A0A3Q0KNU0_SCHMA Loading...

Glycine amidinotransferase

Catalyzes the biosynthesis of guanidinoacetate, the immediate precursor of creatine. Creatine plays a vital role in energy metabolism in muscle tissues. May play a role in embryonic and central nervous system development.

AlphaFold DB , UniProt , Accession A0A3Q0KNU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	42.8	Very low	223 Å²	223	168.9 Å²	168.9	100%	1.099	84%	0.842	S	S	*	*				0	16.8	0	-87.3	-165.8	-89.5	0	0	114.1	S3	M1-S3 PolarHBondContact O-N 3.28Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2	A	36.8	Very low	42.5	Very low	113 Å²	113	171 Å²	171	93%	0.934	85%	0.847	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	13.2	-176	0	0	0	0	0	115.3
3	S	42.5	Very low	42	Very low	110 Å²	110	165.8 Å²	165.8	77%	0.769	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	4.3	-177.2	61.4	0	0	0	0	115.1	M1	M1-S3 PolarHBondContact O-N 3.28Å; M1-S3 VanDerWaalsContact O-N 3.09Å
4	T	45.8	Very low	42	Very low	105 Å²	105	164.6 Å²	164.6	64%	0.644	83%	0.832	S	S	*	*	S	Bend	trans	-104.9	-7.3	-167	-36.3	0	0	0	0	115.1
5	I	46.9	Very low	41.9	Very low	163 Å²	163	166.7 Å²	166.7	84%	0.836	83%	0.834	S	S	*	*	S	Bend	trans	-99.4	-19.7	-171.1	-65.1	177.6	0	0	0	114.6	R7	I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 2.81Å
6	L	42.4	Very low	41.4	Very low	171 Å²	171	170.7 Å²	170.7	90%	0.895	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	5.8	-179.7	-97.6	144	0	0	0	115.4
7	R	43.2	Very low	41.1	Very low	210 Å²	210	169 Å²	169	79%	0.792	84%	0.84	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	4	-177	-113.9	-179	-173.5	-169.1	1.1	116.2	I5	I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 2.81Å
8	K	41.6	Very low	40.9	Very low	191 Å²	191	169.8 Å²	169.8	83%	0.83	84%	0.841	S	S	*	*	S	Bend	trans	-104.5	-5.3	-175	-90.8	-172.9	175.1	-176.5	0	117.4
9	F	42.9	Very low	40.8	Very low	205 Å²	205	168.9 Å²	168.9	90%	0.899	84%	0.84	S	S	*	*	S	Bend	trans	-115.6	-4.4	-179.6	-89.3	-83.2	0	0	0	116.1
10	Y	44.3	Very low	40.5	Very low	201 Å²	201	167.9 Å²	167.9	79%	0.788	84%	0.842	S	S	*	*	S	Bend	trans	-109.1	8.9	-172.4	-142.3	-96.7	0	0	0	115.8
11	Q	45.6	Very low	40.5	Very low	166 Å²	166	165.4 Å²	165.4	78%	0.776	84%	0.836	S	S	*	*	S	Bend	trans	-123.6	8.8	-175.2	-82	-170.5	-24.8	0	0	116.5
12	Q	38.8	Very low	40.4	Very low	194 Å²	194	160.5 Å²	160.5	91%	0.907	82%	0.823	S	S	*	*	S	Bend	trans	-103.7	-2.1	178.1	-89.7	-177.3	-11.3	0	0	116
13	S	36.4	Very low	40.6	Very low	103 Å²	103	160.9 Å²	160.9	72%	0.72	81%	0.814	S	S	*	*	S	Bend	trans	-96.1	6.6	-178.3	46.9	0	0	0	0	116
14	I	42.6	Very low	40.3	Very low	149 Å²	149	161.5 Å²	161.5	76%	0.764	82%	0.816	S	S	*	*	S	Bend	trans	-116.8	29.4	-173.2	-55.1	179.6	0	0	0	113.5
15	K	39.1	Very low	39.9	Very low	197 Å²	197	164.5 Å²	164.5	86%	0.857	83%	0.826	S	S	*	*	S	Bend	trans	-130.6	18.7	-178.1	-97.2	-171.5	178.3	-176.2	0	118.7
16	Y	34.1	Very low	39.3	Very low	230 Å²	230	166 Å²	166	90%	0.902	83%	0.826	S	S	*	*			trans	-137.8	64.1	178.4	-103.9	-88	0	0	0	113.1
17	V	36.3	Very low	39.1	Very low	142 Å²	142	164 Å²	164	86%	0.861	82%	0.821	S	S	*	*			trans	-147	79.3	159.6	-167.9	0	0	0	0	109.2
18	Q	38.8	Very low	38.6	Very low	184 Å²	184	160.2 Å²	160.2	86%	0.86	82%	0.822	S	S	*	*			trans	-138.6	137.6	159.2	-78.1	-172.3	-27.5	0	0	107.6
19	N	37.5	Very low	38.3	Very low	153 Å²	153	156.5 Å²	156.5	82%	0.818	82%	0.82	S	S	*	*			trans	80.1	86.1	179.5	-55.3	-21.4	0	0	0	116.3
20	V	35.1	Very low	37.8	Very low	148 Å²	148	151.7 Å²	151.7	90%	0.897	81%	0.812	S	S	*	*			trans	-121	96.6	149	-175.8	0	0	0	0	107.4
21	T	40.2	Very low	37.3	Very low	116 Å²	116	149.6 Å²	149.6	71%	0.712	81%	0.813	S	S	*	*			trans	-78.1	145.5	165.9	40.5	0	0	0	0	109.9
22	S	38.1	Very low	36.9	Very low	119 Å²	119	153 Å²	153	83%	0.832	82%	0.821	S	S	*	*			trans	-33.6	128.9	178.2	53.9	0	0	0	0	116.3
23	V	39.5	Very low	36.7	Very low	121 Å²	121	147.9 Å²	147.9	73%	0.733	81%	0.806	S	S	*	*			trans	-120.4	126.8	162.6	-179.3	0	0	0	0	107.9
24	P	36.5	Very low	36.9	Very low	124 Å²	124	148.7 Å²	148.7	81%	0.805	81%	0.807	S	S	*	*			trans	-79.9	128.5	178.1	31.3	-31	0	0	0	110.7
25	I	37.4	Very low	36.7	Very low	168 Å²	168	148.4 Å²	148.4	86%	0.862	81%	0.807	S	S	*	*			trans	-89.2	109.6	176.4	-59.6	173.7	0	0	0	109.3
26	K	35.2	Very low	37.2	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	80%	0.797	S	S	*	*			trans	-146	106.3	157.1	-96.5	-170.5	178.4	-179	0	108.2
27	T	36.9	Very low	37.5	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	80%	0.795	S	S	*	*			trans	162.7	119.4	131	27	0	0	0	0	110.8
28	T	33.7	Very low	38.2	Very low	131 Å²	131	141 Å²	141	80%	0.804	78%	0.784	S	S	*	*			trans	7.1	121.8	140.1	53.4	0	0	0	0	118.5
29	S	35	Very low	38.6	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	79%	0.785	S	S	*	*				-166.1	144.3	124.7	60.2	0	0	0	0	110.5
30	S	32.3	Very low	39	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	78%	0.781	S	S	*	*			trans	-33.2	144.1	167.9	53.1	0	0	0	0	115.1
31	L	35	Very low	40.1	Very low	158 Å²	158	142 Å²	142	83%	0.827	78%	0.776	S	S	*	*			trans	174.1	78.4	140.5	-92.2	157.1	0	0	0	109.7
32	Y	36.6	Very low	41.2	Very low	238 Å²	238	145.8 Å²	145.8	93%	0.933	78%	0.783	S	S	*	*			trans	-150.9	60.6	149.8	-74.5	-70.5	0	0	0	107.9
33	S	35.2	Very low	42.8	Very low	86 Å²	86	145.2 Å²	145.2	60%	0.601	77%	0.77	S	S	*	*			trans	-95.1	108	149	157	0	0	0	0	105.1	D35	S33-D35 PolarHBondContact OG-N 3.47Å; S33-D35 PolarHBondContact OG-OD2 2.68Å
34	T	40.4	Very low	45.1	Very low	119 Å²	119	148 Å²	148	73%	0.73	77%	0.772	S	S	*	*			trans	-107	73.3	156.2	52.6	0	0	0	0	106	V36	T34-V36 PolarHBondContact O-N 2.87Å
35	D	38.2	Very low	47.9	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	74%	0.738	S	S	*	*			trans	-69.7	74.3	160.7	-69.5	-47.7	0	0	0	107.9	S33 E37	S33-D35 PolarHBondContact OG-N 3.47Å; S33-D35 PolarHBondContact OG-OD2 2.68Å; D35-E37 VanDerWaalsContact C-N 3.31Å; D35-E37 PolarHBondContact O-N 3.02Å
36	V	48.5	Very low	50.7	Low	107 Å²	107	135.4 Å²	135.4	65%	0.648	70%	0.701	S	S	*	*			trans	-80.3	93.5	156.5	-172.5	0	0	0	0	104.6	T34 L38	T34-V36 PolarHBondContact O-N 2.87Å; V36-L38 HydrophobicContact CG1-CD1 4.48Å; V36-L38 HydrophobicContact CG1-CG 3.87Å; V36-L38 PolarHBondContact O-N 2.86Å
37	E	40.7	Very low	53.7	Low	183 Å²	183	126.1 Å²	126.1	86%	0.855	66%	0.661	S	S	*	*			trans	-62.3	80.3	159.5	-85.2	-169	151.9	0	0	108.1	D35 K39	D35-E37 VanDerWaalsContact C-N 3.31Å; D35-E37 PolarHBondContact O-N 3.02Å; E37-K39 VanDerWaalsContact C-N 3.34Å; E37-K39 PolarHBondContact O-N 2.91Å
38	L	51.1	Low	56.6	Low	122 Å²	122	122 Å²	122	64%	0.639	63%	0.634	S	S	*	*			trans	-64.3	105.1	158.1	-80.3	159.3	0	0	0	104.8	V36 Q40	V36-L38 HydrophobicContact CG1-CD1 4.48Å; V36-L38 HydrophobicContact CG1-CG 3.87Å; V36-L38 PolarHBondContact O-N 2.86Å; L38-Q40 HydrophobicContact CB-CG 3.92Å; L38-Q40 PolarHBondContact O-N 2.77Å
39	K	47.1	Very low	59.7	Low	202 Å²	202	115.8 Å²	115.8	88%	0.878	60%	0.596	S	S	*	*			trans	-55.8	85.6	156.7	-78.3	-175.1	176.6	179.4	0	107	E37 N41	E37-K39 VanDerWaalsContact C-N 3.34Å; E37-K39 PolarHBondContact O-N 2.91Å; K39-N41 PolarHBondContact O-N 2.74Å
40	Q	47.3	Very low	62.7	Low	154 Å²	154	112 Å²	112	72%	0.72	57%	0.565	S	S	*	*			trans	-76.1	79.2	179.8	-75.7	-176	3.9	0	0	107.7	L38 K42	L38-Q40 HydrophobicContact CB-CG 3.92Å; L38-Q40 PolarHBondContact O-N 2.77Å; Q40-K42 PolarHBondContact O-N 3.24Å
41	N	57.4	Low	65.9	Low	150 Å²	150	107.1 Å²	107.1	80%	0.802	53%	0.53	S	S	*	.			trans	-58.8	100.2	141.3	-86	-12.1	0	0	0	104.5	K39 L43	K39-N41 PolarHBondContact O-N 2.74Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.05Å
42	K	63.9	Low	68.9	Low	196 Å²	196	99.9 Å²	99.9	85%	0.852	49%	0.492	S	S	*	.			trans	-57.8	98.6	-176	-166.5	175.7	-175.6	177.8	0	107.4	Q40 K44	Q40-K42 PolarHBondContact O-N 3.24Å; K42-K44 PolarHBondContact O-N 3.4Å
43	L	71.9	Confident	71.9	Confident	108 Å²	108	88.6 Å²	88.6	57%	0.565	45%	0.448	S	S	*	.			trans	-56	128.3	179.9	-68.6	172.3	0	0	0	107.2	N41 S45 Q191	N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.05Å; L43-S45 PolarHBondContact O-N 3.11Å; L43-Q191 WeakPolarHBondContact CB-O 3.46Å
44	K	86.8	Confident	74.9	Confident	180 Å²	180	85 Å²	85	78%	0.783	42%	0.422	S	S	*	.			trans	-72.3	102.5	172.7	-175.6	-179.7	-179.1	-176.4	0	106.8	K42	K42-K44 PolarHBondContact O-N 3.4Å
45	S	94.4	Very high	77.7	Confident	13 Å²	13	81.6 Å²	81.6	9%	0.091	40%	0.402	C	S	.	.			trans	-44.7	129.6	-178.6	171.5	0	0	0	0	111.4	L43 V47 A193 R397	L43-S45 PolarHBondContact O-N 3.11Å; S45-V47 WeakPolarHBondContact CB-O 3.32Å; S45-V47 PolarHBondContact O-N 3.05Å; S45-V47 PolarHBondContact OG-N 2.95Å; S45-V47 PolarHBondContact OG-O 3.28Å; S45-A193 WeakPolarHBondContact OG-CA 3.44Å; S45-R397 PolarHBondContact O-NH2 3.45Å
46	P	96.3	Very high	80.6	Confident	13 Å²	13	75.4 Å²	75.4	8%	0.084	37%	0.369	C	S	.	.	S	Bend	trans	-68.2	-16.8	171.1	31.1	-37.6	0	0	0	111.9	Y188 Q191 R397	P46-Y188 HydrophobicContact CB-CD1 4.15Å; P46-Y188 HydrophobicContact CG-CD1 3.69Å; P46-Q191 WeakPolarHBondContact CD-O 3.49Å; P46-Q191 HydrophobicContact CG-CB 3.62Å; P46-R397 WeakPolarHBondContact O-CD 3.21Å; P46-R397 PolarHBondContact O-NE 3.21Å
47	V	98.6	Very high	83	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.352	C	S	.	.			trans	-89	123.1	173.1	-175.8	0	0	0	0	108.4	S45 I159 D162 I164 Y188 A193 I396	S45-V47 WeakPolarHBondContact CB-O 3.32Å; S45-V47 PolarHBondContact O-N 3.05Å; S45-V47 PolarHBondContact OG-N 2.95Å; S45-V47 PolarHBondContact OG-O 3.28Å; V47-I159 HydrophobicContact CG1-CD1 4.43Å; V47-I159 HydrophobicContact CG1-CG2 3.63Å; V47-D162 WeakPolarHBondContact O-CA 3.32Å; V47-I164 HydrophobicContact CB-CG1 4.46Å; V47-I164 HydrophobicContact CG1-CG1 3.98Å; V47-I164 HydrophobicContact CG2-CD1 3.74Å; V47-I164 HydrophobicContact CG2-CG1 3.8Å; V47-Y188 HydrophobicContact CG2-CD1 4.13Å; V47-Y188 HydrophobicContact CG2-CD2 4.33Å; V47-Y188 HydrophobicContact CG2-CG 3.84Å; V47-A193 HydrophobicContact CB-CB 3.91Å; V47-A193 HydrophobicContact CG2-CB 3.43Å; V47-A193 VanDerWaalsContact CG2-CB 3.43Å; V47-I396 WeakPolarHBondContact CA-O 3.44Å; V47-I396 HydrophobicContact CB-CG2 4.34Å; V47-I396 HydrophobicContact CG1-CG2 4.45Å; V47-I396 HydrophobicContact CG2-CG2 3.92Å
48	N	98.3	Very high	85.7	Confident	42 Å²	42	65.2 Å²	65.2	23%	0.225	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-160.1	94.8	171.8	-159	-106.4	0	0	0	111.2	W50 G161 I396 R397 R398	N48-W50 PolarHBondContact OD1-NE1 3.03Å; N48-G161 WeakPolarHBondContact CA-O 3.45Å; N48-I396 PolarHBondContact N-O 3.18Å; N48-R397 CarbonylContact O-C 3.55Å; N48-R397 VanDerWaalsContact O-CA 3.28Å; N48-R397 WeakPolarHBondContact O-CA 3.48Å; N48-R398 PolarHBondContact O-N 2.98Å; N48-R398 VanDerWaalsContact O-O 3.12Å
49	S	98.7	Very high	88	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-142.6	125.6	173.9	-179.6	0	0	0	0	111.3	N51 G161 R243 D395	S49-N51 PolarHBondContact OG-O 3.04Å; S49-G161 PolarHBondContact N-O 2.98Å; S49-G161 VanDerWaalsContact N-O 3.11Å; S49-G161 WeakPolarHBondContact O-CA 3.41Å; S49-G161 PolarHBondContact O-N 3.25Å; S49-R243 PolarHBondContact O-NH1 3.24Å; S49-R243 VanDerWaalsContact O-NH1 3.13Å; S49-R243 PolarHBondContact OG-NH1 3.48Å; S49-R243 PolarHBondContact OG-NH2 2.94Å; S49-D395 WeakPolarHBondContact CB-O 3.48Å; S49-D395 PolarHBondContact OG-OD2 3.27Å
50	W	98.6	Very high	90.5	Very high	34 Å²	34	49.9 Å²	49.9	13%	0.129	24%	0.242	C	C	.	.			trans	-111.4	-20.6	-174.4	-63.9	107.9	0	0	0	114	N48 V160 G161 G245 I273 L402	N48-W50 PolarHBondContact OD1-NE1 3.03Å; W50-V160 HydrophobicContact CZ3-CG1 4.46Å; W50-G161 VanDerWaalsContact CE2-CA 3.45Å; W50-G161 VanDerWaalsContact CZ2-CA 3.47Å; W50-G245 VanDerWaalsContact O-CA 3.29Å; W50-G245 WeakPolarHBondContact O-CA 3.25Å; W50-G245 PolarHBondContact O-N 3.37Å; W50-I273 HydrophobicContact CZ3-CD1 4.04Å; W50-L402 HydrophobicContact CD2-CB 3.91Å; W50-L402 HydrophobicContact CD2-CD1 4.1Å; W50-L402 HydrophobicContact CE3-CB 4.16Å; W50-L402 HydrophobicContact CE3-CD1 3.64Å; W50-L402 HydrophobicContact CE3-CD2 4.43Å; W50-L402 HydrophobicContact CE3-CG 4.28Å; W50-L402 HydrophobicContact CG-CB 4.38Å; W50-L402 HydrophobicContact CH2-CB 4.33Å; W50-L402 HydrophobicContact CH2-CD2 4.1Å; W50-L402 HydrophobicContact CZ2-CB 4.13Å; W50-L402 HydrophobicContact CZ3-CB 4.36Å; W50-L402 HydrophobicContact CZ3-CD1 3.99Å; W50-L402 HydrophobicContact CZ3-CD2 3.99Å; W50-L402 HydrophobicContact CZ3-CG 4.34Å
51	N	98.8	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-151.4	178.1	-174.3	59.1	46.5	0	0	0	109.7	S49 W53 D54 R243 R398 Y405	S49-N51 PolarHBondContact OG-O 3.04Å; N51-W53 HydrophobicContact CB-CD2 4.01Å; N51-W53 HydrophobicContact CB-CE3 4.1Å; N51-W53 HydrophobicContact CB-CH2 3.85Å; N51-W53 HydrophobicContact CB-CZ2 3.73Å; N51-W53 HydrophobicContact CB-CZ3 3.99Å; N51-W53 PolarHBondContact OD1-N 3.48Å; N51-D54 PolarHBondContact ND2-OD2 2.97Å; N51-D54 WeakPolarHBondContact OD1-CB 3.37Å; N51-D54 VanDerWaalsContact OD1-CG 3.31Å; N51-D54 PolarHBondContact OD1-N 2.72Å; N51-D54 PolarHBondContact OD1-OD2 2.91Å; N51-R243 PolarHBondContact O-NH2 2.9Å; N51-R398 WeakPolarHBondContact O-CD 3.27Å; N51-R398 PolarHBondContact O-NE 3.14Å; N51-Y405 HydrophobicContact CB-CE2 4.49Å; N51-Y405 PolarHBondContact ND2-OH 3.09Å; N51-Y405 VanDerWaalsContact ND2-OH 3.13Å
52	E	98.7	Very high	94.9	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.033	17%	0.17	C	C	.	.	S	Bend	trans	-90.6	1.9	-175.5	-50.4	-49.4	153	0	0	114.8	R154 I242 R243 M348 H390 R398	E52-R154 IonicContact OE2-NH1 2.75Å; E52-I242 HydrophobicContact CG-CD1 4.28Å; E52-I242 HydrophobicContact CG-CG1 3.67Å; E52-R243 VanDerWaalsContact CD-NH2 3.31Å; E52-R243 VanDerWaalsContact OE1-CB 3.25Å; E52-R243 WeakPolarHBondContact OE1-CB 3.42Å; E52-R243 WeakPolarHBondContact OE1-CG 3.44Å; E52-R243 IonicContact OE1-CZ 3.58Å; E52-R243 PolarHBondContact OE1-N 2.99Å; E52-R243 IonicContact OE1-NE 3.71Å; E52-R243 PolarHBondContact OE1-NE 3.49Å; E52-R243 IonicContact OE1-NH2 2.76Å; E52-R243 PolarHBondContact OE1-NH2 3.45Å; E52-R243 IonicContact OE2-CZ 3.96Å; E52-R243 IonicContact OE2-NE 3.13Å; E52-R243 IonicContact OE2-NH2 3.23Å; E52-R243 PolarHBondContact OE2-NH2 3.33Å; E52-M348 WeakPolarHBondContact O-CB 3.17Å; E52-H390 IonicContact OE2-NE2 3.7Å; E52-R398 PolarHBondContact O-NH1 3.35Å; E52-R398 PolarHBondContact O-NH2 3.33Å
53	W	98.7	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-138.3	-9	-164.1	60.2	71.2	0	0	0	116.7	N51 A244 L294 V295 P297 W319 M348 D350 Q351 Y405	N51-W53 HydrophobicContact CB-CD2 4.01Å; N51-W53 HydrophobicContact CB-CE3 4.1Å; N51-W53 HydrophobicContact CB-CH2 3.85Å; N51-W53 HydrophobicContact CB-CZ2 3.73Å; N51-W53 HydrophobicContact CB-CZ3 3.99Å; N51-W53 PolarHBondContact OD1-N 3.48Å; W53-A244 HydrophobicContact CH2-CB 3.73Å; W53-A244 HydrophobicContact CZ3-CB 4.3Å; W53-L294 HydrophobicContact CE3-CB 4.16Å; W53-L294 HydrophobicContact CZ3-CB 3.66Å; W53-L294 HydrophobicContact CZ3-CD1 4.15Å; W53-V295 WeakPolarHBondContact CB-O 3.33Å; W53-P297 HydrophobicContact CZ2-CG 4.05Å; W53-W319 AromaticContact CH2-CH2 3.76Å; W53-W319 HydrophobicContact CH2-CH2 3.76Å; W53-W319 HydrophobicContact CH2-CZ2 4.21Å; W53-W319 HydrophobicContact CZ3-CH2 4.02Å; W53-M348 HydrophobicContact CB-CB 4.44Å; W53-D350 CarbonylContact O-C 3.59Å; W53-D350 WeakPolarHBondContact O-CA 3.43Å; W53-Q351 HydrophobicContact CB-CG 4.37Å; W53-Q351 HydrophobicContact CG-CG 4.3Å; W53-Q351 PolarHBondContact O-N 2.73Å; W53-Q351 VanDerWaalsContact O-N 3.17Å; W53-Y405 AromaticContact CH2-CD2 3.98Å; W53-Y405 HydrophobicContact CH2-CD2 3.98Å; W53-Y405 HydrophobicContact CH2-CE2 4.16Å; W53-Y405 HydrophobicContact CH2-CG 4.44Å; W53-Y405 HydrophobicContact CZ2-CD1 4.2Å; W53-Y405 AromaticContact CZ2-CD2 3.62Å; W53-Y405 HydrophobicContact CZ2-CD2 3.62Å; W53-Y405 HydrophobicContact CZ2-CE1 4.1Å; W53-Y405 AromaticContact CZ2-CE2 3.49Å; W53-Y405 HydrophobicContact CZ2-CE2 3.49Å; W53-Y405 VanDerWaalsContact CZ2-CE2 3.49Å; W53-Y405 AromaticContact CZ2-CG 3.97Å; W53-Y405 HydrophobicContact CZ2-CG 3.97Å; W53-Y405 AromaticContact CZ2-CZ 3.74Å
54	D	98.8	Very high	97.7	Very high	11 Å²	11	21.3 Å²	21.3	6%	0.059	11%	0.105	C	C	.	.	S	Bend	trans	-63.8	154.4	172.8	-78.2	-17.1	0	0	0	110.6	N51 L56 R398 G400	N51-D54 PolarHBondContact ND2-OD2 2.97Å; N51-D54 WeakPolarHBondContact OD1-CB 3.37Å; N51-D54 VanDerWaalsContact OD1-CG 3.31Å; N51-D54 PolarHBondContact OD1-N 2.72Å; N51-D54 PolarHBondContact OD1-OD2 2.91Å; D54-L56 PolarHBondContact O-N 2.82Å; D54-L56 VanDerWaalsContact O-N 3.11Å; D54-R398 HydrophobicContact CB-CB 3.77Å; D54-R398 WeakPolarHBondContact O-CD 3.44Å; D54-R398 WeakPolarHBondContact O-CG 3.24Å; D54-R398 PolarHBondContact O-NH1 3.5Å; D54-G400 WeakPolarHBondContact OD2-CA 3.27Å
55	P	98.8	Very high	98.2	Very high	47 Å²	47	17.3 Å²	17.3	31%	0.305	9%	0.089	S	C	.	.	P	Polyproline II helix	trans	-52.4	118.9	-175.2	-26.9	34.1	0	0	0	113	L349 D350 R398 Q399	P55-L349 CarbonylContact C-O 3.58Å; P55-L349 WeakPolarHBondContact CA-O 3.07Å; P55-D350 HydrophobicContact CB-CB 4.34Å; P55-D350 HydrophobicContact CG-CB 4.22Å; P55-R398 CarbonylContact O-C 3.48Å; P55-R398 WeakPolarHBondContact O-CA 3.22Å; P55-Q399 HydrophobicContact CB-CB 4.18Å; P55-Q399 PolarHBondContact O-N 3.06Å
56	L	98.9	Very high	98.2	Very high	14 Å²	14	22.3 Å²	22.3	7%	0.073	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.5	-175.5	-175	65	0	0	0	111.4	D54 I59 I124 L347 L349 D395 R398	D54-L56 PolarHBondContact O-N 2.82Å; D54-L56 VanDerWaalsContact O-N 3.11Å; L56-I59 HydrophobicContact CD1-CB 4.34Å; L56-I59 HydrophobicContact CD1-CD1 4.26Å; L56-I59 HydrophobicContact CD2-CB 4.27Å; L56-I59 HydrophobicContact CD2-CD1 3.54Å; L56-I59 HydrophobicContact CG-CD1 4.49Å; L56-I124 HydrophobicContact CB-CD1 4.35Å; L56-I124 HydrophobicContact CB-CG1 4.32Å; L56-I124 HydrophobicContact CD2-CD1 3.78Å; L56-I124 HydrophobicContact CD2-CG1 4.22Å; L56-I124 HydrophobicContact CD2-CG2 4.03Å; L56-I124 HydrophobicContact CG-CD1 4.25Å; L56-I124 HydrophobicContact CG-CG1 4.18Å; L56-I124 HydrophobicContact CG-CG2 3.98Å; L56-L347 HydrophobicContact CD2-CD2 4.39Å; L56-L349 WeakPolarHBondContact CB-O 3.5Å; L56-L349 HydrophobicContact CD2-CD2 4.02Å; L56-L349 PolarHBondContact N-O 2.84Å; L56-D395 HydrophobicContact CD1-CB 3.55Å; L56-R398 HydrophobicContact CD1-CG 4.02Å
57	E	98.8	Very high	98.3	Very high	64 Å²	64	21.8 Å²	21.8	30%	0.299	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-41.9	179.1	-59.5	-175.1	158.1	0	0	112.1	K125 R397 Q399	E57-K125 PolarHBondContact O-N 2.76Å; E57-R397 HydrophobicContact CB-CB 4.23Å; E57-R397 HydrophobicContact CB-CG 3.9Å; E57-R397 HydrophobicContact CG-CG 4.38Å; E57-R397 PolarHBondContact N-O 3.44Å; E57-R397 WeakPolarHBondContact OE2-CD 3.5Å; E57-R397 VanDerWaalsContact OE2-CG 3.22Å; E57-R397 WeakPolarHBondContact OE2-CG 3.31Å; E57-R397 IonicContact OE2-CZ 3.7Å; E57-R397 IonicContact OE2-NE 3.86Å; E57-R397 IonicContact OE2-NH1 3.88Å; E57-R397 PolarHBondContact OE2-NH1 3.47Å; E57-Q399 HydrophobicContact CG-CB 4.34Å; E57-Q399 WeakPolarHBondContact OE1-CB 3.36Å
58	E	98.8	Very high	98.3	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.061	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.7	-178	-175	168.2	168.3	0	0	111.6	K125 Y188 I396 R397	E58-K125 VanDerWaalsContact CA-O 3.31Å; E58-K125 WeakPolarHBondContact CA-O 2.96Å; E58-K125 HydrophobicContact CB-CB 4.26Å; E58-K125 HydrophobicContact CG-CB 4.17Å; E58-K125 HydrophobicContact CG-CD 4.07Å; E58-K125 HydrophobicContact CG-CG 4.12Å; E58-K125 WeakPolarHBondContact OE1-CE 3.28Å; E58-K125 IonicContact OE1-NZ 2.65Å; E58-K125 PolarHBondContact OE1-NZ 3.19Å; E58-K125 WeakPolarHBondContact OE2-CD 3.12Å; E58-K125 IonicContact OE2-NZ 2.78Å; E58-K125 PolarHBondContact OE2-NZ 3.04Å; E58-Y188 VanDerWaalsContact OE1-CE1 3.24Å; E58-Y188 WeakPolarHBondContact OE1-CE1 3.2Å; E58-Y188 PolarHBondContact OE1-OH 3.37Å; E58-I396 HydrophobicContact CB-CB 4.45Å; E58-I396 HydrophobicContact CG-CB 4.29Å; E58-I396 PolarHBondContact O-N 3.02Å; E58-R397 HydrophobicContact CB-CB 3.88Å; E58-R397 PolarHBondContact N-O 3.01Å; E58-R397 PolarHBondContact O-N 2.91Å; E58-R397 VanDerWaalsContact O-N 3.08Å
59	I	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.3	-174.3	-164.2	156.2	0	0	0	111.9	L56 V61 L119 I124 K125 V126 V127 L347 T393 C394	L56-I59 HydrophobicContact CD1-CB 4.34Å; L56-I59 HydrophobicContact CD1-CD1 4.26Å; L56-I59 HydrophobicContact CD2-CB 4.27Å; L56-I59 HydrophobicContact CD2-CD1 3.54Å; L56-I59 HydrophobicContact CG-CD1 4.49Å; I59-V61 HydrophobicContact CG2-CG2 4.37Å; I59-L119 HydrophobicContact CG2-CD1 4.09Å; I59-I124 HydrophobicContact CB-CG2 4.23Å; I59-I124 HydrophobicContact CG2-CG2 3.58Å; I59-K125 PolarHBondContact N-O 3.25Å; I59-V126 HydrophobicContact CG2-CG2 4.03Å; I59-V126 WeakPolarHBondContact O-CA 3.31Å; I59-V127 WeakPolarHBondContact O-CG2 3.44Å; I59-V127 PolarHBondContact O-N 2.75Å; I59-L347 HydrophobicContact CD1-CD1 4.07Å; I59-L347 HydrophobicContact CD1-CD2 3.69Å; I59-T393 HydrophobicContact CD1-CG2 3.91Å; I59-T393 HydrophobicContact CG1-CG2 4.25Å; I59-C394 WeakPolarHBondContact CG1-O 3.39Å
60	I	98.8	Very high	98.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.2	163.9	-60.2	172.2	0	0	0	108.2	V127 P153 L157 Y181 L184 T393 C394 I396	I60-V127 WeakPolarHBondContact CA-O 3.36Å; I60-V127 HydrophobicContact CB-CG2 4.31Å; I60-V127 HydrophobicContact CG1-CG2 3.61Å; I60-P153 HydrophobicContact CB-CB 4.42Å; I60-P153 HydrophobicContact CG2-CB 3.94Å; I60-P153 HydrophobicContact CG2-CG 4.13Å; I60-L157 HydrophobicContact CD1-CD1 3.56Å; I60-Y181 HydrophobicContact CG2-CE1 4.21Å; I60-L184 HydrophobicContact CD1-CD1 3.79Å; I60-L184 HydrophobicContact CG1-CD1 3.98Å; I60-L184 HydrophobicContact CG2-CD1 4.21Å; I60-T393 CarbonylContact O-C 3.55Å; I60-T393 WeakPolarHBondContact O-CA 3.24Å; I60-C394 HydrophobicContact CB-CB 4.29Å; I60-C394 PolarHBondContact N-O 2.86Å; I60-C394 PolarHBondContact O-N 3.34Å; I60-I396 HydrophobicContact CD1-CD1 3.69Å; I60-I396 HydrophobicContact CD1-CG1 4.11Å; I60-I396 HydrophobicContact CG1-CD1 3.97Å; I60-I396 HydrophobicContact CG1-CG1 3.81Å
61	V	98.9	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	165.6	-179.8	0	0	0	0	108.4	I59 V112 F115 V116 L119 V126 V127 R128 P129 T393	I59-V61 HydrophobicContact CG2-CG2 4.37Å; V61-V112 HydrophobicContact CG1-CG1 4.3Å; V61-F115 HydrophobicContact CG1-CD1 4.27Å; V61-F115 HydrophobicContact CG1-CE1 4.38Å; V61-F115 HydrophobicContact CG2-CE1 4.41Å; V61-V116 HydrophobicContact CB-CG2 4.05Å; V61-V116 HydrophobicContact CG1-CG2 3.78Å; V61-V116 HydrophobicContact CG2-CG2 4.24Å; V61-L119 HydrophobicContact CG2-CD1 3.65Å; V61-V126 HydrophobicContact CB-CG1 3.99Å; V61-V126 HydrophobicContact CG2-CG1 3.56Å; V61-V127 PolarHBondContact N-O 3.15Å; V61-R128 VanDerWaalsContact O-CD 3.28Å; V61-R128 WeakPolarHBondContact O-CD 3.46Å; V61-R128 PolarHBondContact O-NE 3.05Å; V61-P129 WeakPolarHBondContact O-CD 3.34Å; V61-T393 HydrophobicContact CG2-CG2 4.04Å
62	G	98.7	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.116	C	C	.	.			trans	-63.2	174.5	-179.2	0	0	0	0	0	114.3	R128 A150 A151 W392	G62-R128 PolarHBondContact O-NE 3.41Å; G62-R128 PolarHBondContact O-NH2 3.36Å; G62-A150 CarbonylContact C-O 3.55Å; G62-A150 WeakPolarHBondContact CA-O 3.35Å; G62-A151 WeakPolarHBondContact CA-O 3.49Å; G62-W392 PolarHBondContact N-O 3.19Å
63	T	98	Very high	97.9	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.025	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-127.6	137.7	176.9	-174.4	0	0	0	0	111.5	E65 P129 A150 A151	T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 HydrophobicContact CG2-CB 4.47Å; T63-E65 WeakPolarHBondContact OG1-CB 3.41Å; T63-E65 WeakPolarHBondContact OG1-CG 3.45Å; T63-E65 PolarHBondContact OG1-N 2.88Å; T63-P129 HydrophobicContact CG2-CG 4.02Å; T63-A150 HydrophobicContact CG2-CB 4.06Å; T63-A150 PolarHBondContact N-O 2.98Å; T63-A150 CarbonylContact O-C 3.34Å; T63-A151 WeakPolarHBondContact O-CA 3.17Å; T63-A151 PolarHBondContact O-N 2.88Å
64	P	97.1	Very high	97.7	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.032	13%	0.133	C	C	.	.			trans	-80.8	-7.8	170.6	33.9	-34.5	0	0	0	112.9	Y66 A67 W105 L108 W392	P64-Y66 PolarHBondContact O-N 3.3Å; P64-A67 WeakPolarHBondContact O-CB 3.42Å; P64-A67 PolarHBondContact O-N 3.47Å; P64-W105 HydrophobicContact CB-CH2 3.71Å; P64-W105 HydrophobicContact CB-CZ2 4.12Å; P64-W105 HydrophobicContact CB-CZ3 4.37Å; P64-W105 VanDerWaalsContact O-CH2 3.25Å; P64-W105 WeakPolarHBondContact O-CH2 3.45Å; P64-L108 HydrophobicContact CB-CD2 3.56Å; P64-L108 HydrophobicContact CG-CD2 3.88Å; P64-W392 HydrophobicContact CB-CH2 4.19Å
65	E	96	Very high	97.5	Very high	96 Å²	96	27.7 Å²	27.7	45%	0.449	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	132.6	-176.6	-71.2	-177.2	-153	0	0	111.9	T63 A67 P131	T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 HydrophobicContact CG2-CB 4.47Å; T63-E65 WeakPolarHBondContact OG1-CB 3.41Å; T63-E65 WeakPolarHBondContact OG1-CG 3.45Å; T63-E65 PolarHBondContact OG1-N 2.88Å; E65-A67 PolarHBondContact O-N 3.45Å; E65-P131 HydrophobicContact CB-CB 4.05Å; E65-P131 HydrophobicContact CB-CG 4.42Å; E65-P131 WeakPolarHBondContact OE2-CB 3.47Å; E65-P131 WeakPolarHBondContact OE2-CG 3.25Å
66	Y	96	Very high	97.4	Very high	118 Å²	118	25.5 Å²	25.5	46%	0.463	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	17	-176.4	-50.4	-66.8	0	0	0	115.9	P64 T68 Y95 P131 V132 D133	P64-Y66 PolarHBondContact O-N 3.3Å; Y66-T68 PolarHBondContact O-N 2.78Å; Y66-T68 PolarHBondContact O-OG1 3.31Å; Y66-Y95 HydrophobicContact CD1-CE1 4.29Å; Y66-P131 HydrophobicContact CD2-CB 3.85Å; Y66-P131 HydrophobicContact CE2-CB 3.83Å; Y66-V132 WeakPolarHBondContact CB-O 3.11Å; Y66-D133 HydrophobicContact CG-CB 4.48Å
67	A	97.3	Very high	97.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	13%	0.129	C	C	.	.			trans	-55	132.3	173.3	0	0	0	0	0	109.9	P64 E65 Y95 W96 W105 Y149	P64-A67 WeakPolarHBondContact O-CB 3.42Å; P64-A67 PolarHBondContact O-N 3.47Å; E65-A67 PolarHBondContact O-N 3.45Å; A67-Y95 WeakPolarHBondContact O-CA 3.2Å; A67-W96 VanDerWaalsContact C-CD1 3.45Å; A67-W96 HydrophobicContact CB-CG 4.36Å; A67-W96 PolarHBondContact O-N 3.19Å; A67-W105 HydrophobicContact CB-CH2 4.2Å; A67-Y149 HydrophobicContact CB-CD2 4.3Å
68	T	97.7	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-118.7	141.6	-175.9	-61.7	0	0	0	0	109.9	Y66 K94 W96 R135 Q146 F148	Y66-T68 PolarHBondContact O-N 2.78Å; Y66-T68 PolarHBondContact O-OG1 3.31Å; T68-K94 CarbonylContact C-O 3.24Å; T68-K94 WeakPolarHBondContact CA-O 3.4Å; T68-K94 WeakPolarHBondContact CG2-O 3.23Å; T68-W96 PolarHBondContact O-NE1 2.65Å; T68-W96 VanDerWaalsContact O-NE1 3.15Å; T68-R135 HydrophobicContact CG2-CB 4.48Å; T68-R135 PolarHBondContact OG1-N 2.65Å; T68-Q146 HydrophobicContact CG2-CG 3.71Å; T68-F148 PolarHBondContact N-O 3.33Å; T68-F148 VanDerWaalsContact O-CD2 3.3Å; T68-F148 WeakPolarHBondContact O-CD2 3.47Å
69	V	98.1	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-70.4	125.3	174.3	-179	0	0	0	0	108.4	F87 Y88 N91 G93 K94 W96 V99 Q146	V69-F87 HydrophobicContact CG1-CD1 4.46Å; V69-F87 HydrophobicContact CG1-CE1 3.91Å; V69-F87 HydrophobicContact CG2-CE1 3.96Å; V69-F87 HydrophobicContact CG2-CZ 4.07Å; V69-Y88 HydrophobicContact CG1-CD1 3.62Å; V69-Y88 HydrophobicContact CG1-CE1 4.11Å; V69-Y88 HydrophobicContact CG1-CG 4.49Å; V69-N91 WeakPolarHBondContact CB-O 3.38Å; V69-N91 HydrophobicContact CG1-CB 4.39Å; V69-N91 HydrophobicContact CG2-CB 4.34Å; V69-G93 PolarHBondContact O-N 3.04Å; V69-K94 PolarHBondContact N-O 2.89Å; V69-W96 HydrophobicContact CG1-CZ2 4.49Å; V69-W96 HydrophobicContact CG2-CD2 3.71Å; V69-W96 HydrophobicContact CG2-CE3 4.02Å; V69-W96 HydrophobicContact CG2-CG 4.1Å; V69-W96 HydrophobicContact CG2-CH2 4.33Å; V69-W96 HydrophobicContact CG2-CZ2 4.06Å; V69-W96 HydrophobicContact CG2-CZ3 4.31Å; V69-V99 HydrophobicContact CG2-CG2 3.84Å; V69-Q146 PolarHBondContact O-NE2 3.14Å
70	P	97.5	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-68.6	151.5	177.9	30.5	-35.1	0	0	0	110.3	V76 Y88 F148 W171	P70-V76 HydrophobicContact CB-CG2 4.22Å; P70-V76 HydrophobicContact CG-CG1 4.12Å; P70-V76 HydrophobicContact CG-CG2 4.48Å; P70-Y88 HydrophobicContact CG-CD1 4.09Å; P70-Y88 HydrophobicContact CG-CE1 3.88Å; P70-F148 HydrophobicContact CB-CD2 4.41Å; P70-F148 HydrophobicContact CG-CD2 4.08Å; P70-F148 HydrophobicContact CG-CE2 4.01Å; P70-W171 HydrophobicContact CB-CZ3 4.41Å; P70-W171 HydrophobicContact CG-CZ3 3.93Å
71	Y	97.1	Very high	96.2	Very high	109 Å²	109	28 Å²	28	43%	0.427	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-63.9	147.3	168.9	-69	-57.5	0	0	0	109.9	L73 V76 G92 Q146	Y71-L73 PolarHBondContact O-N 2.94Å; Y71-V76 WeakPolarHBondContact O-CG2 3.42Å; Y71-G92 VanDerWaalsContact CE1-O 3.24Å; Y71-G92 WeakPolarHBondContact CE1-O 3.29Å; Y71-Q146 VanDerWaalsContact CE2-CD 3.5Å; Y71-Q146 VanDerWaalsContact N-NE2 3.18Å
72	L	96.6	Very high	95.9	Very high	39 Å²	39	32.6 Å²	32.6	20%	0.204	17%	0.167	C	C	.	.			trans	-75.9	64.4	176.8	-166.5	69.7	0	0	0	111.3	V76 K77 H85 Y88 I89	L72-V76 HydrophobicContact CD1-CG1 4.1Å; L72-K77 HydrophobicContact CD1-CB 4.11Å; L72-K77 HydrophobicContact CG-CB 4.2Å; L72-H85 HydrophobicContact CD2-CB 3.66Å; L72-Y88 HydrophobicContact CD1-CD2 4.2Å; L72-Y88 HydrophobicContact CD1-CG 4.13Å; L72-I89 HydrophobicContact CB-CG1 4.28Å; L72-I89 HydrophobicContact CD2-CD1 3.9Å; L72-I89 HydrophobicContact CD2-CG1 3.69Å
73	L	95.5	Very high	95.7	Very high	48 Å²	48	36.7 Å²	36.7	25%	0.251	20%	0.201	S	C	.	.			trans	-76.5	164.3	171.5	-59.1	-177.9	0	0	0	110.1	Y71 E75 V76 K77 R172	Y71-L73 PolarHBondContact O-N 2.94Å; L73-E75 VanDerWaalsContact CB-OE2 3.28Å; L73-E75 WeakPolarHBondContact CB-OE2 3.41Å; L73-E75 PolarHBondContact O-N 2.91Å; L73-E75 VanDerWaalsContact O-N 3.11Å; L73-V76 PolarHBondContact O-N 3.09Å; L73-K77 PolarHBondContact O-N 2.95Å; L73-R172 HydrophobicContact CD1-CB 4.28Å
74	P	95.4	Very high	95.6	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-49.7	-41.5	-174.9	-29.7	36.2	0	0	0	114	V76 K77 T78 I208 R209	P74-V76 VanDerWaalsContact C-N 3.32Å; P74-V76 PolarHBondContact O-N 3.01Å; P74-K77 PolarHBondContact O-N 3.35Å; P74-T78 PolarHBondContact O-N 2.9Å; P74-T78 PolarHBondContact O-OG1 2.88Å; P74-I208 HydrophobicContact CB-CG2 4.05Å; P74-R209 VanDerWaalsContact CB-O 3.29Å; P74-R209 WeakPolarHBondContact CB-O 3.24Å
75	E	95.5	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-25.7	179.6	68.7	-79.4	-165.8	0	0	114.8	L73 T78 C79 W171 R172 I208 V228	L73-E75 VanDerWaalsContact CB-OE2 3.28Å; L73-E75 WeakPolarHBondContact CB-OE2 3.41Å; L73-E75 PolarHBondContact O-N 2.91Å; L73-E75 VanDerWaalsContact O-N 3.11Å; E75-T78 PolarHBondContact O-OG1 3.45Å; E75-C79 PolarHBondContact O-SG 2.97Å; E75-C79 VanDerWaalsContact O-SG 3.34Å; E75-W171 HydrophobicContact CG-CB 4.37Å; E75-W171 HydrophobicContact CG-CG 3.98Å; E75-W171 PolarHBondContact O-NE1 3.35Å; E75-R172 WeakPolarHBondContact OE1-CB 3.25Å; E75-R172 WeakPolarHBondContact OE1-CD 3.07Å; E75-R172 WeakPolarHBondContact OE1-CG 3.46Å; E75-R172 PolarHBondContact OE1-N 2.89Å; E75-R172 IonicContact OE1-NH1 2.75Å; E75-R172 IonicContact OE2-CZ 3.62Å; E75-R172 IonicContact OE2-NH1 2.79Å; E75-R172 PolarHBondContact OE2-NH1 2.98Å; E75-I208 HydrophobicContact CB-CD1 3.96Å; E75-I208 HydrophobicContact CB-CG2 4.12Å; E75-I208 HydrophobicContact CG-CD1 3.95Å; E75-V228 HydrophobicContact CB-CG2 4.49Å
76	V	96.4	Very high	95.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-82.6	-41.9	172.5	-178.1	0	0	0	0	110.1	P70 Y71 L72 L73 P74 T78 C79 A80 Y88 W171	P70-V76 HydrophobicContact CB-CG2 4.22Å; P70-V76 HydrophobicContact CG-CG1 4.12Å; P70-V76 HydrophobicContact CG-CG2 4.48Å; Y71-V76 WeakPolarHBondContact O-CG2 3.42Å; L72-V76 HydrophobicContact CD1-CG1 4.1Å; L73-V76 PolarHBondContact O-N 3.09Å; P74-V76 VanDerWaalsContact C-N 3.32Å; P74-V76 PolarHBondContact O-N 3.01Å; V76-T78 VanDerWaalsContact C-N 3.28Å; V76-T78 PolarHBondContact O-N 2.8Å; V76-C79 PolarHBondContact O-N 2.89Å; V76-C79 VanDerWaalsContact O-N 3.13Å; V76-A80 WeakPolarHBondContact O-CB 3.11Å; V76-A80 PolarHBondContact O-N 2.9Å; V76-Y88 HydrophobicContact CG1-CD1 4.29Å; V76-Y88 HydrophobicContact CG1-CE1 4.33Å; V76-W171 HydrophobicContact CB-CH2 4.26Å; V76-W171 HydrophobicContact CB-CZ2 4.23Å; V76-W171 HydrophobicContact CG1-CH2 3.88Å; V76-W171 HydrophobicContact CG1-CZ2 4.29Å; V76-W171 HydrophobicContact CG1-CZ3 4.21Å; V76-W171 HydrophobicContact CG2-CD2 3.83Å; V76-W171 HydrophobicContact CG2-CE3 3.79Å; V76-W171 HydrophobicContact CG2-CG 4.5Å; V76-W171 HydrophobicContact CG2-CH2 4.08Å; V76-W171 HydrophobicContact CG2-CZ2 4.11Å; V76-W171 HydrophobicContact CG2-CZ3 3.92Å
77	K	95.7	Very high	95.8	Very high	77 Å²	77	36.8 Å²	36.8	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-55.8	-40.2	-177.8	-176.2	-173.1	172.9	-167.6	0	112.2	L72 L73 P74 H85 E211	L72-K77 HydrophobicContact CD1-CB 4.11Å; L72-K77 HydrophobicContact CG-CB 4.2Å; L73-K77 PolarHBondContact O-N 2.95Å; P74-K77 PolarHBondContact O-N 3.35Å; K77-H85 PolarHBondContact O-NE2 2.86Å; K77-E211 IonicContact NZ-OE1 3Å; K77-E211 PolarHBondContact NZ-OE1 3.49Å; K77-E211 IonicContact NZ-OE2 3.37Å
78	T	93.4	Very high	95.8	Very high	20 Å²	20	36.7 Å²	36.7	12%	0.123	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.1	-179.3	46.5	0	0	0	0	115.1	P74 E75 V76 P212 V228	P74-T78 PolarHBondContact O-N 2.9Å; P74-T78 PolarHBondContact O-OG1 2.88Å; E75-T78 PolarHBondContact O-OG1 3.45Å; V76-T78 VanDerWaalsContact C-N 3.28Å; V76-T78 PolarHBondContact O-N 2.8Å; T78-P212 HydrophobicContact CG2-CG 3.86Å; T78-V228 HydrophobicContact CG2-CG1 3.41Å; T78-V228 VanDerWaalsContact CG2-CG1 3.41Å
79	C	94.1	Very high	95.8	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.081	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-29.1	179	-59.3	0	0	0	0	112.1	E75 V76 W171 Q254 M286	E75-C79 PolarHBondContact O-SG 2.97Å; E75-C79 VanDerWaalsContact O-SG 3.34Å; V76-C79 PolarHBondContact O-N 2.89Å; V76-C79 VanDerWaalsContact O-N 3.13Å; C79-W171 HydrophobicContact CB-CZ2 3.75Å; C79-Q254 VanDerWaalsContact SG-CB 3.57Å; C79-M286 HydrophobicContact CB-SD 3.64Å; C79-M286 PolarHBondContact SG-SD 3.04Å
80	A	93.3	Very high	95.8	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	27%	0.265	C	S	.	.	S	Bend	trans	-77.5	147	175.5	0	0	0	0	0	112	V76 H85 Y88 R284	V76-A80 WeakPolarHBondContact O-CB 3.11Å; V76-A80 PolarHBondContact O-N 2.9Å; A80-H85 PolarHBondContact O-NE2 2.87Å; A80-Y88 HydrophobicContact CB-CD2 4.18Å; A80-Y88 HydrophobicContact CB-CE2 3.66Å; A80-R284 PolarHBondContact O-NH1 3.06Å
81	A	92.1	Very high	95.9	Very high	33 Å²	33	49.5 Å²	49.5	27%	0.273	27%	0.27	S	S	.	.			trans	-65.1	139.9	168.5	0	0	0	0	0	110.2	A83 K84 H85 R284	A81-A83 PolarHBondContact O-N 2.59Å; A81-A83 VanDerWaalsContact O-N 3.17Å; A81-K84 HydrophobicContact CB-CG 4.39Å; A81-K84 WeakPolarHBondContact O-CA 3.24Å; A81-K84 WeakPolarHBondContact O-CB 3.2Å; A81-K84 PolarHBondContact O-N 3.27Å; A81-H85 PolarHBondContact O-CD2 2.82Å; A81-R284 VanDerWaalsContact N-NH1 3.19Å
82	S	92.9	Very high	95.9	Very high	97 Å²	97	45 Å²	45	68%	0.678	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-54.5	-37.1	179.6	53.6	0	0	0	0	112.7	K84 H85	S82-K84 PolarHBondContact O-N 2.85Å; S82-H85 WeakPolarHBondContact O-CB 3.43Å; S82-H85 PolarHBondContact O-N 2.77Å; S82-H85 VanDerWaalsContact O-N 3.08Å
83	A	94.4	Very high	95.9	Very high	86 Å²	86	43.7 Å²	43.7	71%	0.711	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-59.1	-18.3	174.7	0	0	0	0	0	114.3	A81	A81-A83 PolarHBondContact O-N 2.59Å; A81-A83 VanDerWaalsContact O-N 3.17Å
84	K	95.6	Very high	96	Very high	44 Å²	44	46 Å²	46	19%	0.191	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.8	-6.8	179.2	-55.8	-59.2	178	-175.5	0	113.1	A81 S82 N86 F87 Y88 E334 M335	A81-K84 HydrophobicContact CB-CG 4.39Å; A81-K84 WeakPolarHBondContact O-CA 3.24Å; A81-K84 WeakPolarHBondContact O-CB 3.2Å; A81-K84 PolarHBondContact O-N 3.27Å; S82-K84 PolarHBondContact O-N 2.85Å; K84-N86 VanDerWaalsContact C-N 3.3Å; K84-N86 PolarHBondContact O-N 2.87Å; K84-F87 WeakPolarHBondContact O-CB 3.28Å; K84-F87 PolarHBondContact O-N 2.9Å; K84-Y88 HydrophobicContact CB-CD2 4.39Å; K84-Y88 HydrophobicContact CB-CE2 4.03Å; K84-Y88 WeakPolarHBondContact O-CD2 3.39Å; K84-Y88 PolarHBondContact O-N 3.13Å; K84-E334 IonicContact NZ-OE1 3.9Å; K84-E334 IonicContact NZ-OE2 2.94Å; K84-E334 PolarHBondContact NZ-OE2 2.81Å; K84-M335 VanDerWaalsContact CE-O 3.24Å; K84-M335 WeakPolarHBondContact CE-O 3.26Å
