A0A087YLE9_POEFO Loading...

Electron transfer flavoprotein-ubiquinone oxidoreductase

Accepts electrons from ETF and reduces ubiquinone.

AlphaFold DB , UniProt , Accession A0A087YLE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 622 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	29	Very low	32.7	Very low	248 Å²	248	148.5 Å²	148.5	100%	1.222	79%	0.79	S	S	*	*				0	135.3	0	-82.1	166.1	170.4	0	0	108.8
2	F	26.1	Very low	32.5	Very low	204 Å²	204	150.4 Å²	150.4	90%	0.895	79%	0.79	S	S	*	*			trans	-89.3	178.5	163.9	-92.6	-75.4	0	0	0	109.1
3	P	55	Low	32.2	Very low	117 Å²	117	158 Å²	158	76%	0.76	80%	0.802	S	S	*	*			cis	-124.8	-158.7	-21	31.5	-8	0	0	0	109.6
4	A	33.3	Very low	31.9	Very low	82 Å²	82	153.4 Å²	153.4	68%	0.678	79%	0.789	S	S	*	*			cis	-161.6	155.5	14.2	0	0	0	0	0	114.1
5	S	34.9	Very low	32.1	Very low	100 Å²	100	153.9 Å²	153.9	70%	0.699	79%	0.792	S	S	*	*				67.3	136.2	128.6	174.6	0	0	0	0	120
6	R	31.3	Very low	31.9	Very low	193 Å²	193	160.1 Å²	160.1	73%	0.728	80%	0.802	S	S	*	*			cis	-167.1	161.2	-2	-98.8	166.3	-175.4	-163.1	2.2	105.2
7	Y	28.5	Very low	31.8	Very low	187 Å²	187	156.5 Å²	156.5	73%	0.733	80%	0.803	S	S	*	*			cis	-150.7	171.9	-0.9	-105.7	-48	0	0	0	108.3
8	T	32.4	Very low	31.8	Very low	123 Å²	123	157.4 Å²	157.4	76%	0.755	81%	0.809	S	S	*	*			trans	-103.9	147.6	170.3	48.6	0	0	0	0	110.3
9	C	31.2	Very low	32	Very low	107 Å²	107	156.4 Å²	156.4	72%	0.723	81%	0.81	S	S	*	*			cis	76.9	116.1	41.7	-169.1	0	0	0	0	115.5
10	K	29.3	Very low	31.8	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.835	81%	0.812	S	S	*	*			trans	154.5	129.7	137.1	-84.1	166.9	-175.6	-178.9	0	110.1
11	A	29	Very low	32	Very low	80 Å²	80	155.9 Å²	155.9	66%	0.661	81%	0.814	S	S	*	*			cis	84.6	120.8	32.8	0	0	0	0	0	115.7
12	H	30.3	Very low	32.2	Very low	172 Å²	172	152.6 Å²	152.6	80%	0.796	80%	0.796	S	S	*	*			trans	57.1	106.8	144.9	-72.8	80	0	0	0	121.2
13	R	27.9	Very low	32.3	Very low	249 Å²	249	153 Å²	153	94%	0.94	80%	0.797	S	S	*	*				-145.4	103.6	128.4	-87.1	-175.8	175.1	-179.5	-3.5	107.2
14	C	29.1	Very low	31.2	Very low	93 Å²	93	154.9 Å²	154.9	63%	0.628	80%	0.801	S	S	*	*				69.5	112.1	77	-71.3	0	0	0	0	115.3
15	I	34.4	Very low	31.4	Very low	162 Å²	162	155.7 Å²	155.7	83%	0.831	80%	0.8	S	S	*	*			trans	66.7	91.1	138	-51.1	165.4	0	0	0	116.6
16	R	28.4	Very low	31.1	Very low	252 Å²	252	155.8 Å²	155.8	95%	0.951	80%	0.8	S	S	*	*			trans	-175.1	71.1	144.5	-108.5	177.7	-179.2	-170.3	0.7	112.2
17	A	30.5	Very low	31.2	Very low	99 Å²	99	151 Å²	151	82%	0.818	80%	0.802	S	S	*	*			trans	-160.3	28.7	169.3	0	0	0	0	0	114.1
18	L	32.6	Very low	31.9	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	80%	0.8	S	S	*	*	S	Bend	trans	-97.6	143.5	154.7	-93.4	161.8	0	0	0	106.6
19	V	33.9	Very low	32	Very low	138 Å²	138	149.7 Å²	149.7	84%	0.836	80%	0.803	S	S	*	*			trans	81.7	68	-170.1	-163.1	0	0	0	0	115.1
20	T	29.7	Very low	31.9	Very low	138 Å²	138	152.3 Å²	152.3	85%	0.847	81%	0.809	S	S	*	*			trans	-152.8	70.9	139	11.3	0	0	0	0	110.6
21	L	35.1	Very low	32	Very low	164 Å²	164	153.6 Å²	153.6	86%	0.859	81%	0.81	S	S	*	*			trans	-68.4	160.4	148.5	-89.6	160	0	0	0	108.7
22	Q	32.8	Very low	32	Very low	180 Å²	180	155.8 Å²	155.8	84%	0.841	82%	0.821	S	S	*	*			trans	77.3	91.4	179.8	-52.1	178.8	-23.4	0	0	116.4
23	K	29.6	Very low	32	Very low	212 Å²	212	152.6 Å²	152.6	92%	0.922	82%	0.818	S	S	*	*				-167.7	140.4	107.8	-97.8	159.3	-174.8	-179.7	0	112.5
24	D	30.7	Very low	32.2	Very low	156 Å²	156	148 Å²	148	83%	0.834	81%	0.81	S	S	*	*			trans	-58.7	177	175.2	-120.9	-9.5	0	0	0	113.8
25	P	37.9	Very low	32.3	Very low	100 Å²	100	152.1 Å²	152.1	65%	0.649	82%	0.82	S	S	*	*			cis	-141.8	177.7	2.5	38.8	-17.7	0	0	0	117.9
26	S	28.1	Very low	32.1	Very low	101 Å²	101	156.3 Å²	156.3	71%	0.706	83%	0.825	S	S	*	*			trans	36.8	108.8	144.5	65.5	0	0	0	0	121.8
27	A	33.2	Very low	32.3	Very low	94 Å²	94	154.8 Å²	154.8	78%	0.777	82%	0.82	S	S	*	*				6.9	171.6	127.2	0	0	0	0	0	121.6
28	P	43.3	Very low	32.3	Very low	104 Å²	104	156.5 Å²	156.5	68%	0.675	82%	0.82	S	S	*	*			cis	-142.5	-174.8	6.8	43.2	-23.4	0	0	0	116.9
29	Q	34.7	Very low	32.1	Very low	177 Å²	177	154.2 Å²	154.2	83%	0.827	82%	0.817	S	S	*	*			trans	52.8	93.8	147.5	-74	168.2	3.8	0	0	120.1
30	L	30.1	Very low	32.1	Very low	163 Å²	163	152.6 Å²	152.6	85%	0.853	81%	0.812	S	S	*	*				-171.7	160	126.1	-98.6	148.5	0	0	0	107.9
31	Y	29.9	Very low	32.3	Very low	218 Å²	218	150.8 Å²	150.8	86%	0.855	81%	0.805	S	S	*	*			trans	69.8	58.4	-174.5	-58.9	-84.2	0	0	0	117.3
32	S	30.1	Very low	32.5	Very low	127 Å²	127	147.4 Å²	147.4	89%	0.888	80%	0.801	S	S	*	*			trans	-122.2	65.1	159	66.8	0	0	0	0	111.6
33	S	30.3	Very low	33	Very low	104 Å²	104	143 Å²	143	73%	0.727	79%	0.79	S	S	*	*	S	Bend	trans	-137.4	-7.1	177.6	53.7	0	0	0	0	115.3
34	I	32.8	Very low	34.1	Very low	152 Å²	152	138.9 Å²	138.9	78%	0.779	78%	0.783	S	S	*	*	S	Bend	trans	-127.7	66.1	178.2	-47.2	178.3	0	0	0	110.2
35	H	31.2	Very low	35.8	Very low	180 Å²	180	137.6 Å²	137.6	83%	0.833	78%	0.78	S	S	*	*			trans	-168.9	71.5	150.4	-92	-51	0	0	0	108.2	R37	H35-R37 PolarHBondContact O-N 2.97Å
36	R	29.6	Very low	38.1	Very low	250 Å²	250	140.7 Å²	140.7	94%	0.943	78%	0.779	S	S	*	*			trans	-64.1	91.2	148.8	-83	-172.5	179.9	178.4	1.2	106	T38	R36-T38 PolarHBondContact O-N 3.39Å
37	R	31.3	Very low	41.3	Very low	221 Å²	221	137.5 Å²	137.5	83%	0.834	75%	0.754	S	S	*	*			trans	-50.6	127.8	158.1	-77.7	-178.6	172.8	177.3	-3.1	105.9	H35 C39	H35-R37 PolarHBondContact O-N 2.97Å; R37-C39 VanDerWaalsContact C-N 3.32Å; R37-C39 PolarHBondContact O-N 3.26Å
38	T	30.5	Very low	44.3	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	72%	0.717	S	S	*	*			trans	-54.3	103.1	164.2	31.4	0	0	0	0	107.1	R36 S40	R36-T38 PolarHBondContact O-N 3.39Å; T38-S40 PolarHBondContact O-N 2.78Å
39	C	29.6	Very low	46.9	Very low	124 Å²	124	129.1 Å²	129.1	84%	0.838	69%	0.691	S	S	*	*			trans	-62.8	89.2	154.9	-72.8	0	0	0	0	105.3	R37 S41	R37-C39 VanDerWaalsContact C-N 3.32Å; R37-C39 PolarHBondContact O-N 3.26Å; C39-S41 PolarHBondContact O-N 3.35Å
40	S	33.8	Very low	50	Low	104 Å²	104	121.1 Å²	121.1	73%	0.727	65%	0.654	S	S	*	*			trans	-54	101.6	152.9	-177.1	0	0	0	0	105	T38 A42	T38-S40 PolarHBondContact O-N 2.78Å; S40-A42 PolarHBondContact O-N 3.35Å; S40-A42 VanDerWaalsContact O-N 3.14Å
41	S	34.4	Very low	53.1	Low	100 Å²	100	115.5 Å²	115.5	70%	0.699	62%	0.621	S	S	*	*			trans	-50.3	120.3	153.7	49.1	0	0	0	0	104.8	C39 S43	C39-S41 PolarHBondContact O-N 3.35Å; S41-S43 PolarHBondContact O-N 2.87Å
42	A	38	Very low	56.3	Low	94 Å²	94	108.2 Å²	108.2	78%	0.777	60%	0.6	S	S	*	*			trans	-59.7	93.1	175.2	0	0	0	0	0	107.2	S40 T44	S40-A42 PolarHBondContact O-N 3.35Å; S40-A42 VanDerWaalsContact O-N 3.14Å; A42-T44 PolarHBondContact O-N 3.24Å; A42-T44 VanDerWaalsContact O-N 3.14Å
43	S	44.7	Very low	59.5	Low	87 Å²	87	104.6 Å²	104.6	61%	0.608	57%	0.57	S	S	*	*			trans	-58.7	122.5	174.4	179	0	0	0	0	104.8	S41 T45	S41-S43 PolarHBondContact O-N 2.87Å; S43-T45 PolarHBondContact O-N 2.88Å
44	T	52.2	Low	62.7	Low	126 Å²	126	103 Å²	103	77%	0.773	55%	0.551	S	S	*	*			trans	-47.4	115.3	161	38.4	0	0	0	0	106.8	A42 R46	A42-T44 PolarHBondContact O-N 3.24Å; A42-T44 VanDerWaalsContact O-N 3.14Å; T44-R46 PolarHBondContact O-N 3.25Å; T44-R46 VanDerWaalsContact O-N 3.15Å
45	T	66.1	Low	65.7	Low	128 Å²	128	98.2 Å²	98.2	79%	0.785	53%	0.529	S	S	*	.			trans	-55.7	122.5	-178.5	-49.7	0	0	0	0	107.3	S43 I47	S43-T45 PolarHBondContact O-N 2.88Å; T45-I47 PolarHBondContact O-N 3.3Å
46	R	86.7	Confident	68.7	Low	166 Å²	166	91 Å²	91	63%	0.626	50%	0.495	S	S	*	.			trans	-57.2	130.2	179.9	-66.6	-174.8	-175.8	175.7	3.1	108.4	T44	T44-R46 PolarHBondContact O-N 3.25Å; T44-R46 VanDerWaalsContact O-N 3.15Å
47	I	94.3	Very high	71.7	Confident	34 Å²	34	85.4 Å²	85.4	17%	0.174	48%	0.484	C	S	.	.	S	Bend	trans	-77.9	-41.4	178.5	-57.4	171.9	0	0	0	108	T45 L544 D547 L584 I586	T45-I47 PolarHBondContact O-N 3.3Å; I47-L544 HydrophobicContact CB-CD1 4.46Å; I47-L544 HydrophobicContact CG2-CD1 4.15Å; I47-D547 HydrophobicContact CD1-CB 4.47Å; I47-D547 PolarHBondContact N-OD2 3.3Å; I47-L584 HydrophobicContact CD1-CB 3.98Å; I47-L584 WeakPolarHBondContact CD1-O 3.47Å; I47-I586 HydrophobicContact CG2-CB 4.33Å; I47-I586 HydrophobicContact CG2-CD1 3.48Å; I47-I586 VanDerWaalsContact CG2-CD1 3.48Å; I47-I586 HydrophobicContact CG2-CG1 3.67Å
48	T	97.4	Very high	74.8	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.012	48%	0.478	C	S	.	.			trans	-94.3	123.8	177.6	-54.5	0	0	0	0	111.1	I53 H54 L544 D547	T48-I53 HydrophobicContact CG2-CB 3.79Å; T48-I53 HydrophobicContact CG2-CG1 3.89Å; T48-I53 HydrophobicContact CG2-CG2 3.89Å; T48-H54 PolarHBondContact O-CD2 3.09Å; T48-H54 VanDerWaalsContact O-CD2 3.24Å; T48-H54 PolarHBondContact O-NE2 3.04Å; T48-L544 WeakPolarHBondContact OG1-CB 3.49Å; T48-L544 PolarHBondContact OG1-N 2.94Å; T48-L544 PolarHBondContact OG1-O 2.7Å; T48-D547 VanDerWaalsContact CB-OD1 3.25Å; T48-D547 WeakPolarHBondContact CB-OD1 3.32Å; T48-D547 PolarHBondContact N-OD1 2.98Å; T48-D547 PolarHBondContact N-OD2 3.22Å; T48-D547 VanDerWaalsContact N-OD2 3.13Å; T48-D547 PolarHBondContact OG1-OD1 3.44Å
49	T	97.8	Very high	77.8	Confident	20 Å²	20	78.4 Å²	78.4	12%	0.123	45%	0.45	C	S	.	.			trans	-133.6	-2	-179.5	53.4	0	0	0	0	112.4	K228	T49-K228 WeakPolarHBondContact CB-O 3.41Å; T49-K228 PolarHBondContact OG1-O 3.16Å
50	H	98.3	Very high	80.9	Confident	9 Å²	9	76.4 Å²	76.4	4%	0.042	44%	0.442	C	S	.	.			trans	-70.9	141.8	-174.1	-164.3	-85.3	0	0	0	112.4	T52 I53 H54 P539 T543	H50-T52 PolarHBondContact ND1-N 3.49Å; H50-T52 PolarHBondContact ND1-OG1 3.01Å; H50-T52 PolarHBondContact O-N 2.94Å; H50-I53 PolarHBondContact O-N 3.21Å; H50-H54 PolarHBondContact O-N 3.38Å; H50-P539 HydrophobicContact CB-CB 4.13Å; H50-T543 HydrophobicContact CB-CG2 3.47Å; H50-T543 VanDerWaalsContact CB-CG2 3.47Å
51	Y	97.1	Very high	83.9	Confident	44 Å²	44	76.4 Å²	76.4	17%	0.173	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	-171.8	55.5	-97.7	0	0	0	115.2	I53 H54 P55 I226	Y51-I53 VanDerWaalsContact C-N 3.34Å; Y51-H54 WeakPolarHBondContact CA-O 3.33Å; Y51-H54 CarbonylContact O-C 3.49Å; Y51-P55 WeakPolarHBondContact O-CA 3.26Å; Y51-I226 HydrophobicContact CD1-CD1 3.81Å; Y51-I226 HydrophobicContact CE1-CD1 3.99Å
52	T	96.8	Very high	86.9	Confident	65 Å²	65	72.4 Å²	72.4	40%	0.399	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.3	175.1	53.3	0	0	0	0	113.7	H50 V609	H50-T52 PolarHBondContact ND1-N 3.49Å; H50-T52 PolarHBondContact ND1-OG1 3.01Å; H50-T52 PolarHBondContact O-N 2.94Å; T52-V609 HydrophobicContact CG2-CG1 4.48Å
53	I	97.8	Very high	89.6	Confident	51 Å²	51	76 Å²	76	26%	0.262	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-31.9	174.3	-59.4	-59.7	0	0	0	110.9	T48 H50 Y51 P55 T543	T48-I53 HydrophobicContact CG2-CB 3.79Å; T48-I53 HydrophobicContact CG2-CG1 3.89Å; T48-I53 HydrophobicContact CG2-CG2 3.89Å; H50-I53 PolarHBondContact O-N 3.21Å; Y51-I53 VanDerWaalsContact C-N 3.34Å; I53-P55 WeakPolarHBondContact O-CD 3.47Å; I53-T543 HydrophobicContact CG1-CG2 4.41Å
54	H	96.8	Very high	91.8	Very high	72 Å²	72	75.9 Å²	75.9	33%	0.333	41%	0.409	S	S	.	.	S	Bend	trans	-119.5	87.3	175.7	-64.5	-43.8	0	0	0	110.2	T48 H50 Y51 R56	T48-H54 PolarHBondContact O-CD2 3.09Å; T48-H54 VanDerWaalsContact O-CD2 3.24Å; T48-H54 PolarHBondContact O-NE2 3.04Å; H50-H54 PolarHBondContact O-N 3.38Å; Y51-H54 WeakPolarHBondContact CA-O 3.33Å; Y51-H54 CarbonylContact O-C 3.49Å; H54-R56 PolarHBondContact O-N 3.09Å
55	P	96.4	Very high	93.7	Very high	50 Å²	50	73.3 Å²	73.3	33%	0.325	39%	0.389	S	S	.	.			trans	-57.7	132.2	-176	-25.6	35.6	0	0	0	112.6	Y51 I53 D57 K58	Y51-P55 WeakPolarHBondContact O-CA 3.26Å; I53-P55 WeakPolarHBondContact O-CD 3.47Å; P55-D57 VanDerWaalsContact C-N 3.32Å; P55-D57 WeakPolarHBondContact CB-OD1 3.49Å; P55-D57 PolarHBondContact O-N 3.43Å; P55-K58 HydrophobicContact CB-CD 4.39Å; P55-K58 PolarHBondContact O-N 3.18Å; P55-K58 VanDerWaalsContact O-N 3.09Å
56	R	93.9	Very high	94.9	Very high	30 Å²	30	74.4 Å²	74.4	11%	0.113	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-68.4	-29.8	-171.8	-69.5	175	-79.8	179	-8.7	113.1	H54 K58 D59 W62 D223	H54-R56 PolarHBondContact O-N 3.09Å; R56-K58 PolarHBondContact O-N 3.41Å; R56-D59 PolarHBondContact O-N 2.84Å; R56-D59 VanDerWaalsContact O-N 3.09Å; R56-W62 HydrophobicContact CB-CB 4.46Å; R56-W62 HydrophobicContact CB-CD2 3.82Å; R56-W62 HydrophobicContact CB-CE3 4.31Å; R56-W62 HydrophobicContact CB-CG 3.86Å; R56-W62 VanDerWaalsContact CD-CE2 3.43Å; R56-W62 VanDerWaalsContact CD-CH2 3.44Å; R56-W62 HydrophobicContact CG-CD2 3.84Å; R56-W62 HydrophobicContact CG-CE3 4.4Å; R56-W62 HydrophobicContact CG-CG 4.23Å; R56-W62 HydrophobicContact CG-CH2 4.46Å; R56-W62 HydrophobicContact CG-CZ2 3.89Å; R56-D223 IonicContact CZ-OD2 3.14Å; R56-D223 IonicContact NH1-OD2 3.56Å; R56-D223 PolarHBondContact NH1-OD2 3.47Å; R56-D223 IonicContact NH2-OD2 2.7Å; R56-D223 PolarHBondContact NH2-OD2 3.01Å
57	D	92.8	Very high	95.2	Very high	132 Å²	132	69.8 Å²	69.8	71%	0.706	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-58.3	-13.4	170.5	59.7	-61.5	0	0	0	113.9	P55	P55-D57 VanDerWaalsContact C-N 3.32Å; P55-D57 WeakPolarHBondContact CB-OD1 3.49Å; P55-D57 PolarHBondContact O-N 3.43Å
58	K	94.6	Very high	95.2	Very high	165 Å²	165	75.6 Å²	75.6	72%	0.717	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-112.3	8.7	-179.2	-55	179.5	-173.7	172.6	0	113	P55 R56	P55-K58 HydrophobicContact CB-CD 4.39Å; P55-K58 PolarHBondContact O-N 3.18Å; P55-K58 VanDerWaalsContact O-N 3.09Å; R56-K58 PolarHBondContact O-N 3.41Å
59	D	93.6	Very high	95.1	Very high	44 Å²	44	76.8 Å²	76.8	24%	0.235	40%	0.402	C	S	.	.			trans	-118.9	115.4	-177.5	-174.8	-15.2	0	0	0	110	R56 R61 W62	R56-D59 PolarHBondContact O-N 2.84Å; R56-D59 VanDerWaalsContact O-N 3.09Å; D59-R61 PolarHBondContact O-N 2.83Å; D59-R61 VanDerWaalsContact OD1-CB 3.32Å; D59-R61 WeakPolarHBondContact OD1-CB 3.44Å; D59-R61 VanDerWaalsContact OD1-CG 3.31Å; D59-R61 WeakPolarHBondContact OD1-CG 3.47Å; D59-R61 PolarHBondContact OD1-N 3.16Å; D59-R61 IonicContact OD1-NE 3.14Å; D59-R61 PolarHBondContact OD1-NE 3.43Å; D59-R61 VanDerWaalsContact OD1-NE 3.14Å; D59-R61 IonicContact OD2-CZ 3.19Å; D59-R61 IonicContact OD2-NE 2.93Å; D59-R61 PolarHBondContact OD2-NE 2.77Å; D59-R61 IonicContact OD2-NH2 2.66Å; D59-R61 PolarHBondContact OD2-NH2 3.05Å; D59-W62 WeakPolarHBondContact O-CB 3.41Å; D59-W62 PolarHBondContact O-N 3.42Å
60	A	96.2	Very high	95	Very high	82 Å²	82	82.9 Å²	82.9	68%	0.678	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-60	-16.7	-178.5	0	0	0	0	0	113.8	W62 E63	A60-W62 PolarHBondContact O-N 3.42Å; A60-E63 WeakPolarHBondContact O-CB 3.24Å; A60-E63 PolarHBondContact O-N 3.39Å
61	R	96.4	Very high	95	Very high	103 Å²	103	84.5 Å²	84.5	39%	0.389	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-66.4	-14.1	172.4	-61.5	178.7	-65.1	172.1	4	113.4	D59 D229 P232	D59-R61 PolarHBondContact O-N 2.83Å; D59-R61 VanDerWaalsContact OD1-CB 3.32Å; D59-R61 WeakPolarHBondContact OD1-CB 3.44Å; D59-R61 VanDerWaalsContact OD1-CG 3.31Å; D59-R61 WeakPolarHBondContact OD1-CG 3.47Å; D59-R61 PolarHBondContact OD1-N 3.16Å; D59-R61 IonicContact OD1-NE 3.14Å; D59-R61 PolarHBondContact OD1-NE 3.43Å; D59-R61 VanDerWaalsContact OD1-NE 3.14Å; D59-R61 IonicContact OD2-CZ 3.19Å; D59-R61 IonicContact OD2-NE 2.93Å; D59-R61 PolarHBondContact OD2-NE 2.77Å; D59-R61 IonicContact OD2-NH2 2.66Å; D59-R61 PolarHBondContact OD2-NH2 3.05Å; R61-D229 PolarHBondContact NH1-O 3.35Å; R61-D229 IonicContact NH1-OD1 3.63Å; R61-D229 PolarHBondContact NH1-OD1 2.97Å; R61-D229 IonicContact NH1-OD2 3.21Å; R61-D229 PolarHBondContact NH1-OD2 3.37Å; R61-D229 PolarHBondContact NH2-O 3.47Å; R61-P232 WeakPolarHBondContact O-CD 2.94Å; R61-P232 WeakPolarHBondContact O-CG 3.5Å
62	W	96.6	Very high	95	Very high	16 Å²	16	84.2 Å²	84.2	6%	0.061	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-105.3	2.4	179.5	-68.2	81.3	0	0	0	113.1	R56 D59 A60 G64 M65 M67 I226 G230 P232 F236	R56-W62 HydrophobicContact CB-CB 4.46Å; R56-W62 HydrophobicContact CB-CD2 3.82Å; R56-W62 HydrophobicContact CB-CE3 4.31Å; R56-W62 HydrophobicContact CB-CG 3.86Å; R56-W62 VanDerWaalsContact CD-CE2 3.43Å; R56-W62 VanDerWaalsContact CD-CH2 3.44Å; R56-W62 HydrophobicContact CG-CD2 3.84Å; R56-W62 HydrophobicContact CG-CE3 4.4Å; R56-W62 HydrophobicContact CG-CG 4.23Å; R56-W62 HydrophobicContact CG-CH2 4.46Å; R56-W62 HydrophobicContact CG-CZ2 3.89Å; D59-W62 WeakPolarHBondContact O-CB 3.41Å; D59-W62 PolarHBondContact O-N 3.42Å; A60-W62 PolarHBondContact O-N 3.42Å; W62-G64 PolarHBondContact O-N 3.49Å; W62-M65 HydrophobicContact CE3-CB 4.37Å; W62-M65 HydrophobicContact CE3-CG 4.23Å; W62-M65 WeakPolarHBondContact O-CB 3.46Å; W62-M65 PolarHBondContact O-N 3.07Å; W62-M67 HydrophobicContact CE3-SD 3.97Å; W62-M67 HydrophobicContact CZ3-SD 4.06Å; W62-I226 HydrophobicContact CH2-CD1 3.93Å; W62-I226 HydrophobicContact CH2-CG1 3.97Å; W62-I226 HydrophobicContact CZ2-CD1 4.21Å; W62-I226 HydrophobicContact CZ2-CG1 4.3Å; W62-I226 HydrophobicContact CZ2-CG2 4.11Å; W62-G230 PolarHBondContact NE1-O 2.61Å; W62-P232 HydrophobicContact CD2-CB 4.46Å; W62-P232 HydrophobicContact CD2-CG 4.27Å; W62-P232 HydrophobicContact CE3-CB 4.29Å; W62-P232 HydrophobicContact CE3-CG 4.45Å; W62-P232 HydrophobicContact CH2-CB 3.93Å; W62-P232 HydrophobicContact CZ2-CB 4.12Å; W62-P232 HydrophobicContact CZ3-CB 4.02Å; W62-F236 AromaticContact CH2-CD2 3.71Å; W62-F236 HydrophobicContact CH2-CD2 3.71Å; W62-F236 HydrophobicContact CH2-CE1 4.47Å; W62-F236 AromaticContact CH2-CE2 3.48Å; W62-F236 HydrophobicContact CH2-CE2 3.48Å; W62-F236 VanDerWaalsContact CH2-CE2 3.48Å; W62-F236 HydrophobicContact CH2-CG 4.31Å; W62-F236 AromaticContact CH2-CZ 3.89Å; W62-F236 HydrophobicContact CH2-CZ 3.89Å; W62-F236 HydrophobicContact CZ3-CD1 4.12Å; W62-F236 AromaticContact CZ3-CD2 3.94Å; W62-F236 HydrophobicContact CZ3-CD2 3.94Å; W62-F236 AromaticContact CZ3-CE1 3.75Å; W62-F236 HydrophobicContact CZ3-CE1 3.75Å; W62-F236 AromaticContact CZ3-CE2 3.59Å; W62-F236 HydrophobicContact CZ3-CE2 3.59Å; W62-F236 HydrophobicContact CZ3-CG 4.19Å; W62-F236 AromaticContact CZ3-CZ 3.48Å; W62-F236 HydrophobicContact CZ3-CZ 3.48Å; W62-F236 VanDerWaalsContact CZ3-CZ 3.48Å
63	E	94.9	Very high	95	Very high	171 Å²	171	88 Å²	88	80%	0.799	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	127.5	178.8	-171.1	172.3	-171	0	0	111	A60 M65	A60-E63 WeakPolarHBondContact O-CB 3.24Å; A60-E63 PolarHBondContact O-N 3.39Å; E63-M65 VanDerWaalsContact C-N 3.33Å
64	G	91.4	Very high	95	Very high	84 Å²	84	86.2 Å²	86.2	87%	0.866	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-0.5	-176.9	0	0	0	0	0	115.6	W62	W62-G64 PolarHBondContact O-N 3.49Å
65	M	92	Very high	95.1	Very high	72 Å²	72	84.1 Å²	84.1	36%	0.355	44%	0.441	S	S	.	.			trans	-72.9	136.9	172.8	-68.9	-58.1	-57.4	0	0	111.8	W62 E63 M67 P232 F236	W62-M65 HydrophobicContact CE3-CB 4.37Å; W62-M65 HydrophobicContact CE3-CG 4.23Å; W62-M65 WeakPolarHBondContact O-CB 3.46Å; W62-M65 PolarHBondContact O-N 3.07Å; E63-M65 VanDerWaalsContact C-N 3.33Å; M65-M67 PolarHBondContact O-N 2.81Å; M65-P232 HydrophobicContact CE-CB 4.33Å; M65-P232 HydrophobicContact CG-CG 4.22Å; M65-P232 HydrophobicContact SD-CB 4.4Å; M65-P232 HydrophobicContact SD-CG 4.31Å; M65-F236 HydrophobicContact CE-CB 4.27Å; M65-F236 HydrophobicContact CE-CD1 3.54Å; M65-F236 HydrophobicContact CE-CE1 4.34Å; M65-F236 HydrophobicContact CE-CG 4.24Å
66	E	91.2	Very high	95.2	Very high	151 Å²	151	81.8 Å²	81.8	71%	0.706	43%	0.425	S	S	*	.			trans	-73.7	123.8	170.1	-167.4	171.8	173.7	0	0	109.7
67	M	93.3	Very high	95.5	Very high	69 Å²	69	80.3 Å²	80.3	34%	0.34	42%	0.42	S	S	.	.			trans	-117.4	4.1	-173.8	-67.3	-64.8	-66.5	0	0	113	W62 M65 F236 R238	W62-M67 HydrophobicContact CE3-SD 3.97Å; W62-M67 HydrophobicContact CZ3-SD 4.06Å; M65-M67 PolarHBondContact O-N 2.81Å; M67-F236 HydrophobicContact SD-CE1 4.14Å; M67-F236 HydrophobicContact SD-CZ 4.25Å; M67-R238 PolarHBondContact O-NE 2.88Å; M67-R238 PolarHBondContact O-NH2 2.89Å; M67-R238 VanDerWaalsContact O-NH2 3.15Å
68	E	94.3	Very high	95.8	Very high	155 Å²	155	74 Å²	74	72%	0.724	39%	0.386	S	S	*	.			trans	-61.3	150.2	171.9	-168	162.8	165.9	0	0	110.2
69	R	95.8	Very high	96	Very high	27 Å²	27	66.6 Å²	66.6	10%	0.102	36%	0.355	C	S	.	.			trans	-120.3	140.4	177.6	-71.7	-174	164.7	136.9	-7.9	108.6	A71 E207 D223 R238 G239 E241	R69-A71 PolarHBondContact O-N 2.89Å; R69-E207 IonicContact CZ-OE2 3.52Å; R69-E207 VanDerWaalsContact CZ-OE2 3.22Å; R69-E207 IonicContact NH1-OE1 3.56Å; R69-E207 IonicContact NH1-OE2 3.54Å; R69-E207 PolarHBondContact NH1-OE2 3.01Å; R69-E207 IonicContact NH2-OE2 2.74Å; R69-E207 PolarHBondContact NH2-OE2 2.68Å; R69-D223 IonicContact NE-OD1 3.87Å; R69-D223 IonicContact NH2-OD1 3.69Å; R69-R238 HydrophobicContact CG-CB 4.04Å; R69-R238 VanDerWaalsContact CZ-NH1 3.27Å; R69-G239 WeakPolarHBondContact CD-O 3.44Å; R69-G239 WeakPolarHBondContact CG-O 3.26Å; R69-G239 PolarHBondContact NE-O 3.14Å; R69-E241 HydrophobicContact CB-CG 3.74Å; R69-E241 WeakPolarHBondContact CD-OE1 3.46Å; R69-E241 HydrophobicContact CG-CG 4.19Å; R69-E241 IonicContact NH1-OE1 3.22Å
70	F	95.5	Very high	96.2	Very high	148 Å²	148	64.8 Å²	64.8	65%	0.649	35%	0.347	S	S	*	.			trans	-63.3	136.1	159.5	-177.1	-102.6	0	0	0	108.9	D72 M240 E241	F70-D72 HydrophobicContact CE1-CB 4.03Å; F70-M240 HydrophobicContact CD1-CG 4Å; F70-M240 HydrophobicContact CD1-SD 3.82Å; F70-M240 HydrophobicContact CE1-SD 4.19Å; F70-E241 PolarHBondContact O-N 2.8Å
71	A	97.4	Very high	96.3	Very high	43 Å²	43	61 Å²	61	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.3	179.4	0	0	0	0	0	110.1	R69 E241	R69-A71 PolarHBondContact O-N 2.89Å; A71-E241 WeakPolarHBondContact CA-O 3.48Å; A71-E241 HydrophobicContact CB-CB 4.02Å
72	D	97.6	Very high	96.4	Very high	39 Å²	39	56.9 Å²	56.9	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150	178.9	-166.1	12.8	0	0	0	110.3	F70 R104 M240 E241 L242 H243	F70-D72 HydrophobicContact CE1-CB 4.03Å; D72-R104 IonicContact OD1-CZ 3.15Å; D72-R104 IonicContact OD1-NH1 3.84Å; D72-R104 PolarHBondContact OD1-NH1 2.66Å; D72-R104 IonicContact OD1-NH2 2.97Å; D72-R104 IonicContact OD2-CZ 3.72Å; D72-R104 IonicContact OD2-NH1 2.73Å; D72-R104 PolarHBondContact OD2-NH1 2.93Å; D72-R104 VanDerWaalsContact OD2-NH1 3.14Å; D72-R104 IonicContact OD2-NH2 3.77Å; D72-R104 PolarHBondContact OD2-NH2 2.93Å; D72-M240 HydrophobicContact CB-SD 4.43Å; D72-E241 PolarHBondContact N-O 3.17Å; D72-L242 HydrophobicContact CB-CD2 4.17Å; D72-L242 WeakPolarHBondContact O-CA 3.49Å; D72-H243 PolarHBondContact O-N 3.17Å
73	E	97.3	Very high	96.5	Very high	145 Å²	145	57.1 Å²	57.1	68%	0.678	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.2	-169.6	-65.5	-169.9	166.2	0	0	112.3	R104 H243	E73-R104 WeakPolarHBondContact O-CD 3.25Å; E73-R104 PolarHBondContact O-NH1 3.14Å; E73-H243 HydrophobicContact CG-CB 4.43Å
74	A	97.9	Very high	96.7	Very high	12 Å²	12	49.2 Å²	49.2	10%	0.099	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	163.4	174.4	0	0	0	0	0	111.5	V77 R104 C106 H243 A244	A74-V77 HydrophobicContact CB-CG2 4.23Å; A74-R104 HydrophobicContact CB-CB 4.43Å; A74-R104 HydrophobicContact CB-CG 4.12Å; A74-C106 HydrophobicContact CB-CB 4.35Å; A74-C106 VanDerWaalsContact CB-SG 3.59Å; A74-H243 PolarHBondContact N-O 3.49Å; A74-A244 VanDerWaalsContact O-CA 3.23Å; A74-A244 WeakPolarHBondContact O-CA 3.47Å
75	D	98.3	Very high	97.1	Very high	29 Å²	29	45.2 Å²	45.2	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-41.1	170.7	-64.9	-71.8	0	0	0	110.9	L103 R104 K245	D75-L103 HydrophobicContact CB-CD1 3.49Å; D75-L103 VanDerWaalsContact CB-CD1 3.49Å; D75-L103 HydrophobicContact CB-CG 4.23Å; D75-L103 WeakPolarHBondContact OD2-CA 3.48Å; D75-R104 WeakPolarHBondContact CB-O 3.48Å; D75-R104 PolarHBondContact N-O 2.92Å; D75-R104 PolarHBondContact OD2-N 2.97Å; D75-K245 WeakPolarHBondContact O-CB 3.45Å; D75-K245 PolarHBondContact O-N 3.11Å; D75-K245 WeakPolarHBondContact OD1-CE 3.4Å; D75-K245 IonicContact OD1-NZ 3.8Å; D75-K245 PolarHBondContact OD1-NZ 3.24Å
76	V	98.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.9	-178.2	-172.5	0	0	0	0	110.6	I78 L92 R104 V105 C106 V246 V248 I419 V423	V76-I78 HydrophobicContact CG1-CG1 4.05Å; V76-L92 HydrophobicContact CB-CD1 4.07Å; V76-L92 HydrophobicContact CG1-CD1 3.81Å; V76-L92 HydrophobicContact CG2-CD1 4Å; V76-R104 PolarHBondContact N-O 3.41Å; V76-V105 HydrophobicContact CB-CG2 4.48Å; V76-V105 WeakPolarHBondContact O-CA 3.02Å; V76-C106 PolarHBondContact O-N 3.33Å; V76-V246 WeakPolarHBondContact CA-O 3.46Å; V76-V246 HydrophobicContact CG1-CG1 4.26Å; V76-V246 HydrophobicContact CG2-CG1 3.99Å; V76-V248 HydrophobicContact CG1-CG2 3.94Å; V76-I419 HydrophobicContact CG2-CG2 3.73Å; V76-V423 HydrophobicContact CG2-CG1 4.43Å
77	V	98.9	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.5	168.9	169	0	0	0	0	109.8	A74 C106 I219 L242 A244 V246 T247 V248	A74-V77 HydrophobicContact CB-CG2 4.23Å; V77-C106 CarbonylContact C-O 3.54Å; V77-C106 WeakPolarHBondContact CA-O 3.44Å; V77-C106 HydrophobicContact CG2-CB 4.47Å; V77-I219 HydrophobicContact CG1-CG1 3.92Å; V77-L242 HydrophobicContact CG1-CB 4.43Å; V77-L242 HydrophobicContact CG2-CB 3.83Å; V77-A244 HydrophobicContact CB-CB 4.05Å; V77-A244 HydrophobicContact CG2-CB 3.71Å; V77-V246 PolarHBondContact N-O 3.26Å; V77-T247 HydrophobicContact CB-CG2 4.39Å; V77-T247 HydrophobicContact CG1-CG2 4.22Å; V77-T247 CarbonylContact O-C 3.58Å; V77-T247 WeakPolarHBondContact O-CA 3.23Å; V77-V248 PolarHBondContact O-N 3.24Å
78	I	98.9	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.3	-178.6	-55.8	175.3	0	0	0	109.5	V76 A88 A89 L92 V105 C106 L107 V108 V248	V76-I78 HydrophobicContact CG1-CG1 4.05Å; I78-A88 HydrophobicContact CD1-CB 4.29Å; I78-A89 HydrophobicContact CD1-CB 3.58Å; I78-L92 HydrophobicContact CD1-CD1 4.32Å; I78-V105 HydrophobicContact CD1-CG1 3.64Å; I78-V105 HydrophobicContact CG1-CG1 4.31Å; I78-C106 PolarHBondContact N-O 3.41Å; I78-L107 HydrophobicContact CB-CB 4.27Å; I78-L107 HydrophobicContact CB-CD1 4.19Å; I78-L107 HydrophobicContact CB-CG 4.14Å; I78-L107 HydrophobicContact CG2-CD1 3.87Å; I78-L107 HydrophobicContact CG2-CG 4.17Å; I78-L107 WeakPolarHBondContact O-CA 3.42Å; I78-V108 PolarHBondContact O-N 2.66Å; I78-V248 HydrophobicContact CG1-CB 4.2Å; I78-V248 HydrophobicContact CG1-CG2 4.48Å
79	V	98.9	Very high	98.3	Very high	8 Å²	8	24 Å²	24	5%	0.048	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.4	179.4	-176.7	0	0	0	0	110.1	V108 A205 I219 T247 V248 F249 G250 E251 L257	V79-V108 HydrophobicContact CB-CG2 4.49Å; V79-V108 HydrophobicContact CG2-CG2 4.26Å; V79-A205 HydrophobicContact CG1-CB 3.71Å; V79-A205 HydrophobicContact CG2-CB 4.05Å; V79-I219 HydrophobicContact CG2-CG1 4.29Å; V79-I219 HydrophobicContact CG2-CG2 3.96Å; V79-T247 HydrophobicContact CG2-CG2 4.12Å; V79-V248 PolarHBondContact N-O 3.22Å; V79-F249 HydrophobicContact CB-CD1 4.34Å; V79-F249 HydrophobicContact CG2-CD1 4.16Å; V79-F249 HydrophobicContact CG2-CE1 4.18Å; V79-G250 CarbonylContact O-C 3.51Å; V79-G250 WeakPolarHBondContact O-CA 3.31Å; V79-G250 PolarHBondContact O-N 2.69Å; V79-E251 HydrophobicContact CG1-CG 3.87Å; V79-E251 PolarHBondContact O-N 2.85Å; V79-L257 HydrophobicContact CG1-CD1 4.45Å
80	G	98.6	Very high	98.4	Very high	7 Å²	7	22.7 Å²	22.7	7%	0.072	13%	0.126	C	C	.	.			trans	111.6	115.1	173	0	0	0	0	0	113.9	G82 V108	G80-G82 PolarHBondContact O-N 3.37Å; G80-V108 WeakPolarHBondContact CA-O 3.39Å; G80-V108 PolarHBondContact N-O 2.93Å
81	G	98.4	Very high	98.6	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.102	C	C	.	.			trans	-80	35.9	178.2	0	0	0	0	0	113.8	L86 E109 V185	G81-L86 WeakPolarHBondContact O-CD1 3.32Å; G81-E109 PolarHBondContact N-OE2 2.76Å; G81-V185 WeakPolarHBondContact O-CG1 3.35Å
82	G	98.7	Very high	98.6	Very high	17 Å²	17	15.6 Å²	15.6	18%	0.175	9%	0.085	C	C	.	.	S	Bend	trans	-85.8	176.3	172.9	0	0	0	0	0	112.3	G80 A84 G85 L86	G80-G82 PolarHBondContact O-N 3.37Å; G82-A84 PolarHBondContact O-N 2.99Å; G82-G85 PolarHBondContact O-N 2.7Å; G82-G85 VanDerWaalsContact O-N 3.13Å; G82-L86 PolarHBondContact O-N 2.97Å
83	P	98.8	Very high	98.7	Very high	20 Å²	20	15.1 Å²	15.1	13%	0.13	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-31.4	-178.9	-26.9	34.3	0	0	0	114.5	S87 L181 V185 T405 M409	P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 VanDerWaalsContact O-N 3.15Å; P83-S87 PolarHBondContact O-OG 3.01Å; P83-L181 HydrophobicContact CG-CD1 4.16Å; P83-L181 HydrophobicContact CG-CD2 4.45Å; P83-V185 HydrophobicContact CG-CG2 3.71Å; P83-T405 HydrophobicContact CB-CG2 3.94Å; P83-T405 HydrophobicContact CG-CG2 4Å; P83-M409 HydrophobicContact CB-CG 3.79Å
84	A	98.9	Very high	98.8	Very high	6 Å²	6	9.6 Å²	9.6	5%	0.05	6%	0.056	C	C	.	.	H	α-helix	trans	-70.8	-52.3	176.5	0	0	0	0	0	112.3	G82 S87 A88 I390 A408	G82-A84 PolarHBondContact O-N 2.99Å; A84-S87 PolarHBondContact O-N 3.42Å; A84-A88 PolarHBondContact O-N 3.04Å; A84-I390 HydrophobicContact CB-CB 4.49Å; A84-I390 HydrophobicContact CB-CD1 3.81Å; A84-I390 HydrophobicContact CB-CG1 3.94Å; A84-I390 WeakPolarHBondContact O-CD1 3.39Å; A84-A408 HydrophobicContact CB-CB 4.17Å; A84-A408 WeakPolarHBondContact CB-O 3.35Å
85	G	98.9	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-44.5	-178.6	0	0	0	0	0	112.1	G82 A88 A89	G82-G85 PolarHBondContact O-N 2.7Å; G82-G85 VanDerWaalsContact O-N 3.13Å; G85-A88 PolarHBondContact O-N 3.15Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.49Å
86	L	98.9	Very high	98.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-42.2	175	-69.1	167.5	0	0	0	111.8	G81 G82 A88 A89 I90 L107 L114 V185 L188 A192 I199	G81-L86 WeakPolarHBondContact O-CD1 3.32Å; G82-L86 PolarHBondContact O-N 2.97Å; L86-A88 VanDerWaalsContact C-N 3.29Å; L86-A88 PolarHBondContact O-N 2.86Å; L86-A89 PolarHBondContact O-N 2.89Å; L86-I90 HydrophobicContact CB-CD1 4.43Å; L86-I90 WeakPolarHBondContact O-CB 3.3Å; L86-I90 VanDerWaalsContact O-CD1 3.3Å; L86-I90 WeakPolarHBondContact O-CD1 3.38Å; L86-I90 WeakPolarHBondContact O-CG1 3.08Å; L86-I90 PolarHBondContact O-N 3.04Å; L86-L107 HydrophobicContact CD2-CD1 4.02Å; L86-L107 HydrophobicContact CG-CD1 4.42Å; L86-L114 HydrophobicContact CD2-CD1 4.29Å; L86-V185 HydrophobicContact CD1-CG1 3.91Å; L86-V185 WeakPolarHBondContact CD1-O 3.13Å; L86-L188 HydrophobicContact CB-CB 4.06Å; L86-L188 HydrophobicContact CD1-CB 3.72Å; L86-L188 HydrophobicContact CG-CB 4.44Å; L86-A192 HydrophobicContact CD2-CB 4.18Å; L86-I199 HydrophobicContact CD2-CD1 4.13Å
87	S	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-35.3	175.5	-60.5	0	0	0	0	113	P83 A84 R91 M409	P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.41Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 VanDerWaalsContact O-N 3.15Å; P83-S87 PolarHBondContact O-OG 3.01Å; A84-S87 PolarHBondContact O-N 3.42Å; S87-R91 VanDerWaalsContact O-CB 3.28Å; S87-R91 WeakPolarHBondContact O-CB 3.45Å; S87-R91 PolarHBondContact O-N 2.84Å; S87-R91 VanDerWaalsContact O-N 3.1Å; S87-M409 WeakPolarHBondContact CB-O 3.49Å; S87-M409 WeakPolarHBondContact OG-CA 3.48Å; S87-M409 WeakPolarHBondContact OG-CB 3.26Å; S87-M409 WeakPolarHBondContact OG-CG 3.42Å
88	A	98.9	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-46.7	173.4	0	0	0	0	0	111.6	I78 A84 G85 L86 R91 L92 I390 G412	I78-A88 HydrophobicContact CD1-CB 4.29Å; A84-A88 PolarHBondContact O-N 3.04Å; G85-A88 PolarHBondContact O-N 3.15Å; L86-A88 VanDerWaalsContact C-N 3.29Å; L86-A88 PolarHBondContact O-N 2.86Å; A88-R91 PolarHBondContact O-N 3.25Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 VanDerWaalsContact O-CG 3.28Å; A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 2.99Å; A88-I390 HydrophobicContact CB-CD1 4.03Å; A88-G412 WeakPolarHBondContact CA-O 3.32Å
89	A	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-48.5	-179.8	0	0	0	0	0	112.2	I78 G85 L86 L92 K93 V105 L107 V197	I78-A89 HydrophobicContact CD1-CB 3.58Å; G85-A89 WeakPolarHBondContact O-CB 3.43Å; G85-A89 PolarHBondContact O-N 3.49Å; L86-A89 PolarHBondContact O-N 2.89Å; A89-L92 PolarHBondContact O-N 2.8Å; A89-K93 PolarHBondContact O-N 2.74Å; A89-K93 VanDerWaalsContact O-N 3.09Å; A89-V105 HydrophobicContact CB-CG1 4.25Å; A89-L107 HydrophobicContact CB-CD1 4.16Å; A89-V197 HydrophobicContact CB-CG1 3.88Å; A89-V197 HydrophobicContact CB-CG2 3.81Å
90	I	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-51.3	176.7	-68.3	162.8	0	0	0	110.2	L86 L92 K93 Q94 L132 F133 L188 A192 L195	L86-I90 HydrophobicContact CB-CD1 4.43Å; L86-I90 WeakPolarHBondContact O-CB 3.3Å; L86-I90 VanDerWaalsContact O-CD1 3.3Å; L86-I90 WeakPolarHBondContact O-CD1 3.38Å; L86-I90 WeakPolarHBondContact O-CG1 3.08Å; L86-I90 PolarHBondContact O-N 3.04Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 2.91Å; I90-K93 PolarHBondContact O-N 3.45Å; I90-Q94 HydrophobicContact CG2-CG 4.29Å; I90-Q94 WeakPolarHBondContact O-CB 3.49Å; I90-Q94 WeakPolarHBondContact O-CG 3.42Å; I90-Q94 PolarHBondContact O-N 2.93Å; I90-L132 HydrophobicContact CB-CD1 4.22Å; I90-L132 HydrophobicContact CB-CD2 4.31Å; I90-L132 HydrophobicContact CD1-CD2 4.08Å; I90-L132 HydrophobicContact CG2-CD1 3.62Å; I90-L132 HydrophobicContact CG2-CD2 4.02Å; I90-L132 HydrophobicContact CG2-CG 3.83Å; I90-F133 HydrophobicContact CD1-CE2 3.92Å; I90-F133 HydrophobicContact CD1-CZ 4.05Å; I90-F133 HydrophobicContact CG1-CZ 4.43Å; I90-F133 HydrophobicContact CG2-CE1 4.15Å; I90-F133 HydrophobicContact CG2-CE2 3.95Å; I90-F133 HydrophobicContact CG2-CZ 3.45Å; I90-F133 VanDerWaalsContact CG2-CZ 3.45Å; I90-L188 HydrophobicContact CD1-CB 4.43Å; I90-L188 HydrophobicContact CD1-CD2 3.73Å; I90-L188 WeakPolarHBondContact CD1-O 3.41Å; I90-A192 HydrophobicContact CD1-CB 4.29Å; I90-A192 HydrophobicContact CG1-CB 3.68Å; I90-L195 HydrophobicContact CB-CD1 4.31Å; I90-L195 HydrophobicContact CG2-CD1 3.7Å
91	R	98.9	Very high	98.6	Very high	42 Å²	42	35.3 Å²	35.3	16%	0.158	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-34.9	-176.8	-173.3	64.6	177.3	133.3	3	112.1	S87 A88 Q94 L95 E98 L132 I413 A416 E417	S87-R91 VanDerWaalsContact O-CB 3.28Å; S87-R91 WeakPolarHBondContact O-CB 3.45Å; S87-R91 PolarHBondContact O-N 2.84Å; S87-R91 VanDerWaalsContact O-N 3.1Å; A88-R91 PolarHBondContact O-N 3.25Å; R91-Q94 VanDerWaalsContact CD-OE1 3.31Å; R91-Q94 PolarHBondContact O-N 3.34Å; R91-L95 HydrophobicContact CG-CD1 4.13Å; R91-L95 HydrophobicContact CG-CG 4.49Å; R91-L95 WeakPolarHBondContact O-CB 3.29Å; R91-L95 VanDerWaalsContact O-CG 3.25Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.93Å; R91-E98 IonicContact NH1-OE1 3.52Å; R91-E98 PolarHBondContact NH1-OE1 3.16Å; R91-E98 IonicContact NH1-OE2 3.17Å; R91-L132 HydrophobicContact CB-CD1 3.99Å; R91-I413 HydrophobicContact CG-CG2 3.99Å; R91-A416 HydrophobicContact CB-CB 3.61Å; R91-A416 HydrophobicContact CG-CB 3.75Å; R91-E417 HydrophobicContact CG-CG 4.2Å; R91-E417 IonicContact CZ-OE1 3.94Å; R91-E417 IonicContact NE-OE1 2.72Å; R91-E417 PolarHBondContact NE-OE1 2.83Å; R91-E417 IonicContact NH2-OE1 2.8Å; R91-E417 PolarHBondContact NH2-OE1 2.88Å
92	L	98.9	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-47	172.5	-77.6	169.9	0	0	0	111.9	V76 I78 A88 A89 I90 L95 A96 L103 V105 A416 I419 F420	V76-L92 HydrophobicContact CB-CD1 4.07Å; V76-L92 HydrophobicContact CG1-CD1 3.81Å; V76-L92 HydrophobicContact CG2-CD1 4Å; I78-L92 HydrophobicContact CD1-CD1 4.32Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 VanDerWaalsContact O-CG 3.28Å; A88-L92 WeakPolarHBondContact O-CG 3.42Å; A88-L92 PolarHBondContact O-N 2.99Å; A89-L92 PolarHBondContact O-N 2.8Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3.37Å; L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3.27Å; L92-L103 HydrophobicContact CB-CD2 3.93Å; L92-L103 HydrophobicContact CD2-CD2 4.14Å; L92-V105 HydrophobicContact CB-CG2 4.11Å; L92-V105 HydrophobicContact CD1-CG1 4.25Å; L92-V105 HydrophobicContact CD1-CG2 4.21Å; L92-A416 HydrophobicContact CD2-CB 3.98Å; L92-A416 HydrophobicContact CG-CB 3.69Å; L92-I419 HydrophobicContact CD2-CB 4.05Å; L92-I419 HydrophobicContact CD2-CG2 3.85Å; L92-F420 HydrophobicContact CD2-CB 4.26Å
93	K	98.8	Very high	98.4	Very high	29 Å²	29	43.8 Å²	43.8	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-72.7	-32.1	178.1	-67.4	-62.1	-64.2	-174.5	0	113.2	A89 I90 A96 N97 L103 V105 L195 G196 V197	A89-K93 PolarHBondContact O-N 2.74Å; A89-K93 VanDerWaalsContact O-N 3.09Å; I90-K93 PolarHBondContact O-N 3.45Å; K93-A96 PolarHBondContact O-N 3.04Å; K93-N97 WeakPolarHBondContact O-CB 3.41Å; K93-N97 PolarHBondContact O-N 2.82Å; K93-N97 PolarHBondContact O-ND2 2.85Å; K93-N97 PolarHBondContact O-OD1 2.97Å; K93-L103 PolarHBondContact NZ-O 3.07Å; K93-V105 HydrophobicContact CD-CG2 4.07Å; K93-V105 HydrophobicContact CG-CG2 4.42Å; K93-L195 HydrophobicContact CB-CB 3.85Å; K93-L195 WeakPolarHBondContact CE-O 3.41Å; K93-G196 VanDerWaalsContact CE-O 3.23Å; K93-G196 WeakPolarHBondContact CE-O 3.48Å; K93-V197 HydrophobicContact CB-CG2 4.42Å; K93-V197 HydrophobicContact CG-CG2 3.56Å
94	Q	98.8	Very high	98.4	Very high	30 Å²	30	46 Å²	46	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-52.9	168.4	-75.2	174.5	-19.4	0	0	110.8	I90 R91 A96 N97 E98 L132 L195	I90-Q94 HydrophobicContact CG2-CG 4.29Å; I90-Q94 WeakPolarHBondContact O-CB 3.49Å; I90-Q94 WeakPolarHBondContact O-CG 3.42Å; I90-Q94 PolarHBondContact O-N 2.93Å; R91-Q94 VanDerWaalsContact CD-OE1 3.31Å; R91-Q94 PolarHBondContact O-N 3.34Å; Q94-A96 VanDerWaalsContact C-N 3.31Å; Q94-A96 PolarHBondContact O-N 3.05Å; Q94-N97 PolarHBondContact O-N 2.84Å; Q94-E98 VanDerWaalsContact O-CB 3.3Å; Q94-E98 WeakPolarHBondContact O-CB 3.49Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.37Å; Q94-L132 PolarHBondContact NE2-O 3.28Å; Q94-L195 HydrophobicContact CG-CD1 4.03Å
95	L	98.8	Very high	98.4	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-37.9	178	-70.8	166.4	0	0	0	112.7	R91 L92 Q99 E417 F420	R91-L95 HydrophobicContact CG-CD1 4.13Å; R91-L95 HydrophobicContact CG-CG 4.49Å; R91-L95 WeakPolarHBondContact O-CB 3.29Å; R91-L95 VanDerWaalsContact O-CG 3.25Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.93Å; L92-L95 PolarHBondContact O-N 3.37Å; L95-Q99 WeakPolarHBondContact O-CB 3.22Å; L95-Q99 PolarHBondContact O-N 3.29Å; L95-Q99 VanDerWaalsContact O-N 3.16Å; L95-E417 HydrophobicContact CD1-CG 4.04Å; L95-F420 HydrophobicContact CB-CB 4.31Å; L95-F420 HydrophobicContact CB-CD1 4.02Å; L95-F420 HydrophobicContact CB-CD2 3.67Å; L95-F420 HydrophobicContact CB-CE1 4.31Å; L95-F420 HydrophobicContact CB-CE2 3.99Å; L95-F420 HydrophobicContact CB-CG 3.69Å; L95-F420 HydrophobicContact CB-CZ 4.29Å; L95-F420 HydrophobicContact CD1-CB 3.77Å; L95-F420 HydrophobicContact CD1-CG 4.08Å; L95-F420 HydrophobicContact CG-CG 4.47Å; L95-F420 WeakPolarHBondContact O-CZ 3.46Å
96	A	98.6	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-48.4	175	0	0	0	0	0	111.7	L92 K93 Q94 Q99 E100 K101 L103 F420	L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3.27Å; K93-A96 PolarHBondContact O-N 3.04Å; Q94-A96 VanDerWaalsContact C-N 3.31Å; Q94-A96 PolarHBondContact O-N 3.05Å; A96-Q99 CarbonylContact O-C 3.55Å; A96-Q99 PolarHBondContact O-N 3.04Å; A96-E100 PolarHBondContact O-N 3.2Å; A96-K101 WeakPolarHBondContact CB-O 3.28Å; A96-K101 PolarHBondContact O-N 3.27Å; A96-L103 HydrophobicContact CB-CB 3.89Å; A96-L103 HydrophobicContact CB-CD2 4.37Å; A96-F420 VanDerWaalsContact CA-CE2 3.42Å; A96-F420 HydrophobicContact CB-CE2 3.84Å; A96-F420 VanDerWaalsContact N-CE2 3.34Å
97	N	98.3	Very high	98.4	Very high	90 Å²	90	45.7 Å²	45.7	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-70.2	-38	179.6	-62.7	-9.5	0	0	0	111.9	K93 Q94 Q99 E100	K93-N97 WeakPolarHBondContact O-CB 3.41Å; K93-N97 PolarHBondContact O-N 2.82Å; K93-N97 PolarHBondContact O-ND2 2.85Å; K93-N97 PolarHBondContact O-OD1 2.97Å; Q94-N97 PolarHBondContact O-N 2.84Å; N97-Q99 PolarHBondContact O-N 2.9Å; N97-E100 PolarHBondContact O-N 3.4Å
98	E	98.1	Very high	98.4	Very high	121 Å²	121	45.9 Å²	45.9	57%	0.565	21%	0.212	S	C	*	.	H	α-helix	trans	-61.9	-29.2	175.3	-77.5	167.1	-154.2	0	0	113	R91 Q94	R91-E98 IonicContact NH1-OE1 3.52Å; R91-E98 PolarHBondContact NH1-OE1 3.16Å; R91-E98 IonicContact NH1-OE2 3.17Å; Q94-E98 VanDerWaalsContact O-CB 3.3Å; Q94-E98 WeakPolarHBondContact O-CB 3.49Å; Q94-E98 WeakPolarHBondContact O-CG 3.34Å; Q94-E98 PolarHBondContact O-N 3.37Å
99	Q	98.1	Very high	98.4	Very high	101 Å²	101	47 Å²	47	47%	0.472	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	11.5	-176.5	-62.8	-177.4	47.8	0	0	113.4	L95 A96 N97 K101 F420	L95-Q99 WeakPolarHBondContact O-CB 3.22Å; L95-Q99 PolarHBondContact O-N 3.29Å; L95-Q99 VanDerWaalsContact O-N 3.16Å; A96-Q99 CarbonylContact O-C 3.55Å; A96-Q99 PolarHBondContact O-N 3.04Å; N97-Q99 PolarHBondContact O-N 2.9Å; Q99-K101 HydrophobicContact CB-CG 4.28Å; Q99-K101 WeakPolarHBondContact O-CG 3.13Å; Q99-K101 PolarHBondContact O-N 2.89Å; Q99-F420 HydrophobicContact CB-CE1 4.36Å; Q99-F420 HydrophobicContact CB-CZ 4.32Å; Q99-F420 HydrophobicContact CG-CE1 4.38Å
100	E	97.4	Very high	98.3	Very high	191 Å²	191	48.4 Å²	48.4	89%	0.893	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	37.9	179.9	-58.6	-177.1	174.2	0	0	113.7	A96 N97	A96-E100 PolarHBondContact O-N 3.2Å; N97-E100 PolarHBondContact O-N 3.4Å
101	K	97	Very high	98.3	Very high	78 Å²	78	48.4 Å²	48.4	34%	0.339	22%	0.223	S	C	.	.			trans	-105.4	138.1	178.5	-61.5	-158.8	-176.7	179.8	0	112	A96 Q99 F420 T424	A96-K101 WeakPolarHBondContact CB-O 3.28Å; A96-K101 PolarHBondContact O-N 3.27Å; Q99-K101 HydrophobicContact CB-CG 4.28Å; Q99-K101 WeakPolarHBondContact O-CG 3.13Å; Q99-K101 PolarHBondContact O-N 2.89Å; K101-F420 HydrophobicContact CB-CZ 4.2Å; K101-F420 HydrophobicContact CD-CE1 4.46Å; K101-F420 HydrophobicContact CD-CZ 4.09Å; K101-F420 HydrophobicContact CG-CZ 4.36Å; K101-T424 VanDerWaalsContact CD-CB 3.47Å; K101-T424 HydrophobicContact CD-CG2 3.89Å; K101-T424 PolarHBondContact NZ-O 2.92Å; K101-T424 PolarHBondContact NZ-OG1 3.25Å
102	E	95.7	Very high	98.2	Very high	191 Å²	191	49.7 Å²	49.7	89%	0.893	24%	0.237	S	C	*	.			trans	-68.6	135.5	166	-64.7	-172.4	168	0	0	110.1
103	L	98.1	Very high	98.1	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	26%	0.259	C	S	.	.			trans	-154.2	119.1	177	-171.3	78.1	0	0	0	108.9	D75 L92 K93 A96 V105 F420 V423 T424	D75-L103 HydrophobicContact CB-CD1 3.49Å; D75-L103 VanDerWaalsContact CB-CD1 3.49Å; D75-L103 HydrophobicContact CB-CG 4.23Å; D75-L103 WeakPolarHBondContact OD2-CA 3.48Å; L92-L103 HydrophobicContact CB-CD2 3.93Å; L92-L103 HydrophobicContact CD2-CD2 4.14Å; K93-L103 PolarHBondContact NZ-O 3.07Å; A96-L103 HydrophobicContact CB-CB 3.89Å; A96-L103 HydrophobicContact CB-CD2 4.37Å; L103-V105 HydrophobicContact CD2-CG2 3.74Å; L103-V105 HydrophobicContact CG-CG2 3.97Å; L103-F420 HydrophobicContact CD2-CD2 4.06Å; L103-F420 HydrophobicContact CD2-CE2 4.24Å; L103-V423 HydrophobicContact CD1-CB 4.5Å; L103-V423 HydrophobicContact CD1-CG2 3.61Å; L103-T424 HydrophobicContact CD1-CG2 4.08Å
104	R	98.6	Very high	98.1	Very high	66 Å²	66	53.8 Å²	53.8	25%	0.249	26%	0.257	C	S	.	.			trans	-91.8	119.2	175.9	-168.3	174.2	-178.2	-150.4	-2.6	110.3	D72 E73 A74 D75 V76 E198	D72-R104 IonicContact OD1-CZ 3.15Å; D72-R104 IonicContact OD1-NH1 3.84Å; D72-R104 PolarHBondContact OD1-NH1 2.66Å; D72-R104 IonicContact OD1-NH2 2.97Å; D72-R104 IonicContact OD2-CZ 3.72Å; D72-R104 IonicContact OD2-NH1 2.73Å; D72-R104 PolarHBondContact OD2-NH1 2.93Å; D72-R104 VanDerWaalsContact OD2-NH1 3.14Å; D72-R104 IonicContact OD2-NH2 3.77Å; D72-R104 PolarHBondContact OD2-NH2 2.93Å; E73-R104 WeakPolarHBondContact O-CD 3.25Å; E73-R104 PolarHBondContact O-NH1 3.14Å; A74-R104 HydrophobicContact CB-CB 4.43Å; A74-R104 HydrophobicContact CB-CG 4.12Å; D75-R104 WeakPolarHBondContact CB-O 3.48Å; D75-R104 PolarHBondContact N-O 2.92Å; D75-R104 PolarHBondContact OD2-N 2.97Å; V76-R104 PolarHBondContact N-O 3.41Å; R104-E198 WeakPolarHBondContact CG-OE1 3.5Å; R104-E198 IonicContact CZ-OE1 3.06Å; R104-E198 IonicContact CZ-OE2 2.82Å; R104-E198 VanDerWaalsContact CZ-OE2 3.3Å; R104-E198 VanDerWaalsContact NE-CD 3.33Å; R104-E198 IonicContact NE-OE1 3.02Å; R104-E198 PolarHBondContact NE-OE1 3.31Å; R104-E198 IonicContact NE-OE2 3.36Å; R104-E198 PolarHBondContact NE-OE2 2.94Å; R104-E198 IonicContact NH2-OE1 2.78Å; R104-E198 IonicContact NH2-OE2 3.52Å; R104-E198 PolarHBondContact NH2-OE2 2.98Å
105	V	98.9	Very high	98	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.2	-177.9	-176	0	0	0	0	108.8	V76 I78 A89 L92 K93 L103 V197 E198	V76-V105 HydrophobicContact CB-CG2 4.48Å; V76-V105 WeakPolarHBondContact O-CA 3.02Å; I78-V105 HydrophobicContact CD1-CG1 3.64Å; I78-V105 HydrophobicContact CG1-CG1 4.31Å; A89-V105 HydrophobicContact CB-CG1 4.25Å; L92-V105 HydrophobicContact CB-CG2 4.11Å; L92-V105 HydrophobicContact CD1-CG1 4.25Å; L92-V105 HydrophobicContact CD1-CG2 4.21Å; K93-V105 HydrophobicContact CD-CG2 4.07Å; K93-V105 HydrophobicContact CG-CG2 4.42Å; L103-V105 HydrophobicContact CD2-CG2 3.74Å; L103-V105 HydrophobicContact CG-CG2 3.97Å; V105-V197 HydrophobicContact CG1-CG1 4.33Å; V105-E198 PolarHBondContact O-N 3.04Å
106	C	98.8	Very high	98	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.8	178.5	-56.3	0	0	0	0	109.7	A74 V76 V77 I78 E198 Y200	A74-C106 HydrophobicContact CB-CB 4.35Å; A74-C106 VanDerWaalsContact CB-SG 3.59Å; V76-C106 PolarHBondContact O-N 3.33Å; V77-C106 CarbonylContact C-O 3.54Å; V77-C106 WeakPolarHBondContact CA-O 3.44Å; V77-C106 HydrophobicContact CG2-CB 4.47Å; I78-C106 PolarHBondContact N-O 3.41Å; C106-E198 CarbonylContact C-O 3.27Å; C106-E198 WeakPolarHBondContact CA-O 3.35Å; C106-E198 PolarHBondContact SG-OE2 3.27Å; C106-Y200 HydrophobicContact CB-CE2 4.12Å
107	L	98.9	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.5	177.4	-174.1	149.9	0	0	0	110.1	I78 L86 A89 E109 V197 E198 I199 Y200	I78-L107 HydrophobicContact CB-CB 4.27Å; I78-L107 HydrophobicContact CB-CD1 4.19Å; I78-L107 HydrophobicContact CB-CG 4.14Å; I78-L107 HydrophobicContact CG2-CD1 3.87Å; I78-L107 HydrophobicContact CG2-CG 4.17Å; I78-L107 WeakPolarHBondContact O-CA 3.42Å; L86-L107 HydrophobicContact CD2-CD1 4.02Å; L86-L107 HydrophobicContact CG-CD1 4.42Å; A89-L107 HydrophobicContact CB-CD1 4.16Å; L107-E109 HydrophobicContact CD2-CB 4.4Å; L107-V197 HydrophobicContact CB-CG1 4.23Å; L107-E198 PolarHBondContact N-O 3.19Å; L107-I199 HydrophobicContact CD2-CG2 3.95Å; L107-Y200 PolarHBondContact O-N 3.34Å
108	V	98.8	Very high	98	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.3	176	-64.7	0	0	0	0	111.1	I78 V79 G80 Y200 A205 I219 L242	I78-V108 PolarHBondContact O-N 2.66Å; V79-V108 HydrophobicContact CB-CG2 4.49Å; V79-V108 HydrophobicContact CG2-CG2 4.26Å; G80-V108 WeakPolarHBondContact CA-O 3.39Å; G80-V108 PolarHBondContact N-O 2.93Å; V108-Y200 HydrophobicContact CG1-CD2 4.42Å; V108-A205 HydrophobicContact CG2-CB 4.05Å; V108-I219 HydrophobicContact CG2-CD1 4.32Å; V108-L242 HydrophobicContact CG1-CD1 3.51Å
109	E	98.7	Very high	98.1	Very high	24 Å²	24	44.6 Å²	44.6	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.9	174.8	173.7	49.1	-123.2	0	0	110.9	G81 L107 A111 L114 H117 Y200 P201 G202 Y203	G81-E109 PolarHBondContact N-OE2 2.76Å; L107-E109 HydrophobicContact CD2-CB 4.4Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 HydrophobicContact CG-CB 3.74Å; E109-A111 PolarHBondContact O-N 3.14Å; E109-A111 WeakPolarHBondContact OE1-CB 3.43Å; E109-A111 PolarHBondContact OE1-N 2.92Å; E109-L114 HydrophobicContact CB-CD2 4.08Å; E109-L114 HydrophobicContact CG-CD2 4.14Å; E109-H117 IonicContact OE1-ND1 2.67Å; E109-Y200 PolarHBondContact N-O 2.6Å; E109-P201 CarbonylContact O-C 3.55Å; E109-P201 WeakPolarHBondContact O-CA 3.44Å; E109-G202 PolarHBondContact O-N 3.35Å; E109-Y203 CarbonylContact C-O 3.59Å; E109-Y203 PolarHBondContact N-O 2.99Å; E109-Y203 PolarHBondContact O-N 2.66Å
110	K	97.4	Very high	98.1	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.126	20%	0.202	C	C	.	.	S	Bend	trans	-68.6	-28	-178.3	-35.6	-167.2	-56.6	88.3	0	113.1	A204 H593 W608 V610 G614	K110-A204 HydrophobicContact CB-CB 3.87Å; K110-A204 HydrophobicContact CD-CB 3.93Å; K110-A204 HydrophobicContact CG-CB 3.72Å; K110-H593 PolarHBondContact NZ-CE1 3.27Å; K110-H593 PolarHBondContact NZ-ND1 3.15Å; K110-H593 PolarHBondContact NZ-NE2 2.86Å; K110-W608 HydrophobicContact CD-CH2 4.41Å; K110-V610 HydrophobicContact CD-CB 4.28Å; K110-V610 HydrophobicContact CD-CG1 3.4Å; K110-V610 VanDerWaalsContact CD-CG1 3.4Å; K110-G614 WeakPolarHBondContact O-CA 3.48Å; K110-G614 PolarHBondContact O-N 3.32Å
111	A	98	Very high	97.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.165	C	C	.	.	S	Bend	trans	-64.8	139.5	179.4	0	0	0	0	0	110.4	E109 Q113 A116 H117 P201 G202	E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 HydrophobicContact CG-CB 3.74Å; E109-A111 PolarHBondContact O-N 3.14Å; E109-A111 WeakPolarHBondContact OE1-CB 3.43Å; E109-A111 PolarHBondContact OE1-N 2.92Å; A111-Q113 VanDerWaalsContact CB-O 3.24Å; A111-Q113 WeakPolarHBondContact CB-O 3.47Å; A111-Q113 PolarHBondContact O-N 3.38Å; A111-A116 HydrophobicContact CB-CB 4.21Å; A111-H117 WeakPolarHBondContact CA-CE1 3.22Å; A111-H117 VanDerWaalsContact CA-ND1 3.29Å; A111-H117 WeakPolarHBondContact CA-ND1 3.27Å; A111-H117 HydrophobicContact CB-CB 3.93Å; A111-H117 VanDerWaalsContact CB-ND1 3.35Å; A111-H117 WeakPolarHBondContact CB-ND1 3.32Å; A111-H117 PolarHBondContact N-CE1 2.69Å; A111-H117 PolarHBondContact N-ND1 2.88Å; A111-P201 CarbonylContact O-C 3.52Å; A111-G202 PolarHBondContact O-N 2.92Å
112	P	96.6	Very high	97.6	Very high	68 Å²	68	29.4 Å²	29.4	44%	0.442	15%	0.152	S	C	.	.	S	Bend	trans	-63.5	-17.6	-178.2	27	-34.6	0	0	0	113	G614	P112-G614 WeakPolarHBondContact CD-O 3.44Å
113	Q	97.4	Very high	97.7	Very high	100 Å²	100	20.6 Å²	20.6	47%	0.467	11%	0.111	S	C	.	.	S	Bend	trans	-149.7	154.9	168.1	61.4	-177.4	2.8	0	0	108.7	A111 G115 A116	A111-Q113 VanDerWaalsContact CB-O 3.24Å; A111-Q113 WeakPolarHBondContact CB-O 3.47Å; A111-Q113 PolarHBondContact O-N 3.38Å; Q113-G115 PolarHBondContact O-N 2.86Å; Q113-A116 HydrophobicContact CG-CB 3.82Å; Q113-A116 WeakPolarHBondContact O-CB 3.46Å; Q113-A116 PolarHBondContact O-N 2.98Å
114	L	98.3	Very high	97.7	Very high	15 Å²	15	20.5 Å²	20.5	8%	0.079	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141.3	175.9	-68.2	-179.7	0	0	0	111.5	L86 E109 A116 I199	L86-L114 HydrophobicContact CD2-CD1 4.29Å; E109-L114 HydrophobicContact CB-CD2 4.08Å; E109-L114 HydrophobicContact CG-CD2 4.14Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.13Å; L114-I199 HydrophobicContact CD1-CD1 4.06Å; L114-I199 HydrophobicContact CD1-CG2 4.08Å; L114-I199 HydrophobicContact CD2-CG2 4.19Å; L114-I199 HydrophobicContact CG-CG2 4.32Å
115	G	97.9	Very high	97.6	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-19	-176.9	0	0	0	0	0	115.6	Q113 H117 T118	Q113-G115 PolarHBondContact O-N 2.86Å; G115-H117 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-N 2.78Å; G115-T118 VanDerWaalsContact O-CB 3.3Å; G115-T118 WeakPolarHBondContact O-CB 3.45Å; G115-T118 PolarHBondContact O-N 2.94Å
116	A	98.4	Very high	97.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.1	-174.7	0	0	0	0	0	114.9	A111 Q113 L114 P617 Y619	A111-A116 HydrophobicContact CB-CB 4.21Å; Q113-A116 HydrophobicContact CG-CB 3.82Å; Q113-A116 WeakPolarHBondContact O-CB 3.46Å; Q113-A116 PolarHBondContact O-N 2.98Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.13Å; A116-P617 VanDerWaalsContact O-O 3.07Å; A116-Y619 WeakPolarHBondContact CA-O 3.22Å; A116-Y619 VanDerWaalsContact O-CB 3.22Å; A116-Y619 WeakPolarHBondContact O-CB 3.25Å; A116-Y619 VanDerWaalsContact O-CD2 3.3Å; A116-Y619 WeakPolarHBondContact O-CD2 3.44Å; A116-Y619 PolarHBondContact O-N 2.89Å
117	H	98.7	Very high	97.5	Very high	15 Å²	15	27.1 Å²	27.1	7%	0.069	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2.1	169.5	-71	161.2	0	0	0	114.2	E109 A111 G115 H593 G615 G616 P617	E109-H117 IonicContact OE1-ND1 2.67Å; A111-H117 WeakPolarHBondContact CA-CE1 3.22Å; A111-H117 VanDerWaalsContact CA-ND1 3.29Å; A111-H117 WeakPolarHBondContact CA-ND1 3.27Å; A111-H117 HydrophobicContact CB-CB 3.93Å; A111-H117 VanDerWaalsContact CB-ND1 3.35Å; A111-H117 WeakPolarHBondContact CB-ND1 3.32Å; A111-H117 PolarHBondContact N-CE1 2.69Å; A111-H117 PolarHBondContact N-ND1 2.88Å; G115-H117 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-N 2.78Å; H117-H593 AromaticContact CD2-CE1 3.26Å; H117-H593 PolarHBondContact CD2-CE1 3.19Å; H117-H593 AromaticContact CE1-CE1 2.74Å; H117-H593 PolarHBondContact CE1-CE1 2.88Å; H117-H593 AromaticContact CE1-ND1 3.59Å; H117-H593 AromaticContact CE1-NE2 3.64Å; H117-H593 AromaticContact CG-CE1 3.5Å; H117-H593 AromaticContact ND1-CE1 3.21Å; H117-H593 PolarHBondContact ND1-CE1 3.13Å; H117-H593 AromaticContact NE2-CE1 2.7Å; H117-H593 PolarHBondContact NE2-CE1 2.9Å; H117-H593 AromaticContact NE2-ND1 3.62Å; H117-H593 AromaticContact NE2-NE2 3.85Å; H117-G615 PolarHBondContact CE1-O 2.73Å; H117-G615 VanDerWaalsContact CE1-O 3.28Å; H117-G615 PolarHBondContact NE2-O 3.34Å; H117-G616 WeakPolarHBondContact NE2-CA 3.25Å; H117-P617 PolarHBondContact CD2-O 3.21Å
118	T	98.8	Very high	97.4	Very high	19 Å²	19	27.2 Å²	27.2	12%	0.117	14%	0.14	C	C	.	.			trans	-80.8	130.9	179.3	-65.6	0	0	0	0	110.8	G115 L181 V185 Y619	G115-T118 VanDerWaalsContact O-CB 3.3Å; G115-T118 WeakPolarHBondContact O-CB 3.45Å; G115-T118 PolarHBondContact O-N 2.94Å; T118-L181 HydrophobicContact CG2-CB 3.9Å; T118-L181 HydrophobicContact CG2-CD2 3.83Å; T118-L181 HydrophobicContact CG2-CG 3.62Å; T118-V185 HydrophobicContact CG2-CG2 4.03Å; T118-Y619 WeakPolarHBondContact O-CD2 3.5Å
119	L	98.7	Very high	97.4	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.131	14%	0.139	C	C	.	.			trans	-143.9	127.7	174.2	-174.1	146.4	0	0	0	110.6	K281 G367 R369 Y619 M622	L119-K281 HydrophobicContact CD1-CB 4.27Å; L119-K281 HydrophobicContact CD2-CB 4.03Å; L119-K281 HydrophobicContact CG-CB 4.27Å; L119-K281 HydrophobicContact CG-CD 4.38Å; L119-G367 VanDerWaalsContact CD1-CA 3.45Å; L119-R369 HydrophobicContact CB-CB 4.31Å; L119-R369 HydrophobicContact CD2-CB 3.94Å; L119-Y619 HydrophobicContact CB-CD2 4.17Å; L119-Y619 HydrophobicContact CB-CE2 3.88Å; L119-Y619 HydrophobicContact CD1-CD2 4.43Å; L119-Y619 HydrophobicContact CD1-CE1 4.14Å; L119-Y619 HydrophobicContact CD1-CE2 3.81Å; L119-M622 WeakPolarHBondContact CA-OXT 3.31Å; L119-M622 HydrophobicContact CD1-CE 4.01Å; L119-M622 HydrophobicContact CG-CB 4.4Å
120	S	98.3	Very high	97.4	Very high	33 Å²	33	29.7 Å²	29.7	23%	0.231	15%	0.153	C	C	.	.			trans	-161.3	149	175	-178	0	0	0	0	111.6	A122 L181 K281 M622	S120-A122 PolarHBondContact O-N 3.05Å; S120-A122 PolarHBondContact OG-N 2.9Å; S120-L181 VanDerWaalsContact CB-CD2 3.49Å; S120-K281 WeakPolarHBondContact O-CD 3.31Å; S120-K281 PolarHBondContact O-NZ 3.2Å; S120-M622 PolarHBondContact N-OXT 3.04Å
121	G	90.9	Very high	97.5	Very high	10 Å²	10	32.1 Å²	32.1	10%	0.103	17%	0.165	C	C	.	.			trans	-60.9	-37.6	164.8	0	0	0	0	0	111.7	Y315	G121-Y315 VanDerWaalsContact C-CE2 3.48Å; G121-Y315 WeakPolarHBondContact O-CD2 3.37Å; G121-Y315 VanDerWaalsContact O-CE2 3.29Å; G121-Y315 WeakPolarHBondContact O-CE2 3.36Å
122	A	93.9	Very high	97.5	Very high	8 Å²	8	32.2 Å²	32.2	7%	0.066	17%	0.165	C	C	.	.			trans	59.1	67.4	167.5	0	0	0	0	0	117.2	S120 V179 L181	S120-A122 PolarHBondContact O-N 3.05Å; S120-A122 PolarHBondContact OG-N 2.9Å; A122-V179 HydrophobicContact CB-CG2 3.84Å; A122-V179 VanDerWaalsContact CB-O 3.23Å; A122-V179 WeakPolarHBondContact CB-O 3.45Å; A122-V179 PolarHBondContact O-N 3.23Å; A122-L181 HydrophobicContact CB-CB 3.85Å
123	C	97.1	Very high	97.6	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.6	150.7	-176.7	0	0	0	0	108.4	N173 Y177 Y315 K403	C123-N173 VanDerWaalsContact SG-CG 3.6Å; C123-N173 PolarHBondContact SG-OD1 2.94Å; C123-Y177 CarbonylContact C-O 3.56Å; C123-Y177 WeakPolarHBondContact CA-O 3.33Å; C123-Y315 HydrophobicContact CB-CE2 4.15Å; C123-K403 WeakPolarHBondContact O-CD 3.41Å; C123-K403 VanDerWaalsContact O-CE 3.31Å; C123-K403 WeakPolarHBondContact O-CE 3.28Å; C123-K403 WeakPolarHBondContact O-CG 3.39Å
124	L	98.1	Very high	97.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.5	-171.8	-179.6	69.2	0	0	0	112.1	P126 L143 N176 Y177 V179 L184 T405	L124-P126 WeakPolarHBondContact O-CD 3.44Å; L124-L143 HydrophobicContact CD2-CD1 4.12Å; L124-L143 HydrophobicContact CD2-CD2 4.06Å; L124-L143 HydrophobicContact CD2-CG 4.2Å; L124-N176 WeakPolarHBondContact O-CA 3.41Å; L124-N176 VanDerWaalsContact O-CB 3.26Å; L124-N176 WeakPolarHBondContact O-CB 3.3Å; L124-Y177 PolarHBondContact N-O 3.2Å; L124-Y177 PolarHBondContact O-N 2.84Å; L124-V179 HydrophobicContact CB-CG1 4.39Å; L124-V179 HydrophobicContact CB-CG2 4.02Å; L124-V179 HydrophobicContact CD2-CG1 4.3Å; L124-V179 HydrophobicContact CD2-CG2 4.38Å; L124-L184 HydrophobicContact CD2-CD2 3.58Å; L124-T405 HydrophobicContact CD1-CG2 3.64Å
125	E	97.6	Very high	97.6	Very high	32 Å²	32	31.3 Å²	31.3	15%	0.15	17%	0.165	C	C	.	.			trans	-78.9	114.3	161.3	-90.1	173.5	-110.5	0	0	109.1	R127 N176 K401 K403 H406	E125-R127 PolarHBondContact O-N 2.67Å; E125-R127 VanDerWaalsContact O-N 3.16Å; E125-N176 WeakPolarHBondContact CG-OD1 3.5Å; E125-K401 WeakPolarHBondContact OE1-CD 3.46Å; E125-K401 WeakPolarHBondContact OE1-CE 3.37Å; E125-K401 IonicContact OE1-NZ 3.72Å; E125-K401 PolarHBondContact OE1-NZ 3.46Å; E125-K401 IonicContact OE2-NZ 2.74Å; E125-K401 PolarHBondContact OE2-NZ 2.21Å; E125-K403 HydrophobicContact CG-CD 3.99Å; E125-K403 WeakPolarHBondContact OE1-CD 3.49Å; E125-H406 HydrophobicContact CB-CB 3.82Å; E125-H406 WeakPolarHBondContact O-CB 3.44Å; E125-H406 IonicContact OE1-CE1 3.76Å; E125-H406 IonicContact OE1-NE2 3.37Å; E125-H406 IonicContact OE2-CD2 2.79Å; E125-H406 IonicContact OE2-NE2 2.73Å
126	P	97.4	Very high	97.6	Very high	16 Å²	16	32.1 Å²	32.1	10%	0.104	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.9	-167.6	31.9	-38.6	0	0	0	114	L124 A128 L129 I130 L143 G175 Y177	L124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-A128 PolarHBondContact O-N 3.48Å; P126-L129 WeakPolarHBondContact O-CB 3.23Å; P126-L129 PolarHBondContact O-N 3.05Å; P126-I130 HydrophobicContact CB-CD1 3.85Å; P126-I130 HydrophobicContact CB-CG1 4.32Å; P126-I130 HydrophobicContact CG-CD1 4.02Å; P126-I130 WeakPolarHBondContact O-CG1 3.4Å; P126-I130 PolarHBondContact O-N 2.79Å; P126-L143 HydrophobicContact CB-CD2 4.37Å; P126-G175 WeakPolarHBondContact CD-O 3.3Å; P126-G175 WeakPolarHBondContact CG-O 3.47Å; P126-Y177 HydrophobicContact CB-CD2 4.2Å; P126-Y177 HydrophobicContact CB-CE2 4.27Å; P126-Y177 HydrophobicContact CG-CD2 4.15Å; P126-Y177 HydrophobicContact CG-CE2 4.08Å
127	R	97.3	Very high	97.5	Very high	158 Å²	158	38.2 Å²	38.2	60%	0.596	19%	0.193	S	C	*	.	H	α-helix	trans	-50.5	-48.6	-170.5	-176.6	-179.8	-177.4	163	5.8	113.9	E125 E131	E125-R127 PolarHBondContact O-N 2.67Å; E125-R127 VanDerWaalsContact O-N 3.16Å; R127-E131 PolarHBondContact O-N 2.73Å; R127-E131 VanDerWaalsContact O-N 3.1Å
128	A	98.1	Very high	97.5	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-75	-27.1	-178.4	0	0	0	0	0	112.9	P126 L132 H406 M409 K410	P126-A128 PolarHBondContact O-N 3.48Å; A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 3.1Å; A128-L132 VanDerWaalsContact O-N 3.14Å; A128-H406 VanDerWaalsContact CB-O 3.26Å; A128-H406 WeakPolarHBondContact CB-O 3.3Å; A128-M409 HydrophobicContact CB-CB 3.7Å; A128-K410 HydrophobicContact CB-CB 4.09Å
129	L	98.5	Very high	97.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-70.7	-43.5	172.5	178.1	64.1	0	0	0	110.9	P126 E131 L132 F133 W136 L143 L184 W187 M409	P126-L129 WeakPolarHBondContact O-CB 3.23Å; P126-L129 PolarHBondContact O-N 3.05Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 2.96Å; L129-L132 PolarHBondContact O-N 2.94Å; L129-F133 HydrophobicContact CD1-CD2 4.14Å; L129-F133 PolarHBondContact O-N 2.85Å; L129-W136 HydrophobicContact CD2-CB 4.49Å; L129-W136 HydrophobicContact CD2-CG 4.4Å; L129-W136 HydrophobicContact CG-CB 4.32Å; L129-W136 HydrophobicContact CG-CG 4.42Å; L129-L143 HydrophobicContact CD2-CD1 3.73Å; L129-L143 HydrophobicContact CD2-CD2 3.62Å; L129-L143 HydrophobicContact CD2-CG 4.35Å; L129-L184 HydrophobicContact CD2-CD1 4.38Å; L129-W187 HydrophobicContact CD1-CH2 4.3Å; L129-W187 HydrophobicContact CD1-CZ3 3.78Å; L129-M409 HydrophobicContact CB-CE 3.9Å; L129-M409 HydrophobicContact CD1-CE 3.99Å
130	I	98.5	Very high	97.3	Very high	77 Å²	77	49.5 Å²	49.5	40%	0.395	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-34.6	175.5	-67.3	162.8	0	0	0	111.3	P126 F133 P134	P126-I130 HydrophobicContact CB-CD1 3.85Å; P126-I130 HydrophobicContact CB-CG1 4.32Å; P126-I130 HydrophobicContact CG-CD1 4.02Å; P126-I130 WeakPolarHBondContact O-CG1 3.4Å; P126-I130 PolarHBondContact O-N 2.79Å; I130-F133 CarbonylContact O-C 3.6Å; I130-P134 WeakPolarHBondContact O-CA 3.21Å
131	E	98.5	Very high	97.3	Very high	81 Å²	81	48.1 Å²	48.1	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-39.3	176	-160.8	-170.7	101.5	0	0	112.2	R127 L129 K410 I413	R127-E131 PolarHBondContact O-N 2.73Å; R127-E131 VanDerWaalsContact O-N 3.1Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 2.96Å; E131-K410 VanDerWaalsContact CD-NZ 3.26Å; E131-K410 WeakPolarHBondContact OE1-CD 3.36Å; E131-K410 WeakPolarHBondContact OE1-CE 3.34Å; E131-K410 IonicContact OE1-NZ 3.98Å; E131-K410 PolarHBondContact OE1-NZ 2.94Å; E131-K410 IonicContact OE2-NZ 2.75Å; E131-K410 PolarHBondContact OE2-NZ 2.89Å; E131-I413 HydrophobicContact CB-CD1 4.48Å; E131-I413 WeakPolarHBondContact OE1-CG2 3.15Å
132	L	98.6	Very high	97.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-77.4	-36.9	179.2	-171	63.2	0	0	0	113.2	I90 R91 Q94 A128 L129 L188 M409 I413	I90-L132 HydrophobicContact CB-CD1 4.22Å; I90-L132 HydrophobicContact CB-CD2 4.31Å; I90-L132 HydrophobicContact CD1-CD2 4.08Å; I90-L132 HydrophobicContact CG2-CD1 3.62Å; I90-L132 HydrophobicContact CG2-CD2 4.02Å; I90-L132 HydrophobicContact CG2-CG 3.83Å; R91-L132 HydrophobicContact CB-CD1 3.99Å; Q94-L132 PolarHBondContact NE2-O 3.28Å; A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 3.1Å; A128-L132 VanDerWaalsContact O-N 3.14Å; L129-L132 PolarHBondContact O-N 2.94Å; L132-L188 HydrophobicContact CD2-CD2 4.28Å; L132-M409 HydrophobicContact CD2-CE 4.38Å; L132-I413 HydrophobicContact CB-CD1 4.05Å; L132-I413 HydrophobicContact CD1-CD1 4.37Å; L132-I413 HydrophobicContact CD1-CG1 4.17Å
133	F	98.4	Very high	97.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	24%	0.243	C	C	.	.			trans	-139.3	91.1	178.7	-66	-68.6	0	0	0	109.3	I90 L129 I130 D135 W136 W187 L188 Q191	I90-F133 HydrophobicContact CD1-CE2 3.92Å; I90-F133 HydrophobicContact CD1-CZ 4.05Å; I90-F133 HydrophobicContact CG1-CZ 4.43Å; I90-F133 HydrophobicContact CG2-CE1 4.15Å; I90-F133 HydrophobicContact CG2-CE2 3.95Å; I90-F133 HydrophobicContact CG2-CZ 3.45Å; I90-F133 VanDerWaalsContact CG2-CZ 3.45Å; L129-F133 HydrophobicContact CD1-CD2 4.14Å; L129-F133 PolarHBondContact O-N 2.85Å; I130-F133 CarbonylContact O-C 3.6Å; F133-D135 PolarHBondContact O-N 3.11Å; F133-W136 HydrophobicContact CB-CB 3.99Å; F133-W136 WeakPolarHBondContact O-CB 3.34Å; F133-W136 VanDerWaalsContact O-CD1 3.3Å; F133-W136 PolarHBondContact O-N 2.88Å; F133-W187 HydrophobicContact CB-CH2 4.49Å; F133-W187 AromaticContact CD2-CH2 3.63Å; F133-W187 HydrophobicContact CD2-CH2 3.63Å; F133-W187 AromaticContact CD2-CZ3 3.95Å; F133-W187 HydrophobicContact CD2-CZ3 3.95Å; F133-W187 AromaticContact CE2-CH2 3.97Å; F133-W187 HydrophobicContact CE2-CH2 3.97Å; F133-W187 HydrophobicContact CE2-CZ3 4.09Å; F133-W187 HydrophobicContact CG-CH2 4.11Å; F133-L188 HydrophobicContact CE2-CD2 4.07Å; F133-Q191 HydrophobicContact CE1-CB 4.38Å; F133-Q191 HydrophobicContact CE2-CB 4.19Å; F133-Q191 HydrophobicContact CE2-CG 4.49Å; F133-Q191 HydrophobicContact CZ-CB 3.65Å; F133-Q191 HydrophobicContact CZ-CG 4.19Å
134	P	98.1	Very high	97.8	Very high	102 Å²	102	53 Å²	53	66%	0.662	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.1	173.1	-25.6	35.8	0	0	0	112.9	I130	I130-P134 WeakPolarHBondContact O-CA 3.21Å
135	D	97.7	Very high	97.8	Very high	58 Å²	58	52.9 Å²	52.9	31%	0.31	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	23.5	179.9	61.8	-20.4	0	0	0	113.5	F133 K137 E138 R139	F133-D135 PolarHBondContact O-N 3.11Å; D135-K137 PolarHBondContact O-N 3.02Å; D135-K137 VanDerWaalsContact O-N 3.09Å; D135-E138 VanDerWaalsContact C-OE2 3.29Å; D135-E138 WeakPolarHBondContact CA-OE2 3.49Å; D135-E138 PolarHBondContact O-N 2.82Å; D135-R139 WeakPolarHBondContact O-CG 3.46Å; D135-R139 PolarHBondContact O-N 2.72Å; D135-R139 IonicContact OD1-NE 3.29Å; D135-R139 PolarHBondContact OD1-NE 2.88Å; D135-R139 IonicContact OD2-CZ 3.73Å; D135-R139 IonicContact OD2-NE 2.83Å; D135-R139 PolarHBondContact OD2-NE 2.87Å; D135-R139 IonicContact OD2-NH2 3.77Å; D135-R139 PolarHBondContact OD2-NH2 2.92Å
136	W	97.9	Very high	97.8	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.076	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.1	-176.3	68.2	-95.5	0	0	0	114.6	L129 F133 G140 A141 L143 Y177 W187	L129-W136 HydrophobicContact CD2-CB 4.49Å; L129-W136 HydrophobicContact CD2-CG 4.4Å; L129-W136 HydrophobicContact CG-CB 4.32Å; L129-W136 HydrophobicContact CG-CG 4.42Å; F133-W136 HydrophobicContact CB-CB 3.99Å; F133-W136 WeakPolarHBondContact O-CB 3.34Å; F133-W136 VanDerWaalsContact O-CD1 3.3Å; F133-W136 PolarHBondContact O-N 2.88Å; W136-G140 PolarHBondContact O-N 2.83Å; W136-A141 HydrophobicContact CB-CB 4.17Å; W136-A141 HydrophobicContact CE3-CB 3.93Å; W136-A141 WeakPolarHBondContact O-CB 3.37Å; W136-A141 PolarHBondContact O-N 2.97Å; W136-L143 HydrophobicContact CE3-CB 4.32Å; W136-L143 HydrophobicContact CE3-CD2 4.34Å; W136-L143 HydrophobicContact CH2-CB 3.72Å; W136-L143 HydrophobicContact CH2-CD2 3.85Å; W136-L143 HydrophobicContact CH2-CG 4.45Å; W136-L143 HydrophobicContact CZ2-CD2 4.13Å; W136-L143 HydrophobicContact CZ3-CB 3.49Å; W136-L143 VanDerWaalsContact CZ3-CB 3.49Å; W136-L143 HydrophobicContact CZ3-CD2 4Å; W136-L143 HydrophobicContact CZ3-CG 4.29Å; W136-Y177 HydrophobicContact CH2-CE1 4.24Å; W136-Y177 HydrophobicContact CZ2-CE2 4.46Å; W136-W187 HydrophobicContact CB-CH2 4.41Å
137	K	96.6	Very high	97.8	Very high	129 Å²	129	54.5 Å²	54.5	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-45.2	-179.7	-70.8	-178.6	177.4	-178.6	0	111	D135 R139 G140	D135-K137 PolarHBondContact O-N 3.02Å; D135-K137 VanDerWaalsContact O-N 3.09Å; K137-R139 VanDerWaalsContact C-N 3.27Å; K137-R139 PolarHBondContact O-N 3.39Å; K137-G140 PolarHBondContact O-N 3.39Å
138	E	97.6	Very high	97.8	Very high	151 Å²	151	51.9 Å²	51.9	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-35.6	178.2	-64.6	71.6	-162.4	0	0	110.4	D135 G140	D135-E138 VanDerWaalsContact C-OE2 3.29Å; D135-E138 WeakPolarHBondContact CA-OE2 3.49Å; D135-E138 PolarHBondContact O-N 2.82Å; E138-G140 VanDerWaalsContact C-N 3.26Å; E138-G140 PolarHBondContact O-N 3.42Å
139	R	97.2	Very high	97.8	Very high	97 Å²	97	55.6 Å²	55.6	37%	0.366	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.2	170.9	-64.7	171.9	173.3	-74.5	-18.2	115	D135 K137 W187 Q191	D135-R139 WeakPolarHBondContact O-CG 3.46Å; D135-R139 PolarHBondContact O-N 2.72Å; D135-R139 IonicContact OD1-NE 3.29Å; D135-R139 PolarHBondContact OD1-NE 2.88Å; D135-R139 IonicContact OD2-CZ 3.73Å; D135-R139 IonicContact OD2-NE 2.83Å; D135-R139 PolarHBondContact OD2-NE 2.87Å; D135-R139 IonicContact OD2-NH2 3.77Å; D135-R139 PolarHBondContact OD2-NH2 2.92Å; K137-R139 VanDerWaalsContact C-N 3.27Å; K137-R139 PolarHBondContact O-N 3.39Å; R139-W187 HydrophobicContact CB-CZ2 3.71Å; R139-W187 PolarHBondContact O-NE1 3.37Å; R139-Q191 VanDerWaalsContact CD-OE1 3.3Å
140	G	97.6	Very high	97.8	Very high	48 Å²	48	57.5 Å²	57.5	50%	0.495	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	26.3	174	0	0	0	0	0	116.4	W136 K137 E138	W136-G140 PolarHBondContact O-N 2.83Å; K137-G140 PolarHBondContact O-N 3.39Å; E138-G140 VanDerWaalsContact C-N 3.26Å; E138-G140 PolarHBondContact O-N 3.42Å
141	A	98.1	Very high	97.7	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.033	29%	0.289	C	S	.	.			trans	-58.9	139.3	178.8	0	0	0	0	0	111.7	W136 L143 W187	W136-A141 HydrophobicContact CB-CB 4.17Å; W136-A141 HydrophobicContact CE3-CB 3.93Å; W136-A141 WeakPolarHBondContact O-CB 3.37Å; W136-A141 PolarHBondContact O-N 2.97Å; A141-L143 HydrophobicContact CB-CD1 4.37Å; A141-L143 PolarHBondContact O-N 3.11Å; A141-W187 HydrophobicContact CB-CD2 3.76Å; A141-W187 HydrophobicContact CB-CE3 3.82Å; A141-W187 HydrophobicContact CB-CH2 3.62Å; A141-W187 HydrophobicContact CB-CZ2 3.53Å; A141-W187 HydrophobicContact CB-CZ3 3.75Å
142	P	97.3	Very high	97.7	Very high	17 Å²	17	51.9 Å²	51.9	11%	0.11	28%	0.277	C	S	.	.	S	Bend	trans	-79.2	61.8	-167.7	31.6	-37.5	0	0	0	114	N183 L184 W187	P142-N183 HydrophobicContact CG-CB 4.34Å; P142-L184 HydrophobicContact CG-CB 4.14Å; P142-L184 HydrophobicContact CG-CD1 4.31Å; P142-W187 HydrophobicContact CG-CB 4.4Å
143	L	97.6	Very high	97.6	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	28%	0.277	C	S	.	.			trans	-110.2	57	177.9	-85.9	67.5	0	0	0	110.2	L124 P126 L129 W136 A141 Y177 V179 L184	L124-L143 HydrophobicContact CD2-CD1 4.12Å; L124-L143 HydrophobicContact CD2-CD2 4.06Å; L124-L143 HydrophobicContact CD2-CG 4.2Å; P126-L143 HydrophobicContact CB-CD2 4.37Å; L129-L143 HydrophobicContact CD2-CD1 3.73Å; L129-L143 HydrophobicContact CD2-CD2 3.62Å; L129-L143 HydrophobicContact CD2-CG 4.35Å; W136-L143 HydrophobicContact CE3-CB 4.32Å; W136-L143 HydrophobicContact CE3-CD2 4.34Å; W136-L143 HydrophobicContact CH2-CB 3.72Å; W136-L143 HydrophobicContact CH2-CD2 3.85Å; W136-L143 HydrophobicContact CH2-CG 4.45Å; W136-L143 HydrophobicContact CZ2-CD2 4.13Å; W136-L143 HydrophobicContact CZ3-CB 3.49Å; W136-L143 VanDerWaalsContact CZ3-CB 3.49Å; W136-L143 HydrophobicContact CZ3-CD2 4Å; W136-L143 HydrophobicContact CZ3-CG 4.29Å; A141-L143 HydrophobicContact CB-CD1 4.37Å; A141-L143 PolarHBondContact O-N 3.11Å; L143-Y177 HydrophobicContact CB-CD1 3.85Å; L143-Y177 HydrophobicContact CB-CE1 4.32Å; L143-Y177 HydrophobicContact CB-CG 4.05Å; L143-Y177 HydrophobicContact CD2-CD2 3.95Å; L143-Y177 HydrophobicContact CD2-CE2 4.42Å; L143-Y177 HydrophobicContact CD2-CG 4.04Å; L143-Y177 HydrophobicContact CG-CD1 4.45Å; L143-Y177 HydrophobicContact CG-CG 4.13Å; L143-Y177 WeakPolarHBondContact O-CD1 3.45Å; L143-Y177 WeakPolarHBondContact O-CE1 3.49Å; L143-V179 HydrophobicContact CB-CG1 4.48Å; L143-V179 HydrophobicContact CD1-CG1 4.04Å; L143-V179 HydrophobicContact CG-CG1 3.81Å; L143-L184 HydrophobicContact CD1-CD1 3.88Å; L143-L184 HydrophobicContact CD1-CD2 4.23Å
144	H	96.3	Very high	97.7	Very high	102 Å²	102	52.8 Å²	52.8	47%	0.472	28%	0.282	S	S	.	.			trans	-80.7	-14.6	-173.2	-50.7	-55.8	0	0	0	114.7	P146 E319	H144-P146 VanDerWaalsContact O-CD 3.26Å; H144-P146 WeakPolarHBondContact O-CD 3.23Å; H144-E319 HydrophobicContact CB-CG 4.45Å
145	T	98.1	Very high	97.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	85.3	-171.9	-42.6	0	0	0	0	111.6	Y177 I178 N318	T145-Y177 CarbonylContact O-C 3.56Å; T145-Y177 WeakPolarHBondContact O-CA 3.11Å; T145-I178 VanDerWaalsContact CB-O 3.31Å; T145-I178 WeakPolarHBondContact CB-O 3.43Å; T145-I178 HydrophobicContact CG2-CB 3.85Å; T145-I178 HydrophobicContact CG2-CD1 3.88Å; T145-I178 HydrophobicContact CG2-CG1 4.15Å; T145-I178 PolarHBondContact O-N 2.67Å; T145-N318 HydrophobicContact CG2-CB 3.64Å; T145-N318 WeakPolarHBondContact OG1-CA 3.46Å; T145-N318 WeakPolarHBondContact OG1-CB 3.45Å; T145-N318 PolarHBondContact OG1-N 3.25Å
146	P	98.1	Very high	97.7	Very high	64 Å²	64	48.2 Å²	48.2	42%	0.416	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143.3	169.1	28.7	-34.5	0	0	0	110.1	H144 T148 Y177 G294	H144-P146 VanDerWaalsContact O-CD 3.26Å; H144-P146 WeakPolarHBondContact O-CD 3.23Å; P146-T148 PolarHBondContact O-N 2.93Å; P146-Y177 HydrophobicContact CB-CD1 4.26Å; P146-Y177 HydrophobicContact CB-CE1 4.04Å; P146-G294 WeakPolarHBondContact O-CA 3.19Å
147	V	98.2	Very high	97.7	Very high	18 Å²	18	52.7 Å²	52.7	11%	0.109	28%	0.275	C	S	.	.			trans	-73.3	126.7	175.8	178.1	0	0	0	0	110.3	D150 N173 N176 I178 G294 T296	V147-D150 WeakPolarHBondContact CG1-OD1 3.23Å; V147-N173 HydrophobicContact CB-CB 4.22Å; V147-N173 HydrophobicContact CG1-CB 3.86Å; V147-N173 HydrophobicContact CG2-CB 4.15Å; V147-N176 HydrophobicContact CG2-CB 4.24Å; V147-N176 PolarHBondContact N-O 3.02Å; V147-I178 HydrophobicContact CG2-CD1 4.43Å; V147-I178 HydrophobicContact CG2-CG1 3.8Å; V147-G294 CarbonylContact C-O 3.2Å; V147-G294 WeakPolarHBondContact CA-O 3.18Å; V147-T296 HydrophobicContact CG1-CG2 3.88Å; V147-T296 HydrophobicContact CG2-CG2 3.87Å
148	T	97.6	Very high	97.7	Very high	103 Å²	103	53.4 Å²	53.4	63%	0.632	28%	0.278	S	S	*	.			trans	-112.8	-28.1	-176.4	54.2	0	0	0	0	113.2	P146 P293 G294	P146-T148 PolarHBondContact O-N 2.93Å; T148-P293 PolarHBondContact OG1-O 3.17Å; T148-G294 PolarHBondContact N-O 3.08Å; T148-G294 WeakPolarHBondContact OG1-CA 3.23Å; T148-G294 PolarHBondContact OG1-O 2.77Å
149	E	97.4	Very high	97.7	Very high	81 Å²	81	52.2 Å²	52.2	38%	0.379	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	135.3	-179.1	-172.4	-172.1	175.3	0	0	110.2	V151 R295 T296	E149-V151 HydrophobicContact CG-CG2 4.11Å; E149-R295 HydrophobicContact CB-CB 4.34Å; E149-R295 HydrophobicContact CB-CG 4.22Å; E149-R295 HydrophobicContact CG-CG 4.45Å; E149-R295 CarbonylContact O-C 3.59Å; E149-R295 WeakPolarHBondContact O-CA 3.28Å; E149-R295 IonicContact OE1-CZ 3.41Å; E149-R295 IonicContact OE1-NE 3.56Å; E149-R295 PolarHBondContact OE1-NE 3.01Å; E149-R295 IonicContact OE1-NH2 3.49Å; E149-R295 PolarHBondContact OE1-NH2 2.81Å; E149-R295 IonicContact OE2-CZ 2.94Å; E149-R295 IonicContact OE2-NE 2.96Å; E149-R295 PolarHBondContact OE2-NE 2.93Å; E149-R295 IonicContact OE2-NH2 2.66Å; E149-R295 PolarHBondContact OE2-NH2 3.44Å; E149-T296 PolarHBondContact O-N 2.79Å