85	H	97.2	Very high	96.1	Very high	37 Å²	37	46.9 Å²	46.9	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-43.4	-178.5	-71.3	-178.7	0	0	0	112.7	L72 K77 A80 A81 S82 F87 Y88 I89	L72-H85 HydrophobicContact CD2-CB 3.66Å; K77-H85 PolarHBondContact O-NE2 2.86Å; A80-H85 PolarHBondContact O-NE2 2.87Å; A81-H85 PolarHBondContact O-CD2 2.82Å; S82-H85 WeakPolarHBondContact O-CB 3.43Å; S82-H85 PolarHBondContact O-N 2.77Å; S82-H85 VanDerWaalsContact O-N 3.08Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 3.11Å; H85-Y88 PolarHBondContact O-N 2.76Å; H85-Y88 VanDerWaalsContact O-N 3.14Å; H85-I89 WeakPolarHBondContact O-CG1 3.17Å; H85-I89 PolarHBondContact O-N 2.73Å
86	N	97.9	Very high	96.2	Very high	113 Å²	113	46.9 Å²	46.9	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-60	-35.4	177.3	-75.5	-14.2	0	0	0	113.1	K84 I89 Q90	K84-N86 VanDerWaalsContact C-N 3.3Å; K84-N86 PolarHBondContact O-N 2.87Å; N86-I89 PolarHBondContact O-N 2.55Å; N86-Q90 WeakPolarHBondContact O-CB 3.43Å; N86-Q90 VanDerWaalsContact O-CG 3.27Å; N86-Q90 WeakPolarHBondContact O-CG 3.45Å; N86-Q90 PolarHBondContact O-N 3.47Å
87	F	98.1	Very high	96.2	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-47.1	175.6	170.8	-89.2	0	0	0	111	V69 K84 H85 Q90 N91 W96 V99 I100 W336	V69-F87 HydrophobicContact CG1-CD1 4.46Å; V69-F87 HydrophobicContact CG1-CE1 3.91Å; V69-F87 HydrophobicContact CG2-CE1 3.96Å; V69-F87 HydrophobicContact CG2-CZ 4.07Å; K84-F87 WeakPolarHBondContact O-CB 3.28Å; K84-F87 PolarHBondContact O-N 2.9Å; H85-F87 VanDerWaalsContact C-N 3.27Å; H85-F87 PolarHBondContact O-N 3.11Å; F87-Q90 PolarHBondContact O-N 2.79Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.4Å; F87-N91 HydrophobicContact CZ-CB 4.42Å; F87-N91 VanDerWaalsContact O-CB 3.27Å; F87-N91 WeakPolarHBondContact O-CB 3.44Å; F87-N91 PolarHBondContact O-N 3.45Å; F87-N91 PolarHBondContact O-ND2 2.72Å; F87-N91 VanDerWaalsContact O-ND2 3.1Å; F87-W96 HydrophobicContact CE1-CE3 4.25Å; F87-W96 AromaticContact CE1-CH2 3.62Å; F87-W96 HydrophobicContact CE1-CH2 3.62Å; F87-W96 AromaticContact CE1-CZ3 3.42Å; F87-W96 HydrophobicContact CE1-CZ3 3.42Å; F87-W96 VanDerWaalsContact CE1-CZ3 3.42Å; F87-W96 AromaticContact CZ-CE3 4Å; F87-W96 HydrophobicContact CZ-CE3 4Å; F87-W96 HydrophobicContact CZ-CH2 4.18Å; F87-W96 AromaticContact CZ-CZ3 3.5Å; F87-W96 HydrophobicContact CZ-CZ3 3.5Å; F87-V99 HydrophobicContact CE2-CG2 4.1Å; F87-V99 HydrophobicContact CZ-CG2 3.77Å; F87-I100 HydrophobicContact CE2-CG2 4.26Å; F87-I100 HydrophobicContact CZ-CG2 4.07Å; F87-W336 AromaticContact CD1-CD1 3.7Å; F87-W336 HydrophobicContact CD1-CG 4.36Å; F87-W336 AromaticContact CD2-CD1 3.9Å; F87-W336 AromaticContact CD2-NE1 3.78Å; F87-W336 AromaticContact CE1-CD1 3.77Å; F87-W336 HydrophobicContact CE1-CG 4.13Å; F87-W336 AromaticContact CE2-CD1 3.95Å; F87-W336 AromaticContact CE2-NE1 3.67Å; F87-W336 AromaticContact CG-CD1 3.77Å; F87-W336 AromaticContact CZ-CD1 3.89Å; F87-W336 HydrophobicContact CZ-CG 4.34Å; F87-W336 AromaticContact CZ-NE1 3.93Å
88	Y	98.2	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-39.2	178.2	-70	-81.8	0	0	0	112.3	V69 P70 L72 V76 A80 K84 H85 Q90 N91 G92 W96 W336	V69-Y88 HydrophobicContact CG1-CD1 3.62Å; V69-Y88 HydrophobicContact CG1-CE1 4.11Å; V69-Y88 HydrophobicContact CG1-CG 4.49Å; P70-Y88 HydrophobicContact CG-CD1 4.09Å; P70-Y88 HydrophobicContact CG-CE1 3.88Å; L72-Y88 HydrophobicContact CD1-CD2 4.2Å; L72-Y88 HydrophobicContact CD1-CG 4.13Å; V76-Y88 HydrophobicContact CG1-CD1 4.29Å; V76-Y88 HydrophobicContact CG1-CE1 4.33Å; A80-Y88 HydrophobicContact CB-CD2 4.18Å; A80-Y88 HydrophobicContact CB-CE2 3.66Å; K84-Y88 HydrophobicContact CB-CD2 4.39Å; K84-Y88 HydrophobicContact CB-CE2 4.03Å; K84-Y88 WeakPolarHBondContact O-CD2 3.39Å; K84-Y88 PolarHBondContact O-N 3.13Å; H85-Y88 PolarHBondContact O-N 2.76Å; H85-Y88 VanDerWaalsContact O-N 3.14Å; Y88-Q90 VanDerWaalsContact C-N 3.34Å; Y88-Q90 PolarHBondContact O-N 3.44Å; Y88-N91 PolarHBondContact O-N 2.81Å; Y88-G92 WeakPolarHBondContact O-CA 3.22Å; Y88-G92 PolarHBondContact O-N 2.95Å; Y88-W96 HydrophobicContact CE1-CH2 4.48Å; Y88-W96 HydrophobicContact CE1-CZ2 4.5Å; Y88-W336 WeakPolarHBondContact CE2-O 3.39Å; Y88-W336 VanDerWaalsContact OH-C 3.27Å; Y88-W336 PolarHBondContact OH-O 3.13Å
89	I	98	Very high	96.5	Very high	113 Å²	113	51 Å²	51	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-44.6	176.3	-69	165	0	0	0	110.9	L72 H85 N86	L72-I89 HydrophobicContact CB-CG1 4.28Å; L72-I89 HydrophobicContact CD2-CD1 3.9Å; L72-I89 HydrophobicContact CD2-CG1 3.69Å; H85-I89 WeakPolarHBondContact O-CG1 3.17Å; H85-I89 PolarHBondContact O-N 2.73Å; N86-I89 PolarHBondContact O-N 2.55Å
90	Q	98	Very high	96.7	Very high	134 Å²	134	51.1 Å²	51.1	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-78	-26.4	-176.6	-70	175	0.3	0	0	113.6	N86 F87 Y88 K94	N86-Q90 WeakPolarHBondContact O-CB 3.43Å; N86-Q90 VanDerWaalsContact O-CG 3.27Å; N86-Q90 WeakPolarHBondContact O-CG 3.45Å; N86-Q90 PolarHBondContact O-N 3.47Å; F87-Q90 PolarHBondContact O-N 2.79Å; Y88-Q90 VanDerWaalsContact C-N 3.34Å; Y88-Q90 PolarHBondContact O-N 3.44Å; Q90-K94 PolarHBondContact O-NZ 3.4Å
91	N	98	Very high	96.9	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-119.8	-3.7	-168.4	-61.4	-55.3	0	0	0	115.1	V69 F87 Y88 G93 K94 V99	V69-N91 WeakPolarHBondContact CB-O 3.38Å; V69-N91 HydrophobicContact CG1-CB 4.39Å; V69-N91 HydrophobicContact CG2-CB 4.34Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.4Å; F87-N91 HydrophobicContact CZ-CB 4.42Å; F87-N91 VanDerWaalsContact O-CB 3.27Å; F87-N91 WeakPolarHBondContact O-CB 3.44Å; F87-N91 PolarHBondContact O-N 3.45Å; F87-N91 PolarHBondContact O-ND2 2.72Å; F87-N91 VanDerWaalsContact O-ND2 3.1Å; Y88-N91 PolarHBondContact O-N 2.81Å; N91-G93 PolarHBondContact O-N 3.34Å; N91-K94 HydrophobicContact CB-CD 4.49Å; N91-K94 WeakPolarHBondContact O-CB 3.48Å; N91-K94 PolarHBondContact O-N 2.78Å; N91-K94 PolarHBondContact OD1-NZ 2.74Å; N91-V99 HydrophobicContact CB-CB 4.12Å; N91-V99 HydrophobicContact CB-CG1 4.02Å; N91-V99 HydrophobicContact CB-CG2 4.13Å; N91-V99 WeakPolarHBondContact OD1-CG1 3.4Å
92	G	97.3	Very high	97.1	Very high	14 Å²	14	60.6 Å²	60.6	14%	0.144	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	128.5	175.2	0	0	0	0	0	112.1	Y71 Y88	Y71-G92 VanDerWaalsContact CE1-O 3.24Å; Y71-G92 WeakPolarHBondContact CE1-O 3.29Å; Y88-G92 WeakPolarHBondContact O-CA 3.22Å; Y88-G92 PolarHBondContact O-N 2.95Å
93	G	96.8	Very high	97.4	Very high	11 Å²	11	62.7 Å²	62.7	11%	0.113	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-1.5	-178.2	0	0	0	0	0	115.7	V69 N91	V69-G93 PolarHBondContact O-N 3.04Å; N91-G93 PolarHBondContact O-N 3.34Å
94	K	97.4	Very high	97.6	Very high	97 Å²	97	59.3 Å²	59.3	42%	0.422	30%	0.304	S	S	.	.	S	Bend	trans	-97.2	155.8	173.6	-57.8	175.7	-174.5	159.1	0	110.8	T68 V69 Q90 N91 V99	T68-K94 CarbonylContact C-O 3.24Å; T68-K94 WeakPolarHBondContact CA-O 3.4Å; T68-K94 WeakPolarHBondContact CG2-O 3.23Å; V69-K94 PolarHBondContact N-O 2.89Å; Q90-K94 PolarHBondContact O-NZ 3.4Å; N91-K94 HydrophobicContact CB-CD 4.49Å; N91-K94 WeakPolarHBondContact O-CB 3.48Å; N91-K94 PolarHBondContact O-N 2.78Å; N91-K94 PolarHBondContact OD1-NZ 2.74Å; K94-V99 HydrophobicContact CB-CG1 3.62Å; K94-V99 HydrophobicContact CD-CG1 3.61Å; K94-V99 HydrophobicContact CG-CG1 4.28Å
95	Y	97.7	Very high	97.7	Very high	40 Å²	40	59.1 Å²	59.1	16%	0.157	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-66.3	140.9	173.1	-63.7	-58.1	0	0	0	110.8	Y66 A67 A97 D98 V99 D133 R135	Y66-Y95 HydrophobicContact CD1-CE1 4.29Å; A67-Y95 WeakPolarHBondContact O-CA 3.2Å; Y95-A97 PolarHBondContact O-N 2.95Å; Y95-D98 WeakPolarHBondContact CD2-OD2 3.28Å; Y95-D98 PolarHBondContact O-N 3.46Å; Y95-D98 VanDerWaalsContact O-N 3.1Å; Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; Y95-D133 WeakPolarHBondContact CE1-OD1 3.41Å; Y95-D133 VanDerWaalsContact OH-CG 3.24Å; Y95-D133 PolarHBondContact OH-OD1 2.92Å; Y95-D133 PolarHBondContact OH-OD2 2.88Å; Y95-R135 HydrophobicContact CD1-CB 4.25Å; Y95-R135 HydrophobicContact CE1-CB 3.47Å; Y95-R135 VanDerWaalsContact CE1-CB 3.47Å; Y95-R135 HydrophobicContact CE1-CG 4.4Å
96	W	97.7	Very high	97.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-54.5	-41.8	172.6	-78.7	97.8	0	0	0	111.3	A67 T68 V69 F87 Y88 D98 V99 I100 W105 F148 W336 I385	A67-W96 VanDerWaalsContact C-CD1 3.45Å; A67-W96 HydrophobicContact CB-CG 4.36Å; A67-W96 PolarHBondContact O-N 3.19Å; T68-W96 PolarHBondContact O-NE1 2.65Å; T68-W96 VanDerWaalsContact O-NE1 3.15Å; V69-W96 HydrophobicContact CG1-CZ2 4.49Å; V69-W96 HydrophobicContact CG2-CD2 3.71Å; V69-W96 HydrophobicContact CG2-CE3 4.02Å; V69-W96 HydrophobicContact CG2-CG 4.1Å; V69-W96 HydrophobicContact CG2-CH2 4.33Å; V69-W96 HydrophobicContact CG2-CZ2 4.06Å; V69-W96 HydrophobicContact CG2-CZ3 4.31Å; F87-W96 HydrophobicContact CE1-CE3 4.25Å; F87-W96 AromaticContact CE1-CH2 3.62Å; F87-W96 HydrophobicContact CE1-CH2 3.62Å; F87-W96 AromaticContact CE1-CZ3 3.42Å; F87-W96 HydrophobicContact CE1-CZ3 3.42Å; F87-W96 VanDerWaalsContact CE1-CZ3 3.42Å; F87-W96 AromaticContact CZ-CE3 4Å; F87-W96 HydrophobicContact CZ-CE3 4Å; F87-W96 HydrophobicContact CZ-CH2 4.18Å; F87-W96 AromaticContact CZ-CZ3 3.5Å; F87-W96 HydrophobicContact CZ-CZ3 3.5Å; Y88-W96 HydrophobicContact CE1-CH2 4.48Å; Y88-W96 HydrophobicContact CE1-CZ2 4.5Å; W96-D98 PolarHBondContact O-N 3Å; W96-D98 VanDerWaalsContact O-N 3.09Å; W96-V99 PolarHBondContact O-N 3.11Å; W96-I100 HydrophobicContact CE3-CG2 3.75Å; W96-I100 HydrophobicContact CZ3-CG2 4.21Å; W96-I100 WeakPolarHBondContact O-CG1 3.35Å; W96-I100 PolarHBondContact O-N 3.29Å; W96-W105 HydrophobicContact CB-CE3 4.08Å; W96-W105 HydrophobicContact CB-CH2 4Å; W96-W105 HydrophobicContact CB-CZ3 3.46Å; W96-W105 VanDerWaalsContact CB-CZ3 3.46Å; W96-W105 HydrophobicContact CG-CZ3 4.44Å; W96-F148 HydrophobicContact CZ2-CE2 4.32Å; W96-F148 AromaticContact NE1-CE2 3.88Å; W96-W336 HydrophobicContact CE3-CD2 4.41Å; W96-W336 HydrophobicContact CE3-CE3 4.15Å; W96-W336 HydrophobicContact CH2-CB 3.48Å; W96-W336 VanDerWaalsContact CH2-CB 3.48Å; W96-W336 HydrophobicContact CH2-CD2 4.33Å; W96-W336 HydrophobicContact CH2-CE3 4.46Å; W96-W336 AromaticContact CH2-CG 3.93Å; W96-W336 HydrophobicContact CH2-CG 3.93Å; W96-W336 HydrophobicContact CZ3-CB 3.65Å; W96-W336 AromaticContact CZ3-CD2 3.54Å; W96-W336 HydrophobicContact CZ3-CD2 3.54Å; W96-W336 AromaticContact CZ3-CE3 3.6Å; W96-W336 HydrophobicContact CZ3-CE3 3.6Å; W96-W336 AromaticContact CZ3-CG 3.55Å; W96-W336 HydrophobicContact CZ3-CG 3.55Å; W96-W336 HydrophobicContact CZ3-CZ3 4.5Å; W96-I385 HydrophobicContact CD2-CG2 4.01Å; W96-I385 HydrophobicContact CE3-CG2 3.95Å; W96-I385 HydrophobicContact CZ3-CG2 4.23Å
97	A	97.5	Very high	97.8	Very high	37 Å²	37	59.4 Å²	59.4	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-54.7	-27.9	178.6	0	0	0	0	0	114.5	Y95 W105	Y95-A97 PolarHBondContact O-N 2.95Å; A97-W105 HydrophobicContact CB-CD2 3.87Å; A97-W105 VanDerWaalsContact CB-CE2 3.47Å; A97-W105 HydrophobicContact CB-CG 4.08Å; A97-W105 HydrophobicContact CB-CZ2 3.89Å
98	D	97.6	Very high	97.8	Very high	116 Å²	116	58 Å²	58	62%	0.62	29%	0.294	S	S	*	.	H	α-helix	trans	-94.5	-18.2	-174.6	-64	-24.8	0	0	0	113.2	Y95 W96	Y95-D98 WeakPolarHBondContact CD2-OD2 3.28Å; Y95-D98 PolarHBondContact O-N 3.46Å; Y95-D98 VanDerWaalsContact O-N 3.1Å; W96-D98 PolarHBondContact O-N 3Å; W96-D98 VanDerWaalsContact O-N 3.09Å
99	V	97.5	Very high	97.8	Very high	33 Å²	33	59.7 Å²	59.7	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-116.3	-11.4	-168	-57.6	0	0	0	0	114.3	V69 F87 N91 K94 Y95 W96	V69-V99 HydrophobicContact CG2-CG2 3.84Å; F87-V99 HydrophobicContact CE2-CG2 4.1Å; F87-V99 HydrophobicContact CZ-CG2 3.77Å; N91-V99 HydrophobicContact CB-CB 4.12Å; N91-V99 HydrophobicContact CB-CG1 4.02Å; N91-V99 HydrophobicContact CB-CG2 4.13Å; N91-V99 WeakPolarHBondContact OD1-CG1 3.4Å; K94-V99 HydrophobicContact CB-CG1 3.62Å; K94-V99 HydrophobicContact CD-CG1 3.61Å; K94-V99 HydrophobicContact CG-CG1 4.28Å; Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; W96-V99 PolarHBondContact O-N 3.11Å
100	I	97	Very high	97.8	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.067	30%	0.302	C	S	.	.	S	Bend	trans	-103.8	163.4	172.8	78.2	176.4	0	0	0	110.4	F87 W96 K102 H104 W105 W336	F87-I100 HydrophobicContact CE2-CG2 4.26Å; F87-I100 HydrophobicContact CZ-CG2 4.07Å; W96-I100 HydrophobicContact CE3-CG2 3.75Å; W96-I100 HydrophobicContact CZ3-CG2 4.21Å; W96-I100 WeakPolarHBondContact O-CG1 3.35Å; W96-I100 PolarHBondContact O-N 3.29Å; I100-K102 PolarHBondContact O-N 3.41Å; I100-H104 HydrophobicContact CD1-CB 4.39Å; I100-W105 HydrophobicContact CD1-CB 3.95Å; I100-W105 HydrophobicContact CD1-CE3 3.77Å; I100-W105 HydrophobicContact CG1-CB 4.02Å; I100-W336 HydrophobicContact CB-CH2 3.53Å; I100-W336 HydrophobicContact CB-CZ2 3.69Å; I100-W336 HydrophobicContact CB-CZ3 4.27Å; I100-W336 HydrophobicContact CD1-CH2 3.7Å; I100-W336 HydrophobicContact CD1-CZ3 3.77Å; I100-W336 HydrophobicContact CG1-CH2 4.17Å; I100-W336 HydrophobicContact CG2-CD2 4.3Å; I100-W336 HydrophobicContact CG2-CE3 4.26Å; I100-W336 HydrophobicContact CG2-CH2 3.46Å; I100-W336 VanDerWaalsContact CG2-CH2 3.46Å; I100-W336 HydrophobicContact CG2-CZ2 3.42Å; I100-W336 VanDerWaalsContact CG2-CZ2 3.42Å; I100-W336 HydrophobicContact CG2-CZ3 3.86Å
101	P	97.6	Very high	97.9	Very high	80 Å²	80	53.9 Å²	53.9	52%	0.519	28%	0.275	S	S	.	.			trans	-54.6	130.6	176.3	-25.5	35	0	0	0	111.6	E103 H104 W105	P101-E103 VanDerWaalsContact C-N 3.26Å; P101-E103 PolarHBondContact O-N 3.44Å; P101-H104 HydrophobicContact CB-CB 4.11Å; P101-H104 WeakPolarHBondContact O-CA 3.44Å; P101-H104 WeakPolarHBondContact O-CB 3.39Å; P101-H104 PolarHBondContact O-N 3.48Å; P101-W105 PolarHBondContact O-N 3Å; P101-W105 VanDerWaalsContact O-N 3.13Å
102	K	97.8	Very high	97.9	Very high	155 Å²	155	52.9 Å²	52.9	67%	0.674	27%	0.269	S	S	*	.	H	α-helix	trans	-52.9	-43.3	-175.3	-178.5	179	178.3	-180	0	113.1	I100 H104 W105 Q106	I100-K102 PolarHBondContact O-N 3.41Å; K102-H104 VanDerWaalsContact C-N 3.33Å; K102-H104 PolarHBondContact O-N 3.01Å; K102-W105 PolarHBondContact O-N 3.16Å; K102-Q106 VanDerWaalsContact O-CG 3.32Å; K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 2.96Å
103	E	98.1	Very high	98	Very high	140 Å²	140	55.6 Å²	55.6	65%	0.654	28%	0.279	S	S	*	.	H	α-helix	trans	-62.8	-39.6	177.6	-175.4	178.6	-178.4	0	0	111.9	P101 W105 Q106 L107	P101-E103 VanDerWaalsContact C-N 3.26Å; P101-E103 PolarHBondContact O-N 3.44Å; E103-W105 PolarHBondContact O-N 2.93Å; E103-Q106 PolarHBondContact O-N 2.91Å; E103-L107 HydrophobicContact CG-CD1 4.02Å; E103-L107 HydrophobicContact CG-CG 4.49Å; E103-L107 WeakPolarHBondContact O-CB 3.32Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 3.3Å
104	H	98	Very high	98	Very high	16 Å²	16	57.2 Å²	57.2	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-46.9	176.1	-164.2	116.8	0	0	0	111	I100 P101 K102 L107 L108 W336 Y381 S384	I100-H104 HydrophobicContact CD1-CB 4.39Å; P101-H104 HydrophobicContact CB-CB 4.11Å; P101-H104 WeakPolarHBondContact O-CA 3.44Å; P101-H104 WeakPolarHBondContact O-CB 3.39Å; P101-H104 PolarHBondContact O-N 3.48Å; K102-H104 VanDerWaalsContact C-N 3.33Å; K102-H104 PolarHBondContact O-N 3.01Å; H104-L107 PolarHBondContact O-N 2.95Å; H104-L108 WeakPolarHBondContact O-CB 3.46Å; H104-L108 PolarHBondContact O-N 3.08Å; H104-W336 AromaticContact CD2-CH2 3.78Å; H104-W336 AromaticContact CD2-CZ3 3.87Å; H104-W336 AromaticContact CE1-CH2 3.84Å; H104-W336 AromaticContact CG-CH2 3.98Å; H104-W336 AromaticContact NE2-CH2 3.7Å; H104-W336 AromaticContact NE2-CZ3 3.6Å; H104-Y381 HydrophobicContact CB-CD1 4.32Å; H104-Y381 AromaticContact CD2-CD1 3.67Å; H104-Y381 AromaticContact CE1-CD1 3.53Å; H104-Y381 AromaticContact CG-CD1 3.6Å; H104-Y381 AromaticContact ND1-CD1 3.53Å; H104-Y381 AromaticContact ND1-CE1 3.8Å; H104-Y381 AromaticContact NE2-CD1 3.61Å; H104-S384 PolarHBondContact CE1-OG 3.34Å; H104-S384 VanDerWaalsContact CE1-OG 3.25Å; H104-S384 VanDerWaalsContact NE2-CB 3.32Å; H104-S384 WeakPolarHBondContact NE2-CB 3.21Å; H104-S384 PolarHBondContact NE2-OG 3.36Å
105	W	98.2	Very high	98.1	Very high	39 Å²	39	52.6 Å²	52.6	15%	0.148	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-42	177.5	-177	-106.2	0	0	0	112.6	P64 A67 W96 A97 I100 P101 K102 E103 L108 C109	P64-W105 HydrophobicContact CB-CH2 3.71Å; P64-W105 HydrophobicContact CB-CZ2 4.12Å; P64-W105 HydrophobicContact CB-CZ3 4.37Å; P64-W105 VanDerWaalsContact O-CH2 3.25Å; P64-W105 WeakPolarHBondContact O-CH2 3.45Å; A67-W105 HydrophobicContact CB-CH2 4.2Å; W96-W105 HydrophobicContact CB-CE3 4.08Å; W96-W105 HydrophobicContact CB-CH2 4Å; W96-W105 HydrophobicContact CB-CZ3 3.46Å; W96-W105 VanDerWaalsContact CB-CZ3 3.46Å; W96-W105 HydrophobicContact CG-CZ3 4.44Å; A97-W105 HydrophobicContact CB-CD2 3.87Å; A97-W105 VanDerWaalsContact CB-CE2 3.47Å; A97-W105 HydrophobicContact CB-CG 4.08Å; A97-W105 HydrophobicContact CB-CZ2 3.89Å; I100-W105 HydrophobicContact CD1-CB 3.95Å; I100-W105 HydrophobicContact CD1-CE3 3.77Å; I100-W105 HydrophobicContact CG1-CB 4.02Å; P101-W105 PolarHBondContact O-N 3Å; P101-W105 VanDerWaalsContact O-N 3.13Å; K102-W105 PolarHBondContact O-N 3.16Å; E103-W105 PolarHBondContact O-N 2.93Å; W105-L108 HydrophobicContact CE3-CD1 4.35Å; W105-L108 HydrophobicContact CE3-CD2 4.36Å; W105-L108 HydrophobicContact CZ3-CD1 4.34Å; W105-L108 HydrophobicContact CZ3-CD2 4.21Å; W105-L108 WeakPolarHBondContact O-CB 3.47Å; W105-L108 PolarHBondContact O-N 2.65Å; W105-C109 VanDerWaalsContact CE2-SG 3.6Å; W105-C109 PolarHBondContact O-N 3.15Å; W105-C109 PolarHBondContact O-SG 3.08Å
106	Q	98.4	Very high	98.2	Very high	108 Å²	108	51.1 Å²	51.1	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-43	177.5	-73	174.8	-34.4	0	0	111.9	K102 E103 C109 K110	K102-Q106 VanDerWaalsContact O-CG 3.32Å; K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 2.96Å; E103-Q106 PolarHBondContact O-N 2.91Å; Q106-C109 PolarHBondContact O-N 2.87Å; Q106-K110 VanDerWaalsContact O-CB 3.31Å; Q106-K110 WeakPolarHBondContact O-CB 3.33Å; Q106-K110 PolarHBondContact O-N 3.43Å
107	L	98.5	Very high	98.2	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-42	175.9	-71.8	170	0	0	0	111.5	E103 H104 K110 Q111 Y381	E103-L107 HydrophobicContact CG-CD1 4.02Å; E103-L107 HydrophobicContact CG-CG 4.49Å; E103-L107 WeakPolarHBondContact O-CB 3.32Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 3.3Å; H104-L107 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 2.84Å; L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 WeakPolarHBondContact O-CG 3.41Å; L107-Q111 PolarHBondContact O-N 2.7Å; L107-Y381 HydrophobicContact CB-CD1 4.09Å; L107-Y381 HydrophobicContact CB-CD2 3.77Å; L107-Y381 HydrophobicContact CB-CE1 4.48Å; L107-Y381 HydrophobicContact CB-CE2 4.19Å; L107-Y381 HydrophobicContact CB-CG 3.73Å; L107-Y381 HydrophobicContact CD1-CD1 4.24Å; L107-Y381 HydrophobicContact CD1-CD2 4.1Å; L107-Y381 HydrophobicContact CD1-CE1 3.79Å; L107-Y381 HydrophobicContact CD1-CE2 3.62Å; L107-Y381 HydrophobicContact CD1-CG 4.4Å; L107-Y381 VanDerWaalsContact CD1-CZ 3.45Å; L107-Y381 HydrophobicContact CG-CD2 4.5Å; L107-Y381 HydrophobicContact CG-CE2 4.44Å
108	L	98.4	Very high	98.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.3	-55.2	173.2	177.2	156.3	0	0	0	111.1	P64 H104 W105 K110 Q111 V112 Y381 A382 I385 W392	P64-L108 HydrophobicContact CB-CD2 3.56Å; P64-L108 HydrophobicContact CG-CD2 3.88Å; H104-L108 WeakPolarHBondContact O-CB 3.46Å; H104-L108 PolarHBondContact O-N 3.08Å; W105-L108 HydrophobicContact CE3-CD1 4.35Å; W105-L108 HydrophobicContact CE3-CD2 4.36Å; W105-L108 HydrophobicContact CZ3-CD1 4.34Å; W105-L108 HydrophobicContact CZ3-CD2 4.21Å; W105-L108 WeakPolarHBondContact O-CB 3.47Å; W105-L108 PolarHBondContact O-N 2.65Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.11Å; L108-Q111 PolarHBondContact O-N 2.89Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3.46Å; L108-V112 VanDerWaalsContact O-N 3.12Å; L108-Y381 WeakPolarHBondContact CD1-O 3.4Å; L108-A382 HydrophobicContact CG-CB 4.32Å; L108-I385 HydrophobicContact CD1-CD1 4.05Å; L108-I385 HydrophobicContact CD1-CG1 4.08Å; L108-I385 HydrophobicContact CD1-CG2 3.92Å; L108-W392 HydrophobicContact CD2-CH2 4.39Å
109	C	98.4	Very high	98.3	Very high	37 Å²	37	51.4 Å²	51.4	25%	0.25	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-43.6	-178.9	-63.9	0	0	0	0	111.1	W105 Q106 Q111 V112 E113	W105-C109 VanDerWaalsContact CE2-SG 3.6Å; W105-C109 PolarHBondContact O-N 3.15Å; W105-C109 PolarHBondContact O-SG 3.08Å; Q106-C109 PolarHBondContact O-N 2.87Å; C109-Q111 VanDerWaalsContact C-N 3.34Å; C109-Q111 PolarHBondContact O-N 3.22Å; C109-V112 PolarHBondContact O-N 2.97Å; C109-E113 WeakPolarHBondContact O-CG 3.44Å; C109-E113 PolarHBondContact O-N 2.86Å; C109-E113 VanDerWaalsContact O-N 3.13Å
110	K	98.6	Very high	98.4	Very high	112 Å²	112	54.9 Å²	54.9	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-43	177.4	-171.4	-169.3	-175.8	-44.8	0	111.9	Q106 L107 L108 E113 D114	Q106-K110 VanDerWaalsContact O-CB 3.31Å; Q106-K110 WeakPolarHBondContact O-CB 3.33Å; Q106-K110 PolarHBondContact O-N 3.43Å; L107-K110 PolarHBondContact O-N 2.84Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.11Å; K110-E113 PolarHBondContact O-N 2.75Å; K110-D114 IonicContact NZ-OD1 3.37Å; K110-D114 PolarHBondContact NZ-OD1 2.76Å; K110-D114 IonicContact NZ-OD2 2.69Å; K110-D114 PolarHBondContact NZ-OD2 2.69Å; K110-D114 WeakPolarHBondContact O-CB 3.29Å; K110-D114 PolarHBondContact O-N 2.84Å
111	Q	98.7	Very high	98.5	Very high	13 Å²	13	61.4 Å²	61.4	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-38.6	-179.2	-76.4	-177.3	-22.1	0	0	112.5	L107 L108 C109 F115 K378 F379 Y381	L107-Q111 WeakPolarHBondContact O-CB 3.49Å; L107-Q111 WeakPolarHBondContact O-CG 3.41Å; L107-Q111 PolarHBondContact O-N 2.7Å; L108-Q111 PolarHBondContact O-N 2.89Å; C109-Q111 VanDerWaalsContact C-N 3.34Å; C109-Q111 PolarHBondContact O-N 3.22Å; Q111-F115 VanDerWaalsContact O-CB 3.3Å; Q111-F115 WeakPolarHBondContact O-CB 3.4Å; Q111-F115 PolarHBondContact O-N 2.78Å; Q111-K378 WeakPolarHBondContact CB-O 3.31Å; Q111-K378 HydrophobicContact CG-CB 4.47Å; Q111-K378 WeakPolarHBondContact CG-O 3.34Å; Q111-F379 HydrophobicContact CB-CD2 4.22Å; Q111-F379 VanDerWaalsContact OE1-CA 3.32Å; Q111-F379 PolarHBondContact OE1-O 3.31Å; Q111-Y381 VanDerWaalsContact OE1-CB 3.29Å
112	V	98.7	Very high	98.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-47	173.9	177.5	0	0	0	0	110.7	V61 L108 C109 F115 V116 F379 A382 W392	V61-V112 HydrophobicContact CG1-CG1 4.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.43Å; L108-V112 PolarHBondContact O-N 3.46Å; L108-V112 VanDerWaalsContact O-N 3.12Å; C109-V112 PolarHBondContact O-N 2.97Å; V112-F115 WeakPolarHBondContact O-CB 3.46Å; V112-F115 PolarHBondContact O-N 3Å; V112-V116 WeakPolarHBondContact O-CG2 3.27Å; V112-V116 PolarHBondContact O-N 3.04Å; V112-F379 HydrophobicContact CG2-CE2 4.39Å; V112-F379 HydrophobicContact CG2-CZ 4.36Å; V112-A382 HydrophobicContact CG2-CB 3.99Å; V112-W392 HydrophobicContact CB-CZ3 4.31Å; V112-W392 HydrophobicContact CG1-CE3 4.19Å; V112-W392 HydrophobicContact CG1-CZ3 3.88Å; V112-W392 HydrophobicContact CG2-CD2 4.45Å; V112-W392 HydrophobicContact CG2-CE3 3.93Å; V112-W392 HydrophobicContact CG2-CH2 3.43Å; V112-W392 VanDerWaalsContact CG2-CH2 3.43Å; V112-W392 HydrophobicContact CG2-CZ2 3.99Å; V112-W392 HydrophobicContact CG2-CZ3 3.4Å; V112-W392 VanDerWaalsContact CG2-CZ3 3.4Å
113	E	98.6	Very high	98.5	Very high	72 Å²	72	56.4 Å²	56.4	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-33.4	179.9	-63.7	-52.5	129.3	0	0	113.3	C109 K110 F115 K117 R128	C109-E113 WeakPolarHBondContact O-CG 3.44Å; C109-E113 PolarHBondContact O-N 2.86Å; C109-E113 VanDerWaalsContact O-N 3.13Å; K110-E113 PolarHBondContact O-N 2.75Å; E113-F115 VanDerWaalsContact C-N 3.35Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.05Å; E113-K117 VanDerWaalsContact O-N 3.17Å; E113-R128 IonicContact OE1-CZ 2.76Å; E113-R128 IonicContact OE1-NH1 2.76Å; E113-R128 PolarHBondContact OE1-NH1 3.45Å; E113-R128 IonicContact OE1-NH2 3.73Å; E113-R128 PolarHBondContact OE1-NH2 3.13Å; E113-R128 IonicContact OE2-NH1 2.83Å; E113-R128 PolarHBondContact OE2-NH1 2.97Å
114	D	98.6	Very high	98.6	Very high	45 Å²	45	50 Å²	50	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-40.6	171	-71.4	-13.7	0	0	0	110.8	K110 K117 I118	K110-D114 IonicContact NZ-OD1 3.37Å; K110-D114 PolarHBondContact NZ-OD1 2.76Å; K110-D114 IonicContact NZ-OD2 2.69Å; K110-D114 PolarHBondContact NZ-OD2 2.69Å; K110-D114 WeakPolarHBondContact O-CB 3.29Å; K110-D114 PolarHBondContact O-N 2.84Å; D114-K117 PolarHBondContact O-N 2.83Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.17Å; D114-I118 PolarHBondContact O-N 2.59Å
115	F	98.8	Very high	98.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-43.3	176	172.6	-132.2	0	0	0	112.1	V61 Q111 V112 E113 K117 I118 L119 L347 V355 V377 F379 F389 T393	V61-F115 HydrophobicContact CG1-CD1 4.27Å; V61-F115 HydrophobicContact CG1-CE1 4.38Å; V61-F115 HydrophobicContact CG2-CE1 4.41Å; Q111-F115 VanDerWaalsContact O-CB 3.3Å; Q111-F115 WeakPolarHBondContact O-CB 3.4Å; Q111-F115 PolarHBondContact O-N 2.78Å; V112-F115 WeakPolarHBondContact O-CB 3.46Å; V112-F115 PolarHBondContact O-N 3Å; E113-F115 VanDerWaalsContact C-N 3.35Å; F115-K117 PolarHBondContact O-N 3.3Å; F115-I118 PolarHBondContact O-N 2.72Å; F115-L119 HydrophobicContact CD1-CD1 4.44Å; F115-L119 HydrophobicContact CD2-CD1 4.24Å; F115-L119 HydrophobicContact CD2-CG 4.11Å; F115-L119 HydrophobicContact CE1-CD1 3.96Å; F115-L119 HydrophobicContact CE2-CD1 3.71Å; F115-L119 HydrophobicContact CE2-CD2 3.84Å; F115-L119 HydrophobicContact CE2-CG 3.68Å; F115-L119 HydrophobicContact CZ-CD1 3.57Å; F115-L119 HydrophobicContact CZ-CD2 4.22Å; F115-L119 HydrophobicContact CZ-CG 4.07Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.46Å; F115-L347 HydrophobicContact CE2-CD2 4.46Å; F115-L347 HydrophobicContact CZ-CD2 3.95Å; F115-V355 HydrophobicContact CD2-CG1 4.38Å; F115-V355 HydrophobicContact CE2-CG1 3.93Å; F115-V355 HydrophobicContact CE2-CG2 4.49Å; F115-V377 HydrophobicContact CB-CG1 4.1Å; F115-V377 HydrophobicContact CD2-CG1 4.32Å; F115-F379 HydrophobicContact CB-CD2 4.11Å; F115-F379 HydrophobicContact CB-CE2 3.67Å; F115-F379 AromaticContact CD1-CE2 3.78Å; F115-F379 HydrophobicContact CD1-CE2 3.78Å; F115-F379 AromaticContact CD1-CZ 4Å; F115-F379 HydrophobicContact CD1-CZ 4Å; F115-F379 HydrophobicContact CG-CD2 4.47Å; F115-F379 AromaticContact CG-CE2 3.92Å; F115-F379 HydrophobicContact CG-CE2 3.92Å; F115-F389 HydrophobicContact CD1-CD1 4.38Å; F115-F389 AromaticContact CD2-CD1 3.96Å; F115-F389 HydrophobicContact CD2-CD1 3.96Å; F115-F389 HydrophobicContact CD2-CE1 4.16Å; F115-F389 HydrophobicContact CE1-CD1 4.13Å; F115-F389 AromaticContact CE2-CD1 3.71Å; F115-F389 HydrophobicContact CE2-CD1 3.71Å; F115-F389 HydrophobicContact CE2-CE1 4.31Å; F115-F389 HydrophobicContact CG-CD1 4.3Å; F115-F389 HydrophobicContact CG-CE1 4.46Å; F115-F389 HydrophobicContact CZ-CB 4.28Å; F115-F389 AromaticContact CZ-CD1 3.78Å; F115-F389 HydrophobicContact CZ-CD1 3.78Å; F115-F389 HydrophobicContact CZ-CG 4.49Å; F115-T393 HydrophobicContact CE1-CG2 3.58Å; F115-T393 HydrophobicContact CZ-CG2 3.82Å
116	V	98.8	Very high	98.6	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-50.9	172.9	168.9	0	0	0	0	110.9	V61 V112 I118 L119 E120 V126	V61-V116 HydrophobicContact CB-CG2 4.05Å; V61-V116 HydrophobicContact CG1-CG2 3.78Å; V61-V116 HydrophobicContact CG2-CG2 4.24Å; V112-V116 WeakPolarHBondContact O-CG2 3.27Å; V112-V116 PolarHBondContact O-N 3.04Å; V116-I118 VanDerWaalsContact C-N 3.28Å; V116-I118 PolarHBondContact O-N 3.41Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.93Å; V116-L119 VanDerWaalsContact O-N 3.16Å; V116-E120 WeakPolarHBondContact O-CG 3.14Å; V116-E120 PolarHBondContact O-N 2.8Å; V116-V126 HydrophobicContact CG1-CB 4.27Å; V116-V126 HydrophobicContact CG1-CG1 3.94Å; V116-V126 HydrophobicContact CG1-CG2 4.48Å; V116-V126 HydrophobicContact CG2-CG1 4.26Å
117	K	98.7	Very high	98.6	Very high	112 Å²	112	49.6 Å²	49.6	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-37.9	179.3	-69	168.1	-171.4	167	0	112.5	E113 D114 F115 E120 L121	E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.05Å; E113-K117 VanDerWaalsContact O-N 3.17Å; D114-K117 PolarHBondContact O-N 2.83Å; F115-K117 PolarHBondContact O-N 3.3Å; K117-E120 PolarHBondContact O-N 2.95Å; K117-L121 WeakPolarHBondContact O-CB 3.37Å; K117-L121 VanDerWaalsContact O-CG 3.25Å; K117-L121 WeakPolarHBondContact O-CG 3.49Å; K117-L121 PolarHBondContact O-N 3.05Å
118	I	98.7	Very high	98.6	Very high	46 Å²	46	50.2 Å²	50.2	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-43.9	177.6	-70.6	169.4	0	0	0	110.4	D114 F115 V116 E120 L121 E122 I375 V377	D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.17Å; D114-I118 PolarHBondContact O-N 2.59Å; F115-I118 PolarHBondContact O-N 2.72Å; V116-I118 VanDerWaalsContact C-N 3.28Å; V116-I118 PolarHBondContact O-N 3.41Å; I118-E120 PolarHBondContact O-N 3.49Å; I118-L121 PolarHBondContact O-N 3.5Å; I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 2.95Å; I118-I375 HydrophobicContact CG2-CG2 3.89Å; I118-V377 HydrophobicContact CD1-CB 4.41Å; I118-V377 HydrophobicContact CD1-CG1 4.1Å; I118-V377 HydrophobicContact CD1-CG2 3.71Å; I118-V377 HydrophobicContact CG2-CG2 4.19Å
119	L	98.9	Very high	98.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-43.6	175.2	-68.1	171.3	0	0	0	112	I59 V61 F115 V116 L121 E122 G123 I124 V126 L347 L349	I59-L119 HydrophobicContact CG2-CD1 4.09Å; V61-L119 HydrophobicContact CG2-CD1 3.65Å; F115-L119 HydrophobicContact CD1-CD1 4.44Å; F115-L119 HydrophobicContact CD2-CD1 4.24Å; F115-L119 HydrophobicContact CD2-CG 4.11Å; F115-L119 HydrophobicContact CE1-CD1 3.96Å; F115-L119 HydrophobicContact CE2-CD1 3.71Å; F115-L119 HydrophobicContact CE2-CD2 3.84Å; F115-L119 HydrophobicContact CE2-CG 3.68Å; F115-L119 HydrophobicContact CZ-CD1 3.57Å; F115-L119 HydrophobicContact CZ-CD2 4.22Å; F115-L119 HydrophobicContact CZ-CG 4.07Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.46Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.93Å; V116-L119 VanDerWaalsContact O-N 3.16Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 2.83Å; L119-E122 CarbonylContact O-C 3.45Å; L119-E122 PolarHBondContact O-N 2.79Å; L119-E122 VanDerWaalsContact O-N 3.16Å; L119-G123 PolarHBondContact O-N 3.49Å; L119-I124 HydrophobicContact CB-CB 4.47Å; L119-I124 HydrophobicContact CB-CD1 4.49Å; L119-I124 HydrophobicContact CD2-CD1 3.86Å; L119-I124 WeakPolarHBondContact O-CB 3.43Å; L119-I124 PolarHBondContact O-N 3.32Å; L119-I124 VanDerWaalsContact O-N 3.08Å; L119-V126 HydrophobicContact CB-CG2 3.64Å; L119-V126 HydrophobicContact CD1-CG2 4.11Å; L119-L347 HydrophobicContact CD2-CD2 4.03Å; L119-L349 HydrophobicContact CD2-CD2 3.82Å
120	E	98.7	Very high	98.5	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.7	-68.7	175.5	152.4	0	0	112.1	V116 K117 I118 E122 G123 V126	V116-E120 WeakPolarHBondContact O-CG 3.14Å; V116-E120 PolarHBondContact O-N 2.8Å; K117-E120 PolarHBondContact O-N 2.95Å; I118-E120 PolarHBondContact O-N 3.49Å; E120-E122 VanDerWaalsContact C-N 3.29Å; E120-E122 PolarHBondContact O-N 2.9Å; E120-G123 WeakPolarHBondContact O-CA 3.44Å; E120-G123 PolarHBondContact O-N 3.17Å; E120-V126 HydrophobicContact CG-CB 4.28Å; E120-V126 HydrophobicContact CG-CG2 3.91Å
121	L	98.4	Very high	98.2	Very high	150 Å²	150	50.4 Å²	50.4	79%	0.785	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-28.8	175	-73.4	170.8	0	0	0	113	K117 I118 L119 G123	K117-L121 WeakPolarHBondContact O-CB 3.37Å; K117-L121 VanDerWaalsContact O-CG 3.25Å; K117-L121 WeakPolarHBondContact O-CG 3.49Å; K117-L121 PolarHBondContact O-N 3.05Å; I118-L121 PolarHBondContact O-N 3.5Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 2.83Å; L121-G123 PolarHBondContact O-N 2.83Å
122	E	98.4	Very high	98	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.294	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.1	171.3	-66	-70.2	149.1	0	0	112.6	I118 L119 E120 I124 L349 R353 I375	I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 2.95Å; L119-E122 CarbonylContact O-C 3.45Å; L119-E122 PolarHBondContact O-N 2.79Å; L119-E122 VanDerWaalsContact O-N 3.16Å; E120-E122 VanDerWaalsContact C-N 3.29Å; E120-E122 PolarHBondContact O-N 2.9Å; E122-I124 HydrophobicContact CB-CD1 4.09Å; E122-L349 HydrophobicContact CB-CD1 3.99Å; E122-L349 HydrophobicContact CG-CD1 3.82Å; E122-R353 IonicContact OE2-CZ 3.6Å; E122-R353 IonicContact OE2-NH1 3.47Å; E122-R353 PolarHBondContact OE2-NH1 3.08Å; E122-I375 HydrophobicContact CG-CD1 4.15Å
123	G	98.4	Very high	97.8	Very high	66 Å²	66	53.7 Å²	53.7	68%	0.68	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	12.4	175.3	0	0	0	0	0	114.6	L119 E120 L121	L119-G123 PolarHBondContact O-N 3.49Å; E120-G123 WeakPolarHBondContact O-CA 3.44Å; E120-G123 PolarHBondContact O-N 3.17Å; L121-G123 PolarHBondContact O-N 2.83Å
124	I	98.8	Very high	97.5	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.036	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-90.8	133.2	-177.6	-62.4	149.6	0	0	0	109.4	L56 I59 L119 E122 V126 L349	L56-I124 HydrophobicContact CB-CD1 4.35Å; L56-I124 HydrophobicContact CB-CG1 4.32Å; L56-I124 HydrophobicContact CD2-CD1 3.78Å; L56-I124 HydrophobicContact CD2-CG1 4.22Å; L56-I124 HydrophobicContact CD2-CG2 4.03Å; L56-I124 HydrophobicContact CG-CD1 4.25Å; L56-I124 HydrophobicContact CG-CG1 4.18Å; L56-I124 HydrophobicContact CG-CG2 3.98Å; I59-I124 HydrophobicContact CB-CG2 4.23Å; I59-I124 HydrophobicContact CG2-CG2 3.58Å; L119-I124 HydrophobicContact CB-CB 4.47Å; L119-I124 HydrophobicContact CB-CD1 4.49Å; L119-I124 HydrophobicContact CD2-CD1 3.86Å; L119-I124 WeakPolarHBondContact O-CB 3.43Å; L119-I124 PolarHBondContact O-N 3.32Å; L119-I124 VanDerWaalsContact O-N 3.08Å; E122-I124 HydrophobicContact CB-CD1 4.09Å; I124-V126 PolarHBondContact O-N 2.95Å; I124-L349 HydrophobicContact CD1-CD1 4.04Å; I124-L349 HydrophobicContact CD1-CD2 3.78Å; I124-L349 HydrophobicContact CD1-CG 4.37Å
125	K	98.7	Very high	97.2	Very high	105 Å²	105	55.1 Å²	55.1	46%	0.457	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.2	171.4	178.4	179.4	162.7	-152.2	0	109.6	E57 E58 I59	E57-K125 PolarHBondContact O-N 2.76Å; E58-K125 VanDerWaalsContact CA-O 3.31Å; E58-K125 WeakPolarHBondContact CA-O 2.96Å; E58-K125 HydrophobicContact CB-CB 4.26Å; E58-K125 HydrophobicContact CG-CB 4.17Å; E58-K125 HydrophobicContact CG-CD 4.07Å; E58-K125 HydrophobicContact CG-CG 4.12Å; E58-K125 WeakPolarHBondContact OE1-CE 3.28Å; E58-K125 IonicContact OE1-NZ 2.65Å; E58-K125 PolarHBondContact OE1-NZ 3.19Å; E58-K125 WeakPolarHBondContact OE2-CD 3.12Å; E58-K125 IonicContact OE2-NZ 2.78Å; E58-K125 PolarHBondContact OE2-NZ 3.04Å; I59-K125 PolarHBondContact N-O 3.25Å
126	V	98.8	Very high	96.7	Very high	22 Å²	22	62.1 Å²	62.1	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.9	175.4	-177	0	0	0	0	110.2	I59 V61 V116 L119 E120 I124	I59-V126 HydrophobicContact CG2-CG2 4.03Å; I59-V126 WeakPolarHBondContact O-CA 3.31Å; V61-V126 HydrophobicContact CB-CG1 3.99Å; V61-V126 HydrophobicContact CG2-CG1 3.56Å; V116-V126 HydrophobicContact CG1-CB 4.27Å; V116-V126 HydrophobicContact CG1-CG1 3.94Å; V116-V126 HydrophobicContact CG1-CG2 4.48Å; V116-V126 HydrophobicContact CG2-CG1 4.26Å; L119-V126 HydrophobicContact CB-CG2 3.64Å; L119-V126 HydrophobicContact CD1-CG2 4.11Å; E120-V126 HydrophobicContact CG-CB 4.28Å; E120-V126 HydrophobicContact CG-CG2 3.91Å; I124-V126 PolarHBondContact O-N 2.95Å
127	V	98.5	Very high	96.2	Very high	26 Å²	26	65.8 Å²	65.8	16%	0.158	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.5	168.1	-64.5	0	0	0	0	110	I59 I60 V61 L184 Y188	I59-V127 WeakPolarHBondContact O-CG2 3.44Å; I59-V127 PolarHBondContact O-N 2.75Å; I60-V127 WeakPolarHBondContact CA-O 3.36Å; I60-V127 HydrophobicContact CB-CG2 4.31Å; I60-V127 HydrophobicContact CG1-CG2 3.61Å; V61-V127 PolarHBondContact N-O 3.15Å; V127-L184 HydrophobicContact CB-CD2 4.16Å; V127-L184 HydrophobicContact CG2-CD1 4.49Å; V127-L184 HydrophobicContact CG2-CD2 4.32Å; V127-Y188 VanDerWaalsContact CG2-OH 3.3Å; V127-Y188 WeakPolarHBondContact CG2-OH 3.47Å