150	D	97.6	Very high	97.8	Very high	40 Å²	40	51 Å²	51	21%	0.214	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	172.2	-68.4	-44.4	0	0	0	110.4	V147 I165 N173 T296	V147-D150 WeakPolarHBondContact CG1-OD1 3.23Å; D150-I165 HydrophobicContact CB-CD1 3.56Å; D150-N173 VanDerWaalsContact OD1-CB 3.31Å; D150-N173 WeakPolarHBondContact OD1-CB 3.49Å; D150-N173 PolarHBondContact OD1-ND2 2.87Å; D150-N173 PolarHBondContact OD2-N 2.97Å; D150-T296 PolarHBondContact OD1-OG1 2.93Å
151	V	97.3	Very high	97.8	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121	-178.3	179.8	0	0	0	0	110.1	E149 R295 T296 E297 H298	E149-V151 HydrophobicContact CG-CG2 4.11Å; V151-R295 HydrophobicContact CG2-CG 4.47Å; V151-T296 PolarHBondContact N-O 2.97Å; V151-E297 HydrophobicContact CB-CB 4.31Å; V151-E297 HydrophobicContact CB-CG 4.06Å; V151-E297 HydrophobicContact CG2-CG 4.35Å; V151-E297 CarbonylContact O-C 3.46Å; V151-E297 WeakPolarHBondContact O-CA 3.45Å; V151-H298 PolarHBondContact O-N 2.81Å
152	F	97.9	Very high	97.8	Very high	30 Å²	30	57 Å²	57	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.9	171.1	-164.3	-83.1	0	0	0	110.4	V163 I165 M171 H298 V300 M473	F152-V163 HydrophobicContact CB-CB 4.49Å; F152-V163 HydrophobicContact CD1-CB 3.82Å; F152-V163 HydrophobicContact CD1-CG1 4.35Å; F152-V163 HydrophobicContact CD1-CG2 3.85Å; F152-V163 HydrophobicContact CE1-CG2 4.35Å; F152-V163 PolarHBondContact O-N 3.09Å; F152-V163 VanDerWaalsContact O-N 3.08Å; F152-I165 HydrophobicContact CB-CD1 3.86Å; F152-I165 HydrophobicContact CB-CG1 3.84Å; F152-M171 HydrophobicContact CD2-CG 4.16Å; F152-M171 HydrophobicContact CD2-SD 3.95Å; F152-M171 HydrophobicContact CE2-CG 4.29Å; F152-M171 HydrophobicContact CE2-SD 3.78Å; F152-H298 WeakPolarHBondContact CA-O 3.33Å; F152-H298 HydrophobicContact CD2-CB 3.72Å; F152-H298 HydrophobicContact CE2-CB 4.11Å; F152-V300 HydrophobicContact CE1-CG2 3.7Å; F152-V300 HydrophobicContact CE2-CG1 4.42Å; F152-V300 HydrophobicContact CZ-CB 4.39Å; F152-V300 HydrophobicContact CZ-CG1 3.73Å; F152-V300 HydrophobicContact CZ-CG2 3.75Å; F152-M473 HydrophobicContact CE1-CE 3.85Å
153	S	98	Very high	97.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.6	179.5	-70.1	0	0	0	0	113.9	R160 I161 H298 S299 V300	S153-R160 PolarHBondContact OG-NE 3.02Å; S153-I161 CarbonylContact C-O 3.57Å; S153-I161 VanDerWaalsContact CA-O 3.29Å; S153-I161 WeakPolarHBondContact CA-O 3.08Å; S153-I161 WeakPolarHBondContact CB-O 3.48Å; S153-H298 PolarHBondContact N-O 3.19Å; S153-S299 VanDerWaalsContact O-CA 3.24Å; S153-S299 WeakPolarHBondContact O-CA 3.49Å; S153-V300 PolarHBondContact O-N 2.76Å
154	I	98.6	Very high	97.5	Very high	22 Å²	22	62 Å²	62	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	166	-54.4	169.9	0	0	0	107.3	I161 V163 V300 Y470 M473	I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 2.72Å; I154-I161 PolarHBondContact O-N 2.72Å; I154-V163 HydrophobicContact CD1-CG2 4.15Å; I154-V163 HydrophobicContact CG1-CG2 3.89Å; I154-V300 CarbonylContact C-O 3.25Å; I154-V300 WeakPolarHBondContact CA-O 3.39Å; I154-V300 HydrophobicContact CG1-CG2 4.03Å; I154-Y470 HydrophobicContact CD1-CE1 4.42Å; I154-Y470 HydrophobicContact CG2-CE1 4.35Å; I154-M473 HydrophobicContact CD1-CE 3.85Å; I154-M473 HydrophobicContact CD1-SD 3.9Å; I154-M473 HydrophobicContact CG1-CE 4.04Å; I154-M473 HydrophobicContact CG1-SD 4.17Å
155	F	98.6	Very high	97.3	Very high	11 Å²	11	59.3 Å²	59.3	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.6	175.2	-69.3	-7.1	0	0	0	111.2	R160 S299 V300 W302 W348 H351 I354	F155-R160 HydrophobicContact CD1-CB 4.09Å; F155-R160 HydrophobicContact CD1-CG 4.18Å; F155-R160 HydrophobicContact CE1-CB 4Å; F155-R160 HydrophobicContact CE1-CG 3.81Å; F155-S299 WeakPolarHBondContact CD2-OG 3.2Å; F155-S299 VanDerWaalsContact CE2-OG 3.27Å; F155-S299 WeakPolarHBondContact CE2-OG 3.48Å; F155-V300 PolarHBondContact N-O 3.21Å; F155-W302 HydrophobicContact CB-CB 4.18Å; F155-W302 WeakPolarHBondContact O-CB 3.17Å; F155-W302 PolarHBondContact O-N 3Å; F155-W348 AromaticContact CD2-NE1 3.85Å; F155-W348 AromaticContact CE2-NE1 3.59Å; F155-H351 AromaticContact CD1-CE1 3.41Å; F155-H351 VanDerWaalsContact CD1-CE1 3.41Å; F155-H351 WeakPolarHBondContact CD1-CE1 3.39Å; F155-H351 AromaticContact CD1-ND1 3.93Å; F155-H351 HydrophobicContact CD2-CB 4.32Å; F155-H351 AromaticContact CD2-CE1 3.58Å; F155-H351 AromaticContact CD2-CG 3.72Å; F155-H351 AromaticContact CD2-ND1 3.31Å; F155-H351 VanDerWaalsContact CD2-ND1 3.31Å; F155-H351 WeakPolarHBondContact CD2-ND1 3.38Å; F155-H351 AromaticContact CE1-CE1 3.63Å; F155-H351 AromaticContact CE1-ND1 3.88Å; F155-H351 HydrophobicContact CE2-CB 4.42Å; F155-H351 AromaticContact CE2-CE1 3.78Å; F155-H351 AromaticContact CE2-CG 3.97Å; F155-H351 AromaticContact CE2-ND1 3.25Å; F155-H351 WeakPolarHBondContact CE2-ND1 3.49Å; F155-H351 AromaticContact CG-CE1 3.39Å; F155-H351 WeakPolarHBondContact CG-CE1 3.46Å; F155-H351 AromaticContact CG-ND1 3.66Å; F155-H351 AromaticContact CG-NE2 3.83Å; F155-H351 AromaticContact CZ-CE1 3.81Å; F155-H351 AromaticContact CZ-ND1 3.55Å; F155-I354 HydrophobicContact CE2-CD1 3.98Å; F155-I354 HydrophobicContact CE2-CG1 3.78Å; F155-I354 HydrophobicContact CZ-CD1 3.98Å; F155-I354 HydrophobicContact CZ-CG1 4.19Å
156	T	98.3	Very high	96.9	Very high	53 Å²	53	62.4 Å²	62.4	33%	0.325	33%	0.329	S	S	.	.			trans	-99.8	179.2	155.4	64.6	0	0	0	0	107.9	K158 H159 W302 H351	T156-K158 PolarHBondContact O-N 2.97Å; T156-K158 VanDerWaalsContact O-N 3.14Å; T156-H159 PolarHBondContact N-O 2.79Å; T156-H159 WeakPolarHBondContact OG1-CA 3.24Å; T156-H159 WeakPolarHBondContact OG1-CB 3.4Å; T156-H159 PolarHBondContact OG1-N 2.78Å; T156-H159 PolarHBondContact OG1-O 2.64Å; T156-W302 VanDerWaalsContact C-CB 3.49Å; T156-H351 PolarHBondContact O-CD2 3.04Å; T156-H351 VanDerWaalsContact O-CD2 3.28Å; T156-H351 PolarHBondContact O-NE2 2.79Å
157	E	97.4	Very high	96.4	Very high	115 Å²	115	63.9 Å²	63.9	54%	0.537	34%	0.339	S	S	.	.	S	Bend	trans	-57.9	-29.4	178.4	-176.9	172.8	-141.5	0	0	114.1	W302	E157-W302 VanDerWaalsContact CA-CD1 3.49Å; E157-W302 HydrophobicContact CB-CG 4.33Å; E157-W302 HydrophobicContact CG-CZ2 4.31Å
158	K	97.4	Very high	95.9	Very high	144 Å²	144	64.3 Å²	64.3	63%	0.626	35%	0.347	S	S	*	.	S	Bend	trans	-124.2	-18.7	-172.3	-62.3	-178.6	177.7	177.3	0	114.7	T156	T156-K158 PolarHBondContact O-N 2.97Å; T156-K158 VanDerWaalsContact O-N 3.14Å
159	H	98	Very high	95.6	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.579	33%	0.326	S	S	*	.			trans	-131.9	140.7	-170.3	-47.1	98.5	0	0	0	112	T156	T156-H159 PolarHBondContact N-O 2.79Å; T156-H159 WeakPolarHBondContact OG1-CA 3.24Å; T156-H159 WeakPolarHBondContact OG1-CB 3.4Å; T156-H159 PolarHBondContact OG1-N 2.78Å; T156-H159 PolarHBondContact OG1-O 2.64Å
160	R	97.9	Very high	95.1	Very high	71 Å²	71	57.8 Å²	57.8	27%	0.268	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.1	168.1	170.9	176.2	171.7	-158.7	-12.7	110.2	S153 F155 F353	S153-R160 PolarHBondContact OG-NE 3.02Å; F155-R160 HydrophobicContact CD1-CB 4.09Å; F155-R160 HydrophobicContact CD1-CG 4.18Å; F155-R160 HydrophobicContact CE1-CB 4Å; F155-R160 HydrophobicContact CE1-CG 3.81Å; R160-F353 HydrophobicContact CB-CD1 4.05Å; R160-F353 HydrophobicContact CB-CD2 3.62Å; R160-F353 HydrophobicContact CB-CE1 3.94Å; R160-F353 HydrophobicContact CB-CE2 3.51Å; R160-F353 HydrophobicContact CB-CG 3.89Å; R160-F353 HydrophobicContact CB-CZ 3.67Å; R160-F353 HydrophobicContact CG-CD1 4.47Å; R160-F353 HydrophobicContact CG-CE1 4.49Å
161	I	98.4	Very high	94.6	Very high	88 Å²	88	57 Å²	57	45%	0.451	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.8	168.5	-56.9	171.1	0	0	0	107.1	S153 I154	S153-I161 CarbonylContact C-O 3.57Å; S153-I161 VanDerWaalsContact CA-O 3.29Å; S153-I161 WeakPolarHBondContact CA-O 3.08Å; S153-I161 WeakPolarHBondContact CB-O 3.48Å; I154-I161 HydrophobicContact CB-CB 4.31Å; I154-I161 PolarHBondContact N-O 2.72Å; I154-I161 PolarHBondContact O-N 2.72Å
162	P	97.1	Very high	94.3	Very high	91 Å²	91	60.1 Å²	60.1	59%	0.591	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.6	176.4	29.4	-33.9	0	0	0	110.6
163	V	96.4	Very high	94.2	Very high	41 Å²	41	58.7 Å²	58.7	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.3	174.8	-176.3	0	0	0	0	108.3	F152 I154 I165 M473	F152-V163 HydrophobicContact CB-CB 4.49Å; F152-V163 HydrophobicContact CD1-CB 3.82Å; F152-V163 HydrophobicContact CD1-CG1 4.35Å; F152-V163 HydrophobicContact CD1-CG2 3.85Å; F152-V163 HydrophobicContact CE1-CG2 4.35Å; F152-V163 PolarHBondContact O-N 3.09Å; F152-V163 VanDerWaalsContact O-N 3.08Å; I154-V163 HydrophobicContact CD1-CG2 4.15Å; I154-V163 HydrophobicContact CG1-CG2 3.89Å; V163-I165 PolarHBondContact O-N 3.09Å; V163-M473 HydrophobicContact CG2-CE 4.27Å
164	P	92.4	Very high	93.9	Very high	90 Å²	90	66.1 Å²	66.1	58%	0.584	35%	0.348	S	S	*	.			trans	-68.8	120.1	179.4	27.3	-33.4	0	0	0	110.8	L166	P164-L166 HydrophobicContact CB-CD2 4.22Å; P164-L166 HydrophobicContact CB-CG 4.48Å; P164-L166 PolarHBondContact O-N 2.85Å
165	I	91.9	Very high	93.7	Very high	45 Å²	45	67.2 Å²	67.2	23%	0.231	37%	0.365	C	S	.	.			trans	-81.2	97	170.2	-57	178.7	0	0	0	107.8	D150 F152 V163 Q172	D150-I165 HydrophobicContact CB-CD1 3.56Å; F152-I165 HydrophobicContact CB-CD1 3.86Å; F152-I165 HydrophobicContact CB-CG1 3.84Å; V163-I165 PolarHBondContact O-N 3.09Å; I165-Q172 HydrophobicContact CG2-CB 4.26Å
166	L	90.4	Very high	93.7	Very high	66 Å²	66	67.3 Å²	67.3	35%	0.346	37%	0.366	S	S	.	.			trans	-82.7	147.7	176.8	-58.1	179.5	0	0	0	111.3	P164 G168 L169 W481	P164-L166 HydrophobicContact CB-CD2 4.22Å; P164-L166 HydrophobicContact CB-CG 4.48Å; P164-L166 PolarHBondContact O-N 2.85Å; L166-G168 PolarHBondContact O-N 2.88Å; L166-L169 HydrophobicContact CB-CD1 4.31Å; L166-L169 WeakPolarHBondContact O-CB 3.41Å; L166-L169 PolarHBondContact O-N 2.72Å; L166-W481 HydrophobicContact CB-CZ2 4.4Å; L166-W481 HydrophobicContact CD1-CH2 3.85Å; L166-W481 HydrophobicContact CD1-CZ2 3.38Å
167	P	88.4	Confident	93.7	Very high	95 Å²	95	66.9 Å²	66.9	62%	0.617	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	131.4	176.3	-30.2	36.6	0	0	0	113.5
168	G	86.9	Confident	93.7	Very high	27 Å²	27	61.4 Å²	61.4	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	10.1	-177.1	0	0	0	0	0	115.3	L166 Y480 R484	L166-G168 PolarHBondContact O-N 2.88Å; G168-Y480 WeakPolarHBondContact O-CE1 3.39Å; G168-R484 PolarHBondContact O-NH1 2.76Å
169	L	90.8	Very high	93.8	Very high	37 Å²	37	54.7 Å²	54.7	19%	0.194	30%	0.304	C	S	.	.	S	Bend	trans	-71.9	150.9	154	-80.6	172.9	0	0	0	109.7	L166 M171 Q172 T476 W481	L166-L169 HydrophobicContact CB-CD1 4.31Å; L166-L169 WeakPolarHBondContact O-CB 3.41Å; L166-L169 PolarHBondContact O-N 2.72Å; L169-M171 PolarHBondContact O-N 3.29Å; L169-Q172 WeakPolarHBondContact O-CB 3.41Å; L169-Q172 PolarHBondContact O-N 3.34Å; L169-T476 HydrophobicContact CD2-CG2 4.3Å; L169-W481 HydrophobicContact CD2-CB 3.8Å; L169-W481 HydrophobicContact CD2-CG 4.17Å; L169-W481 HydrophobicContact CG-CB 4.45Å; L169-W481 HydrophobicContact CG-CG 4.32Å
170	P	87.9	Confident	93.8	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.058	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.8	-173.9	30.5	-32.5	0	0	0	112.5	Q172 P400 K401 Y480	P170-Q172 VanDerWaalsContact C-N 3.27Å; P170-Q172 PolarHBondContact O-N 2.95Å; P170-P400 HydrophobicContact CB-CB 4.36Å; P170-P400 HydrophobicContact CG-CB 3.98Å; P170-K401 HydrophobicContact CB-CG 4.03Å; P170-K401 WeakPolarHBondContact O-CG 3.49Å; P170-Y480 HydrophobicContact CB-CE1 3.93Å; P170-Y480 VanDerWaalsContact CD-CE1 3.48Å; P170-Y480 HydrophobicContact CG-CD1 4.23Å; P170-Y480 HydrophobicContact CG-CE1 3.99Å
171	M	87.4	Confident	93.8	Very high	24 Å²	24	47.6 Å²	47.6	12%	0.118	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.9	179.9	-59.4	-91.6	52	0	0	113.6	F152 L169 N173 P400 I402	F152-M171 HydrophobicContact CD2-CG 4.16Å; F152-M171 HydrophobicContact CD2-SD 3.95Å; F152-M171 HydrophobicContact CE2-CG 4.29Å; F152-M171 HydrophobicContact CE2-SD 3.78Å; L169-M171 PolarHBondContact O-N 3.29Å; M171-N173 PolarHBondContact O-ND2 2.88Å; M171-N173 VanDerWaalsContact O-ND2 3.16Å; M171-P400 VanDerWaalsContact CE-O 3.27Å; M171-P400 WeakPolarHBondContact CE-O 3.48Å; M171-I402 HydrophobicContact CE-CD1 4.37Å; M171-I402 HydrophobicContact CE-CG1 4.19Å
172	Q	91	Very high	93.9	Very high	76 Å²	76	43.4 Å²	43.4	36%	0.355	25%	0.251	S	S	.	.			trans	-73.4	130.5	172.8	-173.9	-179	8.2	0	0	110.5	I165 L169 P170 H174	I165-Q172 HydrophobicContact CG2-CB 4.26Å; L169-Q172 WeakPolarHBondContact O-CB 3.41Å; L169-Q172 PolarHBondContact O-N 3.34Å; P170-Q172 VanDerWaalsContact C-N 3.27Å; P170-Q172 PolarHBondContact O-N 2.95Å; Q172-H174 HydrophobicContact CG-CB 4.3Å
173	N	94.3	Very high	93.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.			trans	-116.8	20.7	-176.2	-58.7	-60.9	0	0	0	113.8	C123 V147 D150 M171 G175 N176 T296 K403	C123-N173 VanDerWaalsContact SG-CG 3.6Å; C123-N173 PolarHBondContact SG-OD1 2.94Å; V147-N173 HydrophobicContact CB-CB 4.22Å; V147-N173 HydrophobicContact CG1-CB 3.86Å; V147-N173 HydrophobicContact CG2-CB 4.15Å; D150-N173 VanDerWaalsContact OD1-CB 3.31Å; D150-N173 WeakPolarHBondContact OD1-CB 3.49Å; D150-N173 PolarHBondContact OD1-ND2 2.87Å; D150-N173 PolarHBondContact OD2-N 2.97Å; M171-N173 PolarHBondContact O-ND2 2.88Å; M171-N173 VanDerWaalsContact O-ND2 3.16Å; N173-G175 PolarHBondContact O-N 3.28Å; N173-N176 VanDerWaalsContact CA-ND2 3.33Å; N173-N176 WeakPolarHBondContact CA-ND2 3.45Å; N173-N176 HydrophobicContact CB-CB 4.17Å; N173-N176 WeakPolarHBondContact O-CB 3.46Å; N173-N176 PolarHBondContact O-N 2.92Å; N173-N176 PolarHBondContact OD1-ND2 3.03Å; N173-T296 PolarHBondContact ND2-OG1 2.67Å; N173-K403 WeakPolarHBondContact OD1-CE 3.19Å; N173-K403 PolarHBondContact OD1-NZ 2.74Å
174	H	92.1	Very high	94	Very high	159 Å²	159	38.8 Å²	38.8	74%	0.736	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	124.7	175.9	-174.9	77.6	0	0	0	111.5	Q172	Q172-H174 HydrophobicContact CG-CB 4.3Å
175	G	94.7	Very high	94.3	Very high	45 Å²	45	34.5 Å²	34.5	46%	0.464	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	0.1	-175.9	0	0	0	0	0	115.4	P126 N173	P126-G175 WeakPolarHBondContact CD-O 3.3Å; P126-G175 WeakPolarHBondContact CG-O 3.47Å; N173-G175 PolarHBondContact O-N 3.28Å
176	N	98.1	Very high	94.7	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.07	19%	0.193	C	C	.	.			trans	-93.3	168	178.4	-61.2	-18.2	0	0	0	112.4	L124 E125 V147 N173 K403	L124-N176 WeakPolarHBondContact O-CA 3.41Å; L124-N176 VanDerWaalsContact O-CB 3.26Å; L124-N176 WeakPolarHBondContact O-CB 3.3Å; E125-N176 WeakPolarHBondContact CG-OD1 3.5Å; V147-N176 HydrophobicContact CG2-CB 4.24Å; V147-N176 PolarHBondContact N-O 3.02Å; N173-N176 VanDerWaalsContact CA-ND2 3.33Å; N173-N176 WeakPolarHBondContact CA-ND2 3.45Å; N173-N176 HydrophobicContact CB-CB 4.17Å; N173-N176 WeakPolarHBondContact O-CB 3.46Å; N173-N176 PolarHBondContact O-N 2.92Å; N173-N176 PolarHBondContact OD1-ND2 3.03Å; N176-K403 WeakPolarHBondContact ND2-CE 3.25Å
177	Y	98.6	Very high	95.1	Very high	43 Å²	43	33 Å²	33	17%	0.169	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	177.1	-66.2	-98.9	0	0	0	110.9	C123 L124 P126 W136 L143 T145 P146	C123-Y177 CarbonylContact C-O 3.56Å; C123-Y177 WeakPolarHBondContact CA-O 3.33Å; L124-Y177 PolarHBondContact N-O 3.2Å; L124-Y177 PolarHBondContact O-N 2.84Å; P126-Y177 HydrophobicContact CB-CD2 4.2Å; P126-Y177 HydrophobicContact CB-CE2 4.27Å; P126-Y177 HydrophobicContact CG-CD2 4.15Å; P126-Y177 HydrophobicContact CG-CE2 4.08Å; W136-Y177 HydrophobicContact CH2-CE1 4.24Å; W136-Y177 HydrophobicContact CZ2-CE2 4.46Å; L143-Y177 HydrophobicContact CB-CD1 3.85Å; L143-Y177 HydrophobicContact CB-CE1 4.32Å; L143-Y177 HydrophobicContact CB-CG 4.05Å; L143-Y177 HydrophobicContact CD2-CD2 3.95Å; L143-Y177 HydrophobicContact CD2-CE2 4.42Å; L143-Y177 HydrophobicContact CD2-CG 4.04Å; L143-Y177 HydrophobicContact CG-CD1 4.45Å; L143-Y177 HydrophobicContact CG-CG 4.13Å; L143-Y177 WeakPolarHBondContact O-CD1 3.45Å; L143-Y177 WeakPolarHBondContact O-CE1 3.49Å; T145-Y177 CarbonylContact O-C 3.56Å; T145-Y177 WeakPolarHBondContact O-CA 3.11Å; P146-Y177 HydrophobicContact CB-CD1 4.26Å; P146-Y177 HydrophobicContact CB-CE1 4.04Å
178	I	98.4	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.6	163.6	-49.9	170.1	0	0	0	106.3	T145 V147 T296 Y315 H316 L317	T145-I178 VanDerWaalsContact CB-O 3.31Å; T145-I178 WeakPolarHBondContact CB-O 3.43Å; T145-I178 HydrophobicContact CG2-CB 3.85Å; T145-I178 HydrophobicContact CG2-CD1 3.88Å; T145-I178 HydrophobicContact CG2-CG1 4.15Å; T145-I178 PolarHBondContact O-N 2.67Å; V147-I178 HydrophobicContact CG2-CD1 4.43Å; V147-I178 HydrophobicContact CG2-CG1 3.8Å; I178-T296 HydrophobicContact CD1-CG2 3.97Å; I178-T296 HydrophobicContact CG1-CG2 4.08Å; I178-Y315 HydrophobicContact CG2-CD2 4.2Å; I178-Y315 HydrophobicContact CG2-CG 4.28Å; I178-H316 WeakPolarHBondContact CD1-O 3.24Å; I178-L317 HydrophobicContact CB-CD2 4.43Å; I178-L317 HydrophobicContact CG2-CD2 3.68Å; I178-L317 HydrophobicContact CG2-CG 4.09Å
179	V	98.3	Very high	96.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	14%	0.136	C	C	.	.			trans	-136.3	153.5	-177.3	-57.4	0	0	0	0	111.6	A122 L124 L143 L181	A122-V179 HydrophobicContact CB-CG2 3.84Å; A122-V179 VanDerWaalsContact CB-O 3.23Å; A122-V179 WeakPolarHBondContact CB-O 3.45Å; A122-V179 PolarHBondContact O-N 3.23Å; L124-V179 HydrophobicContact CB-CG1 4.39Å; L124-V179 HydrophobicContact CB-CG2 4.02Å; L124-V179 HydrophobicContact CD2-CG1 4.3Å; L124-V179 HydrophobicContact CD2-CG2 4.38Å; L143-V179 HydrophobicContact CB-CG1 4.48Å; L143-V179 HydrophobicContact CD1-CG1 4.04Å; L143-V179 HydrophobicContact CG-CG1 3.81Å; V179-L181 PolarHBondContact O-N 3.39Å
180	R	98.5	Very high	96.5	Very high	38 Å²	38	29.5 Å²	29.5	14%	0.143	15%	0.146	C	C	.	.			trans	-83.3	98.3	162.8	-70.6	180	76.7	-178.3	-0.7	108.7	G182 N183 L184 L317 E319 N620 G621	R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 3.47Å; R180-N183 HydrophobicContact CB-CB 4.22Å; R180-N183 WeakPolarHBondContact O-CA 3.3Å; R180-N183 WeakPolarHBondContact O-CB 3.27Å; R180-N183 PolarHBondContact O-N 2.88Å; R180-L184 PolarHBondContact O-N 2.92Å; R180-L317 HydrophobicContact CG-CD1 3.9Å; R180-L317 HydrophobicContact CG-CD2 4.12Å; R180-E319 WeakPolarHBondContact CD-OE2 3.42Å; R180-E319 IonicContact NH1-OE2 3.17Å; R180-N620 PolarHBondContact NH2-O 3.08Å; R180-G621 VanDerWaalsContact CB-O 3.29Å; R180-G621 WeakPolarHBondContact CB-O 3.35Å; R180-G621 WeakPolarHBondContact CG-O 3.32Å; R180-G621 PolarHBondContact NE-O 2.84Å
181	L	98.8	Very high	97	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-35.5	-169.4	-171.7	63.4	0	0	0	112.6	P83 T118 S120 A122 V179 N183 L184 V185 T405 M622	P83-L181 HydrophobicContact CG-CD1 4.16Å; P83-L181 HydrophobicContact CG-CD2 4.45Å; T118-L181 HydrophobicContact CG2-CB 3.9Å; T118-L181 HydrophobicContact CG2-CD2 3.83Å; T118-L181 HydrophobicContact CG2-CG 3.62Å; S120-L181 VanDerWaalsContact CB-CD2 3.49Å; A122-L181 HydrophobicContact CB-CB 3.85Å; V179-L181 PolarHBondContact O-N 3.39Å; L181-N183 PolarHBondContact O-N 3.34Å; L181-L184 HydrophobicContact CD1-CD2 4.19Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-V185 HydrophobicContact CG-CG2 4.38Å; L181-V185 WeakPolarHBondContact O-CB 3.33Å; L181-V185 WeakPolarHBondContact O-CG2 3.46Å; L181-V185 PolarHBondContact O-N 3.01Å; L181-T405 HydrophobicContact CD1-CG2 3.83Å; L181-M622 PolarHBondContact N-O 3.2Å
182	G	98.5	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-31.7	171.8	0	0	0	0	0	114.4	R180 R186 M622	R180-G182 VanDerWaalsContact C-N 3.27Å; R180-G182 PolarHBondContact O-N 3.47Å; G182-R186 PolarHBondContact O-N 3.23Å; G182-M622 PolarHBondContact N-O 3.24Å
183	N	98.6	Very high	97.9	Very high	34 Å²	34	29.8 Å²	29.8	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-76.7	-41.3	175.6	-68.7	-10.4	0	0	0	111.5	P142 R180 L181 V185 R186 W187 G621	P142-N183 HydrophobicContact CG-CB 4.34Å; R180-N183 HydrophobicContact CB-CB 4.22Å; R180-N183 WeakPolarHBondContact O-CA 3.3Å; R180-N183 WeakPolarHBondContact O-CB 3.27Å; R180-N183 PolarHBondContact O-N 2.88Å; L181-N183 PolarHBondContact O-N 3.34Å; N183-V185 VanDerWaalsContact C-N 3.29Å; N183-V185 PolarHBondContact O-N 2.77Å; N183-R186 PolarHBondContact O-N 3.29Å; N183-R186 PolarHBondContact OD1-NH1 2.88Å; N183-W187 PolarHBondContact O-N 3.02Å; N183-G621 WeakPolarHBondContact OD1-CA 3.43Å
184	L	98.8	Very high	98.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-36.1	174	179.8	61.7	0	0	0	112.1	L124 L129 P142 L143 R180 L181 W187 L188	L124-L184 HydrophobicContact CD2-CD2 3.58Å; L129-L184 HydrophobicContact CD2-CD1 4.38Å; P142-L184 HydrophobicContact CG-CB 4.14Å; P142-L184 HydrophobicContact CG-CD1 4.31Å; L143-L184 HydrophobicContact CD1-CD1 3.88Å; L143-L184 HydrophobicContact CD1-CD2 4.23Å; R180-L184 PolarHBondContact O-N 2.92Å; L181-L184 HydrophobicContact CD1-CD2 4.19Å; L181-L184 PolarHBondContact O-N 2.94Å; L184-W187 HydrophobicContact CD1-CE3 3.84Å; L184-W187 HydrophobicContact CD1-CZ3 4.35Å; L184-L188 HydrophobicContact CG-CD1 4.31Å; L184-L188 WeakPolarHBondContact O-CB 3.13Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.41Å
185	V	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-39.1	174.2	166.3	0	0	0	0	111.7	G81 P83 L86 T118 L181 N183 L188 G189	G81-V185 WeakPolarHBondContact O-CG1 3.35Å; P83-V185 HydrophobicContact CG-CG2 3.71Å; L86-V185 HydrophobicContact CD1-CG1 3.91Å; L86-V185 WeakPolarHBondContact CD1-O 3.13Å; T118-V185 HydrophobicContact CG2-CG2 4.03Å; L181-V185 HydrophobicContact CG-CG2 4.38Å; L181-V185 WeakPolarHBondContact O-CB 3.33Å; L181-V185 WeakPolarHBondContact O-CG2 3.46Å; L181-V185 PolarHBondContact O-N 3.01Å; N183-V185 VanDerWaalsContact C-N 3.29Å; N183-V185 PolarHBondContact O-N 2.77Å; V185-L188 PolarHBondContact O-N 2.95Å; V185-G189 PolarHBondContact O-N 3.28Å
186	R	98.7	Very high	98.6	Very high	64 Å²	64	30.4 Å²	30.4	24%	0.242	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-47.7	174.3	-167.6	-174.8	-61.7	107.8	-3.5	111.6	G182 N183 L188 G189 E190 N620	G182-R186 PolarHBondContact O-N 3.23Å; N183-R186 PolarHBondContact O-N 3.29Å; N183-R186 PolarHBondContact OD1-NH1 2.88Å; R186-L188 PolarHBondContact O-N 2.8Å; R186-G189 VanDerWaalsContact O-CA 3.26Å; R186-G189 WeakPolarHBondContact O-CA 3.31Å; R186-G189 PolarHBondContact O-N 2.93Å; R186-E190 PolarHBondContact O-N 2.87Å; R186-N620 PolarHBondContact NH2-OD1 3.45Å
187	W	98.8	Very high	98.6	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-42.9	175.4	177	83.6	0	0	0	112.6	L129 F133 W136 R139 A141 P142 N183 L184 G189 E190 Q191	L129-W187 HydrophobicContact CD1-CH2 4.3Å; L129-W187 HydrophobicContact CD1-CZ3 3.78Å; F133-W187 HydrophobicContact CB-CH2 4.49Å; F133-W187 AromaticContact CD2-CH2 3.63Å; F133-W187 HydrophobicContact CD2-CH2 3.63Å; F133-W187 AromaticContact CD2-CZ3 3.95Å; F133-W187 HydrophobicContact CD2-CZ3 3.95Å; F133-W187 AromaticContact CE2-CH2 3.97Å; F133-W187 HydrophobicContact CE2-CH2 3.97Å; F133-W187 HydrophobicContact CE2-CZ3 4.09Å; F133-W187 HydrophobicContact CG-CH2 4.11Å; W136-W187 HydrophobicContact CB-CH2 4.41Å; R139-W187 HydrophobicContact CB-CZ2 3.71Å; R139-W187 PolarHBondContact O-NE1 3.37Å; A141-W187 HydrophobicContact CB-CD2 3.76Å; A141-W187 HydrophobicContact CB-CE3 3.82Å; A141-W187 HydrophobicContact CB-CH2 3.62Å; A141-W187 HydrophobicContact CB-CZ2 3.53Å; A141-W187 HydrophobicContact CB-CZ3 3.75Å; P142-W187 HydrophobicContact CG-CB 4.4Å; N183-W187 PolarHBondContact O-N 3.02Å; L184-W187 HydrophobicContact CD1-CE3 3.84Å; L184-W187 HydrophobicContact CD1-CZ3 4.35Å; W187-G189 PolarHBondContact O-N 3.3Å; W187-E190 PolarHBondContact O-N 3.08Å; W187-Q191 HydrophobicContact CD2-CG 4.01Å; W187-Q191 HydrophobicContact CE3-CG 4.32Å; W187-Q191 HydrophobicContact CH2-CG 3.95Å; W187-Q191 HydrophobicContact CZ2-CG 3.59Å; W187-Q191 HydrophobicContact CZ3-CG 4.3Å; W187-Q191 WeakPolarHBondContact O-CG 3.41Å; W187-Q191 PolarHBondContact O-N 2.75Å
188	L	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-30.9	171.7	-79.3	169.3	0	0	0	112.2	L86 I90 L132 F133 L184 V185 R186 A192 M409	L86-L188 HydrophobicContact CB-CB 4.06Å; L86-L188 HydrophobicContact CD1-CB 3.72Å; L86-L188 HydrophobicContact CG-CB 4.44Å; I90-L188 HydrophobicContact CD1-CB 4.43Å; I90-L188 HydrophobicContact CD1-CD2 3.73Å; I90-L188 WeakPolarHBondContact CD1-O 3.41Å; L132-L188 HydrophobicContact CD2-CD2 4.28Å; F133-L188 HydrophobicContact CE2-CD2 4.07Å; L184-L188 HydrophobicContact CG-CD1 4.31Å; L184-L188 WeakPolarHBondContact O-CB 3.13Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.41Å; V185-L188 PolarHBondContact O-N 2.95Å; R186-L188 PolarHBondContact O-N 2.8Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 3.47Å; L188-A192 VanDerWaalsContact O-N 3.13Å; L188-M409 HydrophobicContact CD1-CE 4.42Å; L188-M409 HydrophobicContact CD2-CE 4.47Å
189	G	98.8	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-55.1	171	0	0	0	0	0	112.7	V185 R186 W187 Q191 A192 E193	V185-G189 PolarHBondContact O-N 3.28Å; R186-G189 VanDerWaalsContact O-CA 3.26Å; R186-G189 WeakPolarHBondContact O-CA 3.31Å; R186-G189 PolarHBondContact O-N 2.93Å; W187-G189 PolarHBondContact O-N 3.3Å; G189-Q191 VanDerWaalsContact C-N 3.27Å; G189-Q191 PolarHBondContact O-N 2.86Å; G189-A192 WeakPolarHBondContact O-CA 3.38Å; G189-A192 WeakPolarHBondContact O-CB 3.34Å; G189-A192 PolarHBondContact O-N 2.82Å; G189-E193 PolarHBondContact O-N 3.29Å
190	E	98.8	Very high	98.7	Very high	85 Å²	85	34.6 Å²	34.6	40%	0.397	17%	0.169	S	C	.	.	H	α-helix	trans	-52.9	-45.8	177.5	-65.1	155.4	-167.2	0	0	110.7	R186 W187 A192 E193 E194	R186-E190 PolarHBondContact O-N 2.87Å; W187-E190 PolarHBondContact O-N 3.08Å; E190-A192 VanDerWaalsContact C-N 3.32Å; E190-A192 PolarHBondContact O-N 2.81Å; E190-E193 PolarHBondContact O-N 3.49Å; E190-E194 WeakPolarHBondContact O-CG 3.32Å; E190-E194 PolarHBondContact O-N 2.68Å
191	Q	98.8	Very high	98.6	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-24.9	176.7	-60.9	-58.4	-88.8	0	0	114.3	F133 R139 W187 G189 E194 L195	F133-Q191 HydrophobicContact CE1-CB 4.38Å; F133-Q191 HydrophobicContact CE2-CB 4.19Å; F133-Q191 HydrophobicContact CE2-CG 4.49Å; F133-Q191 HydrophobicContact CZ-CB 3.65Å; F133-Q191 HydrophobicContact CZ-CG 4.19Å; R139-Q191 VanDerWaalsContact CD-OE1 3.3Å; W187-Q191 HydrophobicContact CD2-CG 4.01Å; W187-Q191 HydrophobicContact CE3-CG 4.32Å; W187-Q191 HydrophobicContact CH2-CG 3.95Å; W187-Q191 HydrophobicContact CZ2-CG 3.59Å; W187-Q191 HydrophobicContact CZ3-CG 4.3Å; W187-Q191 WeakPolarHBondContact O-CG 3.41Å; W187-Q191 PolarHBondContact O-N 2.75Å; G189-Q191 VanDerWaalsContact C-N 3.27Å; G189-Q191 PolarHBondContact O-N 2.86Å; Q191-E194 VanDerWaalsContact NE2-CD 3.25Å; Q191-E194 PolarHBondContact NE2-OE1 3.07Å; Q191-E194 PolarHBondContact NE2-OE2 3.08Å; Q191-L195 WeakPolarHBondContact O-CD1 3.48Å; Q191-L195 WeakPolarHBondContact O-CG 3.3Å
192	A	98.8	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.8	-40.6	174.8	0	0	0	0	0	111.5	L86 I90 L188 G189 E190 L195 G196 V197 I199	L86-A192 HydrophobicContact CD2-CB 4.18Å; I90-A192 HydrophobicContact CD1-CB 4.29Å; I90-A192 HydrophobicContact CG1-CB 3.68Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 3.47Å; L188-A192 VanDerWaalsContact O-N 3.13Å; G189-A192 WeakPolarHBondContact O-CA 3.38Å; G189-A192 WeakPolarHBondContact O-CB 3.34Å; G189-A192 PolarHBondContact O-N 2.82Å; E190-A192 VanDerWaalsContact C-N 3.32Å; E190-A192 PolarHBondContact O-N 2.81Å; A192-L195 PolarHBondContact O-N 3.41Å; A192-G196 PolarHBondContact O-N 3.25Å; A192-V197 HydrophobicContact CB-CB 4.14Å; A192-V197 HydrophobicContact CB-CG2 3.97Å; A192-V197 WeakPolarHBondContact O-CB 3.38Å; A192-V197 WeakPolarHBondContact O-CG2 3.49Å; A192-V197 PolarHBondContact O-N 3.49Å; A192-I199 HydrophobicContact CB-CD1 3.88Å
193	E	98.6	Very high	98.6	Very high	108 Å²	108	40.9 Å²	40.9	51%	0.505	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-42.6	174.1	-66.4	177.5	123.7	0	0	111.2	G189 E190 L195 G196 I199	G189-E193 PolarHBondContact O-N 3.29Å; E190-E193 PolarHBondContact O-N 3.49Å; E193-L195 PolarHBondContact O-N 3.1Å; E193-G196 PolarHBondContact O-N 3.14Å; E193-I199 HydrophobicContact CG-CB 4.42Å; E193-I199 HydrophobicContact CG-CD1 3.66Å; E193-I199 HydrophobicContact CG-CG1 3.97Å
194	E	98.4	Very high	98.5	Very high	135 Å²	135	39.2 Å²	39.2	63%	0.631	20%	0.197	S	C	*	.	H	α-helix	trans	-56.5	-30.8	172.7	-79.2	176.6	-171.2	0	0	113.5	E190 Q191 G196	E190-E194 WeakPolarHBondContact O-CG 3.32Å; E190-E194 PolarHBondContact O-N 2.68Å; Q191-E194 VanDerWaalsContact NE2-CD 3.25Å; Q191-E194 PolarHBondContact NE2-OE1 3.07Å; Q191-E194 PolarHBondContact NE2-OE2 3.08Å; E194-G196 VanDerWaalsContact C-N 3.34Å
195	L	98.6	Very high	98.5	Very high	39 Å²	39	39.4 Å²	39.4	20%	0.204	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	176.7	-72.3	169.5	0	0	0	113.5	I90 K93 Q94 Q191 A192 E193	I90-L195 HydrophobicContact CB-CD1 4.31Å; I90-L195 HydrophobicContact CG2-CD1 3.7Å; K93-L195 HydrophobicContact CB-CB 3.85Å; K93-L195 WeakPolarHBondContact CE-O 3.41Å; Q94-L195 HydrophobicContact CG-CD1 4.03Å; Q191-L195 WeakPolarHBondContact O-CD1 3.48Å; Q191-L195 WeakPolarHBondContact O-CG 3.3Å; A192-L195 PolarHBondContact O-N 3.41Å; E193-L195 PolarHBondContact O-N 3.1Å
196	G	98.4	Very high	98.5	Very high	42 Å²	42	40 Å²	40	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	36.7	-178.8	0	0	0	0	0	114.1	K93 A192 E193 E194	K93-G196 VanDerWaalsContact CE-O 3.23Å; K93-G196 WeakPolarHBondContact CE-O 3.48Å; A192-G196 PolarHBondContact O-N 3.25Å; E193-G196 PolarHBondContact O-N 3.14Å; E194-G196 VanDerWaalsContact C-N 3.34Å
197	V	98.8	Very high	98.5	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.055	21%	0.21	C	C	.	.			trans	-80.5	134.4	161.5	-179.7	0	0	0	0	108.8	A89 K93 V105 L107 A192 I199	A89-V197 HydrophobicContact CB-CG1 3.88Å; A89-V197 HydrophobicContact CB-CG2 3.81Å; K93-V197 HydrophobicContact CB-CG2 4.42Å; K93-V197 HydrophobicContact CG-CG2 3.56Å; V105-V197 HydrophobicContact CG1-CG1 4.33Å; L107-V197 HydrophobicContact CB-CG1 4.23Å; A192-V197 HydrophobicContact CB-CB 4.14Å; A192-V197 HydrophobicContact CB-CG2 3.97Å; A192-V197 WeakPolarHBondContact O-CB 3.38Å; A192-V197 WeakPolarHBondContact O-CG2 3.49Å; A192-V197 PolarHBondContact O-N 3.49Å; V197-I199 HydrophobicContact CB-CG1 4.25Å; V197-I199 HydrophobicContact CG1-CD1 4.41Å; V197-I199 HydrophobicContact CG1-CG1 3.78Å; V197-I199 PolarHBondContact O-N 2.89Å
198	E	98.7	Very high	98.5	Very high	60 Å²	60	40.7 Å²	40.7	28%	0.28	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	109.4	171.3	-69.4	168.2	-143.1	0	0	109.2	R104 V105 C106 L107 Y200	R104-E198 WeakPolarHBondContact CG-OE1 3.5Å; R104-E198 IonicContact CZ-OE1 3.06Å; R104-E198 IonicContact CZ-OE2 2.82Å; R104-E198 VanDerWaalsContact CZ-OE2 3.3Å; R104-E198 VanDerWaalsContact NE-CD 3.33Å; R104-E198 IonicContact NE-OE1 3.02Å; R104-E198 PolarHBondContact NE-OE1 3.31Å; R104-E198 IonicContact NE-OE2 3.36Å; R104-E198 PolarHBondContact NE-OE2 2.94Å; R104-E198 IonicContact NH2-OE1 2.78Å; R104-E198 IonicContact NH2-OE2 3.52Å; R104-E198 PolarHBondContact NH2-OE2 2.98Å; V105-E198 PolarHBondContact O-N 3.04Å; C106-E198 CarbonylContact C-O 3.27Å; C106-E198 WeakPolarHBondContact CA-O 3.35Å; C106-E198 PolarHBondContact SG-OE2 3.27Å; L107-E198 PolarHBondContact N-O 3.19Å; E198-Y200 HydrophobicContact CB-CE2 3.93Å; E198-Y200 PolarHBondContact OE2-OH 2.78Å
199	I	98.7	Very high	98.5	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.9	-177.7	-50.8	-170.8	0	0	0	110.8	L86 L107 L114 A192 E193 V197 P201	L86-I199 HydrophobicContact CD2-CD1 4.13Å; L107-I199 HydrophobicContact CD2-CG2 3.95Å; L114-I199 HydrophobicContact CD1-CD1 4.06Å; L114-I199 HydrophobicContact CD1-CG2 4.08Å; L114-I199 HydrophobicContact CD2-CG2 4.19Å; L114-I199 HydrophobicContact CG-CG2 4.32Å; A192-I199 HydrophobicContact CB-CD1 3.88Å; E193-I199 HydrophobicContact CG-CB 4.42Å; E193-I199 HydrophobicContact CG-CD1 3.66Å; E193-I199 HydrophobicContact CG-CG1 3.97Å; V197-I199 HydrophobicContact CB-CG1 4.25Å; V197-I199 HydrophobicContact CG1-CD1 4.41Å; V197-I199 HydrophobicContact CG1-CG1 3.78Å; V197-I199 PolarHBondContact O-N 2.89Å; I199-P201 WeakPolarHBondContact O-CD 3.41Å
200	Y	98.4	Very high	98.5	Very high	60 Å²	60	45.1 Å²	45.1	24%	0.235	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	80.1	-179.2	-61.7	-70.5	0	0	0	110.4	C106 L107 V108 E109 E198 Y203	C106-Y200 HydrophobicContact CB-CE2 4.12Å; L107-Y200 PolarHBondContact O-N 3.34Å; V108-Y200 HydrophobicContact CG1-CD2 4.42Å; E109-Y200 PolarHBondContact N-O 2.6Å; E198-Y200 HydrophobicContact CB-CE2 3.93Å; E198-Y200 PolarHBondContact OE2-OH 2.78Å; Y200-Y203 HydrophobicContact CD1-CE2 4.44Å
201	P	97.9	Very high	98.5	Very high	49 Å²	49	43.8 Å²	43.8	32%	0.318	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	148.7	168	33.1	-33.8	0	0	0	109.9	E109 A111 I199 Y203	E109-P201 CarbonylContact O-C 3.55Å; E109-P201 WeakPolarHBondContact O-CA 3.44Å; A111-P201 CarbonylContact O-C 3.52Å; I199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-Y203 VanDerWaalsContact C-N 3.29Å; P201-Y203 WeakPolarHBondContact O-CD2 3.41Å
202	G	97.4	Very high	98.4	Very high	21 Å²	21	53.7 Å²	53.7	22%	0.216	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.5	-173.2	0	0	0	0	0	114.3	E109 A111 G613 G614	E109-G202 PolarHBondContact O-N 3.35Å; A111-G202 PolarHBondContact O-N 2.92Å; G202-G613 CarbonylContact O-C 3.5Å; G202-G613 VanDerWaalsContact O-C 3.25Å; G202-G613 WeakPolarHBondContact O-CA 3.3Å; G202-G614 PolarHBondContact O-N 3Å
203	Y	98	Very high	98.3	Very high	109 Å²	109	57.6 Å²	57.6	43%	0.427	29%	0.292	S	S	.	.			trans	-107.2	112.7	179.2	-67.7	-96.9	0	0	0	110.4	E109 Y200 P201 T221	E109-Y203 CarbonylContact C-O 3.59Å; E109-Y203 PolarHBondContact N-O 2.99Å; E109-Y203 PolarHBondContact O-N 2.66Å; Y200-Y203 HydrophobicContact CD1-CE2 4.44Å; P201-Y203 VanDerWaalsContact C-N 3.29Å; P201-Y203 WeakPolarHBondContact O-CD2 3.41Å; Y203-T221 HydrophobicContact CD1-CG2 4.09Å
204	A	98	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.			trans	-94.9	117.1	179	0	0	0	0	0	110.9	K110 A206 T221 N222 V610	K110-A204 HydrophobicContact CB-CB 3.87Å; K110-A204 HydrophobicContact CD-CB 3.93Å; K110-A204 HydrophobicContact CG-CB 3.72Å; A204-A206 PolarHBondContact O-N 3.12Å; A204-A206 VanDerWaalsContact O-N 3.09Å; A204-T221 CarbonylContact O-C 3.51Å; A204-T221 VanDerWaalsContact O-CA 3.24Å; A204-T221 WeakPolarHBondContact O-CA 3.36Å; A204-N222 HydrophobicContact CB-CB 4.44Å; A204-N222 WeakPolarHBondContact CB-OD1 3.38Å; A204-N222 PolarHBondContact N-OD1 3.38Å; A204-N222 VanDerWaalsContact N-OD1 3.14Å; A204-N222 PolarHBondContact O-N 3.06Å; A204-N222 PolarHBondContact O-OD1 3.42Å; A204-V610 HydrophobicContact CB-CB 3.85Å; A204-V610 HydrophobicContact CB-CG1 4.08Å; A204-V610 HydrophobicContact CB-CG2 3.92Å
205	A	98.7	Very high	98.3	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	116	165.7	0	0	0	0	0	109	V79 V108 I219 H256 L257	V79-A205 HydrophobicContact CG1-CB 3.71Å; V79-A205 HydrophobicContact CG2-CB 4.05Å; V108-A205 HydrophobicContact CG2-CB 4.05Å; A205-I219 HydrophobicContact CB-CB 4.07Å; A205-I219 HydrophobicContact CB-CD1 3.82Å; A205-I219 HydrophobicContact CB-CG1 3.93Å; A205-I219 HydrophobicContact CB-CG2 4.3Å; A205-H256 PolarHBondContact O-CE1 3.32Å; A205-H256 VanDerWaalsContact O-CE1 3.26Å; A205-L257 HydrophobicContact CB-CD1 3.78Å
206	A	98.5	Very high	98.3	Very high	14 Å²	14	45.5 Å²	45.5	12%	0.116	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-19.4	-173.1	0	0	0	0	0	112.9	A204 A220 N222 V610	A204-A206 PolarHBondContact O-N 3.12Å; A204-A206 VanDerWaalsContact O-N 3.09Å; A206-A220 PolarHBondContact N-O 2.79Å; A206-N222 HydrophobicContact CB-CB 4.07Å; A206-V610 HydrophobicContact CB-CG2 3.54Å
207	E	98.6	Very high	98.3	Very high	78 Å²	78	46.4 Å²	46.4	36%	0.364	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.1	-172.6	-170.2	177.9	164.3	0	0	109.4	R69 I219 A220	R69-E207 IonicContact CZ-OE2 3.52Å; R69-E207 VanDerWaalsContact CZ-OE2 3.22Å; R69-E207 IonicContact NH1-OE1 3.56Å; R69-E207 IonicContact NH1-OE2 3.54Å; R69-E207 PolarHBondContact NH1-OE2 3.01Å; R69-E207 IonicContact NH2-OE2 2.74Å; R69-E207 PolarHBondContact NH2-OE2 2.68Å; E207-I219 VanDerWaalsContact O-CA 3.23Å; E207-I219 WeakPolarHBondContact O-CA 3.18Å; E207-I219 VanDerWaalsContact O-CB 3.3Å; E207-I219 WeakPolarHBondContact O-CB 3.4Å; E207-A220 HydrophobicContact CB-CB 4.23Å; E207-A220 PolarHBondContact N-O 3.23Å; E207-A220 PolarHBondContact O-N 3.26Å
208	V	98.8	Very high	98.3	Very high	14 Å²	14	46 Å²	46	9%	0.085	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.6	168.5	-178.3	0	0	0	0	107.8	F210 V216 F249 L257 L261	V208-F210 HydrophobicContact CB-CE2 3.82Å; V208-F210 HydrophobicContact CB-CZ 3.99Å; V208-F210 HydrophobicContact CG1-CD2 4.31Å; V208-F210 HydrophobicContact CG1-CE1 4.04Å; V208-F210 HydrophobicContact CG1-CE2 3.69Å; V208-F210 HydrophobicContact CG1-CZ 3.53Å; V208-F210 WeakPolarHBondContact O-CD2 3.23Å; V208-F210 WeakPolarHBondContact O-CE2 3.5Å; V208-V216 HydrophobicContact CG1-CG1 3.94Å; V208-V216 HydrophobicContact CG1-CG2 3.87Å; V208-F249 HydrophobicContact CG1-CZ 4.33Å; V208-F249 HydrophobicContact CG2-CE1 4.05Å; V208-F249 HydrophobicContact CG2-CZ 4.21Å; V208-L257 HydrophobicContact CG2-CB 3.89Å; V208-L257 HydrophobicContact CG2-CD1 4.08Å; V208-L257 HydrophobicContact CG2-CD2 4.15Å; V208-L257 HydrophobicContact CG2-CG 4.24Å; V208-L261 HydrophobicContact CG1-CD2 4.25Å; V208-L261 HydrophobicContact CG2-CD1 4.5Å; V208-L261 HydrophobicContact CG2-CD2 4.45Å; V208-L261 HydrophobicContact CG2-CG 4.42Å
209	L	98.7	Very high	98.3	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.7	175.1	-57.6	174.9	0	0	0	109.3	K217 G218 I219 A220 E241	L209-K217 HydrophobicContact CB-CB 4.14Å; L209-K217 PolarHBondContact O-N 3.28Å; L209-G218 PolarHBondContact N-O 3.03Å; L209-G218 PolarHBondContact O-N 2.89Å; L209-I219 VanDerWaalsContact CD1-O 3.29Å; L209-I219 WeakPolarHBondContact CD1-O 3.45Å; L209-A220 HydrophobicContact CD1-CB 4.46Å; L209-A220 HydrophobicContact CD2-CB 4.3Å; L209-E241 HydrophobicContact CD1-CB 3.7Å; L209-E241 HydrophobicContact CD1-CG 3.78Å
210	F	98.7	Very high	98.3	Very high	78 Å²	78	42.2 Å²	42.2	34%	0.342	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.8	179.8	-63.3	-88.4	0	0	0	110.7	V208 S215 V216 L261 Q264 F265	V208-F210 HydrophobicContact CB-CE2 3.82Å; V208-F210 HydrophobicContact CB-CZ 3.99Å; V208-F210 HydrophobicContact CG1-CD2 4.31Å; V208-F210 HydrophobicContact CG1-CE1 4.04Å; V208-F210 HydrophobicContact CG1-CE2 3.69Å; V208-F210 HydrophobicContact CG1-CZ 3.53Å; V208-F210 WeakPolarHBondContact O-CD2 3.23Å; V208-F210 WeakPolarHBondContact O-CE2 3.5Å; F210-S215 CarbonylContact C-O 3.53Å; F210-S215 VanDerWaalsContact CA-O 3.26Å; F210-S215 WeakPolarHBondContact CA-O 3.39Å; F210-V216 HydrophobicContact CD1-CG2 4.08Å; F210-V216 HydrophobicContact CE1-CG2 3.73Å; F210-L261 HydrophobicContact CZ-CD2 4.46Å; F210-Q264 HydrophobicContact CE1-CG 3.88Å; F210-Q264 HydrophobicContact CZ-CG 3.97Å; F210-F265 HydrophobicContact CD1-CZ 4.38Å; F210-F265 AromaticContact CE1-CE2 3.95Å; F210-F265 HydrophobicContact CE1-CE2 3.95Å; F210-F265 AromaticContact CE1-CZ 3.85Å; F210-F265 HydrophobicContact CE1-CZ 3.85Å
211	H	98.3	Very high	98.3	Very high	57 Å²	57	39.6 Å²	39.6	26%	0.264	20%	0.204	S	C	.	.			trans	-76.3	166.2	164.7	-71.3	-80.3	0	0	0	110.5	D213 G214 S215 K217 A433	H211-D213 VanDerWaalsContact CB-OD1 3.25Å; H211-D213 WeakPolarHBondContact CB-OD1 3.31Å; H211-D213 PolarHBondContact O-N 3.49Å; H211-G214 PolarHBondContact O-N 3.38Å; H211-S215 PolarHBondContact CD2-OG 3.11Å; H211-S215 PolarHBondContact N-O 2.73Å; H211-K217 VanDerWaalsContact CD2-CA 3.46Å; H211-K217 WeakPolarHBondContact CD2-CA 3.33Å; H211-K217 WeakPolarHBondContact NE2-CA 3.44Å; H211-A433 HydrophobicContact CB-CB 4.19Å
212	E	97.4	Very high	98.3	Very high	216 Å²	216	37.8 Å²	37.8	100%	1.009	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	178.1	-61.2	-174	165.6	0	0	113.3	G214	E212-G214 PolarHBondContact O-N 2.75Å
213	D	97.1	Very high	98.2	Very high	82 Å²	82	37 Å²	37	44%	0.439	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.3	173.3	68.1	5.8	0	0	0	113.8	H211 S215 T432 A433	H211-D213 VanDerWaalsContact CB-OD1 3.25Å; H211-D213 WeakPolarHBondContact CB-OD1 3.31Å; H211-D213 PolarHBondContact O-N 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.42Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 2.82Å; D213-S215 PolarHBondContact OD2-OG 3.43Å; D213-T432 VanDerWaalsContact OD2-CA 3.26Å; D213-T432 WeakPolarHBondContact OD2-CA 3.35Å; D213-T432 WeakPolarHBondContact OD2-CB 3.31Å; D213-A433 PolarHBondContact OD2-N 2.97Å
214	G	97.6	Very high	98.2	Very high	28 Å²	28	34.3 Å²	34.3	29%	0.289	18%	0.177	S	C	.	.	S	Bend	trans	84.7	0.6	-178.4	0	0	0	0	0	115.3	H211 E212 F265	H211-G214 PolarHBondContact O-N 3.38Å; E212-G214 PolarHBondContact O-N 2.75Å; G214-F265 WeakPolarHBondContact O-CE1 3.41Å; G214-F265 WeakPolarHBondContact O-CZ 3.34Å
215	S	98.5	Very high	98.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.18	C	C	.	.			trans	-72.6	155.4	170.5	68.2	0	0	0	0	111.9	F210 H211 D213 K217 P385 G434	F210-S215 CarbonylContact C-O 3.53Å; F210-S215 VanDerWaalsContact CA-O 3.26Å; F210-S215 WeakPolarHBondContact CA-O 3.39Å; H211-S215 PolarHBondContact CD2-OG 3.11Å; H211-S215 PolarHBondContact N-O 2.73Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.42Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 2.82Å; D213-S215 PolarHBondContact OD2-OG 3.43Å; S215-K217 PolarHBondContact O-N 3.14Å; S215-P385 VanDerWaalsContact CB-CB 3.42Å; S215-G434 PolarHBondContact OG-N 3.1Å
216	V	98.8	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.6	176.9	172.1	0	0	0	0	109.9	V208 F210 F249 L261 F265 F384 P385 G386	V208-V216 HydrophobicContact CG1-CG1 3.94Å; V208-V216 HydrophobicContact CG1-CG2 3.87Å; F210-V216 HydrophobicContact CD1-CG2 4.08Å; F210-V216 HydrophobicContact CE1-CG2 3.73Å; V216-F249 HydrophobicContact CG1-CE2 4.37Å; V216-F249 HydrophobicContact CG1-CZ 4.28Å; V216-L261 HydrophobicContact CG2-CD2 4.05Å; V216-F265 HydrophobicContact CG2-CE2 3.89Å; V216-F265 HydrophobicContact CG2-CZ 4.03Å; V216-F384 HydrophobicContact CB-CE2 4.49Å; V216-F384 HydrophobicContact CG2-CD2 4.06Å; V216-F384 HydrophobicContact CG2-CE2 3.77Å; V216-P385 PolarHBondContact N-O 3.13Å; V216-G386 WeakPolarHBondContact O-CA 3.45Å
217	K	98.7	Very high	98.1	Very high	61 Å²	61	34.6 Å²	34.6	27%	0.265	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-27.3	174.9	-177.9	174.9	-172.9	-156.5	0	112.7	L209 H211 S215 H243 A244	L209-K217 HydrophobicContact CB-CB 4.14Å; L209-K217 PolarHBondContact O-N 3.28Å; H211-K217 VanDerWaalsContact CD2-CA 3.46Å; H211-K217 WeakPolarHBondContact CD2-CA 3.33Å; H211-K217 WeakPolarHBondContact NE2-CA 3.44Å; S215-K217 PolarHBondContact O-N 3.14Å; K217-H243 VanDerWaalsContact CE-CG 3.48Å; K217-H243 WeakPolarHBondContact CE-ND1 3.47Å; K217-H243 HydrophobicContact CG-CB 4.35Å; K217-H243 PolarHBondContact NZ-CE1 2.82Å; K217-H243 PolarHBondContact NZ-ND1 3.15Å; K217-H243 VanDerWaalsContact NZ-ND1 3.18Å; K217-H243 PolarHBondContact NZ-NE2 3.24Å; K217-H243 CarbonylContact O-C 3.51Å; K217-H243 WeakPolarHBondContact O-CA 3.4Å; K217-A244 PolarHBondContact O-N 3.28Å
218	G	98.7	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-153.9	-169.3	0	0	0	0	0	113.1	L209 L242 T247	L209-G218 PolarHBondContact N-O 3.03Å; L209-G218 PolarHBondContact O-N 2.89Å; G218-L242 WeakPolarHBondContact CA-O 3.47Å; G218-T247 WeakPolarHBondContact CA-OG1 3.32Å
219	I	98.8	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.9	171.4	59.7	83.5	0	0	0	110.8	V77 V79 V108 A205 E207 L209 T221 L242 T247 F249 L257	V77-I219 HydrophobicContact CG1-CG1 3.92Å; V79-I219 HydrophobicContact CG2-CG1 4.29Å; V79-I219 HydrophobicContact CG2-CG2 3.96Å; V108-I219 HydrophobicContact CG2-CD1 4.32Å; A205-I219 HydrophobicContact CB-CB 4.07Å; A205-I219 HydrophobicContact CB-CD1 3.82Å; A205-I219 HydrophobicContact CB-CG1 3.93Å; A205-I219 HydrophobicContact CB-CG2 4.3Å; E207-I219 VanDerWaalsContact O-CA 3.23Å; E207-I219 WeakPolarHBondContact O-CA 3.18Å; E207-I219 VanDerWaalsContact O-CB 3.3Å; E207-I219 WeakPolarHBondContact O-CB 3.4Å; L209-I219 VanDerWaalsContact CD1-O 3.29Å; L209-I219 WeakPolarHBondContact CD1-O 3.45Å; I219-T221 HydrophobicContact CD1-CG2 4.43Å; I219-L242 HydrophobicContact CD1-CB 4.19Å; I219-L242 HydrophobicContact CD1-CD1 4.14Å; I219-L242 HydrophobicContact CG1-CB 4.5Å; I219-L242 PolarHBondContact N-O 3.42Å; I219-L242 VanDerWaalsContact N-O 3.09Å; I219-L242 PolarHBondContact O-N 3.28Å; I219-T247 HydrophobicContact CG2-CG2 4.16Å; I219-F249 HydrophobicContact CG2-CE1 4.02Å; I219-F249 HydrophobicContact CG2-CZ 4.24Å; I219-L257 HydrophobicContact CG2-CD1 4.14Å
220	A	98.8	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.8	159	0	0	0	0	0	110.4	A206 E207 L209 M240 E241	A206-A220 PolarHBondContact N-O 2.79Å; E207-A220 HydrophobicContact CB-CB 4.23Å; E207-A220 PolarHBondContact N-O 3.23Å; E207-A220 PolarHBondContact O-N 3.26Å; L209-A220 HydrophobicContact CD1-CB 4.46Å; L209-A220 HydrophobicContact CD2-CB 4.3Å; A220-M240 CarbonylContact C-O 3.54Å; A220-M240 VanDerWaalsContact CA-O 3.28Å; A220-M240 WeakPolarHBondContact CA-O 3.24Å; A220-E241 HydrophobicContact CB-CG 4.18Å
221	T	98.4	Very high	97.7	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	166.7	172.1	72.5	0	0	0	0	110.5	Y203 A204 I219 G239 M240	Y203-T221 HydrophobicContact CD1-CG2 4.09Å; A204-T221 CarbonylContact O-C 3.51Å; A204-T221 VanDerWaalsContact O-CA 3.24Å; A204-T221 WeakPolarHBondContact O-CA 3.36Å; I219-T221 HydrophobicContact CD1-CG2 4.43Å; T221-G239 VanDerWaalsContact OG1-CA 3.22Å; T221-G239 WeakPolarHBondContact OG1-CA 3.48Å; T221-M240 PolarHBondContact N-O 2.74Å; T221-M240 PolarHBondContact OG1-N 3.25Å
222	N	96.9	Very high	97.7	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-57.5	142	170.6	64.9	-88.9	0	0	0	109.9	A204 A206 V224 G239 V610 G613	A204-N222 HydrophobicContact CB-CB 4.44Å; A204-N222 WeakPolarHBondContact CB-OD1 3.38Å; A204-N222 PolarHBondContact N-OD1 3.38Å; A204-N222 VanDerWaalsContact N-OD1 3.14Å; A204-N222 PolarHBondContact O-N 3.06Å; A204-N222 PolarHBondContact O-OD1 3.42Å; A206-N222 HydrophobicContact CB-CB 4.07Å; N222-V224 WeakPolarHBondContact ND2-CG1 3.3Å; N222-G239 VanDerWaalsContact O-CA 3.31Å; N222-G239 WeakPolarHBondContact O-CA 3.44Å; N222-V610 HydrophobicContact CB-CG2 4.39Å; N222-G613 PolarHBondContact ND2-N 2.83Å; N222-G613 VanDerWaalsContact ND2-N 3.19Å; N222-G613 PolarHBondContact OD1-N 2.85Å
223	D	97.4	Very high	97.7	Very high	6 Å²	6	27 Å²	27	3%	0.032	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-71.4	166.4	160.1	-54.5	-24	0	0	0	108.9	R56 R69 I226 F236 E237 R238 G239	R56-D223 IonicContact CZ-OD2 3.14Å; R56-D223 IonicContact NH1-OD2 3.56Å; R56-D223 PolarHBondContact NH1-OD2 3.47Å; R56-D223 IonicContact NH2-OD2 2.7Å; R56-D223 PolarHBondContact NH2-OD2 3.01Å; R69-D223 IonicContact NE-OD1 3.87Å; R69-D223 IonicContact NH2-OD1 3.69Å; D223-I226 HydrophobicContact CB-CD1 4.47Å; D223-F236 HydrophobicContact CB-CE2 3.94Å; D223-F236 HydrophobicContact CB-CZ 4.38Å; D223-E237 WeakPolarHBondContact CA-O 3.38Å; D223-E237 WeakPolarHBondContact CB-O 3.42Å; D223-R238 IonicContact OD1-CZ 3.88Å; D223-R238 IonicContact OD1-NH1 3.04Å; D223-R238 PolarHBondContact OD1-NH1 3.25Å; D223-R238 IonicContact OD2-CZ 3.95Å; D223-R238 IonicContact OD2-NH1 2.86Å; D223-R238 PolarHBondContact OD2-NH1 3.09Å; D223-G239 PolarHBondContact OD1-N 3.07Å
224	V	96.6	Very high	97.7	Very high	51 Å²	51	31.7 Å²	31.7	31%	0.309	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.4	177.1	-64.3	0	0	0	0	111.2	N222 F236 E237 E612	N222-V224 WeakPolarHBondContact ND2-CG1 3.3Å; V224-F236 WeakPolarHBondContact O-CA 3.17Å; V224-F236 WeakPolarHBondContact O-CD2 3.36Å; V224-E237 HydrophobicContact CG2-CB 3.8Å; V224-E237 PolarHBondContact N-O 2.93Å; V224-E237 PolarHBondContact O-N 3.19Å; V224-E612 WeakPolarHBondContact CA-OE1 3.11Å; V224-E612 HydrophobicContact CG1-CG 4.32Å
225	G	96.9	Very high	97.6	Very high	6 Å²	6	35 Å²	35	6%	0.062	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.2	40.6	176	0	0	0	0	0	113	K233 E612	G225-K233 VanDerWaalsContact O-CB 3.3Å; G225-K233 WeakPolarHBondContact O-CB 3.36Å; G225-K233 WeakPolarHBondContact O-CG 3.46Å; G225-K233 PolarHBondContact O-N 3.04Å; G225-E612 PolarHBondContact N-OE1 2.77Å
226	I	98	Very high	97.5	Very high	7 Å²	7	36 Å²	36	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.1	172	-52.2	-175.9	0	0	0	108.3	Y51 W62 D223 S231 K233 F236 D537 Q538 P539	Y51-I226 HydrophobicContact CD1-CD1 3.81Å; Y51-I226 HydrophobicContact CE1-CD1 3.99Å; W62-I226 HydrophobicContact CH2-CD1 3.93Å; W62-I226 HydrophobicContact CH2-CG1 3.97Å; W62-I226 HydrophobicContact CZ2-CD1 4.21Å; W62-I226 HydrophobicContact CZ2-CG1 4.3Å; W62-I226 HydrophobicContact CZ2-CG2 4.11Å; D223-I226 HydrophobicContact CB-CD1 4.47Å; I226-S231 WeakPolarHBondContact CG2-O 3.42Å; I226-K233 VanDerWaalsContact C-CE 3.47Å; I226-K233 WeakPolarHBondContact O-CE 3.19Å; I226-F236 HydrophobicContact CD1-CE2 4.1Å; I226-F236 HydrophobicContact CG1-CD2 3.88Å; I226-F236 HydrophobicContact CG1-CE2 3.94Å; I226-D537 VanDerWaalsContact O-O 3.12Å; I226-Q538 WeakPolarHBondContact O-CA 3.46Å; I226-P539 HydrophobicContact CB-CG 4.22Å; I226-P539 HydrophobicContact CG2-CG 3.59Å; I226-P539 WeakPolarHBondContact O-CD 3.37Å
227	A	97.7	Very high	97.4	Very high	11 Å²	11	42.4 Å²	42.4	9%	0.091	22%	0.224	C	C	.	.			trans	-73.1	161.1	178.8	0	0	0	0	0	112.1	D229 G230 S231 K233 P539	A227-D229 PolarHBondContact O-N 2.77Å; A227-D229 VanDerWaalsContact O-N 3.08Å; A227-G230 PolarHBondContact O-N 2.86Å; A227-S231 PolarHBondContact N-O 2.83Å; A227-K233 VanDerWaalsContact CA-CE 3.48Å; A227-K233 HydrophobicContact CB-CG 4.15Å; A227-P539 VanDerWaalsContact O-CD 3.31Å; A227-P539 WeakPolarHBondContact O-CD 3.37Å; A227-P539 WeakPolarHBondContact O-CG 3.32Å
228	K	97.3	Very high	97.4	Very high	109 Å²	109	42.4 Å²	42.4	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25	-176.4	-173.7	168.5	-176.5	171.1	0	114.7	T49 G230 D537	T49-K228 WeakPolarHBondContact CB-O 3.41Å; T49-K228 PolarHBondContact OG1-O 3.16Å; K228-G230 VanDerWaalsContact C-N 3.32Å; K228-D537 WeakPolarHBondContact CB-OD1 3.26Å; K228-D537 PolarHBondContact N-OD1 3.19Å
229	D	96.6	Very high	97.3	Very high	82 Å²	82	42.7 Å²	42.7	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.5	176.1	79.6	-22.9	0	0	0	113.8	R61 A227 S231	R61-D229 PolarHBondContact NH1-O 3.35Å; R61-D229 IonicContact NH1-OD1 3.63Å; R61-D229 PolarHBondContact NH1-OD1 2.97Å; R61-D229 IonicContact NH1-OD2 3.21Å; R61-D229 PolarHBondContact NH1-OD2 3.37Å; R61-D229 PolarHBondContact NH2-O 3.47Å; A227-D229 PolarHBondContact O-N 2.77Å; A227-D229 VanDerWaalsContact O-N 3.08Å; D229-S231 WeakPolarHBondContact OD1-CB 3.35Å; D229-S231 PolarHBondContact OD1-N 3.41Å; D229-S231 PolarHBondContact OD1-OG 2.8Å
230	G	96.9	Very high	97.2	Very high	6 Å²	6	44.5 Å²	44.5	6%	0.062	23%	0.234	C	C	.	.	S	Bend	trans	87.8	5.1	-177.3	0	0	0	0	0	115.4	W62 A227 K228	W62-G230 PolarHBondContact NE1-O 2.61Å; A227-G230 PolarHBondContact O-N 2.86Å; K228-G230 VanDerWaalsContact C-N 3.32Å
231	S	97.2	Very high	97.2	Very high	28 Å²	28	46.4 Å²	46.4	20%	0.196	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-73.2	152.1	171.6	85.3	0	0	0	0	111.4	I226 A227 D229	I226-S231 WeakPolarHBondContact CG2-O 3.42Å; A227-S231 PolarHBondContact N-O 2.83Å; D229-S231 WeakPolarHBondContact OD1-CB 3.35Å; D229-S231 PolarHBondContact OD1-N 3.41Å; D229-S231 PolarHBondContact OD1-OG 2.8Å
232	P	97.7	Very high	97.2	Very high	23 Å²	23	46.2 Å²	46.2	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	151.5	163.8	30.3	-32.7	0	0	0	109.7	R61 W62 M65 F236	R61-P232 WeakPolarHBondContact O-CD 2.94Å; R61-P232 WeakPolarHBondContact O-CG 3.5Å; W62-P232 HydrophobicContact CD2-CB 4.46Å; W62-P232 HydrophobicContact CD2-CG 4.27Å; W62-P232 HydrophobicContact CE3-CB 4.29Å; W62-P232 HydrophobicContact CE3-CG 4.45Å; W62-P232 HydrophobicContact CH2-CB 3.93Å; W62-P232 HydrophobicContact CZ2-CB 4.12Å; W62-P232 HydrophobicContact CZ3-CB 4.02Å; M65-P232 HydrophobicContact CE-CB 4.33Å; M65-P232 HydrophobicContact CG-CG 4.22Å; M65-P232 HydrophobicContact SD-CB 4.4Å; M65-P232 HydrophobicContact SD-CG 4.31Å; P232-F236 HydrophobicContact CB-CB 4.12Å; P232-F236 HydrophobicContact CB-CG 4.3Å
233	K	97.3	Very high	97.3	Very high	51 Å²	51	46.7 Å²	46.7	22%	0.222	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	167.2	165.1	-56.8	-176.1	-165.1	-165.9	0	109.6	G225 I226 A227 T235 F236 D537	G225-K233 VanDerWaalsContact O-CB 3.3Å; G225-K233 WeakPolarHBondContact O-CB 3.36Å; G225-K233 WeakPolarHBondContact O-CG 3.46Å; G225-K233 PolarHBondContact O-N 3.04Å; I226-K233 VanDerWaalsContact C-CE 3.47Å; I226-K233 WeakPolarHBondContact O-CE 3.19Å; A227-K233 VanDerWaalsContact CA-CE 3.48Å; A227-K233 HydrophobicContact CB-CG 4.15Å; K233-T235 PolarHBondContact O-N 3.19Å; K233-T235 VanDerWaalsContact O-N 3.08Å; K233-F236 VanDerWaalsContact O-CB 3.27Å; K233-F236 WeakPolarHBondContact O-CB 3.38Å; K233-F236 PolarHBondContact O-N 3.23Å; K233-D537 VanDerWaalsContact CE-O 3.29Å; K233-D537 WeakPolarHBondContact CE-O 3.41Å; K233-D537 WeakPolarHBondContact CE-OD2 3.34Å; K233-D537 PolarHBondContact NZ-O 2.75Å; K233-D537 IonicContact NZ-OD2 3.56Å; K233-D537 PolarHBondContact NZ-OD2 3.06Å
234	D	96.2	Very high	97.4	Very high	180 Å²	180	47 Å²	47	96%	0.963	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	-19.3	170.3	-57.8	-21.2	0	0	0	112.9
235	T	96.3	Very high	97.5	Very high	97 Å²	97	47.7 Å²	47.7	60%	0.595	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	26.4	176	67.8	0	0	0	0	112.5	K233 E237	K233-T235 PolarHBondContact O-N 3.19Å; K233-T235 VanDerWaalsContact O-N 3.08Å; T235-E237 PolarHBondContact O-N 2.82Å
236	F	97.4	Very high	97.5	Very high	23 Å²	23	47.4 Å²	47.4	10%	0.101	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.2	176	172.7	-102.4	0	0	0	110.7	W62 M65 M67 D223 V224 I226 P232 K233 R238	W62-F236 AromaticContact CH2-CD2 3.71Å; W62-F236 HydrophobicContact CH2-CD2 3.71Å; W62-F236 HydrophobicContact CH2-CE1 4.47Å; W62-F236 AromaticContact CH2-CE2 3.48Å; W62-F236 HydrophobicContact CH2-CE2 3.48Å; W62-F236 VanDerWaalsContact CH2-CE2 3.48Å; W62-F236 HydrophobicContact CH2-CG 4.31Å; W62-F236 AromaticContact CH2-CZ 3.89Å; W62-F236 HydrophobicContact CH2-CZ 3.89Å; W62-F236 HydrophobicContact CZ3-CD1 4.12Å; W62-F236 AromaticContact CZ3-CD2 3.94Å; W62-F236 HydrophobicContact CZ3-CD2 3.94Å; W62-F236 AromaticContact CZ3-CE1 3.75Å; W62-F236 HydrophobicContact CZ3-CE1 3.75Å; W62-F236 AromaticContact CZ3-CE2 3.59Å; W62-F236 HydrophobicContact CZ3-CE2 3.59Å; W62-F236 HydrophobicContact CZ3-CG 4.19Å; W62-F236 AromaticContact CZ3-CZ 3.48Å; W62-F236 HydrophobicContact CZ3-CZ 3.48Å; W62-F236 VanDerWaalsContact CZ3-CZ 3.48Å; M65-F236 HydrophobicContact CE-CB 4.27Å; M65-F236 HydrophobicContact CE-CD1 3.54Å; M65-F236 HydrophobicContact CE-CE1 4.34Å; M65-F236 HydrophobicContact CE-CG 4.24Å; M67-F236 HydrophobicContact SD-CE1 4.14Å; M67-F236 HydrophobicContact SD-CZ 4.25Å; D223-F236 HydrophobicContact CB-CE2 3.94Å; D223-F236 HydrophobicContact CB-CZ 4.38Å; V224-F236 WeakPolarHBondContact O-CA 3.17Å; V224-F236 WeakPolarHBondContact O-CD2 3.36Å; I226-F236 HydrophobicContact CD1-CE2 4.1Å; I226-F236 HydrophobicContact CG1-CD2 3.88Å; I226-F236 HydrophobicContact CG1-CE2 3.94Å; P232-F236 HydrophobicContact CB-CB 4.12Å; P232-F236 HydrophobicContact CB-CG 4.3Å; K233-F236 VanDerWaalsContact O-CB 3.27Å; K233-F236 WeakPolarHBondContact O-CB 3.38Å; K233-F236 PolarHBondContact O-N 3.23Å; F236-R238 HydrophobicContact CE1-CG 3.78Å; F236-R238 VanDerWaalsContact CZ-CD 3.49Å; F236-R238 HydrophobicContact CZ-CG 3.85Å
237	E	96.8	Very high	97.6	Very high	134 Å²	134	47 Å²	47	63%	0.626	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.1	171.8	-65.3	-178.7	-177.9	0	0	110.5	D223 V224 T235	D223-E237 WeakPolarHBondContact CA-O 3.38Å; D223-E237 WeakPolarHBondContact CB-O 3.42Å; V224-E237 HydrophobicContact CG2-CB 3.8Å; V224-E237 PolarHBondContact N-O 2.93Å; V224-E237 PolarHBondContact O-N 3.19Å; T235-E237 PolarHBondContact O-N 2.82Å
238	R	97.4	Very high	97.6	Very high	62 Å²	62	46.5 Å²	46.5	23%	0.234	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-76.8	140.5	174.9	-69.7	-76.7	-77.4	147.3	-6.1	110.2	M67 R69 D223 F236	M67-R238 PolarHBondContact O-NE 2.88Å; M67-R238 PolarHBondContact O-NH2 2.89Å; M67-R238 VanDerWaalsContact O-NH2 3.15Å; R69-R238 HydrophobicContact CG-CB 4.04Å; R69-R238 VanDerWaalsContact CZ-NH1 3.27Å; D223-R238 IonicContact OD1-CZ 3.88Å; D223-R238 IonicContact OD1-NH1 3.04Å; D223-R238 PolarHBondContact OD1-NH1 3.25Å; D223-R238 IonicContact OD2-CZ 3.95Å; D223-R238 IonicContact OD2-NH1 2.86Å; D223-R238 PolarHBondContact OD2-NH1 3.09Å; F236-R238 HydrophobicContact CE1-CG 3.78Å; F236-R238 VanDerWaalsContact CZ-CD 3.49Å; F236-R238 HydrophobicContact CZ-CG 3.85Å
239	G	96.8	Very high	97.7	Very high	5 Å²	5	41.3 Å²	41.3	5%	0.052	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.8	156.2	172.4	0	0	0	0	0	112.1	R69 T221 N222 D223	R69-G239 WeakPolarHBondContact CD-O 3.44Å; R69-G239 WeakPolarHBondContact CG-O 3.26Å; R69-G239 PolarHBondContact NE-O 3.14Å; T221-G239 VanDerWaalsContact OG1-CA 3.22Å; T221-G239 WeakPolarHBondContact OG1-CA 3.48Å; N222-G239 VanDerWaalsContact O-CA 3.31Å; N222-G239 WeakPolarHBondContact O-CA 3.44Å; D223-G239 PolarHBondContact OD1-N 3.07Å
240	M	97.7	Very high	97.8	Very high	39 Å²	39	37.7 Å²	37.7	19%	0.192	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-79	143.1	179.7	-177.6	169.9	70.1	0	0	111.2	F70 D72 A220 T221 L242	F70-M240 HydrophobicContact CD1-CG 4Å; F70-M240 HydrophobicContact CD1-SD 3.82Å; F70-M240 HydrophobicContact CE1-SD 4.19Å; D72-M240 HydrophobicContact CB-SD 4.43Å; A220-M240 CarbonylContact C-O 3.54Å; A220-M240 VanDerWaalsContact CA-O 3.28Å; A220-M240 WeakPolarHBondContact CA-O 3.24Å; T221-M240 PolarHBondContact N-O 2.74Å; T221-M240 PolarHBondContact OG1-N 3.25Å; M240-L242 HydrophobicContact CE-CD2 3.84Å; M240-L242 HydrophobicContact CE-CG 4.15Å
241	E	98.7	Very high	97.9	Very high	40 Å²	40	38.7 Å²	38.7	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.7	166.8	-56.4	-161.3	164.8	0	0	110.8	R69 F70 A71 D72 L209 A220 H243	R69-E241 HydrophobicContact CB-CG 3.74Å; R69-E241 WeakPolarHBondContact CD-OE1 3.46Å; R69-E241 HydrophobicContact CG-CG 4.19Å; R69-E241 IonicContact NH1-OE1 3.22Å; F70-E241 PolarHBondContact O-N 2.8Å; A71-E241 WeakPolarHBondContact CA-O 3.48Å; A71-E241 HydrophobicContact CB-CB 4.02Å; D72-E241 PolarHBondContact N-O 3.17Å; L209-E241 HydrophobicContact CD1-CB 3.7Å; L209-E241 HydrophobicContact CD1-CG 3.78Å; A220-E241 HydrophobicContact CB-CG 4.18Å; E241-H243 WeakPolarHBondContact CB-NE2 3.18Å; E241-H243 IonicContact OE2-CD2 3.4Å; E241-H243 IonicContact OE2-CE1 2.93Å; E241-H243 IonicContact OE2-NE2 2.59Å; E241-H243 PolarHBondContact OE2-NE2 2.99Å
242	L	98.6	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	103.7	171.5	-74	175.3	0	0	0	107.7	D72 V77 V108 G218 I219 M240	D72-L242 HydrophobicContact CB-CD2 4.17Å; D72-L242 WeakPolarHBondContact O-CA 3.49Å; V77-L242 HydrophobicContact CG1-CB 4.43Å; V77-L242 HydrophobicContact CG2-CB 3.83Å; V108-L242 HydrophobicContact CG1-CD1 3.51Å; G218-L242 WeakPolarHBondContact CA-O 3.47Å; I219-L242 HydrophobicContact CD1-CB 4.19Å; I219-L242 HydrophobicContact CD1-CD1 4.14Å; I219-L242 HydrophobicContact CG1-CB 4.5Å; I219-L242 PolarHBondContact N-O 3.42Å; I219-L242 VanDerWaalsContact N-O 3.09Å; I219-L242 PolarHBondContact O-N 3.28Å; M240-L242 HydrophobicContact CE-CD2 3.84Å; M240-L242 HydrophobicContact CE-CG 4.15Å
243	H	98.8	Very high	98	Very high	21 Å²	21	37.8 Å²	37.8	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.2	177.6	-56.6	165.1	0	0	0	109.7	D72 E73 A74 K217 E241	D72-H243 PolarHBondContact O-N 3.17Å; E73-H243 HydrophobicContact CG-CB 4.43Å; A74-H243 PolarHBondContact N-O 3.49Å; K217-H243 VanDerWaalsContact CE-CG 3.48Å; K217-H243 WeakPolarHBondContact CE-ND1 3.47Å; K217-H243 HydrophobicContact CG-CB 4.35Å; K217-H243 PolarHBondContact NZ-CE1 2.82Å; K217-H243 PolarHBondContact NZ-ND1 3.15Å; K217-H243 VanDerWaalsContact NZ-ND1 3.18Å; K217-H243 PolarHBondContact NZ-NE2 3.24Å; K217-H243 CarbonylContact O-C 3.51Å; K217-H243 WeakPolarHBondContact O-CA 3.4Å; E241-H243 WeakPolarHBondContact CB-NE2 3.18Å; E241-H243 IonicContact OE2-CD2 3.4Å; E241-H243 IonicContact OE2-CE1 2.93Å; E241-H243 IonicContact OE2-NE2 2.59Å; E241-H243 PolarHBondContact OE2-NE2 2.99Å
244	A	98.4	Very high	98.1	Very high	11 Å²	11	36.5 Å²	36.5	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.6	178.7	0	0	0	0	0	114.4	A74 V77 K217 V246	A74-A244 VanDerWaalsContact O-CA 3.23Å; A74-A244 WeakPolarHBondContact O-CA 3.47Å; V77-A244 HydrophobicContact CB-CB 4.05Å; V77-A244 HydrophobicContact CG2-CB 3.71Å; K217-A244 PolarHBondContact O-N 3.28Å; A244-V246 PolarHBondContact O-N 2.73Å
245	K	98	Very high	98.2	Very high	66 Å²	66	28 Å²	28	29%	0.287	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-32.4	171.1	-60.6	169.8	178.2	166	0	111.7	D75 V423 L428 L435	D75-K245 WeakPolarHBondContact O-CB 3.45Å; D75-K245 PolarHBondContact O-N 3.11Å; D75-K245 WeakPolarHBondContact OD1-CE 3.4Å; D75-K245 IonicContact OD1-NZ 3.8Å; D75-K245 PolarHBondContact OD1-NZ 3.24Å; K245-V423 HydrophobicContact CB-CG1 4.23Å; K245-V423 HydrophobicContact CD-CB 4.23Å; K245-V423 HydrophobicContact CD-CG1 4.34Å; K245-V423 PolarHBondContact NZ-O 2.94Å; K245-L428 HydrophobicContact CD-CD1 4.3Å; K245-L435 HydrophobicContact CB-CD1 4.03Å; K245-L435 HydrophobicContact CB-CG 4.31Å; K245-L435 PolarHBondContact O-N 3.21Å
246	V	98.5	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.4	172.4	60.5	0	0	0	0	111.7	V76 V77 A244 L388 I419 V423 I437	V76-V246 WeakPolarHBondContact CA-O 3.46Å; V76-V246 HydrophobicContact CG1-CG1 4.26Å; V76-V246 HydrophobicContact CG2-CG1 3.99Å; V77-V246 PolarHBondContact N-O 3.26Å; A244-V246 PolarHBondContact O-N 2.73Å; V246-L388 HydrophobicContact CG2-CD1 4.26Å; V246-L388 HydrophobicContact CG2-CG 4.22Å; V246-I419 HydrophobicContact CG1-CG1 4.28Å; V246-I419 HydrophobicContact CG1-CG2 3.76Å; V246-V423 HydrophobicContact CG1-CG1 3.97Å; V246-I437 HydrophobicContact CB-CD1 4.23Å; V246-I437 HydrophobicContact CG1-CD1 4.27Å; V246-I437 HydrophobicContact CG2-CD1 3.95Å
247	T	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.5	173.1	-57.5	0	0	0	0	112.1	V77 V79 G218 I219 F249 G386 G387 L388	V77-T247 HydrophobicContact CB-CG2 4.39Å; V77-T247 HydrophobicContact CG1-CG2 4.22Å; V77-T247 CarbonylContact O-C 3.58Å; V77-T247 WeakPolarHBondContact O-CA 3.23Å; V79-T247 HydrophobicContact CG2-CG2 4.12Å; G218-T247 WeakPolarHBondContact CA-OG1 3.32Å; I219-T247 HydrophobicContact CG2-CG2 4.16Å; T247-F249 HydrophobicContact CG2-CD2 4.14Å; T247-F249 HydrophobicContact CG2-CE1 3.99Å; T247-F249 HydrophobicContact CG2-CE2 3.5Å; T247-F249 HydrophobicContact CG2-CZ 3.41Å; T247-F249 VanDerWaalsContact CG2-CZ 3.41Å; T247-G386 PolarHBondContact N-O 3.09Å; T247-G387 CarbonylContact O-C 3.52Å; T247-G387 WeakPolarHBondContact O-CA 3.3Å; T247-L388 PolarHBondContact O-N 3.32Å
248	V	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.6	-178.7	-175.2	0	0	0	0	110.4	V76 V77 I78 V79 G250 I390 I419	V76-V248 HydrophobicContact CG1-CG2 3.94Å; V77-V248 PolarHBondContact O-N 3.24Å; I78-V248 HydrophobicContact CG1-CB 4.2Å; I78-V248 HydrophobicContact CG1-CG2 4.48Å; V79-V248 PolarHBondContact N-O 3.22Å; V248-G250 PolarHBondContact O-N 3.16Å; V248-I390 HydrophobicContact CG1-CD1 3.51Å; V248-I390 HydrophobicContact CG1-CG1 3.79Å; V248-I390 HydrophobicContact CG1-CG2 3.94Å; V248-I419 HydrophobicContact CG2-CD1 3.6Å
249	F	98.9	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	96.2	-175.8	-65.9	-87.8	0	0	0	111.4	V79 V208 V216 I219 T247 L257 L261 F384 L388 L389 I390	V79-F249 HydrophobicContact CB-CD1 4.34Å; V79-F249 HydrophobicContact CG2-CD1 4.16Å; V79-F249 HydrophobicContact CG2-CE1 4.18Å; V208-F249 HydrophobicContact CG1-CZ 4.33Å; V208-F249 HydrophobicContact CG2-CE1 4.05Å; V208-F249 HydrophobicContact CG2-CZ 4.21Å; V216-F249 HydrophobicContact CG1-CE2 4.37Å; V216-F249 HydrophobicContact CG1-CZ 4.28Å; I219-F249 HydrophobicContact CG2-CE1 4.02Å; I219-F249 HydrophobicContact CG2-CZ 4.24Å; T247-F249 HydrophobicContact CG2-CD2 4.14Å; T247-F249 HydrophobicContact CG2-CE1 3.99Å; T247-F249 HydrophobicContact CG2-CE2 3.5Å; T247-F249 HydrophobicContact CG2-CZ 3.41Å; T247-F249 VanDerWaalsContact CG2-CZ 3.41Å; F249-L257 HydrophobicContact CD1-CB 4.11Å; F249-L257 HydrophobicContact CD1-CD1 4.4Å; F249-L257 HydrophobicContact CE1-CB 4.07Å; F249-L257 HydrophobicContact CE1-CD1 3.97Å; F249-L261 HydrophobicContact CD1-CD1 3.7Å; F249-L261 HydrophobicContact CD2-CD1 3.68Å; F249-L261 HydrophobicContact CE1-CD1 3.72Å; F249-L261 HydrophobicContact CE2-CD1 3.69Å; F249-L261 HydrophobicContact CG-CD1 3.69Å; F249-L261 HydrophobicContact CZ-CD1 3.71Å; F249-F384 HydrophobicContact CD2-CE2 4.43Å; F249-F384 AromaticContact CD2-CZ 3.83Å; F249-F384 HydrophobicContact CD2-CZ 3.83Å; F249-F384 HydrophobicContact CE2-CE2 4.1Å; F249-F384 AromaticContact CE2-CZ 3.94Å; F249-F384 HydrophobicContact CE2-CZ 3.94Å; F249-L388 PolarHBondContact N-O 3.33Å; F249-L389 HydrophobicContact CB-CD2 3.91Å; F249-I390 PolarHBondContact O-N 3.4Å
250	G	98.6	Very high	98.6	Very high	6 Å²	6	20 Å²	20	6%	0.062	10%	0.103	C	C	.	.			trans	-109	20.2	-176.7	0	0	0	0	0	115.4	V79 V248 G252	V79-G250 CarbonylContact O-C 3.51Å; V79-G250 WeakPolarHBondContact O-CA 3.31Å; V79-G250 PolarHBondContact O-N 2.69Å; V248-G250 PolarHBondContact O-N 3.16Å; G250-G252 PolarHBondContact O-N 2.92Å
251	E	98.8	Very high	98.7	Very high	27 Å²	27	18.2 Å²	18.2	13%	0.126	9%	0.094	C	C	.	.			trans	-51.2	-8.9	-173.8	-65.8	-175.6	81.6	0	0	117.2	V79 G255 H256 L257 A258	V79-E251 HydrophobicContact CG1-CG 3.87Å; V79-E251 PolarHBondContact O-N 2.85Å; E251-G255 WeakPolarHBondContact OE1-CA 3.4Å; E251-G255 WeakPolarHBondContact OE2-CA 3.34Å; E251-H256 VanDerWaalsContact CD-N 3.32Å; E251-H256 IonicContact OE1-CE1 2.76Å; E251-H256 IonicContact OE1-CG 2.66Å; E251-H256 PolarHBondContact OE1-N 3.29Å; E251-H256 IonicContact OE1-ND1 3.38Å; E251-H256 PolarHBondContact OE1-ND1 3.09Å; E251-H256 PolarHBondContact OE2-N 3.13Å; E251-H256 VanDerWaalsContact OE2-N 3.16Å; E251-L257 PolarHBondContact OE1-N 3.35Å; E251-L257 WeakPolarHBondContact OE2-CB 3.42Å; E251-L257 PolarHBondContact OE2-N 3.01Å; E251-A258 PolarHBondContact OE2-N 3.37Å
252	G	98.6	Very high	98.7	Very high	22 Å²	22	17.7 Å²	17.7	23%	0.227	9%	0.09	C	C	.	.			trans	75.7	-163.3	-173.9	0	0	0	0	0	113	G250 H254 G255 S393	G250-G252 PolarHBondContact O-N 2.92Å; G252-H254 PolarHBondContact O-N 2.93Å; G252-G255 PolarHBondContact O-N 2.8Å; G252-S393 WeakPolarHBondContact O-CA 3.13Å; G252-S393 PolarHBondContact O-N 3.28Å
253	C	98.7	Very high	98.6	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.061	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	123.4	-175.1	-179.9	0	0	0	0	111.9	Y276 A370 N372 C392	C253-Y276 VanDerWaalsContact SG-CD1 3.55Å; C253-A370 VanDerWaalsContact CB-O 3.24Å; C253-A370 WeakPolarHBondContact CB-O 3.35Å; C253-A370 PolarHBondContact SG-O 3.49Å; C253-A370 VanDerWaalsContact SG-O 3.4Å; C253-N372 WeakPolarHBondContact CB-OD1 3.2Å; C253-N372 PolarHBondContact SG-OD1 3.38Å; C253-C392 WeakPolarHBondContact CA-O 3.33Å; C253-C392 HydrophobicContact CB-CB 4.47Å
254	H	98.8	Very high	98.6	Very high	24 Å²	24	31 Å²	31	11%	0.111	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	57.7	178.1	-156.4	92.4	0	0	0	112.5	G252 Y276 K595 D598 I599	G252-H254 PolarHBondContact O-N 2.93Å; H254-Y276 HydrophobicContact CB-CE1 4.04Å; H254-Y276 AromaticContact ND1-CE2 3.86Å; H254-Y276 AromaticContact ND1-CZ 3.41Å; H254-Y276 PolarHBondContact ND1-OH 3.19Å; H254-Y276 VanDerWaalsContact ND1-OH 3.07Å; H254-K595 HydrophobicContact CB-CB 3.97Å; H254-K595 HydrophobicContact CB-CG 4.27Å; H254-K595 PolarHBondContact O-NZ 2.98Å; H254-D598 IonicContact NE2-OD1 2.77Å; H254-D598 PolarHBondContact NE2-OD1 3.28Å; H254-I599 HydrophobicContact CB-CD1 3.93Å; H254-I599 HydrophobicContact CB-CG1 4.24Å; H254-I599 WeakPolarHBondContact ND1-CG1 3.41Å
255	G	98.6	Very high	98.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	15%	0.154	C	C	.	.			trans	-56.2	138.8	168.7	0	0	0	0	0	112.1	E251 G252 K259	E251-G255 WeakPolarHBondContact OE1-CA 3.4Å; E251-G255 WeakPolarHBondContact OE2-CA 3.34Å; G252-G255 PolarHBondContact O-N 2.8Å; G255-K259 WeakPolarHBondContact O-CB 3.12Å; G255-K259 PolarHBondContact O-N 3.16Å
256	H	98.6	Very high	98.6	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.032	16%	0.164	C	C	.	.	H	α-helix	trans	-88.8	-25.1	-174	85.7	-55.4	0	0	0	113.2	A205 E251 Q260 W608 V610	A205-H256 PolarHBondContact O-CE1 3.32Å; A205-H256 VanDerWaalsContact O-CE1 3.26Å; E251-H256 VanDerWaalsContact CD-N 3.32Å; E251-H256 IonicContact OE1-CE1 2.76Å; E251-H256 IonicContact OE1-CG 2.66Å; E251-H256 PolarHBondContact OE1-N 3.29Å; E251-H256 IonicContact OE1-ND1 3.38Å; E251-H256 PolarHBondContact OE1-ND1 3.09Å; E251-H256 PolarHBondContact OE2-N 3.13Å; E251-H256 VanDerWaalsContact OE2-N 3.16Å; H256-Q260 WeakPolarHBondContact O-CG 3.34Å; H256-Q260 PolarHBondContact O-NE2 3.35Å; H256-W608 HydrophobicContact CB-CE3 3.85Å; H256-W608 HydrophobicContact CB-CZ3 4.06Å; H256-W608 WeakPolarHBondContact CB-O 3.26Å; H256-W608 AromaticContact CG-CZ3 3.92Å; H256-V610 WeakPolarHBondContact CE1-CG1 3.47Å
257	L	98.8	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-77.1	-43.3	166.1	-55.5	-172.8	0	0	0	108.7	V79 A205 V208 I219 F249 E251 K259 Q260 L261	V79-L257 HydrophobicContact CG1-CD1 4.45Å; A205-L257 HydrophobicContact CB-CD1 3.78Å; V208-L257 HydrophobicContact CG2-CB 3.89Å; V208-L257 HydrophobicContact CG2-CD1 4.08Å; V208-L257 HydrophobicContact CG2-CD2 4.15Å; V208-L257 HydrophobicContact CG2-CG 4.24Å; I219-L257 HydrophobicContact CG2-CD1 4.14Å; F249-L257 HydrophobicContact CD1-CB 4.11Å; F249-L257 HydrophobicContact CD1-CD1 4.4Å; F249-L257 HydrophobicContact CE1-CB 4.07Å; F249-L257 HydrophobicContact CE1-CD1 3.97Å; E251-L257 PolarHBondContact OE1-N 3.35Å; E251-L257 WeakPolarHBondContact OE2-CB 3.42Å; E251-L257 PolarHBondContact OE2-N 3.01Å; L257-K259 VanDerWaalsContact C-N 3.28Å; L257-K259 PolarHBondContact O-N 2.96Å; L257-Q260 WeakPolarHBondContact O-CA 3.21Å; L257-Q260 WeakPolarHBondContact O-CB 3.42Å; L257-Q260 PolarHBondContact O-N 3.42Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 2.8Å
258	A	98.8	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.5	-41.5	173.5	0	0	0	0	0	112.9	E251 Q260 L261 Y262 L389 S393	E251-A258 PolarHBondContact OE2-N 3.37Å; A258-Q260 VanDerWaalsContact C-N 3.28Å; A258-Q260 PolarHBondContact O-N 2.86Å; A258-L261 PolarHBondContact O-N 3.08Å; A258-Y262 HydrophobicContact CB-CE2 4.45Å; A258-Y262 VanDerWaalsContact O-CD2 3.23Å; A258-Y262 WeakPolarHBondContact O-CD2 3.19Å; A258-Y262 PolarHBondContact O-N 2.93Å; A258-L389 HydrophobicContact CB-CD2 3.75Å; A258-S393 WeakPolarHBondContact CB-OG 3.41Å
259	K	98.6	Very high	98.6	Very high	51 Å²	51	42.8 Å²	42.8	22%	0.222	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-39.7	172.9	-177.5	-175.5	178.7	-171.2	0	112.8	G255 L257 D598 N607	G255-K259 WeakPolarHBondContact O-CB 3.12Å; G255-K259 PolarHBondContact O-N 3.16Å; L257-K259 VanDerWaalsContact C-N 3.28Å; L257-K259 PolarHBondContact O-N 2.96Å; K259-D598 WeakPolarHBondContact CE-OD1 3.35Å; K259-D598 IonicContact NZ-OD1 3.83Å; K259-D598 PolarHBondContact NZ-OD1 2.82Å; K259-D598 IonicContact NZ-OD2 3.56Å; K259-D598 PolarHBondContact NZ-OD2 2.78Å; K259-N607 PolarHBondContact NZ-OD1 2.81Å
260	Q	98.2	Very high	98.5	Very high	96 Å²	96	49.9 Å²	49.9	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-75.3	-44.7	177.8	-64.3	171.9	76.4	0	0	111	H256 L257 A258 Y262 K263 Q264	H256-Q260 WeakPolarHBondContact O-CG 3.34Å; H256-Q260 PolarHBondContact O-NE2 3.35Å; L257-Q260 WeakPolarHBondContact O-CA 3.21Å; L257-Q260 WeakPolarHBondContact O-CB 3.42Å; L257-Q260 PolarHBondContact O-N 3.42Å; A258-Q260 VanDerWaalsContact C-N 3.28Å; A258-Q260 PolarHBondContact O-N 2.86Å; Q260-Y262 VanDerWaalsContact C-N 3.3Å; Q260-Y262 PolarHBondContact O-N 3.47Å; Q260-K263 WeakPolarHBondContact O-CB 3.4Å; Q260-K263 PolarHBondContact O-N 3.07Å; Q260-Q264 PolarHBondContact O-N 3.22Å
261	L	98.8	Very high	98.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-37.6	177.2	-69.6	163.9	0	0	0	112.9	V208 F210 V216 F249 L257 A258 K263 Q264 F265 F384	V208-L261 HydrophobicContact CG1-CD2 4.25Å; V208-L261 HydrophobicContact CG2-CD1 4.5Å; V208-L261 HydrophobicContact CG2-CD2 4.45Å; V208-L261 HydrophobicContact CG2-CG 4.42Å; F210-L261 HydrophobicContact CZ-CD2 4.46Å; V216-L261 HydrophobicContact CG2-CD2 4.05Å; F249-L261 HydrophobicContact CD1-CD1 3.7Å; F249-L261 HydrophobicContact CD2-CD1 3.68Å; F249-L261 HydrophobicContact CE1-CD1 3.72Å; F249-L261 HydrophobicContact CE2-CD1 3.69Å; F249-L261 HydrophobicContact CG-CD1 3.69Å; F249-L261 HydrophobicContact CZ-CD1 3.71Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 2.8Å; A258-L261 PolarHBondContact O-N 3.08Å; L261-K263 PolarHBondContact O-N 2.72Å; L261-Q264 PolarHBondContact O-N 2.78Å; L261-F265 HydrophobicContact CD2-CD2 4.04Å; L261-F265 HydrophobicContact CD2-CE2 3.69Å; L261-F265 PolarHBondContact O-N 2.76Å; L261-F384 HydrophobicContact CD1-CZ 3.91Å; L261-F384 HydrophobicContact CD2-CE2 3.95Å; L261-F384 HydrophobicContact CD2-CZ 4.04Å; L261-F384 HydrophobicContact CG-CZ 4.41Å