128	R	98.5	Very high	95.9	Very high	63 Å²	63	62.3 Å²	62.3	24%	0.238	33%	0.325	C	S	.	.			trans	-125	144.4	-175.3	-52.1	-62.2	-66.4	-76.9	3.2	109.9	V61 G62 E113	V61-R128 VanDerWaalsContact O-CD 3.28Å; V61-R128 WeakPolarHBondContact O-CD 3.46Å; V61-R128 PolarHBondContact O-NE 3.05Å; G62-R128 PolarHBondContact O-NE 3.41Å; G62-R128 PolarHBondContact O-NH2 3.36Å; E113-R128 IonicContact OE1-CZ 2.76Å; E113-R128 IonicContact OE1-NH1 2.76Å; E113-R128 PolarHBondContact OE1-NH1 3.45Å; E113-R128 IonicContact OE1-NH2 3.73Å; E113-R128 PolarHBondContact OE1-NH2 3.13Å; E113-R128 IonicContact OE2-NH1 2.83Å; E113-R128 PolarHBondContact OE2-NH1 2.97Å
129	P	98	Very high	95.6	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.026	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67	157	168.6	30	-33.6	0	0	0	110.9	V61 T63 A150 A180 Y181	V61-P129 WeakPolarHBondContact O-CD 3.34Å; T63-P129 HydrophobicContact CG2-CG 4.02Å; P129-A150 HydrophobicContact CB-CB 4.39Å; P129-A150 HydrophobicContact CG-CB 4.11Å; P129-A180 WeakPolarHBondContact CA-O 3.14Å; P129-A180 HydrophobicContact CB-CB 4.1Å; P129-A180 WeakPolarHBondContact CB-O 3.42Å; P129-Y181 HydrophobicContact CB-CD1 3.71Å; P129-Y181 HydrophobicContact CB-CE1 3.58Å; P129-Y181 HydrophobicContact CB-CG 4.44Å; P129-Y181 HydrophobicContact CG-CD1 4.42Å; P129-Y181 HydrophobicContact CG-CE1 3.81Å
130	D	96.3	Very high	95	Very high	88 Å²	88	69.5 Å²	69.5	47%	0.471	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-68.8	135.2	173.5	-82.1	9.2	0	0	0	109.6	V132 A180 P183	D130-V132 PolarHBondContact O-N 3.16Å; D130-A180 PolarHBondContact N-O 3.24Å; D130-A180 WeakPolarHBondContact O-CB 3.36Å; D130-P183 HydrophobicContact CB-CG 4.39Å; D130-P183 VanDerWaalsContact OD2-CG 3.32Å; D130-P183 WeakPolarHBondContact OD2-CG 3.45Å
131	P	93	Very high	94.5	Very high	61 Å²	61	70.1 Å²	70.1	40%	0.396	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.1	122	171.7	-22.7	33.6	0	0	0	110.8	E65 Y66	E65-P131 HydrophobicContact CB-CB 4.05Å; E65-P131 HydrophobicContact CB-CG 4.42Å; E65-P131 WeakPolarHBondContact OE2-CB 3.47Å; E65-P131 WeakPolarHBondContact OE2-CG 3.25Å; Y66-P131 HydrophobicContact CD2-CB 3.85Å; Y66-P131 HydrophobicContact CE2-CB 3.83Å
132	V	93.9	Very high	93.6	Very high	36 Å²	36	67.3 Å²	67.3	22%	0.218	35%	0.349	C	S	.	.			trans	-114.9	131.3	175.5	175	0	0	0	0	108.6	Y66 D130 H134 L179 A180	Y66-V132 WeakPolarHBondContact CB-O 3.11Å; D130-V132 PolarHBondContact O-N 3.16Å; V132-H134 VanDerWaalsContact C-N 3.34Å; V132-H134 PolarHBondContact O-CD2 2.86Å; V132-H134 PolarHBondContact O-N 2.82Å; V132-L179 HydrophobicContact CG2-CB 4.31Å; V132-A180 HydrophobicContact CB-CB 4.48Å; V132-A180 HydrophobicContact CG2-CB 3.86Å
133	D	95.2	Very high	93	Very high	46 Å²	46	65 Å²	65	25%	0.246	34%	0.338	C	S	.	.			trans	-70.7	91.1	174.1	-178.6	12.8	0	0	0	111	Y66 Y95 R135 K136	Y66-D133 HydrophobicContact CG-CB 4.48Å; Y95-D133 WeakPolarHBondContact CE1-OD1 3.41Å; Y95-D133 VanDerWaalsContact OH-CG 3.24Å; Y95-D133 PolarHBondContact OH-OD1 2.92Å; Y95-D133 PolarHBondContact OH-OD2 2.88Å; D133-R135 PolarHBondContact O-N 2.94Å; D133-R135 WeakPolarHBondContact OD1-CB 3.44Å; D133-R135 PolarHBondContact OD1-N 3.38Å; D133-K136 PolarHBondContact O-N 3.45Å; D133-K136 WeakPolarHBondContact OD2-CE 3.49Å
134	H	90.8	Very high	92.7	Very high	10 Å²	10	68.1 Å²	68.1	5%	0.046	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.9	-178.1	-69.9	-76.9	0	0	0	113.6	V132 K136 G147 Y149 A150	V132-H134 VanDerWaalsContact C-N 3.34Å; V132-H134 PolarHBondContact O-CD2 2.86Å; V132-H134 PolarHBondContact O-N 2.82Å; H134-K136 VanDerWaalsContact C-N 3.27Å; H134-K136 PolarHBondContact O-N 3.03Å; H134-G147 WeakPolarHBondContact O-CA 3.33Å; H134-G147 PolarHBondContact O-N 2.75Å; H134-Y149 VanDerWaalsContact CD2-CA 3.44Å; H134-Y149 WeakPolarHBondContact CD2-CA 3.45Å; H134-Y149 PolarHBondContact CE1-O 3.3Å; H134-Y149 WeakPolarHBondContact NE2-CA 3.22Å; H134-Y149 PolarHBondContact NE2-O 2.79Å; H134-A150 PolarHBondContact NE2-N 2.83Å
135	R	92.7	Very high	92.5	Very high	136 Å²	136	67.9 Å²	67.9	51%	0.513	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.8	177	179.1	175.1	165	-162.8	-6.1	112.7	T68 Y95 D133 S137	T68-R135 HydrophobicContact CG2-CB 4.48Å; T68-R135 PolarHBondContact OG1-N 2.65Å; Y95-R135 HydrophobicContact CD1-CB 4.25Å; Y95-R135 HydrophobicContact CE1-CB 3.47Å; Y95-R135 VanDerWaalsContact CE1-CB 3.47Å; Y95-R135 HydrophobicContact CE1-CG 4.4Å; D133-R135 PolarHBondContact O-N 2.94Å; D133-R135 WeakPolarHBondContact OD1-CB 3.44Å; D133-R135 PolarHBondContact OD1-N 3.38Å; R135-S137 PolarHBondContact O-N 3.26Å
136	K	89.4	Confident	92.3	Very high	147 Å²	147	63 Å²	63	64%	0.639	31%	0.313	S	S	*	.	S	Bend	trans	-61.5	120.6	177.5	-67.7	-178.3	-177	174.5	0	109.5	D133 H134	D133-K136 PolarHBondContact O-N 3.45Å; D133-K136 WeakPolarHBondContact OD2-CE 3.49Å; H134-K136 VanDerWaalsContact C-N 3.27Å; H134-K136 PolarHBondContact O-N 3.03Å
137	S	88.1	Confident	92.2	Very high	87 Å²	87	62.2 Å²	62.2	61%	0.608	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	150.8	173.9	59.5	0	0	0	0	110.8	R135 T145	R135-S137 PolarHBondContact O-N 3.26Å; S137-T145 CarbonylContact C-O 3.48Å; S137-T145 WeakPolarHBondContact CA-O 3.44Å; S137-T145 WeakPolarHBondContact CB-O 3.4Å
138	Y	92.6	Very high	92.1	Very high	38 Å²	38	61 Å²	61	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.9	170.1	51.8	-96	0	0	0	109.5	E144 T145 R172 S173 F176	Y138-E144 WeakPolarHBondContact O-CA 3.41Å; Y138-T145 HydrophobicContact CD2-CG2 4.2Å; Y138-T145 HydrophobicContact CE1-CG2 4.35Å; Y138-T145 HydrophobicContact CE2-CG2 3.43Å; Y138-T145 VanDerWaalsContact CE2-CG2 3.43Å; Y138-T145 PolarHBondContact N-O 3.14Å; Y138-T145 PolarHBondContact O-N 3.14Å; Y138-T145 VanDerWaalsContact O-N 3.1Å; Y138-T145 VanDerWaalsContact O-O 3.09Å; Y138-R172 PolarHBondContact OH-O 2.92Å; Y138-S173 VanDerWaalsContact OH-C 3.25Å; Y138-S173 VanDerWaalsContact OH-CA 3.29Å; Y138-S173 WeakPolarHBondContact OH-CA 3.17Å; Y138-S173 PolarHBondContact OH-O 2.69Å; Y138-F176 AromaticContact CD1-CD2 3.72Å; Y138-F176 HydrophobicContact CD1-CD2 3.72Å; Y138-F176 HydrophobicContact CD1-CE2 4.29Å; Y138-F176 AromaticContact CD2-CD2 3.64Å; Y138-F176 HydrophobicContact CD2-CD2 3.64Å; Y138-F176 AromaticContact CD2-CE2 3.54Å; Y138-F176 HydrophobicContact CD2-CE2 3.54Å; Y138-F176 AromaticContact CE1-CD2 3.81Å; Y138-F176 HydrophobicContact CE1-CD2 3.81Å; Y138-F176 AromaticContact CE2-CD2 3.73Å; Y138-F176 HydrophobicContact CE2-CD2 3.73Å; Y138-F176 AromaticContact CE2-CE2 3.97Å; Y138-F176 HydrophobicContact CE2-CE2 3.97Å; Y138-F176 AromaticContact CG-CD2 3.6Å; Y138-F176 HydrophobicContact CG-CD2 3.6Å; Y138-F176 AromaticContact CG-CE2 3.69Å; Y138-F176 HydrophobicContact CG-CE2 3.69Å; Y138-F176 AromaticContact CZ-CD2 3.79Å
139	K	92.3	Very high	92	Very high	151 Å²	151	58.1 Å²	58.1	66%	0.657	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	126	173.4	-175.8	172.1	-176.6	161.9	0	109	I143 E144	K139-I143 CarbonylContact C-O 3.55Å; K139-I143 VanDerWaalsContact CA-O 3.26Å; K139-I143 WeakPolarHBondContact CA-O 3.43Å; K139-I143 WeakPolarHBondContact CG-O 3.28Å; K139-E144 HydrophobicContact CG-CB 4.47Å
140	L	86.3	Confident	92	Very high	47 Å²	47	58 Å²	58	25%	0.246	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.6	176.7	179.8	69.1	0	0	0	108.5	D142 I143 Y175	L140-D142 PolarHBondContact O-N 2.72Å; L140-D142 VanDerWaalsContact O-N 3.15Å; L140-I143 PolarHBondContact N-O 3.4Å; L140-I143 WeakPolarHBondContact O-CB 3.49Å; L140-I143 PolarHBondContact O-N 2.75Å; L140-Y175 HydrophobicContact CD2-CD1 3.83Å; L140-Y175 HydrophobicContact CD2-CD2 4.21Å; L140-Y175 HydrophobicContact CD2-CE1 3.26Å; L140-Y175 HydrophobicContact CD2-CE2 3.7Å; L140-Y175 HydrophobicContact CD2-CG 4.26Å; L140-Y175 WeakPolarHBondContact CD2-OH 3.39Å
141	L	86.3	Confident	92.1	Very high	119 Å²	119	53.8 Å²	53.8	62%	0.623	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-117.5	-177	-58.3	169.8	0	0	0	111	T202	L141-T202 WeakPolarHBondContact CD1-O 3.29Å
142	D	81.4	Confident	92.4	Very high	92 Å²	92	50.9 Å²	50.9	49%	0.492	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.9	179.6	62.4	-27.4	0	0	0	113.9	L140 S205	L140-D142 PolarHBondContact O-N 2.72Å; L140-D142 VanDerWaalsContact O-N 3.15Å; D142-S205 WeakPolarHBondContact OD2-CB 3.49Å; D142-S205 PolarHBondContact OD2-OG 3.21Å
143	I	85.3	Confident	92.6	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.5	-175.9	-57.8	145.1	0	0	0	110.2	K139 L140 T145 R172 F204	K139-I143 CarbonylContact C-O 3.55Å; K139-I143 VanDerWaalsContact CA-O 3.26Å; K139-I143 WeakPolarHBondContact CA-O 3.43Å; K139-I143 WeakPolarHBondContact CG-O 3.28Å; L140-I143 PolarHBondContact N-O 3.4Å; L140-I143 WeakPolarHBondContact O-CB 3.49Å; L140-I143 PolarHBondContact O-N 2.75Å; I143-T145 HydrophobicContact CG2-CG2 4.08Å; I143-R172 HydrophobicContact CG1-CG 4.42Å; I143-R172 HydrophobicContact CG2-CB 3.95Å; I143-R172 HydrophobicContact CG2-CG 3.94Å; I143-F204 HydrophobicContact CD1-CB 3.61Å; I143-F204 HydrophobicContact CD1-CD1 4.25Å; I143-F204 HydrophobicContact CD1-CD2 3Å; I143-F204 HydrophobicContact CD1-CE2 3.58Å; I143-F204 HydrophobicContact CD1-CG 3.35Å; I143-F204 HydrophobicContact CD1-CZ 4.42Å; I143-F204 HydrophobicContact CG1-CB 3.91Å; I143-F204 HydrophobicContact CG1-CD2 4.19Å; I143-F204 HydrophobicContact CG1-CG 4.11Å
144	E	91.8	Very high	92.8	Very high	132 Å²	132	47.3 Å²	47.3	62%	0.617	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.5	166.4	-174.6	168.6	178.4	0	0	108.5	Y138 K139	Y138-E144 WeakPolarHBondContact O-CA 3.41Å; K139-E144 HydrophobicContact CG-CB 4.47Å
145	T	94.2	Very high	93.1	Very high	3 Å²	3	47 Å²	47	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	-179.6	-177.4	-164.5	0	0	0	0	109.9	S137 Y138 I143 R172	S137-T145 CarbonylContact C-O 3.48Å; S137-T145 WeakPolarHBondContact CA-O 3.44Å; S137-T145 WeakPolarHBondContact CB-O 3.4Å; Y138-T145 HydrophobicContact CD2-CG2 4.2Å; Y138-T145 HydrophobicContact CE1-CG2 4.35Å; Y138-T145 HydrophobicContact CE2-CG2 3.43Å; Y138-T145 VanDerWaalsContact CE2-CG2 3.43Å; Y138-T145 PolarHBondContact N-O 3.14Å; Y138-T145 PolarHBondContact O-N 3.14Å; Y138-T145 VanDerWaalsContact O-N 3.1Å; Y138-T145 VanDerWaalsContact O-O 3.09Å; I143-T145 HydrophobicContact CG2-CG2 4.08Å; T145-R172 HydrophobicContact CG2-CB 4.02Å; T145-R172 WeakPolarHBondContact CG2-O 3.47Å
146	Q	94.8	Very high	93.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	169.1	171.8	83.2	-62.4	11.6	0	0	110.9	T68 V69 Y71 S173	T68-Q146 HydrophobicContact CG2-CG 3.71Å; V69-Q146 PolarHBondContact O-NE2 3.14Å; Y71-Q146 VanDerWaalsContact CE2-CD 3.5Å; Y71-Q146 VanDerWaalsContact N-NE2 3.18Å; Q146-S173 WeakPolarHBondContact O-CA 3.11Å; Q146-S173 WeakPolarHBondContact O-CB 3.3Å
147	G	96	Very high	93.8	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	17%	0.173	C	C	.	.			trans	-69	172.3	174.9	0	0	0	0	0	114	H134 S173	H134-G147 WeakPolarHBondContact O-CA 3.33Å; H134-G147 PolarHBondContact O-N 2.75Å; G147-S173 CarbonylContact C-O 3.55Å; G147-S173 VanDerWaalsContact C-O 3.27Å; G147-S173 WeakPolarHBondContact CA-O 3.33Å
148	F	97.1	Very high	94.4	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.145	C	C	.	.			trans	-104.7	-82.7	173.6	-174.7	-159.8	0	0	0	111.7	T68 P70 W96 W171 S173 R174 L337	T68-F148 PolarHBondContact N-O 3.33Å; T68-F148 VanDerWaalsContact O-CD2 3.3Å; T68-F148 WeakPolarHBondContact O-CD2 3.47Å; P70-F148 HydrophobicContact CB-CD2 4.41Å; P70-F148 HydrophobicContact CG-CD2 4.08Å; P70-F148 HydrophobicContact CG-CE2 4.01Å; W96-F148 HydrophobicContact CZ2-CE2 4.32Å; W96-F148 AromaticContact NE1-CE2 3.88Å; F148-W171 HydrophobicContact CD1-CE3 4.16Å; F148-W171 HydrophobicContact CD1-CZ3 4.13Å; F148-W171 HydrophobicContact CE1-CE3 4.21Å; F148-W171 AromaticContact CE1-CZ3 3.75Å; F148-W171 HydrophobicContact CE1-CZ3 3.75Å; F148-W171 HydrophobicContact CZ-CZ3 4.15Å; F148-S173 PolarHBondContact N-O 3.44Å; F148-R174 HydrophobicContact CB-CG 4.05Å; F148-R174 HydrophobicContact CD1-CG 4.02Å; F148-L337 HydrophobicContact CE1-CD2 4.19Å; F148-L337 HydrophobicContact CZ-CD2 3.84Å
149	Y	97.4	Very high	94.6	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.138	C	C	.	.			trans	-164.8	-178.5	179.9	54.9	20.5	0	0	0	111.7	A67 H134 A151 M152 I385	A67-Y149 HydrophobicContact CB-CD2 4.3Å; H134-Y149 VanDerWaalsContact CD2-CA 3.44Å; H134-Y149 WeakPolarHBondContact CD2-CA 3.45Å; H134-Y149 PolarHBondContact CE1-O 3.3Å; H134-Y149 WeakPolarHBondContact NE2-CA 3.22Å; H134-Y149 PolarHBondContact NE2-O 2.79Å; Y149-A151 HydrophobicContact CD1-CB 4.16Å; Y149-A151 HydrophobicContact CD2-CB 3.73Å; Y149-A151 HydrophobicContact CE1-CB 4.34Å; Y149-A151 HydrophobicContact CE2-CB 3.93Å; Y149-A151 HydrophobicContact CG-CB 3.85Å; Y149-M152 HydrophobicContact CE1-CB 4.31Å; Y149-M152 HydrophobicContact CE1-CG 3.87Å; Y149-M152 HydrophobicContact CE2-CE 4.44Å; Y149-M152 VanDerWaalsContact OH-CG 3.26Å; Y149-M152 WeakPolarHBondContact OH-CG 3.16Å; Y149-I385 HydrophobicContact CD2-CD1 4.16Å; Y149-I385 HydrophobicContact CE2-CB 4.42Å; Y149-I385 HydrophobicContact CE2-CD1 4.13Å; Y149-I385 HydrophobicContact CE2-CG1 4.37Å; Y149-I385 WeakPolarHBondContact CE2-O 3.32Å; Y149-I385 PolarHBondContact OH-O 3.17Å
150	A	97.8	Very high	95	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-121.1	34.2	168.4	0	0	0	0	0	111.3	G62 T63 P129 H134 A180 Y181	G62-A150 CarbonylContact C-O 3.55Å; G62-A150 WeakPolarHBondContact CA-O 3.35Å; T63-A150 HydrophobicContact CG2-CB 4.06Å; T63-A150 PolarHBondContact N-O 2.98Å; T63-A150 CarbonylContact O-C 3.34Å; P129-A150 HydrophobicContact CB-CB 4.39Å; P129-A150 HydrophobicContact CG-CB 4.11Å; H134-A150 PolarHBondContact NE2-N 2.83Å; A150-A180 HydrophobicContact CB-CB 3.55Å; A150-Y181 PolarHBondContact O-OH 3.01Å
151	A	98.1	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-81.4	-33.2	-175.8	0	0	0	0	0	113.1	G62 T63 Y149 P153 I385 W392	G62-A151 WeakPolarHBondContact CA-O 3.49Å; T63-A151 WeakPolarHBondContact O-CA 3.17Å; T63-A151 PolarHBondContact O-N 2.88Å; Y149-A151 HydrophobicContact CD1-CB 4.16Å; Y149-A151 HydrophobicContact CD2-CB 3.73Å; Y149-A151 HydrophobicContact CE1-CB 4.34Å; Y149-A151 HydrophobicContact CE2-CB 3.93Å; Y149-A151 HydrophobicContact CG-CB 3.85Å; A151-P153 VanDerWaalsContact C-CD 3.47Å; A151-P153 WeakPolarHBondContact O-CD 3.4Å; A151-I385 HydrophobicContact CB-CD1 4.12Å; A151-W392 HydrophobicContact CB-CE3 4.34Å; A151-W392 HydrophobicContact CB-CH2 3.85Å; A151-W392 HydrophobicContact CB-CZ2 4.21Å; A151-W392 HydrophobicContact CB-CZ3 3.91Å
152	M	98.4	Very high	96.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.077	C	C	.	.			trans	-115.5	75	-170	-51.8	-56.2	174	0	0	111.9	Y149 R154 D155 I385 G387 C391 W392	Y149-M152 HydrophobicContact CE1-CB 4.31Å; Y149-M152 HydrophobicContact CE1-CG 3.87Å; Y149-M152 HydrophobicContact CE2-CE 4.44Å; Y149-M152 VanDerWaalsContact OH-CG 3.26Å; Y149-M152 WeakPolarHBondContact OH-CG 3.16Å; M152-R154 PolarHBondContact O-N 3.02Å; M152-R154 VanDerWaalsContact O-N 3.14Å; M152-D155 HydrophobicContact CB-CB 4.29Å; M152-D155 VanDerWaalsContact CB-CG 3.43Å; M152-D155 VanDerWaalsContact CB-OD2 3.24Å; M152-D155 WeakPolarHBondContact CB-OD2 3.26Å; M152-D155 WeakPolarHBondContact O-CB 3.47Å; M152-D155 PolarHBondContact O-N 3.31Å; M152-D155 VanDerWaalsContact O-N 3.13Å; M152-I385 HydrophobicContact CE-CG1 4.26Å; M152-G387 VanDerWaalsContact CE-N 3.27Å; M152-C391 CarbonylContact C-O 3.52Å; M152-C391 VanDerWaalsContact CA-O 3.23Å; M152-C391 WeakPolarHBondContact CA-O 3.43Å; M152-C391 HydrophobicContact CG-CB 4.48Å; M152-C391 HydrophobicContact SD-CB 3.67Å; M152-W392 HydrophobicContact CE-CD2 4.47Å; M152-W392 HydrophobicContact CE-CZ2 4.29Å; M152-W392 HydrophobicContact SD-CD2 4.25Å; M152-W392 HydrophobicContact SD-CG 3.95Å
153	P	98.7	Very high	96.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.2	-27.4	178.7	23.9	-35.6	0	0	0	113.3	I60 A151 D155 F156 L157 Y181 W392 C394	I60-P153 HydrophobicContact CB-CB 4.42Å; I60-P153 HydrophobicContact CG2-CB 3.94Å; I60-P153 HydrophobicContact CG2-CG 4.13Å; A151-P153 VanDerWaalsContact C-CD 3.47Å; A151-P153 WeakPolarHBondContact O-CD 3.4Å; P153-D155 PolarHBondContact O-N 3.45Å; P153-F156 PolarHBondContact O-N 3Å; P153-L157 PolarHBondContact O-N 3.16Å; P153-Y181 VanDerWaalsContact CA-OH 3.29Å; P153-Y181 WeakPolarHBondContact CA-OH 3.45Å; P153-Y181 HydrophobicContact CB-CE1 3.64Å; P153-W392 WeakPolarHBondContact CD-O 3.5Å; P153-W392 WeakPolarHBondContact CG-O 3.32Å; P153-C394 HydrophobicContact CB-CB 3.77Å; P153-C394 HydrophobicContact CG-CB 4.22Å
154	R	98.8	Very high	97.5	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.026	5%	0.053	C	C	.	.	H	α-helix	trans	-60	-34.7	177.4	-170.5	56.8	60.1	176.8	3	113.3	E52 M152 F156 A238 A239 H390 C391 T393 D395	E52-R154 IonicContact OE2-NH1 2.75Å; M152-R154 PolarHBondContact O-N 3.02Å; M152-R154 VanDerWaalsContact O-N 3.14Å; R154-F156 PolarHBondContact O-N 3.33Å; R154-A238 CarbonylContact O-C 3.58Å; R154-A238 VanDerWaalsContact O-CB 3.22Å; R154-A238 WeakPolarHBondContact O-CB 3.32Å; R154-A239 HydrophobicContact CB-CB 4.49Å; R154-A239 HydrophobicContact CG-CB 3.89Å; R154-A239 PolarHBondContact O-N 3.01Å; R154-H390 WeakPolarHBondContact CB-O 3.44Å; R154-H390 VanDerWaalsContact CD-CE1 3.45Å; R154-H390 WeakPolarHBondContact CD-CE1 3.21Å; R154-H390 PolarHBondContact NE-CE1 3.31Å; R154-H390 PolarHBondContact NE-O 3.2Å; R154-C391 WeakPolarHBondContact CB-O 3.35Å; R154-C391 PolarHBondContact N-O 3.32Å; R154-T393 WeakPolarHBondContact CB-O 3.31Å; R154-T393 PolarHBondContact NE-O 3.25Å; R154-T393 PolarHBondContact NH2-O 3.49Å; R154-D395 IonicContact CZ-OD1 3.32Å; R154-D395 VanDerWaalsContact CZ-OD1 3.23Å; R154-D395 IonicContact NH1-OD1 2.72Å; R154-D395 PolarHBondContact NH1-OD1 2.85Å; R154-D395 IonicContact NH2-OD1 3.21Å; R154-D395 PolarHBondContact NH2-OD1 3.47Å
155	D	98.6	Very high	97.9	Very high	3 Å²	3	4.4 Å²	4.4	2%	0.016	2%	0.024	C	C	.	.	H	α-helix	trans	-69.3	-28.4	-177.4	-59.1	4.3	0	0	0	111.6	M152 P153 M169 R174 D237 A238 H287	M152-D155 HydrophobicContact CB-CB 4.29Å; M152-D155 VanDerWaalsContact CB-CG 3.43Å; M152-D155 VanDerWaalsContact CB-OD2 3.24Å; M152-D155 WeakPolarHBondContact CB-OD2 3.26Å; M152-D155 WeakPolarHBondContact O-CB 3.47Å; M152-D155 PolarHBondContact O-N 3.31Å; M152-D155 VanDerWaalsContact O-N 3.13Å; P153-D155 PolarHBondContact O-N 3.45Å; D155-M169 HydrophobicContact CB-CE 4.25Å; D155-R174 IonicContact OD2-CZ 2.84Å; D155-R174 IonicContact OD2-NH1 3.94Å; D155-R174 PolarHBondContact OD2-NH1 3.33Å; D155-R174 IonicContact OD2-NH2 3.7Å; D155-R174 PolarHBondContact OD2-NH2 3.48Å; D155-D237 CarbonylContact O-C 3.59Å; D155-D237 WeakPolarHBondContact O-CA 3.46Å; D155-A238 PolarHBondContact O-N 3.22Å; D155-H287 IonicContact OD1-CE1 3.32Å; D155-H287 PolarHBondContact OD1-CE1 2.93Å; D155-H287 IonicContact OD1-ND1 3.7Å; D155-H287 IonicContact OD2-CE1 2.83Å; D155-H287 PolarHBondContact OD2-CE1 3.23Å; D155-H287 VanDerWaalsContact OD2-CE1 3.32Å
156	F	98.3	Very high	98.1	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-104.7	-37.9	-173.4	177.3	-118.5	0	0	0	113.6	P153 R154 E166 A167 M169 Y181	P153-F156 PolarHBondContact O-N 3Å; R154-F156 PolarHBondContact O-N 3.33Å; F156-E166 HydrophobicContact CE1-CB 4.26Å; F156-E166 HydrophobicContact CE1-CG 3.85Å; F156-E166 HydrophobicContact CE2-CB 3.74Å; F156-E166 HydrophobicContact CE2-CG 4.23Å; F156-E166 HydrophobicContact CZ-CB 3.42Å; F156-E166 VanDerWaalsContact CZ-CB 3.42Å; F156-E166 HydrophobicContact CZ-CG 3.39Å; F156-E166 WeakPolarHBondContact CZ-OE2 3.26Å; F156-A167 WeakPolarHBondContact CE2-O 3.41Å; F156-A167 VanDerWaalsContact O-CB 3.3Å; F156-A167 WeakPolarHBondContact O-CB 3.33Å; F156-A167 PolarHBondContact O-N 3.38Å; F156-M169 HydrophobicContact CB-SD 4.07Å; F156-M169 HydrophobicContact CD2-CG 3.83Å; F156-M169 HydrophobicContact CD2-SD 3.65Å; F156-M169 HydrophobicContact CE2-CG 4.39Å; F156-M169 HydrophobicContact CG-SD 4.35Å; F156-Y181 HydrophobicContact CB-CE2 4.49Å; F156-Y181 AromaticContact CD1-CD2 3.42Å; F156-Y181 HydrophobicContact CD1-CD2 3.42Å; F156-Y181 VanDerWaalsContact CD1-CD2 3.42Å; F156-Y181 AromaticContact CD1-CE2 3.95Å; F156-Y181 HydrophobicContact CD1-CE2 3.95Å; F156-Y181 HydrophobicContact CD1-CG 4.03Å; F156-Y181 AromaticContact CE1-CD2 3.92Å; F156-Y181 HydrophobicContact CE1-CD2 3.92Å; F156-Y181 HydrophobicContact CE1-CG 4.34Å; F156-Y181 HydrophobicContact CG-CD2 4.39Å
157	L	98.6	Very high	98.3	Very high	5 Å²	5	4.1 Å²	4.1	3%	0.026	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.6	-172.5	-61.4	176.4	0	0	0	111.4	I60 P153 I164 E166 Y181 C394	I60-L157 HydrophobicContact CD1-CD1 3.56Å; P153-L157 PolarHBondContact O-N 3.16Å; L157-I164 HydrophobicContact CD2-CG2 3.94Å; L157-E166 HydrophobicContact CD2-CG 4.29Å; L157-Y181 HydrophobicContact CD1-CD1 3.92Å; L157-Y181 HydrophobicContact CD1-CG 4.17Å; L157-C394 HydrophobicContact CB-CB 4.46Å
158	L	98.7	Very high	98.4	Very high	5 Å²	5	3.9 Å²	3.9	3%	0.026	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.4	168.8	178.5	63.3	0	0	0	109.6	V160 I165 A238 F241 R243 V264	L158-V160 HydrophobicContact CD1-CG2 4.35Å; L158-V160 HydrophobicContact CD2-CG2 4.18Å; L158-V160 HydrophobicContact CG-CG2 3.86Å; L158-I165 HydrophobicContact CB-CB 4.22Å; L158-I165 HydrophobicContact CD2-CD1 4.43Å; L158-I165 PolarHBondContact N-O 2.8Å; L158-I165 WeakPolarHBondContact O-CB 3.4Å; L158-I165 PolarHBondContact O-N 2.92Å; L158-A238 HydrophobicContact CB-CB 3.77Å; L158-F241 HydrophobicContact CD1-CB 4.13Å; L158-F241 HydrophobicContact CD2-CB 4.47Å; L158-F241 HydrophobicContact CD2-CG 4.4Å; L158-R243 HydrophobicContact CD1-CG 4.29Å; L158-V264 HydrophobicContact CD2-CG1 4.2Å
159	I	98.8	Very high	98.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.2	177.2	-52.8	-57.5	0	0	0	109.8	V47 E163 I164 R243 C394 I396	V47-I159 HydrophobicContact CG1-CD1 4.43Å; V47-I159 HydrophobicContact CG1-CG2 3.63Å; I159-E163 WeakPolarHBondContact CA-O 3.36Å; I159-I164 HydrophobicContact CD1-CB 4.14Å; I159-I164 HydrophobicContact CD1-CG1 3.86Å; I159-I164 HydrophobicContact CD1-CG2 3.97Å; I159-R243 WeakPolarHBondContact O-CD 3.22Å; I159-R243 PolarHBondContact O-NE 3.38Å; I159-R243 PolarHBondContact O-NH1 3.35Å; I159-C394 WeakPolarHBondContact CG1-SG 3.43Å; I159-I396 HydrophobicContact CD1-CD1 3.81Å; I159-I396 HydrophobicContact CG1-CD1 4.15Å
160	V	98.7	Very high	98.2	Very high	3 Å²	3	3.9 Å²	3.9	2%	0.018	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	91.8	178.5	-171.5	0	0	0	0	110.7	W50 L158 D162 E163 I165 I248 L268 R271 I273	W50-V160 HydrophobicContact CZ3-CG1 4.46Å; L158-V160 HydrophobicContact CD1-CG2 4.35Å; L158-V160 HydrophobicContact CD2-CG2 4.18Å; L158-V160 HydrophobicContact CG-CG2 3.86Å; V160-D162 PolarHBondContact O-N 2.73Å; V160-E163 PolarHBondContact N-O 3.05Å; V160-E163 PolarHBondContact O-N 3.48Å; V160-I165 HydrophobicContact CG2-CD1 4.12Å; V160-I248 HydrophobicContact CG1-CD1 4.27Å; V160-I248 HydrophobicContact CG2-CD1 4Å; V160-L268 HydrophobicContact CB-CD2 4.27Å; V160-L268 HydrophobicContact CG1-CD1 4.26Å; V160-L268 HydrophobicContact CG1-CD2 4.02Å; V160-L268 HydrophobicContact CG2-CD1 4.02Å; V160-L268 HydrophobicContact CG2-CD2 4.4Å; V160-R271 PolarHBondContact O-NH1 2.98Å; V160-R271 PolarHBondContact O-NH2 3.2Å; V160-I273 HydrophobicContact CG1-CD1 3.29Å
161	G	98.4	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	65.3	-119.5	-173	0	0	0	0	0	110.7	N48 S49 W50 E163	N48-G161 WeakPolarHBondContact CA-O 3.45Å; S49-G161 PolarHBondContact N-O 2.98Å; S49-G161 VanDerWaalsContact N-O 3.11Å; S49-G161 WeakPolarHBondContact O-CA 3.41Å; S49-G161 PolarHBondContact O-N 3.25Å; W50-G161 VanDerWaalsContact CE2-CA 3.45Å; W50-G161 VanDerWaalsContact CZ2-CA 3.47Å; G161-E163 VanDerWaalsContact C-N 3.27Å; G161-E163 PolarHBondContact O-N 3.3Å
162	D	98	Very high	98.1	Very high	43 Å²	43	5.6 Å²	5.6	23%	0.23	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	10.3	178.9	65.7	-28.3	0	0	0	114.8	V47 V160 K194 R271	V47-D162 WeakPolarHBondContact O-CA 3.32Å; V160-D162 PolarHBondContact O-N 2.73Å; D162-K194 PolarHBondContact O-N 3.18Å; D162-K194 WeakPolarHBondContact OD2-CE 3.45Å; D162-K194 IonicContact OD2-NZ 3.48Å; D162-R271 IonicContact OD1-CZ 2.73Å; D162-R271 IonicContact OD1-NH2 3.36Å; D162-R271 PolarHBondContact OD1-NH2 3.41Å
163	E	98.6	Very high	98	Very high	7 Å²	7	5.8 Å²	5.8	3%	0.033	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.5	-173	-172.3	176	-172.6	0	0	112.4	I159 V160 G161 I165 K194 T196 H267 R271	I159-E163 WeakPolarHBondContact CA-O 3.36Å; V160-E163 PolarHBondContact N-O 3.05Å; V160-E163 PolarHBondContact O-N 3.48Å; G161-E163 VanDerWaalsContact C-N 3.27Å; G161-E163 PolarHBondContact O-N 3.3Å; E163-I165 HydrophobicContact CG-CG1 3.92Å; E163-K194 WeakPolarHBondContact CA-O 3.3Å; E163-K194 HydrophobicContact CB-CB 3.91Å; E163-K194 HydrophobicContact CG-CB 3.87Å; E163-T196 WeakPolarHBondContact OE1-CB 3.49Å; E163-T196 PolarHBondContact OE1-OG1 3Å; E163-H267 IonicContact OE1-CD2 3.58Å; E163-H267 IonicContact OE1-CE1 2.76Å; E163-H267 PolarHBondContact OE1-CE1 2.99Å; E163-H267 IonicContact OE1-NE2 3.63Å; E163-H267 PolarHBondContact OE1-NE2 3.25Å; E163-H267 IonicContact OE2-NE2 2.8Å; E163-R271 IonicContact OE2-CZ 3.65Å; E163-R271 IonicContact OE2-NH1 2.97Å; E163-R271 PolarHBondContact OE2-NH1 3.12Å
164	I	98.8	Very high	97.9	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.1	166.3	-52.3	175.2	0	0	0	107.9	V47 L157 I159 Y188 K194 W195 T196	V47-I164 HydrophobicContact CB-CG1 4.46Å; V47-I164 HydrophobicContact CG1-CG1 3.98Å; V47-I164 HydrophobicContact CG2-CD1 3.74Å; V47-I164 HydrophobicContact CG2-CG1 3.8Å; L157-I164 HydrophobicContact CD2-CG2 3.94Å; I159-I164 HydrophobicContact CD1-CB 4.14Å; I159-I164 HydrophobicContact CD1-CG1 3.86Å; I159-I164 HydrophobicContact CD1-CG2 3.97Å; I164-Y188 HydrophobicContact CD1-CD2 3.64Å; I164-Y188 HydrophobicContact CD1-CG 4.05Å; I164-K194 PolarHBondContact N-O 3.01Å; I164-W195 WeakPolarHBondContact O-CA 3.31Å; I164-T196 PolarHBondContact O-N 3.33Å
165	I	98.8	Very high	97.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.7	175	-56.3	174.6	0	0	0	108.6	L158 V160 E163 A167 T196 W263 L268	L158-I165 HydrophobicContact CB-CB 4.22Å; L158-I165 HydrophobicContact CD2-CD1 4.43Å; L158-I165 PolarHBondContact N-O 2.8Å; L158-I165 WeakPolarHBondContact O-CB 3.4Å; L158-I165 PolarHBondContact O-N 2.92Å; V160-I165 HydrophobicContact CG2-CD1 4.12Å; E163-I165 HydrophobicContact CG-CG1 3.92Å; I165-A167 PolarHBondContact O-N 2.76Å; I165-T196 WeakPolarHBondContact CA-O 3.37Å; I165-T196 HydrophobicContact CG2-CG2 4.46Å; I165-W263 HydrophobicContact CG2-CH2 4.18Å; I165-W263 HydrophobicContact CG2-CZ3 4.04Å; I165-L268 HydrophobicContact CD1-CD2 4.02Å
166	E	98.7	Very high	97.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.4	168.4	-65.7	-172.6	-168.9	0	0	109.3	F156 L157 R182 W195 T196 I197 A198	F156-E166 HydrophobicContact CE1-CB 4.26Å; F156-E166 HydrophobicContact CE1-CG 3.85Å; F156-E166 HydrophobicContact CE2-CB 3.74Å; F156-E166 HydrophobicContact CE2-CG 4.23Å; F156-E166 HydrophobicContact CZ-CB 3.42Å; F156-E166 VanDerWaalsContact CZ-CB 3.42Å; F156-E166 HydrophobicContact CZ-CG 3.39Å; F156-E166 WeakPolarHBondContact CZ-OE2 3.26Å; L157-E166 HydrophobicContact CD2-CG 4.29Å; E166-R182 IonicContact OE1-CZ 3.11Å; E166-R182 IonicContact OE1-NE 2.65Å; E166-R182 IonicContact OE1-NH2 3.12Å; E166-R182 IonicContact OE2-NH2 3.72Å; E166-R182 PolarHBondContact OE2-NH2 3.05Å; E166-R182 VanDerWaalsContact OE2-NH2 3.13Å; E166-W195 VanDerWaalsContact OE1-CE2 3.27Å; E166-W195 WeakPolarHBondContact OE1-CZ2 3.39Å; E166-W195 PolarHBondContact OE1-NE1 3.04Å; E166-T196 PolarHBondContact N-O 3.22Å; E166-I197 HydrophobicContact CB-CB 4.46Å; E166-I197 HydrophobicContact CB-CG1 4.32Å; E166-I197 HydrophobicContact CB-CG2 4.27Å; E166-I197 HydrophobicContact CG-CG1 4.32Å; E166-A198 VanDerWaalsContact O-CB 3.28Å; E166-A198 WeakPolarHBondContact O-CB 3.49Å; E166-A198 PolarHBondContact O-N 3.41Å
167	A	98.6	Very high	97.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.			trans	-64.6	156.4	175.7	0	0	0	0	0	111.8	F156 I165 M169 K200 F236 A238	F156-A167 WeakPolarHBondContact CE2-O 3.41Å; F156-A167 VanDerWaalsContact O-CB 3.3Å; F156-A167 WeakPolarHBondContact O-CB 3.33Å; F156-A167 PolarHBondContact O-N 3.38Å; I165-A167 PolarHBondContact O-N 2.76Å; A167-M169 HydrophobicContact CB-SD 3.96Å; A167-M169 PolarHBondContact O-N 3.05Å; A167-K200 PolarHBondContact O-NZ 2.95Å; A167-F236 HydrophobicContact CB-CD2 3.83Å; A167-F236 HydrophobicContact CB-CE2 3.51Å; A167-F236 HydrophobicContact CB-CZ 4.24Å; A167-A238 HydrophobicContact CB-CB 4.09Å
168	T	97.6	Very high	97.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.			trans	-63.7	-37.6	-179.4	71.2	0	0	0	0	110.3	A198 P199 K200 C235 F236	T168-A198 HydrophobicContact CG2-CB 3.59Å; T168-P199 WeakPolarHBondContact CB-O 3.41Å; T168-P199 WeakPolarHBondContact CG2-O 3.48Å; T168-K200 WeakPolarHBondContact O-CD 3.46Å; T168-K200 PolarHBondContact O-NZ 3Å; T168-C235 VanDerWaalsContact OG1-CA 3.26Å; T168-C235 WeakPolarHBondContact OG1-CA 3.3Å; T168-F236 HydrophobicContact CG2-CD1 3.74Å; T168-F236 HydrophobicContact CG2-CE1 3.61Å; T168-F236 HydrophobicContact CG2-CZ 4.45Å; T168-F236 PolarHBondContact OG1-N 3.13Å; T168-F236 PolarHBondContact OG1-O 3.25Å
169	M	96.9	Very high	97.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	7%	0.071	C	C	.	.			trans	62.4	148.4	-162.3	-48.4	-50.2	-69.4	0	0	112.3	D155 F156 A167 R174 P201 F236 D237	D155-M169 HydrophobicContact CB-CE 4.25Å; F156-M169 HydrophobicContact CB-SD 4.07Å; F156-M169 HydrophobicContact CD2-CG 3.83Å; F156-M169 HydrophobicContact CD2-SD 3.65Å; F156-M169 HydrophobicContact CE2-CG 4.39Å; F156-M169 HydrophobicContact CG-SD 4.35Å; A167-M169 HydrophobicContact CB-SD 3.96Å; A167-M169 PolarHBondContact O-N 3.05Å; M169-R174 HydrophobicContact CB-CB 4.05Å; M169-R174 HydrophobicContact CE-CB 4.06Å; M169-R174 HydrophobicContact CG-CB 4.34Å; M169-P201 WeakPolarHBondContact O-CG 3.46Å; M169-F236 PolarHBondContact N-O 3.05Å; M169-F236 VanDerWaalsContact N-O 3.1Å; M169-D237 WeakPolarHBondContact CE-OD1 3.47Å
170	T	95.1	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.			trans	-117	-27.9	-178.5	-62.9	0	0	0	0	113.1	R172 F204 I208 T229 C235 V255	T170-R172 PolarHBondContact O-N 3.23Å; T170-F204 WeakPolarHBondContact O-CE1 3.25Å; T170-I208 HydrophobicContact CG2-CD1 4.35Å; T170-I208 WeakPolarHBondContact O-CD1 3.18Å; T170-T229 HydrophobicContact CG2-CG2 3.45Å; T170-T229 VanDerWaalsContact CG2-CG2 3.45Å; T170-C235 VanDerWaalsContact OG1-CB 3.32Å; T170-C235 WeakPolarHBondContact OG1-CB 3.45Å; T170-C235 PolarHBondContact OG1-SG 3.11Å; T170-C235 VanDerWaalsContact OG1-SG 3.4Å; T170-V255 WeakPolarHBondContact CB-O 3.22Å; T170-V255 HydrophobicContact CG2-CB 4.48Å; T170-V255 PolarHBondContact OG1-O 3.35Å
171	W	96.4	Very high	97.1	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.015	7%	0.07	C	C	.	.	S	Bend	trans	-69.9	128.9	174.4	-77.4	18.7	0	0	0	110.8	P70 E75 V76 C79 F148 S173 R174 M286 L337	P70-W171 HydrophobicContact CB-CZ3 4.41Å; P70-W171 HydrophobicContact CG-CZ3 3.93Å; E75-W171 HydrophobicContact CG-CB 4.37Å; E75-W171 HydrophobicContact CG-CG 3.98Å; E75-W171 PolarHBondContact O-NE1 3.35Å; V76-W171 HydrophobicContact CB-CH2 4.26Å; V76-W171 HydrophobicContact CB-CZ2 4.23Å; V76-W171 HydrophobicContact CG1-CH2 3.88Å; V76-W171 HydrophobicContact CG1-CZ2 4.29Å; V76-W171 HydrophobicContact CG1-CZ3 4.21Å; V76-W171 HydrophobicContact CG2-CD2 3.83Å; V76-W171 HydrophobicContact CG2-CE3 3.79Å; V76-W171 HydrophobicContact CG2-CG 4.5Å; V76-W171 HydrophobicContact CG2-CH2 4.08Å; V76-W171 HydrophobicContact CG2-CZ2 4.11Å; V76-W171 HydrophobicContact CG2-CZ3 3.92Å; C79-W171 HydrophobicContact CB-CZ2 3.75Å; F148-W171 HydrophobicContact CD1-CE3 4.16Å; F148-W171 HydrophobicContact CD1-CZ3 4.13Å; F148-W171 HydrophobicContact CE1-CE3 4.21Å; F148-W171 AromaticContact CE1-CZ3 3.75Å; F148-W171 HydrophobicContact CE1-CZ3 3.75Å; F148-W171 HydrophobicContact CZ-CZ3 4.15Å; W171-S173 PolarHBondContact O-N 3.14Å; W171-S173 VanDerWaalsContact O-N 3.13Å; W171-R174 HydrophobicContact CB-CB 4.09Å; W171-R174 HydrophobicContact CB-CG 3.68Å; W171-R174 HydrophobicContact CE3-CG 4.47Å; W171-R174 PolarHBondContact O-N 2.97Å; W171-M286 HydrophobicContact CZ2-SD 4.16Å; W171-L337 HydrophobicContact CH2-CD1 4.19Å; W171-L337 HydrophobicContact CH2-CD2 4.23Å
172	R	95.9	Very high	97.1	Very high	33 Å²	33	18.9 Å²	18.9	13%	0.125	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-54.6	-36.5	177.1	-71.8	169.3	-174.8	134	-3.1	110.8	L73 E75 Y138 I143 T145 T170 R174 Y175 F204	L73-R172 HydrophobicContact CD1-CB 4.28Å; E75-R172 WeakPolarHBondContact OE1-CB 3.25Å; E75-R172 WeakPolarHBondContact OE1-CD 3.07Å; E75-R172 WeakPolarHBondContact OE1-CG 3.46Å; E75-R172 PolarHBondContact OE1-N 2.89Å; E75-R172 IonicContact OE1-NH1 2.75Å; E75-R172 IonicContact OE2-CZ 3.62Å; E75-R172 IonicContact OE2-NH1 2.79Å; E75-R172 PolarHBondContact OE2-NH1 2.98Å; Y138-R172 PolarHBondContact OH-O 2.92Å; I143-R172 HydrophobicContact CG1-CG 4.42Å; I143-R172 HydrophobicContact CG2-CB 3.95Å; I143-R172 HydrophobicContact CG2-CG 3.94Å; T145-R172 HydrophobicContact CG2-CB 4.02Å; T145-R172 WeakPolarHBondContact CG2-O 3.47Å; T170-R172 PolarHBondContact O-N 3.23Å; R172-R174 PolarHBondContact O-N 3.2Å; R172-Y175 PolarHBondContact O-N 3.31Å; R172-F204 HydrophobicContact CB-CD1 4.41Å; R172-F204 HydrophobicContact CB-CE1 4.33Å; R172-F204 HydrophobicContact CG-CB 4.33Å; R172-F204 HydrophobicContact CG-CD1 3.21Å; R172-F204 HydrophobicContact CG-CE1 3.55Å; R172-F204 HydrophobicContact CG-CG 3.92Å; R172-F204 HydrophobicContact CG-CZ 4.47Å; R172-F204 PolarHBondContact NH2-O 3.31Å
173	S	96.6	Very high	97.1	Very high	5 Å²	5	19.4 Å²	19.4	4%	0.035	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-71.9	-7.3	177	57	0	0	0	0	115.5	Y138 Q146 G147 F148 W171	Y138-S173 VanDerWaalsContact OH-C 3.25Å; Y138-S173 VanDerWaalsContact OH-CA 3.29Å; Y138-S173 WeakPolarHBondContact OH-CA 3.17Å; Y138-S173 PolarHBondContact OH-O 2.69Å; Q146-S173 WeakPolarHBondContact O-CA 3.11Å; Q146-S173 WeakPolarHBondContact O-CB 3.3Å; G147-S173 CarbonylContact C-O 3.55Å; G147-S173 VanDerWaalsContact C-O 3.27Å; G147-S173 WeakPolarHBondContact CA-O 3.33Å; F148-S173 PolarHBondContact N-O 3.44Å; W171-S173 PolarHBondContact O-N 3.14Å; W171-S173 VanDerWaalsContact O-N 3.13Å
174	R	96.6	Very high	97.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.015	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-109	4.6	179.2	-57.8	-173.4	79.2	168.3	14.5	112.7	F148 D155 M169 W171 R172 F176 E177 D237	F148-R174 HydrophobicContact CB-CG 4.05Å; F148-R174 HydrophobicContact CD1-CG 4.02Å; D155-R174 IonicContact OD2-CZ 2.84Å; D155-R174 IonicContact OD2-NH1 3.94Å; D155-R174 PolarHBondContact OD2-NH1 3.33Å; D155-R174 IonicContact OD2-NH2 3.7Å; D155-R174 PolarHBondContact OD2-NH2 3.48Å; M169-R174 HydrophobicContact CB-CB 4.05Å; M169-R174 HydrophobicContact CE-CB 4.06Å; M169-R174 HydrophobicContact CG-CB 4.34Å; W171-R174 HydrophobicContact CB-CB 4.09Å; W171-R174 HydrophobicContact CB-CG 3.68Å; W171-R174 HydrophobicContact CE3-CG 4.47Å; W171-R174 PolarHBondContact O-N 2.97Å; R172-R174 PolarHBondContact O-N 3.2Å; R174-F176 VanDerWaalsContact C-N 3.3Å; R174-F176 PolarHBondContact O-N 3.36Å; R174-E177 HydrophobicContact CB-CB 4.42Å; R174-E177 WeakPolarHBondContact CG-OE2 3.1Å; R174-E177 IonicContact CZ-OE1 3.76Å; R174-E177 IonicContact CZ-OE2 3.91Å; R174-E177 IonicContact NE-OE1 3.27Å; R174-E177 IonicContact NE-OE2 2.58Å; R174-E177 PolarHBondContact NE-OE2 2.97Å; R174-E177 IonicContact NH2-OE1 3.95Å; R174-E177 PolarHBondContact NH2-OE1 2.92Å; R174-E177 IonicContact NH2-OE2 2.69Å; R174-E177 PolarHBondContact NH2-OE2 3.48Å; R174-E177 VanDerWaalsContact O-CB 3.26Å; R174-E177 WeakPolarHBondContact O-CB 3.49Å; R174-E177 PolarHBondContact O-N 3.21Å; R174-E177 VanDerWaalsContact O-N 3.11Å; R174-D237 IonicContact NH1-OD2 3.75Å; R174-D237 PolarHBondContact NH1-OD2 2.94Å