262	Y	98.7	Very high	98.5	Very high	30 Å²	30	51.5 Å²	51.5	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-36.3	173.2	-65	-31.7	0	0	0	113.1	A258 Q260 N266 L267 R268 P380 L389 S393	A258-Y262 HydrophobicContact CB-CE2 4.45Å; A258-Y262 VanDerWaalsContact O-CD2 3.23Å; A258-Y262 WeakPolarHBondContact O-CD2 3.19Å; A258-Y262 PolarHBondContact O-N 2.93Å; Q260-Y262 VanDerWaalsContact C-N 3.3Å; Q260-Y262 PolarHBondContact O-N 3.47Å; Y262-N266 CarbonylContact O-C 3.55Å; Y262-N266 WeakPolarHBondContact O-CA 3.45Å; Y262-N266 PolarHBondContact O-N 3.06Å; Y262-L267 HydrophobicContact CD1-CB 4.05Å; Y262-L267 HydrophobicContact CD1-CD1 4.03Å; Y262-L267 PolarHBondContact O-N 3Å; Y262-R268 HydrophobicContact CD1-CG 4.4Å; Y262-R268 HydrophobicContact CG-CG 4.05Å; Y262-R268 PolarHBondContact OH-NH2 3.12Å; Y262-P380 HydrophobicContact CD1-CB 4.36Å; Y262-P380 HydrophobicContact CE1-CB 4.09Å; Y262-P380 HydrophobicContact CE1-CG 3.77Å; Y262-L389 HydrophobicContact CD1-CD1 4.3Å; Y262-L389 HydrophobicContact CE1-CD1 3.69Å; Y262-L389 HydrophobicContact CE1-CD2 4.4Å; Y262-S393 PolarHBondContact OH-O 2.66Å
263	K	98	Very high	98.5	Very high	187 Å²	187	52.9 Å²	52.9	81%	0.813	26%	0.256	S	S	*	.	H	α-helix	trans	-79.8	-45.9	176.7	-173.6	-172.9	174.7	-166.7	0	111.1	Q260 L261 F265 N266	Q260-K263 WeakPolarHBondContact O-CB 3.4Å; Q260-K263 PolarHBondContact O-N 3.07Å; L261-K263 PolarHBondContact O-N 2.72Å; K263-F265 VanDerWaalsContact C-N 3.34Å; K263-F265 PolarHBondContact O-N 2.89Å; K263-N266 PolarHBondContact O-N 2.94Å
264	Q	98.3	Very high	98.5	Very high	112 Å²	112	52.8 Å²	52.8	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-44.3	-176.7	-177.2	64.8	5.9	0	0	112.5	F210 Q260 L261	F210-Q264 HydrophobicContact CE1-CG 3.88Å; F210-Q264 HydrophobicContact CZ-CG 3.97Å; Q260-Q264 PolarHBondContact O-N 3.22Å; L261-Q264 PolarHBondContact O-N 2.78Å
265	F	98.6	Very high	98.4	Very high	45 Å²	45	51.7 Å²	51.7	20%	0.197	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.9	-176.1	-61	-71.1	0	0	0	113.6	F210 G214 V216 L261 K263 L267 F384	F210-F265 HydrophobicContact CD1-CZ 4.38Å; F210-F265 AromaticContact CE1-CE2 3.95Å; F210-F265 HydrophobicContact CE1-CE2 3.95Å; F210-F265 AromaticContact CE1-CZ 3.85Å; F210-F265 HydrophobicContact CE1-CZ 3.85Å; G214-F265 WeakPolarHBondContact O-CE1 3.41Å; G214-F265 WeakPolarHBondContact O-CZ 3.34Å; V216-F265 HydrophobicContact CG2-CE2 3.89Å; V216-F265 HydrophobicContact CG2-CZ 4.03Å; L261-F265 HydrophobicContact CD2-CD2 4.04Å; L261-F265 HydrophobicContact CD2-CE2 3.69Å; L261-F265 PolarHBondContact O-N 2.76Å; K263-F265 VanDerWaalsContact C-N 3.34Å; K263-F265 PolarHBondContact O-N 2.89Å; F265-L267 HydrophobicContact CB-CD1 4.34Å; F265-L267 HydrophobicContact CB-CD2 3.58Å; F265-L267 HydrophobicContact CB-CG 3.78Å; F265-L267 PolarHBondContact O-N 3.07Å; F265-F384 HydrophobicContact CB-CB 4.17Å; F265-F384 HydrophobicContact CD1-CB 4.06Å; F265-F384 HydrophobicContact CD2-CB 3.84Å; F265-F384 HydrophobicContact CD2-CD1 4.26Å; F265-F384 AromaticContact CD2-CD2 3.78Å; F265-F384 HydrophobicContact CD2-CD2 3.78Å; F265-F384 HydrophobicContact CD2-CE2 4.44Å; F265-F384 AromaticContact CD2-CG 3.69Å; F265-F384 HydrophobicContact CD2-CG 3.69Å; F265-F384 HydrophobicContact CE1-CB 4.4Å; F265-F384 HydrophobicContact CE2-CB 4.18Å; F265-F384 AromaticContact CE2-CD2 3.5Å; F265-F384 HydrophobicContact CE2-CD2 3.5Å; F265-F384 VanDerWaalsContact CE2-CD2 3.5Å; F265-F384 HydrophobicContact CE2-CE2 4.08Å; F265-F384 AromaticContact CE2-CG 3.91Å; F265-F384 HydrophobicContact CE2-CG 3.91Å; F265-F384 HydrophobicContact CG-CB 3.77Å; F265-F384 HydrophobicContact CG-CG 4.14Å; F265-F384 HydrophobicContact CZ-CB 4.45Å; F265-F384 HydrophobicContact CZ-CD2 4.07Å
266	N	98.4	Very high	98.5	Very high	91 Å²	91	52.5 Å²	52.5	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	34.5	-178.3	-164.5	31.2	0	0	0	114.7	Y262 K263 R268 E269	Y262-N266 CarbonylContact O-C 3.55Å; Y262-N266 WeakPolarHBondContact O-CA 3.45Å; Y262-N266 PolarHBondContact O-N 3.06Å; K263-N266 PolarHBondContact O-N 2.94Å; N266-R268 PolarHBondContact O-N 3.11Å; N266-E269 PolarHBondContact O-N 3.18Å
267	L	98.8	Very high	98.5	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.2	-167.7	-55.1	175.3	0	0	0	114.5	Y262 F265 P380 K381 F384 L389	Y262-L267 HydrophobicContact CD1-CB 4.05Å; Y262-L267 HydrophobicContact CD1-CD1 4.03Å; Y262-L267 PolarHBondContact O-N 3Å; F265-L267 HydrophobicContact CB-CD1 4.34Å; F265-L267 HydrophobicContact CB-CD2 3.58Å; F265-L267 HydrophobicContact CB-CG 3.78Å; F265-L267 PolarHBondContact O-N 3.07Å; L267-P380 HydrophobicContact CB-CB 4.38Å; L267-P380 WeakPolarHBondContact O-CA 3.34Å; L267-P380 VanDerWaalsContact O-CB 3.24Å; L267-P380 WeakPolarHBondContact O-CB 3.43Å; L267-K381 HydrophobicContact CB-CB 4.24Å; L267-K381 HydrophobicContact CD2-CB 3.97Å; L267-K381 HydrophobicContact CD2-CD 4.04Å; L267-K381 HydrophobicContact CD2-CG 4.15Å; L267-K381 PolarHBondContact O-N 3.43Å; L267-F384 HydrophobicContact CD1-CD1 3.65Å; L267-F384 HydrophobicContact CD1-CE1 3.89Å; L267-F384 HydrophobicContact CD2-CB 4.43Å; L267-F384 HydrophobicContact CD2-CD1 4.11Å; L267-L389 HydrophobicContact CD1-CD1 3.73Å
268	R	98.3	Very high	98.5	Very high	50 Å²	50	52.2 Å²	52.2	19%	0.189	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.5	-176.5	-68.3	-73.5	177.3	-173.8	-7	113.9	Y262 N266 N270 C271 C378	Y262-R268 HydrophobicContact CD1-CG 4.4Å; Y262-R268 HydrophobicContact CG-CG 4.05Å; Y262-R268 PolarHBondContact OH-NH2 3.12Å; N266-R268 PolarHBondContact O-N 3.11Å; R268-N270 VanDerWaalsContact C-N 3.33Å; R268-N270 PolarHBondContact O-N 3.32Å; R268-C271 PolarHBondContact O-N 3.47Å; R268-C378 PolarHBondContact NH1-O 3.33Å
269	E	98	Very high	98.5	Very high	135 Å²	135	52.5 Å²	52.5	63%	0.631	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-44.4	-175.5	-176.2	173	-136.1	0	0	114.3	N266	N266-E269 PolarHBondContact O-N 3.18Å
270	N	98	Very high	98.5	Very high	150 Å²	150	50.1 Å²	50.1	80%	0.802	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	22.3	-171.4	-65.5	-65.5	0	0	0	113.7	R268	R268-N270 VanDerWaalsContact C-N 3.33Å; R268-N270 PolarHBondContact O-N 3.32Å
271	C	98.4	Very high	98.5	Very high	31 Å²	31	45.6 Å²	45.6	21%	0.209	22%	0.223	C	C	.	.	S	Bend	trans	-140.5	164.4	178.1	73.3	0	0	0	0	113.2	R268 Q377 I379	R268-C271 PolarHBondContact O-N 3.47Å; C271-Q377 WeakPolarHBondContact CB-O 3.47Å; C271-I379 WeakPolarHBondContact CB-O 3.49Å; C271-I379 PolarHBondContact SG-O 3.06Å
272	E	98.6	Very high	98.5	Very high	35 Å²	35	45.6 Å²	45.6	16%	0.164	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-74.4	150.7	172.3	-71.3	-174.6	-163.1	0	0	110.8	Q274 Q377 C378 K492 H493	E272-Q274 PolarHBondContact O-N 3.31Å; E272-Q377 HydrophobicContact CB-CB 4.33Å; E272-Q377 HydrophobicContact CG-CB 4.45Å; E272-Q377 PolarHBondContact N-O 3.06Å; E272-C378 WeakPolarHBondContact O-CA 3.45Å; E272-K492 WeakPolarHBondContact OE1-CA 3.44Å; E272-K492 WeakPolarHBondContact OE1-CB 3.37Å; E272-K492 WeakPolarHBondContact OE1-CD 3.11Å; E272-K492 WeakPolarHBondContact OE1-CG 3.37Å; E272-H493 IonicContact OE2-CD2 2.69Å; E272-H493 PolarHBondContact OE2-CD2 2.82Å; E272-H493 VanDerWaalsContact OE2-CD2 3.29Å; E272-H493 IonicContact OE2-CG 3.53Å; E272-H493 PolarHBondContact OE2-N 3.39Å
273	P	97.9	Very high	98.5	Very high	51 Å²	51	44.2 Å²	44.2	33%	0.331	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-58.2	136.9	170.8	26.2	-34.4	0	0	0	109.7	T275 C378 L496	P273-T275 PolarHBondContact O-N 3.2Å; P273-C378 PolarHBondContact O-SG 2.78Å; P273-L496 HydrophobicContact CB-CD2 3.67Å; P273-L496 HydrophobicContact CB-CG 4.24Å; P273-L496 HydrophobicContact CG-CD2 4.4Å; P273-L496 HydrophobicContact CG-CG 4.48Å
274	Q	98.6	Very high	98.6	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.033	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-61.7	132.8	177.6	-174.2	68.5	-100.6	0	0	110.2	E272 Y276 N372 C378 P394	E272-Q274 PolarHBondContact O-N 3.31Å; Q274-Y276 HydrophobicContact CB-CE1 4.4Å; Q274-Y276 HydrophobicContact CB-CE2 3.87Å; Q274-Y276 HydrophobicContact CG-CD1 4.17Å; Q274-Y276 HydrophobicContact CG-CD2 4.39Å; Q274-Y276 HydrophobicContact CG-CE1 3.56Å; Q274-Y276 HydrophobicContact CG-CE2 3.82Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.43Å; Q274-Y276 WeakPolarHBondContact O-CE2 3.44Å; Q274-N372 HydrophobicContact CG-CB 4.44Å; Q274-N372 PolarHBondContact NE2-ND2 3.22Å; Q274-C378 HydrophobicContact CB-CB 4.18Å; Q274-C378 PolarHBondContact NE2-O 3.23Å; Q274-P394 PolarHBondContact NE2-O 3.42Å; Q274-P394 VanDerWaalsContact NE2-O 3.11Å
275	T	98.6	Very high	98.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-103.2	155.1	168.4	62.9	0	0	0	0	109.6	P273 E373 G374 R460 H493 D497	P273-T275 PolarHBondContact O-N 3.2Å; T275-E373 PolarHBondContact O-N 2.81Å; T275-G374 PolarHBondContact O-N 3.47Å; T275-G374 VanDerWaalsContact OG1-CA 3.24Å; T275-G374 WeakPolarHBondContact OG1-CA 3.5Å; T275-G374 PolarHBondContact OG1-N 3.23Å; T275-G374 VanDerWaalsContact OG1-N 3.14Å; T275-R460 PolarHBondContact OG1-NH1 2.88Å; T275-R460 VanDerWaalsContact OG1-NH1 3.14Å; T275-H493 HydrophobicContact CG2-CB 4.03Å; T275-D497 WeakPolarHBondContact CA-OD2 3.46Å; T275-D497 WeakPolarHBondContact CB-OD1 3.19Å
276	Y	98.9	Very high	98.6	Very high	18 Å²	18	30.3 Å²	30.3	7%	0.071	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159	-165.7	-59.5	-88.2	0	0	0	111.7	C253 H254 Q274 L332 L371 D497 I599	C253-Y276 VanDerWaalsContact SG-CD1 3.55Å; H254-Y276 HydrophobicContact CB-CE1 4.04Å; H254-Y276 AromaticContact ND1-CE2 3.86Å; H254-Y276 AromaticContact ND1-CZ 3.41Å; H254-Y276 PolarHBondContact ND1-OH 3.19Å; H254-Y276 VanDerWaalsContact ND1-OH 3.07Å; Q274-Y276 HydrophobicContact CB-CE1 4.4Å; Q274-Y276 HydrophobicContact CB-CE2 3.87Å; Q274-Y276 HydrophobicContact CG-CD1 4.17Å; Q274-Y276 HydrophobicContact CG-CD2 4.39Å; Q274-Y276 HydrophobicContact CG-CE1 3.56Å; Q274-Y276 HydrophobicContact CG-CE2 3.82Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.43Å; Q274-Y276 WeakPolarHBondContact O-CE2 3.44Å; Y276-L332 WeakPolarHBondContact O-CB 3.34Å; Y276-L332 PolarHBondContact O-N 3.38Å; Y276-L371 CarbonylContact C-O 3.41Å; Y276-L371 WeakPolarHBondContact CA-O 3.36Å; Y276-L371 WeakPolarHBondContact CB-O 3.45Å; Y276-D497 PolarHBondContact N-OD2 3.38Å; Y276-I599 HydrophobicContact CD1-CD1 3.99Å; Y276-I599 HydrophobicContact CD2-CB 4.47Å; Y276-I599 HydrophobicContact CD2-CD1 4.2Å; Y276-I599 HydrophobicContact CD2-CG1 4.15Å; Y276-I599 HydrophobicContact CD2-CG2 3.46Å; Y276-I599 VanDerWaalsContact CD2-CG2 3.46Å; Y276-I599 HydrophobicContact CE1-CD1 4.38Å; Y276-I599 HydrophobicContact CE2-CG1 4.3Å; Y276-I599 HydrophobicContact CE2-CG2 4.17Å; Y276-I599 HydrophobicContact CG-CD1 3.87Å; Y276-I599 HydrophobicContact CG-CG1 4.34Å; Y276-I599 HydrophobicContact CG-CG2 3.94Å
277	A	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.4	162.6	0	0	0	0	0	110.4	V329 V330 A370 L371 E373	A277-V329 HydrophobicContact CB-CG1 3.48Å; A277-V329 VanDerWaalsContact CB-CG1 3.48Å; A277-V330 CarbonylContact C-O 3.34Å; A277-V330 VanDerWaalsContact CA-O 3.23Å; A277-V330 WeakPolarHBondContact CA-O 3.42Å; A277-V330 VanDerWaalsContact CB-O 3.26Å; A277-V330 WeakPolarHBondContact CB-O 3.36Å; A277-A370 CarbonylContact O-C 3.58Å; A277-A370 WeakPolarHBondContact O-CA 3.38Å; A277-L371 HydrophobicContact CB-CD1 4.31Å; A277-L371 HydrophobicContact CB-CD2 3.99Å; A277-L371 HydrophobicContact CB-CG 3.94Å; A277-L371 PolarHBondContact N-O 3.32Å; A277-L371 WeakPolarHBondContact O-CD2 3.08Å; A277-L371 PolarHBondContact O-N 2.8Å; A277-E373 WeakPolarHBondContact CB-OE2 3.48Å
278	I	98.9	Very high	98.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.6	162.1	-177.9	177.4	0	0	0	109.2	L280 V329 V330 L332 P341 A368 P567 T596	I278-L280 HydrophobicContact CD1-CD1 4.34Å; I278-L280 HydrophobicContact CD1-CG 4.43Å; I278-L280 HydrophobicContact CG1-CD1 4.18Å; I278-L280 HydrophobicContact CG1-CG 4.43Å; I278-L280 HydrophobicContact CG2-CD1 4.41Å; I278-V329 WeakPolarHBondContact O-CA 3.34Å; I278-V330 HydrophobicContact CG2-CB 4.33Å; I278-V330 PolarHBondContact N-O 3.32Å; I278-V330 PolarHBondContact O-N 3.37Å; I278-L332 HydrophobicContact CB-CD2 4.09Å; I278-L332 HydrophobicContact CG2-CD2 3.76Å; I278-P341 HydrophobicContact CG2-CB 3.58Å; I278-P341 HydrophobicContact CG2-CG 3.69Å; I278-A368 HydrophobicContact CD1-CB 4.46Å; I278-P567 HydrophobicContact CD1-CB 3.95Å; I278-P567 HydrophobicContact CD1-CG 3.84Å; I278-T596 HydrophobicContact CB-CG2 4.36Å; I278-T596 HydrophobicContact CD1-CG2 4.17Å
279	G	98.8	Very high	98.5	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	169	0	0	0	0	0	110	F328 A368 R369	G279-F328 WeakPolarHBondContact CA-O 3.46Å; G279-A368 CarbonylContact O-C 3.44Å; G279-A368 WeakPolarHBondContact O-CA 3.35Å; G279-A368 WeakPolarHBondContact O-CB 3.28Å; G279-R369 PolarHBondContact N-O 2.83Å; G279-R369 PolarHBondContact O-N 2.78Å
280	L	98.9	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.7	171.9	-55.8	96.7	0	0	0	108.3	I278 G327 F328 P341 F342 F345 A368 P567	I278-L280 HydrophobicContact CD1-CD1 4.34Å; I278-L280 HydrophobicContact CD1-CG 4.43Å; I278-L280 HydrophobicContact CG1-CD1 4.18Å; I278-L280 HydrophobicContact CG1-CG 4.43Å; I278-L280 HydrophobicContact CG2-CD1 4.41Å; L280-G327 CarbonylContact O-C 3.53Å; L280-G327 WeakPolarHBondContact O-CA 3.2Å; L280-F328 PolarHBondContact N-O 2.97Å; L280-F328 PolarHBondContact O-N 3.14Å; L280-P341 HydrophobicContact CD1-CB 3.85Å; L280-F342 HydrophobicContact CD2-CB 3.91Å; L280-F342 HydrophobicContact CD2-CD2 4.06Å; L280-F345 HydrophobicContact CB-CD1 3.59Å; L280-F345 HydrophobicContact CB-CE1 4.02Å; L280-F345 HydrophobicContact CB-CG 4.27Å; L280-F345 HydrophobicContact CD2-CD1 4.37Å; L280-A368 HydrophobicContact CG-CB 4.18Å; L280-P567 HydrophobicContact CD2-CB 4.1Å
281	K	98.9	Very high	98.5	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.3	-176.1	178	176.6	173.1	175	0	110.9	L119 S120 F313 L326 Y366 G367 M622	L119-K281 HydrophobicContact CD1-CB 4.27Å; L119-K281 HydrophobicContact CD2-CB 4.03Å; L119-K281 HydrophobicContact CG-CB 4.27Å; L119-K281 HydrophobicContact CG-CD 4.38Å; S120-K281 WeakPolarHBondContact O-CD 3.31Å; S120-K281 PolarHBondContact O-NZ 3.2Å; K281-F313 HydrophobicContact CB-CZ 4.24Å; K281-F313 HydrophobicContact CD-CZ 4.46Å; K281-F313 HydrophobicContact CG-CZ 4.2Å; K281-L326 CarbonylContact C-O 3.42Å; K281-L326 WeakPolarHBondContact CA-O 3.44Å; K281-Y366 CarbonylContact O-C 3.59Å; K281-Y366 WeakPolarHBondContact O-CA 3.24Å; K281-G367 PolarHBondContact N-O 3.04Å; K281-G367 PolarHBondContact O-N 2.7Å; K281-M622 HydrophobicContact CB-CE 4.15Å; K281-M622 HydrophobicContact CD-CE 4.07Å; K281-M622 WeakPolarHBondContact CD-OXT 3.33Å; K281-M622 HydrophobicContact CD-SD 4.37Å; K281-M622 WeakPolarHBondContact CE-OXT 3.44Å; K281-M622 HydrophobicContact CG-CE 3.88Å; K281-M622 PolarHBondContact NZ-OXT 2.84Å
282	E	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.3	163.9	-68.2	169.9	169.7	0	0	110	W284 L326 F345 Q346 K349 R363 A365 Y366	E282-W284 PolarHBondContact OE2-NE1 3.06Å; E282-L326 HydrophobicContact CB-CD1 4.02Å; E282-L326 PolarHBondContact N-O 3.43Å; E282-L326 PolarHBondContact O-N 2.65Å; E282-L326 VanDerWaalsContact O-N 3.11Å; E282-F345 HydrophobicContact CB-CZ 4.11Å; E282-F345 HydrophobicContact CG-CE1 3.7Å; E282-F345 HydrophobicContact CG-CZ 3.68Å; E282-Q346 PolarHBondContact OE1-NE2 3.42Å; E282-K349 VanDerWaalsContact CD-NZ 3.35Å; E282-K349 IonicContact OE1-NZ 3.84Å; E282-K349 PolarHBondContact OE1-NZ 2.76Å; E282-K349 WeakPolarHBondContact OE2-CE 3.25Å; E282-K349 IonicContact OE2-NZ 2.65Å; E282-K349 PolarHBondContact OE2-NZ 3.09Å; E282-R363 HydrophobicContact CB-CG 4.27Å; E282-R363 HydrophobicContact CG-CG 4.29Å; E282-R363 VanDerWaalsContact OE1-CD 3.29Å; E282-R363 WeakPolarHBondContact OE1-CD 3.48Å; E282-R363 IonicContact OE1-CZ 3.76Å; E282-R363 IonicContact OE1-NE 3.13Å; E282-R363 IonicContact OE1-NH1 3.3Å; E282-R363 PolarHBondContact OE1-NH1 2.63Å; E282-R363 WeakPolarHBondContact OE2-CD 3.24Å; E282-A365 WeakPolarHBondContact CA-O 3.35Å; E282-A365 WeakPolarHBondContact CB-O 3.42Å; E282-Y366 HydrophobicContact CG-CD2 3.83Å
283	L	98.8	Very high	98.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.8	163.6	-73.7	173.2	0	0	0	109.3	L317 L323 A325 I364 A365 M622	L283-L317 HydrophobicContact CD2-CD1 4.31Å; L283-L323 HydrophobicContact CB-CD1 4.26Å; L283-L323 HydrophobicContact CD2-CD1 4.32Å; L283-L323 HydrophobicContact CD2-CG 4.48Å; L283-A325 HydrophobicContact CD2-CB 3.81Å; L283-I364 HydrophobicContact CB-CD1 4.17Å; L283-I364 HydrophobicContact CB-CG1 3.73Å; L283-I364 WeakPolarHBondContact O-CG1 3.46Å; L283-I364 PolarHBondContact O-N 3.1Å; L283-A365 HydrophobicContact CB-CB 4.05Å; L283-A365 HydrophobicContact CD1-CB 4.22Å; L283-A365 HydrophobicContact CG-CB 4.42Å; L283-A365 PolarHBondContact N-O 3.11Å; L283-A365 VanDerWaalsContact N-O 3.09Å; L283-A365 PolarHBondContact O-N 3.05Å; L283-M622 HydrophobicContact CD1-SD 3.6Å; L283-M622 HydrophobicContact CG-SD 3.66Å
284	W	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.2	-174.9	-77.6	77	0	0	0	112	E282 I286 L323 V324 L326 K349 L358 Q362 R363 K518 F521	E282-W284 PolarHBondContact OE2-NE1 3.06Å; W284-I286 HydrophobicContact CB-CG2 4.34Å; W284-L323 WeakPolarHBondContact O-CA 3.45Å; W284-V324 HydrophobicContact CB-CG2 3.7Å; W284-V324 PolarHBondContact N-O 3.37Å; W284-V324 PolarHBondContact O-N 3.33Å; W284-L326 HydrophobicContact CG-CD2 4.12Å; W284-K349 HydrophobicContact CZ2-CD 4.19Å; W284-L358 HydrophobicContact CB-CD2 4.43Å; W284-L358 HydrophobicContact CD2-CD2 4.12Å; W284-L358 HydrophobicContact CE3-CB 4.39Å; W284-L358 HydrophobicContact CE3-CD2 4.25Å; W284-L358 HydrophobicContact CG-CD2 4.24Å; W284-L358 HydrophobicContact CZ2-CD1 4.33Å; W284-L358 HydrophobicContact CZ3-CB 4.21Å; W284-Q362 WeakPolarHBondContact CA-O 3.31Å; W284-R363 HydrophobicContact CD2-CB 3.91Å; W284-R363 HydrophobicContact CD2-CG 4.42Å; W284-R363 HydrophobicContact CE3-CB 4.21Å; W284-R363 HydrophobicContact CH2-CB 4.11Å; W284-R363 HydrophobicContact CZ2-CB 3.79Å; W284-R363 HydrophobicContact CZ2-CG 4.22Å; W284-R363 HydrophobicContact CZ3-CB 4.3Å; W284-K518 VanDerWaalsContact CH2-O 3.29Å; W284-K518 WeakPolarHBondContact CH2-O 3.48Å; W284-F521 AromaticContact CH2-CE2 3.66Å; W284-F521 HydrophobicContact CH2-CE2 3.66Å; W284-F521 HydrophobicContact CH2-CZ 4.12Å; W284-F521 AromaticContact CZ2-CE2 3.71Å; W284-F521 HydrophobicContact CZ2-CE2 3.71Å
285	M	98.5	Very high	98.4	Very high	42 Å²	42	35.4 Å²	35.4	21%	0.207	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.8	162.2	-69.1	-65.2	-76.2	0	0	108.6	E321 P322 L323 G361 Q362 I364	M285-E321 HydrophobicContact CE-CB 3.89Å; M285-E321 HydrophobicContact CE-CG 4.13Å; M285-E321 WeakPolarHBondContact CE-OE2 3.44Å; M285-E321 HydrophobicContact SD-CB 4.03Å; M285-P322 HydrophobicContact CE-CG 4.07Å; M285-L323 HydrophobicContact SD-CB 4.18Å; M285-L323 HydrophobicContact SD-CD1 4.03Å; M285-G361 CarbonylContact O-C 3.42Å; M285-G361 WeakPolarHBondContact O-CA 3.45Å; M285-Q362 PolarHBondContact N-O 3.41Å; M285-Q362 PolarHBondContact O-N 3.33Å; M285-I364 HydrophobicContact CG-CD1 4.27Å; M285-I364 HydrophobicContact CG-CG2 4.15Å
286	I	98.6	Very high	98.4	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.051	17%	0.165	C	C	.	.			trans	-125	169	-177.3	60.3	162.9	0	0	0	111.8	W284 E288 K290 W291 P322 V324 T357 L358	W284-I286 HydrophobicContact CB-CG2 4.34Å; I286-E288 PolarHBondContact O-N 2.86Å; I286-K290 HydrophobicContact CD1-CB 4.23Å; I286-W291 HydrophobicContact CD1-CB 4.03Å; I286-W291 HydrophobicContact CG1-CB 4.35Å; I286-P322 WeakPolarHBondContact CG1-O 3.33Å; I286-P322 PolarHBondContact N-O 3.4Å; I286-P322 WeakPolarHBondContact O-CB 3.28Å; I286-P322 WeakPolarHBondContact O-CG 3.25Å; I286-V324 HydrophobicContact CD1-CG1 3.56Å; I286-V324 HydrophobicContact CG1-CG1 4.11Å; I286-V324 HydrophobicContact CG2-CG2 3.98Å; I286-T357 HydrophobicContact CD1-CG2 4.04Å; I286-L358 HydrophobicContact CG2-CD2 4.16Å
287	D	98.1	Very high	98.4	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	17%	0.167	S	C	.	.			trans	-60	125.6	169.8	-177.8	-23.6	0	0	0	109.5	K289 K290 W291	D287-K289 PolarHBondContact O-N 3.08Å; D287-K289 VanDerWaalsContact O-N 3.08Å; D287-K289 WeakPolarHBondContact OD1-CB 3.47Å; D287-K289 WeakPolarHBondContact OD1-CG 3.13Å; D287-K289 PolarHBondContact OD1-N 3.16Å; D287-K290 HydrophobicContact CB-CD 3.99Å; D287-K290 HydrophobicContact CB-CG 4.1Å; D287-K290 WeakPolarHBondContact O-CA 3.46Å; D287-K290 WeakPolarHBondContact O-CB 3.39Å; D287-K290 PolarHBondContact O-N 3.18Å; D287-W291 PolarHBondContact O-N 3.27Å
288	E	97.4	Very high	98.3	Very high	141 Å²	141	35.9 Å²	35.9	66%	0.659	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.3	178.6	-170.1	-173.2	172.4	0	0	112.8	I286 K290 W291	I286-E288 PolarHBondContact O-N 2.86Å; E288-K290 PolarHBondContact O-N 2.87Å; E288-W291 HydrophobicContact CG-CE3 4.31Å; E288-W291 WeakPolarHBondContact O-CB 3.21Å; E288-W291 PolarHBondContact O-N 3.32Å
289	K	97.9	Very high	98.3	Very high	169 Å²	169	36 Å²	36	74%	0.735	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.3	176.7	-63	165.7	-171.5	160.3	0	112.4	D287 K292	D287-K289 PolarHBondContact O-N 3.08Å; D287-K289 VanDerWaalsContact O-N 3.08Å; D287-K289 WeakPolarHBondContact OD1-CB 3.47Å; D287-K289 WeakPolarHBondContact OD1-CG 3.13Å; D287-K289 PolarHBondContact OD1-N 3.16Å; K289-K292 PolarHBondContact O-NZ 3.1Å
290	K	97.8	Very high	98.3	Very high	56 Å²	56	36.6 Å²	36.6	24%	0.243	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-20.9	-179.2	-55.5	178	178.9	-168.1	0	112.4	I286 D287 E288 A356 T357 E359	I286-K290 HydrophobicContact CD1-CB 4.23Å; D287-K290 HydrophobicContact CB-CD 3.99Å; D287-K290 HydrophobicContact CB-CG 4.1Å; D287-K290 WeakPolarHBondContact O-CA 3.46Å; D287-K290 WeakPolarHBondContact O-CB 3.39Å; D287-K290 PolarHBondContact O-N 3.18Å; E288-K290 PolarHBondContact O-N 2.87Å; K290-A356 VanDerWaalsContact CD-O 3.25Å; K290-A356 WeakPolarHBondContact CD-O 3.33Å; K290-A356 WeakPolarHBondContact CE-O 3.41Å; K290-A356 PolarHBondContact NZ-O 3.07Å; K290-T357 WeakPolarHBondContact CD-O 3.44Å; K290-E359 PolarHBondContact NZ-O 3.37Å
291	W	98.4	Very high	98.3	Very high	39 Å²	39	37 Å²	37	15%	0.148	18%	0.176	C	C	.	.			trans	-68.6	138	178.7	-176.7	54.3	0	0	0	112.1	I286 D287 E288 P293 H316 L317 E321 P322	I286-W291 HydrophobicContact CD1-CB 4.03Å; I286-W291 HydrophobicContact CG1-CB 4.35Å; D287-W291 PolarHBondContact O-N 3.27Å; E288-W291 HydrophobicContact CG-CE3 4.31Å; E288-W291 WeakPolarHBondContact O-CB 3.21Å; E288-W291 PolarHBondContact O-N 3.32Å; W291-P293 HydrophobicContact CD2-CG 4.03Å; W291-P293 HydrophobicContact CE3-CG 4.18Å; W291-P293 HydrophobicContact CH2-CB 4.4Å; W291-P293 HydrophobicContact CH2-CG 4.05Å; W291-P293 HydrophobicContact CZ2-CB 3.84Å; W291-P293 HydrophobicContact CZ2-CG 3.88Å; W291-P293 HydrophobicContact CZ3-CG 4.18Å; W291-H316 AromaticContact CD1-ND1 3.81Å; W291-L317 VanDerWaalsContact CE2-O 3.25Å; W291-L317 WeakPolarHBondContact CZ2-O 3.3Å; W291-L317 PolarHBondContact NE1-O 3.23Å; W291-E321 VanDerWaalsContact CZ2-O 3.27Å; W291-E321 WeakPolarHBondContact CZ2-O 3.44Å; W291-P322 HydrophobicContact CB-CB 4.03Å; W291-P322 HydrophobicContact CD2-CB 3.95Å; W291-P322 HydrophobicContact CE3-CB 4.19Å; W291-P322 HydrophobicContact CG-CB 3.92Å
292	K	98.1	Very high	98.2	Very high	92 Å²	92	38.8 Å²	38.8	40%	0.4	18%	0.183	S	C	.	.			trans	-139.2	67.6	-175.5	-59.6	-66.9	158.4	-105.8	0	109.8	K289 G294 R295 H316	K289-K292 PolarHBondContact O-NZ 3.1Å; K292-G294 PolarHBondContact O-N 3.36Å; K292-R295 HydrophobicContact CB-CB 4.08Å; K292-R295 WeakPolarHBondContact O-CB 3.19Å; K292-R295 PolarHBondContact O-N 2.86Å; K292-H316 PolarHBondContact N-ND1 2.9Å; K292-H316 WeakPolarHBondContact O-CB 3.43Å
293	P	97.9	Very high	98.2	Very high	48 Å²	48	39.3 Å²	39.3	31%	0.312	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.3	-169.9	13.6	-25.6	0	0	0	113.2	T148 W291 N318	T148-P293 PolarHBondContact OG1-O 3.17Å; W291-P293 HydrophobicContact CD2-CG 4.03Å; W291-P293 HydrophobicContact CE3-CG 4.18Å; W291-P293 HydrophobicContact CH2-CB 4.4Å; W291-P293 HydrophobicContact CH2-CG 4.05Å; W291-P293 HydrophobicContact CZ2-CB 3.84Å; W291-P293 HydrophobicContact CZ2-CG 3.88Å; W291-P293 HydrophobicContact CZ3-CG 4.18Å; P293-N318 HydrophobicContact CB-CB 3.7Å
294	G	97.9	Very high	98.2	Very high	2 Å²	2	40 Å²	40	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-7.7	-174.6	0	0	0	0	0	115	P146 V147 T148 K292 H316	P146-G294 WeakPolarHBondContact O-CA 3.19Å; V147-G294 CarbonylContact C-O 3.2Å; V147-G294 WeakPolarHBondContact CA-O 3.18Å; T148-G294 PolarHBondContact N-O 3.08Å; T148-G294 WeakPolarHBondContact OG1-CA 3.23Å; T148-G294 PolarHBondContact OG1-O 2.77Å; K292-G294 PolarHBondContact O-N 3.36Å; G294-H316 PolarHBondContact N-O 3Å
295	R	98.4	Very high	98.2	Very high	49 Å²	49	44.4 Å²	44.4	19%	0.185	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135	175.3	-177.5	-174.6	-120.6	-150.7	3.4	112.5	E149 V151 K292 E297 H316	E149-R295 HydrophobicContact CB-CB 4.34Å; E149-R295 HydrophobicContact CB-CG 4.22Å; E149-R295 HydrophobicContact CG-CG 4.45Å; E149-R295 CarbonylContact O-C 3.59Å; E149-R295 WeakPolarHBondContact O-CA 3.28Å; E149-R295 IonicContact OE1-CZ 3.41Å; E149-R295 IonicContact OE1-NE 3.56Å; E149-R295 PolarHBondContact OE1-NE 3.01Å; E149-R295 IonicContact OE1-NH2 3.49Å; E149-R295 PolarHBondContact OE1-NH2 2.81Å; E149-R295 IonicContact OE2-CZ 2.94Å; E149-R295 IonicContact OE2-NE 2.96Å; E149-R295 PolarHBondContact OE2-NE 2.93Å; E149-R295 IonicContact OE2-NH2 2.66Å; E149-R295 PolarHBondContact OE2-NH2 3.44Å; V151-R295 HydrophobicContact CG2-CG 4.47Å; K292-R295 HydrophobicContact CB-CB 4.08Å; K292-R295 WeakPolarHBondContact O-CB 3.19Å; K292-R295 PolarHBondContact O-N 2.86Å; R295-E297 WeakPolarHBondContact CD-OE1 3.41Å; R295-E297 HydrophobicContact CG-CG 3.95Å; R295-E297 IonicContact CZ-OE1 3.34Å; R295-E297 IonicContact NE-OE1 2.75Å; R295-E297 VanDerWaalsContact NH1-CD 3.33Å; R295-E297 IonicContact NH1-OE1 3.32Å; R295-E297 PolarHBondContact NH1-OE1 2.89Å; R295-E297 IonicContact NH1-OE2 2.73Å; R295-H316 HydrophobicContact CB-CB 4.49Å; R295-H316 PolarHBondContact O-N 3.31Å
296	T	98.1	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.9	163.9	83.7	0	0	0	0	111.4	V147 E149 D150 V151 N173 I178 Y315	V147-T296 HydrophobicContact CG1-CG2 3.88Å; V147-T296 HydrophobicContact CG2-CG2 3.87Å; E149-T296 PolarHBondContact O-N 2.79Å; D150-T296 PolarHBondContact OD1-OG1 2.93Å; V151-T296 PolarHBondContact N-O 2.97Å; N173-T296 PolarHBondContact ND2-OG1 2.67Å; I178-T296 HydrophobicContact CD1-CG2 3.97Å; I178-T296 HydrophobicContact CG1-CG2 4.08Å; T296-Y315 HydrophobicContact CG2-CD1 3.96Å; T296-Y315 HydrophobicContact CG2-CE1 4.26Å
297	E	98	Very high	98.1	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.5	174.7	-49.4	-165.3	-139.4	0	0	110.9	V151 R295 F313 L314 H316	V151-E297 HydrophobicContact CB-CB 4.31Å; V151-E297 HydrophobicContact CB-CG 4.06Å; V151-E297 HydrophobicContact CG2-CG 4.35Å; V151-E297 CarbonylContact O-C 3.46Å; V151-E297 WeakPolarHBondContact O-CA 3.45Å; R295-E297 WeakPolarHBondContact CD-OE1 3.41Å; R295-E297 HydrophobicContact CG-CG 3.95Å; R295-E297 IonicContact CZ-OE1 3.34Å; R295-E297 IonicContact NE-OE1 2.75Å; R295-E297 VanDerWaalsContact NH1-CD 3.33Å; R295-E297 IonicContact NH1-OE1 3.32Å; R295-E297 PolarHBondContact NH1-OE1 2.89Å; R295-E297 IonicContact NH1-OE2 2.73Å; E297-F313 CarbonylContact O-C 3.56Å; E297-F313 WeakPolarHBondContact O-CA 3.24Å; E297-L314 HydrophobicContact CB-CB 4.37Å; E297-L314 PolarHBondContact N-O 3.38Å; E297-L314 PolarHBondContact O-N 3.32Å; E297-H316 IonicContact OE1-NE2 2.97Å
298	H	98.3	Very high	98.1	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.7	175	-62.9	104.2	0	0	0	110.8	V151 F152 S153 S312 Y315	V151-H298 PolarHBondContact O-N 2.81Å; F152-H298 WeakPolarHBondContact CA-O 3.33Å; F152-H298 HydrophobicContact CD2-CB 3.72Å; F152-H298 HydrophobicContact CE2-CB 4.11Å; S153-H298 PolarHBondContact N-O 3.19Å; H298-S312 WeakPolarHBondContact CA-O 2.96Å; H298-Y315 AromaticContact CE1-CE1 3.75Å; H298-Y315 AromaticContact NE2-CE1 3.41Å; H298-Y315 WeakPolarHBondContact NE2-CE1 3.33Å; H298-Y315 AromaticContact NE2-CZ 3.58Å; H298-Y315 PolarHBondContact NE2-OH 3.13Å
299	S	98.3	Very high	98.2	Very high	3 Å²	3	44 Å²	44	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.5	172.8	77.4	0	0	0	0	113.7	S153 F155 G311 S312 W348	S153-S299 VanDerWaalsContact O-CA 3.24Å; S153-S299 WeakPolarHBondContact O-CA 3.49Å; F155-S299 WeakPolarHBondContact CD2-OG 3.2Å; F155-S299 VanDerWaalsContact CE2-OG 3.27Å; F155-S299 WeakPolarHBondContact CE2-OG 3.48Å; S299-G311 CarbonylContact O-C 3.53Å; S299-G311 WeakPolarHBondContact O-CA 3.47Å; S299-S312 WeakPolarHBondContact CB-OG 3.47Å; S299-S312 PolarHBondContact N-O 3.11Å; S299-S312 PolarHBondContact N-OG 2.92Å; S299-S312 PolarHBondContact O-N 3.31Å; S299-S312 WeakPolarHBondContact OG-CB 3.41Å; S299-S312 PolarHBondContact OG-OG 3.38Å; S299-W348 PolarHBondContact OG-NE1 3.39Å
300	V	98.5	Very high	98.2	Very high	20 Å²	20	36.7 Å²	36.7	12%	0.121	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.7	174.8	-65.3	0	0	0	0	110.3	F152 S153 I154 F155 L469 M473	F152-V300 HydrophobicContact CE1-CG2 3.7Å; F152-V300 HydrophobicContact CE2-CG1 4.42Å; F152-V300 HydrophobicContact CZ-CB 4.39Å; F152-V300 HydrophobicContact CZ-CG1 3.73Å; F152-V300 HydrophobicContact CZ-CG2 3.75Å; S153-V300 PolarHBondContact O-N 2.76Å; I154-V300 CarbonylContact C-O 3.25Å; I154-V300 WeakPolarHBondContact CA-O 3.39Å; I154-V300 HydrophobicContact CG1-CG2 4.03Å; F155-V300 PolarHBondContact N-O 3.21Å; V300-L469 HydrophobicContact CB-CD1 3.95Å; V300-L469 HydrophobicContact CB-CD2 4.3Å; V300-L469 HydrophobicContact CG1-CD1 4.45Å; V300-L469 HydrophobicContact CG2-CD1 3.94Å; V300-L469 HydrophobicContact CG2-CD2 4.32Å; V300-M473 HydrophobicContact CG2-SD 4.21Å
301	G	98.1	Very high	98.2	Very high	9 Å²	9	34.6 Å²	34.6	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93	-131	-174	0	0	0	0	0	111.2	L304	G301-L304 WeakPolarHBondContact O-CB 3.16Å; G301-L304 PolarHBondContact O-N 2.86Å
302	W	98.6	Very high	98.2	Very high	40 Å²	40	33 Å²	33	15%	0.152	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.6	-173.9	-171.4	94.9	0	0	0	112.1	F155 T156 E157 R347 H351	F155-W302 HydrophobicContact CB-CB 4.18Å; F155-W302 WeakPolarHBondContact O-CB 3.17Å; F155-W302 PolarHBondContact O-N 3Å; T156-W302 VanDerWaalsContact C-CB 3.49Å; E157-W302 VanDerWaalsContact CA-CD1 3.49Å; E157-W302 HydrophobicContact CB-CG 4.33Å; E157-W302 HydrophobicContact CG-CZ2 4.31Å; W302-R347 HydrophobicContact CH2-CG 3.83Å; W302-R347 WeakPolarHBondContact CH2-O 3.38Å; W302-R347 HydrophobicContact CZ2-CG 4.02Å; W302-H351 HydrophobicContact CE3-CB 4.09Å; W302-H351 HydrophobicContact CZ3-CB 3.74Å
303	P	98.4	Very high	98.2	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.071	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-2.9	12.7	34.9	-38.8	0	0	0	116.7	F328 E344 R347 W348	P303-F328 HydrophobicContact CG-CZ 4.27Å; P303-E344 VanDerWaalsContact CB-OE2 3.28Å; P303-E344 WeakPolarHBondContact CB-OE2 3.22Å; P303-E344 HydrophobicContact CG-CB 4.18Å; P303-E344 VanDerWaalsContact CG-OE2 3.32Å; P303-E344 WeakPolarHBondContact CG-OE2 3.19Å; P303-R347 HydrophobicContact CB-CG 4.19Å; P303-R347 PolarHBondContact O-NH1 2.93Å; P303-W348 HydrophobicContact CG-CB 4.05Å
304	L	98.6	Very high	98.3	Very high	15 Å²	15	26.9 Å²	26.9	8%	0.079	13%	0.133	C	C	.	.	S	Bend	trans	-75.4	152.1	-178.5	-57.9	179.5	0	0	0	112.4	G301 T308 F328 V330 L339 E344	G301-L304 WeakPolarHBondContact O-CB 3.16Å; G301-L304 PolarHBondContact O-N 2.86Å; L304-T308 HydrophobicContact CD1-CG2 4.3Å; L304-T308 HydrophobicContact CD2-CG2 3.96Å; L304-F328 HydrophobicContact CD1-CE1 3.86Å; L304-F328 HydrophobicContact CD1-CZ 4.05Å; L304-F328 HydrophobicContact CD2-CE1 4.16Å; L304-F328 HydrophobicContact CG-CE1 3.92Å; L304-F328 HydrophobicContact CG-CZ 4.01Å; L304-V330 HydrophobicContact CD2-CG2 4.41Å; L304-L339 HydrophobicContact CD2-CD1 4.44Å; L304-E344 HydrophobicContact CD2-CB 4.34Å; L304-E344 HydrophobicContact CD2-CG 3.9Å
305	D	97.8	Very high	98.3	Very high	92 Å²	92	27 Å²	27	49%	0.492	13%	0.133	S	C	.	.			trans	-76.7	165.2	165.4	74.7	42.8	0	0	0	111.5	H307 T308	D305-H307 PolarHBondContact O-N 3.18Å; D305-H307 VanDerWaalsContact O-N 3.12Å; D305-H307 WeakPolarHBondContact OD1-CA 3.42Å; D305-H307 WeakPolarHBondContact OD1-CB 3.5Å; D305-H307 PolarHBondContact OD1-N 2.97Å; D305-T308 PolarHBondContact O-N 3.16Å; D305-T308 PolarHBondContact OD1-N 2.73Å; D305-T308 PolarHBondContact OD1-OG1 2.77Å
306	R	97.6	Very high	98.3	Very high	102 Å²	102	24.7 Å²	24.7	39%	0.385	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.5	-177.7	63.2	173.9	151.4	120.7	-3.8	115	Y466 G468 L469 Y470	R306-Y466 PolarHBondContact NH1-O 3.22Å; R306-G468 CarbonylContact O-C 3.55Å; R306-G468 VanDerWaalsContact O-CA 3.23Å; R306-G468 WeakPolarHBondContact O-CA 3.23Å; R306-L469 HydrophobicContact CB-CB 4.41Å; R306-L469 PolarHBondContact O-N 3.4Å; R306-Y470 HydrophobicContact CB-CD2 4.28Å; R306-Y470 HydrophobicContact CB-CE2 4.11Å
307	H	98.1	Very high	98.3	Very high	95 Å²	95	24.7 Å²	24.7	44%	0.44	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-9	-178	-67.1	-63.9	0	0	0	113.2	D305 Y466	D305-H307 PolarHBondContact O-N 3.18Å; D305-H307 VanDerWaalsContact O-N 3.12Å; D305-H307 WeakPolarHBondContact OD1-CA 3.42Å; D305-H307 WeakPolarHBondContact OD1-CB 3.5Å; D305-H307 PolarHBondContact OD1-N 2.97Å; H307-Y466 PolarHBondContact CE1-O 2.99Å
308	T	98.5	Very high	98.2	Very high	12 Å²	12	27 Å²	27	7%	0.074	14%	0.137	C	C	.	.	S	Bend	trans	-95	113	173.6	-56.2	0	0	0	0	108.9	L304 D305 V330 L339	L304-T308 HydrophobicContact CD1-CG2 4.3Å; L304-T308 HydrophobicContact CD2-CG2 3.96Å; D305-T308 PolarHBondContact O-N 3.16Å; D305-T308 PolarHBondContact OD1-N 2.73Å; D305-T308 PolarHBondContact OD1-OG1 2.77Å; T308-V330 HydrophobicContact CG2-CG1 4.01Å; T308-L339 HydrophobicContact CG2-CD1 3.9Å
309	Y	98.6	Very high	97.9	Very high	42 Å²	42	29 Å²	29	17%	0.165	15%	0.147	C	C	.	.			trans	-67.5	138.8	176.6	-174.2	-102.2	0	0	0	110.6	G331 E373 V399 F463	Y309-G331 PolarHBondContact O-N 2.8Å; Y309-E373 WeakPolarHBondContact CD1-OE2 3.44Å; Y309-E373 WeakPolarHBondContact CE1-OE2 3.33Å; Y309-V399 HydrophobicContact CE1-CG1 4.37Å; Y309-F463 HydrophobicContact CD2-CB 4.44Å; Y309-F463 AromaticContact CD2-CD1 3.6Å; Y309-F463 HydrophobicContact CD2-CD1 3.6Å; Y309-F463 AromaticContact CD2-CE1 3.91Å; Y309-F463 HydrophobicContact CD2-CE1 3.91Å; Y309-F463 AromaticContact CD2-CG 3.95Å; Y309-F463 HydrophobicContact CD2-CG 3.95Å; Y309-F463 AromaticContact CE2-CD1 3.89Å; Y309-F463 HydrophobicContact CE2-CD1 3.89Å; Y309-F463 HydrophobicContact CE2-CD2 4.31Å; Y309-F463 AromaticContact CE2-CE1 3.77Å; Y309-F463 HydrophobicContact CE2-CE1 3.77Å; Y309-F463 HydrophobicContact CE2-CE2 4.24Å; Y309-F463 HydrophobicContact CE2-CG 4.18Å; Y309-F463 AromaticContact CE2-CZ 3.98Å; Y309-F463 HydrophobicContact CE2-CZ 3.98Å
310	G	98	Very high	97.6	Very high	14 Å²	14	32.5 Å²	32.5	14%	0.144	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	179.7	179.7	0	0	0	0	0	113.7	V329	G310-V329 CarbonylContact C-O 3.55Å; G310-V329 WeakPolarHBondContact CA-O 3.28Å
311	G	98	Very high	97.3	Very high	12 Å²	12	36.5 Å²	36.5	12%	0.124	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-178.9	-175.6	0	0	0	0	0	112.5	S299 F328 V329	S299-G311 CarbonylContact O-C 3.53Å; S299-G311 WeakPolarHBondContact O-CA 3.47Å; G311-F328 CarbonylContact O-C 3.55Å; G311-F328 WeakPolarHBondContact O-CA 3.35Å; G311-F328 WeakPolarHBondContact O-CD2 3.3Å; G311-V329 PolarHBondContact N-O 3.05Å; G311-V329 PolarHBondContact O-N 3.14Å
312	S	98.6	Very high	97.3	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	162.5	-177.5	80.2	0	0	0	0	113.7	H298 S299 G327 W348	H298-S312 WeakPolarHBondContact CA-O 2.96Å; S299-S312 WeakPolarHBondContact CB-OG 3.47Å; S299-S312 PolarHBondContact N-O 3.11Å; S299-S312 PolarHBondContact N-OG 2.92Å; S299-S312 PolarHBondContact O-N 3.31Å; S299-S312 WeakPolarHBondContact OG-CB 3.41Å; S299-S312 PolarHBondContact OG-OG 3.38Å; S312-G327 VanDerWaalsContact CA-O 3.29Å; S312-G327 WeakPolarHBondContact CA-O 3.3Å; S312-W348 WeakPolarHBondContact OG-CZ2 3.41Å
313	F	98.7	Very high	97.3	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.7	158.4	67	-91.6	0	0	0	110.3	K281 E297 Y315 L326 G327	K281-F313 HydrophobicContact CB-CZ 4.24Å; K281-F313 HydrophobicContact CD-CZ 4.46Å; K281-F313 HydrophobicContact CG-CZ 4.2Å; E297-F313 CarbonylContact O-C 3.56Å; E297-F313 WeakPolarHBondContact O-CA 3.24Å; F313-Y315 HydrophobicContact CB-CD1 4.46Å; F313-Y315 HydrophobicContact CB-CE1 3.72Å; F313-Y315 HydrophobicContact CB-CE2 4.36Å; F313-Y315 HydrophobicContact CD2-CD2 4.14Å; F313-Y315 HydrophobicContact CD2-CE1 4.46Å; F313-Y315 AromaticContact CD2-CE2 3.93Å; F313-Y315 HydrophobicContact CD2-CE2 3.93Å; F313-Y315 HydrophobicContact CG-CE2 4.36Å; F313-L326 VanDerWaalsContact CE2-C 3.44Å; F313-L326 CarbonylContact O-C 3.47Å; F313-L326 VanDerWaalsContact O-CA 3.27Å; F313-L326 WeakPolarHBondContact O-CA 3.36Å; F313-G327 PolarHBondContact N-O 2.91Å; F313-G327 PolarHBondContact O-N 3.19Å