175	Y	95.4	Very high	97	Very high	32 Å²	32	20.2 Å²	20.2	13%	0.125	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-45.9	-176.9	-165.3	-89.7	0	0	0	112.8	L140 R172 Y178 K200 P201 F204	L140-Y175 HydrophobicContact CD2-CD1 3.83Å; L140-Y175 HydrophobicContact CD2-CD2 4.21Å; L140-Y175 HydrophobicContact CD2-CE1 3.26Å; L140-Y175 HydrophobicContact CD2-CE2 3.7Å; L140-Y175 HydrophobicContact CD2-CG 4.26Å; L140-Y175 WeakPolarHBondContact CD2-OH 3.39Å; R172-Y175 PolarHBondContact O-N 3.31Å; Y175-Y178 VanDerWaalsContact O-CD1 3.31Å; Y175-Y178 WeakPolarHBondContact O-CD1 3.47Å; Y175-Y178 WeakPolarHBondContact O-CE1 3.44Å; Y175-K200 HydrophobicContact CE2-CB 4.28Å; Y175-K200 HydrophobicContact CE2-CD 4.47Å; Y175-K200 PolarHBondContact O-NZ 2.87Å; Y175-P201 VanDerWaalsContact CE2-O 3.3Å; Y175-P201 WeakPolarHBondContact CE2-O 3.44Å; Y175-P201 PolarHBondContact OH-O 3.26Å; Y175-F204 AromaticContact CD2-CE2 3.91Å; Y175-F204 HydrophobicContact CD2-CE2 3.91Å; Y175-F204 AromaticContact CD2-CZ 3.77Å; Y175-F204 HydrophobicContact CD2-CZ 3.77Å; Y175-F204 AromaticContact CE2-CE2 3.97Å; Y175-F204 HydrophobicContact CE2-CE2 3.97Å; Y175-F204 HydrophobicContact CE2-CZ 4.23Å
176	F	95.3	Very high	97	Very high	56 Å²	56	23.3 Å²	23.3	25%	0.246	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15.4	-179.1	-69.9	-72.4	0	0	0	114.1	Y138 R174 Y178 L179	Y138-F176 AromaticContact CD1-CD2 3.72Å; Y138-F176 HydrophobicContact CD1-CD2 3.72Å; Y138-F176 HydrophobicContact CD1-CE2 4.29Å; Y138-F176 AromaticContact CD2-CD2 3.64Å; Y138-F176 HydrophobicContact CD2-CD2 3.64Å; Y138-F176 AromaticContact CD2-CE2 3.54Å; Y138-F176 HydrophobicContact CD2-CE2 3.54Å; Y138-F176 AromaticContact CE1-CD2 3.81Å; Y138-F176 HydrophobicContact CE1-CD2 3.81Å; Y138-F176 AromaticContact CE2-CD2 3.73Å; Y138-F176 HydrophobicContact CE2-CD2 3.73Å; Y138-F176 AromaticContact CE2-CE2 3.97Å; Y138-F176 HydrophobicContact CE2-CE2 3.97Å; Y138-F176 AromaticContact CG-CD2 3.6Å; Y138-F176 HydrophobicContact CG-CD2 3.6Å; Y138-F176 AromaticContact CG-CE2 3.69Å; Y138-F176 HydrophobicContact CG-CE2 3.69Å; Y138-F176 AromaticContact CZ-CD2 3.79Å; R174-F176 VanDerWaalsContact C-N 3.3Å; R174-F176 PolarHBondContact O-N 3.36Å; F176-Y178 HydrophobicContact CB-CE1 4.46Å; F176-Y178 AromaticContact CD1-CE1 3.63Å; F176-Y178 HydrophobicContact CD1-CE1 3.63Å; F176-Y178 AromaticContact CD1-CZ 3.67Å; F176-Y178 VanDerWaalsContact CD1-OH 3.27Å; F176-Y178 WeakPolarHBondContact CD1-OH 3.27Å; F176-Y178 HydrophobicContact CE1-CE1 4.31Å; F176-Y178 WeakPolarHBondContact CE1-OH 3.43Å; F176-Y178 HydrophobicContact CG-CE1 4.39Å; F176-Y178 PolarHBondContact O-N 3.4Å; F176-Y178 VanDerWaalsContact O-N 3.13Å; F176-L179 HydrophobicContact CB-CD1 3.91Å; F176-L179 HydrophobicContact CB-CG 4.3Å; F176-L179 HydrophobicContact CD1-CD1 4.31Å; F176-L179 HydrophobicContact CG-CD1 4.43Å; F176-L179 WeakPolarHBondContact O-CB 3.49Å; F176-L179 WeakPolarHBondContact O-CG 3.25Å; F176-L179 PolarHBondContact O-N 2.78Å
177	E	95.9	Very high	96.9	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.5	179.5	-173.2	161.4	137.1	0	0	112.6	R174 L179 A180 Y181	R174-E177 HydrophobicContact CB-CB 4.42Å; R174-E177 WeakPolarHBondContact CG-OE2 3.1Å; R174-E177 IonicContact CZ-OE1 3.76Å; R174-E177 IonicContact CZ-OE2 3.91Å; R174-E177 IonicContact NE-OE1 3.27Å; R174-E177 IonicContact NE-OE2 2.58Å; R174-E177 PolarHBondContact NE-OE2 2.97Å; R174-E177 IonicContact NH2-OE1 3.95Å; R174-E177 PolarHBondContact NH2-OE1 2.92Å; R174-E177 IonicContact NH2-OE2 2.69Å; R174-E177 PolarHBondContact NH2-OE2 3.48Å; R174-E177 VanDerWaalsContact O-CB 3.26Å; R174-E177 WeakPolarHBondContact O-CB 3.49Å; R174-E177 PolarHBondContact O-N 3.21Å; R174-E177 VanDerWaalsContact O-N 3.11Å; E177-L179 PolarHBondContact O-N 3.46Å; E177-A180 PolarHBondContact O-N 3.1Å; E177-Y181 HydrophobicContact CG-CE2 4.01Å; E177-Y181 WeakPolarHBondContact O-CD2 3.26Å
178	Y	96.2	Very high	96.9	Very high	44 Å²	44	27.2 Å²	27.2	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-56	-23.3	175	70.9	-99.1	0	0	0	114.6	Y175 F176 A180 Y181 R182	Y175-Y178 VanDerWaalsContact O-CD1 3.31Å; Y175-Y178 WeakPolarHBondContact O-CD1 3.47Å; Y175-Y178 WeakPolarHBondContact O-CE1 3.44Å; F176-Y178 HydrophobicContact CB-CE1 4.46Å; F176-Y178 AromaticContact CD1-CE1 3.63Å; F176-Y178 HydrophobicContact CD1-CE1 3.63Å; F176-Y178 AromaticContact CD1-CZ 3.67Å; F176-Y178 VanDerWaalsContact CD1-OH 3.27Å; F176-Y178 WeakPolarHBondContact CD1-OH 3.27Å; F176-Y178 HydrophobicContact CE1-CE1 4.31Å; F176-Y178 WeakPolarHBondContact CE1-OH 3.43Å; F176-Y178 HydrophobicContact CG-CE1 4.39Å; F176-Y178 PolarHBondContact O-N 3.4Å; F176-Y178 VanDerWaalsContact O-N 3.13Å; Y178-A180 PolarHBondContact O-N 2.85Å; Y178-Y181 PolarHBondContact O-N 3.23Å; Y178-Y181 VanDerWaalsContact O-N 3.15Å; Y178-R182 WeakPolarHBondContact O-CB 3.48Å; Y178-R182 PolarHBondContact O-N 2.86Å
179	L	96.7	Very high	96.9	Very high	81 Å²	81	33.9 Å²	33.9	42%	0.424	16%	0.157	S	C	.	.	H	α-helix	trans	-60.1	-37	-179.3	-68.6	176.9	0	0	0	111.7	V132 F176 E177 Y181	V132-L179 HydrophobicContact CG2-CB 4.31Å; F176-L179 HydrophobicContact CB-CD1 3.91Å; F176-L179 HydrophobicContact CB-CG 4.3Å; F176-L179 HydrophobicContact CD1-CD1 4.31Å; F176-L179 HydrophobicContact CG-CD1 4.43Å; F176-L179 WeakPolarHBondContact O-CB 3.49Å; F176-L179 WeakPolarHBondContact O-CG 3.25Å; F176-L179 PolarHBondContact O-N 2.78Å; E177-L179 PolarHBondContact O-N 3.46Å; L179-Y181 VanDerWaalsContact C-N 3.31Å; L179-Y181 PolarHBondContact O-N 3.25Å
180	A	97.4	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.8	-30.4	179.3	0	0	0	0	0	112.4	P129 D130 V132 A150 E177 Y178	P129-A180 WeakPolarHBondContact CA-O 3.14Å; P129-A180 HydrophobicContact CB-CB 4.1Å; P129-A180 WeakPolarHBondContact CB-O 3.42Å; D130-A180 PolarHBondContact N-O 3.24Å; D130-A180 WeakPolarHBondContact O-CB 3.36Å; V132-A180 HydrophobicContact CB-CB 4.48Å; V132-A180 HydrophobicContact CG2-CB 3.86Å; A150-A180 HydrophobicContact CB-CB 3.55Å; E177-A180 PolarHBondContact O-N 3.1Å; Y178-A180 PolarHBondContact O-N 2.85Å
181	Y	98.2	Very high	97	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-97.3	-13.4	-177.3	-57.5	-76	0	0	0	113.6	I60 P129 A150 P153 F156 L157 E177 Y178 L179 P183 L184 A185	I60-Y181 HydrophobicContact CG2-CE1 4.21Å; P129-Y181 HydrophobicContact CB-CD1 3.71Å; P129-Y181 HydrophobicContact CB-CE1 3.58Å; P129-Y181 HydrophobicContact CB-CG 4.44Å; P129-Y181 HydrophobicContact CG-CD1 4.42Å; P129-Y181 HydrophobicContact CG-CE1 3.81Å; A150-Y181 PolarHBondContact O-OH 3.01Å; P153-Y181 VanDerWaalsContact CA-OH 3.29Å; P153-Y181 WeakPolarHBondContact CA-OH 3.45Å; P153-Y181 HydrophobicContact CB-CE1 3.64Å; F156-Y181 HydrophobicContact CB-CE2 4.49Å; F156-Y181 AromaticContact CD1-CD2 3.42Å; F156-Y181 HydrophobicContact CD1-CD2 3.42Å; F156-Y181 VanDerWaalsContact CD1-CD2 3.42Å; F156-Y181 AromaticContact CD1-CE2 3.95Å; F156-Y181 HydrophobicContact CD1-CE2 3.95Å; F156-Y181 HydrophobicContact CD1-CG 4.03Å; F156-Y181 AromaticContact CE1-CD2 3.92Å; F156-Y181 HydrophobicContact CE1-CD2 3.92Å; F156-Y181 HydrophobicContact CE1-CG 4.34Å; F156-Y181 HydrophobicContact CG-CD2 4.39Å; L157-Y181 HydrophobicContact CD1-CD1 3.92Å; L157-Y181 HydrophobicContact CD1-CG 4.17Å; E177-Y181 HydrophobicContact CG-CE2 4.01Å; E177-Y181 WeakPolarHBondContact O-CD2 3.26Å; Y178-Y181 PolarHBondContact O-N 3.23Å; Y178-Y181 VanDerWaalsContact O-N 3.15Å; L179-Y181 VanDerWaalsContact C-N 3.31Å; L179-Y181 PolarHBondContact O-N 3.25Å; Y181-P183 VanDerWaalsContact C-CD 3.49Å; Y181-L184 WeakPolarHBondContact O-CB 3.48Å; Y181-L184 PolarHBondContact O-N 2.8Å; Y181-A185 PolarHBondContact O-N 3.06Å
182	R	97.3	Very high	97	Very high	77 Å²	77	45.1 Å²	45.1	29%	0.291	22%	0.216	S	C	.	.	H	α-helix	trans	-56	-41.9	-175.4	-172.8	60	58.7	116.2	-10.7	113.6	E166 Y178 L184 A185 L186 W195	E166-R182 IonicContact OE1-CZ 3.11Å; E166-R182 IonicContact OE1-NE 2.65Å; E166-R182 IonicContact OE1-NH2 3.12Å; E166-R182 IonicContact OE2-NH2 3.72Å; E166-R182 PolarHBondContact OE2-NH2 3.05Å; E166-R182 VanDerWaalsContact OE2-NH2 3.13Å; Y178-R182 WeakPolarHBondContact O-CB 3.48Å; Y178-R182 PolarHBondContact O-N 2.86Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.89Å; R182-A185 PolarHBondContact O-N 2.93Å; R182-L186 VanDerWaalsContact O-CB 3.24Å; R182-L186 WeakPolarHBondContact O-CB 3.45Å; R182-L186 PolarHBondContact O-N 2.91Å; R182-W195 VanDerWaalsContact CD-CH2 3.43Å
183	P	97.8	Very high	97.1	Very high	55 Å²	55	43.7 Å²	43.7	36%	0.357	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-40.8	175.5	-24.5	35.7	0	0	0	112.8	D130 Y181 N187	D130-P183 HydrophobicContact CB-CG 4.39Å; D130-P183 VanDerWaalsContact OD2-CG 3.32Å; D130-P183 WeakPolarHBondContact OD2-CG 3.45Å; Y181-P183 VanDerWaalsContact C-CD 3.49Å; P183-N187 WeakPolarHBondContact O-CB 3.4Å; P183-N187 PolarHBondContact O-N 3.38Å
184	L	98.3	Very high	97.2	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-51.7	177.6	-61.3	176.1	0	0	0	111.2	I60 V127 Y181 R182 L186 N187 Y188	I60-L184 HydrophobicContact CD1-CD1 3.79Å; I60-L184 HydrophobicContact CG1-CD1 3.98Å; I60-L184 HydrophobicContact CG2-CD1 4.21Å; V127-L184 HydrophobicContact CB-CD2 4.16Å; V127-L184 HydrophobicContact CG2-CD1 4.49Å; V127-L184 HydrophobicContact CG2-CD2 4.32Å; Y181-L184 WeakPolarHBondContact O-CB 3.48Å; Y181-L184 PolarHBondContact O-N 2.8Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.89Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 2.87Å; L184-N187 WeakPolarHBondContact O-CB 3.32Å; L184-N187 PolarHBondContact O-N 2.94Å; L184-N187 VanDerWaalsContact O-N 3.09Å; L184-Y188 HydrophobicContact CB-CE2 4.17Å; L184-Y188 WeakPolarHBondContact O-CD2 3.46Å; L184-Y188 PolarHBondContact O-N 2.78Å
185	A	97.7	Very high	97.2	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-43.5	178.7	0	0	0	0	0	111.7	Y181 R182 N187 Y188 W189 W195	Y181-A185 PolarHBondContact O-N 3.06Å; R182-A185 PolarHBondContact O-N 2.93Å; A185-N187 PolarHBondContact O-N 3.26Å; A185-Y188 PolarHBondContact O-N 2.81Å; A185-W189 WeakPolarHBondContact O-CB 3.34Å; A185-W189 PolarHBondContact O-N 2.75Å; A185-W195 HydrophobicContact CB-CD2 4.4Å; A185-W195 HydrophobicContact CB-CZ2 4.27Å
186	L	97.7	Very high	97.4	Very high	65 Å²	65	51 Å²	51	34%	0.34	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-41.2	176	-176.9	65.4	0	0	0	112	R182 L184 W189 K190	R182-L186 VanDerWaalsContact O-CB 3.24Å; R182-L186 WeakPolarHBondContact O-CB 3.45Å; R182-L186 PolarHBondContact O-N 2.91Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 2.87Å; L186-W189 HydrophobicContact CD1-CE3 3.89Å; L186-W189 HydrophobicContact CD1-CZ3 4.21Å; L186-K190 VanDerWaalsContact O-CG 3.32Å; L186-K190 WeakPolarHBondContact O-CG 3.5Å; L186-K190 PolarHBondContact O-N 2.61Å
187	N	97.9	Very high	97.5	Very high	80 Å²	80	52 Å²	52	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-64.4	-42.7	177.6	-174.8	43.9	0	0	0	111.9	P183 L184 A185 Q191	P183-N187 WeakPolarHBondContact O-CB 3.4Å; P183-N187 PolarHBondContact O-N 3.38Å; L184-N187 WeakPolarHBondContact O-CB 3.32Å; L184-N187 PolarHBondContact O-N 2.94Å; L184-N187 VanDerWaalsContact O-N 3.09Å; A185-N187 PolarHBondContact O-N 3.26Å; N187-Q191 PolarHBondContact ND2-NE2 3.12Å; N187-Q191 WeakPolarHBondContact O-CG 3.49Å; N187-Q191 PolarHBondContact O-N 2.8Å; N187-Q191 PolarHBondContact O-NE2 3.45Å; N187-Q191 PolarHBondContact OD1-NE2 3.27Å
188	Y	98.3	Very high	97.7	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-41.9	176.6	-67.9	-49.2	0	0	0	112.5	P46 V47 E58 V127 I164 L184 A185 K190 Q191 G192 A193 I396	P46-Y188 HydrophobicContact CB-CD1 4.15Å; P46-Y188 HydrophobicContact CG-CD1 3.69Å; V47-Y188 HydrophobicContact CG2-CD1 4.13Å; V47-Y188 HydrophobicContact CG2-CD2 4.33Å; V47-Y188 HydrophobicContact CG2-CG 3.84Å; E58-Y188 VanDerWaalsContact OE1-CE1 3.24Å; E58-Y188 WeakPolarHBondContact OE1-CE1 3.2Å; E58-Y188 PolarHBondContact OE1-OH 3.37Å; V127-Y188 VanDerWaalsContact CG2-OH 3.3Å; V127-Y188 WeakPolarHBondContact CG2-OH 3.47Å; I164-Y188 HydrophobicContact CD1-CD2 3.64Å; I164-Y188 HydrophobicContact CD1-CG 4.05Å; L184-Y188 HydrophobicContact CB-CE2 4.17Å; L184-Y188 WeakPolarHBondContact O-CD2 3.46Å; L184-Y188 PolarHBondContact O-N 2.78Å; A185-Y188 PolarHBondContact O-N 2.81Å; Y188-K190 PolarHBondContact O-N 3.41Å; Y188-Q191 CarbonylContact O-C 3.55Å; Y188-Q191 WeakPolarHBondContact O-CA 3.41Å; Y188-Q191 PolarHBondContact O-N 2.85Å; Y188-G192 PolarHBondContact O-N 3.08Å; Y188-A193 VanDerWaalsContact O-CB 3.31Å; Y188-A193 WeakPolarHBondContact O-CB 3.33Å; Y188-A193 PolarHBondContact O-N 3.37Å; Y188-I396 HydrophobicContact CD1-CG2 4.49Å; Y188-I396 HydrophobicContact CE1-CG2 3.94Å; Y188-I396 HydrophobicContact CE2-CD1 4.16Å; Y188-I396 HydrophobicContact CE2-CG1 4.12Å; Y188-I396 HydrophobicContact CE2-CG2 4.14Å
189	W	97.5	Very high	97.7	Very high	139 Å²	139	52.7 Å²	52.7	53%	0.527	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-44.2	176.1	172.5	76.4	0	0	0	112.1	A185 L186 Q191 G192 W195	A185-W189 WeakPolarHBondContact O-CB 3.34Å; A185-W189 PolarHBondContact O-N 2.75Å; L186-W189 HydrophobicContact CD1-CE3 3.89Å; L186-W189 HydrophobicContact CD1-CZ3 4.21Å; W189-Q191 PolarHBondContact O-N 3.36Å; W189-Q191 VanDerWaalsContact O-N 3.11Å; W189-G192 PolarHBondContact O-N 3.15Å; W189-W195 HydrophobicContact CB-CB 4.34Å; W189-W195 HydrophobicContact CB-CE3 4.23Å; W189-W195 HydrophobicContact CG-CE3 4.26Å
190	K	97	Very high	97.6	Very high	134 Å²	134	50.8 Å²	50.8	58%	0.583	25%	0.25	S	C	*	.	H	α-helix	trans	-58	-25.4	174.2	-76.2	174	179.8	176.5	0	113.4	L186 Y188	L186-K190 VanDerWaalsContact O-CG 3.32Å; L186-K190 WeakPolarHBondContact O-CG 3.5Å; L186-K190 PolarHBondContact O-N 2.61Å; Y188-K190 PolarHBondContact O-N 3.41Å
191	Q	96.6	Very high	97.4	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.5	178.7	-68.4	173.7	71.9	0	0	113.1	L43 P46 N187 Y188 W189	L43-Q191 WeakPolarHBondContact CB-O 3.46Å; P46-Q191 WeakPolarHBondContact CD-O 3.49Å; P46-Q191 HydrophobicContact CG-CB 3.62Å; N187-Q191 PolarHBondContact ND2-NE2 3.12Å; N187-Q191 WeakPolarHBondContact O-CG 3.49Å; N187-Q191 PolarHBondContact O-N 2.8Å; N187-Q191 PolarHBondContact O-NE2 3.45Å; N187-Q191 PolarHBondContact OD1-NE2 3.27Å; Y188-Q191 CarbonylContact O-C 3.55Å; Y188-Q191 WeakPolarHBondContact O-CA 3.41Å; Y188-Q191 PolarHBondContact O-N 2.85Å; W189-Q191 PolarHBondContact O-N 3.36Å; W189-Q191 VanDerWaalsContact O-N 3.11Å
192	G	96.7	Very high	97.1	Very high	31 Å²	31	54.5 Å²	54.5	32%	0.32	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	6.9	171.9	0	0	0	0	0	115.8	Y188 W189	Y188-G192 PolarHBondContact O-N 3.08Å; W189-G192 PolarHBondContact O-N 3.15Å
193	A	98.1	Very high	96.9	Very high	4 Å²	4	53 Å²	53	3%	0.033	27%	0.27	C	S	.	.			trans	-69.3	144.9	170.8	0	0	0	0	0	111.4	S45 V47 Y188	S45-A193 WeakPolarHBondContact OG-CA 3.44Å; V47-A193 HydrophobicContact CB-CB 3.91Å; V47-A193 HydrophobicContact CG2-CB 3.43Å; V47-A193 VanDerWaalsContact CG2-CB 3.43Å; Y188-A193 VanDerWaalsContact O-CB 3.31Å; Y188-A193 WeakPolarHBondContact O-CB 3.33Å; Y188-A193 PolarHBondContact O-N 3.37Å
194	K	98	Very high	96.7	Very high	100 Å²	100	50.5 Å²	50.5	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.4	165.3	-65.2	177.1	-176.8	171.8	0	108.8	D162 E163 I164	D162-K194 PolarHBondContact O-N 3.18Å; D162-K194 WeakPolarHBondContact OD2-CE 3.45Å; D162-K194 IonicContact OD2-NZ 3.48Å; E163-K194 WeakPolarHBondContact CA-O 3.3Å; E163-K194 HydrophobicContact CB-CB 3.91Å; E163-K194 HydrophobicContact CG-CB 3.87Å; I164-K194 PolarHBondContact N-O 3.01Å
195	W	98.3	Very high	96.4	Very high	65 Å²	65	52.9 Å²	52.9	25%	0.246	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.7	-179.5	178	30.3	0	0	0	109.4	I164 E166 R182 A185 W189 I197	I164-W195 WeakPolarHBondContact O-CA 3.31Å; E166-W195 VanDerWaalsContact OE1-CE2 3.27Å; E166-W195 WeakPolarHBondContact OE1-CZ2 3.39Å; E166-W195 PolarHBondContact OE1-NE1 3.04Å; R182-W195 VanDerWaalsContact CD-CH2 3.43Å; A185-W195 HydrophobicContact CB-CD2 4.4Å; A185-W195 HydrophobicContact CB-CZ2 4.27Å; W189-W195 HydrophobicContact CB-CB 4.34Å; W189-W195 HydrophobicContact CB-CE3 4.23Å; W189-W195 HydrophobicContact CG-CE3 4.26Å; W195-I197 HydrophobicContact CZ2-CD1 4.06Å; W195-I197 HydrophobicContact CZ2-CG1 4.5Å
196	T	98.6	Very high	96.3	Very high	29 Å²	29	59.2 Å²	59.2	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.6	-176.9	-70.1	0	0	0	0	109.2	E163 I164 I165 E166 W263	E163-T196 WeakPolarHBondContact OE1-CB 3.49Å; E163-T196 PolarHBondContact OE1-OG1 3Å; I164-T196 PolarHBondContact O-N 3.33Å; I165-T196 WeakPolarHBondContact CA-O 3.37Å; I165-T196 HydrophobicContact CG2-CG2 4.46Å; E166-T196 PolarHBondContact N-O 3.22Å; T196-W263 HydrophobicContact CG2-CH2 3.86Å; T196-W263 HydrophobicContact CG2-CZ2 4.33Å
197	I	98.3	Very high	96.2	Very high	77 Å²	77	56.1 Å²	56.1	40%	0.395	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.9	174.1	-54.4	176.7	0	0	0	107.4	E166 W195	E166-I197 HydrophobicContact CB-CB 4.46Å; E166-I197 HydrophobicContact CB-CG1 4.32Å; E166-I197 HydrophobicContact CB-CG2 4.27Å; E166-I197 HydrophobicContact CG-CG1 4.32Å; W195-I197 HydrophobicContact CZ2-CD1 4.06Å; W195-I197 HydrophobicContact CZ2-CG1 4.5Å
198	A	98.4	Very high	96.1	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	26%	0.263	C	S	.	.			trans	-67.6	153.7	174.9	0	0	0	0	0	111.1	E166 T168 K200 F236 W263	E166-A198 VanDerWaalsContact O-CB 3.28Å; E166-A198 WeakPolarHBondContact O-CB 3.49Å; E166-A198 PolarHBondContact O-N 3.41Å; T168-A198 HydrophobicContact CG2-CB 3.59Å; A198-K200 PolarHBondContact O-N 3.44Å; A198-F236 HydrophobicContact CB-CE1 3.64Å; A198-F236 HydrophobicContact CB-CZ 3.63Å; A198-W263 HydrophobicContact CB-CD2 4.43Å; A198-W263 HydrophobicContact CB-CE3 4.03Å; A198-W263 HydrophobicContact CB-CH2 3.6Å; A198-W263 HydrophobicContact CB-CZ2 4.01Å; A198-W263 HydrophobicContact CB-CZ3 3.61Å
199	P	96.8	Very high	95.9	Very high	61 Å²	61	58.4 Å²	58.4	40%	0.396	29%	0.286	S	S	.	.			trans	-55.1	114.3	-178	-25	33.3	0	0	0	111.6	T168 W263	T168-P199 WeakPolarHBondContact CB-O 3.41Å; T168-P199 WeakPolarHBondContact CG2-O 3.48Å; P199-W263 VanDerWaalsContact CD-NE1 3.27Å
200	K	95.1	Very high	95.7	Very high	41 Å²	41	57.8 Å²	57.8	18%	0.178	29%	0.293	C	S	.	.			trans	-68	134.6	177.9	-75.7	-72.3	175.4	-176.1	0	109.8	A167 T168 Y175 A198	A167-K200 PolarHBondContact O-NZ 2.95Å; T168-K200 WeakPolarHBondContact O-CD 3.46Å; T168-K200 PolarHBondContact O-NZ 3Å; Y175-K200 HydrophobicContact CE2-CB 4.28Å; Y175-K200 HydrophobicContact CE2-CD 4.47Å; Y175-K200 PolarHBondContact O-NZ 2.87Å; A198-K200 PolarHBondContact O-N 3.44Å
201	P	93.1	Very high	95.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.			trans	-62.7	149.9	178.9	-22.3	36.1	0	0	0	111.3	M169 Y175 F204 L207 E233 C235	M169-P201 WeakPolarHBondContact O-CG 3.46Å; Y175-P201 VanDerWaalsContact CE2-O 3.3Å; Y175-P201 WeakPolarHBondContact CE2-O 3.44Å; Y175-P201 PolarHBondContact OH-O 3.26Å; P201-F204 HydrophobicContact CB-CD2 4.37Å; P201-F204 HydrophobicContact CB-CE2 3.79Å; P201-F204 HydrophobicContact CB-CZ 3.99Å; P201-F204 HydrophobicContact CG-CZ 4.4Å; P201-L207 HydrophobicContact CB-CD2 3.67Å; P201-L207 HydrophobicContact CG-CD2 3.98Å; P201-E233 WeakPolarHBondContact CA-OE1 3.49Å; P201-E233 WeakPolarHBondContact CA-OE2 3.44Å; P201-E233 HydrophobicContact CB-CG 4.34Å; P201-E233 WeakPolarHBondContact CB-OE1 3.31Å; P201-C235 HydrophobicContact CG-CB 4.48Å
202	T	92.2	Very high	95.2	Very high	79 Å²	79	54.1 Å²	54.1	49%	0.485	28%	0.28	S	S	.	.			trans	-125.9	-20.7	-173.5	57.6	0	0	0	0	113.3	L141 E233	L141-T202 WeakPolarHBondContact CD1-O 3.29Å; T202-E233 VanDerWaalsContact N-CD 3.26Å; T202-E233 PolarHBondContact N-OE1 2.92Å; T202-E233 PolarHBondContact N-OE2 3.13Å; T202-E233 PolarHBondContact OG1-OE2 2.83Å; T202-E233 VanDerWaalsContact OG1-OE2 3.06Å
203	N	93	Very high	94.7	Very high	46 Å²	46	54.2 Å²	54.2	25%	0.246	27%	0.273	C	S	.	.			trans	-132.7	81.2	-175.7	-167.6	-39.7	0	0	0	110.6	S205 K206 L207 E233	N203-S205 PolarHBondContact O-N 3.13Å; N203-S205 PolarHBondContact OD1-OG 2.88Å; N203-K206 HydrophobicContact CB-CB 4.4Å; N203-K206 PolarHBondContact O-N 3.36Å; N203-K206 VanDerWaalsContact O-N 3.13Å; N203-K206 WeakPolarHBondContact OD1-CB 3.38Å; N203-K206 WeakPolarHBondContact OD1-CG 3.37Å; N203-K206 PolarHBondContact OD1-N 3.02Å; N203-L207 WeakPolarHBondContact O-CB 3.29Å; N203-L207 PolarHBondContact O-N 2.93Å; N203-E233 PolarHBondContact N-OE1 3.32Å
204	F	93.5	Very high	94.1	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-70.5	-20.4	-174.9	-78	-109.5	0	0	0	113.7	I143 T170 R172 Y175 P201 I208	I143-F204 HydrophobicContact CD1-CB 3.61Å; I143-F204 HydrophobicContact CD1-CD1 4.25Å; I143-F204 HydrophobicContact CD1-CD2 3Å; I143-F204 HydrophobicContact CD1-CE2 3.58Å; I143-F204 HydrophobicContact CD1-CG 3.35Å; I143-F204 HydrophobicContact CD1-CZ 4.42Å; I143-F204 HydrophobicContact CG1-CB 3.91Å; I143-F204 HydrophobicContact CG1-CD2 4.19Å; I143-F204 HydrophobicContact CG1-CG 4.11Å; T170-F204 WeakPolarHBondContact O-CE1 3.25Å; R172-F204 HydrophobicContact CB-CD1 4.41Å; R172-F204 HydrophobicContact CB-CE1 4.33Å; R172-F204 HydrophobicContact CG-CB 4.33Å; R172-F204 HydrophobicContact CG-CD1 3.21Å; R172-F204 HydrophobicContact CG-CE1 3.55Å; R172-F204 HydrophobicContact CG-CG 3.92Å; R172-F204 HydrophobicContact CG-CZ 4.47Å; R172-F204 PolarHBondContact NH2-O 3.31Å; Y175-F204 AromaticContact CD2-CE2 3.91Å; Y175-F204 HydrophobicContact CD2-CE2 3.91Å; Y175-F204 AromaticContact CD2-CZ 3.77Å; Y175-F204 HydrophobicContact CD2-CZ 3.77Å; Y175-F204 AromaticContact CE2-CE2 3.97Å; Y175-F204 HydrophobicContact CE2-CE2 3.97Å; Y175-F204 HydrophobicContact CE2-CZ 4.23Å; P201-F204 HydrophobicContact CB-CD2 4.37Å; P201-F204 HydrophobicContact CB-CE2 3.79Å; P201-F204 HydrophobicContact CB-CZ 3.99Å; P201-F204 HydrophobicContact CG-CZ 4.4Å; F204-I208 HydrophobicContact CD1-CD1 3.62Å; F204-I208 HydrophobicContact CD1-CG1 4.45Å; F204-I208 HydrophobicContact CE1-CD1 4.27Å; F204-I208 WeakPolarHBondContact O-CB 3.39Å; F204-I208 PolarHBondContact O-N 3.03Å
205	S	92.3	Very high	93	Very high	73 Å²	73	59.2 Å²	59.2	51%	0.51	31%	0.307	S	S	.	.	H	α-helix	trans	-72.9	-27.5	173	46.8	0	0	0	0	112.5	D142 N203	D142-S205 WeakPolarHBondContact OD2-CB 3.49Å; D142-S205 PolarHBondContact OD2-OG 3.21Å; N203-S205 PolarHBondContact O-N 3.13Å; N203-S205 PolarHBondContact OD1-OG 2.88Å
206	K	94.9	Very high	92.1	Very high	136 Å²	136	58.8 Å²	58.8	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-86.4	-36.4	168.8	-70.7	-176.7	-177.7	-179.6	0	112.8	N203 T230 S232	N203-K206 HydrophobicContact CB-CB 4.4Å; N203-K206 PolarHBondContact O-N 3.36Å; N203-K206 VanDerWaalsContact O-N 3.13Å; N203-K206 WeakPolarHBondContact OD1-CB 3.38Å; N203-K206 WeakPolarHBondContact OD1-CG 3.37Å; N203-K206 PolarHBondContact OD1-N 3.02Å; K206-T230 VanDerWaalsContact O-CG2 3.26Å; K206-T230 WeakPolarHBondContact O-CG2 3.49Å; K206-T230 PolarHBondContact O-OG1 3.35Å; K206-S232 VanDerWaalsContact C-OG 3.31Å; K206-S232 PolarHBondContact O-OG 3.32Å
207	L	95.9	Very high	90.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-70.7	-38.9	-177	-178.2	60.9	0	0	0	112.3	P201 N203 T229 T230 S232 E233 C235	P201-L207 HydrophobicContact CB-CD2 3.67Å; P201-L207 HydrophobicContact CG-CD2 3.98Å; N203-L207 WeakPolarHBondContact O-CB 3.29Å; N203-L207 PolarHBondContact O-N 2.93Å; L207-T229 CarbonylContact O-C 3.49Å; L207-T229 VanDerWaalsContact O-CA 3.24Å; L207-T229 WeakPolarHBondContact O-CA 3.46Å; L207-T230 PolarHBondContact O-N 2.83Å; L207-T230 PolarHBondContact O-OG1 3.48Å; L207-S232 VanDerWaalsContact CA-OG 3.26Å; L207-S232 WeakPolarHBondContact CA-OG 3.49Å; L207-S232 PolarHBondContact N-OG 2.88Å; L207-E233 HydrophobicContact CB-CG 4.46Å; L207-E233 HydrophobicContact CD1-CG 4.07Å; L207-E233 HydrophobicContact CD2-CG 4.22Å; L207-E233 HydrophobicContact CG-CG 4.49Å; L207-C235 HydrophobicContact CD1-CB 4.12Å; L207-C235 HydrophobicContact CD2-CB 3.86Å
208	I	95.7	Very high	89.8	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-119.1	121.4	-172.6	-54.3	176.3	0	0	0	109.3	P74 E75 T170 F204 V228	P74-I208 HydrophobicContact CB-CG2 4.05Å; E75-I208 HydrophobicContact CB-CD1 3.96Å; E75-I208 HydrophobicContact CB-CG2 4.12Å; E75-I208 HydrophobicContact CG-CD1 3.95Å; T170-I208 HydrophobicContact CG2-CD1 4.35Å; T170-I208 WeakPolarHBondContact O-CD1 3.18Å; F204-I208 HydrophobicContact CD1-CD1 3.62Å; F204-I208 HydrophobicContact CD1-CG1 4.45Å; F204-I208 HydrophobicContact CE1-CD1 4.27Å; F204-I208 WeakPolarHBondContact O-CB 3.39Å; F204-I208 PolarHBondContact O-N 3.03Å; I208-V228 HydrophobicContact CG2-CB 4.34Å; I208-V228 HydrophobicContact CG2-CG2 4.45Å
209	R	95.1	Very high	88.7	Confident	129 Å²	129	67.6 Å²	67.6	49%	0.487	38%	0.377	S	S	.	.			trans	-79.8	149.2	173.1	-59.6	177	64.8	87.4	2.9	110.7	P74 E211 I213 V228 T230	P74-R209 VanDerWaalsContact CB-O 3.29Å; P74-R209 WeakPolarHBondContact CB-O 3.24Å; R209-E211 WeakPolarHBondContact CB-O 3.23Å; R209-E211 PolarHBondContact NE-O 3.25Å; R209-E211 PolarHBondContact O-N 2.74Å; R209-I213 VanDerWaalsContact CD-CG1 3.43Å; R209-V228 PolarHBondContact N-O 3.36Å; R209-T230 HydrophobicContact CG-CG2 3.69Å
210	D	93.2	Very high	87.6	Confident	126 Å²	126	68.8 Å²	68.8	67%	0.674	38%	0.377	S	S	*	.	S	Bend	trans	-64.5	-32.8	173.5	-65.7	-31.8	0	0	0	112.5
211	E	92.1	Very high	87	Confident	108 Å²	108	74.3 Å²	74.3	51%	0.505	40%	0.403	S	S	.	.	S	Bend	trans	-129.8	147.4	176.4	-68.6	-62.4	153.7	0	0	111	K77 R209	K77-E211 IonicContact NZ-OE1 3Å; K77-E211 PolarHBondContact NZ-OE1 3.49Å; K77-E211 IonicContact NZ-OE2 3.37Å; R209-E211 WeakPolarHBondContact CB-O 3.23Å; R209-E211 PolarHBondContact NE-O 3.25Å; R209-E211 PolarHBondContact O-N 2.74Å
212	P	90.3	Very high	86.6	Confident	26 Å²	26	76.2 Å²	76.2	17%	0.169	41%	0.413	C	S	.	.			trans	-58.1	153.4	-178.6	-22.1	31.8	0	0	0	113.8	T78 N214 K227 V228	T78-P212 HydrophobicContact CG2-CG 3.86Å; P212-N214 PolarHBondContact O-N 3.43Å; P212-N214 VanDerWaalsContact O-N 3.09Å; P212-K227 CarbonylContact C-O 3.27Å; P212-K227 WeakPolarHBondContact CA-O 3.26Å; P212-V228 HydrophobicContact CB-CG1 4.41Å; P212-V228 HydrophobicContact CG-CG1 4.06Å
213	I	85.2	Confident	86.3	Confident	32 Å²	32	73.9 Å²	73.9	16%	0.164	40%	0.399	C	S	.	.			trans	-69.8	103.7	174	-59	165.6	0	0	0	108.5	R209 D224 Y225 G226 K227	R209-I213 VanDerWaalsContact CD-CG1 3.43Å; I213-D224 WeakPolarHBondContact CB-O 3.45Å; I213-D224 HydrophobicContact CD1-CB 3.97Å; I213-D224 HydrophobicContact CG2-CB 4.49Å; I213-Y225 CarbonylContact O-C 3.42Å; I213-Y225 WeakPolarHBondContact O-CA 3.24Å; I213-G226 PolarHBondContact O-N 3.37Å; I213-K227 WeakPolarHBondContact CG1-O 3.26Å; I213-K227 PolarHBondContact N-O 3.42Å
214	N	85.8	Confident	86.1	Confident	95 Å²	95	73.4 Å²	73.4	51%	0.508	40%	0.397	S	S	.	.			trans	-113.6	37.3	-179.6	-66	-34.4	0	0	0	112.1	P212 Y225	P212-N214 PolarHBondContact O-N 3.43Å; P212-N214 VanDerWaalsContact O-N 3.09Å; N214-Y225 HydrophobicContact CB-CE2 4.39Å
215	V	76.4	Confident	85.8	Confident	114 Å²	114	76.9 Å²	76.9	69%	0.691	41%	0.41	S	S	*	.			trans	-96.1	128.8	178.5	-178.9	0	0	0	0	109	N222	V215-N222 PolarHBondContact O-ND2 3.5Å
216	G	78.3	Confident	85.7	Confident	56 Å²	56	74.3 Å²	74.3	58%	0.577	40%	0.395	S	S	*	.	S	Bend	trans	88.5	-163.9	179.7	0	0	0	0	0	113.7	Y225	G216-Y225 VanDerWaalsContact O-CE2 3.28Å; G216-Y225 WeakPolarHBondContact O-CE2 3.45Å
217	L	71.3	Confident	85.6	Confident	131 Å²	131	68.8 Å²	68.8	69%	0.686	37%	0.371	S	S	*	.			trans	-87.6	149.8	175.7	-64.6	174.7	0	0	0	110.6	D219 N222	L217-D219 PolarHBondContact O-N 3.47Å; L217-N222 WeakPolarHBondContact O-CB 3.42Å; L217-N222 PolarHBondContact O-ND2 3.23Å
218	S	77.2	Confident	85.6	Confident	91 Å²	91	68.8 Å²	68.8	64%	0.636	37%	0.371	S	S	*	.	S	Bend	trans	-80.9	86.5	170.9	64.8	0	0	0	0	109.4	Y225	S218-Y225 VanDerWaalsContact CB-CE1 3.45Å
219	D	76.1	Confident	85.7	Confident	71 Å²	71	68.7 Å²	68.7	38%	0.38	37%	0.371	S	S	.	.	S	Bend	trans	-142.7	175.1	177.2	64.8	41.1	0	0	0	112.1	L217 H221 N222	L217-D219 PolarHBondContact O-N 3.47Å; D219-H221 PolarHBondContact O-N 3.46Å; D219-H221 WeakPolarHBondContact OD1-CA 3.45Å; D219-H221 WeakPolarHBondContact OD1-CB 3.47Å; D219-H221 PolarHBondContact OD1-N 3Å; D219-N222 CarbonylContact O-C 3.51Å; D219-N222 PolarHBondContact O-N 3.31Å; D219-N222 VanDerWaalsContact O-N 3.08Å; D219-N222 PolarHBondContact OD1-N 3.24Å
220	E	73.5	Confident	85.7	Confident	86 Å²	86	63.9 Å²	63.9	40%	0.402	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.7	-177.4	64.7	176	173.4	0	0	114.3	N222 H309	E220-N222 VanDerWaalsContact C-N 3.32Å; E220-H309 WeakPolarHBondContact OE2-CB 3.34Å; E220-H309 IonicContact OE2-CG 3.3Å; E220-H309 IonicContact OE2-ND1 3.64Å
221	H	81.5	Confident	85.9	Confident	157 Å²	157	60.9 Å²	60.9	73%	0.727	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.4	177.2	-58.2	-53.4	0	0	0	112.3	D219 P223	D219-H221 PolarHBondContact O-N 3.46Å; D219-H221 WeakPolarHBondContact OD1-CA 3.45Å; D219-H221 WeakPolarHBondContact OD1-CB 3.47Å; D219-H221 PolarHBondContact OD1-N 3Å; H221-P223 VanDerWaalsContact C-CD 3.47Å; H221-P223 WeakPolarHBondContact O-CD 3.16Å
222	N	85.5	Confident	86.1	Confident	40 Å²	40	58.6 Å²	58.6	21%	0.214	33%	0.334	C	S	.	.			trans	-119.4	70.6	176.1	-169.2	5.7	0	0	0	111.4	V215 L217 D219 E220 D224 Y225	V215-N222 PolarHBondContact O-ND2 3.5Å; L217-N222 WeakPolarHBondContact O-CB 3.42Å; L217-N222 PolarHBondContact O-ND2 3.23Å; D219-N222 CarbonylContact O-C 3.51Å; D219-N222 PolarHBondContact O-N 3.31Å; D219-N222 VanDerWaalsContact O-N 3.08Å; D219-N222 PolarHBondContact OD1-N 3.24Å; E220-N222 VanDerWaalsContact C-N 3.32Å; N222-D224 PolarHBondContact O-N 2.97Å; N222-D224 VanDerWaalsContact O-N 3.09Å; N222-Y225 WeakPolarHBondContact O-CB 3.21Å; N222-Y225 PolarHBondContact O-N 3.38Å
223	P	85.2	Confident	86.3	Confident	30 Å²	30	58.8 Å²	58.8	20%	0.195	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-171.6	28.6	-37.3	0	0	0	113.8	H221 R252 L258	H221-P223 VanDerWaalsContact C-CD 3.47Å; H221-P223 WeakPolarHBondContact O-CD 3.16Å; P223-R252 HydrophobicContact CB-CB 4.42Å; P223-R252 HydrophobicContact CB-CG 4.17Å; P223-R252 WeakPolarHBondContact O-CG 3.48Å; P223-L258 HydrophobicContact CG-CD1 4.2Å
224	D	89.1	Confident	86.9	Confident	36 Å²	36	59.1 Å²	59.1	19%	0.193	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.6	177.6	-70.5	-34.6	0	0	0	113.2	I213 N222 G226 K227 R252	I213-D224 WeakPolarHBondContact CB-O 3.45Å; I213-D224 HydrophobicContact CD1-CB 3.97Å; I213-D224 HydrophobicContact CG2-CB 4.49Å; N222-D224 PolarHBondContact O-N 2.97Å; N222-D224 VanDerWaalsContact O-N 3.09Å; D224-G226 PolarHBondContact O-N 3.1Å; D224-K227 VanDerWaalsContact O-CB 3.29Å; D224-K227 WeakPolarHBondContact O-CB 3.48Å; D224-K227 WeakPolarHBondContact O-CG 3.43Å; D224-K227 PolarHBondContact O-N 2.79Å; D224-R252 IonicContact OD1-CZ 3.4Å; D224-R252 VanDerWaalsContact OD1-CZ 3.27Å; D224-R252 IonicContact OD1-NE 2.72Å; D224-R252 PolarHBondContact OD1-NE 2.59Å; D224-R252 IonicContact OD1-NH2 2.75Å; D224-R252 PolarHBondContact OD1-NH2 2.61Å
225	Y	87.6	Confident	87.5	Confident	75 Å²	75	54.6 Å²	54.6	29%	0.294	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.4	179	-168.6	-82.4	0	0	0	111.3	I213 N214 G216 S218 N222 K227	I213-Y225 CarbonylContact O-C 3.42Å; I213-Y225 WeakPolarHBondContact O-CA 3.24Å; N214-Y225 HydrophobicContact CB-CE2 4.39Å; G216-Y225 VanDerWaalsContact O-CE2 3.28Å; G216-Y225 WeakPolarHBondContact O-CE2 3.45Å; S218-Y225 VanDerWaalsContact CB-CE1 3.45Å; N222-Y225 WeakPolarHBondContact O-CB 3.21Å; N222-Y225 PolarHBondContact O-N 3.38Å; Y225-K227 PolarHBondContact O-N 2.53Å; Y225-K227 PolarHBondContact O-NZ 2.73Å
226	G	89.7	Confident	88.6	Confident	19 Å²	19	49.2 Å²	49.2	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	8.4	-177.7	0	0	0	0	0	114.6	I213 D224 Q254	I213-G226 PolarHBondContact O-N 3.37Å; D224-G226 PolarHBondContact O-N 3.1Å; G226-Q254 PolarHBondContact O-NE2 2.54Å
227	K	94.1	Very high	89.6	Confident	19 Å²	19	46.6 Å²	46.6	8%	0.083	25%	0.252	C	S	.	.			trans	-95.9	146.8	179.4	-51.1	-60.7	176.3	-90.2	0	112.2	P212 I213 D224 Y225 Q254 P285	P212-K227 CarbonylContact C-O 3.27Å; P212-K227 WeakPolarHBondContact CA-O 3.26Å; I213-K227 WeakPolarHBondContact CG1-O 3.26Å; I213-K227 PolarHBondContact N-O 3.42Å; D224-K227 VanDerWaalsContact O-CB 3.29Å; D224-K227 WeakPolarHBondContact O-CB 3.48Å; D224-K227 WeakPolarHBondContact O-CG 3.43Å; D224-K227 PolarHBondContact O-N 2.79Å; Y225-K227 PolarHBondContact O-N 2.53Å; Y225-K227 PolarHBondContact O-NZ 2.73Å; K227-Q254 VanDerWaalsContact CA-OE1 3.28Å; K227-P285 HydrophobicContact CD-CG 4.14Å
228	V	95.6	Very high	90.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.22	C	C	.	.			trans	-91	-26.2	175	-72.5	0	0	0	0	113.9	E75 T78 I208 R209 P212	E75-V228 HydrophobicContact CB-CG2 4.49Å; T78-V228 HydrophobicContact CG2-CG1 3.41Å; T78-V228 VanDerWaalsContact CG2-CG1 3.41Å; I208-V228 HydrophobicContact CG2-CB 4.34Å; I208-V228 HydrophobicContact CG2-CG2 4.45Å; R209-V228 PolarHBondContact N-O 3.36Å; P212-V228 HydrophobicContact CB-CG1 4.41Å; P212-V228 HydrophobicContact CG-CG1 4.06Å
229	T	96.9	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-76.8	139.5	179.2	54.2	0	0	0	0	111.5	T170 L207 R252 Q254	T170-T229 HydrophobicContact CG2-CG2 3.45Å; T170-T229 VanDerWaalsContact CG2-CG2 3.45Å; L207-T229 CarbonylContact O-C 3.49Å; L207-T229 VanDerWaalsContact O-CA 3.24Å; L207-T229 WeakPolarHBondContact O-CA 3.46Å; T229-R252 PolarHBondContact O-NH2 2.96Å; T229-R252 PolarHBondContact OG1-NH1 3.15Å; T229-R252 PolarHBondContact OG1-NH2 2.76Å; T229-R252 VanDerWaalsContact OG1-NH2 3.16Å; T229-Q254 WeakPolarHBondContact CG2-O 3.27Å
230	T	96.2	Very high	93	Very high	28 Å²	28	32.7 Å²	32.7	17%	0.172	17%	0.172	C	C	.	.			trans	-94.7	177.9	171.6	73	0	0	0	0	110.7	K206 L207 R209 S232 N257	K206-T230 VanDerWaalsContact O-CG2 3.26Å; K206-T230 WeakPolarHBondContact O-CG2 3.49Å; K206-T230 PolarHBondContact O-OG1 3.35Å; L207-T230 PolarHBondContact O-N 2.83Å; L207-T230 PolarHBondContact O-OG1 3.48Å; R209-T230 HydrophobicContact CG-CG2 3.69Å; T230-S232 VanDerWaalsContact C-N 3.32Å; T230-S232 WeakPolarHBondContact OG1-CB 3.43Å; T230-S232 PolarHBondContact OG1-N 2.82Å; T230-S232 PolarHBondContact OG1-OG 2.72Å; T230-N257 PolarHBondContact O-ND2 2.86Å
231	E	95.7	Very high	94.2	Very high	64 Å²	64	28.9 Å²	28.9	30%	0.299	15%	0.154	S	C	.	.	S	Bend	trans	-94.3	24.5	171.9	-63.6	-60.7	148.4	0	0	112.7	R252 N257 L258 S259	E231-R252 IonicContact OE1-NE 2.76Å; E231-N257 WeakPolarHBondContact OE1-CB 3.4Å; E231-L258 WeakPolarHBondContact OE1-CB 3.39Å; E231-L258 PolarHBondContact OE1-N 2.95Å; E231-L258 PolarHBondContact OE2-N 3.01Å; E231-S259 WeakPolarHBondContact OE2-CB 3.35Å; E231-S259 PolarHBondContact OE2-N 2.88Å; E231-S259 PolarHBondContact OE2-OG 3.28Å
232	S	96.3	Very high	95	Very high	60 Å²	60	21.5 Å²	21.5	42%	0.42	12%	0.12	S	C	.	.	S	Bend	trans	-68.9	-30.9	-178.3	59.7	0	0	0	0	114.1	K206 L207 T230	K206-S232 VanDerWaalsContact C-OG 3.31Å; K206-S232 PolarHBondContact O-OG 3.32Å; L207-S232 VanDerWaalsContact CA-OG 3.26Å; L207-S232 WeakPolarHBondContact CA-OG 3.49Å; L207-S232 PolarHBondContact N-OG 2.88Å; T230-S232 VanDerWaalsContact C-N 3.32Å; T230-S232 WeakPolarHBondContact OG1-CB 3.43Å; T230-S232 PolarHBondContact OG1-N 2.82Å; T230-S232 PolarHBondContact OG1-OG 2.72Å
233	E	96.2	Very high	95.6	Very high	29 Å²	29	19.8 Å²	19.8	14%	0.136	11%	0.111	C	C	.	.	S	Bend	trans	-154.5	156.1	171.9	60	-171.3	158.1	0	0	110.2	P201 T202 N203 L207 C235 N257	P201-E233 WeakPolarHBondContact CA-OE1 3.49Å; P201-E233 WeakPolarHBondContact CA-OE2 3.44Å; P201-E233 HydrophobicContact CB-CG 4.34Å; P201-E233 WeakPolarHBondContact CB-OE1 3.31Å; T202-E233 VanDerWaalsContact N-CD 3.26Å; T202-E233 PolarHBondContact N-OE1 2.92Å; T202-E233 PolarHBondContact N-OE2 3.13Å; T202-E233 PolarHBondContact OG1-OE2 2.83Å; T202-E233 VanDerWaalsContact OG1-OE2 3.06Å; N203-E233 PolarHBondContact N-OE1 3.32Å; L207-E233 HydrophobicContact CB-CG 4.46Å; L207-E233 HydrophobicContact CD1-CG 4.07Å; L207-E233 HydrophobicContact CD2-CG 4.22Å; L207-E233 HydrophobicContact CG-CG 4.49Å; E233-C235 PolarHBondContact O-N 3.41Å; E233-N257 PolarHBondContact O-ND2 2.89Å