314	L	98.8	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	114.7	170.8	-175.4	165	0	0	0	107.8	E297 H316 V324 L326 I354 T357	E297-L314 HydrophobicContact CB-CB 4.37Å; E297-L314 PolarHBondContact N-O 3.38Å; E297-L314 PolarHBondContact O-N 3.32Å; L314-H316 VanDerWaalsContact CD2-NE2 3.35Å; L314-H316 WeakPolarHBondContact CD2-NE2 3.24Å; L314-V324 HydrophobicContact CD2-CB 4.39Å; L314-V324 HydrophobicContact CD2-CG1 4.36Å; L314-L326 HydrophobicContact CB-CB 4.12Å; L314-L326 HydrophobicContact CD1-CD2 4.4Å; L314-L326 HydrophobicContact CG-CB 4.04Å; L314-I354 HydrophobicContact CD1-CD1 4.33Å; L314-T357 HydrophobicContact CD1-CG2 4.39Å
315	Y	98.6	Very high	97.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.1	-175.3	-53.6	-27	0	0	0	110.3	G121 C123 I178 T296 H298 F313 V324 A325	G121-Y315 VanDerWaalsContact C-CE2 3.48Å; G121-Y315 WeakPolarHBondContact O-CD2 3.37Å; G121-Y315 VanDerWaalsContact O-CE2 3.29Å; G121-Y315 WeakPolarHBondContact O-CE2 3.36Å; C123-Y315 HydrophobicContact CB-CE2 4.15Å; I178-Y315 HydrophobicContact CG2-CD2 4.2Å; I178-Y315 HydrophobicContact CG2-CG 4.28Å; T296-Y315 HydrophobicContact CG2-CD1 3.96Å; T296-Y315 HydrophobicContact CG2-CE1 4.26Å; H298-Y315 AromaticContact CE1-CE1 3.75Å; H298-Y315 AromaticContact NE2-CE1 3.41Å; H298-Y315 WeakPolarHBondContact NE2-CE1 3.33Å; H298-Y315 AromaticContact NE2-CZ 3.58Å; H298-Y315 PolarHBondContact NE2-OH 3.13Å; F313-Y315 HydrophobicContact CB-CD1 4.46Å; F313-Y315 HydrophobicContact CB-CE1 3.72Å; F313-Y315 HydrophobicContact CB-CE2 4.36Å; F313-Y315 HydrophobicContact CD2-CD2 4.14Å; F313-Y315 HydrophobicContact CD2-CE1 4.46Å; F313-Y315 AromaticContact CD2-CE2 3.93Å; F313-Y315 HydrophobicContact CD2-CE2 3.93Å; F313-Y315 HydrophobicContact CG-CE2 4.36Å; Y315-V324 CarbonylContact O-C 3.59Å; Y315-V324 VanDerWaalsContact O-CA 3.27Å; Y315-V324 WeakPolarHBondContact O-CA 3.28Å; Y315-A325 PolarHBondContact N-O 3.13Å; Y315-A325 PolarHBondContact O-N 3.3Å
316	H	98.6	Very high	97.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107.3	178.5	-65.2	-109.9	0	0	0	109.7	I178 W291 K292 G294 R295 E297 L314 V324	I178-H316 WeakPolarHBondContact CD1-O 3.24Å; W291-H316 AromaticContact CD1-ND1 3.81Å; K292-H316 PolarHBondContact N-ND1 2.9Å; K292-H316 WeakPolarHBondContact O-CB 3.43Å; G294-H316 PolarHBondContact N-O 3Å; R295-H316 HydrophobicContact CB-CB 4.49Å; R295-H316 PolarHBondContact O-N 3.31Å; E297-H316 IonicContact OE1-NE2 2.97Å; L314-H316 VanDerWaalsContact CD2-NE2 3.35Å; L314-H316 WeakPolarHBondContact CD2-NE2 3.24Å; H316-V324 HydrophobicContact CB-CG1 4.44Å
317	L	98.1	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.			trans	-73.2	153.3	179.2	-76.1	155.8	0	0	0	110.7	I178 R180 L283 W291 L323 A325	I178-L317 HydrophobicContact CB-CD2 4.43Å; I178-L317 HydrophobicContact CG2-CD2 3.68Å; I178-L317 HydrophobicContact CG2-CG 4.09Å; R180-L317 HydrophobicContact CG-CD1 3.9Å; R180-L317 HydrophobicContact CG-CD2 4.12Å; L283-L317 HydrophobicContact CD2-CD1 4.31Å; W291-L317 VanDerWaalsContact CE2-O 3.25Å; W291-L317 WeakPolarHBondContact CZ2-O 3.3Å; W291-L317 PolarHBondContact NE1-O 3.23Å; L317-L323 HydrophobicContact CB-CB 4.4Å; L317-L323 HydrophobicContact CD1-CD2 3.71Å; L317-L323 HydrophobicContact CD1-CG 3.89Å; L317-L323 PolarHBondContact N-O 3.21Å; L317-A325 HydrophobicContact CD1-CB 4.02Å
318	N	95.6	Very high	97.5	Very high	69 Å²	69	21 Å²	21	37%	0.369	13%	0.13	S	C	.	.			trans	-124.6	64.4	178	-172.1	49.6	0	0	0	110.3	T145 P293	T145-N318 HydrophobicContact CG2-CB 3.64Å; T145-N318 WeakPolarHBondContact OG1-CA 3.46Å; T145-N318 WeakPolarHBondContact OG1-CB 3.45Å; T145-N318 PolarHBondContact OG1-N 3.25Å; P293-N318 HydrophobicContact CB-CB 3.7Å
319	E	92.4	Very high	97.5	Very high	51 Å²	51	21.3 Å²	21.3	24%	0.238	13%	0.132	C	C	.	.	S	Bend	trans	-120	29.7	-174.3	-61.7	-178.2	173.4	0	0	111.9	H144 R180	H144-E319 HydrophobicContact CB-CG 4.45Å; R180-E319 WeakPolarHBondContact CD-OE2 3.42Å; R180-E319 IonicContact NH1-OE2 3.17Å
320	G	90.7	Very high	97.5	Very high	75 Å²	75	19.3 Å²	19.3	77%	0.773	12%	0.124	S	C	*	.	S	Bend	trans	90.4	-12.4	178.8	0	0	0	0	0	115.7
321	E	94.1	Very high	97.5	Very high	105 Å²	105	18.6 Å²	18.6	49%	0.491	12%	0.117	S	C	.	.	S	Bend	trans	-123.3	149.1	179.9	-75.5	-177.8	-110.6	0	0	111.5	M285 W291 L323	M285-E321 HydrophobicContact CE-CB 3.89Å; M285-E321 HydrophobicContact CE-CG 4.13Å; M285-E321 WeakPolarHBondContact CE-OE2 3.44Å; M285-E321 HydrophobicContact SD-CB 4.03Å; W291-E321 VanDerWaalsContact CZ2-O 3.27Å; W291-E321 WeakPolarHBondContact CZ2-O 3.44Å; E321-L323 HydrophobicContact CB-CB 4.45Å; E321-L323 PolarHBondContact O-N 3.09Å
322	P	97.7	Very high	97.6	Very high	29 Å²	29	18 Å²	18	19%	0.188	11%	0.111	C	C	.	.			trans	-73.2	66.1	175	32.6	-37.4	0	0	0	111.7	M285 I286 W291	M285-P322 HydrophobicContact CE-CG 4.07Å; I286-P322 WeakPolarHBondContact CG1-O 3.33Å; I286-P322 PolarHBondContact N-O 3.4Å; I286-P322 WeakPolarHBondContact O-CB 3.28Å; I286-P322 WeakPolarHBondContact O-CG 3.25Å; W291-P322 HydrophobicContact CB-CB 4.03Å; W291-P322 HydrophobicContact CD2-CB 3.95Å; W291-P322 HydrophobicContact CE3-CB 4.19Å; W291-P322 HydrophobicContact CG-CB 3.92Å
323	L	98.2	Very high	97.6	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.2	-171	-177.3	65	0	0	0	110.6	L283 W284 M285 L317 E321 I364	L283-L323 HydrophobicContact CB-CD1 4.26Å; L283-L323 HydrophobicContact CD2-CD1 4.32Å; L283-L323 HydrophobicContact CD2-CG 4.48Å; W284-L323 WeakPolarHBondContact O-CA 3.45Å; M285-L323 HydrophobicContact SD-CB 4.18Å; M285-L323 HydrophobicContact SD-CD1 4.03Å; L317-L323 HydrophobicContact CB-CB 4.4Å; L317-L323 HydrophobicContact CD1-CD2 3.71Å; L317-L323 HydrophobicContact CD1-CG 3.89Å; L317-L323 PolarHBondContact N-O 3.21Å; E321-L323 HydrophobicContact CB-CB 4.45Å; E321-L323 PolarHBondContact O-N 3.09Å; L323-I364 HydrophobicContact CD1-CD1 3.84Å
324	V	98.4	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.4	169.5	-57.3	0	0	0	0	111.5	W284 I286 L314 Y315 H316 L326 L358	W284-V324 HydrophobicContact CB-CG2 3.7Å; W284-V324 PolarHBondContact N-O 3.37Å; W284-V324 PolarHBondContact O-N 3.33Å; I286-V324 HydrophobicContact CD1-CG1 3.56Å; I286-V324 HydrophobicContact CG1-CG1 4.11Å; I286-V324 HydrophobicContact CG2-CG2 3.98Å; L314-V324 HydrophobicContact CD2-CB 4.39Å; L314-V324 HydrophobicContact CD2-CG1 4.36Å; Y315-V324 CarbonylContact O-C 3.59Å; Y315-V324 VanDerWaalsContact O-CA 3.27Å; Y315-V324 WeakPolarHBondContact O-CA 3.28Å; H316-V324 HydrophobicContact CB-CG1 4.44Å; V324-L326 HydrophobicContact CG2-CD2 4.04Å; V324-L358 HydrophobicContact CG2-CD2 4.3Å
325	A	98.8	Very high	97.6	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.6	170	0	0	0	0	0	108.7	L283 Y315 L317	L283-A325 HydrophobicContact CD2-CB 3.81Å; Y315-A325 PolarHBondContact N-O 3.13Å; Y315-A325 PolarHBondContact O-N 3.3Å; L317-A325 HydrophobicContact CD1-CB 4.02Å
326	L	98.8	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.1	-175.4	62.6	80.8	0	0	0	112	K281 E282 W284 F313 L314 V324 F345 W348 K349 L358	K281-L326 CarbonylContact C-O 3.42Å; K281-L326 WeakPolarHBondContact CA-O 3.44Å; E282-L326 HydrophobicContact CB-CD1 4.02Å; E282-L326 PolarHBondContact N-O 3.43Å; E282-L326 PolarHBondContact O-N 2.65Å; E282-L326 VanDerWaalsContact O-N 3.11Å; W284-L326 HydrophobicContact CG-CD2 4.12Å; F313-L326 VanDerWaalsContact CE2-C 3.44Å; F313-L326 CarbonylContact O-C 3.47Å; F313-L326 VanDerWaalsContact O-CA 3.27Å; F313-L326 WeakPolarHBondContact O-CA 3.36Å; L314-L326 HydrophobicContact CB-CB 4.12Å; L314-L326 HydrophobicContact CD1-CD2 4.4Å; L314-L326 HydrophobicContact CG-CB 4.04Å; V324-L326 HydrophobicContact CG2-CD2 4.04Å; L326-F345 HydrophobicContact CD1-CE2 3.66Å; L326-F345 HydrophobicContact CD1-CZ 3.69Å; L326-W348 HydrophobicContact CD1-CZ3 4.33Å; L326-K349 HydrophobicContact CD1-CD 4.24Å; L326-L358 HydrophobicContact CD2-CD1 3.83Å; L326-L358 HydrophobicContact CD2-CD2 3.44Å; L326-L358 VanDerWaalsContact CD2-CD2 3.44Å; L326-L358 HydrophobicContact CD2-CG 4.23Å
327	G	98.8	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	176.7	-178.2	0	0	0	0	0	114.2	L280 S312 F313	L280-G327 CarbonylContact O-C 3.53Å; L280-G327 WeakPolarHBondContact O-CA 3.2Å; S312-G327 VanDerWaalsContact CA-O 3.29Å; S312-G327 WeakPolarHBondContact CA-O 3.3Å; F313-G327 PolarHBondContact N-O 2.91Å; F313-G327 PolarHBondContact O-N 3.19Å
328	F	98.9	Very high	97.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.5	-176.6	-151.7	-102	0	0	0	110.2	G279 L280 P303 L304 G311 V330 E344 F345 W348	G279-F328 WeakPolarHBondContact CA-O 3.46Å; L280-F328 PolarHBondContact N-O 2.97Å; L280-F328 PolarHBondContact O-N 3.14Å; P303-F328 HydrophobicContact CG-CZ 4.27Å; L304-F328 HydrophobicContact CD1-CE1 3.86Å; L304-F328 HydrophobicContact CD1-CZ 4.05Å; L304-F328 HydrophobicContact CD2-CE1 4.16Å; L304-F328 HydrophobicContact CG-CE1 3.92Å; L304-F328 HydrophobicContact CG-CZ 4.01Å; G311-F328 CarbonylContact O-C 3.55Å; G311-F328 WeakPolarHBondContact O-CA 3.35Å; G311-F328 WeakPolarHBondContact O-CD2 3.3Å; F328-V330 HydrophobicContact CD1-CG2 3.93Å; F328-V330 HydrophobicContact CE1-CG2 4.03Å; F328-E344 HydrophobicContact CD1-CB 4.48Å; F328-E344 HydrophobicContact CE1-CB 4.24Å; F328-F345 HydrophobicContact CB-CB 3.69Å; F328-F345 HydrophobicContact CB-CD2 3.6Å; F328-F345 HydrophobicContact CB-CE2 4.5Å; F328-F345 HydrophobicContact CB-CG 3.82Å; F328-F345 HydrophobicContact CG-CB 4.36Å; F328-W348 HydrophobicContact CD2-CB 3.96Å; F328-W348 AromaticContact CD2-CD1 3.95Å; F328-W348 AromaticContact CD2-CD2 3.86Å; F328-W348 HydrophobicContact CD2-CD2 3.86Å; F328-W348 HydrophobicContact CD2-CE3 4.35Å; F328-W348 AromaticContact CD2-CG 3.63Å; F328-W348 HydrophobicContact CD2-CG 3.63Å; F328-W348 HydrophobicContact CE2-CB 3.89Å; F328-W348 AromaticContact CE2-CD1 3.48Å; F328-W348 VanDerWaalsContact CE2-CD1 3.48Å; F328-W348 HydrophobicContact CE2-CD2 4.19Å; F328-W348 AromaticContact CE2-CG 3.56Å; F328-W348 HydrophobicContact CE2-CG 3.56Å
329	V	98.8	Very high	97.8	Very high	17 Å²	17	20.3 Å²	20.3	10%	0.103	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135	-178.1	178.5	0	0	0	0	108.3	A277 I278 G310 G311 L371	A277-V329 HydrophobicContact CB-CG1 3.48Å; A277-V329 VanDerWaalsContact CB-CG1 3.48Å; I278-V329 WeakPolarHBondContact O-CA 3.34Å; G310-V329 CarbonylContact C-O 3.55Å; G310-V329 WeakPolarHBondContact CA-O 3.28Å; G311-V329 PolarHBondContact N-O 3.05Å; G311-V329 PolarHBondContact O-N 3.14Å; V329-L371 HydrophobicContact CG1-CD1 4.19Å; V329-L371 HydrophobicContact CG1-CD2 4.26Å
330	V	98.9	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	172.1	-176.4	0	0	0	0	108.9	A277 I278 L304 T308 F328 L332 Y334 L339 P341	A277-V330 CarbonylContact C-O 3.34Å; A277-V330 VanDerWaalsContact CA-O 3.23Å; A277-V330 WeakPolarHBondContact CA-O 3.42Å; A277-V330 VanDerWaalsContact CB-O 3.26Å; A277-V330 WeakPolarHBondContact CB-O 3.36Å; I278-V330 HydrophobicContact CG2-CB 4.33Å; I278-V330 PolarHBondContact N-O 3.32Å; I278-V330 PolarHBondContact O-N 3.37Å; L304-V330 HydrophobicContact CD2-CG2 4.41Å; T308-V330 HydrophobicContact CG2-CG1 4.01Å; F328-V330 HydrophobicContact CD1-CG2 3.93Å; F328-V330 HydrophobicContact CE1-CG2 4.03Å; V330-L332 PolarHBondContact O-N 3.29Å; V330-Y334 HydrophobicContact CG1-CD1 4.2Å; V330-L339 HydrophobicContact CG1-CD2 4.03Å; V330-P341 HydrophobicContact CB-CB 4.1Å; V330-P341 HydrophobicContact CB-CG 4.25Å; V330-P341 HydrophobicContact CG1-CG 4.42Å; V330-P341 HydrophobicContact CG2-CB 3.9Å; V330-P341 HydrophobicContact CG2-CG 4.44Å
331	G	98.8	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	127.2	172	0	0	0	0	0	110.1	Y309 D333 Y334	Y309-G331 PolarHBondContact O-N 2.8Å; G331-D333 PolarHBondContact O-N 3.03Å; G331-D333 VanDerWaalsContact O-N 3.16Å; G331-Y334 WeakPolarHBondContact O-CD1 3.37Å; G331-Y334 PolarHBondContact O-N 3.25Å
332	L	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.5	179.6	-64.8	178.1	0	0	0	111.7	Y276 I278 V330 Y334 D497 T596 I599 K600	Y276-L332 WeakPolarHBondContact O-CB 3.34Å; Y276-L332 PolarHBondContact O-N 3.38Å; I278-L332 HydrophobicContact CB-CD2 4.09Å; I278-L332 HydrophobicContact CG2-CD2 3.76Å; V330-L332 PolarHBondContact O-N 3.29Å; L332-Y334 HydrophobicContact CD2-CE1 4.1Å; L332-Y334 PolarHBondContact O-N 2.93Å; L332-D497 HydrophobicContact CB-CB 4.03Å; L332-D497 WeakPolarHBondContact O-CB 3.26Å; L332-T596 HydrophobicContact CD1-CG2 3.93Å; L332-T596 HydrophobicContact CD2-CG2 3.72Å; L332-I599 HydrophobicContact CB-CG2 4.43Å; L332-I599 HydrophobicContact CD1-CB 4.05Å; L332-I599 HydrophobicContact CD1-CD1 4.24Å; L332-I599 HydrophobicContact CD1-CG2 3.63Å; L332-K600 HydrophobicContact CB-CD 4.37Å; L332-K600 HydrophobicContact CD2-CB 4.38Å; L332-K600 HydrophobicContact CD2-CG 4.36Å; L332-K600 WeakPolarHBondContact O-CD 3.44Å; L332-K600 WeakPolarHBondContact O-CE 3.12Å; L332-K600 PolarHBondContact O-NZ 2.84Å
333	D	98.5	Very high	98.7	Very high	19 Å²	19	12.6 Å²	12.6	10%	0.102	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.6	165.9	70.7	-30.6	0	0	0	114	G331 R460 H464 Q500	G331-D333 PolarHBondContact O-N 3.03Å; G331-D333 VanDerWaalsContact O-N 3.16Å; D333-R460 IonicContact OD1-NH2 3.36Å; D333-R460 IonicContact OD2-CZ 3.77Å; D333-R460 IonicContact OD2-NH2 2.78Å; D333-R460 PolarHBondContact OD2-NH2 3.43Å; D333-R460 VanDerWaalsContact OD2-NH2 3.13Å; D333-H464 IonicContact OD2-CE1 2.73Å; D333-H464 PolarHBondContact OD2-CE1 2.91Å; D333-H464 VanDerWaalsContact OD2-CE1 3.3Å; D333-Q500 HydrophobicContact CB-CG 4.05Å; D333-Q500 WeakPolarHBondContact O-CB 3.22Å
334	Y	98.6	Very high	98.8	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.008	6%	0.062	C	C	.	.			trans	-54.3	144.4	175.9	78.2	-97.2	0	0	0	112.4	V330 G331 L332 N336 L339 L501 F565 K600	V330-Y334 HydrophobicContact CG1-CD1 4.2Å; G331-Y334 WeakPolarHBondContact O-CD1 3.37Å; G331-Y334 PolarHBondContact O-N 3.25Å; L332-Y334 HydrophobicContact CD2-CE1 4.1Å; L332-Y334 PolarHBondContact O-N 2.93Å; Y334-N336 WeakPolarHBondContact CD2-O 3.35Å; Y334-N336 VanDerWaalsContact CE2-O 3.28Å; Y334-N336 WeakPolarHBondContact CE2-O 3.38Å; Y334-L339 HydrophobicContact CD1-CD2 4.35Å; Y334-L339 HydrophobicContact CD2-CB 3.94Å; Y334-L339 HydrophobicContact CD2-CD2 4.18Å; Y334-L339 HydrophobicContact CD2-CG 4.44Å; Y334-L339 HydrophobicContact CE2-CB 4.02Å; Y334-L339 HydrophobicContact CE2-CD2 4.33Å; Y334-L339 HydrophobicContact CG-CD2 4.21Å; Y334-L501 HydrophobicContact CD2-CD2 4.1Å; Y334-L501 HydrophobicContact CE2-CD2 3.72Å; Y334-F565 WeakPolarHBondContact OH-CB 3.44Å; Y334-K600 HydrophobicContact CE1-CD 4.27Å; Y334-K600 HydrophobicContact CE1-CG 4.17Å; Y334-K600 PolarHBondContact O-NZ 3.49Å
335	S	98.5	Very high	98.8	Very high	42 Å²	42	12.5 Å²	12.5	29%	0.294	6%	0.062	S	C	.	.			trans	-107.4	-18.9	-168.7	64	0	0	0	0	116.2	P337 Q500 K502	S335-P337 WeakPolarHBondContact O-CD 3.19Å; S335-Q500 VanDerWaalsContact CA-O 3.28Å; S335-Q500 WeakPolarHBondContact CA-O 3.36Å; S335-Q500 WeakPolarHBondContact CB-O 3.14Å; S335-K502 PolarHBondContact O-N 3.04Å
336	N	98.8	Very high	98.8	Very high	28 Å²	28	12.7 Å²	12.7	15%	0.15	6%	0.063	C	C	.	.			trans	-85.9	115.3	178.4	-174.1	-14.3	0	0	0	110.5	Y334 Y338 L339 K508	Y334-N336 WeakPolarHBondContact CD2-O 3.35Å; Y334-N336 VanDerWaalsContact CE2-O 3.28Å; Y334-N336 WeakPolarHBondContact CE2-O 3.38Å; N336-Y338 PolarHBondContact O-N 2.92Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.49Å; N336-Y338 WeakPolarHBondContact OD1-CD2 3.33Å; N336-Y338 PolarHBondContact OD1-N 3.15Å; N336-L339 WeakPolarHBondContact O-CB 3.19Å; N336-L339 PolarHBondContact O-N 3.46Å; N336-L339 VanDerWaalsContact O-N 3.1Å; N336-K508 PolarHBondContact ND2-O 3.21Å
337	P	98.8	Very high	98.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.9	-177.6	31.1	-37.2	0	0	0	114.3	S335 L339 L501 K502 A504 Y558 P561 R564	S335-P337 WeakPolarHBondContact O-CD 3.19Å; P337-L339 VanDerWaalsContact C-N 3.35Å; P337-L501 HydrophobicContact CB-CD2 4.23Å; P337-K502 WeakPolarHBondContact CG-O 3.43Å; P337-A504 HydrophobicContact CG-CB 4.03Å; P337-Y558 VanDerWaalsContact CB-O 3.31Å; P337-Y558 WeakPolarHBondContact CB-O 3.34Å; P337-P561 HydrophobicContact CB-CB 4.47Å; P337-R564 PolarHBondContact O-NH1 2.83Å
338	Y	98.9	Very high	98.8	Very high	42 Å²	42	15.3 Å²	15.3	17%	0.165	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	172.4	-60.8	-71.5	0	0	0	113.7	N336 S340 A504 C507 P509 D559 R564	N336-Y338 PolarHBondContact O-N 2.92Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.49Å; N336-Y338 WeakPolarHBondContact OD1-CD2 3.33Å; N336-Y338 PolarHBondContact OD1-N 3.15Å; Y338-S340 PolarHBondContact O-N 2.68Å; Y338-A504 HydrophobicContact CE2-CB 4.15Å; Y338-A504 WeakPolarHBondContact CE2-O 3.49Å; Y338-C507 HydrophobicContact CD2-CB 4.17Å; Y338-C507 HydrophobicContact CE2-CB 4.25Å; Y338-P509 HydrophobicContact CD1-CB 4.19Å; Y338-P509 HydrophobicContact CD1-CG 4.31Å; Y338-P509 HydrophobicContact CD2-CB 4.3Å; Y338-P509 HydrophobicContact CD2-CG 4.13Å; Y338-P509 HydrophobicContact CE1-CB 4.37Å; Y338-P509 HydrophobicContact CE1-CG 4.02Å; Y338-P509 HydrophobicContact CE2-CB 4.48Å; Y338-P509 HydrophobicContact CE2-CG 3.83Å; Y338-P509 HydrophobicContact CG-CB 4.15Å; Y338-P509 HydrophobicContact CG-CG 4.36Å; Y338-D559 HydrophobicContact CE1-CB 4.1Å; Y338-D559 VanDerWaalsContact CE1-OD2 3.25Å; Y338-D559 WeakPolarHBondContact CE1-OD2 2.89Å; Y338-R564 WeakPolarHBondContact O-CD 3.27Å
339	L	98.9	Very high	98.8	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	7%	0.072	C	C	.	.			trans	-69.1	130.5	178.7	-171.2	149.6	0	0	0	110.6	L304 T308 V330 Y334 N336 P337 P341 E344 I510	L304-L339 HydrophobicContact CD2-CD1 4.44Å; T308-L339 HydrophobicContact CG2-CD1 3.9Å; V330-L339 HydrophobicContact CG1-CD2 4.03Å; Y334-L339 HydrophobicContact CD1-CD2 4.35Å; Y334-L339 HydrophobicContact CD2-CB 3.94Å; Y334-L339 HydrophobicContact CD2-CD2 4.18Å; Y334-L339 HydrophobicContact CD2-CG 4.44Å; Y334-L339 HydrophobicContact CE2-CB 4.02Å; Y334-L339 HydrophobicContact CE2-CD2 4.33Å; Y334-L339 HydrophobicContact CG-CD2 4.21Å; N336-L339 WeakPolarHBondContact O-CB 3.19Å; N336-L339 PolarHBondContact O-N 3.46Å; N336-L339 VanDerWaalsContact O-N 3.1Å; P337-L339 VanDerWaalsContact C-N 3.35Å; L339-P341 HydrophobicContact CD2-CG 3.94Å; L339-E344 HydrophobicContact CD2-CG 4.44Å; L339-E344 HydrophobicContact CG-CG 4.31Å; L339-I510 HydrophobicContact CB-CD1 3.99Å; L339-I510 HydrophobicContact CD1-CD1 4.5Å; L339-I510 HydrophobicContact CG-CD1 4.36Å
340	S	98.9	Very high	98.8	Very high	11 Å²	11	18 Å²	18	8%	0.077	8%	0.084	C	C	.	.			trans	-117.4	111	171.5	178.9	0	0	0	0	109.9	Y338 F342 R343 E344 Y512 R564	Y338-S340 PolarHBondContact O-N 2.68Å; S340-F342 PolarHBondContact O-N 2.95Å; S340-F342 VanDerWaalsContact O-N 3.17Å; S340-R343 PolarHBondContact O-N 3.02Å; S340-E344 PolarHBondContact O-N 3.38Å; S340-Y512 PolarHBondContact N-OH 3.23Å; S340-Y512 VanDerWaalsContact N-OH 3.1Å; S340-R564 WeakPolarHBondContact CA-O 3.5Å; S340-R564 WeakPolarHBondContact CB-O 3.34Å; S340-R564 PolarHBondContact OG-O 2.66Å
341	P	98.9	Very high	98.8	Very high	1 Å²	1	18 Å²	18	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-56.6	-33	178.7	-27.9	38	0	0	0	113.1	I278 L280 V330 L339 F345	I278-P341 HydrophobicContact CG2-CB 3.58Å; I278-P341 HydrophobicContact CG2-CG 3.69Å; L280-P341 HydrophobicContact CD1-CB 3.85Å; V330-P341 HydrophobicContact CB-CB 4.1Å; V330-P341 HydrophobicContact CB-CG 4.25Å; V330-P341 HydrophobicContact CG1-CG 4.42Å; V330-P341 HydrophobicContact CG2-CB 3.9Å; V330-P341 HydrophobicContact CG2-CG 4.44Å; L339-P341 HydrophobicContact CD2-CG 3.94Å; P341-F345 WeakPolarHBondContact O-CB 3.47Å; P341-F345 PolarHBondContact O-N 3.24Å
342	F	98.9	Very high	98.8	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-47.2	171.9	176	-99.6	0	0	0	112.5	L280 S340 F345 Q346 Y366 F521 D522 L523 S526	L280-F342 HydrophobicContact CD2-CB 3.91Å; L280-F342 HydrophobicContact CD2-CD2 4.06Å; S340-F342 PolarHBondContact O-N 2.95Å; S340-F342 VanDerWaalsContact O-N 3.17Å; F342-F345 WeakPolarHBondContact O-CB 3.22Å; F342-F345 PolarHBondContact O-N 3.39Å; F342-Q346 HydrophobicContact CD1-CG 4.19Å; F342-Q346 HydrophobicContact CD2-CG 4.31Å; F342-Q346 HydrophobicContact CE1-CG 3.68Å; F342-Q346 HydrophobicContact CE2-CG 3.83Å; F342-Q346 HydrophobicContact CG-CG 4.48Å; F342-Q346 HydrophobicContact CZ-CG 3.47Å; F342-Q346 VanDerWaalsContact CZ-CG 3.47Å; F342-Q346 WeakPolarHBondContact O-CG 3.46Å; F342-Q346 PolarHBondContact O-N 3.37Å; F342-Y366 HydrophobicContact CD2-CE2 4.08Å; F342-Y366 AromaticContact CE2-CE2 3.95Å; F342-Y366 HydrophobicContact CE2-CE2 3.95Å; F342-F521 WeakPolarHBondContact CZ-O 3.43Å; F342-D522 WeakPolarHBondContact CZ-O 3.29Å; F342-L523 HydrophobicContact CB-CD1 4.43Å; F342-L523 HydrophobicContact CD1-CB 4.49Å; F342-L523 HydrophobicContact CD1-CD1 3.85Å; F342-L523 HydrophobicContact CD2-CD1 3.67Å; F342-L523 HydrophobicContact CE1-CB 4.09Å; F342-L523 HydrophobicContact CE1-CD1 3.97Å; F342-L523 HydrophobicContact CE2-CD1 3.79Å; F342-L523 HydrophobicContact CG-CD1 3.7Å; F342-L523 HydrophobicContact CZ-CB 4.36Å; F342-L523 HydrophobicContact CZ-CD1 3.95Å; F342-S526 WeakPolarHBondContact CE2-OG 3.41Å; F342-S526 WeakPolarHBondContact CZ-OG 3.48Å
343	R	98.9	Very high	98.7	Very high	80 Å²	80	25.7 Å²	25.7	30%	0.302	13%	0.125	S	C	.	.	H	α-helix	trans	-71.8	-31.5	-178.9	-58.1	-65.3	-70.4	-83.8	-0.5	112.2	S340 R347 Y512 P513	S340-R343 PolarHBondContact O-N 3.02Å; R343-R347 WeakPolarHBondContact O-CB 3.27Å; R343-R347 PolarHBondContact O-N 3.48Å; R343-Y512 HydrophobicContact CB-CD1 3.4Å; R343-Y512 HydrophobicContact CB-CD2 3.7Å; R343-Y512 HydrophobicContact CB-CE1 3.69Å; R343-Y512 HydrophobicContact CB-CE2 3.95Å; R343-Y512 HydrophobicContact CB-CG 3.41Å; R343-Y512 VanDerWaalsContact CB-CG 3.41Å; R343-Y512 HydrophobicContact CG-CD2 4.08Å; R343-Y512 HydrophobicContact CG-CG 4.08Å; R343-Y512 PolarHBondContact NH2-O 3.1Å; R343-P513 PolarHBondContact NH2-O 2.96Å
344	E	98.9	Very high	98.7	Very high	4 Å²	4	25 Å²	25	2%	0.019	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-44.5	169.1	-63.3	-57.9	168.8	0	0	111.6	P303 L304 F328 L339 S340 R347 W348 Y512	P303-E344 VanDerWaalsContact CB-OE2 3.28Å; P303-E344 WeakPolarHBondContact CB-OE2 3.22Å; P303-E344 HydrophobicContact CG-CB 4.18Å; P303-E344 VanDerWaalsContact CG-OE2 3.32Å; P303-E344 WeakPolarHBondContact CG-OE2 3.19Å; L304-E344 HydrophobicContact CD2-CB 4.34Å; L304-E344 HydrophobicContact CD2-CG 3.9Å; F328-E344 HydrophobicContact CD1-CB 4.48Å; F328-E344 HydrophobicContact CE1-CB 4.24Å; L339-E344 HydrophobicContact CD2-CG 4.44Å; L339-E344 HydrophobicContact CG-CG 4.31Å; S340-E344 PolarHBondContact O-N 3.38Å; E344-R347 PolarHBondContact O-N 2.94Å; E344-R347 IonicContact OE2-NH1 3.06Å; E344-W348 VanDerWaalsContact O-CB 3.3Å; E344-W348 WeakPolarHBondContact O-CB 3.26Å; E344-W348 PolarHBondContact O-N 3.4Å; E344-Y512 VanDerWaalsContact CD-CE1 3.45Å; E344-Y512 HydrophobicContact CG-CE1 4.1Å; E344-Y512 VanDerWaalsContact OE1-CE1 3.22Å; E344-Y512 WeakPolarHBondContact OE1-CE1 2.96Å; E344-Y512 VanDerWaalsContact OE1-CZ 3.31Å; E344-Y512 PolarHBondContact OE1-OH 3.28Å
345	F	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-47.9	175.3	174.4	-147	0	0	0	112.6	L280 E282 L326 F328 P341 F342 R347 W348 K349 Y366	L280-F345 HydrophobicContact CB-CD1 3.59Å; L280-F345 HydrophobicContact CB-CE1 4.02Å; L280-F345 HydrophobicContact CB-CG 4.27Å; L280-F345 HydrophobicContact CD2-CD1 4.37Å; E282-F345 HydrophobicContact CB-CZ 4.11Å; E282-F345 HydrophobicContact CG-CE1 3.7Å; E282-F345 HydrophobicContact CG-CZ 3.68Å; L326-F345 HydrophobicContact CD1-CE2 3.66Å; L326-F345 HydrophobicContact CD1-CZ 3.69Å; F328-F345 HydrophobicContact CB-CB 3.69Å; F328-F345 HydrophobicContact CB-CD2 3.6Å; F328-F345 HydrophobicContact CB-CE2 4.5Å; F328-F345 HydrophobicContact CB-CG 3.82Å; F328-F345 HydrophobicContact CG-CB 4.36Å; P341-F345 WeakPolarHBondContact O-CB 3.47Å; P341-F345 PolarHBondContact O-N 3.24Å; F342-F345 WeakPolarHBondContact O-CB 3.22Å; F342-F345 PolarHBondContact O-N 3.39Å; F345-R347 VanDerWaalsContact C-N 3.29Å; F345-R347 PolarHBondContact O-N 3.44Å; F345-W348 HydrophobicContact CD2-CE3 4.02Å; F345-W348 HydrophobicContact CD2-CZ3 4.45Å; F345-W348 HydrophobicContact CE2-CE3 4.18Å; F345-W348 HydrophobicContact CE2-CZ3 4.15Å; F345-W348 PolarHBondContact O-N 3.47Å; F345-K349 HydrophobicContact CE2-CD 4.16Å; F345-K349 HydrophobicContact CE2-CG 4.29Å; F345-K349 PolarHBondContact O-N 3.16Å; F345-Y366 HydrophobicContact CE1-CE2 4.43Å
346	Q	98.9	Very high	98.6	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-34	178.1	-63.8	-56.5	-43.9	0	0	112	E282 F342 K349 S520	E282-Q346 PolarHBondContact OE1-NE2 3.42Å; F342-Q346 HydrophobicContact CD1-CG 4.19Å; F342-Q346 HydrophobicContact CD2-CG 4.31Å; F342-Q346 HydrophobicContact CE1-CG 3.68Å; F342-Q346 HydrophobicContact CE2-CG 3.83Å; F342-Q346 HydrophobicContact CG-CG 4.48Å; F342-Q346 HydrophobicContact CZ-CG 3.47Å; F342-Q346 VanDerWaalsContact CZ-CG 3.47Å; F342-Q346 WeakPolarHBondContact O-CG 3.46Å; F342-Q346 PolarHBondContact O-N 3.37Å; Q346-K349 VanDerWaalsContact OE1-CE 3.29Å; Q346-S520 WeakPolarHBondContact O-CB 3.43Å
347	R	98.7	Very high	98.6	Very high	55 Å²	55	25.2 Å²	25.2	21%	0.208	13%	0.127	C	C	.	.	H	α-helix	trans	-70.9	-42.3	174.2	179.6	-177.4	-179.4	-152	2.8	112.4	W302 P303 R343 E344 F345 K349 H350	W302-R347 HydrophobicContact CH2-CG 3.83Å; W302-R347 WeakPolarHBondContact CH2-O 3.38Å; W302-R347 HydrophobicContact CZ2-CG 4.02Å; P303-R347 HydrophobicContact CB-CG 4.19Å; P303-R347 PolarHBondContact O-NH1 2.93Å; R343-R347 WeakPolarHBondContact O-CB 3.27Å; R343-R347 PolarHBondContact O-N 3.48Å; E344-R347 PolarHBondContact O-N 2.94Å; E344-R347 IonicContact OE2-NH1 3.06Å; F345-R347 VanDerWaalsContact C-N 3.29Å; F345-R347 PolarHBondContact O-N 3.44Å; R347-K349 VanDerWaalsContact C-N 3.25Å; R347-K349 PolarHBondContact O-N 2.8Å; R347-H350 WeakPolarHBondContact O-CB 3.2Å; R347-H350 PolarHBondContact O-N 3.23Å
348	W	98.8	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.2	-38.5	-179.6	166.1	81.6	0	0	0	112.3	F155 S299 P303 S312 L326 F328 E344 F345 H350 H351 I354	F155-W348 AromaticContact CD2-NE1 3.85Å; F155-W348 AromaticContact CE2-NE1 3.59Å; S299-W348 PolarHBondContact OG-NE1 3.39Å; P303-W348 HydrophobicContact CG-CB 4.05Å; S312-W348 WeakPolarHBondContact OG-CZ2 3.41Å; L326-W348 HydrophobicContact CD1-CZ3 4.33Å; F328-W348 HydrophobicContact CD2-CB 3.96Å; F328-W348 AromaticContact CD2-CD1 3.95Å; F328-W348 AromaticContact CD2-CD2 3.86Å; F328-W348 HydrophobicContact CD2-CD2 3.86Å; F328-W348 HydrophobicContact CD2-CE3 4.35Å; F328-W348 AromaticContact CD2-CG 3.63Å; F328-W348 HydrophobicContact CD2-CG 3.63Å; F328-W348 HydrophobicContact CE2-CB 3.89Å; F328-W348 AromaticContact CE2-CD1 3.48Å; F328-W348 VanDerWaalsContact CE2-CD1 3.48Å; F328-W348 HydrophobicContact CE2-CD2 4.19Å; F328-W348 AromaticContact CE2-CG 3.56Å; F328-W348 HydrophobicContact CE2-CG 3.56Å; E344-W348 VanDerWaalsContact O-CB 3.3Å; E344-W348 WeakPolarHBondContact O-CB 3.26Å; E344-W348 PolarHBondContact O-N 3.4Å; F345-W348 HydrophobicContact CD2-CE3 4.02Å; F345-W348 HydrophobicContact CD2-CZ3 4.45Å; F345-W348 HydrophobicContact CE2-CE3 4.18Å; F345-W348 HydrophobicContact CE2-CZ3 4.15Å; F345-W348 PolarHBondContact O-N 3.47Å; W348-H350 PolarHBondContact O-N 3.02Å; W348-H350 VanDerWaalsContact O-N 3.1Å; W348-H351 VanDerWaalsContact O-CB 3.31Å; W348-H351 WeakPolarHBondContact O-CB 3.47Å; W348-H351 PolarHBondContact O-N 3.36Å; W348-I354 HydrophobicContact CE3-CG2 4.41Å; W348-I354 HydrophobicContact CH2-CD1 4.06Å; W348-I354 HydrophobicContact CH2-CG1 4.16Å; W348-I354 HydrophobicContact CH2-CG2 3.68Å; W348-I354 HydrophobicContact CZ2-CB 4.4Å; W348-I354 HydrophobicContact CZ2-CD1 3.48Å; W348-I354 VanDerWaalsContact CZ2-CD1 3.48Å; W348-I354 HydrophobicContact CZ2-CG1 3.57Å; W348-I354 HydrophobicContact CZ2-CG2 3.98Å; W348-I354 HydrophobicContact CZ3-CG2 3.91Å
349	K	98.8	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.1	177.7	-70.5	-175.3	-74	169	0	114.2	E282 W284 L326 F345 Q346 R347 H351 A355 L358 I519	E282-K349 VanDerWaalsContact CD-NZ 3.35Å; E282-K349 IonicContact OE1-NZ 3.84Å; E282-K349 PolarHBondContact OE1-NZ 2.76Å; E282-K349 WeakPolarHBondContact OE2-CE 3.25Å; E282-K349 IonicContact OE2-NZ 2.65Å; E282-K349 PolarHBondContact OE2-NZ 3.09Å; W284-K349 HydrophobicContact CZ2-CD 4.19Å; L326-K349 HydrophobicContact CD1-CD 4.24Å; F345-K349 HydrophobicContact CE2-CD 4.16Å; F345-K349 HydrophobicContact CE2-CG 4.29Å; F345-K349 PolarHBondContact O-N 3.16Å; Q346-K349 VanDerWaalsContact OE1-CE 3.29Å; R347-K349 VanDerWaalsContact C-N 3.25Å; R347-K349 PolarHBondContact O-N 2.8Å; K349-H351 VanDerWaalsContact C-N 3.35Å; K349-A355 WeakPolarHBondContact O-CA 3.41Å; K349-A355 PolarHBondContact O-N 2.97Å; K349-L358 HydrophobicContact CB-CD1 4.15Å; K349-L358 HydrophobicContact CD-CD1 3.86Å; K349-L358 HydrophobicContact CG-CD1 3.94Å; K349-I519 HydrophobicContact CB-CG2 3.62Å; K349-I519 WeakPolarHBondContact CE-O 3.13Å; K349-I519 PolarHBondContact NZ-O 3.26Å; K349-I519 WeakPolarHBondContact O-CG2 3.42Å
350	H	98.7	Very high	98.4	Very high	76 Å²	76	32.3 Å²	32.3	35%	0.352	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.6	174.4	-78	-89.8	0	0	0	114.2	R347 W348 D516 S520	R347-H350 WeakPolarHBondContact O-CB 3.2Å; R347-H350 PolarHBondContact O-N 3.23Å; W348-H350 PolarHBondContact O-N 3.02Å; W348-H350 VanDerWaalsContact O-N 3.1Å; H350-D516 IonicContact CE1-OD2 3.47Å; H350-D516 PolarHBondContact CE1-OD2 2.81Å; H350-D516 IonicContact NE2-OD1 3.47Å; H350-D516 IonicContact NE2-OD2 3.87Å; H350-S520 WeakPolarHBondContact NE2-CB 3.38Å; H350-S520 PolarHBondContact NE2-OG 2.99Å
351	H	98.8	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-59.4	132.3	170.5	-176.9	-112.6	0	0	0	109.1	F155 T156 W302 W348 K349 F353 I354 A355	F155-H351 AromaticContact CD1-CE1 3.41Å; F155-H351 VanDerWaalsContact CD1-CE1 3.41Å; F155-H351 WeakPolarHBondContact CD1-CE1 3.39Å; F155-H351 AromaticContact CD1-ND1 3.93Å; F155-H351 HydrophobicContact CD2-CB 4.32Å; F155-H351 AromaticContact CD2-CE1 3.58Å; F155-H351 AromaticContact CD2-CG 3.72Å; F155-H351 AromaticContact CD2-ND1 3.31Å; F155-H351 VanDerWaalsContact CD2-ND1 3.31Å; F155-H351 WeakPolarHBondContact CD2-ND1 3.38Å; F155-H351 AromaticContact CE1-CE1 3.63Å; F155-H351 AromaticContact CE1-ND1 3.88Å; F155-H351 HydrophobicContact CE2-CB 4.42Å; F155-H351 AromaticContact CE2-CE1 3.78Å; F155-H351 AromaticContact CE2-CG 3.97Å; F155-H351 AromaticContact CE2-ND1 3.25Å; F155-H351 WeakPolarHBondContact CE2-ND1 3.49Å; F155-H351 AromaticContact CG-CE1 3.39Å; F155-H351 WeakPolarHBondContact CG-CE1 3.46Å; F155-H351 AromaticContact CG-ND1 3.66Å; F155-H351 AromaticContact CG-NE2 3.83Å; F155-H351 AromaticContact CZ-CE1 3.81Å; F155-H351 AromaticContact CZ-ND1 3.55Å; T156-H351 PolarHBondContact O-CD2 3.04Å; T156-H351 VanDerWaalsContact O-CD2 3.28Å; T156-H351 PolarHBondContact O-NE2 2.79Å; W302-H351 HydrophobicContact CE3-CB 4.09Å; W302-H351 HydrophobicContact CZ3-CB 3.74Å; W348-H351 VanDerWaalsContact O-CB 3.31Å; W348-H351 WeakPolarHBondContact O-CB 3.47Å; W348-H351 PolarHBondContact O-N 3.36Å; K349-H351 VanDerWaalsContact C-N 3.35Å; H351-F353 AromaticContact CE1-CD2 3.45Å; H351-F353 VanDerWaalsContact CE1-CD2 3.45Å; H351-F353 WeakPolarHBondContact CE1-CD2 3.34Å; H351-F353 PolarHBondContact O-N 3.11Å; H351-I354 HydrophobicContact CB-CG1 4.33Å; H351-I354 PolarHBondContact O-N 3.47Å; H351-A355 PolarHBondContact O-N 2.85Å
352	P	98.1	Very high	98.4	Very high	67 Å²	67	39.1 Å²	39.1	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-54.3	-33.9	-167.7	-30.8	36.1	0	0	0	115.2	I354 A356	P352-I354 VanDerWaalsContact C-N 3.33Å; P352-I354 PolarHBondContact O-N 2.89Å; P352-A356 VanDerWaalsContact O-CB 3.31Å; P352-A356 WeakPolarHBondContact O-CB 3.21Å; P352-A356 PolarHBondContact O-N 3.32Å; P352-A356 VanDerWaalsContact O-N 3.16Å
353	F	96.8	Very high	98.3	Very high	94 Å²	94	39.7 Å²	39.7	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-73.8	-20.5	178.9	-69.3	-96.9	0	0	0	114.1	R160 H351	R160-F353 HydrophobicContact CB-CD1 4.05Å; R160-F353 HydrophobicContact CB-CD2 3.62Å; R160-F353 HydrophobicContact CB-CE1 3.94Å; R160-F353 HydrophobicContact CB-CE2 3.51Å; R160-F353 HydrophobicContact CB-CG 3.89Å; R160-F353 HydrophobicContact CB-CZ 3.67Å; R160-F353 HydrophobicContact CG-CD1 4.47Å; R160-F353 HydrophobicContact CG-CE1 4.49Å; H351-F353 AromaticContact CE1-CD2 3.45Å; H351-F353 VanDerWaalsContact CE1-CD2 3.45Å; H351-F353 WeakPolarHBondContact CE1-CD2 3.34Å; H351-F353 PolarHBondContact O-N 3.11Å
354	I	98.4	Very high	98.3	Very high	5 Å²	5	39 Å²	39	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-96.1	-44.5	177.6	-54.4	-58.2	0	0	0	109.8	F155 L314 W348 H351 P352 A356 T357 L358	F155-I354 HydrophobicContact CE2-CD1 3.98Å; F155-I354 HydrophobicContact CE2-CG1 3.78Å; F155-I354 HydrophobicContact CZ-CD1 3.98Å; F155-I354 HydrophobicContact CZ-CG1 4.19Å; L314-I354 HydrophobicContact CD1-CD1 4.33Å; W348-I354 HydrophobicContact CE3-CG2 4.41Å; W348-I354 HydrophobicContact CH2-CD1 4.06Å; W348-I354 HydrophobicContact CH2-CG1 4.16Å; W348-I354 HydrophobicContact CH2-CG2 3.68Å; W348-I354 HydrophobicContact CZ2-CB 4.4Å; W348-I354 HydrophobicContact CZ2-CD1 3.48Å; W348-I354 VanDerWaalsContact CZ2-CD1 3.48Å; W348-I354 HydrophobicContact CZ2-CG1 3.57Å; W348-I354 HydrophobicContact CZ2-CG2 3.98Å; W348-I354 HydrophobicContact CZ3-CG2 3.91Å; H351-I354 HydrophobicContact CB-CG1 4.33Å; H351-I354 PolarHBondContact O-N 3.47Å; P352-I354 VanDerWaalsContact C-N 3.33Å; P352-I354 PolarHBondContact O-N 2.89Å; I354-A356 VanDerWaalsContact C-N 3.27Å; I354-A356 PolarHBondContact O-N 2.99Å; I354-T357 WeakPolarHBondContact O-CB 3.29Å; I354-T357 PolarHBondContact O-N 2.94Å; I354-L358 HydrophobicContact CG2-CD1 4.01Å; I354-L358 HydrophobicContact CG2-CG 4.44Å; I354-L358 PolarHBondContact O-N 2.96Å
355	A	98.3	Very high	98.3	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-52.7	-46.7	174.4	0	0	0	0	0	111.2	K349 H351 T357 L358 E359 I519	K349-A355 WeakPolarHBondContact O-CA 3.41Å; K349-A355 PolarHBondContact O-N 2.97Å; H351-A355 PolarHBondContact O-N 2.85Å; A355-T357 PolarHBondContact O-N 3.39Å; A355-T357 VanDerWaalsContact O-N 3.1Å; A355-L358 PolarHBondContact O-N 3.26Å; A355-E359 WeakPolarHBondContact O-CB 3.41Å; A355-E359 VanDerWaalsContact O-CG 3.3Å; A355-E359 WeakPolarHBondContact O-CG 3.43Å; A355-E359 PolarHBondContact O-N 2.85Å; A355-I519 HydrophobicContact CB-CD1 4.01Å
356	A	97.5	Very high	98.3	Very high	48 Å²	48	39.5 Å²	39.5	40%	0.397	23%	0.23	S	C	.	.	H	α-helix	trans	-54.2	-32.2	176.6	0	0	0	0	0	113.9	K290 P352 I354	K290-A356 VanDerWaalsContact CD-O 3.25Å; K290-A356 WeakPolarHBondContact CD-O 3.33Å; K290-A356 WeakPolarHBondContact CE-O 3.41Å; K290-A356 PolarHBondContact NZ-O 3.07Å; P352-A356 VanDerWaalsContact O-CB 3.31Å; P352-A356 WeakPolarHBondContact O-CB 3.21Å; P352-A356 PolarHBondContact O-N 3.32Å; P352-A356 VanDerWaalsContact O-N 3.16Å; I354-A356 VanDerWaalsContact C-N 3.27Å; I354-A356 PolarHBondContact O-N 2.99Å
357	T	98.1	Very high	98.3	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-77.6	-37.4	176.6	-56.9	0	0	0	0	112.2	I286 K290 L314 I354 A355	I286-T357 HydrophobicContact CD1-CG2 4.04Å; K290-T357 WeakPolarHBondContact CD-O 3.44Å; L314-T357 HydrophobicContact CD1-CG2 4.39Å; I354-T357 WeakPolarHBondContact O-CB 3.29Å; I354-T357 PolarHBondContact O-N 2.94Å; A355-T357 PolarHBondContact O-N 3.39Å; A355-T357 VanDerWaalsContact O-N 3.1Å
358	L	98.4	Very high	98.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-92.7	-18.4	-173	-54.7	-178.2	0	0	0	114.5	W284 I286 V324 L326 K349 I354 A355 G360 G361	W284-L358 HydrophobicContact CB-CD2 4.43Å; W284-L358 HydrophobicContact CD2-CD2 4.12Å; W284-L358 HydrophobicContact CE3-CB 4.39Å; W284-L358 HydrophobicContact CE3-CD2 4.25Å; W284-L358 HydrophobicContact CG-CD2 4.24Å; W284-L358 HydrophobicContact CZ2-CD1 4.33Å; W284-L358 HydrophobicContact CZ3-CB 4.21Å; I286-L358 HydrophobicContact CG2-CD2 4.16Å; V324-L358 HydrophobicContact CG2-CD2 4.3Å; L326-L358 HydrophobicContact CD2-CD1 3.83Å; L326-L358 HydrophobicContact CD2-CD2 3.44Å; L326-L358 VanDerWaalsContact CD2-CD2 3.44Å; L326-L358 HydrophobicContact CD2-CG 4.23Å; K349-L358 HydrophobicContact CB-CD1 4.15Å; K349-L358 HydrophobicContact CD-CD1 3.86Å; K349-L358 HydrophobicContact CG-CD1 3.94Å; I354-L358 HydrophobicContact CG2-CD1 4.01Å; I354-L358 HydrophobicContact CG2-CG 4.44Å; I354-L358 PolarHBondContact O-N 2.96Å; A355-L358 PolarHBondContact O-N 3.26Å; L358-G360 PolarHBondContact O-N 3.41Å; L358-G361 WeakPolarHBondContact O-CA 3.42Å; L358-G361 PolarHBondContact O-N 3.44Å