234	P	97.7	Very high	96.2	Very high	40 Å²	40	18.3 Å²	18.3	26%	0.26	10%	0.101	S	C	.	.			trans	-58.4	129.5	176.5	-24.1	34.2	0	0	0	112.3	W263	P234-W263 HydrophobicContact CB-CB 4.33Å
235	C	98.1	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.			trans	-141.5	139.5	170.6	78.8	0	0	0	0	111.5	T168 T170 P201 L207 E233 T256 N257	T168-C235 VanDerWaalsContact OG1-CA 3.26Å; T168-C235 WeakPolarHBondContact OG1-CA 3.3Å; T170-C235 VanDerWaalsContact OG1-CB 3.32Å; T170-C235 WeakPolarHBondContact OG1-CB 3.45Å; T170-C235 PolarHBondContact OG1-SG 3.11Å; T170-C235 VanDerWaalsContact OG1-SG 3.4Å; P201-C235 HydrophobicContact CG-CB 4.48Å; L207-C235 HydrophobicContact CD1-CB 4.12Å; L207-C235 HydrophobicContact CD2-CB 3.86Å; E233-C235 PolarHBondContact O-N 3.41Å; C235-T256 WeakPolarHBondContact O-CA 3.3Å; C235-N257 PolarHBondContact N-OD1 3.2Å; C235-N257 PolarHBondContact O-N 2.84Å; C235-N257 PolarHBondContact O-OD1 3.23Å; C235-N257 VanDerWaalsContact O-OD1 3.13Å; C235-N257 VanDerWaalsContact SG-CG 3.56Å
236	F	98.6	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.			trans	-160.6	153.7	174.6	68.9	-88.4	0	0	0	113.5	A167 T168 M169 A198 F241 V255 T256 W263 V264	A167-F236 HydrophobicContact CB-CD2 3.83Å; A167-F236 HydrophobicContact CB-CE2 3.51Å; A167-F236 HydrophobicContact CB-CZ 4.24Å; T168-F236 HydrophobicContact CG2-CD1 3.74Å; T168-F236 HydrophobicContact CG2-CE1 3.61Å; T168-F236 HydrophobicContact CG2-CZ 4.45Å; T168-F236 PolarHBondContact OG1-N 3.13Å; T168-F236 PolarHBondContact OG1-O 3.25Å; M169-F236 PolarHBondContact N-O 3.05Å; M169-F236 VanDerWaalsContact N-O 3.1Å; A198-F236 HydrophobicContact CB-CE1 3.64Å; A198-F236 HydrophobicContact CB-CZ 3.63Å; F236-F241 HydrophobicContact CB-CE2 3.96Å; F236-F241 HydrophobicContact CB-CZ 4.39Å; F236-F241 HydrophobicContact CD2-CD2 4.34Å; F236-F241 AromaticContact CD2-CE2 3.56Å; F236-F241 HydrophobicContact CD2-CE2 3.56Å; F236-F241 HydrophobicContact CD2-CZ 4.22Å; F236-F241 HydrophobicContact CE2-CE2 4.31Å; F236-F241 AromaticContact CG-CE2 3.97Å; F236-F241 HydrophobicContact CG-CE2 3.97Å; F236-F241 HydrophobicContact CG-CZ 4.34Å; F236-V255 VanDerWaalsContact CA-O 3.28Å; F236-V255 WeakPolarHBondContact CA-O 3.37Å; F236-T256 WeakPolarHBondContact CA-OG1 3.34Å; F236-T256 HydrophobicContact CB-CG2 3.68Å; F236-T256 WeakPolarHBondContact CB-OG1 3.43Å; F236-W263 AromaticContact CE1-CE3 3.7Å; F236-W263 HydrophobicContact CE1-CE3 3.7Å; F236-W263 HydrophobicContact CE1-CZ3 4.08Å; F236-W263 AromaticContact CZ-CE3 3.99Å; F236-W263 HydrophobicContact CZ-CE3 3.99Å; F236-W263 AromaticContact CZ-CZ3 3.91Å; F236-W263 HydrophobicContact CZ-CZ3 3.91Å; F236-V264 HydrophobicContact CD1-CG2 4.28Å; F236-V264 HydrophobicContact CD2-CG2 4.43Å; F236-V264 HydrophobicContact CE1-CG2 3.83Å; F236-V264 HydrophobicContact CE2-CG2 4.01Å; F236-V264 HydrophobicContact CZ-CG2 3.69Å
237	D	98.7	Very high	97.6	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.087	C	C	.	.			trans	-100.1	140.2	160.1	-78.4	18.5	0	0	0	108.3	D155 M169 R174 A239 D240 V255 T256 H287	D155-D237 CarbonylContact O-C 3.59Å; D155-D237 WeakPolarHBondContact O-CA 3.46Å; M169-D237 WeakPolarHBondContact CE-OD1 3.47Å; R174-D237 IonicContact NH1-OD2 3.75Å; R174-D237 PolarHBondContact NH1-OD2 2.94Å; D237-A239 PolarHBondContact O-N 3.34Å; D237-D240 PolarHBondContact O-N 2.92Å; D237-V255 HydrophobicContact CB-CB 4.47Å; D237-V255 HydrophobicContact CB-CG2 3.75Å; D237-T256 PolarHBondContact N-OG1 3.14Å; D237-T256 VanDerWaalsContact N-OG1 3.15Å; D237-H287 IonicContact OD2-CD2 3.84Å; D237-H287 IonicContact OD2-CE1 3.24Å; D237-H287 IonicContact OD2-NE2 3.53Å; D237-H287 PolarHBondContact OD2-NE2 3.45Å
238	A	98.8	Very high	97.8	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.5	-179.5	0	0	0	0	0	113	R154 D155 L158 A167 D240 F241	R154-A238 CarbonylContact O-C 3.58Å; R154-A238 VanDerWaalsContact O-CB 3.22Å; R154-A238 WeakPolarHBondContact O-CB 3.32Å; D155-A238 PolarHBondContact O-N 3.22Å; L158-A238 HydrophobicContact CB-CB 3.77Å; A167-A238 HydrophobicContact CB-CB 4.09Å; A238-D240 PolarHBondContact O-N 2.9Å; A238-F241 WeakPolarHBondContact O-CB 3.46Å; A238-F241 PolarHBondContact O-N 3.37Å
239	A	98.7	Very high	97.9	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-72.6	-5.6	178.5	0	0	0	0	0	114.2	R154 D237 H287 I288	R154-A239 HydrophobicContact CB-CB 4.49Å; R154-A239 HydrophobicContact CG-CB 3.89Å; R154-A239 PolarHBondContact O-N 3.01Å; D237-A239 PolarHBondContact O-N 3.34Å; A239-H287 HydrophobicContact CB-CB 3.79Å; A239-H287 WeakPolarHBondContact O-CA 3.28Å; A239-I288 PolarHBondContact O-N 3.34Å
240	D	98.7	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-80.4	-3.3	165.4	-80.4	-48.9	0	0	0	113.2	D237 A238 A250 Q251 S253 V255 T256 H287	D237-D240 PolarHBondContact O-N 2.92Å; A238-D240 PolarHBondContact O-N 2.9Å; D240-A250 CarbonylContact O-C 3.5Å; D240-A250 WeakPolarHBondContact O-CA 3.33Å; D240-Q251 HydrophobicContact CB-CG 4.15Å; D240-Q251 PolarHBondContact O-N 2.96Å; D240-Q251 WeakPolarHBondContact OD1-CG 3.46Å; D240-Q251 PolarHBondContact OD1-NE2 3.43Å; D240-S253 WeakPolarHBondContact OD1-CB 3.42Å; D240-S253 VanDerWaalsContact OD2-CB 3.28Å; D240-S253 WeakPolarHBondContact OD2-CB 3.17Å; D240-S253 PolarHBondContact OD2-OG 3.02Å; D240-V255 WeakPolarHBondContact OD2-CG2 3.45Å; D240-T256 HydrophobicContact CB-CG2 4.26Å; D240-T256 WeakPolarHBondContact CB-OG1 3.38Å; D240-T256 WeakPolarHBondContact OD2-CB 3.36Å; D240-T256 PolarHBondContact OD2-OG1 2.86Å; D240-H287 WeakPolarHBondContact OD1-CA 3.28Å; D240-H287 PolarHBondContact OD1-N 2.96Å
241	F	98.8	Very high	98	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.022	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.4	179.6	-58.9	-101.7	0	0	0	110.8	L158 F236 A238 I248 F249 A250 T256 I261 V264 V275	L158-F241 HydrophobicContact CD1-CB 4.13Å; L158-F241 HydrophobicContact CD2-CB 4.47Å; L158-F241 HydrophobicContact CD2-CG 4.4Å; F236-F241 HydrophobicContact CB-CE2 3.96Å; F236-F241 HydrophobicContact CB-CZ 4.39Å; F236-F241 HydrophobicContact CD2-CD2 4.34Å; F236-F241 AromaticContact CD2-CE2 3.56Å; F236-F241 HydrophobicContact CD2-CE2 3.56Å; F236-F241 HydrophobicContact CD2-CZ 4.22Å; F236-F241 HydrophobicContact CE2-CE2 4.31Å; F236-F241 AromaticContact CG-CE2 3.97Å; F236-F241 HydrophobicContact CG-CE2 3.97Å; F236-F241 HydrophobicContact CG-CZ 4.34Å; A238-F241 WeakPolarHBondContact O-CB 3.46Å; A238-F241 PolarHBondContact O-N 3.37Å; F241-I248 HydrophobicContact CB-CG2 3.94Å; F241-I248 HydrophobicContact CD1-CG2 3.93Å; F241-I248 HydrophobicContact CG-CG2 4.44Å; F241-F249 CarbonylContact C-O 3.59Å; F241-F249 VanDerWaalsContact CA-O 3.27Å; F241-F249 WeakPolarHBondContact CA-O 3.15Å; F241-A250 HydrophobicContact CD1-CB 3.59Å; F241-A250 HydrophobicContact CE1-CB 3.54Å; F241-A250 HydrophobicContact CG-CB 4.32Å; F241-A250 HydrophobicContact CZ-CB 4.21Å; F241-T256 HydrophobicContact CE2-CG2 4.3Å; F241-T256 HydrophobicContact CZ-CG2 4.39Å; F241-I261 HydrophobicContact CE1-CG2 4.3Å; F241-I261 HydrophobicContact CZ-CG1 4.34Å; F241-V264 HydrophobicContact CD1-CG1 4.19Å; F241-V264 HydrophobicContact CE1-CB 3.81Å; F241-V264 HydrophobicContact CE1-CG1 3.81Å; F241-V264 HydrophobicContact CE1-CG2 3.84Å; F241-V264 HydrophobicContact CE2-CG2 4.39Å; F241-V264 HydrophobicContact CZ-CB 4.12Å; F241-V264 HydrophobicContact CZ-CG1 4.45Å; F241-V264 HydrophobicContact CZ-CG2 3.65Å; F241-V275 HydrophobicContact CD1-CG1 4.42Å; F241-V275 HydrophobicContact CE1-CG1 4.18Å
242	I	98.7	Very high	98.1	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.015	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.4	174.5	-163.6	168.7	0	0	0	110.8	E52 I248 F249 I288 L294	E52-I242 HydrophobicContact CG-CD1 4.28Å; E52-I242 HydrophobicContact CG-CG1 3.67Å; I242-I248 WeakPolarHBondContact O-CA 3.18Å; I242-F249 HydrophobicContact CG2-CB 3.9Å; I242-F249 PolarHBondContact N-O 3.36Å; I242-F249 PolarHBondContact O-N 3.21Å; I242-I288 HydrophobicContact CB-CG2 3.97Å; I242-I288 HydrophobicContact CG2-CD1 4.39Å; I242-I288 HydrophobicContact CG2-CG2 4.14Å; I242-L294 HydrophobicContact CD1-CB 4.28Å; I242-L294 HydrophobicContact CD1-CD1 4.49Å; I242-L294 HydrophobicContact CD1-CG 4.07Å; I242-L294 HydrophobicContact CG1-CD1 4.12Å; I242-L294 HydrophobicContact CG1-CG 4.24Å; I242-L294 HydrophobicContact CG2-CD1 4.14Å; I242-L294 HydrophobicContact CG2-CG 4.39Å
243	R	98.8	Very high	98.1	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.011	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.6	-162.6	-53.5	165.3	-64.5	144.4	9.6	113.1	S49 N51 E52 L158 I159 I248 D395	S49-R243 PolarHBondContact O-NH1 3.24Å; S49-R243 VanDerWaalsContact O-NH1 3.13Å; S49-R243 PolarHBondContact OG-NH1 3.48Å; S49-R243 PolarHBondContact OG-NH2 2.94Å; N51-R243 PolarHBondContact O-NH2 2.9Å; E52-R243 VanDerWaalsContact CD-NH2 3.31Å; E52-R243 VanDerWaalsContact OE1-CB 3.25Å; E52-R243 WeakPolarHBondContact OE1-CB 3.42Å; E52-R243 WeakPolarHBondContact OE1-CG 3.44Å; E52-R243 IonicContact OE1-CZ 3.58Å; E52-R243 PolarHBondContact OE1-N 2.99Å; E52-R243 IonicContact OE1-NE 3.71Å; E52-R243 PolarHBondContact OE1-NE 3.49Å; E52-R243 IonicContact OE1-NH2 2.76Å; E52-R243 PolarHBondContact OE1-NH2 3.45Å; E52-R243 IonicContact OE2-CZ 3.96Å; E52-R243 IonicContact OE2-NE 3.13Å; E52-R243 IonicContact OE2-NH2 3.23Å; E52-R243 PolarHBondContact OE2-NH2 3.33Å; L158-R243 HydrophobicContact CD1-CG 4.29Å; I159-R243 WeakPolarHBondContact O-CD 3.22Å; I159-R243 PolarHBondContact O-NE 3.38Å; I159-R243 PolarHBondContact O-NH1 3.35Å; R243-I248 HydrophobicContact CB-CG1 4.41Å; R243-I248 HydrophobicContact CG-CD1 4.24Å; R243-I248 HydrophobicContact CG-CG1 4.14Å; R243-D395 IonicContact CZ-OD1 3.65Å; R243-D395 IonicContact CZ-OD2 2.91Å; R243-D395 IonicContact NH1-OD2 3.94Å; R243-D395 IonicContact NH2-OD1 3.23Å; R243-D395 PolarHBondContact NH2-OD1 2.96Å; R243-D395 IonicContact NH2-OD2 3.81Å; R243-D395 PolarHBondContact NH2-OD2 3.46Å
244	A	98.6	Very high	98.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	63.3	176.1	0	0	0	0	0	110.9	W53 R246 D247 F249 L294 Y405 F406	W53-A244 HydrophobicContact CH2-CB 3.73Å; W53-A244 HydrophobicContact CZ3-CB 4.3Å; A244-R246 PolarHBondContact O-N 3.13Å; A244-D247 CarbonylContact C-O 3.58Å; A244-D247 VanDerWaalsContact CA-O 3.31Å; A244-D247 WeakPolarHBondContact CA-O 3.43Å; A244-D247 HydrophobicContact CB-CB 4.49Å; A244-D247 WeakPolarHBondContact CB-O 3.43Å; A244-D247 PolarHBondContact N-O 2.85Å; A244-D247 PolarHBondContact O-N 3.23Å; A244-D247 VanDerWaalsContact O-N 3.15Å; A244-F249 HydrophobicContact CB-CE2 4.27Å; A244-L294 HydrophobicContact CB-CD1 3.81Å; A244-Y405 HydrophobicContact CB-CD2 4.27Å; A244-Y405 WeakPolarHBondContact O-CD2 2.97Å; A244-F406 HydrophobicContact CB-CD2 4.44Å; A244-F406 HydrophobicContact CB-CE2 3.59Å; A244-F406 HydrophobicContact CB-CZ 4.45Å
245	G	98.4	Very high	98.1	Very high	2 Å²	2	6.6 Å²	6.6	2%	0.021	3%	0.027	C	C	.	.	B	Isolated β-bridge	trans	65.3	-110.3	179.2	0	0	0	0	0	111.5	W50 D247 E403	W50-G245 VanDerWaalsContact O-CA 3.29Å; W50-G245 WeakPolarHBondContact O-CA 3.25Å; W50-G245 PolarHBondContact O-N 3.37Å; G245-D247 PolarHBondContact O-N 2.91Å; G245-E403 WeakPolarHBondContact CA-O 3.45Å
246	R	98.1	Very high	98.1	Very high	95 Å²	95	6.6 Å²	6.6	36%	0.358	3%	0.027	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.4	178.6	-71.3	-171.7	179.2	-72.3	-3.8	114.3	A244 G272 I273 K274 L402 E403	A244-R246 PolarHBondContact O-N 3.13Å; R246-G272 PolarHBondContact NH1-O 3.24Å; R246-I273 CarbonylContact O-C 3.58Å; R246-I273 WeakPolarHBondContact O-CA 3.16Å; R246-K274 PolarHBondContact O-N 2.62Å; R246-L402 HydrophobicContact CB-CD1 4.44Å; R246-L402 HydrophobicContact CG-CD1 3.6Å; R246-L402 HydrophobicContact CG-CD2 4.37Å; R246-L402 HydrophobicContact CG-CG 3.9Å; R246-E403 WeakPolarHBondContact CG-O 3.44Å; R246-E403 PolarHBondContact N-O 3.1Å
247	D	98.2	Very high	98.1	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.011	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.2	-179.9	-59.4	-80.6	0	0	0	109.5	A244 G245 F249 H276 F406 W408	A244-D247 CarbonylContact C-O 3.58Å; A244-D247 VanDerWaalsContact CA-O 3.31Å; A244-D247 WeakPolarHBondContact CA-O 3.43Å; A244-D247 HydrophobicContact CB-CB 4.49Å; A244-D247 WeakPolarHBondContact CB-O 3.43Å; A244-D247 PolarHBondContact N-O 2.85Å; A244-D247 PolarHBondContact O-N 3.23Å; A244-D247 VanDerWaalsContact O-N 3.15Å; G245-D247 PolarHBondContact O-N 2.91Å; D247-F249 HydrophobicContact CB-CE2 4.05Å; D247-F249 HydrophobicContact CB-CZ 4.14Å; D247-H276 IonicContact OD1-CD2 3Å; D247-H276 IonicContact OD1-CE1 3.99Å; D247-H276 IonicContact OD1-NE2 2.78Å; D247-H276 PolarHBondContact OD1-NE2 2.92Å; D247-F406 HydrophobicContact CB-CD2 3.9Å; D247-F406 HydrophobicContact CB-CE2 4.23Å; D247-W408 PolarHBondContact OD1-NE1 3.37Å
248	I	98.6	Very high	98	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.8	170.2	-62	-179.6	0	0	0	107	V160 F241 I242 R243 L268 I273 K274 V275 H276	V160-I248 HydrophobicContact CG1-CD1 4.27Å; V160-I248 HydrophobicContact CG2-CD1 4Å; F241-I248 HydrophobicContact CB-CG2 3.94Å; F241-I248 HydrophobicContact CD1-CG2 3.93Å; F241-I248 HydrophobicContact CG-CG2 4.44Å; I242-I248 WeakPolarHBondContact O-CA 3.18Å; R243-I248 HydrophobicContact CB-CG1 4.41Å; R243-I248 HydrophobicContact CG-CD1 4.24Å; R243-I248 HydrophobicContact CG-CG1 4.14Å; I248-L268 HydrophobicContact CD1-CD1 3.66Å; I248-I273 HydrophobicContact CD1-CG2 3.81Å; I248-I273 HydrophobicContact CG1-CG2 3.95Å; I248-K274 PolarHBondContact N-O 3.19Å; I248-V275 HydrophobicContact CB-CG2 4.36Å; I248-V275 CarbonylContact O-C 3.19Å; I248-V275 VanDerWaalsContact O-CA 3.32Å; I248-V275 WeakPolarHBondContact O-CA 3.28Å; I248-H276 PolarHBondContact O-N 2.76Å
249	F	98.4	Very high	97.9	Very high	1 Å²	1	10 Å²	10	0%	0.004	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	177.3	-59.1	-88	0	0	0	109.4	F241 I242 A244 D247 H276 L278 L294 F406 W408 I413	F241-F249 CarbonylContact C-O 3.59Å; F241-F249 VanDerWaalsContact CA-O 3.27Å; F241-F249 WeakPolarHBondContact CA-O 3.15Å; I242-F249 HydrophobicContact CG2-CB 3.9Å; I242-F249 PolarHBondContact N-O 3.36Å; I242-F249 PolarHBondContact O-N 3.21Å; A244-F249 HydrophobicContact CB-CE2 4.27Å; D247-F249 HydrophobicContact CB-CE2 4.05Å; D247-F249 HydrophobicContact CB-CZ 4.14Å; F249-H276 CarbonylContact C-O 3.55Å; F249-H276 WeakPolarHBondContact CA-O 3.45Å; F249-H276 HydrophobicContact CD1-CB 3.77Å; F249-H276 HydrophobicContact CE1-CB 4Å; F249-H276 AromaticContact CE1-CD2 3.93Å; F249-L278 HydrophobicContact CB-CD1 3.77Å; F249-L278 HydrophobicContact CB-CG 4.07Å; F249-L278 HydrophobicContact CD1-CD1 3.87Å; F249-L278 HydrophobicContact CD1-CD2 3.95Å; F249-L278 HydrophobicContact CD1-CG 3.89Å; F249-L278 HydrophobicContact CG-CD1 4.04Å; F249-L278 HydrophobicContact CG-CG 4.38Å; F249-L294 HydrophobicContact CD2-CD1 4.23Å; F249-L294 HydrophobicContact CE2-CD1 4.48Å; F249-F406 HydrophobicContact CE1-CE1 4.44Å; F249-F406 HydrophobicContact CE1-CZ 4.48Å; F249-F406 HydrophobicContact CE2-CD2 4.3Å; F249-F406 HydrophobicContact CE2-CE1 4.04Å; F249-F406 AromaticContact CE2-CE2 3.47Å; F249-F406 HydrophobicContact CE2-CE2 3.47Å; F249-F406 VanDerWaalsContact CE2-CE2 3.47Å; F249-F406 AromaticContact CE2-CZ 3.32Å; F249-F406 HydrophobicContact CE2-CZ 3.32Å; F249-F406 HydrophobicContact CZ-CD1 4.03Å; F249-F406 HydrophobicContact CZ-CD2 4.09Å; F249-F406 AromaticContact CZ-CE1 3.51Å; F249-F406 HydrophobicContact CZ-CE1 3.51Å; F249-F406 AromaticContact CZ-CE2 3.59Å; F249-F406 HydrophobicContact CZ-CE2 3.59Å; F249-F406 HydrophobicContact CZ-CG 4.31Å; F249-F406 AromaticContact CZ-CZ 3.28Å; F249-F406 HydrophobicContact CZ-CZ 3.28Å; F249-W408 AromaticContact CE1-CH2 3.93Å; F249-W408 HydrophobicContact CE1-CH2 3.93Å; F249-W408 HydrophobicContact CE1-CZ2 4.17Å; F249-W408 AromaticContact CZ-CH2 4Å; F249-W408 HydrophobicContact CZ-CH2 4Å; F249-W408 AromaticContact CZ-CZ2 3.95Å; F249-W408 HydrophobicContact CZ-CZ2 3.95Å; F249-I413 HydrophobicContact CD1-CD1 4.14Å; F249-I413 HydrophobicContact CE1-CD1 3.75Å
250	A	98.2	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.9	-179.3	0	0	0	0	0	110.7	D240 F241 I261 V275 H276 R277 L278	D240-A250 CarbonylContact O-C 3.5Å; D240-A250 WeakPolarHBondContact O-CA 3.33Å; F241-A250 HydrophobicContact CD1-CB 3.59Å; F241-A250 HydrophobicContact CE1-CB 3.54Å; F241-A250 HydrophobicContact CG-CB 4.32Å; F241-A250 HydrophobicContact CZ-CB 4.21Å; A250-I261 HydrophobicContact CB-CD1 4.24Å; A250-I261 HydrophobicContact CB-CG1 4.21Å; A250-I261 HydrophobicContact CB-CG2 3.66Å; A250-V275 HydrophobicContact CB-CG1 4.11Å; A250-H276 PolarHBondContact N-O 3.15Å; A250-R277 CarbonylContact O-C 3.56Å; A250-R277 WeakPolarHBondContact O-CA 3.41Å; A250-L278 PolarHBondContact O-N 2.92Å
251	Q	96.6	Very high	97.9	Very high	4 Å²	4	10 Å²	10	2%	0.019	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.6	166.8	68.2	172.8	-7.3	0	0	112.4	D240 S253 T256 F280 H287 I288	D240-Q251 HydrophobicContact CB-CG 4.15Å; D240-Q251 PolarHBondContact O-N 2.96Å; D240-Q251 WeakPolarHBondContact OD1-CG 3.46Å; D240-Q251 PolarHBondContact OD1-NE2 3.43Å; Q251-S253 PolarHBondContact O-N 3.4Å; Q251-T256 WeakPolarHBondContact O-CG2 3.45Å; Q251-F280 HydrophobicContact CB-CD2 4.46Å; Q251-F280 HydrophobicContact CB-CE2 4.14Å; Q251-H287 PolarHBondContact NE2-O 3.4Å; Q251-I288 HydrophobicContact CB-CD1 4.32Å; Q251-I288 HydrophobicContact CG-CB 4.19Å; Q251-I288 HydrophobicContact CG-CD1 4.49Å; Q251-I288 HydrophobicContact CG-CG1 4.39Å
252	R	96.2	Very high	97.8	Very high	15 Å²	15	11.5 Å²	11.5	6%	0.057	6%	0.055	C	C	.	.			trans	-74.3	118.8	163.8	176.1	75.9	179.8	91.8	1.2	108	P223 D224 T229 E231 T256 L258	P223-R252 HydrophobicContact CB-CB 4.42Å; P223-R252 HydrophobicContact CB-CG 4.17Å; P223-R252 WeakPolarHBondContact O-CG 3.48Å; D224-R252 IonicContact OD1-CZ 3.4Å; D224-R252 VanDerWaalsContact OD1-CZ 3.27Å; D224-R252 IonicContact OD1-NE 2.72Å; D224-R252 PolarHBondContact OD1-NE 2.59Å; D224-R252 IonicContact OD1-NH2 2.75Å; D224-R252 PolarHBondContact OD1-NH2 2.61Å; T229-R252 PolarHBondContact O-NH2 2.96Å; T229-R252 PolarHBondContact OG1-NH1 3.15Å; T229-R252 PolarHBondContact OG1-NH2 2.76Å; T229-R252 VanDerWaalsContact OG1-NH2 3.16Å; E231-R252 IonicContact OE1-NE 2.76Å; R252-T256 VanDerWaalsContact CD-O 3.3Å; R252-T256 WeakPolarHBondContact CD-O 3.36Å; R252-T256 PolarHBondContact NH1-O 2.92Å; R252-L258 HydrophobicContact CB-CD2 4.36Å
253	S	97	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.			trans	-130.7	-177.8	-174	85	0	0	0	0	111.6	D240 Q251 V255 T256 P285	D240-S253 WeakPolarHBondContact OD1-CB 3.42Å; D240-S253 VanDerWaalsContact OD2-CB 3.28Å; D240-S253 WeakPolarHBondContact OD2-CB 3.17Å; D240-S253 PolarHBondContact OD2-OG 3.02Å; Q251-S253 PolarHBondContact O-N 3.4Å; S253-V255 PolarHBondContact O-N 2.92Å; S253-V255 WeakPolarHBondContact OG-CG2 3.42Å; S253-V255 PolarHBondContact OG-N 2.76Å; S253-T256 PolarHBondContact N-O 3.21Å; S253-T256 PolarHBondContact OG-N 3.19Å; S253-P285 CarbonylContact C-O 3.35Å; S253-P285 WeakPolarHBondContact CB-O 3.41Å
254	Q	96.7	Very high	97.8	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.019	6%	0.063	C	C	.	.	S	Bend	trans	-61.6	-21.3	171.9	-64.5	-62.5	-5.6	0	0	113.4	C79 G226 K227 T229 P285	C79-Q254 VanDerWaalsContact SG-CB 3.57Å; G226-Q254 PolarHBondContact O-NE2 2.54Å; K227-Q254 VanDerWaalsContact CA-OE1 3.28Å; T229-Q254 WeakPolarHBondContact CG2-O 3.27Å; Q254-P285 WeakPolarHBondContact CG-O 3.44Å; Q254-P285 PolarHBondContact N-O 3.09Å
255	V	97.7	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-117.2	-10.1	-174.8	-62.8	0	0	0	0	113.3	T170 F236 D237 D240 S253 M286	T170-V255 WeakPolarHBondContact CB-O 3.22Å; T170-V255 HydrophobicContact CG2-CB 4.48Å; T170-V255 PolarHBondContact OG1-O 3.35Å; F236-V255 VanDerWaalsContact CA-O 3.28Å; F236-V255 WeakPolarHBondContact CA-O 3.37Å; D237-V255 HydrophobicContact CB-CB 4.47Å; D237-V255 HydrophobicContact CB-CG2 3.75Å; D240-V255 WeakPolarHBondContact OD2-CG2 3.45Å; S253-V255 PolarHBondContact O-N 2.92Å; S253-V255 WeakPolarHBondContact OG-CG2 3.42Å; S253-V255 PolarHBondContact OG-N 2.76Å; V255-M286 HydrophobicContact CG1-CG 4.34Å; V255-M286 HydrophobicContact CG1-SD 4.39Å; V255-M286 HydrophobicContact CG2-CG 3.94Å
256	T	98.3	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.099	C	C	.	.			trans	-122.7	116.8	178.9	-63.8	0	0	0	0	110.4	C235 F236 D237 D240 F241 Q251 R252 S253 I261	C235-T256 WeakPolarHBondContact O-CA 3.3Å; F236-T256 WeakPolarHBondContact CA-OG1 3.34Å; F236-T256 HydrophobicContact CB-CG2 3.68Å; F236-T256 WeakPolarHBondContact CB-OG1 3.43Å; D237-T256 PolarHBondContact N-OG1 3.14Å; D237-T256 VanDerWaalsContact N-OG1 3.15Å; D240-T256 HydrophobicContact CB-CG2 4.26Å; D240-T256 WeakPolarHBondContact CB-OG1 3.38Å; D240-T256 WeakPolarHBondContact OD2-CB 3.36Å; D240-T256 PolarHBondContact OD2-OG1 2.86Å; F241-T256 HydrophobicContact CE2-CG2 4.3Å; F241-T256 HydrophobicContact CZ-CG2 4.39Å; Q251-T256 WeakPolarHBondContact O-CG2 3.45Å; R252-T256 VanDerWaalsContact CD-O 3.3Å; R252-T256 WeakPolarHBondContact CD-O 3.36Å; R252-T256 PolarHBondContact NH1-O 2.92Å; S253-T256 PolarHBondContact N-O 3.21Å; S253-T256 PolarHBondContact OG-N 3.19Å; T256-I261 HydrophobicContact CG2-CD1 4.1Å; T256-I261 HydrophobicContact CG2-CG1 3.54Å
257	N	97.4	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.			trans	-98	168.1	178.4	76.9	-5.2	0	0	0	112.2	T230 E231 E233 C235 S259 G260 I261	T230-N257 PolarHBondContact O-ND2 2.86Å; E231-N257 WeakPolarHBondContact OE1-CB 3.4Å; E233-N257 PolarHBondContact O-ND2 2.89Å; C235-N257 PolarHBondContact N-OD1 3.2Å; C235-N257 PolarHBondContact O-N 2.84Å; C235-N257 PolarHBondContact O-OD1 3.23Å; C235-N257 VanDerWaalsContact O-OD1 3.13Å; C235-N257 VanDerWaalsContact SG-CG 3.56Å; N257-S259 VanDerWaalsContact C-N 3.3Å; N257-S259 PolarHBondContact O-N 3.13Å; N257-G260 PolarHBondContact O-N 2.96Å; N257-G260 VanDerWaalsContact O-N 3.15Å; N257-G260 WeakPolarHBondContact OD1-CA 3.43Å; N257-G260 PolarHBondContact OD1-N 2.87Å; N257-I261 WeakPolarHBondContact O-CG1 3.25Å; N257-I261 PolarHBondContact O-N 3.47Å; N257-I261 VanDerWaalsContact O-N 3.12Å
258	L	96.7	Very high	97.8	Very high	36 Å²	36	21.5 Å²	21.5	19%	0.188	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-38.9	-177.2	-62.1	177.3	0	0	0	111.3	P223 E231 R252 G260 I261 E262 I416	P223-L258 HydrophobicContact CG-CD1 4.2Å; E231-L258 WeakPolarHBondContact OE1-CB 3.39Å; E231-L258 PolarHBondContact OE1-N 2.95Å; E231-L258 PolarHBondContact OE2-N 3.01Å; R252-L258 HydrophobicContact CB-CD2 4.36Å; L258-G260 VanDerWaalsContact C-N 3.27Å; L258-G260 PolarHBondContact O-N 2.97Å; L258-I261 PolarHBondContact O-N 2.79Å; L258-E262 WeakPolarHBondContact O-CB 3.45Å; L258-E262 PolarHBondContact O-N 2.9Å; L258-I416 HydrophobicContact CD2-CG2 4.31Å
259	S	97.3	Very high	97.7	Very high	39 Å²	39	26 Å²	26	27%	0.273	12%	0.115	S	C	.	.	H	α-helix	trans	-60.5	-35.2	175	-63.9	0	0	0	0	112.8	E231 N257 W263	E231-S259 WeakPolarHBondContact OE2-CB 3.35Å; E231-S259 PolarHBondContact OE2-N 2.88Å; E231-S259 PolarHBondContact OE2-OG 3.28Å; N257-S259 VanDerWaalsContact C-N 3.3Å; N257-S259 PolarHBondContact O-N 3.13Å; S259-W263 WeakPolarHBondContact O-CB 3.31Å; S259-W263 PolarHBondContact O-N 3.48Å
260	G	98.3	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-48	174.2	0	0	0	0	0	112.2	N257 L258 E262 W263 V264	N257-G260 PolarHBondContact O-N 2.96Å; N257-G260 VanDerWaalsContact O-N 3.15Å; N257-G260 WeakPolarHBondContact OD1-CA 3.43Å; N257-G260 PolarHBondContact OD1-N 2.87Å; L258-G260 VanDerWaalsContact C-N 3.27Å; L258-G260 PolarHBondContact O-N 2.97Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact O-N 2.97Å; G260-W263 WeakPolarHBondContact O-CB 3.42Å; G260-W263 PolarHBondContact O-N 3.13Å; G260-V264 PolarHBondContact O-N 3.23Å; G260-V264 VanDerWaalsContact O-N 3.16Å
261	I	98.4	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-42.5	175.6	-52.9	172.7	0	0	0	110.3	F241 A250 T256 N257 L258 W263 V264 R265 V275 R277 I416	F241-I261 HydrophobicContact CE1-CG2 4.3Å; F241-I261 HydrophobicContact CZ-CG1 4.34Å; A250-I261 HydrophobicContact CB-CD1 4.24Å; A250-I261 HydrophobicContact CB-CG1 4.21Å; A250-I261 HydrophobicContact CB-CG2 3.66Å; T256-I261 HydrophobicContact CG2-CD1 4.1Å; T256-I261 HydrophobicContact CG2-CG1 3.54Å; N257-I261 WeakPolarHBondContact O-CG1 3.25Å; N257-I261 PolarHBondContact O-N 3.47Å; N257-I261 VanDerWaalsContact O-N 3.12Å; L258-I261 PolarHBondContact O-N 2.79Å; I261-W263 VanDerWaalsContact C-N 3.33Å; I261-W263 PolarHBondContact O-N 3.31Å; I261-V264 PolarHBondContact O-N 3.49Å; I261-R265 PolarHBondContact O-N 3.06Å; I261-V275 HydrophobicContact CG2-CG1 3.84Å; I261-R277 HydrophobicContact CD1-CG 4.37Å; I261-I416 HydrophobicContact CB-CD1 4.09Å; I261-I416 HydrophobicContact CG2-CD1 3.38Å; I261-I416 HydrophobicContact CG2-CG1 4.16Å
262	E	98.1	Very high	97.7	Very high	37 Å²	37	35.5 Å²	35.5	17%	0.173	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-35.9	178	177.5	61.3	-176	0	0	112.4	L258 G260 R265 R266	L258-E262 WeakPolarHBondContact O-CB 3.45Å; L258-E262 PolarHBondContact O-N 2.9Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact O-N 2.97Å; E262-R265 PolarHBondContact O-N 3.36Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NE 3.81Å; E262-R265 IonicContact OE1-NH2 3.72Å; E262-R265 PolarHBondContact OE1-NH2 2.99Å; E262-R265 IonicContact OE2-CZ 2.72Å; E262-R265 IonicContact OE2-NE 3.47Å; E262-R265 PolarHBondContact OE2-NE 3.05Å; E262-R265 IonicContact OE2-NH2 3.79Å; E262-R265 PolarHBondContact OE2-NH2 3.42Å; E262-R266 WeakPolarHBondContact O-CG 3.19Å; E262-R266 PolarHBondContact O-N 2.92Å; E262-R266 IonicContact OE1-CZ 3.8Å; E262-R266 VanDerWaalsContact OE1-CZ 3.23Å; E262-R266 IonicContact OE1-NE 2.83Å; E262-R266 PolarHBondContact OE1-NE 3.48Å; E262-R266 IonicContact OE1-NH2 3.96Å; E262-R266 PolarHBondContact OE1-NH2 2.58Å
263	W	98.5	Very high	97.7	Very high	54 Å²	54	35 Å²	35	21%	0.205	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-48.8	172.8	-178.2	90.2	0	0	0	111	I165 T196 A198 P199 P234 F236 S259 G260 I261 R265 R266 H267	I165-W263 HydrophobicContact CG2-CH2 4.18Å; I165-W263 HydrophobicContact CG2-CZ3 4.04Å; T196-W263 HydrophobicContact CG2-CH2 3.86Å; T196-W263 HydrophobicContact CG2-CZ2 4.33Å; A198-W263 HydrophobicContact CB-CD2 4.43Å; A198-W263 HydrophobicContact CB-CE3 4.03Å; A198-W263 HydrophobicContact CB-CH2 3.6Å; A198-W263 HydrophobicContact CB-CZ2 4.01Å; A198-W263 HydrophobicContact CB-CZ3 3.61Å; P199-W263 VanDerWaalsContact CD-NE1 3.27Å; P234-W263 HydrophobicContact CB-CB 4.33Å; F236-W263 AromaticContact CE1-CE3 3.7Å; F236-W263 HydrophobicContact CE1-CE3 3.7Å; F236-W263 HydrophobicContact CE1-CZ3 4.08Å; F236-W263 AromaticContact CZ-CE3 3.99Å; F236-W263 HydrophobicContact CZ-CE3 3.99Å; F236-W263 AromaticContact CZ-CZ3 3.91Å; F236-W263 HydrophobicContact CZ-CZ3 3.91Å; S259-W263 WeakPolarHBondContact O-CB 3.31Å; S259-W263 PolarHBondContact O-N 3.48Å; G260-W263 WeakPolarHBondContact O-CB 3.42Å; G260-W263 PolarHBondContact O-N 3.13Å; I261-W263 VanDerWaalsContact C-N 3.33Å; I261-W263 PolarHBondContact O-N 3.31Å; W263-R265 VanDerWaalsContact C-N 3.33Å; W263-R265 PolarHBondContact O-N 2.96Å; W263-R266 PolarHBondContact O-N 2.77Å; W263-H267 HydrophobicContact CH2-CB 4.48Å; W263-H267 VanDerWaalsContact O-CB 3.28Å; W263-H267 WeakPolarHBondContact O-CB 3.37Å; W263-H267 PolarHBondContact O-N 2.8Å
264	V	98.6	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-42.8	177.4	-179.9	0	0	0	0	110.6	L158 F236 F241 G260 I261 H267 L268 V275	L158-V264 HydrophobicContact CD2-CG1 4.2Å; F236-V264 HydrophobicContact CD1-CG2 4.28Å; F236-V264 HydrophobicContact CD2-CG2 4.43Å; F236-V264 HydrophobicContact CE1-CG2 3.83Å; F236-V264 HydrophobicContact CE2-CG2 4.01Å; F236-V264 HydrophobicContact CZ-CG2 3.69Å; F241-V264 HydrophobicContact CD1-CG1 4.19Å; F241-V264 HydrophobicContact CE1-CB 3.81Å; F241-V264 HydrophobicContact CE1-CG1 3.81Å; F241-V264 HydrophobicContact CE1-CG2 3.84Å; F241-V264 HydrophobicContact CE2-CG2 4.39Å; F241-V264 HydrophobicContact CZ-CB 4.12Å; F241-V264 HydrophobicContact CZ-CG1 4.45Å; F241-V264 HydrophobicContact CZ-CG2 3.65Å; G260-V264 PolarHBondContact O-N 3.23Å; G260-V264 VanDerWaalsContact O-N 3.16Å; I261-V264 PolarHBondContact O-N 3.49Å; V264-H267 PolarHBondContact O-N 2.78Å; V264-L268 HydrophobicContact CG1-CD1 3.67Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 WeakPolarHBondContact O-CG 3.39Å; V264-L268 PolarHBondContact O-N 3.39Å; V264-V275 HydrophobicContact CG1-CG2 4.11Å
265	R	98.3	Very high	97.8	Very high	42 Å²	42	40 Å²	40	16%	0.158	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-53	177.3	-167.8	-160.5	63.8	69.7	4.1	111.7	I261 E262 W263 H267 L268 E269 V275 I416	I261-R265 PolarHBondContact O-N 3.06Å; E262-R265 PolarHBondContact O-N 3.36Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NE 3.81Å; E262-R265 IonicContact OE1-NH2 3.72Å; E262-R265 PolarHBondContact OE1-NH2 2.99Å; E262-R265 IonicContact OE2-CZ 2.72Å; E262-R265 IonicContact OE2-NE 3.47Å; E262-R265 PolarHBondContact OE2-NE 3.05Å; E262-R265 IonicContact OE2-NH2 3.79Å; E262-R265 PolarHBondContact OE2-NH2 3.42Å; W263-R265 VanDerWaalsContact C-N 3.33Å; W263-R265 PolarHBondContact O-N 2.96Å; R265-H267 VanDerWaalsContact C-N 3.29Å; R265-H267 PolarHBondContact O-N 3.09Å; R265-L268 PolarHBondContact O-N 2.95Å; R265-E269 IonicContact CZ-OE2 2.82Å; R265-E269 IonicContact NH1-OE1 2.89Å; R265-E269 PolarHBondContact NH1-OE1 3.23Å; R265-E269 VanDerWaalsContact NH1-OE1 3.11Å; R265-E269 IonicContact NH1-OE2 3.58Å; R265-E269 PolarHBondContact NH1-OE2 3.36Å; R265-E269 WeakPolarHBondContact O-CB 3.2Å; R265-E269 PolarHBondContact O-N 3.34Å; R265-V275 HydrophobicContact CB-CB 3.92Å; R265-V275 HydrophobicContact CB-CG2 4.19Å; R265-V275 HydrophobicContact CG-CB 4.02Å; R265-V275 HydrophobicContact CG-CG2 4.46Å; R265-I416 HydrophobicContact CB-CD1 4Å; R265-I416 HydrophobicContact CG-CD1 4.36Å
266	R	97.9	Very high	97.8	Very high	161 Å²	161	40.9 Å²	40.9	61%	0.608	20%	0.202	S	C	*	.	H	α-helix	trans	-63.2	-35.6	179.7	-73.2	-175.7	-166.3	167.2	11.9	112.6	E262 W263 P270	E262-R266 WeakPolarHBondContact O-CG 3.19Å; E262-R266 PolarHBondContact O-N 2.92Å; E262-R266 IonicContact OE1-CZ 3.8Å; E262-R266 VanDerWaalsContact OE1-CZ 3.23Å; E262-R266 IonicContact OE1-NE 2.83Å; E262-R266 PolarHBondContact OE1-NE 3.48Å; E262-R266 IonicContact OE1-NH2 3.96Å; E262-R266 PolarHBondContact OE1-NH2 2.58Å; W263-R266 PolarHBondContact O-N 2.77Å; R266-P270 VanDerWaalsContact O-CD 3.23Å; R266-P270 WeakPolarHBondContact O-CD 3.36Å
267	H	98.6	Very high	97.7	Very high	57 Å²	57	43.2 Å²	43.2	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-66.9	-40.2	179.2	-176.8	69.6	0	0	0	112.1	E163 W263 V264 R265	E163-H267 IonicContact OE1-CD2 3.58Å; E163-H267 IonicContact OE1-CE1 2.76Å; E163-H267 PolarHBondContact OE1-CE1 2.99Å; E163-H267 IonicContact OE1-NE2 3.63Å; E163-H267 PolarHBondContact OE1-NE2 3.25Å; E163-H267 IonicContact OE2-NE2 2.8Å; W263-H267 HydrophobicContact CH2-CB 4.48Å; W263-H267 VanDerWaalsContact O-CB 3.28Å; W263-H267 WeakPolarHBondContact O-CB 3.37Å; W263-H267 PolarHBondContact O-N 2.8Å; V264-H267 PolarHBondContact O-N 2.78Å; R265-H267 VanDerWaalsContact C-N 3.29Å; R265-H267 PolarHBondContact O-N 3.09Å
268	L	98.5	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-94.7	-22.7	-173.8	-63.8	179.8	0	0	0	114.5	V160 I165 I248 V264 R265 P270 R271 I273 V275	V160-L268 HydrophobicContact CB-CD2 4.27Å; V160-L268 HydrophobicContact CG1-CD1 4.26Å; V160-L268 HydrophobicContact CG1-CD2 4.02Å; V160-L268 HydrophobicContact CG2-CD1 4.02Å; V160-L268 HydrophobicContact CG2-CD2 4.4Å; I165-L268 HydrophobicContact CD1-CD2 4.02Å; I248-L268 HydrophobicContact CD1-CD1 3.66Å; V264-L268 HydrophobicContact CG1-CD1 3.67Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 WeakPolarHBondContact O-CG 3.39Å; V264-L268 PolarHBondContact O-N 3.39Å; R265-L268 PolarHBondContact O-N 2.95Å; L268-P270 VanDerWaalsContact C-CD 3.49Å; L268-R271 WeakPolarHBondContact O-CA 3.36Å; L268-R271 WeakPolarHBondContact O-CB 3.25Å; L268-R271 PolarHBondContact O-N 3.43Å; L268-I273 HydrophobicContact CB-CB 4.07Å; L268-I273 HydrophobicContact CB-CG2 4.24Å; L268-I273 HydrophobicContact CD1-CG2 4.38Å; L268-V275 HydrophobicContact CD1-CG2 4.45Å
269	E	97.1	Very high	97.5	Very high	95 Å²	95	42.6 Å²	42.6	44%	0.444	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-52.5	-43.1	179.6	174.4	172.2	-121.3	0	0	113.6	R265 R271 G272 I273	R265-E269 IonicContact CZ-OE2 2.82Å; R265-E269 IonicContact NH1-OE1 2.89Å; R265-E269 PolarHBondContact NH1-OE1 3.23Å; R265-E269 VanDerWaalsContact NH1-OE1 3.11Å; R265-E269 IonicContact NH1-OE2 3.58Å; R265-E269 PolarHBondContact NH1-OE2 3.36Å; R265-E269 WeakPolarHBondContact O-CB 3.2Å; R265-E269 PolarHBondContact O-N 3.34Å; E269-R271 PolarHBondContact O-N 3.49Å; E269-R271 VanDerWaalsContact O-N 3.09Å; E269-G272 PolarHBondContact O-N 2.86Å; E269-I273 WeakPolarHBondContact CA-O 3.47Å
270	P	97.9	Very high	97.3	Very high	111 Å²	111	41.8 Å²	41.8	72%	0.721	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-61	-19.6	175.9	-25.1	35.5	0	0	0	114.6	R266 L268 G272	R266-P270 VanDerWaalsContact O-CD 3.23Å; R266-P270 WeakPolarHBondContact O-CD 3.36Å; L268-P270 VanDerWaalsContact C-CD 3.49Å; P270-G272 VanDerWaalsContact C-N 3.29Å
271	R	96.5	Very high	96.8	Very high	58 Å²	58	45.6 Å²	45.6	22%	0.219	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-88.1	3.6	175	-61.5	176.6	68.7	-156.8	-6.3	112.4	V160 D162 E163 L268 E269 I273	V160-R271 PolarHBondContact O-NH1 2.98Å; V160-R271 PolarHBondContact O-NH2 3.2Å; D162-R271 IonicContact OD1-CZ 2.73Å; D162-R271 IonicContact OD1-NH2 3.36Å; D162-R271 PolarHBondContact OD1-NH2 3.41Å; E163-R271 IonicContact OE2-CZ 3.65Å; E163-R271 IonicContact OE2-NH1 2.97Å; E163-R271 PolarHBondContact OE2-NH1 3.12Å; L268-R271 WeakPolarHBondContact O-CA 3.36Å; L268-R271 WeakPolarHBondContact O-CB 3.25Å; L268-R271 PolarHBondContact O-N 3.43Å; E269-R271 PolarHBondContact O-N 3.49Å; E269-R271 VanDerWaalsContact O-N 3.09Å; R271-I273 HydrophobicContact CB-CD1 4.14Å; R271-I273 HydrophobicContact CB-CG1 4.28Å
272	G	97	Very high	96.1	Very high	37 Å²	37	46.5 Å²	46.5	38%	0.381	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	33.6	-177.7	0	0	0	0	0	112.9	R246 E269 P270	R246-G272 PolarHBondContact NH1-O 3.24Å; E269-G272 PolarHBondContact O-N 2.86Å; P270-G272 VanDerWaalsContact C-N 3.29Å
273	I	98	Very high	95.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.254	C	S	.	.			trans	-113.6	127.1	177.7	-57.1	174.4	0	0	0	107.9	W50 V160 R246 I248 L268 E269 R271	W50-I273 HydrophobicContact CZ3-CD1 4.04Å; V160-I273 HydrophobicContact CG1-CD1 3.29Å; R246-I273 CarbonylContact O-C 3.58Å; R246-I273 WeakPolarHBondContact O-CA 3.16Å; I248-I273 HydrophobicContact CD1-CG2 3.81Å; I248-I273 HydrophobicContact CG1-CG2 3.95Å; L268-I273 HydrophobicContact CB-CB 4.07Å; L268-I273 HydrophobicContact CB-CG2 4.24Å; L268-I273 HydrophobicContact CD1-CG2 4.38Å; E269-I273 WeakPolarHBondContact CA-O 3.47Å; R271-I273 HydrophobicContact CB-CD1 4.14Å; R271-I273 HydrophobicContact CB-CG1 4.28Å
274	K	97.1	Very high	94.4	Very high	99 Å²	99	52 Å²	52	43%	0.43	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138	178.8	-61.6	-178.7	-179.6	-175	0	109.4	R246 I248	R246-K274 PolarHBondContact O-N 2.62Å; I248-K274 PolarHBondContact N-O 3.19Å
275	V	98.1	Very high	93.8	Very high	10 Å²	10	52.3 Å²	52.3	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.2	170.7	-177.1	0	0	0	0	108	F241 I248 A250 I261 V264 R265 L268	F241-V275 HydrophobicContact CD1-CG1 4.42Å; F241-V275 HydrophobicContact CE1-CG1 4.18Å; I248-V275 HydrophobicContact CB-CG2 4.36Å; I248-V275 CarbonylContact O-C 3.19Å; I248-V275 VanDerWaalsContact O-CA 3.32Å; I248-V275 WeakPolarHBondContact O-CA 3.28Å; A250-V275 HydrophobicContact CB-CG1 4.11Å; I261-V275 HydrophobicContact CG2-CG1 3.84Å; V264-V275 HydrophobicContact CG1-CG2 4.11Å; R265-V275 HydrophobicContact CB-CB 3.92Å; R265-V275 HydrophobicContact CB-CG2 4.19Å; R265-V275 HydrophobicContact CG-CB 4.02Å; R265-V275 HydrophobicContact CG-CG2 4.46Å; L268-V275 HydrophobicContact CD1-CG2 4.45Å
276	H	97.3	Very high	93.6	Very high	19 Å²	19	52 Å²	52	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.8	-177.9	-55.8	-85.6	0	0	0	109.7	D247 I248 F249 A250 W408 I413	D247-H276 IonicContact OD1-CD2 3Å; D247-H276 IonicContact OD1-CE1 3.99Å; D247-H276 IonicContact OD1-NE2 2.78Å; D247-H276 PolarHBondContact OD1-NE2 2.92Å; I248-H276 PolarHBondContact O-N 2.76Å; F249-H276 CarbonylContact C-O 3.55Å; F249-H276 WeakPolarHBondContact CA-O 3.45Å; F249-H276 HydrophobicContact CD1-CB 3.77Å; F249-H276 HydrophobicContact CE1-CB 4Å; F249-H276 AromaticContact CE1-CD2 3.93Å; A250-H276 PolarHBondContact N-O 3.15Å; H276-W408 AromaticContact CE1-CE2 3.81Å; H276-W408 AromaticContact CE1-CZ2 3.75Å; H276-W408 AromaticContact CE1-NE1 4Å; H276-W408 AromaticContact NE2-CE2 3.86Å; H276-W408 AromaticContact NE2-CZ2 3.6Å; H276-W408 AromaticContact NE2-NE1 3.9Å; H276-I413 HydrophobicContact CB-CB 4.4Å; H276-I413 HydrophobicContact CB-CD1 3.86Å; H276-I413 HydrophobicContact CB-CG2 4.37Å
277	R	96	Very high	93.6	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.3	175.9	-176.7	169.2	62	109.2	-9	110.2	A250 I261 I413 I416	A250-R277 CarbonylContact O-C 3.56Å; A250-R277 WeakPolarHBondContact O-CA 3.41Å; I261-R277 HydrophobicContact CD1-CG 4.37Å; R277-I413 WeakPolarHBondContact O-CG2 3.39Å; R277-I416 HydrophobicContact CB-CG1 4.33Å; R277-I416 PolarHBondContact NE-OXT 3.17Å; R277-I416 PolarHBondContact NH2-OXT 2.94Å
278	L	95.5	Very high	93.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	150.8	167.5	-58.7	-176.6	0	0	0	110.3	F249 A250 F280 I288 F292 Q310 I314 I413	F249-L278 HydrophobicContact CB-CD1 3.77Å; F249-L278 HydrophobicContact CB-CG 4.07Å; F249-L278 HydrophobicContact CD1-CD1 3.87Å; F249-L278 HydrophobicContact CD1-CD2 3.95Å; F249-L278 HydrophobicContact CD1-CG 3.89Å; F249-L278 HydrophobicContact CG-CD1 4.04Å; F249-L278 HydrophobicContact CG-CG 4.38Å; A250-L278 PolarHBondContact O-N 2.92Å; L278-F280 HydrophobicContact CB-CE2 3.73Å; L278-F280 HydrophobicContact CB-CZ 3.67Å; L278-F280 HydrophobicContact CD1-CZ 3.95Å; L278-F280 HydrophobicContact CG-CZ 4.47Å; L278-I288 HydrophobicContact CD1-CD1 4.36Å; L278-F292 HydrophobicContact CD1-CD1 4.13Å; L278-F292 HydrophobicContact CD1-CE1 4.32Å; L278-Q310 VanDerWaalsContact CA-OE1 3.32Å; L278-Q310 HydrophobicContact CD2-CB 4.01Å; L278-Q310 HydrophobicContact CD2-CG 4.4Å; L278-I314 HydrophobicContact CD1-CD1 4.21Å; L278-I314 HydrophobicContact CD2-CD1 3.94Å; L278-I413 HydrophobicContact CD2-CD1 3.7Å
279	S	94.4	Very high	93.5	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.161	23%	0.226	C	C	.	.			trans	-129.8	151.4	170.4	60.5	0	0	0	0	110.8	H309 Q310	S279-H309 PolarHBondContact O-N 3.34Å; S279-H309 PolarHBondContact OG-ND1 3.29Å; S279-Q310 PolarHBondContact OG-NE2 3.06Å; S279-Q310 VanDerWaalsContact OG-NE2 3.15Å
280	F	93.2	Very high	93.5	Very high	21 Å²	21	38.1 Å²	38.1	9%	0.092	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-139.9	156.2	-172.3	-53.5	-87.3	0	0	0	110.4	Q251 L278 D282 I288 T291 F292 R306 P307 C308	Q251-F280 HydrophobicContact CB-CD2 4.46Å; Q251-F280 HydrophobicContact CB-CE2 4.14Å; L278-F280 HydrophobicContact CB-CE2 3.73Å; L278-F280 HydrophobicContact CB-CZ 3.67Å; L278-F280 HydrophobicContact CD1-CZ 3.95Å; L278-F280 HydrophobicContact CG-CZ 4.47Å; F280-D282 HydrophobicContact CB-CB 4.47Å; F280-D282 PolarHBondContact O-N 3.29Å; F280-I288 HydrophobicContact CE2-CD1 3.86Å; F280-I288 HydrophobicContact CE2-CG1 3.93Å; F280-I288 HydrophobicContact CZ-CD1 3.94Å; F280-I288 HydrophobicContact CZ-CG1 4.06Å; F280-T291 HydrophobicContact CB-CG2 4.08Å; F280-T291 HydrophobicContact CD1-CG2 3.48Å; F280-T291 VanDerWaalsContact CD1-CG2 3.48Å; F280-T291 HydrophobicContact CD2-CG2 3.89Å; F280-T291 HydrophobicContact CE1-CG2 3.8Å; F280-T291 HydrophobicContact CE2-CG2 4.19Å; F280-T291 HydrophobicContact CG-CG2 3.53Å; F280-T291 HydrophobicContact CZ-CG2 4.16Å; F280-F292 HydrophobicContact CE1-CB 3.7Å; F280-F292 HydrophobicContact CE1-CD2 4.17Å; F280-F292 HydrophobicContact CE1-CG 4.18Å; F280-F292 HydrophobicContact CZ-CB 3.66Å; F280-F292 HydrophobicContact CZ-CG 4.24Å; F280-R306 HydrophobicContact CB-CB 4.5Å; F280-R306 WeakPolarHBondContact CD1-O 3.2Å; F280-P307 WeakPolarHBondContact CA-O 3.33Å; F280-C308 HydrophobicContact CD1-CB 3.81Å; F280-C308 HydrophobicContact CE1-CB 3.55Å
281	V	87.3	Confident	93.5	Very high	81 Å²	81	32.9 Å²	32.9	49%	0.491	18%	0.175	S	C	.	.			trans	-76.1	79.4	164.2	-173.8	0	0	0	0	108.6	R306 P307 H309	V281-R306 WeakPolarHBondContact O-CA 3.34Å; V281-P307 HydrophobicContact CB-CG 4.26Å; V281-P307 HydrophobicContact CG2-CG 4.06Å; V281-P307 PolarHBondContact N-O 3.22Å; V281-H309 WeakPolarHBondContact CG2-NE2 3.4Å
282	D	84	Confident	93.6	Very high	18 Å²	18	30.2 Å²	30.2	10%	0.096	17%	0.165	C	C	.	.			trans	-125.6	118	176.9	-170.3	-13.7	0	0	0	110.2	F280 R284 P285 R306	F280-D282 HydrophobicContact CB-CB 4.47Å; F280-D282 PolarHBondContact O-N 3.29Å; D282-R284 VanDerWaalsContact C-N 3.26Å; D282-R284 PolarHBondContact O-N 3.01Å; D282-R284 PolarHBondContact OD1-N 3.18Å; D282-P285 HydrophobicContact CB-CB 4.17Å; D282-P285 WeakPolarHBondContact O-CD 3.05Å; D282-P285 WeakPolarHBondContact OD2-CA 3.3Å; D282-R306 HydrophobicContact CB-CB 4.49Å; D282-R306 HydrophobicContact CB-CG 4.13Å; D282-R306 IonicContact OD1-NE 3.69Å; D282-R306 WeakPolarHBondContact OD2-CD 3.45Å; D282-R306 IonicContact OD2-CZ 3.78Å; D282-R306 IonicContact OD2-NE 2.61Å; D282-R306 PolarHBondContact OD2-NE 3.34Å; D282-R306 IonicContact OD2-NH1 3.83Å
283	P	77.9	Confident	93.6	Very high	110 Å²	110	29 Å²	29	71%	0.714	15%	0.15	S	C	*	.	S	Bend	trans	-70.1	-20.5	-179.9	28.3	-35.6	0	0	0	113.5
284	R	83.2	Confident	93.6	Very high	98 Å²	98	29 Å²	29	37%	0.37	15%	0.15	S	C	.	.	S	Bend	trans	-141.7	62.5	-177.1	-66.1	-179.6	-67	146.3	2.7	110.7	A80 A81 D282 M286	A80-R284 PolarHBondContact O-NH1 3.06Å; A81-R284 VanDerWaalsContact N-NH1 3.19Å; D282-R284 VanDerWaalsContact C-N 3.26Å; D282-R284 PolarHBondContact O-N 3.01Å; D282-R284 PolarHBondContact OD1-N 3.18Å; R284-M286 PolarHBondContact O-N 3.31Å
285	P	85.9	Confident	93.7	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.039	13%	0.13	C	C	.	.			trans	-68.6	121.3	-173.7	28.5	-32.9	0	0	0	109.9	K227 S253 Q254 D282	K227-P285 HydrophobicContact CD-CG 4.14Å; S253-P285 CarbonylContact C-O 3.35Å; S253-P285 WeakPolarHBondContact CB-O 3.41Å; Q254-P285 WeakPolarHBondContact CG-O 3.44Å; Q254-P285 PolarHBondContact N-O 3.09Å; D282-P285 HydrophobicContact CB-CB 4.17Å; D282-P285 WeakPolarHBondContact O-CD 3.05Å; D282-P285 WeakPolarHBondContact OD2-CA 3.3Å
286	M	93.4	Very high	93.7	Very high	35 Å²	35	25.6 Å²	25.6	17%	0.172	13%	0.134	C	C	.	.			trans	-149.6	117.6	166.5	-177.4	-176.8	89.7	0	0	105.6	C79 W171 V255 R284 L337	C79-M286 HydrophobicContact CB-SD 3.64Å; C79-M286 PolarHBondContact SG-SD 3.04Å; W171-M286 HydrophobicContact CZ2-SD 4.16Å; V255-M286 HydrophobicContact CG1-CG 4.34Å; V255-M286 HydrophobicContact CG1-SD 4.39Å; V255-M286 HydrophobicContact CG2-CG 3.94Å; R284-M286 PolarHBondContact O-N 3.31Å; M286-L337 HydrophobicContact CE-CD1 4.31Å; M286-L337 HydrophobicContact CE-CD2 4.49Å
287	H	98	Very high	93.7	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.037	15%	0.146	C	C	.	.			trans	68.7	136.7	-177.7	-45.7	155.8	0	0	0	113.9	D155 D237 A239 D240 Q251 D289	D155-H287 IonicContact OD1-CE1 3.32Å; D155-H287 PolarHBondContact OD1-CE1 2.93Å; D155-H287 IonicContact OD1-ND1 3.7Å; D155-H287 IonicContact OD2-CE1 2.83Å; D155-H287 PolarHBondContact OD2-CE1 3.23Å; D155-H287 VanDerWaalsContact OD2-CE1 3.32Å; D237-H287 IonicContact OD2-CD2 3.84Å; D237-H287 IonicContact OD2-CE1 3.24Å; D237-H287 IonicContact OD2-NE2 3.53Å; D237-H287 PolarHBondContact OD2-NE2 3.45Å; A239-H287 HydrophobicContact CB-CB 3.79Å; A239-H287 WeakPolarHBondContact O-CA 3.28Å; D240-H287 WeakPolarHBondContact OD1-CA 3.28Å; D240-H287 PolarHBondContact OD1-N 2.96Å; Q251-H287 PolarHBondContact NE2-O 3.4Å; H287-D289 WeakPolarHBondContact CB-OD1 3.35Å
288	I	98	Very high	93.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.147	C	C	.	.	S	Bend	trans	-89	-21	-171.4	-160.7	171.8	0	0	0	111.9	A239 I242 Q251 L278 F280 A290 T291 F292	A239-I288 PolarHBondContact O-N 3.34Å; I242-I288 HydrophobicContact CB-CG2 3.97Å; I242-I288 HydrophobicContact CG2-CD1 4.39Å; I242-I288 HydrophobicContact CG2-CG2 4.14Å; Q251-I288 HydrophobicContact CB-CD1 4.32Å; Q251-I288 HydrophobicContact CG-CB 4.19Å; Q251-I288 HydrophobicContact CG-CD1 4.49Å; Q251-I288 HydrophobicContact CG-CG1 4.39Å; L278-I288 HydrophobicContact CD1-CD1 4.36Å; F280-I288 HydrophobicContact CE2-CD1 3.86Å; F280-I288 HydrophobicContact CE2-CG1 3.93Å; F280-I288 HydrophobicContact CZ-CD1 3.94Å; F280-I288 HydrophobicContact CZ-CG1 4.06Å; I288-A290 PolarHBondContact O-N 2.85Å; I288-A290 VanDerWaalsContact O-N 3.14Å; I288-T291 CarbonylContact O-C 3.3Å; I288-T291 WeakPolarHBondContact O-CA 3.47Å; I288-T291 WeakPolarHBondContact O-CB 3.41Å; I288-T291 PolarHBondContact O-N 3.44Å; I288-F292 HydrophobicContact CG1-CB 4.24Å; I288-F292 PolarHBondContact O-N 3.37Å
289	D	97.9	Very high	93.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	3.8	-169.3	62.5	-15	0	0	0	115.2	H287 T293 N345 H390 C391	H287-D289 WeakPolarHBondContact CB-OD1 3.35Å; D289-T293 VanDerWaalsContact O-CG2 3.31Å; D289-T293 WeakPolarHBondContact O-CG2 3.11Å; D289-N345 WeakPolarHBondContact CB-ND2 3.46Å; D289-N345 PolarHBondContact O-ND2 2.79Å; D289-N345 PolarHBondContact OD1-ND2 2.79Å; D289-N345 PolarHBondContact OD2-ND2 3.16Å; D289-H390 VanDerWaalsContact CB-ND1 3.27Å; D289-H390 WeakPolarHBondContact CB-ND1 3.4Å; D289-H390 IonicContact OD2-CE1 3.25Å; D289-H390 IonicContact OD2-CG 3.23Å; D289-H390 IonicContact OD2-ND1 2.92Å; D289-H390 PolarHBondContact OD2-ND1 3.28Å; D289-C391 PolarHBondContact OD2-SG 3.02Å
290	A	97.2	Very high	94.1	Very high	11 Å²	11	25.8 Å²	25.8	9%	0.091	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	15.8	163.4	0	0	0	0	0	112.6	I288 N303 R306 L342	I288-A290 PolarHBondContact O-N 2.85Å; I288-A290 VanDerWaalsContact O-N 3.14Å; A290-N303 PolarHBondContact O-ND2 2.91Å; A290-N303 VanDerWaalsContact O-ND2 3.16Å; A290-R306 PolarHBondContact O-NH1 2.91Å; A290-R306 VanDerWaalsContact O-NH1 3.08Å; A290-L342 HydrophobicContact CB-CD2 4.41Å
291	T	97.9	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-46.5	-177.7	-65.4	0	0	0	0	111	F280 I288 Q302 N303 R306	F280-T291 HydrophobicContact CB-CG2 4.08Å; F280-T291 HydrophobicContact CD1-CG2 3.48Å; F280-T291 VanDerWaalsContact CD1-CG2 3.48Å; F280-T291 HydrophobicContact CD2-CG2 3.89Å; F280-T291 HydrophobicContact CE1-CG2 3.8Å; F280-T291 HydrophobicContact CE2-CG2 4.19Å; F280-T291 HydrophobicContact CG-CG2 3.53Å; F280-T291 HydrophobicContact CZ-CG2 4.16Å; I288-T291 CarbonylContact O-C 3.3Å; I288-T291 WeakPolarHBondContact O-CA 3.47Å; I288-T291 WeakPolarHBondContact O-CB 3.41Å; I288-T291 PolarHBondContact O-N 3.44Å; T291-Q302 CarbonylContact O-C 3.53Å; T291-Q302 WeakPolarHBondContact O-CA 3.42Å; T291-N303 WeakPolarHBondContact O-CB 3.35Å; T291-N303 PolarHBondContact O-N 3.37Å; T291-R306 HydrophobicContact CG2-CB 3.81Å; T291-R306 VanDerWaalsContact OG1-CD 3.24Å; T291-R306 WeakPolarHBondContact OG1-CD 3.45Å; T291-R306 PolarHBondContact OG1-NH1 2.94Å
292	F	98.1	Very high	94.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	116.1	179.1	-167.3	-91.1	0	0	0	110	L278 F280 I288 L294 A300 V301 Q302 C308 I314 I321	L278-F292 HydrophobicContact CD1-CD1 4.13Å; L278-F292 HydrophobicContact CD1-CE1 4.32Å; F280-F292 HydrophobicContact CE1-CB 3.7Å; F280-F292 HydrophobicContact CE1-CD2 4.17Å; F280-F292 HydrophobicContact CE1-CG 4.18Å; F280-F292 HydrophobicContact CZ-CB 3.66Å; F280-F292 HydrophobicContact CZ-CG 4.24Å; I288-F292 HydrophobicContact CG1-CB 4.24Å; I288-F292 PolarHBondContact O-N 3.37Å; F292-L294 HydrophobicContact CD1-CD2 4.44Å; F292-L294 HydrophobicContact CE1-CD2 3.71Å; F292-A300 HydrophobicContact CE1-CB 3.94Å; F292-A300 HydrophobicContact CE2-CB 4.11Å; F292-A300 HydrophobicContact CZ-CB 3.51Å; F292-V301 WeakPolarHBondContact CA-O 3.19Å; F292-Q302 HydrophobicContact CD2-CB 3.93Å; F292-Q302 HydrophobicContact CE2-CB 4.39Å; F292-C308 HydrophobicContact CD2-CB 4.49Å; F292-I314 HydrophobicContact CE1-CD1 4.43Å; F292-I314 HydrophobicContact CE2-CD1 4.23Å; F292-I314 HydrophobicContact CZ-CD1 3.81Å; F292-I314 HydrophobicContact CZ-CG2 4.39Å; F292-I321 HydrophobicContact CE2-CD1 4.17Å; F292-I321 HydrophobicContact CE2-CG1 4.31Å; F292-I321 HydrophobicContact CE2-CG2 4.21Å; F292-I321 HydrophobicContact CZ-CD1 4.49Å; F292-I321 HydrophobicContact CZ-CG1 4.49Å
293	T	98	Very high	95.6	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.067	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.3	-179.8	60.7	0	0	0	0	111.3	D289 A300 V301 M344	D289-T293 VanDerWaalsContact O-CG2 3.31Å; D289-T293 WeakPolarHBondContact O-CG2 3.11Å; T293-A300 CarbonylContact O-C 3.52Å; T293-A300 VanDerWaalsContact O-CA 3.28Å; T293-A300 WeakPolarHBondContact O-CA 3.12Å; T293-A300 WeakPolarHBondContact O-CB 3.5Å; T293-V301 PolarHBondContact N-O 2.91Å; T293-V301 PolarHBondContact O-N 2.78Å; T293-M344 HydrophobicContact CG2-CE 4.22Å
294	L	98.2	Very high	96.5	Very high	5 Å²	5	17 Å²	17	3%	0.026	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.5	176.7	-58.7	173.5	0	0	0	108.6	W53 I242 A244 F249 F292 A300 W319	W53-L294 HydrophobicContact CE3-CB 4.16Å; W53-L294 HydrophobicContact CZ3-CB 3.66Å; W53-L294 HydrophobicContact CZ3-CD1 4.15Å; I242-L294 HydrophobicContact CD1-CB 4.28Å; I242-L294 HydrophobicContact CD1-CD1 4.49Å; I242-L294 HydrophobicContact CD1-CG 4.07Å; I242-L294 HydrophobicContact CG1-CD1 4.12Å; I242-L294 HydrophobicContact CG1-CG 4.24Å; I242-L294 HydrophobicContact CG2-CD1 4.14Å; I242-L294 HydrophobicContact CG2-CG 4.39Å; A244-L294 HydrophobicContact CB-CD1 3.81Å; F249-L294 HydrophobicContact CD2-CD1 4.23Å; F249-L294 HydrophobicContact CE2-CD1 4.48Å; F292-L294 HydrophobicContact CD1-CD2 4.44Å; F292-L294 HydrophobicContact CE1-CD2 3.71Å; L294-A300 HydrophobicContact CD2-CB 4.07Å; L294-W319 HydrophobicContact CB-CH2 4.37Å; L294-W319 HydrophobicContact CB-CZ3 4.25Å; L294-W319 HydrophobicContact CD2-CE3 4.04Å; L294-W319 HydrophobicContact CD2-CH2 3.89Å; L294-W319 HydrophobicContact CD2-CZ3 3.5Å; L294-W319 VanDerWaalsContact CD2-CZ3 3.5Å; L294-W319 HydrophobicContact CG-CZ3 4.44Å
295	V	98.3	Very high	97.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-51.2	-168	175.7	0	0	0	0	111.7	W53 I299 V301 M348 Y367 I372	W53-V295 WeakPolarHBondContact CB-O 3.33Å; V295-I299 HydrophobicContact CB-CG2 4.4Å; V295-I299 WeakPolarHBondContact CB-O 3.48Å; V295-I299 PolarHBondContact N-O 3.04Å; V295-V301 HydrophobicContact CG2-CB 4.35Å; V295-V301 HydrophobicContact CG2-CG2 3.61Å; V295-M348 HydrophobicContact CG1-CE 3.79Å; V295-M348 HydrophobicContact CG1-SD 3.89Å; V295-Y367 HydrophobicContact CB-CE1 4.5Å; V295-Y367 HydrophobicContact CG1-CD1 4.32Å; V295-Y367 HydrophobicContact CG1-CE1 3.75Å; V295-Y367 HydrophobicContact CG2-CE1 3.87Å; V295-I372 HydrophobicContact CG1-CD1 3.29Å
296	K	98	Very high	97.5	Very high	37 Å²	37	17.5 Å²	17.5	16%	0.161	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	168.8	177.1	64	179.1	172.2	-172.9	0	108.4	G298 I299 W319 Q351 M370 I372	K296-G298 PolarHBondContact O-N 3.18Å; K296-I299 HydrophobicContact CD-CD1 4.44Å; K296-I299 VanDerWaalsContact CE-CD1 3.41Å; K296-I299 HydrophobicContact CG-CB 4.17Å; K296-I299 HydrophobicContact CG-CD1 4.25Å; K296-I299 HydrophobicContact CG-CG1 4.26Å; K296-I299 PolarHBondContact N-O 2.69Å; K296-I299 PolarHBondContact O-N 3.23Å; K296-W319 WeakPolarHBondContact O-CH2 3.48Å; K296-W319 WeakPolarHBondContact O-CZ3 3.44Å; K296-Q351 HydrophobicContact CB-CB 4.11Å; K296-Q351 HydrophobicContact CB-CG 4.12Å; K296-Q351 HydrophobicContact CD-CB 4.46Å; K296-M370 PolarHBondContact NZ-O 2.96Å; K296-I372 HydrophobicContact CD-CD1 4.23Å
297	P	98.2	Very high	97.6	Very high	51 Å²	51	18.3 Å²	18.3	33%	0.331	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	118.9	-178.3	-28.8	38.1	0	0	0	111.9	W53 Y405	W53-P297 HydrophobicContact CZ2-CG 4.05Å; P297-Y405 HydrophobicContact CB-CD1 3.85Å; P297-Y405 HydrophobicContact CB-CE1 4.22Å; P297-Y405 HydrophobicContact CG-CD1 3.97Å; P297-Y405 HydrophobicContact CG-CE1 3.84Å
298	G	97.5	Very high	97.4	Very high	20 Å²	20	18.2 Å²	18.2	21%	0.206	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	4	179.2	0	0	0	0	0	116.1	K296 W319 Q320	K296-G298 PolarHBondContact O-N 3.18Å; G298-W319 WeakPolarHBondContact O-CA 3.49Å; G298-Q320 PolarHBondContact O-N 3.44Å
299	I	98.3	Very high	97.3	Very high	24 Å²	24	21.8 Å²	21.8	12%	0.123	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121	175.5	-53.7	-172.1	0	0	0	111.4	V295 K296 W319 Q320 M370	V295-I299 HydrophobicContact CB-CG2 4.4Å; V295-I299 WeakPolarHBondContact CB-O 3.48Å; V295-I299 PolarHBondContact N-O 3.04Å; K296-I299 HydrophobicContact CD-CD1 4.44Å; K296-I299 VanDerWaalsContact CE-CD1 3.41Å; K296-I299 HydrophobicContact CG-CB 4.17Å; K296-I299 HydrophobicContact CG-CD1 4.25Å; K296-I299 HydrophobicContact CG-CG1 4.26Å; K296-I299 PolarHBondContact N-O 2.69Å; K296-I299 PolarHBondContact O-N 3.23Å; I299-W319 VanDerWaalsContact C-CE3 3.47Å; I299-W319 VanDerWaalsContact C-CZ3 3.49Å; I299-W319 VanDerWaalsContact O-CZ3 3.25Å; I299-W319 WeakPolarHBondContact O-CZ3 3.49Å; I299-Q320 WeakPolarHBondContact CA-O 3.48Å; I299-M370 HydrophobicContact CG2-CE 4.35Å; I299-M370 HydrophobicContact CG2-SD 4.06Å
300	A	98.4	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.7	171.9	0	0	0	0	0	110.9	F292 T293 L294 W319 Q320 I321 V322	F292-A300 HydrophobicContact CE1-CB 3.94Å; F292-A300 HydrophobicContact CE2-CB 4.11Å; F292-A300 HydrophobicContact CZ-CB 3.51Å; T293-A300 CarbonylContact O-C 3.52Å; T293-A300 VanDerWaalsContact O-CA 3.28Å; T293-A300 WeakPolarHBondContact O-CA 3.12Å; T293-A300 WeakPolarHBondContact O-CB 3.5Å; L294-A300 HydrophobicContact CD2-CB 4.07Å; A300-W319 HydrophobicContact CB-CE3 3.91Å; A300-W319 HydrophobicContact CB-CZ3 4.31Å; A300-Q320 PolarHBondContact N-O 3.39Å; A300-I321 HydrophobicContact CB-CG1 4.35Å; A300-I321 WeakPolarHBondContact O-CA 3.26Å; A300-V322 PolarHBondContact O-N 2.75Å
301	V	98.5	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.9	172.3	173.6	0	0	0	0	108.6	F292 T293 V295 V322 A324 M344 M366 M370	F292-V301 WeakPolarHBondContact CA-O 3.19Å; T293-V301 PolarHBondContact N-O 2.91Å; T293-V301 PolarHBondContact O-N 2.78Å; V295-V301 HydrophobicContact CG2-CB 4.35Å; V295-V301 HydrophobicContact CG2-CG2 3.61Å; V301-V322 CarbonylContact C-O 3.59Å; V301-V322 VanDerWaalsContact CA-O 3.25Å; V301-V322 WeakPolarHBondContact CA-O 3.17Å; V301-A324 HydrophobicContact CG1-CB 3.81Å; V301-M344 HydrophobicContact CG1-CE 4.09Å; V301-M366 HydrophobicContact CB-CE 4.5Å; V301-M366 HydrophobicContact CG1-CE 4.06Å; V301-M366 HydrophobicContact CG1-SD 4.33Å; V301-M366 HydrophobicContact CG2-CE 3.59Å; V301-M366 HydrophobicContact CG2-SD 4.25Å; V301-M370 HydrophobicContact CG2-CE 4.25Å
302	Q	98	Very high	96.9	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.1	174.7	76	176.7	-3.4	0	0	111.6	T291 F292 I321 V322 N323 A324	T291-Q302 CarbonylContact O-C 3.53Å; T291-Q302 WeakPolarHBondContact O-CA 3.42Å; F292-Q302 HydrophobicContact CD2-CB 3.93Å; F292-Q302 HydrophobicContact CE2-CB 4.39Å; Q302-I321 HydrophobicContact CB-CG2 3.82Å; Q302-I321 HydrophobicContact CG-CG2 3.62Å; Q302-V322 PolarHBondContact N-O 3.15Å; Q302-N323 WeakPolarHBondContact CG-OD1 3.39Å; Q302-N323 PolarHBondContact NE2-OD1 2.92Å; Q302-N323 WeakPolarHBondContact O-CA 3.48Å; Q302-A324 PolarHBondContact O-N 3.5Å
303	N	97.9	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.			trans	-73.3	120.2	169	-174.8	-34.8	0	0	0	109.1	A290 T291 D305 R306 W341 M344	A290-N303 PolarHBondContact O-ND2 2.91Å; A290-N303 VanDerWaalsContact O-ND2 3.16Å; T291-N303 WeakPolarHBondContact O-CB 3.35Å; T291-N303 PolarHBondContact O-N 3.37Å; N303-D305 PolarHBondContact O-N 3.2Å; N303-D305 WeakPolarHBondContact OD1-CB 3.47Å; N303-D305 PolarHBondContact OD1-N 3.07Å; N303-R306 HydrophobicContact CB-CB 4.12Å; N303-R306 HydrophobicContact CB-CG 4.45Å; N303-R306 CarbonylContact O-C 3.48Å; N303-R306 VanDerWaalsContact O-C 3.3Å; N303-R306 PolarHBondContact O-N 3.37Å; N303-W341 VanDerWaalsContact ND2-CD1 3.26Å; N303-W341 VanDerWaalsContact OD1-CE2 3.23Å; N303-W341 WeakPolarHBondContact OD1-CZ2 3.34Å; N303-M344 HydrophobicContact CB-CE 4.35Å; N303-M344 HydrophobicContact CB-SD 3.63Å
304	P	97	Very high	96.7	Very high	34 Å²	34	31.1 Å²	31.1	22%	0.221	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	-178.7	28	-36.4	0	0	0	113.7	R306 N323 A324 W341	P304-R306 VanDerWaalsContact C-N 3.28Å; P304-N323 HydrophobicContact CB-CB 4.24Å; P304-A324 WeakPolarHBondContact CD-O 3.24Å; P304-A324 WeakPolarHBondContact CG-O 3.19Å; P304-W341 HydrophobicContact CG-CH2 3.34Å; P304-W341 HydrophobicContact CG-CZ2 3.84Å; P304-W341 HydrophobicContact CG-CZ3 4.18Å
305	D	95.8	Very high	96.6	Very high	80 Å²	80	37.3 Å²	37.3	43%	0.428	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.9	175.6	-66.1	-17.8	0	0	0	112.3	N303 P307 W341	N303-D305 PolarHBondContact O-N 3.2Å; N303-D305 WeakPolarHBondContact OD1-CB 3.47Å; N303-D305 PolarHBondContact OD1-N 3.07Å; D305-P307 VanDerWaalsContact C-CD 3.46Å; D305-W341 HydrophobicContact CB-CZ2 4.34Å; D305-W341 VanDerWaalsContact OD2-CZ2 3.27Å; D305-W341 WeakPolarHBondContact OD2-CZ2 3.41Å; D305-W341 PolarHBondContact OD2-NE1 2.88Å
306	R	95.2	Very high	96.5	Very high	33 Å²	33	43.1 Å²	43.1	13%	0.125	22%	0.216	C	C	.	.	S	Bend	trans	-131.5	60.5	-175	-53.5	169.9	-177.7	167.6	-6.6	110.9	F280 V281 D282 A290 T291 N303 P304	F280-R306 HydrophobicContact CB-CB 4.5Å; F280-R306 WeakPolarHBondContact CD1-O 3.2Å; V281-R306 WeakPolarHBondContact O-CA 3.34Å; D282-R306 HydrophobicContact CB-CB 4.49Å; D282-R306 HydrophobicContact CB-CG 4.13Å; D282-R306 IonicContact OD1-NE 3.69Å; D282-R306 WeakPolarHBondContact OD2-CD 3.45Å; D282-R306 IonicContact OD2-CZ 3.78Å; D282-R306 IonicContact OD2-NE 2.61Å; D282-R306 PolarHBondContact OD2-NE 3.34Å; D282-R306 IonicContact OD2-NH1 3.83Å; A290-R306 PolarHBondContact O-NH1 2.91Å; A290-R306 VanDerWaalsContact O-NH1 3.08Å; T291-R306 HydrophobicContact CG2-CB 3.81Å; T291-R306 VanDerWaalsContact OG1-CD 3.24Å; T291-R306 WeakPolarHBondContact OG1-CD 3.45Å; T291-R306 PolarHBondContact OG1-NH1 2.94Å; N303-R306 HydrophobicContact CB-CB 4.12Å; N303-R306 HydrophobicContact CB-CG 4.45Å; N303-R306 CarbonylContact O-C 3.48Å; N303-R306 VanDerWaalsContact O-C 3.3Å; N303-R306 PolarHBondContact O-N 3.37Å; P304-R306 VanDerWaalsContact C-N 3.28Å
307	P	95.2	Very high	96.4	Very high	52 Å²	52	41.5 Å²	41.5	34%	0.338	21%	0.21	S	C	.	.			trans	-58.3	141.1	-177.3	25.1	-36	0	0	0	111.9	F280 V281 D305	F280-P307 WeakPolarHBondContact CA-O 3.33Å; V281-P307 HydrophobicContact CB-CG 4.26Å; V281-P307 HydrophobicContact CG2-CG 4.06Å; V281-P307 PolarHBondContact N-O 3.22Å; D305-P307 VanDerWaalsContact C-CD 3.46Å
308	C	95.1	Very high	96.3	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.047	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-74.4	129.5	175.2	-172.9	0	0	0	0	110.9	F280 F292 Q310 F311	F280-C308 HydrophobicContact CD1-CB 3.81Å; F280-C308 HydrophobicContact CE1-CB 3.55Å; F292-C308 HydrophobicContact CD2-CB 4.49Å; C308-Q310 VanDerWaalsContact C-N 3.28Å; C308-Q310 PolarHBondContact O-N 3.4Å; C308-Q310 PolarHBondContact SG-N 3.1Å; C308-F311 VanDerWaalsContact O-CB 3.26Å; C308-F311 WeakPolarHBondContact O-CB 3.24Å; C308-F311 PolarHBondContact O-N 3.32Å
309	H	94.2	Very high	96.3	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.347	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.6	175.9	-58.8	138.6	0	0	0	112.3	E220 S279 V281 F311	E220-H309 WeakPolarHBondContact OE2-CB 3.34Å; E220-H309 IonicContact OE2-CG 3.3Å; E220-H309 IonicContact OE2-ND1 3.64Å; S279-H309 PolarHBondContact O-N 3.34Å; S279-H309 PolarHBondContact OG-ND1 3.29Å; V281-H309 WeakPolarHBondContact CG2-NE2 3.4Å; H309-F311 VanDerWaalsContact C-N 3.26Å; H309-F311 PolarHBondContact O-N 3.47Å
310	Q	94.3	Very high	96.3	Very high	20 Å²	20	45.4 Å²	45.4	9%	0.093	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	17.2	176.9	-63.4	72.9	42.5	0	0	113.3	L278 S279 C308 D312 I313 I314 I413	L278-Q310 VanDerWaalsContact CA-OE1 3.32Å; L278-Q310 HydrophobicContact CD2-CB 4.01Å; L278-Q310 HydrophobicContact CD2-CG 4.4Å; S279-Q310 PolarHBondContact OG-NE2 3.06Å; S279-Q310 VanDerWaalsContact OG-NE2 3.15Å; C308-Q310 VanDerWaalsContact C-N 3.28Å; C308-Q310 PolarHBondContact O-N 3.4Å; C308-Q310 PolarHBondContact SG-N 3.1Å; Q310-D312 VanDerWaalsContact C-N 3.32Å; Q310-D312 PolarHBondContact O-N 2.98Å; Q310-I313 HydrophobicContact CB-CB 4.49Å; Q310-I313 HydrophobicContact CB-CD1 4.36Å; Q310-I313 HydrophobicContact CG-CD1 4.26Å; Q310-I313 PolarHBondContact O-N 3.29Å; Q310-I314 PolarHBondContact O-N 2.92Å; Q310-I413 HydrophobicContact CB-CG1 4.44Å; Q310-I413 HydrophobicContact CG-CG1 4.39Å; Q310-I413 HydrophobicContact CG-CG2 4.31Å
311	F	94.8	Very high	96.2	Very high	53 Å²	53	46 Å²	46	23%	0.232	24%	0.237	C	C	.	.	H	α-helix	trans	-47.3	-49.6	-179.3	177.9	-89.7	0	0	0	113.2	C308 H309 I313 I314 R315 I321	C308-F311 VanDerWaalsContact O-CB 3.26Å; C308-F311 WeakPolarHBondContact O-CB 3.24Å; C308-F311 PolarHBondContact O-N 3.32Å; H309-F311 VanDerWaalsContact C-N 3.26Å; H309-F311 PolarHBondContact O-N 3.47Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3Å; F311-I314 PolarHBondContact O-N 3.11Å; F311-R315 HydrophobicContact CD1-CG 4.39Å; F311-R315 HydrophobicContact CE1-CG 4.17Å; F311-R315 HydrophobicContact CZ-CG 4.42Å; F311-R315 WeakPolarHBondContact O-CG 3.43Å; F311-R315 PolarHBondContact O-N 3.29Å; F311-I321 HydrophobicContact CB-CD1 4.44Å; F311-I321 HydrophobicContact CD2-CB 4.09Å; F311-I321 HydrophobicContact CD2-CD1 3.39Å; F311-I321 HydrophobicContact CD2-CG1 4.34Å; F311-I321 HydrophobicContact CD2-CG2 4.03Å; F311-I321 HydrophobicContact CE2-CB 3.63Å; F311-I321 HydrophobicContact CE2-CD1 3.79Å; F311-I321 HydrophobicContact CE2-CG1 4.29Å; F311-I321 HydrophobicContact CE2-CG2 3.74Å; F311-I321 HydrophobicContact CG-CD1 3.98Å; F311-I321 HydrophobicContact CZ-CB 4.46Å
312	D	95.2	Very high	96.2	Very high	106 Å²	106	47.6 Å²	47.6	57%	0.567	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-32.8	-178	-75.2	-26.2	0	0	0	113.1	Q310 K316	Q310-D312 VanDerWaalsContact C-N 3.32Å; Q310-D312 PolarHBondContact O-N 2.98Å; D312-K316 WeakPolarHBondContact O-CB 3.45Å; D312-K316 VanDerWaalsContact O-CG 3.25Å; D312-K316 WeakPolarHBondContact O-CG 3.4Å; D312-K316 PolarHBondContact O-N 3.09Å
313	I	95.6	Very high	96.2	Very high	43 Å²	43	51.1 Å²	51.1	22%	0.221	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-46.9	177.3	-61.1	173.3	0	0	0	109.2	Q310 F311 R315 K316 A317 W408 I413	Q310-I313 HydrophobicContact CB-CB 4.49Å; Q310-I313 HydrophobicContact CB-CD1 4.36Å; Q310-I313 HydrophobicContact CG-CD1 4.26Å; Q310-I313 PolarHBondContact O-N 3.29Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3Å; I313-R315 VanDerWaalsContact C-N 3.32Å; I313-R315 PolarHBondContact O-N 3.28Å; I313-K316 PolarHBondContact O-N 3.06Å; I313-A317 PolarHBondContact O-N 3.37Å; I313-W408 HydrophobicContact CG2-CZ3 4.09Å; I313-I413 HydrophobicContact CG2-CG1 3.86Å
314	I	96.5	Very high	96.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-41.9	177.5	-65.9	169.6	0	0	0	110.8	L278 F292 Q310 F311 A317 W319 I321 F406	L278-I314 HydrophobicContact CD1-CD1 4.21Å; L278-I314 HydrophobicContact CD2-CD1 3.94Å; F292-I314 HydrophobicContact CE1-CD1 4.43Å; F292-I314 HydrophobicContact CE2-CD1 4.23Å; F292-I314 HydrophobicContact CZ-CD1 3.81Å; F292-I314 HydrophobicContact CZ-CG2 4.39Å; Q310-I314 PolarHBondContact O-N 2.92Å; F311-I314 PolarHBondContact O-N 3.11Å; I314-A317 WeakPolarHBondContact O-CB 3.42Å; I314-A317 PolarHBondContact O-N 2.65Å; I314-W319 HydrophobicContact CG2-CB 3.72Å; I314-W319 HydrophobicContact CG2-CG 4.32Å; I314-W319 PolarHBondContact O-N 3.31Å; I314-I321 HydrophobicContact CB-CD1 3.98Å; I314-I321 HydrophobicContact CG2-CD1 3.74Å; I314-I321 HydrophobicContact CG2-CG1 4.09Å; I314-F406 HydrophobicContact CG2-CE1 4.36Å
315	R	96.3	Very high	96.3	Very high	135 Å²	135	51.5 Å²	51.5	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.6	-73.6	-170.3	68.2	142.9	2.7	113.2	F311 I313 A317 G318 W319 I321	F311-R315 HydrophobicContact CD1-CG 4.39Å; F311-R315 HydrophobicContact CE1-CG 4.17Å; F311-R315 HydrophobicContact CZ-CG 4.42Å; F311-R315 WeakPolarHBondContact O-CG 3.43Å; F311-R315 PolarHBondContact O-N 3.29Å; I313-R315 VanDerWaalsContact C-N 3.32Å; I313-R315 PolarHBondContact O-N 3.28Å; R315-A317 PolarHBondContact O-N 3.22Å; R315-G318 PolarHBondContact O-N 2.95Å; R315-G318 VanDerWaalsContact O-N 3.08Å; R315-W319 WeakPolarHBondContact CA-O 3.18Å; R315-I321 HydrophobicContact CG-CD1 4.18Å; R315-I321 HydrophobicContact CG-CG1 4.48Å
316	K	96.5	Very high	96.4	Very high	122 Å²	122	54.9 Å²	54.9	53%	0.53	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-28	175.6	-74.9	170.4	-175.6	174	0	112.2	D312 I313 G318 K410	D312-K316 WeakPolarHBondContact O-CB 3.45Å; D312-K316 VanDerWaalsContact O-CG 3.25Å; D312-K316 WeakPolarHBondContact O-CG 3.4Å; D312-K316 PolarHBondContact O-N 3.09Å; I313-K316 PolarHBondContact O-N 3.06Å; K316-G318 PolarHBondContact O-N 3.06Å; K316-K410 HydrophobicContact CB-CB 4.29Å
317	A	96.4	Very high	96.5	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.025	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	8.3	174.7	0	0	0	0	0	114.6	I313 I314 R315 F406 D407 W408	I313-A317 PolarHBondContact O-N 3.37Å; I314-A317 WeakPolarHBondContact O-CB 3.42Å; I314-A317 PolarHBondContact O-N 2.65Å; R315-A317 PolarHBondContact O-N 3.22Å; A317-F406 HydrophobicContact CB-CB 4.26Å; A317-F406 HydrophobicContact CB-CD1 3.87Å; A317-D407 WeakPolarHBondContact CA-O 3.32Å; A317-D407 PolarHBondContact O-N 3.26Å; A317-D407 VanDerWaalsContact O-N 3.14Å; A317-W408 HydrophobicContact CB-CE3 3.88Å; A317-W408 HydrophobicContact CB-CH2 4.36Å; A317-W408 HydrophobicContact CB-CZ3 3.74Å
318	G	95.9	Very high	96.7	Very high	59 Å²	59	56.6 Å²	56.6	61%	0.608	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.8	10.5	169.6	0	0	0	0	0	115.5	R315 K316	R315-G318 PolarHBondContact O-N 2.95Å; R315-G318 VanDerWaalsContact O-N 3.08Å; K316-G318 PolarHBondContact O-N 3.06Å
319	W	97.4	Very high	96.7	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.023	29%	0.288	C	S	.	.			trans	-103.5	133.8	-176.8	-75.2	65	0	0	0	112.9	W53 L294 K296 G298 I299 A300 I314 R315 Y405 F406	W53-W319 AromaticContact CH2-CH2 3.76Å; W53-W319 HydrophobicContact CH2-CH2 3.76Å; W53-W319 HydrophobicContact CH2-CZ2 4.21Å; W53-W319 HydrophobicContact CZ3-CH2 4.02Å; L294-W319 HydrophobicContact CB-CH2 4.37Å; L294-W319 HydrophobicContact CB-CZ3 4.25Å; L294-W319 HydrophobicContact CD2-CE3 4.04Å; L294-W319 HydrophobicContact CD2-CH2 3.89Å; L294-W319 HydrophobicContact CD2-CZ3 3.5Å; L294-W319 VanDerWaalsContact CD2-CZ3 3.5Å; L294-W319 HydrophobicContact CG-CZ3 4.44Å; K296-W319 WeakPolarHBondContact O-CH2 3.48Å; K296-W319 WeakPolarHBondContact O-CZ3 3.44Å; G298-W319 WeakPolarHBondContact O-CA 3.49Å; I299-W319 VanDerWaalsContact C-CE3 3.47Å; I299-W319 VanDerWaalsContact C-CZ3 3.49Å; I299-W319 VanDerWaalsContact O-CZ3 3.25Å; I299-W319 WeakPolarHBondContact O-CZ3 3.49Å; A300-W319 HydrophobicContact CB-CE3 3.91Å; A300-W319 HydrophobicContact CB-CZ3 4.31Å; I314-W319 HydrophobicContact CG2-CB 3.72Å; I314-W319 HydrophobicContact CG2-CG 4.32Å; I314-W319 PolarHBondContact O-N 3.31Å; R315-W319 WeakPolarHBondContact CA-O 3.18Å; W319-Y405 PolarHBondContact NE1-O 2.61Å; W319-F406 AromaticContact CD1-CD1 3.56Å; W319-F406 AromaticContact CD1-CE1 3.35Å; W319-F406 AromaticContact CD1-CZ 3.88Å; W319-F406 AromaticContact CD2-CE1 3.93Å; W319-F406 HydrophobicContact CD2-CE1 3.93Å; W319-F406 AromaticContact CD2-CZ 3.81Å; W319-F406 HydrophobicContact CD2-CZ 3.81Å; W319-F406 AromaticContact CE2-CE1 3.63Å; W319-F406 AromaticContact CE2-CE2 3.67Å; W319-F406 AromaticContact CE2-CZ 3.26Å; W319-F406 HydrophobicContact CG-CD1 4.39Å; W319-F406 AromaticContact CG-CE1 3.78Å; W319-F406 HydrophobicContact CG-CE1 3.78Å; W319-F406 HydrophobicContact CG-CZ 4.18Å; W319-F406 HydrophobicContact CH2-CZ 4.3Å; W319-F406 HydrophobicContact CZ2-CD2 4.47Å; W319-F406 HydrophobicContact CZ2-CE1 4.36Å; W319-F406 AromaticContact CZ2-CE2 3.62Å; W319-F406 HydrophobicContact CZ2-CE2 3.62Å; W319-F406 AromaticContact CZ2-CZ 3.55Å; W319-F406 HydrophobicContact CZ2-CZ 3.55Å; W319-F406 AromaticContact NE1-CD1 3.49Å; W319-F406 AromaticContact NE1-CD2 3.87Å; W319-F406 AromaticContact NE1-CE1 3.26Å; W319-F406 VanDerWaalsContact NE1-CE1 3.26Å; W319-F406 AromaticContact NE1-CE2 3.63Å; W319-F406 AromaticContact NE1-CG 3.78Å; W319-F406 AromaticContact NE1-CZ 3.32Å; W319-F406 VanDerWaalsContact NE1-CZ 3.32Å
320	Q	97.4	Very high	96.7	Very high	113 Å²	113	60.8 Å²	60.8	53%	0.528	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128	163.5	-177.9	179.3	-7.3	0	0	109	G298 I299 A300 V322	G298-Q320 PolarHBondContact O-N 3.44Å; I299-Q320 WeakPolarHBondContact CA-O 3.48Å; A300-Q320 PolarHBondContact N-O 3.39Å; Q320-V322 HydrophobicContact CG-CG2 4.04Å
321	I	97.8	Very high	96.5	Very high	13 Å²	13	69.7 Å²	69.7	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.8	174.1	-57.9	169.4	0	0	0	108	F292 A300 Q302 F311 I314 R315	F292-I321 HydrophobicContact CE2-CD1 4.17Å; F292-I321 HydrophobicContact CE2-CG1 4.31Å; F292-I321 HydrophobicContact CE2-CG2 4.21Å; F292-I321 HydrophobicContact CZ-CD1 4.49Å; F292-I321 HydrophobicContact CZ-CG1 4.49Å; A300-I321 HydrophobicContact CB-CG1 4.35Å; A300-I321 WeakPolarHBondContact O-CA 3.26Å; Q302-I321 HydrophobicContact CB-CG2 3.82Å; Q302-I321 HydrophobicContact CG-CG2 3.62Å; F311-I321 HydrophobicContact CB-CD1 4.44Å; F311-I321 HydrophobicContact CD2-CB 4.09Å; F311-I321 HydrophobicContact CD2-CD1 3.39Å; F311-I321 HydrophobicContact CD2-CG1 4.34Å; F311-I321 HydrophobicContact CD2-CG2 4.03Å; F311-I321 HydrophobicContact CE2-CB 3.63Å; F311-I321 HydrophobicContact CE2-CD1 3.79Å; F311-I321 HydrophobicContact CE2-CG1 4.29Å; F311-I321 HydrophobicContact CE2-CG2 3.74Å; F311-I321 HydrophobicContact CG-CD1 3.98Å; F311-I321 HydrophobicContact CZ-CB 4.46Å; I314-I321 HydrophobicContact CB-CD1 3.98Å; I314-I321 HydrophobicContact CG2-CD1 3.74Å; I314-I321 HydrophobicContact CG2-CG1 4.09Å; R315-I321 HydrophobicContact CG-CD1 4.18Å; R315-I321 HydrophobicContact CG-CG1 4.48Å
322	V	97.8	Very high	96.3	Very high	32 Å²	32	73 Å²	73	19%	0.194	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.2	179.3	-179.6	0	0	0	0	109.8	A300 V301 Q302 Q320 M366 M370	A300-V322 PolarHBondContact O-N 2.75Å; V301-V322 CarbonylContact C-O 3.59Å; V301-V322 VanDerWaalsContact CA-O 3.25Å; V301-V322 WeakPolarHBondContact CA-O 3.17Å; Q302-V322 PolarHBondContact N-O 3.15Å; Q320-V322 HydrophobicContact CG-CG2 4.04Å; V322-M366 HydrophobicContact CG1-CG 4.22Å; V322-M366 HydrophobicContact CG1-SD 4Å; V322-M370 HydrophobicContact CB-CE 3.62Å; V322-M370 HydrophobicContact CG1-CE 3.61Å; V322-M370 HydrophobicContact CG2-CE 3.67Å
323	N	98.2	Very high	96.3	Very high	86 Å²	86	69.4 Å²	69.4	46%	0.46	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.2	174.1	-72.5	-13.4	0	0	0	110	Q302 P304	Q302-N323 WeakPolarHBondContact CG-OD1 3.39Å; Q302-N323 PolarHBondContact NE2-OD1 2.92Å; Q302-N323 WeakPolarHBondContact O-CA 3.48Å; P304-N323 HydrophobicContact CB-CB 4.24Å
324	A	98.5	Very high	96.3	Very high	4 Å²	4	70.9 Å²	70.9	3%	0.033	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.5	140.8	168.5	0	0	0	0	0	110.1	V301 Q302 P304 W341 M344 I363	V301-A324 HydrophobicContact CG1-CB 3.81Å; Q302-A324 PolarHBondContact O-N 3.5Å; P304-A324 WeakPolarHBondContact CD-O 3.24Å; P304-A324 WeakPolarHBondContact CG-O 3.19Å; A324-W341 HydrophobicContact CB-CZ3 3.97Å; A324-M344 HydrophobicContact CB-CB 4.11Å; A324-M344 HydrophobicContact CB-SD 3.9Å; A324-I363 HydrophobicContact CB-CD1 4.2Å
325	P	98.3	Very high	96.2	Very high	38 Å²	38	71.6 Å²	71.6	25%	0.247	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.4	153.4	168.3	28.6	-31.1	0	0	0	110.3	W341 G362 I363 M366	P325-W341 WeakPolarHBondContact O-CZ3 3.32Å; P325-G362 WeakPolarHBondContact CG-O 3.4Å; P325-I363 HydrophobicContact CG-CB 4.25Å; P325-I363 HydrophobicContact CG-CD1 4.14Å; P325-M366 HydrophobicContact CG-CB 4.48Å