359	E	97.9	Very high	98.3	Very high	108 Å²	108	38.5 Å²	38.5	51%	0.505	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	122.2	176.2	-86.6	168.5	-164.1	0	0	111.9	K290 A355 G361 I519	K290-E359 PolarHBondContact NZ-O 3.37Å; A355-E359 WeakPolarHBondContact O-CB 3.41Å; A355-E359 VanDerWaalsContact O-CG 3.3Å; A355-E359 WeakPolarHBondContact O-CG 3.43Å; A355-E359 PolarHBondContact O-N 2.85Å; E359-G361 PolarHBondContact O-N 2.99Å; E359-I519 HydrophobicContact CG-CD1 4.11Å
360	G	97.2	Very high	98.3	Very high	88 Å²	88	38.7 Å²	38.7	91%	0.907	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	-4.8	-176.2	0	0	0	0	0	114.8	L358	L358-G360 PolarHBondContact O-N 3.41Å
361	G	98	Very high	98.3	Very high	21 Å²	21	36.5 Å²	36.5	22%	0.216	22%	0.218	C	C	.	.			trans	-79.8	170.3	173.9	0	0	0	0	0	113.7	M285 L358 E359	M285-G361 CarbonylContact O-C 3.42Å; M285-G361 WeakPolarHBondContact O-CA 3.45Å; L358-G361 WeakPolarHBondContact O-CA 3.42Å; L358-G361 PolarHBondContact O-N 3.44Å; E359-G361 PolarHBondContact O-N 2.99Å
362	Q	98.3	Very high	98.3	Very high	133 Å²	133	36.5 Å²	36.5	62%	0.621	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.9	179.2	-178.9	179.4	-2.3	0	0	110.3	W284 M285 I364	W284-Q362 WeakPolarHBondContact CA-O 3.31Å; M285-Q362 PolarHBondContact N-O 3.41Å; M285-Q362 PolarHBondContact O-N 3.33Å; Q362-I364 HydrophobicContact CG-CG2 4.13Å
363	R	98.6	Very high	98.3	Very high	18 Å²	18	33.3 Å²	33.3	7%	0.068	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.7	167.8	-172.3	176.8	67.8	154.5	7.8	109.8	E282 W284 F521 S525 S526 L529	E282-R363 HydrophobicContact CB-CG 4.27Å; E282-R363 HydrophobicContact CG-CG 4.29Å; E282-R363 VanDerWaalsContact OE1-CD 3.29Å; E282-R363 WeakPolarHBondContact OE1-CD 3.48Å; E282-R363 IonicContact OE1-CZ 3.76Å; E282-R363 IonicContact OE1-NE 3.13Å; E282-R363 IonicContact OE1-NH1 3.3Å; E282-R363 PolarHBondContact OE1-NH1 2.63Å; E282-R363 WeakPolarHBondContact OE2-CD 3.24Å; W284-R363 HydrophobicContact CD2-CB 3.91Å; W284-R363 HydrophobicContact CD2-CG 4.42Å; W284-R363 HydrophobicContact CE3-CB 4.21Å; W284-R363 HydrophobicContact CH2-CB 4.11Å; W284-R363 HydrophobicContact CZ2-CB 3.79Å; W284-R363 HydrophobicContact CZ2-CG 4.22Å; W284-R363 HydrophobicContact CZ3-CB 4.3Å; R363-F521 HydrophobicContact CB-CE2 4.08Å; R363-F521 HydrophobicContact CB-CZ 4.25Å; R363-F521 VanDerWaalsContact NH2-CB 3.33Å; R363-S525 PolarHBondContact NH2-O 2.9Å; R363-S525 PolarHBondContact NH2-OG 3.38Å; R363-S526 PolarHBondContact NH1-OG 2.69Å; R363-S526 PolarHBondContact NH2-OG 2.74Å; R363-L529 HydrophobicContact CG-CD1 3.97Å
364	I	98.3	Very high	98.3	Very high	66 Å²	66	29 Å²	29	34%	0.338	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-21.3	-175.7	62.7	167.3	0	0	0	114.4	L283 M285 L323 Q362	L283-I364 HydrophobicContact CB-CD1 4.17Å; L283-I364 HydrophobicContact CB-CG1 3.73Å; L283-I364 WeakPolarHBondContact O-CG1 3.46Å; L283-I364 PolarHBondContact O-N 3.1Å; M285-I364 HydrophobicContact CG-CD1 4.27Å; M285-I364 HydrophobicContact CG-CG2 4.15Å; L323-I364 HydrophobicContact CD1-CD1 3.84Å; Q362-I364 HydrophobicContact CG-CG2 4.13Å
365	A	98.7	Very high	98.3	Very high	15 Å²	15	29.1 Å²	29.1	12%	0.124	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.8	176.6	0	0	0	0	0	111.5	E282 L283 L529 M622	E282-A365 WeakPolarHBondContact CA-O 3.35Å; E282-A365 WeakPolarHBondContact CB-O 3.42Å; L283-A365 HydrophobicContact CB-CB 4.05Å; L283-A365 HydrophobicContact CD1-CB 4.22Å; L283-A365 HydrophobicContact CG-CB 4.42Å; L283-A365 PolarHBondContact N-O 3.11Å; L283-A365 VanDerWaalsContact N-O 3.09Å; L283-A365 PolarHBondContact O-N 3.05Å; A365-L529 WeakPolarHBondContact CA-O 3.37Å; A365-M622 HydrophobicContact CB-CE 4.29Å; A365-M622 HydrophobicContact CB-SD 3.66Å
366	Y	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.2	174.7	168.6	-95.3	0	0	0	110.7	K281 E282 F342 F345 S526 L529 S530 P567 Y619	K281-Y366 CarbonylContact O-C 3.59Å; K281-Y366 WeakPolarHBondContact O-CA 3.24Å; E282-Y366 HydrophobicContact CG-CD2 3.83Å; F342-Y366 HydrophobicContact CD2-CE2 4.08Å; F342-Y366 AromaticContact CE2-CE2 3.95Å; F342-Y366 HydrophobicContact CE2-CE2 3.95Å; F345-Y366 HydrophobicContact CE1-CE2 4.43Å; Y366-S526 WeakPolarHBondContact CB-O 3.35Å; Y366-S526 VanDerWaalsContact CD1-C 3.45Å; Y366-S526 WeakPolarHBondContact CD1-O 3.4Å; Y366-L529 PolarHBondContact N-O 2.96Å; Y366-S530 WeakPolarHBondContact O-CA 3.42Å; Y366-S530 VanDerWaalsContact O-CB 3.26Å; Y366-S530 WeakPolarHBondContact O-CB 3.4Å; Y366-P567 WeakPolarHBondContact OH-CB 3.24Å; Y366-P567 PolarHBondContact OH-O 2.95Å; Y366-Y619 WeakPolarHBondContact O-CE1 3.27Å
367	G	98.8	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	176.4	166.1	0	0	0	0	0	113.4	L119 K281 Y619	L119-G367 VanDerWaalsContact CD1-CA 3.45Å; K281-G367 PolarHBondContact N-O 3.04Å; K281-G367 PolarHBondContact O-N 2.7Å; G367-Y619 VanDerWaalsContact CA-OH 3.3Å; G367-Y619 WeakPolarHBondContact CA-OH 3.31Å
368	A	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.5	173.7	0	0	0	0	0	112.9	I278 G279 L280 P567 V592 C594 Y619	I278-A368 HydrophobicContact CD1-CB 4.46Å; G279-A368 CarbonylContact O-C 3.44Å; G279-A368 WeakPolarHBondContact O-CA 3.35Å; G279-A368 WeakPolarHBondContact O-CB 3.28Å; L280-A368 HydrophobicContact CG-CB 4.18Å; A368-P567 HydrophobicContact CB-CB 3.44Å; A368-P567 VanDerWaalsContact CB-CB 3.44Å; A368-P567 HydrophobicContact CB-CG 3.56Å; A368-V592 HydrophobicContact CB-CG2 4.37Å; A368-C594 HydrophobicContact CB-CB 4.48Å; A368-Y619 PolarHBondContact N-OH 2.77Å
369	R	98.9	Very high	98.4	Very high	39 Å²	39	28.9 Å²	28.9	15%	0.147	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.5	176.2	-158.4	76.3	-167.9	-170.5	-4.3	110.6	L119 G279 H593	L119-R369 HydrophobicContact CB-CB 4.31Å; L119-R369 HydrophobicContact CD2-CB 3.94Å; G279-R369 PolarHBondContact N-O 2.83Å; G279-R369 PolarHBondContact O-N 2.78Å; R369-H593 PolarHBondContact NH1-O 2.81Å; R369-H593 VanDerWaalsContact NH1-O 3.16Å
370	A	98.9	Very high	98.4	Very high	4 Å²	4	24 Å²	24	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	152.7	164.3	0	0	0	0	0	110.9	C253 A277 C594 I599	C253-A370 VanDerWaalsContact CB-O 3.24Å; C253-A370 WeakPolarHBondContact CB-O 3.35Å; C253-A370 PolarHBondContact SG-O 3.49Å; C253-A370 VanDerWaalsContact SG-O 3.4Å; A277-A370 CarbonylContact O-C 3.58Å; A277-A370 WeakPolarHBondContact O-CA 3.38Å; A370-C594 WeakPolarHBondContact CB-O 3.25Å; A370-C594 PolarHBondContact N-O 3.2Å; A370-I599 HydrophobicContact CB-CD1 3.64Å
371	L	98.8	Very high	98.5	Very high	30 Å²	30	25.1 Å²	25.1	16%	0.157	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.8	176.8	57.5	147.3	0	0	0	109.6	Y276 A277 V329 M397	Y276-L371 CarbonylContact C-O 3.41Å; Y276-L371 WeakPolarHBondContact CA-O 3.36Å; Y276-L371 WeakPolarHBondContact CB-O 3.45Å; A277-L371 HydrophobicContact CB-CD1 4.31Å; A277-L371 HydrophobicContact CB-CD2 3.99Å; A277-L371 HydrophobicContact CB-CG 3.94Å; A277-L371 PolarHBondContact N-O 3.32Å; A277-L371 WeakPolarHBondContact O-CD2 3.08Å; A277-L371 PolarHBondContact O-N 2.8Å; V329-L371 HydrophobicContact CG1-CD1 4.19Å; V329-L371 HydrophobicContact CG1-CD2 4.26Å; L371-M397 HydrophobicContact CB-SD 3.97Å; L371-M397 HydrophobicContact CD1-CE 3.53Å; L371-M397 HydrophobicContact CD1-SD 3.97Å
372	N	98.8	Very high	98.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.4	-177.5	-51.4	54.1	0	0	0	110	C253 Q274 C392 G395 M397	C253-N372 WeakPolarHBondContact CB-OD1 3.2Å; C253-N372 PolarHBondContact SG-OD1 3.38Å; Q274-N372 HydrophobicContact CG-CB 4.44Å; Q274-N372 PolarHBondContact NE2-ND2 3.22Å; N372-C392 PolarHBondContact ND2-O 3.43Å; N372-C392 PolarHBondContact OD1-O 2.94Å; N372-C392 VanDerWaalsContact OD1-O 3.11Å; N372-G395 WeakPolarHBondContact ND2-CA 3.24Å; N372-M397 HydrophobicContact CB-CB 4.25Å
373	E	97.9	Very high	98.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.09	C	C	.	.			trans	-131.3	4.6	173.5	67	175.8	-145.4	0	0	115.2	T275 A277 Y309 V399 R460	T275-E373 PolarHBondContact O-N 2.81Å; A277-E373 WeakPolarHBondContact CB-OE2 3.48Å; Y309-E373 WeakPolarHBondContact CD1-OE2 3.44Å; Y309-E373 WeakPolarHBondContact CE1-OE2 3.33Å; E373-V399 HydrophobicContact CB-CG1 3.65Å; E373-V399 HydrophobicContact CB-CG2 4.03Å; E373-R460 HydrophobicContact CB-CG 4.37Å; E373-R460 WeakPolarHBondContact O-CD 3.2Å; E373-R460 IonicContact OE1-CZ 3.69Å; E373-R460 IonicContact OE1-NE 3.78Å; E373-R460 PolarHBondContact OE1-NE 2.99Å; E373-R460 IonicContact OE1-NH2 2.64Å; E373-R460 PolarHBondContact OE1-NH2 2.94Å
374	G	97.7	Very high	98.6	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.021	9%	0.087	C	C	.	.			trans	-71.5	-29.2	171.2	0	0	0	0	0	113.4	T275 C378 H493	T275-G374 PolarHBondContact O-N 3.47Å; T275-G374 VanDerWaalsContact OG1-CA 3.24Å; T275-G374 WeakPolarHBondContact OG1-CA 3.5Å; T275-G374 PolarHBondContact OG1-N 3.23Å; T275-G374 VanDerWaalsContact OG1-N 3.14Å; G374-C378 WeakPolarHBondContact CA-SG 3.37Å; G374-H493 WeakPolarHBondContact CA-NE2 3.32Å; G374-H493 PolarHBondContact O-CE1 2.93Å; G374-H493 PolarHBondContact O-NE2 3.18Å
375	G	97.4	Very high	98.6	Very high	9 Å²	9	15.9 Å²	15.9	9%	0.093	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	60.6	-140.8	175.5	0	0	0	0	0	113.2	Q377 C378	G375-Q377 PolarHBondContact O-N 3.04Å; G375-C378 PolarHBondContact O-N 3.46Å; G375-C378 VanDerWaalsContact O-N 3.09Å
376	F	98.7	Very high	98.6	Very high	40 Å²	40	15.1 Å²	15.1	18%	0.175	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-55.2	-44.2	-170.6	-174	-92.4	0	0	0	114	C378 I379 W450 L453 H454 R457	F376-C378 PolarHBondContact O-N 2.82Å; F376-C378 VanDerWaalsContact O-N 3.13Å; F376-I379 HydrophobicContact CD2-CD1 4.31Å; F376-I379 PolarHBondContact O-N 2.89Å; F376-W450 AromaticContact CE2-CD2 3.74Å; F376-W450 HydrophobicContact CE2-CD2 3.74Å; F376-W450 AromaticContact CE2-CE2 3.43Å; F376-W450 VanDerWaalsContact CE2-CE2 3.43Å; F376-W450 HydrophobicContact CE2-CE3 4.39Å; F376-W450 HydrophobicContact CE2-CG 4.08Å; F376-W450 HydrophobicContact CE2-CH2 4.47Å; F376-W450 AromaticContact CE2-CZ2 3.83Å; F376-W450 HydrophobicContact CE2-CZ2 3.83Å; F376-W450 AromaticContact CE2-NE1 3.62Å; F376-W450 HydrophobicContact CZ-CD2 4.46Å; F376-W450 AromaticContact CZ-CE2 3.7Å; F376-W450 AromaticContact CZ-CZ2 3.82Å; F376-W450 HydrophobicContact CZ-CZ2 3.82Å; F376-W450 AromaticContact CZ-NE1 3.74Å; F376-L453 HydrophobicContact CB-CB 4.33Å; F376-L453 HydrophobicContact CD2-CB 4.1Å; F376-H454 HydrophobicContact CD2-CB 3.91Å; F376-H454 AromaticContact CE1-CD2 3.81Å; F376-H454 HydrophobicContact CE2-CB 3.76Å; F376-H454 HydrophobicContact CZ-CB 4.29Å; F376-H454 AromaticContact CZ-CD2 3.68Å; F376-R457 HydrophobicContact CB-CB 3.73Å; F376-R457 HydrophobicContact CD1-CB 4.43Å; F376-R457 HydrophobicContact CG-CB 4.28Å
377	Q	98.7	Very high	98.6	Very high	18 Å²	18	15.2 Å²	15.2	8%	0.084	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22	-178.7	-64.6	89.9	-47.3	0	0	113.2	C271 E272 G375 R457 T490 L491	C271-Q377 WeakPolarHBondContact CB-O 3.47Å; E272-Q377 HydrophobicContact CB-CB 4.33Å; E272-Q377 HydrophobicContact CG-CB 4.45Å; E272-Q377 PolarHBondContact N-O 3.06Å; G375-Q377 PolarHBondContact O-N 3.04Å; Q377-R457 PolarHBondContact NE2-O 3.18Å; Q377-R457 PolarHBondContact OE1-O 2.94Å; Q377-T490 HydrophobicContact CG-CG2 3.52Å; Q377-L491 PolarHBondContact NE2-O 3.19Å
378	C	98.6	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-110.3	17.2	-171.6	-56.1	0	0	0	0	112.9	R268 E272 P273 Q274 G374 G375 F376 P380	R268-C378 PolarHBondContact NH1-O 3.33Å; E272-C378 WeakPolarHBondContact O-CA 3.45Å; P273-C378 PolarHBondContact O-SG 2.78Å; Q274-C378 HydrophobicContact CB-CB 4.18Å; Q274-C378 PolarHBondContact NE2-O 3.23Å; G374-C378 WeakPolarHBondContact CA-SG 3.37Å; G375-C378 PolarHBondContact O-N 3.46Å; G375-C378 VanDerWaalsContact O-N 3.09Å; F376-C378 PolarHBondContact O-N 2.82Å; F376-C378 VanDerWaalsContact O-N 3.13Å; C378-P380 WeakPolarHBondContact O-CD 3.32Å
379	I	98.8	Very high	98.5	Very high	14 Å²	14	15.2 Å²	15.2	7%	0.072	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-76.8	120	172.5	-60.2	173.7	0	0	0	108.2	C271 F376 L382 F396 W450 L453	C271-I379 WeakPolarHBondContact CB-O 3.49Å; C271-I379 PolarHBondContact SG-O 3.06Å; F376-I379 HydrophobicContact CD2-CD1 4.31Å; F376-I379 PolarHBondContact O-N 2.89Å; I379-L382 HydrophobicContact CG2-CD2 4.06Å; I379-L382 HydrophobicContact CG2-CG 4.46Å; I379-F396 HydrophobicContact CD1-CD1 4.19Å; I379-F396 HydrophobicContact CD1-CE1 4.3Å; I379-F396 HydrophobicContact CG1-CD1 4.41Å; I379-F396 HydrophobicContact CG1-CE1 4.39Å; I379-F396 HydrophobicContact CG2-CE1 3.88Å; I379-W450 HydrophobicContact CD1-CE3 4.12Å; I379-W450 HydrophobicContact CD1-CH2 4.3Å; I379-W450 HydrophobicContact CD1-CZ3 3.7Å; I379-W450 HydrophobicContact CG2-CH2 4.39Å; I379-W450 HydrophobicContact CG2-CZ3 4.05Å; I379-L453 HydrophobicContact CD1-CD1 4Å
380	P	98.7	Very high	98.5	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.039	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-77.1	173.5	175.7	33.7	-34.3	0	0	0	111.7	Y262 L267 C378 L382 P394	Y262-P380 HydrophobicContact CD1-CB 4.36Å; Y262-P380 HydrophobicContact CE1-CB 4.09Å; Y262-P380 HydrophobicContact CE1-CG 3.77Å; L267-P380 HydrophobicContact CB-CB 4.38Å; L267-P380 WeakPolarHBondContact O-CA 3.34Å; L267-P380 VanDerWaalsContact O-CB 3.24Å; L267-P380 WeakPolarHBondContact O-CB 3.43Å; C378-P380 WeakPolarHBondContact O-CD 3.32Å; P380-L382 HydrophobicContact CG-CD2 4.25Å; P380-L382 WeakPolarHBondContact O-CD2 3.23Å; P380-L382 WeakPolarHBondContact O-CG 3.26Å; P380-L382 PolarHBondContact O-N 3.04Å; P380-P394 HydrophobicContact CG-CB 3.79Å
381	K	98.8	Very high	98.5	Very high	111 Å²	111	13.2 Å²	13.2	48%	0.483	7%	0.068	S	C	.	.	P	Polyproline II helix	trans	-56.1	130.9	157.5	-173.9	-178.6	-178.1	-172.6	0	108.6	L267 T383	L267-K381 HydrophobicContact CB-CB 4.24Å; L267-K381 HydrophobicContact CD2-CB 3.97Å; L267-K381 HydrophobicContact CD2-CD 4.04Å; L267-K381 HydrophobicContact CD2-CG 4.15Å; L267-K381 PolarHBondContact O-N 3.43Å; K381-T383 VanDerWaalsContact CE-O 3.22Å; K381-T383 WeakPolarHBondContact CE-O 3.37Å
382	L	98.8	Very high	98.5	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.07	C	C	.	.			trans	-97.6	-10.8	-168.8	-57.9	176	0	0	0	113.9	I379 P380 L388 L389 P394 F396 Y440 L444	I379-L382 HydrophobicContact CG2-CD2 4.06Å; I379-L382 HydrophobicContact CG2-CG 4.46Å; P380-L382 HydrophobicContact CG-CD2 4.25Å; P380-L382 WeakPolarHBondContact O-CD2 3.23Å; P380-L382 WeakPolarHBondContact O-CG 3.26Å; P380-L382 PolarHBondContact O-N 3.04Å; L382-L388 CarbonylContact O-C 3.15Å; L382-L388 WeakPolarHBondContact O-CA 3.14Å; L382-L389 PolarHBondContact O-N 3.37Å; L382-P394 HydrophobicContact CD2-CB 3.38Å; L382-P394 HydrophobicContact CD2-CG 3.91Å; L382-F396 HydrophobicContact CD1-CE1 4.2Å; L382-F396 HydrophobicContact CD1-CZ 3.74Å; L382-F396 HydrophobicContact CD2-CE1 4.2Å; L382-F396 HydrophobicContact CD2-CZ 3.73Å; L382-F396 HydrophobicContact CG-CZ 4.41Å; L382-Y440 HydrophobicContact CB-CD1 4.12Å; L382-Y440 HydrophobicContact CB-CE1 3.86Å; L382-Y440 HydrophobicContact CD1-CE1 3.98Å; L382-L444 HydrophobicContact CD1-CD2 3.39Å
383	T	98.7	Very high	98.5	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.025	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142	-167.4	70.6	0	0	0	0	110.7	K381 L388 H436 I437 Y440 S441	K381-T383 VanDerWaalsContact CE-O 3.22Å; K381-T383 WeakPolarHBondContact CE-O 3.37Å; T383-L388 HydrophobicContact CG2-CD2 3.55Å; T383-H436 WeakPolarHBondContact CB-NE2 3.33Å; T383-H436 PolarHBondContact OG1-NE2 3.29Å; T383-I437 VanDerWaalsContact CG2-O 3.3Å; T383-I437 WeakPolarHBondContact CG2-O 3.43Å; T383-Y440 HydrophobicContact CG2-CD1 4Å; T383-S441 WeakPolarHBondContact CG2-OG 3.44Å
384	F	98.6	Very high	98.6	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.9	175.7	44.3	-91.2	0	0	0	109.4	V216 F249 L261 F265 L267 G386 G387 L389 H436	V216-F384 HydrophobicContact CB-CE2 4.49Å; V216-F384 HydrophobicContact CG2-CD2 4.06Å; V216-F384 HydrophobicContact CG2-CE2 3.77Å; F249-F384 HydrophobicContact CD2-CE2 4.43Å; F249-F384 AromaticContact CD2-CZ 3.83Å; F249-F384 HydrophobicContact CD2-CZ 3.83Å; F249-F384 HydrophobicContact CE2-CE2 4.1Å; F249-F384 AromaticContact CE2-CZ 3.94Å; F249-F384 HydrophobicContact CE2-CZ 3.94Å; L261-F384 HydrophobicContact CD1-CZ 3.91Å; L261-F384 HydrophobicContact CD2-CE2 3.95Å; L261-F384 HydrophobicContact CD2-CZ 4.04Å; L261-F384 HydrophobicContact CG-CZ 4.41Å; F265-F384 HydrophobicContact CB-CB 4.17Å; F265-F384 HydrophobicContact CD1-CB 4.06Å; F265-F384 HydrophobicContact CD2-CB 3.84Å; F265-F384 HydrophobicContact CD2-CD1 4.26Å; F265-F384 AromaticContact CD2-CD2 3.78Å; F265-F384 HydrophobicContact CD2-CD2 3.78Å; F265-F384 HydrophobicContact CD2-CE2 4.44Å; F265-F384 AromaticContact CD2-CG 3.69Å; F265-F384 HydrophobicContact CD2-CG 3.69Å; F265-F384 HydrophobicContact CE1-CB 4.4Å; F265-F384 HydrophobicContact CE2-CB 4.18Å; F265-F384 AromaticContact CE2-CD2 3.5Å; F265-F384 HydrophobicContact CE2-CD2 3.5Å; F265-F384 VanDerWaalsContact CE2-CD2 3.5Å; F265-F384 HydrophobicContact CE2-CE2 4.08Å; F265-F384 AromaticContact CE2-CG 3.91Å; F265-F384 HydrophobicContact CE2-CG 3.91Å; F265-F384 HydrophobicContact CG-CB 3.77Å; F265-F384 HydrophobicContact CG-CG 4.14Å; F265-F384 HydrophobicContact CZ-CB 4.45Å; F265-F384 HydrophobicContact CZ-CD2 4.07Å; L267-F384 HydrophobicContact CD1-CD1 3.65Å; L267-F384 HydrophobicContact CD1-CE1 3.89Å; L267-F384 HydrophobicContact CD2-CB 4.43Å; L267-F384 HydrophobicContact CD2-CD1 4.11Å; F384-G386 PolarHBondContact O-N 3.17Å; F384-G386 VanDerWaalsContact O-N 3.16Å; F384-G387 PolarHBondContact N-O 3.16Å; F384-G387 PolarHBondContact O-N 2.82Å; F384-L389 HydrophobicContact CE1-CD1 3.96Å; F384-L389 HydrophobicContact CE1-CG 4.02Å; F384-H436 PolarHBondContact O-CD2 3.02Å
385	P	98.4	Very high	98.5	Very high	34 Å²	34	13 Å²	13	22%	0.221	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	119.3	174.2	-31	39.4	0	0	0	112.3	S215 V216 T432	S215-P385 VanDerWaalsContact CB-CB 3.42Å; V216-P385 PolarHBondContact N-O 3.13Å; P385-T432 HydrophobicContact CB-CG2 4.1Å; P385-T432 HydrophobicContact CG-CG2 4.39Å
386	G	98.3	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.7	-179	0	0	0	0	0	116.2	V216 T247 F384 G434 L435	V216-G386 WeakPolarHBondContact O-CA 3.45Å; T247-G386 PolarHBondContact N-O 3.09Å; F384-G386 PolarHBondContact O-N 3.17Å; F384-G386 VanDerWaalsContact O-N 3.16Å; G386-G434 VanDerWaalsContact N-C 3.33Å; G386-G434 PolarHBondContact N-O 2.82Å; G386-G434 VanDerWaalsContact N-O 3.16Å; G386-L435 WeakPolarHBondContact CA-O 3.25Å; G386-L435 PolarHBondContact N-O 3.09Å
387	G	98.5	Very high	98.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	167.5	179.2	0	0	0	0	0	119.8	T247 F384	T247-G387 CarbonylContact O-C 3.52Å; T247-G387 WeakPolarHBondContact O-CA 3.3Å; F384-G387 PolarHBondContact N-O 3.16Å; F384-G387 PolarHBondContact O-N 2.82Å
388	L	98.6	Very high	98.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.1	-170.5	-59.2	172.6	0	0	0	111.6	V246 T247 F249 L382 T383 I419 I437 Y440	V246-L388 HydrophobicContact CG2-CD1 4.26Å; V246-L388 HydrophobicContact CG2-CG 4.22Å; T247-L388 PolarHBondContact O-N 3.32Å; F249-L388 PolarHBondContact N-O 3.33Å; L382-L388 CarbonylContact O-C 3.15Å; L382-L388 WeakPolarHBondContact O-CA 3.14Å; T383-L388 HydrophobicContact CG2-CD2 3.55Å; L388-I419 HydrophobicContact CD1-CD1 3.75Å; L388-I419 HydrophobicContact CD1-CG1 3.56Å; L388-I437 HydrophobicContact CD1-CB 4.45Å; L388-I437 HydrophobicContact CD1-CD1 4.12Å; L388-I437 HydrophobicContact CD2-CB 4.23Å; L388-Y440 HydrophobicContact CD2-CD1 4.09Å
389	L	98.9	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.6	178.5	-76.1	156.4	0	0	0	111.5	F249 A258 Y262 L267 L382 F384 P394 Y440	F249-L389 HydrophobicContact CB-CD2 3.91Å; A258-L389 HydrophobicContact CB-CD2 3.75Å; Y262-L389 HydrophobicContact CD1-CD1 4.3Å; Y262-L389 HydrophobicContact CE1-CD1 3.69Å; Y262-L389 HydrophobicContact CE1-CD2 4.4Å; L267-L389 HydrophobicContact CD1-CD1 3.73Å; L382-L389 PolarHBondContact O-N 3.37Å; F384-L389 HydrophobicContact CE1-CD1 3.96Å; F384-L389 HydrophobicContact CE1-CG 4.02Å; L389-P394 HydrophobicContact CB-CB 4.26Å; L389-P394 HydrophobicContact CB-CG 4.15Å; L389-Y440 WeakPolarHBondContact O-CE1 3.33Å
390	I	98.9	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.			trans	-128.9	158.4	-177.2	67.8	170	0	0	0	113.8	A84 A88 V248 F249 P394 A415 Y440	A84-I390 HydrophobicContact CB-CB 4.49Å; A84-I390 HydrophobicContact CB-CD1 3.81Å; A84-I390 HydrophobicContact CB-CG1 3.94Å; A84-I390 WeakPolarHBondContact O-CD1 3.39Å; A88-I390 HydrophobicContact CB-CD1 4.03Å; V248-I390 HydrophobicContact CG1-CD1 3.51Å; V248-I390 HydrophobicContact CG1-CG1 3.79Å; V248-I390 HydrophobicContact CG1-CG2 3.94Å; F249-I390 PolarHBondContact O-N 3.4Å; I390-P394 VanDerWaalsContact O-CD 3.23Å; I390-P394 WeakPolarHBondContact O-CD 3.48Å; I390-A415 HydrophobicContact CG2-CB 3.76Å; I390-Y440 HydrophobicContact CG2-CE1 4.32Å
391	G	98.7	Very high	97.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-141.7	173.7	0	0	0	0	0	115.6	S393 P394 G395 F396 S411	G391-S393 PolarHBondContact O-N 3.38Å; G391-P394 WeakPolarHBondContact O-CD 3.33Å; G391-P394 WeakPolarHBondContact O-CG 3.46Å; G391-G395 PolarHBondContact O-N 3.26Å; G391-F396 VanDerWaalsContact O-CD2 3.24Å; G391-F396 WeakPolarHBondContact O-CD2 3.12Å; G391-F396 PolarHBondContact O-N 2.87Å; G391-S411 PolarHBondContact N-OG 2.87Å
392	C	98.6	Very high	97.8	Very high	29 Å²	29	9.6 Å²	9.6	20%	0.196	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.6	179.1	-65	0	0	0	0	113.8	C253 N372	C253-C392 WeakPolarHBondContact CA-O 3.33Å; C253-C392 HydrophobicContact CB-CB 4.47Å; N372-C392 PolarHBondContact ND2-O 3.43Å; N372-C392 PolarHBondContact OD1-O 2.94Å; N372-C392 VanDerWaalsContact OD1-O 3.11Å
393	S	98.7	Very high	97.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-64	170.9	176.1	0	0	0	0	110.8	G252 A258 Y262 G391	G252-S393 WeakPolarHBondContact O-CA 3.13Å; G252-S393 PolarHBondContact O-N 3.28Å; A258-S393 WeakPolarHBondContact CB-OG 3.41Å; Y262-S393 PolarHBondContact OH-O 2.66Å; G391-S393 PolarHBondContact O-N 3.38Å
394	P	98.5	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-42.5	169.2	27.8	-33.8	0	0	0	111.9	Q274 P380 L382 L389 I390 G391 F396	Q274-P394 PolarHBondContact NE2-O 3.42Å; Q274-P394 VanDerWaalsContact NE2-O 3.11Å; P380-P394 HydrophobicContact CG-CB 3.79Å; L382-P394 HydrophobicContact CD2-CB 3.38Å; L382-P394 HydrophobicContact CD2-CG 3.91Å; L389-P394 HydrophobicContact CB-CB 4.26Å; L389-P394 HydrophobicContact CB-CG 4.15Å; I390-P394 VanDerWaalsContact O-CD 3.23Å; I390-P394 WeakPolarHBondContact O-CD 3.48Å; G391-P394 WeakPolarHBondContact O-CD 3.33Å; G391-P394 WeakPolarHBondContact O-CG 3.46Å; P394-F396 HydrophobicContact CB-CE1 4.41Å; P394-F396 HydrophobicContact CB-CE2 4.49Å; P394-F396 HydrophobicContact CB-CZ 4.04Å; P394-F396 HydrophobicContact CG-CD2 4.19Å; P394-F396 HydrophobicContact CG-CE1 4.22Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.49Å; P394-F396 VanDerWaalsContact CG-CZ 3.49Å
395	G	97.3	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.7	59.1	165.1	0	0	0	0	0	116.5	N372 G391 M397	N372-G395 WeakPolarHBondContact ND2-CA 3.24Å; G391-G395 PolarHBondContact O-N 3.26Å; G395-M397 PolarHBondContact O-N 3.33Å
396	F	98.4	Very high	97.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.			trans	-80.4	34.4	-179.7	-51.4	-50.7	0	0	0	115.2	I379 L382 G391 P394 T407 L444 V449 L453	I379-F396 HydrophobicContact CD1-CD1 4.19Å; I379-F396 HydrophobicContact CD1-CE1 4.3Å; I379-F396 HydrophobicContact CG1-CD1 4.41Å; I379-F396 HydrophobicContact CG1-CE1 4.39Å; I379-F396 HydrophobicContact CG2-CE1 3.88Å; L382-F396 HydrophobicContact CD1-CE1 4.2Å; L382-F396 HydrophobicContact CD1-CZ 3.74Å; L382-F396 HydrophobicContact CD2-CE1 4.2Å; L382-F396 HydrophobicContact CD2-CZ 3.73Å; L382-F396 HydrophobicContact CG-CZ 4.41Å; G391-F396 VanDerWaalsContact O-CD2 3.24Å; G391-F396 WeakPolarHBondContact O-CD2 3.12Å; G391-F396 PolarHBondContact O-N 2.87Å; P394-F396 HydrophobicContact CB-CE1 4.41Å; P394-F396 HydrophobicContact CB-CE2 4.49Å; P394-F396 HydrophobicContact CB-CZ 4.04Å; P394-F396 HydrophobicContact CG-CD2 4.19Å; P394-F396 HydrophobicContact CG-CE1 4.22Å; P394-F396 HydrophobicContact CG-CE2 3.49Å; P394-F396 VanDerWaalsContact CG-CE2 3.49Å; P394-F396 HydrophobicContact CG-CZ 3.49Å; P394-F396 VanDerWaalsContact CG-CZ 3.49Å; F396-T407 VanDerWaalsContact O-CB 3.3Å; F396-T407 WeakPolarHBondContact O-CB 3.12Å; F396-T407 PolarHBondContact O-OG1 3.25Å; F396-L444 HydrophobicContact CD1-CD2 4.33Å; F396-L444 HydrophobicContact CE1-CD2 3.54Å; F396-L444 HydrophobicContact CE2-CD2 4.06Å; F396-L444 HydrophobicContact CZ-CD2 3.38Å; F396-V449 HydrophobicContact CB-CG1 4.22Å; F396-V449 HydrophobicContact CG-CG1 4.39Å; F396-L453 HydrophobicContact CB-CD1 4.03Å; F396-L453 HydrophobicContact CD1-CD1 4.11Å
397	M	98.3	Very high	97.7	Very high	16 Å²	16	9.8 Å²	9.8	8%	0.079	6%	0.056	C	C	.	.			trans	-83.8	126.8	-176.9	-179.8	155	174.3	0	0	112.7	L371 N372 G395 V399 I402	L371-M397 HydrophobicContact CB-SD 3.97Å; L371-M397 HydrophobicContact CD1-CE 3.53Å; L371-M397 HydrophobicContact CD1-SD 3.97Å; N372-M397 HydrophobicContact CB-CB 4.25Å; G395-M397 PolarHBondContact O-N 3.33Å; M397-V399 PolarHBondContact O-N 3.06Å; M397-I402 HydrophobicContact CE-CG2 4.12Å
398	N	98.1	Very high	97.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-82.3	93.8	165.6	-170.6	-28.8	0	0	0	109.6	P400 K401 I402 K403 E452 L453	N398-P400 VanDerWaalsContact OD1-CD 3.25Å; N398-P400 WeakPolarHBondContact OD1-CD 3.39Å; N398-P400 WeakPolarHBondContact OD1-CG 3.37Å; N398-K401 HydrophobicContact CB-CB 4.09Å; N398-K401 HydrophobicContact CB-CD 4.31Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 VanDerWaalsContact CG-CG 3.47Å; N398-K401 VanDerWaalsContact ND2-CD 3.31Å; N398-K401 WeakPolarHBondContact ND2-CD 3.5Å; N398-K401 WeakPolarHBondContact ND2-CG 3.35Å; N398-K401 PolarHBondContact O-N 3.49Å; N398-K401 WeakPolarHBondContact OD1-CG 3.46Å; N398-K401 PolarHBondContact OD1-N 3.14Å; N398-I402 PolarHBondContact O-N 3.3Å; N398-I402 VanDerWaalsContact O-N 3.09Å; N398-K403 WeakPolarHBondContact CA-O 3.01Å; N398-K403 WeakPolarHBondContact CB-O 3.3Å; N398-K403 PolarHBondContact N-O 3.49Å; N398-K403 PolarHBondContact O-N 2.7Å; N398-E452 VanDerWaalsContact ND2-CG 3.32Å; N398-E452 WeakPolarHBondContact ND2-CG 3.46Å; N398-E452 PolarHBondContact ND2-OE1 3.12Å; N398-L453 HydrophobicContact CB-CD2 4.18Å
399	V	93.9	Very high	97.7	Very high	11 Å²	11	10.1 Å²	10.1	7%	0.067	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-57.1	-53.8	-176	-156.7	0	0	0	0	113.5	Y309 E373 M397 K401 I402	Y309-V399 HydrophobicContact CE1-CG1 4.37Å; E373-V399 HydrophobicContact CB-CG1 3.65Å; E373-V399 HydrophobicContact CB-CG2 4.03Å; M397-V399 PolarHBondContact O-N 3.06Å; V399-K401 PolarHBondContact O-N 3.23Å; V399-I402 WeakPolarHBondContact O-CA 3.42Å; V399-I402 PolarHBondContact O-N 3.28Å
400	P	94.4	Very high	97.7	Very high	14 Å²	14	11.4 Å²	11.4	9%	0.091	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-73.9	-7.9	-178.1	31.5	-38	0	0	0	114.4	P170 M171 N398 V456 I459	P170-P400 HydrophobicContact CB-CB 4.36Å; P170-P400 HydrophobicContact CG-CB 3.98Å; M171-P400 VanDerWaalsContact CE-O 3.27Å; M171-P400 WeakPolarHBondContact CE-O 3.48Å; N398-P400 VanDerWaalsContact OD1-CD 3.25Å; N398-P400 WeakPolarHBondContact OD1-CD 3.39Å; N398-P400 WeakPolarHBondContact OD1-CG 3.37Å; P400-V456 HydrophobicContact CG-CB 3.75Å; P400-V456 HydrophobicContact CG-CG1 3.87Å; P400-V456 HydrophobicContact CG-CG2 4.36Å; P400-I459 HydrophobicContact CB-CB 4.33Å; P400-I459 HydrophobicContact CB-CD1 4Å; P400-I459 HydrophobicContact CB-CG2 3.8Å; P400-I459 HydrophobicContact CG-CB 4.14Å; P400-I459 HydrophobicContact CG-CD1 3.68Å; P400-I459 HydrophobicContact CG-CG2 4.16Å
401	K	94.9	Very high	97.7	Very high	29 Å²	29	11.4 Å²	11.4	13%	0.126	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-87.6	-18.2	163.2	-73.9	-164.1	179.9	174	0	113.2	E125 P170 N398 V399 K403 E452	E125-K401 WeakPolarHBondContact OE1-CD 3.46Å; E125-K401 WeakPolarHBondContact OE1-CE 3.37Å; E125-K401 IonicContact OE1-NZ 3.72Å; E125-K401 PolarHBondContact OE1-NZ 3.46Å; E125-K401 IonicContact OE2-NZ 2.74Å; E125-K401 PolarHBondContact OE2-NZ 2.21Å; P170-K401 HydrophobicContact CB-CG 4.03Å; P170-K401 WeakPolarHBondContact O-CG 3.49Å; N398-K401 HydrophobicContact CB-CB 4.09Å; N398-K401 HydrophobicContact CB-CD 4.31Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 VanDerWaalsContact CG-CG 3.47Å; N398-K401 VanDerWaalsContact ND2-CD 3.31Å; N398-K401 WeakPolarHBondContact ND2-CD 3.5Å; N398-K401 WeakPolarHBondContact ND2-CG 3.35Å; N398-K401 PolarHBondContact O-N 3.49Å; N398-K401 WeakPolarHBondContact OD1-CG 3.46Å; N398-K401 PolarHBondContact OD1-N 3.14Å; V399-K401 PolarHBondContact O-N 3.23Å; K401-K403 VanDerWaalsContact C-N 3.32Å; K401-K403 HydrophobicContact CB-CB 4.08Å; K401-K403 HydrophobicContact CB-CD 4.24Å; K401-K403 HydrophobicContact CB-CG 4.15Å; K401-K403 HydrophobicContact CD-CD 4.37Å; K401-K403 WeakPolarHBondContact O-CG 3.37Å; K401-K403 PolarHBondContact O-NZ 3.26Å; K401-E452 WeakPolarHBondContact CD-OE1 3.01Å; K401-E452 VanDerWaalsContact CE-OE1 3.31Å; K401-E452 WeakPolarHBondContact CE-OE1 3.32Å; K401-E452 IonicContact NZ-OE1 2.82Å; K401-E452 PolarHBondContact NZ-OE1 3.28Å; K401-E452 IonicContact NZ-OE2 3.58Å; K401-E452 PolarHBondContact NZ-OE2 2.95Å
402	I	95.6	Very high	97.7	Very high	57 Å²	57	11.4 Å²	11.4	29%	0.292	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	45.2	-163.7	-41.3	177	0	0	0	111.4	M171 M397 N398 V399	M171-I402 HydrophobicContact CE-CD1 4.37Å; M171-I402 HydrophobicContact CE-CG1 4.19Å; M397-I402 HydrophobicContact CE-CG2 4.12Å; N398-I402 PolarHBondContact O-N 3.3Å; N398-I402 VanDerWaalsContact O-N 3.09Å; V399-I402 WeakPolarHBondContact O-CA 3.42Å; V399-I402 PolarHBondContact O-N 3.28Å
403	K	97.5	Very high	97.7	Very high	8 Å²	8	10 Å²	10	4%	0.035	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-137.2	125.8	-176.5	-65.9	178.9	-166.5	74.4	0	112.4	C123 E125 N173 N176 N398 K401	C123-K403 WeakPolarHBondContact O-CD 3.41Å; C123-K403 VanDerWaalsContact O-CE 3.31Å; C123-K403 WeakPolarHBondContact O-CE 3.28Å; C123-K403 WeakPolarHBondContact O-CG 3.39Å; E125-K403 HydrophobicContact CG-CD 3.99Å; E125-K403 WeakPolarHBondContact OE1-CD 3.49Å; N173-K403 WeakPolarHBondContact OD1-CE 3.19Å; N173-K403 PolarHBondContact OD1-NZ 2.74Å; N176-K403 WeakPolarHBondContact ND2-CE 3.25Å; N398-K403 WeakPolarHBondContact CA-O 3.01Å; N398-K403 WeakPolarHBondContact CB-O 3.3Å; N398-K403 PolarHBondContact N-O 3.49Å; N398-K403 PolarHBondContact O-N 2.7Å; K401-K403 VanDerWaalsContact C-N 3.32Å; K401-K403 HydrophobicContact CB-CB 4.08Å; K401-K403 HydrophobicContact CB-CD 4.24Å; K401-K403 HydrophobicContact CB-CG 4.15Å; K401-K403 HydrophobicContact CD-CD 4.37Å; K401-K403 WeakPolarHBondContact O-CG 3.37Å; K401-K403 PolarHBondContact O-NZ 3.26Å
404	G	97.6	Very high	97.8	Very high	8 Å²	8	10.7 Å²	10.7	8%	0.082	6%	0.057	C	C	.	.			trans	-130.6	-4.3	170	0	0	0	0	0	114.1	T407 A408	G404-T407 PolarHBondContact O-OG1 3.21Å; G404-T407 VanDerWaalsContact O-OG1 3.04Å; G404-A408 WeakPolarHBondContact O-CB 3.35Å; G404-A408 PolarHBondContact O-N 2.79Å
405	T	98.7	Very high	97.8	Very high	19 Å²	19	10.7 Å²	10.7	12%	0.117	6%	0.057	C	C	.	.	H	α-helix	trans	-70.8	-45.9	-174.8	-51.2	0	0	0	0	112.2	P83 L124 L181 A408 M409	P83-T405 HydrophobicContact CB-CG2 3.94Å; P83-T405 HydrophobicContact CG-CG2 4Å; L124-T405 HydrophobicContact CD1-CG2 3.64Å; L181-T405 HydrophobicContact CD1-CG2 3.83Å; T405-A408 PolarHBondContact O-N 2.85Å; T405-M409 HydrophobicContact CG2-CG 4.45Å; T405-M409 HydrophobicContact CG2-SD 4.2Å; T405-M409 VanDerWaalsContact O-CG 3.3Å; T405-M409 WeakPolarHBondContact O-CG 3.4Å; T405-M409 PolarHBondContact O-N 3.45Å
406	H	98.6	Very high	97.8	Very high	11 Å²	11	10.7 Å²	10.7	5%	0.051	6%	0.057	C	C	.	.	H	α-helix	trans	-67.1	-42.1	-177.1	63.8	-57.1	0	0	0	112.3	E125 A128 K410 E452	E125-H406 HydrophobicContact CB-CB 3.82Å; E125-H406 WeakPolarHBondContact O-CB 3.44Å; E125-H406 IonicContact OE1-CE1 3.76Å; E125-H406 IonicContact OE1-NE2 3.37Å; E125-H406 IonicContact OE2-CD2 2.79Å; E125-H406 IonicContact OE2-NE2 2.73Å; A128-H406 VanDerWaalsContact CB-O 3.26Å; A128-H406 WeakPolarHBondContact CB-O 3.3Å; H406-K410 WeakPolarHBondContact O-CB 3.32Å; H406-K410 PolarHBondContact O-N 3.19Å; H406-E452 IonicContact CD2-OE2 3.3Å; H406-E452 IonicContact CE1-OE1 3.72Å; H406-E452 IonicContact NE2-OE1 3.24Å; H406-E452 PolarHBondContact NE2-OE1 3.33Å; H406-E452 IonicContact NE2-OE2 3.14Å; H406-E452 PolarHBondContact NE2-OE2 3.05Å; H406-E452 VanDerWaalsContact NE2-OE2 3.15Å
407	T	98.8	Very high	97.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-66.3	-38.4	172	47.7	0	0	0	0	111.8	F396 G404 S411 V449	F396-T407 VanDerWaalsContact O-CB 3.3Å; F396-T407 WeakPolarHBondContact O-CB 3.12Å; F396-T407 PolarHBondContact O-OG1 3.25Å; G404-T407 PolarHBondContact O-OG1 3.21Å; G404-T407 VanDerWaalsContact O-OG1 3.04Å; T407-S411 VanDerWaalsContact O-CB 3.3Å; T407-S411 WeakPolarHBondContact O-CB 3.48Å; T407-S411 PolarHBondContact O-N 2.81Å; T407-V449 HydrophobicContact CG2-CB 4.39Å; T407-V449 HydrophobicContact CG2-CG1 3.82Å; T407-V449 HydrophobicContact CG2-CG2 4.2Å
408	A	98.8	Very high	97.9	Very high	7 Å²	7	13.1 Å²	13.1	6%	0.058	7%	0.07	C	C	.	.	H	α-helix	trans	-65.6	-45.3	176.4	0	0	0	0	0	112.6	A84 G404 T405 S411 G412	A84-A408 HydrophobicContact CB-CB 4.17Å; A84-A408 WeakPolarHBondContact CB-O 3.35Å; G404-A408 WeakPolarHBondContact O-CB 3.35Å; G404-A408 PolarHBondContact O-N 2.79Å; T405-A408 PolarHBondContact O-N 2.85Å; A408-S411 PolarHBondContact O-N 3.25Å; A408-S411 PolarHBondContact O-OG 3.16Å; A408-G412 PolarHBondContact O-N 2.82Å; A408-G412 VanDerWaalsContact O-N 3.15Å
409	M	98.9	Very high	97.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-58.8	-52.6	173.3	-70.1	177.5	72.7	0	0	110.9	P83 S87 A128 L129 L132 L188 T405 S411 G412 I413	P83-M409 HydrophobicContact CB-CG 3.79Å; S87-M409 WeakPolarHBondContact CB-O 3.49Å; S87-M409 WeakPolarHBondContact OG-CA 3.48Å; S87-M409 WeakPolarHBondContact OG-CB 3.26Å; S87-M409 WeakPolarHBondContact OG-CG 3.42Å; A128-M409 HydrophobicContact CB-CB 3.7Å; L129-M409 HydrophobicContact CB-CE 3.9Å; L129-M409 HydrophobicContact CD1-CE 3.99Å; L132-M409 HydrophobicContact CD2-CE 4.38Å; L188-M409 HydrophobicContact CD1-CE 4.42Å; L188-M409 HydrophobicContact CD2-CE 4.47Å; T405-M409 HydrophobicContact CG2-CG 4.45Å; T405-M409 HydrophobicContact CG2-SD 4.2Å; T405-M409 VanDerWaalsContact O-CG 3.3Å; T405-M409 WeakPolarHBondContact O-CG 3.4Å; T405-M409 PolarHBondContact O-N 3.45Å; M409-S411 PolarHBondContact O-N 3.02Å; M409-G412 WeakPolarHBondContact O-CA 3.45Å; M409-G412 PolarHBondContact O-N 2.99Å; M409-I413 WeakPolarHBondContact O-CG1 3.45Å; M409-I413 PolarHBondContact O-N 3.4Å
410	K	98.9	Very high	98.1	Very high	28 Å²	28	12.8 Å²	12.8	12%	0.122	7%	0.067	C	C	.	.	H	α-helix	trans	-59.7	-33.9	178.3	-176.7	56.9	-179.3	169.5	0	112.6	A128 E131 H406 G412 I413 L414 V449	A128-K410 HydrophobicContact CB-CB 4.09Å; E131-K410 VanDerWaalsContact CD-NZ 3.26Å; E131-K410 WeakPolarHBondContact OE1-CD 3.36Å; E131-K410 WeakPolarHBondContact OE1-CE 3.34Å; E131-K410 IonicContact OE1-NZ 3.98Å; E131-K410 PolarHBondContact OE1-NZ 2.94Å; E131-K410 IonicContact OE2-NZ 2.75Å; E131-K410 PolarHBondContact OE2-NZ 2.89Å; H406-K410 WeakPolarHBondContact O-CB 3.32Å; H406-K410 PolarHBondContact O-N 3.19Å; K410-G412 VanDerWaalsContact C-N 3.3Å; K410-G412 PolarHBondContact O-N 2.9Å; K410-I413 HydrophobicContact CD-CB 4.43Å; K410-I413 HydrophobicContact CD-CD1 4.5Å; K410-I413 PolarHBondContact O-N 2.86Å; K410-L414 HydrophobicContact CD-CD1 4.32Å; K410-L414 HydrophobicContact CD-CG 4.11Å; K410-L414 HydrophobicContact CG-CD1 4.12Å; K410-L414 HydrophobicContact CG-CG 4.38Å; K410-L414 WeakPolarHBondContact O-CG 3.48Å; K410-L414 PolarHBondContact O-N 3.1Å; K410-V449 HydrophobicContact CB-CG2 3.99Å; K410-V449 HydrophobicContact CG-CG2 3.86Å
411	S	98.9	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-29.7	174.7	80.3	0	0	0	0	113.1	G391 T407 A408 M409 A415 Y440	G391-S411 PolarHBondContact N-OG 2.87Å; T407-S411 VanDerWaalsContact O-CB 3.3Å; T407-S411 WeakPolarHBondContact O-CB 3.48Å; T407-S411 PolarHBondContact O-N 2.81Å; A408-S411 PolarHBondContact O-N 3.25Å; A408-S411 PolarHBondContact O-OG 3.16Å; M409-S411 PolarHBondContact O-N 3.02Å; S411-A415 WeakPolarHBondContact O-CB 3.36Å; S411-A415 PolarHBondContact O-N 2.99Å; S411-Y440 WeakPolarHBondContact CB-OH 3.3Å; S411-Y440 VanDerWaalsContact O-CE2 3.24Å; S411-Y440 WeakPolarHBondContact O-CE2 3.3Å; S411-Y440 PolarHBondContact O-OH 3.03Å