326	Y	98.1	Very high	96.2	Very high	151 Å²	151	65.8 Å²	65.8	59%	0.592	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-61.6	139.5	177.9	-74.5	-79.7	0	0	0	111.6	W341	Y326-W341 AromaticContact CD1-CH2 3.72Å; Y326-W341 HydrophobicContact CD1-CH2 3.72Å; Y326-W341 AromaticContact CD1-CZ2 3.64Å; Y326-W341 HydrophobicContact CD1-CZ2 3.64Å; Y326-W341 HydrophobicContact CE1-CH2 4.11Å; Y326-W341 AromaticContact CE1-CZ2 3.8Å; Y326-W341 HydrophobicContact CE1-CZ2 3.8Å; Y326-W341 HydrophobicContact CG-CH2 4.28Å
327	P	97.8	Very high	96.1	Very high	27 Å²	27	60.1 Å²	60.1	18%	0.175	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-59.7	140.6	178	-19.6	29.3	0	0	0	112.5	N340 W341 S343 E360	P327-N340 HydrophobicContact CB-CB 3.75Å; P327-N340 WeakPolarHBondContact CB-O 3.26Å; P327-N340 VanDerWaalsContact CG-C 3.42Å; P327-N340 HydrophobicContact CG-CB 3.93Å; P327-N340 WeakPolarHBondContact CG-O 3.33Å; P327-W341 HydrophobicContact CG-CD2 3.99Å; P327-W341 HydrophobicContact CG-CE3 3.87Å; P327-W341 HydrophobicContact CG-CG 4.45Å; P327-W341 HydrophobicContact CG-CZ3 4.22Å; P327-S343 WeakPolarHBondContact CG-OG 3.47Å; P327-E360 WeakPolarHBondContact CA-OE2 3.17Å
328	L	97.7	Very high	95.9	Very high	95 Å²	95	61.6 Å²	61.6	50%	0.497	32%	0.32	S	S	.	.			trans	-90.1	-16.2	176.4	-62.3	-178.6	0	0	0	112.8	K330 E360 T361	L328-K330 PolarHBondContact O-N 3.16Å; L328-E360 PolarHBondContact N-OE1 3.3Å; L328-E360 PolarHBondContact N-OE2 3.48Å; L328-T361 WeakPolarHBondContact CD1-OG1 3.31Å
329	M	95.4	Very high	95.7	Very high	19 Å²	19	60 Å²	60	9%	0.094	30%	0.299	C	S	.	.	S	Bend	trans	-49.7	125.4	175.5	-173.1	176.3	-60	0	0	111.3	H333 M335 N340 E360 K380	M329-H333 HydrophobicContact CG-CB 3.96Å; M329-H333 HydrophobicContact SD-CB 4.24Å; M329-H333 PolarHBondContact SD-CD2 3.21Å; M329-M335 HydrophobicContact SD-CG 4.29Å; M329-M335 HydrophobicContact SD-SD 4.06Å; M329-N340 PolarHBondContact O-ND2 3.08Å; M329-E360 WeakPolarHBondContact CB-OE1 3.49Å; M329-E360 PolarHBondContact N-OE1 3.02Å; M329-K380 HydrophobicContact CE-CB 3.7Å
330	K	94.2	Very high	95.6	Very high	151 Å²	151	61.8 Å²	61.8	66%	0.657	31%	0.309	S	S	*	.			trans	-62.7	146.3	-179.1	-61.8	-178.3	177.5	-179.6	0	111	L328 D332 H333	L328-K330 PolarHBondContact O-N 3.16Å; K330-D332 WeakPolarHBondContact CB-OD1 3.44Å; K330-D332 PolarHBondContact O-N 3.14Å; K330-H333 WeakPolarHBondContact O-CB 3.39Å; K330-H333 PolarHBondContact O-N 3.35Å; K330-H333 VanDerWaalsContact O-N 3.16Å
331	K	89.7	Confident	95.6	Very high	207 Å²	207	57.3 Å²	57.3	90%	0.9	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.4	-178.7	-67.1	-174.7	177.9	-178.9	0	114.1
332	D	91.8	Very high	95.5	Very high	123 Å²	123	57.2 Å²	57.2	66%	0.658	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.7	177.1	62.8	-14.7	0	0	0	113.1	K330 E334	K330-D332 WeakPolarHBondContact CB-OD1 3.44Å; K330-D332 PolarHBondContact O-N 3.14Å; D332-E334 PolarHBondContact O-N 3.21Å
333	H	95.5	Very high	95.5	Very high	30 Å²	30	55.9 Å²	55.9	14%	0.139	28%	0.279	C	S	.	.	S	Bend	trans	-66.7	131.5	172.1	-174.5	80	0	0	0	110.2	M329 K330 M335 K380 S384	M329-H333 HydrophobicContact CG-CB 3.96Å; M329-H333 HydrophobicContact SD-CB 4.24Å; M329-H333 PolarHBondContact SD-CD2 3.21Å; K330-H333 WeakPolarHBondContact O-CB 3.39Å; K330-H333 PolarHBondContact O-N 3.35Å; K330-H333 VanDerWaalsContact O-N 3.16Å; H333-M335 PolarHBondContact O-N 2.95Å; H333-K380 PolarHBondContact CE1-O 3.03Å; H333-K380 PolarHBondContact NE2-O 2.92Å; H333-S384 PolarHBondContact NE2-OG 3.28Å; H333-S384 VanDerWaalsContact NE2-OG 3.15Å
334	E	95.2	Very high	95.5	Very high	73 Å²	73	51.8 Å²	51.8	34%	0.341	26%	0.257	S	S	.	.			trans	-70.6	120.1	-177	-76	-64	160.5	0	0	111.6	K84 D332 W336 S384	K84-E334 IonicContact NZ-OE1 3.9Å; K84-E334 IonicContact NZ-OE2 2.94Å; K84-E334 PolarHBondContact NZ-OE2 2.81Å; D332-E334 PolarHBondContact O-N 3.21Å; E334-W336 HydrophobicContact CB-CH2 4.04Å; E334-W336 HydrophobicContact CB-CZ2 3.82Å; E334-W336 HydrophobicContact CG-CZ2 4.21Å; E334-S384 WeakPolarHBondContact O-CB 3.29Å; E334-S384 PolarHBondContact O-OG 3.04Å
335	M	95.2	Very high	95.5	Very high	17 Å²	17	51.6 Å²	51.6	8%	0.084	26%	0.256	C	S	.	.			trans	-127.3	97.2	174.7	-70.9	-61.7	-64.2	0	0	108.1	K84 M329 H333 L337 L342 N383	K84-M335 VanDerWaalsContact CE-O 3.24Å; K84-M335 WeakPolarHBondContact CE-O 3.26Å; M329-M335 HydrophobicContact SD-CG 4.29Å; M329-M335 HydrophobicContact SD-SD 4.06Å; H333-M335 PolarHBondContact O-N 2.95Å; M335-L337 WeakPolarHBondContact CE-O 3.42Å; M335-L342 HydrophobicContact CE-CD1 3.56Å; M335-L342 HydrophobicContact CE-CG 4.47Å; M335-N383 HydrophobicContact CE-CB 4.19Å; M335-N383 WeakPolarHBondContact CE-O 3.2Å; M335-N383 HydrophobicContact SD-CB 4.11Å
336	W	95.9	Very high	95.6	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.045	25%	0.247	C	C	.	.	S	Bend	trans	-79.6	-33.1	-179.1	-61.2	-76.3	0	0	0	112	F87 Y88 W96 I100 H104 E334 S384 I385	F87-W336 AromaticContact CD1-CD1 3.7Å; F87-W336 HydrophobicContact CD1-CG 4.36Å; F87-W336 AromaticContact CD2-CD1 3.9Å; F87-W336 AromaticContact CD2-NE1 3.78Å; F87-W336 AromaticContact CE1-CD1 3.77Å; F87-W336 HydrophobicContact CE1-CG 4.13Å; F87-W336 AromaticContact CE2-CD1 3.95Å; F87-W336 AromaticContact CE2-NE1 3.67Å; F87-W336 AromaticContact CG-CD1 3.77Å; F87-W336 AromaticContact CZ-CD1 3.89Å; F87-W336 HydrophobicContact CZ-CG 4.34Å; F87-W336 AromaticContact CZ-NE1 3.93Å; Y88-W336 WeakPolarHBondContact CE2-O 3.39Å; Y88-W336 VanDerWaalsContact OH-C 3.27Å; Y88-W336 PolarHBondContact OH-O 3.13Å; W96-W336 HydrophobicContact CE3-CD2 4.41Å; W96-W336 HydrophobicContact CE3-CE3 4.15Å; W96-W336 HydrophobicContact CH2-CB 3.48Å; W96-W336 VanDerWaalsContact CH2-CB 3.48Å; W96-W336 HydrophobicContact CH2-CD2 4.33Å; W96-W336 HydrophobicContact CH2-CE3 4.46Å; W96-W336 AromaticContact CH2-CG 3.93Å; W96-W336 HydrophobicContact CH2-CG 3.93Å; W96-W336 HydrophobicContact CZ3-CB 3.65Å; W96-W336 AromaticContact CZ3-CD2 3.54Å; W96-W336 HydrophobicContact CZ3-CD2 3.54Å; W96-W336 AromaticContact CZ3-CE3 3.6Å; W96-W336 HydrophobicContact CZ3-CE3 3.6Å; W96-W336 AromaticContact CZ3-CG 3.55Å; W96-W336 HydrophobicContact CZ3-CG 3.55Å; W96-W336 HydrophobicContact CZ3-CZ3 4.5Å; I100-W336 HydrophobicContact CB-CH2 3.53Å; I100-W336 HydrophobicContact CB-CZ2 3.69Å; I100-W336 HydrophobicContact CB-CZ3 4.27Å; I100-W336 HydrophobicContact CD1-CH2 3.7Å; I100-W336 HydrophobicContact CD1-CZ3 3.77Å; I100-W336 HydrophobicContact CG1-CH2 4.17Å; I100-W336 HydrophobicContact CG2-CD2 4.3Å; I100-W336 HydrophobicContact CG2-CE3 4.26Å; I100-W336 HydrophobicContact CG2-CH2 3.46Å; I100-W336 VanDerWaalsContact CG2-CH2 3.46Å; I100-W336 HydrophobicContact CG2-CZ2 3.42Å; I100-W336 VanDerWaalsContact CG2-CZ2 3.42Å; I100-W336 HydrophobicContact CG2-CZ3 3.86Å; H104-W336 AromaticContact CD2-CH2 3.78Å; H104-W336 AromaticContact CD2-CZ3 3.87Å; H104-W336 AromaticContact CE1-CH2 3.84Å; H104-W336 AromaticContact CG-CH2 3.98Å; H104-W336 AromaticContact NE2-CH2 3.7Å; H104-W336 AromaticContact NE2-CZ3 3.6Å; E334-W336 HydrophobicContact CB-CH2 4.04Å; E334-W336 HydrophobicContact CB-CZ2 3.82Å; E334-W336 HydrophobicContact CG-CZ2 4.21Å; W336-S384 VanDerWaalsContact CZ3-CB 3.48Å; W336-S384 PolarHBondContact N-O 2.97Å; W336-I385 HydrophobicContact CE3-CG2 4.22Å
337	L	94.5	Very high	95.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-132.9	149.4	172.4	-171.9	61.2	0	0	0	109.3	F148 W171 M286 M335 S384 G386	F148-L337 HydrophobicContact CE1-CD2 4.19Å; F148-L337 HydrophobicContact CZ-CD2 3.84Å; W171-L337 HydrophobicContact CH2-CD1 4.19Å; W171-L337 HydrophobicContact CH2-CD2 4.23Å; M286-L337 HydrophobicContact CE-CD1 4.31Å; M286-L337 HydrophobicContact CE-CD2 4.49Å; M335-L337 WeakPolarHBondContact CE-O 3.42Å; L337-S384 PolarHBondContact N-O 2.92Å; L337-G386 WeakPolarHBondContact O-CA 3.48Å
338	G	91.6	Very high	95.6	Very high	34 Å²	34	42.1 Å²	42.1	35%	0.351	21%	0.212	S	C	.	.	S	Bend	trans	85.9	-161.4	-176.2	0	0	0	0	0	113.8
339	S	92.6	Very high	95.7	Very high	25 Å²	25	37.7 Å²	37.7	18%	0.175	19%	0.188	C	C	.	.			trans	-147.7	172.1	178.2	72.8	0	0	0	0	110.5	W341 L342	S339-W341 PolarHBondContact O-N 2.79Å; S339-W341 WeakPolarHBondContact OG-CB 3.41Å; S339-W341 PolarHBondContact OG-N 2.8Å; S339-L342 WeakPolarHBondContact O-CG 3.46Å; S339-L342 PolarHBondContact O-N 2.95Å
340	N	94.2	Very high	95.9	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.1	-16.1	176.9	-63.9	17	0	0	0	112.3	P327 M329 L342 S343	P327-N340 HydrophobicContact CB-CB 3.75Å; P327-N340 WeakPolarHBondContact CB-O 3.26Å; P327-N340 VanDerWaalsContact CG-C 3.42Å; P327-N340 HydrophobicContact CG-CB 3.93Å; P327-N340 WeakPolarHBondContact CG-O 3.33Å; M329-N340 PolarHBondContact O-ND2 3.08Å; N340-L342 PolarHBondContact O-N 2.86Å; N340-S343 PolarHBondContact O-N 3.02Å; N340-S343 VanDerWaalsContact O-N 3.15Å
341	W	96.6	Very high	96.1	Very high	19 Å²	19	34 Å²	34	7%	0.072	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.3	-2.8	172.2	-72.9	117.8	0	0	0	114.2	N303 P304 D305 A324 P325 Y326 P327 S339 S343 M344	N303-W341 VanDerWaalsContact ND2-CD1 3.26Å; N303-W341 VanDerWaalsContact OD1-CE2 3.23Å; N303-W341 WeakPolarHBondContact OD1-CZ2 3.34Å; P304-W341 HydrophobicContact CG-CH2 3.34Å; P304-W341 HydrophobicContact CG-CZ2 3.84Å; P304-W341 HydrophobicContact CG-CZ3 4.18Å; D305-W341 HydrophobicContact CB-CZ2 4.34Å; D305-W341 VanDerWaalsContact OD2-CZ2 3.27Å; D305-W341 WeakPolarHBondContact OD2-CZ2 3.41Å; D305-W341 PolarHBondContact OD2-NE1 2.88Å; A324-W341 HydrophobicContact CB-CZ3 3.97Å; P325-W341 WeakPolarHBondContact O-CZ3 3.32Å; Y326-W341 AromaticContact CD1-CH2 3.72Å; Y326-W341 HydrophobicContact CD1-CH2 3.72Å; Y326-W341 AromaticContact CD1-CZ2 3.64Å; Y326-W341 HydrophobicContact CD1-CZ2 3.64Å; Y326-W341 HydrophobicContact CE1-CH2 4.11Å; Y326-W341 AromaticContact CE1-CZ2 3.8Å; Y326-W341 HydrophobicContact CE1-CZ2 3.8Å; Y326-W341 HydrophobicContact CG-CH2 4.28Å; P327-W341 HydrophobicContact CG-CD2 3.99Å; P327-W341 HydrophobicContact CG-CE3 3.87Å; P327-W341 HydrophobicContact CG-CG 4.45Å; P327-W341 HydrophobicContact CG-CZ3 4.22Å; S339-W341 PolarHBondContact O-N 2.79Å; S339-W341 WeakPolarHBondContact OG-CB 3.41Å; S339-W341 PolarHBondContact OG-N 2.8Å; W341-S343 PolarHBondContact O-N 3.28Å; W341-M344 HydrophobicContact CE3-CG 4.45Å; W341-M344 HydrophobicContact CE3-SD 4.19Å; W341-M344 WeakPolarHBondContact O-CG 3.37Å; W341-M344 PolarHBondContact O-N 2.9Å; W341-M344 VanDerWaalsContact O-N 3.09Å
342	L	97.3	Very high	96.5	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.058	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.7	-10.4	163.7	-68.1	-179.9	0	0	0	113.3	A290 M335 S339 N340 M344 N345 N383	A290-L342 HydrophobicContact CB-CD2 4.41Å; M335-L342 HydrophobicContact CE-CD1 3.56Å; M335-L342 HydrophobicContact CE-CG 4.47Å; S339-L342 WeakPolarHBondContact O-CG 3.46Å; S339-L342 PolarHBondContact O-N 2.95Å; N340-L342 PolarHBondContact O-N 2.86Å; L342-M344 PolarHBondContact O-N 2.79Å; L342-N345 HydrophobicContact CB-CB 4.48Å; L342-N345 HydrophobicContact CD2-CB 3.87Å; L342-N345 WeakPolarHBondContact O-CB 3.34Å; L342-N345 PolarHBondContact O-N 3.42Å; L342-N345 VanDerWaalsContact O-N 3.11Å; L342-N383 HydrophobicContact CD1-CB 3.82Å
343	S	97.9	Very high	96.8	Very high	4 Å²	4	26 Å²	26	3%	0.028	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-56	-30.8	167.4	65.6	0	0	0	0	113.7	P327 N340 W341	P327-S343 WeakPolarHBondContact CG-OG 3.47Å; N340-S343 PolarHBondContact O-N 3.02Å; N340-S343 VanDerWaalsContact O-N 3.15Å; W341-S343 PolarHBondContact O-N 3.28Å
344	M	98.3	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-96.2	-2.1	176.1	64.8	174.9	-72.9	0	0	114	T293 V301 N303 A324 W341 L342 V346 I363	T293-M344 HydrophobicContact CG2-CE 4.22Å; V301-M344 HydrophobicContact CG1-CE 4.09Å; N303-M344 HydrophobicContact CB-CE 4.35Å; N303-M344 HydrophobicContact CB-SD 3.63Å; A324-M344 HydrophobicContact CB-CB 4.11Å; A324-M344 HydrophobicContact CB-SD 3.9Å; W341-M344 HydrophobicContact CE3-CG 4.45Å; W341-M344 HydrophobicContact CE3-SD 4.19Å; W341-M344 WeakPolarHBondContact O-CG 3.37Å; W341-M344 PolarHBondContact O-N 2.9Å; W341-M344 VanDerWaalsContact O-N 3.09Å; L342-M344 PolarHBondContact O-N 2.79Å; M344-V346 PolarHBondContact O-N 2.66Å; M344-I363 HydrophobicContact CB-CD1 4.29Å
345	N	98.6	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.			trans	-80.3	65.1	175.9	-169.4	-107.2	0	0	0	110.9	D289 L342 G388 F389 H390 C391	D289-N345 WeakPolarHBondContact CB-ND2 3.46Å; D289-N345 PolarHBondContact O-ND2 2.79Å; D289-N345 PolarHBondContact OD1-ND2 2.79Å; D289-N345 PolarHBondContact OD2-ND2 3.16Å; L342-N345 HydrophobicContact CB-CB 4.48Å; L342-N345 HydrophobicContact CD2-CB 3.87Å; L342-N345 WeakPolarHBondContact O-CB 3.34Å; L342-N345 PolarHBondContact O-N 3.42Å; L342-N345 VanDerWaalsContact O-N 3.11Å; N345-G388 CarbonylContact O-C 3.58Å; N345-G388 WeakPolarHBondContact OD1-CA 3.36Å; N345-G388 PolarHBondContact OD1-N 3.37Å; N345-G388 PolarHBondContact OD1-O 2.99Å; N345-F389 PolarHBondContact O-N 2.85Å; N345-H390 PolarHBondContact O-N 2.96Å; N345-H390 PolarHBondContact OD1-N 3.3Å; N345-C391 VanDerWaalsContact CG-SG 3.59Å; N345-C391 PolarHBondContact ND2-SG 3Å; N345-C391 VanDerWaalsContact ND2-SG 3.41Å; N345-C391 PolarHBondContact OD1-N 2.75Å; N345-C391 VanDerWaalsContact OD1-N 3.14Å; N345-C391 PolarHBondContact OD1-SG 2.82Å
346	V	98.7	Very high	97.3	Very high	10 Å²	10	20.2 Å²	20.2	6%	0.061	11%	0.109	C	C	.	.			trans	-94	163.7	-170.3	-58.5	0	0	0	0	112.5	M344 V354 V355 V356 Y367 H390	M344-V346 PolarHBondContact O-N 2.66Å; V346-V354 HydrophobicContact CB-CG2 3.76Å; V346-V354 HydrophobicContact CG1-CG2 4.42Å; V346-V354 HydrophobicContact CG2-CG2 3.74Å; V346-V355 WeakPolarHBondContact CB-O 3.11Å; V346-V356 HydrophobicContact CB-CG1 4.41Å; V346-V356 HydrophobicContact CG1-CG1 3.79Å; V346-Y367 HydrophobicContact CG1-CE2 4.02Å; V346-Y367 HydrophobicContact CG2-CE2 4.17Å; V346-Y367 WeakPolarHBondContact CG2-OH 3.28Å; V346-H390 WeakPolarHBondContact O-CB 3.36Å
347	L	98.9	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.5	172.9	174.3	67.1	0	0	0	110.2	L56 I59 F115 L119 L349 V355 F389 T393	L56-L347 HydrophobicContact CD2-CD2 4.39Å; I59-L347 HydrophobicContact CD1-CD1 4.07Å; I59-L347 HydrophobicContact CD1-CD2 3.69Å; F115-L347 HydrophobicContact CE2-CD2 4.46Å; F115-L347 HydrophobicContact CZ-CD2 3.95Å; L119-L347 HydrophobicContact CD2-CD2 4.03Å; L347-L349 HydrophobicContact CD2-CD2 4Å; L347-L349 HydrophobicContact CG-CD2 4.14Å; L347-V355 HydrophobicContact CB-CB 4.29Å; L347-V355 PolarHBondContact N-O 2.93Å; L347-V355 PolarHBondContact O-N 2.88Å; L347-F389 HydrophobicContact CB-CB 3.73Å; L347-T393 HydrophobicContact CD2-CG2 4.32Å
348	M	98.9	Very high	97.6	Very high	7 Å²	7	21 Å²	21	3%	0.034	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.6	169	-54.9	-59.6	-58	0	0	109.7	E52 W53 V295 D350 V354 Y367 I372 R398	E52-M348 WeakPolarHBondContact O-CB 3.17Å; W53-M348 HydrophobicContact CB-CB 4.44Å; V295-M348 HydrophobicContact CG1-CE 3.79Å; V295-M348 HydrophobicContact CG1-SD 3.89Å; M348-D350 VanDerWaalsContact CE-O 3.26Å; M348-D350 WeakPolarHBondContact CE-O 3.49Å; M348-V354 HydrophobicContact CE-CB 4Å; M348-V354 HydrophobicContact CE-CG2 4.47Å; M348-V354 HydrophobicContact SD-CB 3.63Å; M348-V354 HydrophobicContact SD-CG2 3.45Å; M348-V354 WeakPolarHBondContact SD-CG2 3.32Å; M348-Y367 HydrophobicContact SD-CE1 4.35Å; M348-I372 HydrophobicContact CE-CD1 4.24Å; M348-I372 HydrophobicContact CE-CG2 3.94Å; M348-R398 PolarHBondContact O-NH1 2.96Å; M348-R398 PolarHBondContact O-NH2 3.49Å
349	L	98.8	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-34.9	171.2	-55.9	-166	0	0	0	110.9	P55 L56 L119 E122 I124 L347 R353 V355 I375	P55-L349 CarbonylContact C-O 3.58Å; P55-L349 WeakPolarHBondContact CA-O 3.07Å; L56-L349 WeakPolarHBondContact CB-O 3.5Å; L56-L349 HydrophobicContact CD2-CD2 4.02Å; L56-L349 PolarHBondContact N-O 2.84Å; L119-L349 HydrophobicContact CD2-CD2 3.82Å; E122-L349 HydrophobicContact CB-CD1 3.99Å; E122-L349 HydrophobicContact CG-CD1 3.82Å; I124-L349 HydrophobicContact CD1-CD1 4.04Å; I124-L349 HydrophobicContact CD1-CD2 3.78Å; I124-L349 HydrophobicContact CD1-CG 4.37Å; L347-L349 HydrophobicContact CD2-CD2 4Å; L347-L349 HydrophobicContact CG-CD2 4.14Å; L349-R353 HydrophobicContact CB-CB 4.1Å; L349-R353 PolarHBondContact N-O 2.83Å; L349-V355 HydrophobicContact CD1-CG2 4.14Å; L349-V355 HydrophobicContact CD2-CG2 3.69Å; L349-V355 HydrophobicContact CG-CG2 3.88Å; L349-I375 HydrophobicContact CD1-CD1 3.33Å; L349-I375 HydrophobicContact CG-CD1 4.21Å
350	D	98.8	Very high	98.2	Very high	22 Å²	22	23 Å²	23	12%	0.118	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-173.5	168.4	57.3	51.2	0	0	0	109.2	W53 P55 M348 N352 R353	W53-D350 CarbonylContact O-C 3.59Å; W53-D350 WeakPolarHBondContact O-CA 3.43Å; P55-D350 HydrophobicContact CB-CB 4.34Å; P55-D350 HydrophobicContact CG-CB 4.22Å; M348-D350 VanDerWaalsContact CE-O 3.26Å; M348-D350 WeakPolarHBondContact CE-O 3.49Å; D350-N352 PolarHBondContact O-N 3.38Å; D350-N352 VanDerWaalsContact OD1-CA 3.29Å; D350-N352 WeakPolarHBondContact OD1-CA 3.36Å; D350-N352 WeakPolarHBondContact OD1-CB 3.26Å; D350-N352 PolarHBondContact OD1-N 2.91Å; D350-R353 PolarHBondContact N-O 2.89Å; D350-R353 PolarHBondContact O-N 3.43Å; D350-R353 VanDerWaalsContact O-O 3.1Å; D350-R353 PolarHBondContact OD1-N 3.15Å; D350-R353 IonicContact OD1-NE 3.81Å; D350-R353 IonicContact OD2-CZ 2.73Å; D350-R353 IonicContact OD2-NE 2.74Å; D350-R353 PolarHBondContact OD2-NE 3.09Å; D350-R353 IonicContact OD2-NH2 3.87Å; D350-R353 PolarHBondContact OD2-NH2 3.21Å
351	Q	98.5	Very high	98.4	Very high	71 Å²	71	24.3 Å²	24.3	33%	0.332	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.9	-179.8	-59.3	-174.5	27.3	0	0	114.9	W53 K296	W53-Q351 HydrophobicContact CB-CG 4.37Å; W53-Q351 HydrophobicContact CG-CG 4.3Å; W53-Q351 PolarHBondContact O-N 2.73Å; W53-Q351 VanDerWaalsContact O-N 3.17Å; K296-Q351 HydrophobicContact CB-CB 4.11Å; K296-Q351 HydrophobicContact CB-CG 4.12Å; K296-Q351 HydrophobicContact CD-CB 4.46Å
352	N	98.6	Very high	98.5	Very high	99 Å²	99	24.5 Å²	24.5	53%	0.529	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-4.6	-176.5	-57.4	-54	0	0	0	113.4	D350 K373	D350-N352 PolarHBondContact O-N 3.38Å; D350-N352 VanDerWaalsContact OD1-CA 3.29Å; D350-N352 WeakPolarHBondContact OD1-CA 3.36Å; D350-N352 WeakPolarHBondContact OD1-CB 3.26Å; D350-N352 PolarHBondContact OD1-N 2.91Å; N352-K373 WeakPolarHBondContact O-CB 3.36Å; N352-K373 PolarHBondContact O-N 3.29Å
353	R	98.8	Very high	98.5	Very high	62 Å²	62	24 Å²	24	23%	0.234	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.4	-178.8	-68.6	-176.3	-65	162.4	1.5	111.2	E122 L349 D350 K373 I375	E122-R353 IonicContact OE2-CZ 3.6Å; E122-R353 IonicContact OE2-NH1 3.47Å; E122-R353 PolarHBondContact OE2-NH1 3.08Å; L349-R353 HydrophobicContact CB-CB 4.1Å; L349-R353 PolarHBondContact N-O 2.83Å; D350-R353 PolarHBondContact N-O 2.89Å; D350-R353 PolarHBondContact O-N 3.43Å; D350-R353 VanDerWaalsContact O-O 3.1Å; D350-R353 PolarHBondContact OD1-N 3.15Å; D350-R353 IonicContact OD1-NE 3.81Å; D350-R353 IonicContact OD2-CZ 2.73Å; D350-R353 IonicContact OD2-NE 2.74Å; D350-R353 PolarHBondContact OD2-NE 3.09Å; D350-R353 IonicContact OD2-NH2 3.87Å; D350-R353 PolarHBondContact OD2-NH2 3.21Å; R353-K373 WeakPolarHBondContact CA-O 3.44Å; R353-I375 HydrophobicContact CB-CD1 4.23Å
354	V	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.7	179.9	61.9	0	0	0	0	110.9	V346 M348 V356 Y367 I372 K373 P374 I375	V346-V354 HydrophobicContact CB-CG2 3.76Å; V346-V354 HydrophobicContact CG1-CG2 4.42Å; V346-V354 HydrophobicContact CG2-CG2 3.74Å; M348-V354 HydrophobicContact CE-CB 4Å; M348-V354 HydrophobicContact CE-CG2 4.47Å; M348-V354 HydrophobicContact SD-CB 3.63Å; M348-V354 HydrophobicContact SD-CG2 3.45Å; M348-V354 WeakPolarHBondContact SD-CG2 3.32Å; V354-V356 HydrophobicContact CG1-CG1 4.01Å; V354-V356 HydrophobicContact CG2-CG1 3.88Å; V354-Y367 HydrophobicContact CG1-CD1 3.97Å; V354-Y367 HydrophobicContact CG1-CD2 3.82Å; V354-Y367 HydrophobicContact CG1-CE2 4.41Å; V354-Y367 HydrophobicContact CG1-CG 3.61Å; V354-Y367 HydrophobicContact CG2-CD2 4.3Å; V354-Y367 HydrophobicContact CG2-CE1 4.32Å; V354-Y367 HydrophobicContact CG2-CE2 4.05Å; V354-I372 HydrophobicContact CB-CG2 3.89Å; V354-I372 HydrophobicContact CG1-CG2 3.59Å; V354-K373 PolarHBondContact N-O 3.22Å; V354-P374 CarbonylContact O-C 3.52Å; V354-P374 WeakPolarHBondContact O-CA 3.48Å; V354-I375 PolarHBondContact O-N 3.05Å
355	V	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.9	172	-175.2	0	0	0	0	109.3	F115 V346 L347 L349 I375 V377 F389	F115-V355 HydrophobicContact CD2-CG1 4.38Å; F115-V355 HydrophobicContact CE2-CG1 3.93Å; F115-V355 HydrophobicContact CE2-CG2 4.49Å; V346-V355 WeakPolarHBondContact CB-O 3.11Å; L347-V355 HydrophobicContact CB-CB 4.29Å; L347-V355 PolarHBondContact N-O 2.93Å; L347-V355 PolarHBondContact O-N 2.88Å; L349-V355 HydrophobicContact CD1-CG2 4.14Å; L349-V355 HydrophobicContact CD2-CG2 3.69Å; L349-V355 HydrophobicContact CG-CG2 3.88Å; V355-I375 WeakPolarHBondContact CA-O 3.46Å; V355-I375 HydrophobicContact CG2-CB 4.39Å; V355-V377 HydrophobicContact CG1-CB 4.16Å; V355-V377 HydrophobicContact CG1-CG2 3.57Å; V355-F389 HydrophobicContact CB-CG 4.43Å; V355-F389 HydrophobicContact CG1-CD1 3.64Å; V355-F389 HydrophobicContact CG1-CD2 4.14Å; V355-F389 HydrophobicContact CG1-CE1 3.68Å; V355-F389 HydrophobicContact CG1-CE2 4.2Å; V355-F389 HydrophobicContact CG1-CG 3.87Å; V355-F389 HydrophobicContact CG1-CZ 3.96Å
356	V	98.8	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	160.7	-177.2	-57.4	0	0	0	0	111.6	V346 V354 S358 I363 Q364 Y367 P374 I375 V377	V346-V356 HydrophobicContact CB-CG1 4.41Å; V346-V356 HydrophobicContact CG1-CG1 3.79Å; V354-V356 HydrophobicContact CG1-CG1 4.01Å; V354-V356 HydrophobicContact CG2-CG1 3.88Å; V356-S358 PolarHBondContact O-N 3.1Å; V356-I363 HydrophobicContact CB-CG2 4.17Å; V356-I363 HydrophobicContact CG1-CG2 4.31Å; V356-Q364 HydrophobicContact CG2-CG 3.47Å; V356-Q364 VanDerWaalsContact CG2-CG 3.47Å; V356-Y367 HydrophobicContact CG1-CD2 3.99Å; V356-Y367 HydrophobicContact CG1-CE2 4.14Å; V356-P374 HydrophobicContact CG2-CB 3.76Å; V356-I375 PolarHBondContact N-O 3.06Å; V356-V377 PolarHBondContact O-N 2.82Å
357	E	98.5	Very high	98.6	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.4	179.1	-148.5	-63	146.4	0	0	109	E359 E360 Q364 V377 F379 K380 F389	E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.37Å; E357-E359 WeakPolarHBondContact OE2-CA 3.35Å; E357-E359 WeakPolarHBondContact OE2-CB 3.44Å; E357-E359 PolarHBondContact OE2-N 2.9Å; E357-E360 HydrophobicContact CB-CB 4.22Å; E357-E360 HydrophobicContact CB-CG 3.88Å; E357-E360 PolarHBondContact O-N 3.09Å; E357-E360 VanDerWaalsContact O-N 3.1Å; E357-Q364 PolarHBondContact O-NE2 3.22Å; E357-V377 CarbonylContact C-O 3.54Å; E357-V377 WeakPolarHBondContact CA-O 3.29Å; E357-F379 HydrophobicContact CG-CB 4.18Å; E357-F379 PolarHBondContact OE1-N 3.27Å; E357-K380 PolarHBondContact OE1-N 3.41Å; E357-F389 HydrophobicContact CB-CE2 4.32Å
358	S	98.2	Very high	98.6	Very high	28 Å²	28	34.5 Å²	34.5	20%	0.196	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.8	-170	61.9	0	0	0	0	116	V356 Q364 V377 K378	V356-S358 PolarHBondContact O-N 3.1Å; S358-Q364 VanDerWaalsContact C-NE2 3.31Å; S358-Q364 PolarHBondContact O-NE2 3Å; S358-V377 PolarHBondContact N-O 2.97Å; S358-K378 WeakPolarHBondContact OG-CG 3.49Å
359	E	97.7	Very high	98.5	Very high	95 Å²	95	39 Å²	39	44%	0.444	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.9	179	-61.6	-179.2	-174.2	0	0	112.2	E357 T361 K380	E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.37Å; E357-E359 WeakPolarHBondContact OE2-CA 3.35Å; E357-E359 WeakPolarHBondContact OE2-CB 3.44Å; E357-E359 PolarHBondContact OE2-N 2.9Å; E359-T361 VanDerWaalsContact C-N 3.27Å; E359-T361 PolarHBondContact O-N 3.39Å; E359-K380 IonicContact OE1-NZ 2.95Å; E359-K380 PolarHBondContact OE1-NZ 3.11Å; E359-K380 WeakPolarHBondContact OE2-CD 3.37Å; E359-K380 IonicContact OE2-NZ 3.66Å; E359-K380 PolarHBondContact OE2-NZ 3.25Å
360	E	98.3	Very high	98.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.019	21%	0.214	C	C	.	.			trans	-80.7	68.3	177.2	-67.1	-67.6	168.6	0	0	111	P327 L328 M329 E357 G362 I363 Q364	P327-E360 WeakPolarHBondContact CA-OE2 3.17Å; L328-E360 PolarHBondContact N-OE1 3.3Å; L328-E360 PolarHBondContact N-OE2 3.48Å; M329-E360 WeakPolarHBondContact CB-OE1 3.49Å; M329-E360 PolarHBondContact N-OE1 3.02Å; E357-E360 HydrophobicContact CB-CB 4.22Å; E357-E360 HydrophobicContact CB-CG 3.88Å; E357-E360 PolarHBondContact O-N 3.09Å; E357-E360 VanDerWaalsContact O-N 3.1Å; E360-G362 VanDerWaalsContact C-N 3.27Å; E360-G362 PolarHBondContact O-N 3.34Å; E360-I363 HydrophobicContact CB-CG2 3.79Å; E360-I363 VanDerWaalsContact O-CG2 3.31Å; E360-I363 WeakPolarHBondContact O-CG2 3.41Å; E360-I363 PolarHBondContact O-N 2.91Å; E360-Q364 WeakPolarHBondContact O-CG 3.37Å; E360-Q364 PolarHBondContact O-N 3.19Å; E360-Q364 PolarHBondContact O-NE2 3.28Å
361	T	98.3	Very high	98.4	Very high	73 Å²	73	41.9 Å²	41.9	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-28	-175.9	59.4	0	0	0	0	113.5	L328 E359 Q364 E365	L328-T361 WeakPolarHBondContact CD1-OG1 3.31Å; E359-T361 VanDerWaalsContact C-N 3.27Å; E359-T361 PolarHBondContact O-N 3.39Å; T361-Q364 WeakPolarHBondContact O-CB 3.47Å; T361-Q364 PolarHBondContact O-N 3.24Å; T361-E365 WeakPolarHBondContact O-CG 3.45Å; T361-E365 PolarHBondContact O-N 2.85Å
362	G	98.4	Very high	98.4	Very high	23 Å²	23	38.6 Å²	38.6	24%	0.237	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-51.9	175	0	0	0	0	0	112.2	P325 E360 Q364 E365 M366	P325-G362 WeakPolarHBondContact CG-O 3.4Å; E360-G362 VanDerWaalsContact C-N 3.27Å; E360-G362 PolarHBondContact O-N 3.34Å; G362-Q364 VanDerWaalsContact C-N 3.27Å; G362-Q364 PolarHBondContact O-N 3.23Å; G362-E365 PolarHBondContact O-N 2.85Å; G362-M366 PolarHBondContact O-N 2.99Å
363	I	98.4	Very high	98.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-34.2	-179.7	-159.2	75.9	0	0	0	110.6	A324 P325 M344 V356 E360 M366 Y367	A324-I363 HydrophobicContact CB-CD1 4.2Å; P325-I363 HydrophobicContact CG-CB 4.25Å; P325-I363 HydrophobicContact CG-CD1 4.14Å; M344-I363 HydrophobicContact CB-CD1 4.29Å; V356-I363 HydrophobicContact CB-CG2 4.17Å; V356-I363 HydrophobicContact CG1-CG2 4.31Å; E360-I363 HydrophobicContact CB-CG2 3.79Å; E360-I363 VanDerWaalsContact O-CG2 3.31Å; E360-I363 WeakPolarHBondContact O-CG2 3.41Å; E360-I363 PolarHBondContact O-N 2.91Å; I363-M366 HydrophobicContact CD1-CE 3.39Å; I363-M366 HydrophobicContact CD1-SD 4.05Å; I363-M366 HydrophobicContact CG1-CE 4.11Å; I363-M366 WeakPolarHBondContact O-CB 3.11Å; I363-M366 PolarHBondContact O-N 3.13Å; I363-Y367 HydrophobicContact CD1-CE2 4.16Å; I363-Y367 HydrophobicContact CG1-CD2 3.95Å; I363-Y367 HydrophobicContact CG1-CE2 3.59Å; I363-Y367 WeakPolarHBondContact O-CD2 3.45Å; I363-Y367 PolarHBondContact O-N 3.29Å
364	Q	98.6	Very high	98.4	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-49.8	173.8	-69.6	168.7	45	0	0	111.8	V356 E357 S358 E360 T361 G362 M366 Y367 K368 P374 N376	V356-Q364 HydrophobicContact CG2-CG 3.47Å; V356-Q364 VanDerWaalsContact CG2-CG 3.47Å; E357-Q364 PolarHBondContact O-NE2 3.22Å; S358-Q364 VanDerWaalsContact C-NE2 3.31Å; S358-Q364 PolarHBondContact O-NE2 3Å; E360-Q364 WeakPolarHBondContact O-CG 3.37Å; E360-Q364 PolarHBondContact O-N 3.19Å; E360-Q364 PolarHBondContact O-NE2 3.28Å; T361-Q364 WeakPolarHBondContact O-CB 3.47Å; T361-Q364 PolarHBondContact O-N 3.24Å; G362-Q364 VanDerWaalsContact C-N 3.27Å; G362-Q364 PolarHBondContact O-N 3.23Å; Q364-M366 VanDerWaalsContact C-N 3.33Å; Q364-M366 PolarHBondContact O-N 3.26Å; Q364-Y367 PolarHBondContact O-N 3.19Å; Q364-K368 WeakPolarHBondContact O-CG 3.36Å; Q364-K368 PolarHBondContact O-N 2.7Å; Q364-P374 HydrophobicContact CB-CB 4.37Å; Q364-P374 HydrophobicContact CB-CG 4.17Å; Q364-P374 HydrophobicContact CG-CB 4.15Å; Q364-P374 HydrophobicContact CG-CG 4.5Å; Q364-P374 WeakPolarHBondContact O-CG 3.4Å; Q364-N376 PolarHBondContact OE1-ND2 3.05Å; Q364-N376 PolarHBondContact OE1-OD1 3.06Å
365	E	98.7	Very high	98.4	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-36.4	178.5	-67.1	-48.6	128	0	0	112.3	T361 G362 K368 S369	T361-E365 WeakPolarHBondContact O-CG 3.45Å; T361-E365 PolarHBondContact O-N 2.85Å; G362-E365 PolarHBondContact O-N 2.85Å; E365-K368 PolarHBondContact O-N 3.15Å; E365-K368 IonicContact OE1-NZ 3.48Å; E365-K368 PolarHBondContact OE1-NZ 2.95Å; E365-S369 PolarHBondContact O-N 3.42Å
366	M	98.6	Very high	98.4	Very high	19 Å²	19	42.7 Å²	42.7	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-50.6	173	-175.7	-165.1	75.4	0	0	111.3	V301 V322 P325 G362 I363 Q364 K368 S369 M370	V301-M366 HydrophobicContact CB-CE 4.5Å; V301-M366 HydrophobicContact CG1-CE 4.06Å; V301-M366 HydrophobicContact CG1-SD 4.33Å; V301-M366 HydrophobicContact CG2-CE 3.59Å; V301-M366 HydrophobicContact CG2-SD 4.25Å; V322-M366 HydrophobicContact CG1-CG 4.22Å; V322-M366 HydrophobicContact CG1-SD 4Å; P325-M366 HydrophobicContact CG-CB 4.48Å; G362-M366 PolarHBondContact O-N 2.99Å; I363-M366 HydrophobicContact CD1-CE 3.39Å; I363-M366 HydrophobicContact CD1-SD 4.05Å; I363-M366 HydrophobicContact CG1-CE 4.11Å; I363-M366 WeakPolarHBondContact O-CB 3.11Å; I363-M366 PolarHBondContact O-N 3.13Å; Q364-M366 VanDerWaalsContact C-N 3.33Å; Q364-M366 PolarHBondContact O-N 3.26Å; M366-K368 PolarHBondContact O-N 3.45Å; M366-S369 WeakPolarHBondContact O-CB 3.21Å; M366-S369 PolarHBondContact O-N 2.92Å; M366-S369 PolarHBondContact O-OG 2.82Å; M366-M370 HydrophobicContact CE-CE 4.12Å; M366-M370 HydrophobicContact CG-CE 3.7Å; M366-M370 PolarHBondContact O-N 2.78Å; M366-M370 HydrophobicContact SD-CE 4.02Å
367	Y	98.7	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-39.8	178.8	-79.1	-64.5	0	0	0	112.9	V295 V346 M348 V354 V356 I363 Q364 S369 M370 G371 I372	V295-Y367 HydrophobicContact CB-CE1 4.5Å; V295-Y367 HydrophobicContact CG1-CD1 4.32Å; V295-Y367 HydrophobicContact CG1-CE1 3.75Å; V295-Y367 HydrophobicContact CG2-CE1 3.87Å; V346-Y367 HydrophobicContact CG1-CE2 4.02Å; V346-Y367 HydrophobicContact CG2-CE2 4.17Å; V346-Y367 WeakPolarHBondContact CG2-OH 3.28Å; M348-Y367 HydrophobicContact SD-CE1 4.35Å; V354-Y367 HydrophobicContact CG1-CD1 3.97Å; V354-Y367 HydrophobicContact CG1-CD2 3.82Å; V354-Y367 HydrophobicContact CG1-CE2 4.41Å; V354-Y367 HydrophobicContact CG1-CG 3.61Å; V354-Y367 HydrophobicContact CG2-CD2 4.3Å; V354-Y367 HydrophobicContact CG2-CE1 4.32Å; V354-Y367 HydrophobicContact CG2-CE2 4.05Å; V356-Y367 HydrophobicContact CG1-CD2 3.99Å; V356-Y367 HydrophobicContact CG1-CE2 4.14Å; I363-Y367 HydrophobicContact CD1-CE2 4.16Å; I363-Y367 HydrophobicContact CG1-CD2 3.95Å; I363-Y367 HydrophobicContact CG1-CE2 3.59Å; I363-Y367 WeakPolarHBondContact O-CD2 3.45Å; I363-Y367 PolarHBondContact O-N 3.29Å; Q364-Y367 PolarHBondContact O-N 3.19Å; Y367-S369 VanDerWaalsContact C-N 3.27Å; Y367-S369 PolarHBondContact O-N 2.63Å; Y367-M370 HydrophobicContact CD1-SD 4.26Å; Y367-M370 WeakPolarHBondContact O-CB 3.48Å; Y367-M370 PolarHBondContact O-N 2.99Å; Y367-G371 PolarHBondContact O-N 3.29Å; Y367-I372 CarbonylContact C-O 3.6Å; Y367-I372 VanDerWaalsContact C-O 3.24Å; Y367-I372 HydrophobicContact CD1-CB 4.28Å; Y367-I372 HydrophobicContact CD1-CD1 3.98Å; Y367-I372 HydrophobicContact CD1-CG2 4.23Å; Y367-I372 WeakPolarHBondContact O-CB 3.5Å; Y367-I372 PolarHBondContact O-N 2.89Å; Y367-I372 VanDerWaalsContact O-O 3.14Å
368	K	98.6	Very high	98.4	Very high	101 Å²	101	49 Å²	49	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-41.8	173.4	-71.2	173.3	-169.2	170.3	0	111.6	Q364 E365 M366 M370 G371 I372 P374	Q364-K368 WeakPolarHBondContact O-CG 3.36Å; Q364-K368 PolarHBondContact O-N 2.7Å; E365-K368 PolarHBondContact O-N 3.15Å; E365-K368 IonicContact OE1-NZ 3.48Å; E365-K368 PolarHBondContact OE1-NZ 2.95Å; M366-K368 PolarHBondContact O-N 3.45Å; K368-M370 PolarHBondContact O-N 3.22Å; K368-G371 PolarHBondContact O-N 3.37Å; K368-I372 WeakPolarHBondContact CA-O 3.45Å; K368-I372 PolarHBondContact N-O 2.68Å; K368-P374 HydrophobicContact CG-CG 3.8Å
369	S	97.8	Very high	98.4	Very high	100 Å²	100	47.7 Å²	47.7	70%	0.699	26%	0.26	S	S	*	.	H	α-helix	trans	-62.7	-23.1	177.5	82.1	0	0	0	0	113.4	E365 M366 Y367 G371	E365-S369 PolarHBondContact O-N 3.42Å; M366-S369 WeakPolarHBondContact O-CB 3.21Å; M366-S369 PolarHBondContact O-N 2.92Å; M366-S369 PolarHBondContact O-OG 2.82Å; Y367-S369 VanDerWaalsContact C-N 3.27Å; Y367-S369 PolarHBondContact O-N 2.63Å; S369-G371 VanDerWaalsContact C-N 3.33Å
370	M	97.4	Very high	98.3	Very high	28 Å²	28	45 Å²	45	14%	0.138	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.9	175.2	-60.4	170.1	-177.7	0	0	113.3	K296 I299 V301 V322 M366 Y367 K368 I372	K296-M370 PolarHBondContact NZ-O 2.96Å; I299-M370 HydrophobicContact CG2-CE 4.35Å; I299-M370 HydrophobicContact CG2-SD 4.06Å; V301-M370 HydrophobicContact CG2-CE 4.25Å; V322-M370 HydrophobicContact CB-CE 3.62Å; V322-M370 HydrophobicContact CG1-CE 3.61Å; V322-M370 HydrophobicContact CG2-CE 3.67Å; M366-M370 HydrophobicContact CE-CE 4.12Å; M366-M370 HydrophobicContact CG-CE 3.7Å; M366-M370 PolarHBondContact O-N 2.78Å; M366-M370 HydrophobicContact SD-CE 4.02Å; Y367-M370 HydrophobicContact CD1-SD 4.26Å; Y367-M370 WeakPolarHBondContact O-CB 3.48Å; Y367-M370 PolarHBondContact O-N 2.99Å; K368-M370 PolarHBondContact O-N 3.22Å; M370-I372 VanDerWaalsContact C-N 3.34Å; M370-I372 HydrophobicContact CB-CD1 3.99Å; M370-I372 HydrophobicContact CB-CG1 4.18Å; M370-I372 HydrophobicContact SD-CD1 4.48Å
371	G	97.7	Very high	98.3	Very high	56 Å²	56	47.4 Å²	47.4	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	21.8	-174.8	0	0	0	0	0	113.9	Y367 K368 S369	Y367-G371 PolarHBondContact O-N 3.29Å; K368-G371 PolarHBondContact O-N 3.37Å; S369-G371 VanDerWaalsContact C-N 3.33Å
372	I	98.7	Very high	98.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.235	C	C	.	.			trans	-107.8	125.3	-177.3	-57.6	170.9	0	0	0	108.3	V295 K296 M348 V354 Y367 K368 M370 P374	V295-I372 HydrophobicContact CG1-CD1 3.29Å; K296-I372 HydrophobicContact CD-CD1 4.23Å; M348-I372 HydrophobicContact CE-CD1 4.24Å; M348-I372 HydrophobicContact CE-CG2 3.94Å; V354-I372 HydrophobicContact CB-CG2 3.89Å; V354-I372 HydrophobicContact CG1-CG2 3.59Å; Y367-I372 CarbonylContact C-O 3.6Å; Y367-I372 VanDerWaalsContact C-O 3.24Å; Y367-I372 HydrophobicContact CD1-CB 4.28Å; Y367-I372 HydrophobicContact CD1-CD1 3.98Å; Y367-I372 HydrophobicContact CD1-CG2 4.23Å; Y367-I372 WeakPolarHBondContact O-CB 3.5Å; Y367-I372 PolarHBondContact O-N 2.89Å; Y367-I372 VanDerWaalsContact O-O 3.14Å; K368-I372 WeakPolarHBondContact CA-O 3.45Å; K368-I372 PolarHBondContact N-O 2.68Å; M370-I372 VanDerWaalsContact C-N 3.34Å; M370-I372 HydrophobicContact CB-CD1 3.99Å; M370-I372 HydrophobicContact CB-CG1 4.18Å; M370-I372 HydrophobicContact SD-CD1 4.48Å; I372-P374 VanDerWaalsContact O-CD 3.25Å; I372-P374 WeakPolarHBondContact O-CD 3.48Å
373	K	98.6	Very high	98.3	Very high	133 Å²	133	43 Å²	43	58%	0.578	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.8	-179.9	-178.3	-173.5	174.6	-168.5	0	110.5	N352 R353 V354	N352-K373 WeakPolarHBondContact O-CB 3.36Å; N352-K373 PolarHBondContact O-N 3.29Å; R353-K373 WeakPolarHBondContact CA-O 3.44Å; V354-K373 PolarHBondContact N-O 3.22Å
374	P	98.7	Very high	98.2	Very high	18 Å²	18	43 Å²	43	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138	171.3	-15.7	32.3	0	0	0	111.7	V354 V356 Q364 K368 I372	V354-P374 CarbonylContact O-C 3.52Å; V354-P374 WeakPolarHBondContact O-CA 3.48Å; V356-P374 HydrophobicContact CG2-CB 3.76Å; Q364-P374 HydrophobicContact CB-CB 4.37Å; Q364-P374 HydrophobicContact CB-CG 4.17Å; Q364-P374 HydrophobicContact CG-CB 4.15Å; Q364-P374 HydrophobicContact CG-CG 4.5Å; Q364-P374 WeakPolarHBondContact O-CG 3.4Å; K368-P374 HydrophobicContact CG-CG 3.8Å; I372-P374 VanDerWaalsContact O-CD 3.25Å; I372-P374 WeakPolarHBondContact O-CD 3.48Å
375	I	98.8	Very high	98.1	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	106.7	167.4	-62.5	167.6	0	0	0	106.2	I118 E122 L349 R353 V354 V355 V356 V377	I118-I375 HydrophobicContact CG2-CG2 3.89Å; E122-I375 HydrophobicContact CG-CD1 4.15Å; L349-I375 HydrophobicContact CD1-CD1 3.33Å; L349-I375 HydrophobicContact CG-CD1 4.21Å; R353-I375 HydrophobicContact CB-CD1 4.23Å; V354-I375 PolarHBondContact O-N 3.05Å; V355-I375 WeakPolarHBondContact CA-O 3.46Å; V355-I375 HydrophobicContact CG2-CB 4.39Å; V356-I375 PolarHBondContact N-O 3.06Å; I375-V377 HydrophobicContact CG2-CG2 4.32Å; I375-V377 PolarHBondContact O-N 3.15Å
376	N	98.4	Very high	98	Very high	79 Å²	79	38 Å²	38	42%	0.422	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.9	-170.4	-67.7	-3.9	0	0	0	110.5	Q364	Q364-N376 PolarHBondContact OE1-ND2 3.05Å; Q364-N376 PolarHBondContact OE1-OD1 3.06Å
377	V	98.6	Very high	97.9	Very high	3 Å²	3	37 Å²	37	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132	-179.8	-177.5	0	0	0	0	109.5	F115 I118 V355 V356 E357 S358 I375 F379 F389	F115-V377 HydrophobicContact CB-CG1 4.1Å; F115-V377 HydrophobicContact CD2-CG1 4.32Å; I118-V377 HydrophobicContact CD1-CB 4.41Å; I118-V377 HydrophobicContact CD1-CG1 4.1Å; I118-V377 HydrophobicContact CD1-CG2 3.71Å; I118-V377 HydrophobicContact CG2-CG2 4.19Å; V355-V377 HydrophobicContact CG1-CB 4.16Å; V355-V377 HydrophobicContact CG1-CG2 3.57Å; V356-V377 PolarHBondContact O-N 2.82Å; E357-V377 CarbonylContact C-O 3.54Å; E357-V377 WeakPolarHBondContact CA-O 3.29Å; S358-V377 PolarHBondContact N-O 2.97Å; I375-V377 HydrophobicContact CG2-CG2 4.32Å; I375-V377 PolarHBondContact O-N 3.15Å; V377-F379 HydrophobicContact CG1-CD2 4.3Å; V377-F379 PolarHBondContact O-N 3.13Å; V377-F389 HydrophobicContact CB-CE1 3.73Å; V377-F389 HydrophobicContact CB-CZ 3.78Å; V377-F389 HydrophobicContact CG1-CE1 3.81Å; V377-F389 HydrophobicContact CG1-CZ 4.24Å; V377-F389 HydrophobicContact CG2-CE1 4.45Å
378	K	98.4	Very high	97.9	Very high	136 Å²	136	37 Å²	37	59%	0.591	20%	0.198	S	C	*	.			trans	-72	118.2	171.9	-74.3	-179.2	177.1	-174.8	0	108.5	Q111 S358	Q111-K378 WeakPolarHBondContact CB-O 3.31Å; Q111-K378 HydrophobicContact CG-CB 4.47Å; Q111-K378 WeakPolarHBondContact CG-O 3.34Å; S358-K378 WeakPolarHBondContact OG-CG 3.49Å
379	F	98.2	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	-146.3	-2.6	-172.4	-144.8	-109.4	0	0	0	115.1	Q111 V112 F115 E357 V377 Y381 A382 N383 F389 W392	Q111-F379 HydrophobicContact CB-CD2 4.22Å; Q111-F379 VanDerWaalsContact OE1-CA 3.32Å; Q111-F379 PolarHBondContact OE1-O 3.31Å; V112-F379 HydrophobicContact CG2-CE2 4.39Å; V112-F379 HydrophobicContact CG2-CZ 4.36Å; F115-F379 HydrophobicContact CB-CD2 4.11Å; F115-F379 HydrophobicContact CB-CE2 3.67Å; F115-F379 AromaticContact CD1-CE2 3.78Å; F115-F379 HydrophobicContact CD1-CE2 3.78Å; F115-F379 AromaticContact CD1-CZ 4Å; F115-F379 HydrophobicContact CD1-CZ 4Å; F115-F379 HydrophobicContact CG-CD2 4.47Å; F115-F379 AromaticContact CG-CE2 3.92Å; F115-F379 HydrophobicContact CG-CE2 3.92Å; E357-F379 HydrophobicContact CG-CB 4.18Å; E357-F379 PolarHBondContact OE1-N 3.27Å; V377-F379 HydrophobicContact CG1-CD2 4.3Å; V377-F379 PolarHBondContact O-N 3.13Å; F379-Y381 VanDerWaalsContact C-N 3.26Å; F379-Y381 PolarHBondContact O-N 2.86Å; F379-Y381 VanDerWaalsContact O-N 3.09Å; F379-A382 HydrophobicContact CD1-CB 3.82Å; F379-A382 HydrophobicContact CD2-CB 4.18Å; F379-A382 HydrophobicContact CE1-CB 3.6Å; F379-A382 HydrophobicContact CE2-CB 3.98Å; F379-A382 HydrophobicContact CG-CB 4.1Å; F379-A382 HydrophobicContact CZ-CB 3.68Å; F379-A382 WeakPolarHBondContact O-CB 3.34Å; F379-A382 PolarHBondContact O-N 3.24Å; F379-N383 WeakPolarHBondContact CD1-OD1 3.39Å; F379-N383 PolarHBondContact O-N 3.31Å; F379-N383 PolarHBondContact O-OD1 2.88Å; F379-F389 HydrophobicContact CB-CE1 3.6Å; F379-F389 HydrophobicContact CB-CE2 4.32Å; F379-F389 HydrophobicContact CB-CZ 3.42Å; F379-F389 VanDerWaalsContact CB-CZ 3.42Å; F379-F389 HydrophobicContact CD1-CD1 4.09Å; F379-F389 AromaticContact CD1-CE1 3.83Å; F379-F389 HydrophobicContact CD1-CE1 3.83Å; F379-F389 HydrophobicContact CD1-CZ 4.19Å; F379-F389 HydrophobicContact CD2-CD1 4.31Å; F379-F389 AromaticContact CD2-CE1 3.67Å; F379-F389 HydrophobicContact CD2-CE1 3.67Å; F379-F389 HydrophobicContact CD2-CZ 4.39Å; F379-F389 HydrophobicContact CE1-CD1 4.3Å; F379-F389 HydrophobicContact CE1-CE1 4.42Å; F379-F389 HydrophobicContact CE2-CE1 4.27Å; F379-F389 HydrophobicContact CG-CD1 4.1Å; F379-F389 AromaticContact CG-CE1 3.42Å; F379-F389 HydrophobicContact CG-CE1 3.42Å; F379-F389 VanDerWaalsContact CG-CE1 3.42Å; F379-F389 AromaticContact CG-CZ 3.77Å; F379-F389 HydrophobicContact CG-CZ 3.77Å; F379-W392 HydrophobicContact CE1-CB 4.35Å; F379-W392 AromaticContact CE1-CD1 3.5Å; F379-W392 HydrophobicContact CE1-CD2 4.28Å; F379-W392 AromaticContact CE1-CG 3.8Å; F379-W392 HydrophobicContact CE1-CG 3.8Å; F379-W392 AromaticContact CE1-NE1 3.72Å; F379-W392 HydrophobicContact CZ-CB 4.25Å; F379-W392 AromaticContact CZ-CD1 3.99Å; F379-W392 HydrophobicContact CZ-CD2 4.03Å; F379-W392 AromaticContact CZ-CG 3.83Å; F379-W392 HydrophobicContact CZ-CG 3.83Å
380	K	97.2	Very high	98	Very high	37 Å²	37	28.3 Å²	28.3	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-55.2	-29.2	-177	71.4	-172.7	-172	-167.7	0	116.5	M329 H333 E357 E359 N383 S384	M329-K380 HydrophobicContact CE-CB 3.7Å; H333-K380 PolarHBondContact CE1-O 3.03Å; H333-K380 PolarHBondContact NE2-O 2.92Å; E357-K380 PolarHBondContact OE1-N 3.41Å; E359-K380 IonicContact OE1-NZ 2.95Å; E359-K380 PolarHBondContact OE1-NZ 3.11Å; E359-K380 WeakPolarHBondContact OE2-CD 3.37Å; E359-K380 IonicContact OE2-NZ 3.66Å; E359-K380 PolarHBondContact OE2-NZ 3.25Å; K380-N383 WeakPolarHBondContact O-CB 3.41Å; K380-S384 PolarHBondContact O-OG 2.76Å
381	Y	98.1	Very high	98	Very high	56 Å²	56	27.1 Å²	27.1	22%	0.22	14%	0.142	C	C	.	.	H	α-helix	trans	-77.5	-34.4	177.5	-66.4	-90.2	0	0	0	111.1	H104 L107 L108 Q111 F379 N383 S384	H104-Y381 HydrophobicContact CB-CD1 4.32Å; H104-Y381 AromaticContact CD2-CD1 3.67Å; H104-Y381 AromaticContact CE1-CD1 3.53Å; H104-Y381 AromaticContact CG-CD1 3.6Å; H104-Y381 AromaticContact ND1-CD1 3.53Å; H104-Y381 AromaticContact ND1-CE1 3.8Å; H104-Y381 AromaticContact NE2-CD1 3.61Å; L107-Y381 HydrophobicContact CB-CD1 4.09Å; L107-Y381 HydrophobicContact CB-CD2 3.77Å; L107-Y381 HydrophobicContact CB-CE1 4.48Å; L107-Y381 HydrophobicContact CB-CE2 4.19Å; L107-Y381 HydrophobicContact CB-CG 3.73Å; L107-Y381 HydrophobicContact CD1-CD1 4.24Å; L107-Y381 HydrophobicContact CD1-CD2 4.1Å; L107-Y381 HydrophobicContact CD1-CE1 3.79Å; L107-Y381 HydrophobicContact CD1-CE2 3.62Å; L107-Y381 HydrophobicContact CD1-CG 4.4Å; L107-Y381 VanDerWaalsContact CD1-CZ 3.45Å; L107-Y381 HydrophobicContact CG-CD2 4.5Å; L107-Y381 HydrophobicContact CG-CE2 4.44Å; L108-Y381 WeakPolarHBondContact CD1-O 3.4Å; Q111-Y381 VanDerWaalsContact OE1-CB 3.29Å; F379-Y381 VanDerWaalsContact C-N 3.26Å; F379-Y381 PolarHBondContact O-N 2.86Å; F379-Y381 VanDerWaalsContact O-N 3.09Å; Y381-N383 VanDerWaalsContact C-N 3.31Å; Y381-S384 VanDerWaalsContact O-CB 3.26Å; Y381-S384 WeakPolarHBondContact O-CB 3.4Å; Y381-S384 PolarHBondContact O-N 3.24Å; Y381-S384 PolarHBondContact O-OG 3.34Å
382	A	98.1	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-32.1	170.2	0	0	0	0	0	113.1	L108 V112 F379 S384 W392	L108-A382 HydrophobicContact CG-CB 4.32Å; V112-A382 HydrophobicContact CG2-CB 3.99Å; F379-A382 HydrophobicContact CD1-CB 3.82Å; F379-A382 HydrophobicContact CD2-CB 4.18Å; F379-A382 HydrophobicContact CE1-CB 3.6Å; F379-A382 HydrophobicContact CE2-CB 3.98Å; F379-A382 HydrophobicContact CG-CB 4.1Å; F379-A382 HydrophobicContact CZ-CB 3.68Å; F379-A382 WeakPolarHBondContact O-CB 3.34Å; F379-A382 PolarHBondContact O-N 3.24Å; A382-S384 PolarHBondContact O-N 3.49Å; A382-W392 HydrophobicContact CB-CZ2 3.86Å; A382-W392 PolarHBondContact O-NE1 3.49Å
383	N	97.7	Very high	98.1	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-32.9	171.9	-70.8	2.2	0	0	0	112.9	M335 L342 F379 K380 Y381 I385 G386 G387	M335-N383 HydrophobicContact CE-CB 4.19Å; M335-N383 WeakPolarHBondContact CE-O 3.2Å; M335-N383 HydrophobicContact SD-CB 4.11Å; L342-N383 HydrophobicContact CD1-CB 3.82Å; F379-N383 WeakPolarHBondContact CD1-OD1 3.39Å; F379-N383 PolarHBondContact O-N 3.31Å; F379-N383 PolarHBondContact O-OD1 2.88Å; K380-N383 WeakPolarHBondContact O-CB 3.41Å; Y381-N383 VanDerWaalsContact C-N 3.31Å; N383-I385 PolarHBondContact O-N 3.4Å; N383-G386 PolarHBondContact O-N 3.32Å; N383-G387 WeakPolarHBondContact CA-O 3.36Å; N383-G387 PolarHBondContact OD1-O 2.77Å
384	S	97.2	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.1	-171	-59.3	0	0	0	0	115.3	H104 H333 E334 W336 L337 K380 Y381 A382	H104-S384 PolarHBondContact CE1-OG 3.34Å; H104-S384 VanDerWaalsContact CE1-OG 3.25Å; H104-S384 VanDerWaalsContact NE2-CB 3.32Å; H104-S384 WeakPolarHBondContact NE2-CB 3.21Å; H104-S384 PolarHBondContact NE2-OG 3.36Å; H333-S384 PolarHBondContact NE2-OG 3.28Å; H333-S384 VanDerWaalsContact NE2-OG 3.15Å; E334-S384 WeakPolarHBondContact O-CB 3.29Å; E334-S384 PolarHBondContact O-OG 3.04Å; W336-S384 VanDerWaalsContact CZ3-CB 3.48Å; W336-S384 PolarHBondContact N-O 2.97Å; L337-S384 PolarHBondContact N-O 2.92Å; K380-S384 PolarHBondContact O-OG 2.76Å; Y381-S384 VanDerWaalsContact O-CB 3.26Å; Y381-S384 WeakPolarHBondContact O-CB 3.4Å; Y381-S384 PolarHBondContact O-N 3.24Å; Y381-S384 PolarHBondContact O-OG 3.34Å; A382-S384 PolarHBondContact O-N 3.49Å
385	I	96.7	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-101.9	12.4	178.4	67.3	168.4	0	0	0	113.8	W96 L108 Y149 A151 M152 W336 N383 W392	W96-I385 HydrophobicContact CD2-CG2 4.01Å; W96-I385 HydrophobicContact CE3-CG2 3.95Å; W96-I385 HydrophobicContact CZ3-CG2 4.23Å; L108-I385 HydrophobicContact CD1-CD1 4.05Å; L108-I385 HydrophobicContact CD1-CG1 4.08Å; L108-I385 HydrophobicContact CD1-CG2 3.92Å; Y149-I385 HydrophobicContact CD2-CD1 4.16Å; Y149-I385 HydrophobicContact CE2-CB 4.42Å; Y149-I385 HydrophobicContact CE2-CD1 4.13Å; Y149-I385 HydrophobicContact CE2-CG1 4.37Å; Y149-I385 WeakPolarHBondContact CE2-O 3.32Å; Y149-I385 PolarHBondContact OH-O 3.17Å; A151-I385 HydrophobicContact CB-CD1 4.12Å; M152-I385 HydrophobicContact CE-CG1 4.26Å; W336-I385 HydrophobicContact CE3-CG2 4.22Å; N383-I385 PolarHBondContact O-N 3.4Å; I385-W392 HydrophobicContact CD1-CH2 3.99Å; I385-W392 HydrophobicContact CD1-CZ2 3.76Å; I385-W392 HydrophobicContact CG1-CZ2 3.93Å
386	G	95.7	Very high	98.1	Very high	9 Å²	9	16.3 Å²	16.3	9%	0.093	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	129.5	-2.7	159	0	0	0	0	0	118.5	L337 N383	L337-G386 WeakPolarHBondContact O-CA 3.48Å; N383-G386 PolarHBondContact O-N 3.32Å
387	G	97.6	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.065	C	C	.	.			trans	-154.6	149.9	-169.3	0	0	0	0	0	114.4	M152 N383 W392	M152-G387 VanDerWaalsContact CE-N 3.27Å; N383-G387 WeakPolarHBondContact CA-O 3.36Å; N383-G387 PolarHBondContact OD1-O 2.77Å; G387-W392 PolarHBondContact O-NE1 3.27Å
388	G	98.2	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.065	C	C	.	.			trans	-95.7	-160.4	170.5	0	0	0	0	0	111.2	N345 H390 C391 W392	N345-G388 CarbonylContact O-C 3.58Å; N345-G388 WeakPolarHBondContact OD1-CA 3.36Å; N345-G388 PolarHBondContact OD1-N 3.37Å; N345-G388 PolarHBondContact OD1-O 2.99Å; G388-H390 VanDerWaalsContact C-N 3.27Å; G388-H390 PolarHBondContact O-N 3.34Å; G388-C391 PolarHBondContact O-N 3.43Å; G388-W392 WeakPolarHBondContact O-CB 3.44Å; G388-W392 PolarHBondContact O-N 3.03Å
389	F	98.8	Very high	98.1	Very high	5 Å²	5	14.4 Å²	14.4	2%	0.022	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35	-173.7	-55.2	-76	0	0	0	113.2	F115 N345 L347 V355 E357 V377 F379 T393	F115-F389 HydrophobicContact CD1-CD1 4.38Å; F115-F389 AromaticContact CD2-CD1 3.96Å; F115-F389 HydrophobicContact CD2-CD1 3.96Å; F115-F389 HydrophobicContact CD2-CE1 4.16Å; F115-F389 HydrophobicContact CE1-CD1 4.13Å; F115-F389 AromaticContact CE2-CD1 3.71Å; F115-F389 HydrophobicContact CE2-CD1 3.71Å; F115-F389 HydrophobicContact CE2-CE1 4.31Å; F115-F389 HydrophobicContact CG-CD1 4.3Å; F115-F389 HydrophobicContact CG-CE1 4.46Å; F115-F389 HydrophobicContact CZ-CB 4.28Å; F115-F389 AromaticContact CZ-CD1 3.78Å; F115-F389 HydrophobicContact CZ-CD1 3.78Å; F115-F389 HydrophobicContact CZ-CG 4.49Å; N345-F389 PolarHBondContact O-N 2.85Å; L347-F389 HydrophobicContact CB-CB 3.73Å; V355-F389 HydrophobicContact CB-CG 4.43Å; V355-F389 HydrophobicContact CG1-CD1 3.64Å; V355-F389 HydrophobicContact CG1-CD2 4.14Å; V355-F389 HydrophobicContact CG1-CE1 3.68Å; V355-F389 HydrophobicContact CG1-CE2 4.2Å; V355-F389 HydrophobicContact CG1-CG 3.87Å; V355-F389 HydrophobicContact CG1-CZ 3.96Å; E357-F389 HydrophobicContact CB-CE2 4.32Å; V377-F389 HydrophobicContact CB-CE1 3.73Å; V377-F389 HydrophobicContact CB-CZ 3.78Å; V377-F389 HydrophobicContact CG1-CE1 3.81Å; V377-F389 HydrophobicContact CG1-CZ 4.24Å; V377-F389 HydrophobicContact CG2-CE1 4.45Å; F379-F389 HydrophobicContact CB-CE1 3.6Å; F379-F389 HydrophobicContact CB-CE2 4.32Å; F379-F389 HydrophobicContact CB-CZ 3.42Å; F379-F389 VanDerWaalsContact CB-CZ 3.42Å; F379-F389 HydrophobicContact CD1-CD1 4.09Å; F379-F389 AromaticContact CD1-CE1 3.83Å; F379-F389 HydrophobicContact CD1-CE1 3.83Å; F379-F389 HydrophobicContact CD1-CZ 4.19Å; F379-F389 HydrophobicContact CD2-CD1 4.31Å; F379-F389 AromaticContact CD2-CE1 3.67Å; F379-F389 HydrophobicContact CD2-CE1 3.67Å; F379-F389 HydrophobicContact CD2-CZ 4.39Å; F379-F389 HydrophobicContact CE1-CD1 4.3Å; F379-F389 HydrophobicContact CE1-CE1 4.42Å; F379-F389 HydrophobicContact CE2-CE1 4.27Å; F379-F389 HydrophobicContact CG-CD1 4.1Å; F379-F389 AromaticContact CG-CE1 3.42Å; F379-F389 HydrophobicContact CG-CE1 3.42Å; F379-F389 VanDerWaalsContact CG-CE1 3.42Å; F379-F389 AromaticContact CG-CZ 3.77Å; F379-F389 HydrophobicContact CG-CZ 3.77Å; F389-T393 WeakPolarHBondContact O-CB 3.27Å; F389-T393 VanDerWaalsContact O-CG2 3.32Å; F389-T393 WeakPolarHBondContact O-CG2 3.36Å; F389-T393 PolarHBondContact O-N 2.92Å; F389-T393 PolarHBondContact O-OG1 2.76Å
390	H	98.8	Very high	98.1	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.056	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-44.7	178.6	-167.4	-103.7	0	0	0	111.8	E52 R154 D289 N345 V346 G388 T393	E52-H390 IonicContact OE2-NE2 3.7Å; R154-H390 WeakPolarHBondContact CB-O 3.44Å; R154-H390 VanDerWaalsContact CD-CE1 3.45Å; R154-H390 WeakPolarHBondContact CD-CE1 3.21Å; R154-H390 PolarHBondContact NE-CE1 3.31Å; R154-H390 PolarHBondContact NE-O 3.2Å; D289-H390 VanDerWaalsContact CB-ND1 3.27Å; D289-H390 WeakPolarHBondContact CB-ND1 3.4Å; D289-H390 IonicContact OD2-CE1 3.25Å; D289-H390 IonicContact OD2-CG 3.23Å; D289-H390 IonicContact OD2-ND1 2.92Å; D289-H390 PolarHBondContact OD2-ND1 3.28Å; N345-H390 PolarHBondContact O-N 2.96Å; N345-H390 PolarHBondContact OD1-N 3.3Å; V346-H390 WeakPolarHBondContact O-CB 3.36Å; G388-H390 VanDerWaalsContact C-N 3.27Å; G388-H390 PolarHBondContact O-N 3.34Å; H390-T393 PolarHBondContact O-N 3.19Å; H390-T393 PolarHBondContact O-OG1 2.75Å
391	C	98.7	Very high	98	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.02	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-43.9	178.3	-58.3	0	0	0	0	112.1	M152 R154 D289 N345 G388 T393	M152-C391 CarbonylContact C-O 3.52Å; M152-C391 VanDerWaalsContact CA-O 3.23Å; M152-C391 WeakPolarHBondContact CA-O 3.43Å; M152-C391 HydrophobicContact CG-CB 4.48Å; M152-C391 HydrophobicContact SD-CB 3.67Å; R154-C391 WeakPolarHBondContact CB-O 3.35Å; R154-C391 PolarHBondContact N-O 3.32Å; D289-C391 PolarHBondContact OD2-SG 3.02Å; N345-C391 VanDerWaalsContact CG-SG 3.59Å; N345-C391 PolarHBondContact ND2-SG 3Å; N345-C391 VanDerWaalsContact ND2-SG 3.41Å; N345-C391 PolarHBondContact OD1-N 2.75Å; N345-C391 VanDerWaalsContact OD1-N 3.14Å; N345-C391 PolarHBondContact OD1-SG 2.82Å; G388-C391 PolarHBondContact O-N 3.43Å; C391-T393 PolarHBondContact O-N 2.89Å
392	W	98.8	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-4.7	179.9	-84.5	85.2	0	0	0	113.9	G62 P64 L108 V112 A151 M152 P153 F379 A382 I385 G387 G388	G62-W392 PolarHBondContact N-O 3.19Å; P64-W392 HydrophobicContact CB-CH2 4.19Å; L108-W392 HydrophobicContact CD2-CH2 4.39Å; V112-W392 HydrophobicContact CB-CZ3 4.31Å; V112-W392 HydrophobicContact CG1-CE3 4.19Å; V112-W392 HydrophobicContact CG1-CZ3 3.88Å; V112-W392 HydrophobicContact CG2-CD2 4.45Å; V112-W392 HydrophobicContact CG2-CE3 3.93Å; V112-W392 HydrophobicContact CG2-CH2 3.43Å; V112-W392 VanDerWaalsContact CG2-CH2 3.43Å; V112-W392 HydrophobicContact CG2-CZ2 3.99Å; V112-W392 HydrophobicContact CG2-CZ3 3.4Å; V112-W392 VanDerWaalsContact CG2-CZ3 3.4Å; A151-W392 HydrophobicContact CB-CE3 4.34Å; A151-W392 HydrophobicContact CB-CH2 3.85Å; A151-W392 HydrophobicContact CB-CZ2 4.21Å; A151-W392 HydrophobicContact CB-CZ3 3.91Å; M152-W392 HydrophobicContact CE-CD2 4.47Å; M152-W392 HydrophobicContact CE-CZ2 4.29Å; M152-W392 HydrophobicContact SD-CD2 4.25Å; M152-W392 HydrophobicContact SD-CG 3.95Å; P153-W392 WeakPolarHBondContact CD-O 3.5Å; P153-W392 WeakPolarHBondContact CG-O 3.32Å; F379-W392 HydrophobicContact CE1-CB 4.35Å; F379-W392 AromaticContact CE1-CD1 3.5Å; F379-W392 HydrophobicContact CE1-CD2 4.28Å; F379-W392 AromaticContact CE1-CG 3.8Å; F379-W392 HydrophobicContact CE1-CG 3.8Å; F379-W392 AromaticContact CE1-NE1 3.72Å; F379-W392 HydrophobicContact CZ-CB 4.25Å; F379-W392 AromaticContact CZ-CD1 3.99Å; F379-W392 HydrophobicContact CZ-CD2 4.03Å; F379-W392 AromaticContact CZ-CG 3.83Å; F379-W392 HydrophobicContact CZ-CG 3.83Å; A382-W392 HydrophobicContact CB-CZ2 3.86Å; A382-W392 PolarHBondContact O-NE1 3.49Å; I385-W392 HydrophobicContact CD1-CH2 3.99Å; I385-W392 HydrophobicContact CD1-CZ2 3.76Å; I385-W392 HydrophobicContact CG1-CZ2 3.93Å; G387-W392 PolarHBondContact O-NE1 3.27Å; G388-W392 WeakPolarHBondContact O-CB 3.44Å; G388-W392 PolarHBondContact O-N 3.03Å
393	T	98.9	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.9	-174.8	64.6	0	0	0	0	115.1	I59 I60 V61 F115 R154 L347 F389 H390 C391	I59-T393 HydrophobicContact CD1-CG2 3.91Å; I59-T393 HydrophobicContact CG1-CG2 4.25Å; I60-T393 CarbonylContact O-C 3.55Å; I60-T393 WeakPolarHBondContact O-CA 3.24Å; V61-T393 HydrophobicContact CG2-CG2 4.04Å; F115-T393 HydrophobicContact CE1-CG2 3.58Å; F115-T393 HydrophobicContact CZ-CG2 3.82Å; R154-T393 WeakPolarHBondContact CB-O 3.31Å; R154-T393 PolarHBondContact NE-O 3.25Å; R154-T393 PolarHBondContact NH2-O 3.49Å; L347-T393 HydrophobicContact CD2-CG2 4.32Å; F389-T393 WeakPolarHBondContact O-CB 3.27Å; F389-T393 VanDerWaalsContact O-CG2 3.32Å; F389-T393 WeakPolarHBondContact O-CG2 3.36Å; F389-T393 PolarHBondContact O-N 2.92Å; F389-T393 PolarHBondContact O-OG1 2.76Å; H390-T393 PolarHBondContact O-N 3.19Å; H390-T393 PolarHBondContact O-OG1 2.75Å; C391-T393 PolarHBondContact O-N 2.89Å
394	C	98.9	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.8	169.6	179.5	0	0	0	0	108.7	I59 I60 P153 L157 I159 I396	I59-C394 WeakPolarHBondContact CG1-O 3.39Å; I60-C394 HydrophobicContact CB-CB 4.29Å; I60-C394 PolarHBondContact N-O 2.86Å; I60-C394 PolarHBondContact O-N 3.34Å; P153-C394 HydrophobicContact CB-CB 3.77Å; P153-C394 HydrophobicContact CG-CB 4.22Å; L157-C394 HydrophobicContact CB-CB 4.46Å; I159-C394 WeakPolarHBondContact CG1-SG 3.43Å; C394-I396 PolarHBondContact O-N 3.45Å
395	D	98.8	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	103.2	-176.3	59.1	-62.1	0	0	0	110.9	S49 L56 R154 R243 R398	S49-D395 WeakPolarHBondContact CB-O 3.48Å; S49-D395 PolarHBondContact OG-OD2 3.27Å; L56-D395 HydrophobicContact CD1-CB 3.55Å; R154-D395 IonicContact CZ-OD1 3.32Å; R154-D395 VanDerWaalsContact CZ-OD1 3.23Å; R154-D395 IonicContact NH1-OD1 2.72Å; R154-D395 PolarHBondContact NH1-OD1 2.85Å; R154-D395 IonicContact NH2-OD1 3.21Å; R154-D395 PolarHBondContact NH2-OD1 3.47Å; R243-D395 IonicContact CZ-OD1 3.65Å; R243-D395 IonicContact CZ-OD2 2.91Å; R243-D395 IonicContact NH1-OD2 3.94Å; R243-D395 IonicContact NH2-OD1 3.23Å; R243-D395 PolarHBondContact NH2-OD1 2.96Å; R243-D395 IonicContact NH2-OD2 3.81Å; R243-D395 PolarHBondContact NH2-OD2 3.46Å; D395-R398 WeakPolarHBondContact OD2-CD 3.28Å; D395-R398 IonicContact OD2-CZ 2.69Å; D395-R398 IonicContact OD2-NE 3.91Å; D395-R398 PolarHBondContact OD2-NE 3.33Å; D395-R398 IonicContact OD2-NH2 2.7Å
396	I	98.8	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-34.7	-177.5	-62.6	-53.2	0	0	0	111.1	V47 N48 E58 I60 I159 Y188 C394	V47-I396 WeakPolarHBondContact CA-O 3.44Å; V47-I396 HydrophobicContact CB-CG2 4.34Å; V47-I396 HydrophobicContact CG1-CG2 4.45Å; V47-I396 HydrophobicContact CG2-CG2 3.92Å; N48-I396 PolarHBondContact N-O 3.18Å; E58-I396 HydrophobicContact CB-CB 4.45Å; E58-I396 HydrophobicContact CG-CB 4.29Å; E58-I396 PolarHBondContact O-N 3.02Å; I60-I396 HydrophobicContact CD1-CD1 3.69Å; I60-I396 HydrophobicContact CD1-CG1 4.11Å; I60-I396 HydrophobicContact CG1-CD1 3.97Å; I60-I396 HydrophobicContact CG1-CG1 3.81Å; I159-I396 HydrophobicContact CD1-CD1 3.81Å; I159-I396 HydrophobicContact CG1-CD1 4.15Å; Y188-I396 HydrophobicContact CD1-CG2 4.49Å; Y188-I396 HydrophobicContact CE1-CG2 3.94Å; Y188-I396 HydrophobicContact CE2-CD1 4.16Å; Y188-I396 HydrophobicContact CE2-CG1 4.12Å; Y188-I396 HydrophobicContact CE2-CG2 4.14Å; C394-I396 PolarHBondContact O-N 3.45Å
397	R	98.7	Very high	98	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.166	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	124.4	-172.8	-171.2	172.8	-112.2	-94.7	0.6	112.3	S45 P46 N48 E57 E58	S45-R397 PolarHBondContact O-NH2 3.45Å; P46-R397 WeakPolarHBondContact O-CD 3.21Å; P46-R397 PolarHBondContact O-NE 3.21Å; N48-R397 CarbonylContact O-C 3.55Å; N48-R397 VanDerWaalsContact O-CA 3.28Å; N48-R397 WeakPolarHBondContact O-CA 3.48Å; E57-R397 HydrophobicContact CB-CB 4.23Å; E57-R397 HydrophobicContact CB-CG 3.9Å; E57-R397 HydrophobicContact CG-CG 4.38Å; E57-R397 PolarHBondContact N-O 3.44Å; E57-R397 WeakPolarHBondContact OE2-CD 3.5Å; E57-R397 VanDerWaalsContact OE2-CG 3.22Å; E57-R397 WeakPolarHBondContact OE2-CG 3.31Å; E57-R397 IonicContact OE2-CZ 3.7Å; E57-R397 IonicContact OE2-NE 3.86Å; E57-R397 IonicContact OE2-NH1 3.88Å; E57-R397 PolarHBondContact OE2-NH1 3.47Å; E58-R397 HydrophobicContact CB-CB 3.88Å; E58-R397 PolarHBondContact N-O 3.01Å; E58-R397 PolarHBondContact O-N 2.91Å; E58-R397 VanDerWaalsContact O-N 3.08Å
398	R	98.8	Very high	97.8	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.3	168	-65.1	-179.9	179	-85.7	2.9	109.7	N48 N51 E52 D54 P55 L56 M348 D395 G400	N48-R398 PolarHBondContact O-N 2.98Å; N48-R398 VanDerWaalsContact O-O 3.12Å; N51-R398 WeakPolarHBondContact O-CD 3.27Å; N51-R398 PolarHBondContact O-NE 3.14Å; E52-R398 PolarHBondContact O-NH1 3.35Å; E52-R398 PolarHBondContact O-NH2 3.33Å; D54-R398 HydrophobicContact CB-CB 3.77Å; D54-R398 WeakPolarHBondContact O-CD 3.44Å; D54-R398 WeakPolarHBondContact O-CG 3.24Å; D54-R398 PolarHBondContact O-NH1 3.5Å; P55-R398 CarbonylContact O-C 3.48Å; P55-R398 WeakPolarHBondContact O-CA 3.22Å; L56-R398 HydrophobicContact CD1-CG 4.02Å; M348-R398 PolarHBondContact O-NH1 2.96Å; M348-R398 PolarHBondContact O-NH2 3.49Å; D395-R398 WeakPolarHBondContact OD2-CD 3.28Å; D395-R398 IonicContact OD2-CZ 2.69Å; D395-R398 IonicContact OD2-NE 3.91Å; D395-R398 PolarHBondContact OD2-NE 3.33Å; D395-R398 IonicContact OD2-NH2 2.7Å; R398-G400 PolarHBondContact O-N 2.83Å
399	Q	98.3	Very high	97.4	Very high	131 Å²	131	40 Å²	40	61%	0.612	21%	0.209	S	C	*	.	S	Bend	trans	-77.4	84.8	178.9	-166.5	-176	8.1	0	0	110.4	P55 E57	P55-Q399 HydrophobicContact CB-CB 4.18Å; P55-Q399 PolarHBondContact O-N 3.06Å; E57-Q399 HydrophobicContact CG-CB 4.34Å; E57-Q399 WeakPolarHBondContact OE1-CB 3.36Å
400	G	96.7	Very high	96.6	Very high	23 Å²	23	46.7 Å²	46.7	24%	0.237	24%	0.238	C	C	.	.			trans	-150.4	175.4	-173	0	0	0	0	0	114.2	D54 R398	D54-G400 WeakPolarHBondContact OD2-CA 3.27Å; R398-G400 PolarHBondContact O-N 2.83Å
401	K	96.8	Very high	95.8	Very high	164 Å²	164	47.6 Å²	47.6	71%	0.713	25%	0.25	S	C	*	.			trans	-124.6	162.6	170.2	-66.2	-179.9	-175.1	172.6	0	109.2	E403	K401-E403 PolarHBondContact O-N 3.09Å
402	L	98.2	Very high	95.1	Very high	43 Å²	43	53 Å²	53	23%	0.225	28%	0.275	C	S	.	.			trans	-71	110.4	172.1	178.3	57.1	0	0	0	110	W50 R246	W50-L402 HydrophobicContact CD2-CB 3.91Å; W50-L402 HydrophobicContact CD2-CD1 4.1Å; W50-L402 HydrophobicContact CE3-CB 4.16Å; W50-L402 HydrophobicContact CE3-CD1 3.64Å; W50-L402 HydrophobicContact CE3-CD2 4.43Å; W50-L402 HydrophobicContact CE3-CG 4.28Å; W50-L402 HydrophobicContact CG-CB 4.38Å; W50-L402 HydrophobicContact CH2-CB 4.33Å; W50-L402 HydrophobicContact CH2-CD2 4.1Å; W50-L402 HydrophobicContact CZ2-CB 4.13Å; W50-L402 HydrophobicContact CZ3-CB 4.36Å; W50-L402 HydrophobicContact CZ3-CD1 3.99Å; W50-L402 HydrophobicContact CZ3-CD2 3.99Å; W50-L402 HydrophobicContact CZ3-CG 4.34Å; R246-L402 HydrophobicContact CB-CD1 4.44Å; R246-L402 HydrophobicContact CG-CD1 3.6Å; R246-L402 HydrophobicContact CG-CD2 4.37Å; R246-L402 HydrophobicContact CG-CG 3.9Å
403	E	98.1	Very high	94.6	Very high	97 Å²	97	53.4 Å²	53.4	45%	0.453	28%	0.277	S	S	.	.			trans	-122.4	168.7	178.7	-60.2	-177.8	130.4	0	0	111.6	G245 R246 K401 Y405	G245-E403 WeakPolarHBondContact CA-O 3.45Å; R246-E403 WeakPolarHBondContact CG-O 3.44Å; R246-E403 PolarHBondContact N-O 3.1Å; K401-E403 PolarHBondContact O-N 3.09Å; E403-Y405 HydrophobicContact CB-CE1 3.93Å; E403-Y405 HydrophobicContact CB-CE2 4.1Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.37Å; E403-Y405 PolarHBondContact OE2-OH 3.16Å
404	S	97.4	Very high	93.6	Very high	75 Å²	75	57.9 Å²	57.9	52%	0.524	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-108.8	129	172.2	-165.2	0	0	0	0	108.3
405	Y	97.6	Very high	92.4	Very high	35 Å²	35	67.9 Å²	67.9	14%	0.137	34%	0.344	C	S	.	.			trans	-115.7	-0	-177.8	-54.9	-73.6	0	0	0	113.5	N51 W53 A244 P297 W319 E403	N51-Y405 HydrophobicContact CB-CE2 4.49Å; N51-Y405 PolarHBondContact ND2-OH 3.09Å; N51-Y405 VanDerWaalsContact ND2-OH 3.13Å; W53-Y405 AromaticContact CH2-CD2 3.98Å; W53-Y405 HydrophobicContact CH2-CD2 3.98Å; W53-Y405 HydrophobicContact CH2-CE2 4.16Å; W53-Y405 HydrophobicContact CH2-CG 4.44Å; W53-Y405 HydrophobicContact CZ2-CD1 4.2Å; W53-Y405 AromaticContact CZ2-CD2 3.62Å; W53-Y405 HydrophobicContact CZ2-CD2 3.62Å; W53-Y405 HydrophobicContact CZ2-CE1 4.1Å; W53-Y405 AromaticContact CZ2-CE2 3.49Å; W53-Y405 HydrophobicContact CZ2-CE2 3.49Å; W53-Y405 VanDerWaalsContact CZ2-CE2 3.49Å; W53-Y405 AromaticContact CZ2-CG 3.97Å; W53-Y405 HydrophobicContact CZ2-CG 3.97Å; W53-Y405 AromaticContact CZ2-CZ 3.74Å; A244-Y405 HydrophobicContact CB-CD2 4.27Å; A244-Y405 WeakPolarHBondContact O-CD2 2.97Å; P297-Y405 HydrophobicContact CB-CD1 3.85Å; P297-Y405 HydrophobicContact CB-CE1 4.22Å; P297-Y405 HydrophobicContact CG-CD1 3.97Å; P297-Y405 HydrophobicContact CG-CE1 3.84Å; W319-Y405 PolarHBondContact NE1-O 2.61Å; E403-Y405 HydrophobicContact CB-CE1 3.93Å; E403-Y405 HydrophobicContact CB-CE2 4.1Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.37Å; E403-Y405 PolarHBondContact OE2-OH 3.16Å
406	F	96.6	Very high	91.1	Very high	12 Å²	12	70.6 Å²	70.6	5%	0.053	36%	0.358	C	S	.	.			trans	-120.1	130.9	-178.2	-67.7	-95.7	0	0	0	110.6	A244 D247 F249 I314 A317 W319 W408	A244-F406 HydrophobicContact CB-CD2 4.44Å; A244-F406 HydrophobicContact CB-CE2 3.59Å; A244-F406 HydrophobicContact CB-CZ 4.45Å; D247-F406 HydrophobicContact CB-CD2 3.9Å; D247-F406 HydrophobicContact CB-CE2 4.23Å; F249-F406 HydrophobicContact CE1-CE1 4.44Å; F249-F406 HydrophobicContact CE1-CZ 4.48Å; F249-F406 HydrophobicContact CE2-CD2 4.3Å; F249-F406 HydrophobicContact CE2-CE1 4.04Å; F249-F406 AromaticContact CE2-CE2 3.47Å; F249-F406 HydrophobicContact CE2-CE2 3.47Å; F249-F406 VanDerWaalsContact CE2-CE2 3.47Å; F249-F406 AromaticContact CE2-CZ 3.32Å; F249-F406 HydrophobicContact CE2-CZ 3.32Å; F249-F406 HydrophobicContact CZ-CD1 4.03Å; F249-F406 HydrophobicContact CZ-CD2 4.09Å; F249-F406 AromaticContact CZ-CE1 3.51Å; F249-F406 HydrophobicContact CZ-CE1 3.51Å; F249-F406 AromaticContact CZ-CE2 3.59Å; F249-F406 HydrophobicContact CZ-CE2 3.59Å; F249-F406 HydrophobicContact CZ-CG 4.31Å; F249-F406 AromaticContact CZ-CZ 3.28Å; F249-F406 HydrophobicContact CZ-CZ 3.28Å; I314-F406 HydrophobicContact CG2-CE1 4.36Å; A317-F406 HydrophobicContact CB-CB 4.26Å; A317-F406 HydrophobicContact CB-CD1 3.87Å; W319-F406 AromaticContact CD1-CD1 3.56Å; W319-F406 AromaticContact CD1-CE1 3.35Å; W319-F406 AromaticContact CD1-CZ 3.88Å; W319-F406 AromaticContact CD2-CE1 3.93Å; W319-F406 HydrophobicContact CD2-CE1 3.93Å; W319-F406 AromaticContact CD2-CZ 3.81Å; W319-F406 HydrophobicContact CD2-CZ 3.81Å; W319-F406 AromaticContact CE2-CE1 3.63Å; W319-F406 AromaticContact CE2-CE2 3.67Å; W319-F406 AromaticContact CE2-CZ 3.26Å; W319-F406 HydrophobicContact CG-CD1 4.39Å; W319-F406 AromaticContact CG-CE1 3.78Å; W319-F406 HydrophobicContact CG-CE1 3.78Å; W319-F406 HydrophobicContact CG-CZ 4.18Å; W319-F406 HydrophobicContact CH2-CZ 4.3Å; W319-F406 HydrophobicContact CZ2-CD2 4.47Å; W319-F406 HydrophobicContact CZ2-CE1 4.36Å; W319-F406 AromaticContact CZ2-CE2 3.62Å; W319-F406 HydrophobicContact CZ2-CE2 3.62Å; W319-F406 AromaticContact CZ2-CZ 3.55Å; W319-F406 HydrophobicContact CZ2-CZ 3.55Å; W319-F406 AromaticContact NE1-CD1 3.49Å; W319-F406 AromaticContact NE1-CD2 3.87Å; W319-F406 AromaticContact NE1-CE1 3.26Å; W319-F406 VanDerWaalsContact NE1-CE1 3.26Å; W319-F406 AromaticContact NE1-CE2 3.63Å; W319-F406 AromaticContact NE1-CG 3.78Å; W319-F406 AromaticContact NE1-CZ 3.32Å; W319-F406 VanDerWaalsContact NE1-CZ 3.32Å; F406-W408 HydrophobicContact CB-CD2 3.98Å; F406-W408 HydrophobicContact CB-CG 4.47Å; F406-W408 HydrophobicContact CB-CH2 4.07Å; F406-W408 HydrophobicContact CB-CZ2 3.41Å; F406-W408 VanDerWaalsContact CB-CZ2 3.41Å; F406-W408 AromaticContact CD1-CH2 3.54Å; F406-W408 HydrophobicContact CD1-CH2 3.54Å; F406-W408 AromaticContact CD1-CZ2 3.6Å; F406-W408 HydrophobicContact CD1-CZ2 3.6Å; F406-W408 HydrophobicContact CD1-CZ3 4.29Å; F406-W408 HydrophobicContact CD2-CZ2 4.21Å; F406-W408 HydrophobicContact CE1-CH2 4.24Å; F406-W408 HydrophobicContact CE1-CZ2 4.45Å; F406-W408 AromaticContact CG-CE2 3.96Å; F406-W408 AromaticContact CG-CH2 3.93Å; F406-W408 HydrophobicContact CG-CH2 3.93Å; F406-W408 AromaticContact CG-CZ2 3.46Å; F406-W408 HydrophobicContact CG-CZ2 3.46Å; F406-W408 VanDerWaalsContact CG-CZ2 3.46Å
407	D	93.8	Very high	90.8	Very high	80 Å²	80	74.1 Å²	74.1	43%	0.428	38%	0.375	S	S	.	.			trans	-94.1	93.7	169.9	178.4	11.7	0	0	0	110.1	A317 S409	A317-D407 WeakPolarHBondContact CA-O 3.32Å; A317-D407 PolarHBondContact O-N 3.26Å; A317-D407 VanDerWaalsContact O-N 3.14Å; D407-S409 VanDerWaalsContact CG-OG 3.22Å; D407-S409 PolarHBondContact O-N 3.04Å; D407-S409 WeakPolarHBondContact OD1-CB 3.48Å; D407-S409 PolarHBondContact OD1-N 3.28Å; D407-S409 PolarHBondContact OD1-OG 3Å; D407-S409 PolarHBondContact OD2-OG 3.26Å
408	W	94	Very high	90.3	Very high	22 Å²	22	75.7 Å²	75.7	8%	0.083	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-77.9	4.3	-179.4	-60.3	119.2	0	0	0	114.3	D247 F249 H276 I313 A317 F406 K410 G411 E412 I413	D247-W408 PolarHBondContact OD1-NE1 3.37Å; F249-W408 AromaticContact CE1-CH2 3.93Å; F249-W408 HydrophobicContact CE1-CH2 3.93Å; F249-W408 HydrophobicContact CE1-CZ2 4.17Å; F249-W408 AromaticContact CZ-CH2 4Å; F249-W408 HydrophobicContact CZ-CH2 4Å; F249-W408 AromaticContact CZ-CZ2 3.95Å; F249-W408 HydrophobicContact CZ-CZ2 3.95Å; H276-W408 AromaticContact CE1-CE2 3.81Å; H276-W408 AromaticContact CE1-CZ2 3.75Å; H276-W408 AromaticContact CE1-NE1 4Å; H276-W408 AromaticContact NE2-CE2 3.86Å; H276-W408 AromaticContact NE2-CZ2 3.6Å; H276-W408 AromaticContact NE2-NE1 3.9Å; I313-W408 HydrophobicContact CG2-CZ3 4.09Å; A317-W408 HydrophobicContact CB-CE3 3.88Å; A317-W408 HydrophobicContact CB-CH2 4.36Å; A317-W408 HydrophobicContact CB-CZ3 3.74Å; F406-W408 HydrophobicContact CB-CD2 3.98Å; F406-W408 HydrophobicContact CB-CG 4.47Å; F406-W408 HydrophobicContact CB-CH2 4.07Å; F406-W408 HydrophobicContact CB-CZ2 3.41Å; F406-W408 VanDerWaalsContact CB-CZ2 3.41Å; F406-W408 AromaticContact CD1-CH2 3.54Å; F406-W408 HydrophobicContact CD1-CH2 3.54Å; F406-W408 AromaticContact CD1-CZ2 3.6Å; F406-W408 HydrophobicContact CD1-CZ2 3.6Å; F406-W408 HydrophobicContact CD1-CZ3 4.29Å; F406-W408 HydrophobicContact CD2-CZ2 4.21Å; F406-W408 HydrophobicContact CE1-CH2 4.24Å; F406-W408 HydrophobicContact CE1-CZ2 4.45Å; F406-W408 AromaticContact CG-CE2 3.96Å; F406-W408 AromaticContact CG-CH2 3.93Å; F406-W408 HydrophobicContact CG-CH2 3.93Å; F406-W408 AromaticContact CG-CZ2 3.46Å; F406-W408 HydrophobicContact CG-CZ2 3.46Å; F406-W408 VanDerWaalsContact CG-CZ2 3.46Å; W408-K410 PolarHBondContact O-N 2.83Å; W408-K410 VanDerWaalsContact O-N 3.14Å; W408-G411 CarbonylContact O-C 3.54Å; W408-G411 PolarHBondContact O-N 3.07Å; W408-E412 HydrophobicContact CB-CG 4.05Å; W408-I413 HydrophobicContact CH2-CD1 3.93Å; W408-I413 HydrophobicContact CH2-CG1 4.43Å; W408-I413 HydrophobicContact CZ3-CD1 4.25Å; W408-I413 HydrophobicContact CZ3-CG1 4.29Å
409	S	89.4	Confident	89.9	Confident	92 Å²	92	79.7 Å²	79.7	64%	0.643	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.4	-177.9	65.7	0	0	0	0	114.6	D407	D407-S409 VanDerWaalsContact CG-OG 3.22Å; D407-S409 PolarHBondContact O-N 3.04Å; D407-S409 WeakPolarHBondContact OD1-CB 3.48Å; D407-S409 PolarHBondContact OD1-N 3.28Å; D407-S409 PolarHBondContact OD1-OG 3Å; D407-S409 PolarHBondContact OD2-OG 3.26Å
410	K	82.8	Confident	89.4	Confident	145 Å²	145	76.7 Å²	76.7	63%	0.63	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-106.5	6.7	-176.1	-65.5	177	-175.7	167.4	0	114.2	K316 W408	K316-K410 HydrophobicContact CB-CB 4.29Å; W408-K410 PolarHBondContact O-N 2.83Å; W408-K410 VanDerWaalsContact O-N 3.14Å
411	G	81.6	Confident	88.9	Confident	30 Å²	30	80.1 Å²	80.1	31%	0.309	41%	0.405	S	S	.	.			trans	152.5	142.9	-178.9	0	0	0	0	0	110.6	W408	W408-G411 CarbonylContact O-C 3.54Å; W408-G411 PolarHBondContact O-N 3.07Å
412	E	84.7	Confident	88.4	Confident	117 Å²	117	74.5 Å²	74.5	55%	0.547	39%	0.385	S	S	.	.			trans	-115.2	148.2	173.6	-70.9	-169.5	157.7	0	0	109.3	W408	W408-E412 HydrophobicContact CB-CG 4.05Å
413	I	86.9	Confident	87.7	Confident	8 Å²	8	76.7 Å²	76.7	4%	0.041	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-67.6	131.6	167.1	-64.7	168.7	0	0	0	107	F249 H276 R277 L278 Q310 I313 W408 R415	F249-I413 HydrophobicContact CD1-CD1 4.14Å; F249-I413 HydrophobicContact CE1-CD1 3.75Å; H276-I413 HydrophobicContact CB-CB 4.4Å; H276-I413 HydrophobicContact CB-CD1 3.86Å; H276-I413 HydrophobicContact CB-CG2 4.37Å; R277-I413 WeakPolarHBondContact O-CG2 3.39Å; L278-I413 HydrophobicContact CD2-CD1 3.7Å; Q310-I413 HydrophobicContact CB-CG1 4.44Å; Q310-I413 HydrophobicContact CG-CG1 4.39Å; Q310-I413 HydrophobicContact CG-CG2 4.31Å; I313-I413 HydrophobicContact CG2-CG1 3.86Å; W408-I413 HydrophobicContact CH2-CD1 3.93Å; W408-I413 HydrophobicContact CH2-CG1 4.43Å; W408-I413 HydrophobicContact CZ3-CD1 4.25Å; W408-I413 HydrophobicContact CZ3-CG1 4.29Å; I413-R415 PolarHBondContact O-N 3.08Å
414	P	78.9	Confident	86.9	Confident	94 Å²	94	75.2 Å²	75.2	61%	0.61	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-51.6	139.8	177.3	-26.9	34.6	0	0	0	111.7
415	R	74.4	Confident	86	Confident	210 Å²	210	75.2 Å²	75.2	79%	0.792	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.9	149.2	174.6	-66.9	-172.8	-178	-164.9	-0.4	110	I413	I413-R415 PolarHBondContact O-N 3.08Å
416	I	71.7	Confident	85	Confident	57 Å²	57	78.8 Å²	78.8	29%	0.292	40%	0.403	S	S	.	.			trans	-43.5	0	-168.4	-65.6	169.6	0	0	0	112.9	L258 I261 R265 R277	L258-I416 HydrophobicContact CD2-CG2 4.31Å; I261-I416 HydrophobicContact CB-CD1 4.09Å; I261-I416 HydrophobicContact CG2-CD1 3.38Å; I261-I416 HydrophobicContact CG2-CG1 4.16Å; R265-I416 HydrophobicContact CB-CD1 4Å; R265-I416 HydrophobicContact CG-CD1 4.36Å; R277-I416 HydrophobicContact CB-CG1 4.33Å; R277-I416 PolarHBondContact NE-OXT 3.17Å; R277-I416 PolarHBondContact NH2-OXT 2.94Å

Retrieved 416 of 416 residues in 591.6 ms (Link to these results)

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