412	G	98.9	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-74.4	-42.2	171.9	0	0	0	0	0	112.6	A88 A408 M409 K410 A415 A416	A88-G412 WeakPolarHBondContact CA-O 3.32Å; A408-G412 PolarHBondContact O-N 2.82Å; A408-G412 VanDerWaalsContact O-N 3.15Å; M409-G412 WeakPolarHBondContact O-CA 3.45Å; M409-G412 PolarHBondContact O-N 2.99Å; K410-G412 VanDerWaalsContact C-N 3.3Å; K410-G412 PolarHBondContact O-N 2.9Å; G412-A415 PolarHBondContact O-N 2.9Å; G412-A416 PolarHBondContact O-N 3.2Å
413	I	98.9	Very high	98.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-51	174.8	-60	173.5	0	0	0	110.5	R91 E131 L132 M409 K410 A415 A416 E417	R91-I413 HydrophobicContact CG-CG2 3.99Å; E131-I413 HydrophobicContact CB-CD1 4.48Å; E131-I413 WeakPolarHBondContact OE1-CG2 3.15Å; L132-I413 HydrophobicContact CB-CD1 4.05Å; L132-I413 HydrophobicContact CD1-CD1 4.37Å; L132-I413 HydrophobicContact CD1-CG1 4.17Å; M409-I413 WeakPolarHBondContact O-CG1 3.45Å; M409-I413 PolarHBondContact O-N 3.4Å; K410-I413 HydrophobicContact CD-CB 4.43Å; K410-I413 HydrophobicContact CD-CD1 4.5Å; K410-I413 PolarHBondContact O-N 2.86Å; I413-A415 VanDerWaalsContact C-N 3.29Å; I413-A415 PolarHBondContact O-N 2.91Å; I413-A416 WeakPolarHBondContact O-CB 3.39Å; I413-A416 PolarHBondContact O-N 3.21Å; I413-E417 WeakPolarHBondContact O-CG 3.27Å; I413-E417 PolarHBondContact O-N 3.4Å
414	L	98.9	Very high	98.2	Very high	13 Å²	13	16.3 Å²	16.3	7%	0.068	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-30.1	179.6	-67.9	173.1	0	0	0	113.1	K410 A418 Y440 N443 L444	K410-L414 HydrophobicContact CD-CD1 4.32Å; K410-L414 HydrophobicContact CD-CG 4.11Å; K410-L414 HydrophobicContact CG-CD1 4.12Å; K410-L414 HydrophobicContact CG-CG 4.38Å; K410-L414 WeakPolarHBondContact O-CG 3.48Å; K410-L414 PolarHBondContact O-N 3.1Å; L414-A418 WeakPolarHBondContact O-CB 3.36Å; L414-A418 PolarHBondContact O-N 3.4Å; L414-A418 VanDerWaalsContact O-N 3.16Å; L414-Y440 HydrophobicContact CB-CD2 4.34Å; L414-Y440 HydrophobicContact CB-CE2 4.15Å; L414-N443 HydrophobicContact CD2-CB 4.46Å; L414-L444 HydrophobicContact CD1-CD1 3.8Å
415	A	98.9	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-47.3	172.8	0	0	0	0	0	110.5	I390 S411 G412 I413 E417 A418 I419 Y440	I390-A415 HydrophobicContact CG2-CB 3.76Å; S411-A415 WeakPolarHBondContact O-CB 3.36Å; S411-A415 PolarHBondContact O-N 2.99Å; G412-A415 PolarHBondContact O-N 2.9Å; I413-A415 VanDerWaalsContact C-N 3.29Å; I413-A415 PolarHBondContact O-N 2.91Å; A415-E417 VanDerWaalsContact C-N 3.33Å; A415-E417 PolarHBondContact O-N 3Å; A415-A418 PolarHBondContact O-N 2.92Å; A415-A418 VanDerWaalsContact O-N 3.16Å; A415-I419 HydrophobicContact CB-CD1 4.38Å; A415-I419 WeakPolarHBondContact O-CB 3.33Å; A415-I419 VanDerWaalsContact O-CD1 3.32Å; A415-I419 WeakPolarHBondContact O-CD1 3.27Å; A415-I419 WeakPolarHBondContact O-CG1 3.3Å; A415-I419 PolarHBondContact O-N 3.34Å; A415-Y440 VanDerWaalsContact CA-CD2 3.49Å; A415-Y440 HydrophobicContact CB-CD2 3.83Å; A415-Y440 HydrophobicContact CB-CE2 3.75Å; A415-Y440 HydrophobicContact CB-CG 4.42Å
416	A	98.9	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.9	-45	175.3	0	0	0	0	0	112.5	R91 L92 G412 I413 A418 I419 F420	R91-A416 HydrophobicContact CB-CB 3.61Å; R91-A416 HydrophobicContact CG-CB 3.75Å; L92-A416 HydrophobicContact CD2-CB 3.98Å; L92-A416 HydrophobicContact CG-CB 3.69Å; G412-A416 PolarHBondContact O-N 3.2Å; I413-A416 WeakPolarHBondContact O-CB 3.39Å; I413-A416 PolarHBondContact O-N 3.21Å; A416-A418 VanDerWaalsContact C-N 3.29Å; A416-A418 PolarHBondContact O-N 3.18Å; A416-I419 PolarHBondContact O-N 2.87Å; A416-F420 WeakPolarHBondContact O-CB 3.38Å; A416-F420 PolarHBondContact O-N 3.15Å
417	E	98.8	Very high	96.5	Very high	63 Å²	63	32.1 Å²	32.1	29%	0.294	17%	0.171	S	C	.	.	H	α-helix	trans	-65.6	-28.2	178.6	-71.2	173.7	158.7	0	0	113.1	R91 L95 I413 A415 P421	R91-E417 HydrophobicContact CG-CG 4.2Å; R91-E417 IonicContact CZ-OE1 3.94Å; R91-E417 IonicContact NE-OE1 2.72Å; R91-E417 PolarHBondContact NE-OE1 2.83Å; R91-E417 IonicContact NH2-OE1 2.8Å; R91-E417 PolarHBondContact NH2-OE1 2.88Å; L95-E417 HydrophobicContact CD1-CG 4.04Å; I413-E417 WeakPolarHBondContact O-CG 3.27Å; I413-E417 PolarHBondContact O-N 3.4Å; A415-E417 VanDerWaalsContact C-N 3.33Å; A415-E417 PolarHBondContact O-N 3Å; E417-P421 WeakPolarHBondContact O-CD 3.37Å
418	A	98.7	Very high	95.6	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-82.9	-35.8	172.8	0	0	0	0	0	113.1	L414 A415 A416 I437	L414-A418 WeakPolarHBondContact O-CB 3.36Å; L414-A418 PolarHBondContact O-N 3.4Å; L414-A418 VanDerWaalsContact O-N 3.16Å; A415-A418 PolarHBondContact O-N 2.92Å; A415-A418 VanDerWaalsContact O-N 3.16Å; A416-A418 VanDerWaalsContact C-N 3.29Å; A416-A418 PolarHBondContact O-N 3.18Å; A418-I437 HydrophobicContact CB-CG2 3.81Å
419	I	98.6	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-51.6	179.3	-68.7	159.1	0	0	0	111.4	V76 L92 V246 V248 L388 A415 A416 K422 V423 I437	V76-I419 HydrophobicContact CG2-CG2 3.73Å; L92-I419 HydrophobicContact CD2-CB 4.05Å; L92-I419 HydrophobicContact CD2-CG2 3.85Å; V246-I419 HydrophobicContact CG1-CG1 4.28Å; V246-I419 HydrophobicContact CG1-CG2 3.76Å; V248-I419 HydrophobicContact CG2-CD1 3.6Å; L388-I419 HydrophobicContact CD1-CD1 3.75Å; L388-I419 HydrophobicContact CD1-CG1 3.56Å; A415-I419 HydrophobicContact CB-CD1 4.38Å; A415-I419 WeakPolarHBondContact O-CB 3.33Å; A415-I419 VanDerWaalsContact O-CD1 3.32Å; A415-I419 WeakPolarHBondContact O-CD1 3.27Å; A415-I419 WeakPolarHBondContact O-CG1 3.3Å; A415-I419 PolarHBondContact O-N 3.34Å; A416-I419 PolarHBondContact O-N 2.87Å; I419-K422 WeakPolarHBondContact O-CA 3.33Å; I419-K422 WeakPolarHBondContact O-CB 3.35Å; I419-K422 PolarHBondContact O-N 3.05Å; I419-V423 HydrophobicContact CG2-CB 4.48Å; I419-V423 HydrophobicContact CG2-CG1 3.72Å; I419-V423 HydrophobicContact CG2-CG2 3.91Å; I419-V423 PolarHBondContact O-N 2.67Å; I419-I437 HydrophobicContact CB-CD1 4.28Å; I419-I437 HydrophobicContact CG1-CD1 3.75Å
420	F	98.6	Very high	94.1	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-50.9	-49.8	-169.6	-172.8	-91.1	0	0	0	115	L92 L95 A96 Q99 K101 L103 A416 K422 T424	L92-F420 HydrophobicContact CD2-CB 4.26Å; L95-F420 HydrophobicContact CB-CB 4.31Å; L95-F420 HydrophobicContact CB-CD1 4.02Å; L95-F420 HydrophobicContact CB-CD2 3.67Å; L95-F420 HydrophobicContact CB-CE1 4.31Å; L95-F420 HydrophobicContact CB-CE2 3.99Å; L95-F420 HydrophobicContact CB-CG 3.69Å; L95-F420 HydrophobicContact CB-CZ 4.29Å; L95-F420 HydrophobicContact CD1-CB 3.77Å; L95-F420 HydrophobicContact CD1-CG 4.08Å; L95-F420 HydrophobicContact CG-CG 4.47Å; L95-F420 WeakPolarHBondContact O-CZ 3.46Å; A96-F420 VanDerWaalsContact CA-CE2 3.42Å; A96-F420 HydrophobicContact CB-CE2 3.84Å; A96-F420 VanDerWaalsContact N-CE2 3.34Å; Q99-F420 HydrophobicContact CB-CE1 4.36Å; Q99-F420 HydrophobicContact CB-CZ 4.32Å; Q99-F420 HydrophobicContact CG-CE1 4.38Å; K101-F420 HydrophobicContact CB-CZ 4.2Å; K101-F420 HydrophobicContact CD-CE1 4.46Å; K101-F420 HydrophobicContact CD-CZ 4.09Å; K101-F420 HydrophobicContact CG-CZ 4.36Å; L103-F420 HydrophobicContact CD2-CD2 4.06Å; L103-F420 HydrophobicContact CD2-CE2 4.24Å; A416-F420 WeakPolarHBondContact O-CB 3.38Å; A416-F420 PolarHBondContact O-N 3.15Å; F420-K422 PolarHBondContact O-N 2.99Å; F420-T424 HydrophobicContact CD2-CG2 4.19Å; F420-T424 HydrophobicContact CE1-CG2 4.32Å; F420-T424 HydrophobicContact CE2-CG2 3.78Å; F420-T424 HydrophobicContact CZ-CG2 3.87Å; F420-T424 WeakPolarHBondContact O-CB 3.48Å; F420-T424 WeakPolarHBondContact O-CG2 3.3Å; F420-T424 PolarHBondContact O-N 3.25Å; F420-T424 PolarHBondContact O-OG1 2.98Å
421	P	96.7	Very high	93.6	Very high	77 Å²	77	53.9 Å²	53.9	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-67.5	-22.5	179.3	27.4	-35.9	0	0	0	113.4	E417	E417-P421 WeakPolarHBondContact O-CD 3.37Å
422	K	95.8	Very high	93.5	Very high	80 Å²	80	55.4 Å²	55.4	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-80.9	-52.5	177.8	-62.9	-76	-173.6	166	0	111.4	I419 F420 T424 A425 L428 L435 I437 E439	I419-K422 WeakPolarHBondContact O-CA 3.33Å; I419-K422 WeakPolarHBondContact O-CB 3.35Å; I419-K422 PolarHBondContact O-N 3.05Å; F420-K422 PolarHBondContact O-N 2.99Å; K422-T424 PolarHBondContact O-N 3.35Å; K422-A425 PolarHBondContact O-N 2.89Å; K422-L428 WeakPolarHBondContact O-CD2 3.49Å; K422-L435 HydrophobicContact CB-CD1 4.32Å; K422-I437 HydrophobicContact CB-CG1 4.49Å; K422-I437 HydrophobicContact CG-CG1 4.29Å; K422-I437 HydrophobicContact CG-CG2 4.46Å; K422-E439 VanDerWaalsContact CE-CD 3.48Å; K422-E439 WeakPolarHBondContact CE-OE1 3.42Å; K422-E439 WeakPolarHBondContact CE-OE2 3.44Å; K422-E439 IonicContact NZ-OE1 3.67Å; K422-E439 PolarHBondContact NZ-OE1 3.35Å; K422-E439 IonicContact NZ-OE2 2.8Å
423	V	96.1	Very high	93.3	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-21.1	-177.2	-63.3	0	0	0	0	113.7	V76 L103 K245 V246 I419 L435	V76-V423 HydrophobicContact CG2-CG1 4.43Å; L103-V423 HydrophobicContact CD1-CB 4.5Å; L103-V423 HydrophobicContact CD1-CG2 3.61Å; K245-V423 HydrophobicContact CB-CG1 4.23Å; K245-V423 HydrophobicContact CD-CB 4.23Å; K245-V423 HydrophobicContact CD-CG1 4.34Å; K245-V423 PolarHBondContact NZ-O 2.94Å; V246-V423 HydrophobicContact CG1-CG1 3.97Å; I419-V423 HydrophobicContact CG2-CB 4.48Å; I419-V423 HydrophobicContact CG2-CG1 3.72Å; I419-V423 HydrophobicContact CG2-CG2 3.91Å; I419-V423 PolarHBondContact O-N 2.67Å; V423-L435 HydrophobicContact CG1-CD1 3.73Å
424	T	95	Very high	93.2	Very high	21 Å²	21	58.1 Å²	58.1	13%	0.129	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	13.5	179	73.2	0	0	0	0	114.6	K101 L103 F420 K422	K101-T424 VanDerWaalsContact CD-CB 3.47Å; K101-T424 HydrophobicContact CD-CG2 3.89Å; K101-T424 PolarHBondContact NZ-O 2.92Å; K101-T424 PolarHBondContact NZ-OG1 3.25Å; L103-T424 HydrophobicContact CD1-CG2 4.08Å; F420-T424 HydrophobicContact CD2-CG2 4.19Å; F420-T424 HydrophobicContact CE1-CG2 4.32Å; F420-T424 HydrophobicContact CE2-CG2 3.78Å; F420-T424 HydrophobicContact CZ-CG2 3.87Å; F420-T424 WeakPolarHBondContact O-CB 3.48Å; F420-T424 WeakPolarHBondContact O-CG2 3.3Å; F420-T424 PolarHBondContact O-N 3.25Å; F420-T424 PolarHBondContact O-OG1 2.98Å; K422-T424 PolarHBondContact O-N 3.35Å
425	A	92.5	Very high	93.1	Very high	41 Å²	41	58.2 Å²	58.2	34%	0.339	32%	0.317	S	S	.	.			trans	-68.4	143.2	171.9	0	0	0	0	0	110.9	K422 N427	K422-A425 PolarHBondContact O-N 2.89Å; A425-N427 PolarHBondContact O-N 2.85Å
426	E	84.4	Confident	93	Very high	196 Å²	196	61.1 Å²	61.1	92%	0.916	33%	0.33	S	S	*	.	S	Bend	trans	-62.8	-32.3	177.6	-64.8	-179.2	170.7	0	0	112.5
427	N	82.4	Confident	92.9	Very high	134 Å²	134	61.1 Å²	61.1	72%	0.717	33%	0.33	S	S	*	.	S	Bend	trans	-121.2	113.8	173.6	-64.5	-66.4	0	0	0	108.9	A425 D429	A425-N427 PolarHBondContact O-N 2.85Å; N427-D429 VanDerWaalsContact C-N 3.3Å; N427-D429 PolarHBondContact O-N 3.04Å
428	L	80.8	Confident	92.8	Very high	87 Å²	87	60.6 Å²	60.6	46%	0.455	33%	0.332	S	S	.	.			trans	-80.5	77.3	173.6	-67	171.8	0	0	0	109.6	K245 K422 S430 L435	K245-L428 HydrophobicContact CD-CD1 4.3Å; K422-L428 WeakPolarHBondContact O-CD2 3.49Å; L428-S430 PolarHBondContact O-N 3.22Å; L428-L435 HydrophobicContact CD2-CD1 4.35Å; L428-L435 HydrophobicContact CD2-CD2 4.48Å
429	D	78.3	Confident	92.8	Very high	159 Å²	159	63.4 Å²	63.4	85%	0.85	34%	0.344	S	S	*	.			trans	-77.8	116.7	171	-167.4	15.5	0	0	0	109.6	N427	N427-D429 VanDerWaalsContact C-N 3.3Å; N427-D429 PolarHBondContact O-N 3.04Å
430	S	86.4	Confident	92.8	Very high	46 Å²	46	63.4 Å²	63.4	32%	0.322	34%	0.344	S	S	.	.			trans	-154.2	142.7	-179.5	-145.1	0	0	0	0	111.5	L428 T432	L428-S430 PolarHBondContact O-N 3.22Å; S430-T432 WeakPolarHBondContact CB-O 3.21Å; S430-T432 PolarHBondContact O-N 3.29Å
431	E	89.9	Confident	92.8	Very high	201 Å²	201	64.3 Å²	64.3	94%	0.939	35%	0.351	S	S	*	.	S	Bend	trans	-71.3	-15.9	178.1	-60.2	-176.9	165.4	0	0	112.9
432	T	95.1	Very high	92.8	Very high	32 Å²	32	64.9 Å²	64.9	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-137.9	156.3	-177.2	49.4	0	0	0	0	111.2	D213 P385 S430 G434	D213-T432 VanDerWaalsContact OD2-CA 3.26Å; D213-T432 WeakPolarHBondContact OD2-CA 3.35Å; D213-T432 WeakPolarHBondContact OD2-CB 3.31Å; P385-T432 HydrophobicContact CB-CG2 4.1Å; P385-T432 HydrophobicContact CG-CG2 4.39Å; S430-T432 WeakPolarHBondContact CB-O 3.21Å; S430-T432 PolarHBondContact O-N 3.29Å; T432-G434 PolarHBondContact O-N 2.85Å; T432-G434 PolarHBondContact OG1-O 3.2Å
433	A	94.8	Very high	92.9	Very high	59 Å²	59	64.4 Å²	64.4	49%	0.488	35%	0.351	S	S	.	.	S	Bend	trans	-61.1	-43.4	179.6	0	0	0	0	0	112.6	H211 D213	H211-A433 HydrophobicContact CB-CB 4.19Å; D213-A433 PolarHBondContact OD2-N 2.97Å
434	G	96.9	Very high	93.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-82.6	130.6	167.5	0	0	0	0	0	111.2	S215 G386 T432 H436	S215-G434 PolarHBondContact OG-N 3.1Å; G386-G434 VanDerWaalsContact N-C 3.33Å; G386-G434 PolarHBondContact N-O 2.82Å; G386-G434 VanDerWaalsContact N-O 3.16Å; T432-G434 PolarHBondContact O-N 2.85Å; T432-G434 PolarHBondContact OG1-O 3.2Å; G434-H436 PolarHBondContact O-N 2.89Å
435	L	97.1	Very high	93.2	Very high	15 Å²	15	67.6 Å²	67.6	8%	0.079	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65.4	129.6	-175.9	-62.1	178.3	0	0	0	112	K245 G386 K422 V423 L428 I437	K245-L435 HydrophobicContact CB-CD1 4.03Å; K245-L435 HydrophobicContact CB-CG 4.31Å; K245-L435 PolarHBondContact O-N 3.21Å; G386-L435 WeakPolarHBondContact CA-O 3.25Å; G386-L435 PolarHBondContact N-O 3.09Å; K422-L435 HydrophobicContact CB-CD1 4.32Å; V423-L435 HydrophobicContact CG1-CD1 3.73Å; L428-L435 HydrophobicContact CD2-CD1 4.35Å; L428-L435 HydrophobicContact CD2-CD2 4.48Å; L435-I437 HydrophobicContact CB-CG1 4.35Å
436	H	97.3	Very high	93.5	Very high	60 Å²	60	71.2 Å²	71.2	28%	0.278	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-93.3	124.4	166.2	-171.3	-149.9	0	0	0	110.2	T383 F384 G434 P438	T383-H436 WeakPolarHBondContact CB-NE2 3.33Å; T383-H436 PolarHBondContact OG1-NE2 3.29Å; F384-H436 PolarHBondContact O-CD2 3.02Å; G434-H436 PolarHBondContact O-N 2.89Å; H436-P438 VanDerWaalsContact C-CD 3.49Å; H436-P438 VanDerWaalsContact O-CD 3.28Å; H436-P438 WeakPolarHBondContact O-CD 3.3Å
437	I	97.3	Very high	94.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	34%	0.339	C	S	.	.			trans	-120.8	76.1	-174.7	-53.5	160	0	0	0	108.8	V246 T383 L388 A418 I419 K422 L435 E439	V246-I437 HydrophobicContact CB-CD1 4.23Å; V246-I437 HydrophobicContact CG1-CD1 4.27Å; V246-I437 HydrophobicContact CG2-CD1 3.95Å; T383-I437 VanDerWaalsContact CG2-O 3.3Å; T383-I437 WeakPolarHBondContact CG2-O 3.43Å; L388-I437 HydrophobicContact CD1-CB 4.45Å; L388-I437 HydrophobicContact CD1-CD1 4.12Å; L388-I437 HydrophobicContact CD2-CB 4.23Å; A418-I437 HydrophobicContact CB-CG2 3.81Å; I419-I437 HydrophobicContact CB-CD1 4.28Å; I419-I437 HydrophobicContact CG1-CD1 3.75Å; K422-I437 HydrophobicContact CB-CG1 4.49Å; K422-I437 HydrophobicContact CG-CG1 4.29Å; K422-I437 HydrophobicContact CG-CG2 4.46Å; L435-I437 HydrophobicContact CB-CG1 4.35Å; I437-E439 PolarHBondContact O-N 3.17Å
438	P	97	Very high	94.9	Very high	52 Å²	52	57.9 Å²	57.9	34%	0.338	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.6	179.7	26.7	-35.2	0	0	0	113.1	H436 Y440 S441	H436-P438 VanDerWaalsContact C-CD 3.49Å; H436-P438 VanDerWaalsContact O-CD 3.28Å; H436-P438 WeakPolarHBondContact O-CD 3.3Å; P438-Y440 PolarHBondContact O-N 3.16Å; P438-S441 WeakPolarHBondContact O-CB 3.22Å; P438-S441 PolarHBondContact O-N 2.59Å
439	E	97.6	Very high	95.7	Very high	64 Å²	64	53.9 Å²	53.9	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-22.8	-175.8	-58.6	87	167	0	0	113	K422 I437 S441 D442 N443	K422-E439 VanDerWaalsContact CE-CD 3.48Å; K422-E439 WeakPolarHBondContact CE-OE1 3.42Å; K422-E439 WeakPolarHBondContact CE-OE2 3.44Å; K422-E439 IonicContact NZ-OE1 3.67Å; K422-E439 PolarHBondContact NZ-OE1 3.35Å; K422-E439 IonicContact NZ-OE2 2.8Å; I437-E439 PolarHBondContact O-N 3.17Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 2.93Å; E439-D442 PolarHBondContact O-N 2.77Å; E439-N443 VanDerWaalsContact O-CB 3.27Å; E439-N443 WeakPolarHBondContact O-CB 3.36Å; E439-N443 PolarHBondContact O-N 3.26Å; E439-N443 PolarHBondContact O-ND2 2.8Å
440	Y	98.8	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-41.3	171.4	171.1	-123	0	0	0	112.3	L382 T383 L388 L389 I390 S411 L414 A415 P438 L444	L382-Y440 HydrophobicContact CB-CD1 4.12Å; L382-Y440 HydrophobicContact CB-CE1 3.86Å; L382-Y440 HydrophobicContact CD1-CE1 3.98Å; T383-Y440 HydrophobicContact CG2-CD1 4Å; L388-Y440 HydrophobicContact CD2-CD1 4.09Å; L389-Y440 WeakPolarHBondContact O-CE1 3.33Å; I390-Y440 HydrophobicContact CG2-CE1 4.32Å; S411-Y440 WeakPolarHBondContact CB-OH 3.3Å; S411-Y440 VanDerWaalsContact O-CE2 3.24Å; S411-Y440 WeakPolarHBondContact O-CE2 3.3Å; S411-Y440 PolarHBondContact O-OH 3.03Å; L414-Y440 HydrophobicContact CB-CD2 4.34Å; L414-Y440 HydrophobicContact CB-CE2 4.15Å; A415-Y440 VanDerWaalsContact CA-CD2 3.49Å; A415-Y440 HydrophobicContact CB-CD2 3.83Å; A415-Y440 HydrophobicContact CB-CE2 3.75Å; A415-Y440 HydrophobicContact CB-CG 4.42Å; P438-Y440 PolarHBondContact O-N 3.16Å; Y440-L444 WeakPolarHBondContact O-CB 3.45Å; Y440-L444 PolarHBondContact O-N 2.62Å
441	S	97.9	Very high	97.2	Very high	21 Å²	21	53.2 Å²	53.2	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-50.2	176.9	-70	0	0	0	0	110.8	T383 P438 E439 N443 L444 E445	T383-S441 WeakPolarHBondContact CG2-OG 3.44Å; P438-S441 WeakPolarHBondContact O-CB 3.22Å; P438-S441 PolarHBondContact O-N 2.59Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 2.93Å; S441-N443 VanDerWaalsContact C-N 3.32Å; S441-N443 PolarHBondContact O-N 3.19Å; S441-L444 PolarHBondContact O-N 2.94Å; S441-E445 WeakPolarHBondContact O-CG 3.35Å; S441-E445 PolarHBondContact O-N 3.4Å
442	D	98	Very high	97.6	Very high	89 Å²	89	45.3 Å²	45.3	48%	0.476	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-43.8	179.9	-56.6	-39.9	0	0	0	111.8	E439 L444 E445 N446	E439-D442 PolarHBondContact O-N 2.77Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.3Å; D442-E445 PolarHBondContact O-N 3.47Å; D442-N446 WeakPolarHBondContact O-CB 3.3Å; D442-N446 PolarHBondContact O-N 2.71Å; D442-N446 VanDerWaalsContact O-N 3.08Å; D442-N446 PolarHBondContact O-ND2 2.63Å
443	N	98.6	Very high	97.8	Very high	70 Å²	70	43.9 Å²	43.9	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-39.8	176.2	-75.2	-21.8	0	0	0	111.9	L414 E439 S441 S447	L414-N443 HydrophobicContact CD2-CB 4.46Å; E439-N443 VanDerWaalsContact O-CB 3.27Å; E439-N443 WeakPolarHBondContact O-CB 3.36Å; E439-N443 PolarHBondContact O-N 3.26Å; E439-N443 PolarHBondContact O-ND2 2.8Å; S441-N443 VanDerWaalsContact C-N 3.32Å; S441-N443 PolarHBondContact O-N 3.19Å; N443-S447 WeakPolarHBondContact O-CB 3.47Å; N443-S447 PolarHBondContact O-N 3.04Å
444	L	98.6	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-43.3	177.2	-170	71.8	0	0	0	112.1	L382 F396 L414 Y440 S441 D442 N446 S447 V449 W450	L382-L444 HydrophobicContact CD1-CD2 3.39Å; F396-L444 HydrophobicContact CD1-CD2 4.33Å; F396-L444 HydrophobicContact CE1-CD2 3.54Å; F396-L444 HydrophobicContact CE2-CD2 4.06Å; F396-L444 HydrophobicContact CZ-CD2 3.38Å; L414-L444 HydrophobicContact CD1-CD1 3.8Å; Y440-L444 WeakPolarHBondContact O-CB 3.45Å; Y440-L444 PolarHBondContact O-N 2.62Å; S441-L444 PolarHBondContact O-N 2.94Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.3Å; L444-N446 VanDerWaalsContact C-N 3.29Å; L444-N446 PolarHBondContact O-N 3.43Å; L444-S447 VanDerWaalsContact O-CB 3.27Å; L444-S447 WeakPolarHBondContact O-CB 3.33Å; L444-S447 PolarHBondContact O-N 3.29Å; L444-S447 VanDerWaalsContact O-N 3.1Å; L444-S447 PolarHBondContact O-OG 2.95Å; L444-V449 HydrophobicContact CD1-CB 3.97Å; L444-V449 HydrophobicContact CD1-CG1 4.16Å; L444-V449 HydrophobicContact CD1-CG2 4.18Å; L444-W450 WeakPolarHBondContact O-CB 3.48Å
445	E	98.3	Very high	98	Very high	92 Å²	92	45.9 Å²	45.9	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-36	178.6	-70.2	-166.6	-162.1	0	0	112.4	S441 D442 S447 W450	S441-E445 WeakPolarHBondContact O-CG 3.35Å; S441-E445 PolarHBondContact O-N 3.4Å; D442-E445 PolarHBondContact O-N 3.47Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-W450 HydrophobicContact CB-CD2 4.23Å; E445-W450 HydrophobicContact CB-CG 4.32Å; E445-W450 HydrophobicContact CG-CD2 3.87Å; E445-W450 HydrophobicContact CG-CE3 4.03Å; E445-W450 HydrophobicContact CG-CG 4.48Å; E445-W450 HydrophobicContact CG-CH2 3.89Å; E445-W450 HydrophobicContact CG-CZ2 3.73Å; E445-W450 HydrophobicContact CG-CZ3 4.02Å; E445-W450 VanDerWaalsContact O-CB 3.22Å; E445-W450 WeakPolarHBondContact O-CB 3.26Å
446	N	98.4	Very high	98.1	Very high	118 Å²	118	45.6 Å²	45.6	63%	0.631	24%	0.235	S	C	*	.	H	α-helix	trans	-77.8	-17.5	175.9	-75.7	-69.5	0	0	0	113.8	D442 L444 K451	D442-N446 WeakPolarHBondContact O-CB 3.3Å; D442-N446 PolarHBondContact O-N 2.71Å; D442-N446 VanDerWaalsContact O-N 3.08Å; D442-N446 PolarHBondContact O-ND2 2.63Å; L444-N446 VanDerWaalsContact C-N 3.29Å; L444-N446 PolarHBondContact O-N 3.43Å; N446-K451 PolarHBondContact O-NZ 3.22Å
447	S	98.5	Very high	98.2	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.098	22%	0.224	C	C	.	.	S	Bend	trans	-71.7	176.4	-174.6	82.6	0	0	0	0	114.8	N443 L444 E445 V449	N443-S447 WeakPolarHBondContact O-CB 3.47Å; N443-S447 PolarHBondContact O-N 3.04Å; L444-S447 VanDerWaalsContact O-CB 3.27Å; L444-S447 WeakPolarHBondContact O-CB 3.33Å; L444-S447 PolarHBondContact O-N 3.29Å; L444-S447 VanDerWaalsContact O-N 3.1Å; L444-S447 PolarHBondContact O-OG 2.95Å; E445-S447 VanDerWaalsContact C-N 3.34Å; S447-V449 VanDerWaalsContact C-N 3.27Å; S447-V449 PolarHBondContact O-N 3.28Å; S447-V449 WeakPolarHBondContact OG-CB 3.37Å; S447-V449 PolarHBondContact OG-N 3.21Å
448	S	96.9	Very high	98.2	Very high	35 Å²	35	43.3 Å²	43.3	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-24.5	169.5	53.9	0	0	0	0	113.7	E452	S448-E452 VanDerWaalsContact O-CB 3.27Å; S448-E452 WeakPolarHBondContact O-CB 3.33Å; S448-E452 PolarHBondContact O-N 3.2Å
449	V	98.6	Very high	98.3	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-49.1	-178.4	178.6	0	0	0	0	110.3	F396 T407 K410 L444 S447 E452 L453	F396-V449 HydrophobicContact CB-CG1 4.22Å; F396-V449 HydrophobicContact CG-CG1 4.39Å; T407-V449 HydrophobicContact CG2-CB 4.39Å; T407-V449 HydrophobicContact CG2-CG1 3.82Å; T407-V449 HydrophobicContact CG2-CG2 4.2Å; K410-V449 HydrophobicContact CB-CG2 3.99Å; K410-V449 HydrophobicContact CG-CG2 3.86Å; L444-V449 HydrophobicContact CD1-CB 3.97Å; L444-V449 HydrophobicContact CD1-CG1 4.16Å; L444-V449 HydrophobicContact CD1-CG2 4.18Å; S447-V449 VanDerWaalsContact C-N 3.27Å; S447-V449 PolarHBondContact O-N 3.28Å; S447-V449 WeakPolarHBondContact OG-CB 3.37Å; S447-V449 PolarHBondContact OG-N 3.21Å; V449-E452 PolarHBondContact O-N 2.92Å; V449-L453 HydrophobicContact CG1-CD1 3.93Å; V449-L453 HydrophobicContact CG1-CG 4.47Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 3.13Å
450	W	98.6	Very high	98.3	Very high	55 Å²	55	38.6 Å²	38.6	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-47.1	-179.9	-156.9	-111.7	0	0	0	112	F376 I379 L444 E445 E452 L453 H454	F376-W450 AromaticContact CE2-CD2 3.74Å; F376-W450 HydrophobicContact CE2-CD2 3.74Å; F376-W450 AromaticContact CE2-CE2 3.43Å; F376-W450 VanDerWaalsContact CE2-CE2 3.43Å; F376-W450 HydrophobicContact CE2-CE3 4.39Å; F376-W450 HydrophobicContact CE2-CG 4.08Å; F376-W450 HydrophobicContact CE2-CH2 4.47Å; F376-W450 AromaticContact CE2-CZ2 3.83Å; F376-W450 HydrophobicContact CE2-CZ2 3.83Å; F376-W450 AromaticContact CE2-NE1 3.62Å; F376-W450 HydrophobicContact CZ-CD2 4.46Å; F376-W450 AromaticContact CZ-CE2 3.7Å; F376-W450 AromaticContact CZ-CZ2 3.82Å; F376-W450 HydrophobicContact CZ-CZ2 3.82Å; F376-W450 AromaticContact CZ-NE1 3.74Å; I379-W450 HydrophobicContact CD1-CE3 4.12Å; I379-W450 HydrophobicContact CD1-CH2 4.3Å; I379-W450 HydrophobicContact CD1-CZ3 3.7Å; I379-W450 HydrophobicContact CG2-CH2 4.39Å; I379-W450 HydrophobicContact CG2-CZ3 4.05Å; L444-W450 WeakPolarHBondContact O-CB 3.48Å; E445-W450 HydrophobicContact CB-CD2 4.23Å; E445-W450 HydrophobicContact CB-CG 4.32Å; E445-W450 HydrophobicContact CG-CD2 3.87Å; E445-W450 HydrophobicContact CG-CE3 4.03Å; E445-W450 HydrophobicContact CG-CG 4.48Å; E445-W450 HydrophobicContact CG-CH2 3.89Å; E445-W450 HydrophobicContact CG-CZ2 3.73Å; E445-W450 HydrophobicContact CG-CZ3 4.02Å; E445-W450 VanDerWaalsContact O-CB 3.22Å; E445-W450 WeakPolarHBondContact O-CB 3.26Å; W450-E452 VanDerWaalsContact C-N 3.33Å; W450-E452 PolarHBondContact O-N 3.11Å; W450-L453 PolarHBondContact O-N 3.4Å; W450-H454 WeakPolarHBondContact O-CB 3.36Å; W450-H454 PolarHBondContact O-N 3.18Å
451	K	98.1	Very high	98.3	Very high	136 Å²	136	38.9 Å²	38.9	59%	0.591	20%	0.199	S	C	*	.	H	α-helix	trans	-60.4	-40.9	177.8	-69.6	165.3	-178.7	150	0	111.9	N446 A455	N446-K451 PolarHBondContact O-NZ 3.22Å; K451-A455 WeakPolarHBondContact O-CB 3.43Å; K451-A455 PolarHBondContact O-N 3.48Å; K451-A455 VanDerWaalsContact O-N 3.13Å
452	E	98.1	Very high	98.3	Very high	36 Å²	36	38.2 Å²	38.2	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-51.6	176.6	178.5	173.7	161.9	0	0	112	N398 K401 H406 S448 V449 W450 A455 V456	N398-E452 VanDerWaalsContact ND2-CG 3.32Å; N398-E452 WeakPolarHBondContact ND2-CG 3.46Å; N398-E452 PolarHBondContact ND2-OE1 3.12Å; K401-E452 WeakPolarHBondContact CD-OE1 3.01Å; K401-E452 VanDerWaalsContact CE-OE1 3.31Å; K401-E452 WeakPolarHBondContact CE-OE1 3.32Å; K401-E452 IonicContact NZ-OE1 2.82Å; K401-E452 PolarHBondContact NZ-OE1 3.28Å; K401-E452 IonicContact NZ-OE2 3.58Å; K401-E452 PolarHBondContact NZ-OE2 2.95Å; H406-E452 IonicContact CD2-OE2 3.3Å; H406-E452 IonicContact CE1-OE1 3.72Å; H406-E452 IonicContact NE2-OE1 3.24Å; H406-E452 PolarHBondContact NE2-OE1 3.33Å; H406-E452 IonicContact NE2-OE2 3.14Å; H406-E452 PolarHBondContact NE2-OE2 3.05Å; H406-E452 VanDerWaalsContact NE2-OE2 3.15Å; S448-E452 VanDerWaalsContact O-CB 3.27Å; S448-E452 WeakPolarHBondContact O-CB 3.33Å; S448-E452 PolarHBondContact O-N 3.2Å; V449-E452 PolarHBondContact O-N 2.92Å; W450-E452 VanDerWaalsContact C-N 3.33Å; W450-E452 PolarHBondContact O-N 3.11Å; E452-A455 PolarHBondContact O-N 3.5Å; E452-V456 PolarHBondContact O-N 3.1Å
453	L	98.6	Very high	98.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-178.7	-65.1	177	0	0	0	111.6	F376 I379 F396 N398 V449 W450 A455 V456 R457	F376-L453 HydrophobicContact CB-CB 4.33Å; F376-L453 HydrophobicContact CD2-CB 4.1Å; I379-L453 HydrophobicContact CD1-CD1 4Å; F396-L453 HydrophobicContact CB-CD1 4.03Å; F396-L453 HydrophobicContact CD1-CD1 4.11Å; N398-L453 HydrophobicContact CB-CD2 4.18Å; V449-L453 HydrophobicContact CG1-CD1 3.93Å; V449-L453 HydrophobicContact CG1-CG 4.47Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 3.13Å; W450-L453 PolarHBondContact O-N 3.4Å; L453-A455 VanDerWaalsContact C-N 3.34Å; L453-A455 PolarHBondContact O-N 3.38Å; L453-V456 WeakPolarHBondContact O-CG2 3.39Å; L453-V456 PolarHBondContact O-N 3.03Å; L453-R457 PolarHBondContact O-N 2.95Å; L453-R457 VanDerWaalsContact O-N 3.07Å
454	H	98.6	Very high	98.2	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.338	17%	0.168	S	C	.	.	H	α-helix	trans	-61	-40.9	175.3	-176.2	-95.9	0	0	0	111.9	F376 W450 V456 R457	F376-H454 HydrophobicContact CD2-CB 3.91Å; F376-H454 AromaticContact CE1-CD2 3.81Å; F376-H454 HydrophobicContact CE2-CB 3.76Å; F376-H454 HydrophobicContact CZ-CB 4.29Å; F376-H454 AromaticContact CZ-CD2 3.68Å; W450-H454 WeakPolarHBondContact O-CB 3.36Å; W450-H454 PolarHBondContact O-N 3.18Å; H454-V456 VanDerWaalsContact C-N 3.25Å; H454-V456 PolarHBondContact O-N 3.17Å; H454-R457 VanDerWaalsContact CE1-CZ 3.49Å; H454-R457 PolarHBondContact CE1-NH1 3.2Å; H454-R457 PolarHBondContact ND1-NH1 3.33Å; H454-R457 WeakPolarHBondContact O-CB 3.46Å; H454-R457 VanDerWaalsContact O-CD 3.22Å; H454-R457 WeakPolarHBondContact O-CD 3.43Å; H454-R457 WeakPolarHBondContact O-CG 3.38Å; H454-R457 PolarHBondContact O-N 2.93Å; H454-R457 PolarHBondContact O-NH1 3.22Å
455	A	98.3	Very high	98	Very high	28 Å²	28	36.3 Å²	36.3	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-23.7	179.7	0	0	0	0	0	113.7	K451 E452 L453 Y480 G485	K451-A455 WeakPolarHBondContact O-CB 3.43Å; K451-A455 PolarHBondContact O-N 3.48Å; K451-A455 VanDerWaalsContact O-N 3.13Å; E452-A455 PolarHBondContact O-N 3.5Å; L453-A455 VanDerWaalsContact C-N 3.34Å; L453-A455 PolarHBondContact O-N 3.38Å; A455-Y480 HydrophobicContact CB-CE2 4.47Å; A455-Y480 WeakPolarHBondContact O-CD2 3.44Å; A455-G485 WeakPolarHBondContact O-CA 3.44Å
456	V	98.3	Very high	97.9	Very high	9 Å²	9	40 Å²	40	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-103.8	-4.7	178.9	-62.7	0	0	0	0	114.4	P400 E452 L453 H454 N458 I459 Y480	P400-V456 HydrophobicContact CG-CB 3.75Å; P400-V456 HydrophobicContact CG-CG1 3.87Å; P400-V456 HydrophobicContact CG-CG2 4.36Å; E452-V456 PolarHBondContact O-N 3.1Å; L453-V456 WeakPolarHBondContact O-CG2 3.39Å; L453-V456 PolarHBondContact O-N 3.03Å; H454-V456 VanDerWaalsContact C-N 3.25Å; H454-V456 PolarHBondContact O-N 3.17Å; V456-N458 PolarHBondContact O-N 2.61Å; V456-I459 HydrophobicContact CB-CD1 4.17Å; V456-I459 HydrophobicContact CG1-CD1 4.25Å; V456-I459 PolarHBondContact O-N 3.06Å; V456-Y480 HydrophobicContact CG1-CD2 4.25Å; V456-Y480 HydrophobicContact CG1-CE2 3.58Å
457	R	98.5	Very high	97.8	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.045	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-35.1	-167.7	72.3	-167.5	-177.2	-76.8	-0.4	115.4	F376 Q377 L453 H454 P461 G485 E487 W489 T490	F376-R457 HydrophobicContact CB-CB 3.73Å; F376-R457 HydrophobicContact CD1-CB 4.43Å; F376-R457 HydrophobicContact CG-CB 4.28Å; Q377-R457 PolarHBondContact NE2-O 3.18Å; Q377-R457 PolarHBondContact OE1-O 2.94Å; L453-R457 PolarHBondContact O-N 2.95Å; L453-R457 VanDerWaalsContact O-N 3.07Å; H454-R457 VanDerWaalsContact CE1-CZ 3.49Å; H454-R457 PolarHBondContact CE1-NH1 3.2Å; H454-R457 PolarHBondContact ND1-NH1 3.33Å; H454-R457 WeakPolarHBondContact O-CB 3.46Å; H454-R457 VanDerWaalsContact O-CD 3.22Å; H454-R457 WeakPolarHBondContact O-CD 3.43Å; H454-R457 WeakPolarHBondContact O-CG 3.38Å; H454-R457 PolarHBondContact O-N 2.93Å; H454-R457 PolarHBondContact O-NH1 3.22Å; R457-P461 VanDerWaalsContact O-CD 3.28Å; R457-P461 WeakPolarHBondContact O-CD 3.41Å; R457-P461 WeakPolarHBondContact O-CG 3.4Å; R457-G485 PolarHBondContact NH1-O 3.29Å; R457-E487 PolarHBondContact NH2-O 3.49Å; R457-W489 PolarHBondContact NH2-O 2.82Å; R457-T490 HydrophobicContact CG-CG2 4.27Å; R457-T490 PolarHBondContact NE-OG1 3.43Å
458	N	98.6	Very high	97.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.9	-175.7	-67.4	-30.6	0	0	0	114.3	V456 S462 Y475 E487 W489 T490 L491	V456-N458 PolarHBondContact O-N 2.61Å; N458-S462 VanDerWaalsContact O-CB 3.3Å; N458-S462 WeakPolarHBondContact O-CB 3.34Å; N458-S462 PolarHBondContact O-N 3.46Å; N458-Y475 HydrophobicContact CB-CE1 3.63Å; N458-Y475 WeakPolarHBondContact CB-OH 3.27Å; N458-E487 WeakPolarHBondContact CB-OE1 3.45Å; N458-E487 VanDerWaalsContact ND2-CG 3.26Å; N458-E487 WeakPolarHBondContact ND2-CG 3.09Å; N458-E487 PolarHBondContact ND2-OE1 2.77Å; N458-W489 PolarHBondContact ND2-O 3.26Å; N458-T490 WeakPolarHBondContact OD1-CA 3.49Å; N458-L491 HydrophobicContact CB-CD1 4.07Å; N458-L491 HydrophobicContact CB-CG 4.19Å; N458-L491 PolarHBondContact OD1-N 3.48Å
459	I	98.4	Very high	97.7	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-58.4	-174.7	-66.9	167.8	0	0	0	111.1	P400 V456 S462 F463 T476 Y480	P400-I459 HydrophobicContact CB-CB 4.33Å; P400-I459 HydrophobicContact CB-CD1 4Å; P400-I459 HydrophobicContact CB-CG2 3.8Å; P400-I459 HydrophobicContact CG-CB 4.14Å; P400-I459 HydrophobicContact CG-CD1 3.68Å; P400-I459 HydrophobicContact CG-CG2 4.16Å; V456-I459 HydrophobicContact CB-CD1 4.17Å; V456-I459 HydrophobicContact CG1-CD1 4.25Å; V456-I459 PolarHBondContact O-N 3.06Å; I459-S462 WeakPolarHBondContact O-CB 3.16Å; I459-S462 PolarHBondContact O-N 2.99Å; I459-S462 PolarHBondContact O-OG 3.22Å; I459-F463 HydrophobicContact CG2-CE2 4.12Å; I459-F463 WeakPolarHBondContact O-CD2 3.11Å; I459-F463 WeakPolarHBondContact O-CE2 3.35Å; I459-T476 HydrophobicContact CD1-CG2 4.16Å; I459-T476 HydrophobicContact CG1-CG2 4.48Å; I459-T476 WeakPolarHBondContact CG2-OG1 3.49Å; I459-Y480 HydrophobicContact CD1-CD1 4.47Å; I459-Y480 HydrophobicContact CD1-CD2 3.81Å; I459-Y480 HydrophobicContact CD1-CE2 4.49Å; I459-Y480 HydrophobicContact CD1-CG 3.78Å
460	R	98.1	Very high	97.7	Very high	9 Å²	9	44.3 Å²	44.3	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-48.1	-180	-170.9	-88.4	-177.5	178.8	-0.6	112.8	T275 D333 E373 S462 F463 H464 H493	T275-R460 PolarHBondContact OG1-NH1 2.88Å; T275-R460 VanDerWaalsContact OG1-NH1 3.14Å; D333-R460 IonicContact OD1-NH2 3.36Å; D333-R460 IonicContact OD2-CZ 3.77Å; D333-R460 IonicContact OD2-NH2 2.78Å; D333-R460 PolarHBondContact OD2-NH2 3.43Å; D333-R460 VanDerWaalsContact OD2-NH2 3.13Å; E373-R460 HydrophobicContact CB-CG 4.37Å; E373-R460 WeakPolarHBondContact O-CD 3.2Å; E373-R460 IonicContact OE1-CZ 3.69Å; E373-R460 IonicContact OE1-NE 3.78Å; E373-R460 PolarHBondContact OE1-NE 2.99Å; E373-R460 IonicContact OE1-NH2 2.64Å; E373-R460 PolarHBondContact OE1-NH2 2.94Å; R460-S462 PolarHBondContact O-N 2.86Å; R460-S462 VanDerWaalsContact O-N 3.17Å; R460-F463 PolarHBondContact O-N 3.18Å; R460-F463 VanDerWaalsContact O-N 3.16Å; R460-H464 PolarHBondContact NH1-NE2 2.8Å; R460-H464 VanDerWaalsContact NH1-NE2 3.19Å; R460-H493 PolarHBondContact NH1-ND1 2.87Å
461	P	98.4	Very high	97.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-56.2	-31.5	175.2	-24.3	29.6	0	0	0	114.6	R457 F463 H464 L491	R457-P461 VanDerWaalsContact O-CD 3.28Å; R457-P461 WeakPolarHBondContact O-CD 3.41Å; R457-P461 WeakPolarHBondContact O-CG 3.4Å; P461-F463 PolarHBondContact O-N 3.03Å; P461-F463 VanDerWaalsContact O-N 3.11Å; P461-H464 VanDerWaalsContact O-CB 3.3Å; P461-H464 WeakPolarHBondContact O-CB 3.4Å; P461-H464 PolarHBondContact O-CD2 3.39Å; P461-H464 VanDerWaalsContact O-CD2 3.26Å; P461-H464 PolarHBondContact O-N 3.27Å; P461-L491 HydrophobicContact CB-CB 3.57Å; P461-L491 HydrophobicContact CB-CD1 4.3Å; P461-L491 HydrophobicContact CG-CB 4.23Å
462	S	98.3	Very high	97.6	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-18.7	-178.9	74.2	0	0	0	0	113.5	N458 I459 R460 H464 N465 G472	N458-S462 VanDerWaalsContact O-CB 3.3Å; N458-S462 WeakPolarHBondContact O-CB 3.34Å; N458-S462 PolarHBondContact O-N 3.46Å; I459-S462 WeakPolarHBondContact O-CB 3.16Å; I459-S462 PolarHBondContact O-N 2.99Å; I459-S462 PolarHBondContact O-OG 3.22Å; R460-S462 PolarHBondContact O-N 2.86Å; R460-S462 VanDerWaalsContact O-N 3.17Å; S462-H464 PolarHBondContact O-N 3.47Å; S462-N465 PolarHBondContact O-ND2 2.99Å; S462-G472 WeakPolarHBondContact OG-CA 3.37Å
463	F	97.9	Very high	97.5	Very high	33 Å²	33	36.4 Å²	36.4	15%	0.145	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.9	175.8	-71.3	-117.5	0	0	0	112.5	Y309 I459 R460 P461 N465 G468 L469	Y309-F463 HydrophobicContact CD2-CB 4.44Å; Y309-F463 AromaticContact CD2-CD1 3.6Å; Y309-F463 HydrophobicContact CD2-CD1 3.6Å; Y309-F463 AromaticContact CD2-CE1 3.91Å; Y309-F463 HydrophobicContact CD2-CE1 3.91Å; Y309-F463 AromaticContact CD2-CG 3.95Å; Y309-F463 HydrophobicContact CD2-CG 3.95Å; Y309-F463 AromaticContact CE2-CD1 3.89Å; Y309-F463 HydrophobicContact CE2-CD1 3.89Å; Y309-F463 HydrophobicContact CE2-CD2 4.31Å; Y309-F463 AromaticContact CE2-CE1 3.77Å; Y309-F463 HydrophobicContact CE2-CE1 3.77Å; Y309-F463 HydrophobicContact CE2-CE2 4.24Å; Y309-F463 HydrophobicContact CE2-CG 4.18Å; Y309-F463 AromaticContact CE2-CZ 3.98Å; Y309-F463 HydrophobicContact CE2-CZ 3.98Å; I459-F463 HydrophobicContact CG2-CE2 4.12Å; I459-F463 WeakPolarHBondContact O-CD2 3.11Å; I459-F463 WeakPolarHBondContact O-CE2 3.35Å; R460-F463 PolarHBondContact O-N 3.18Å; R460-F463 VanDerWaalsContact O-N 3.16Å; P461-F463 PolarHBondContact O-N 3.03Å; P461-F463 VanDerWaalsContact O-N 3.11Å; F463-N465 PolarHBondContact O-N 3.13Å; F463-N465 VanDerWaalsContact O-N 3.09Å; F463-G468 WeakPolarHBondContact O-CA 3.44Å; F463-L469 HydrophobicContact CE1-CD1 3.75Å
464	H	96.1	Very high	97.5	Very high	32 Å²	32	40.7 Å²	40.7	15%	0.148	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	7.5	-179.3	-65.5	-39.6	0	0	0	115.1	D333 R460 P461 S462 R494	D333-H464 IonicContact OD2-CE1 2.73Å; D333-H464 PolarHBondContact OD2-CE1 2.91Å; D333-H464 VanDerWaalsContact OD2-CE1 3.3Å; R460-H464 PolarHBondContact NH1-NE2 2.8Å; R460-H464 VanDerWaalsContact NH1-NE2 3.19Å; P461-H464 VanDerWaalsContact O-CB 3.3Å; P461-H464 WeakPolarHBondContact O-CB 3.4Å; P461-H464 PolarHBondContact O-CD2 3.39Å; P461-H464 VanDerWaalsContact O-CD2 3.26Å; P461-H464 PolarHBondContact O-N 3.27Å; S462-H464 PolarHBondContact O-N 3.47Å; H464-R494 HydrophobicContact CB-CG 4.35Å; H464-R494 PolarHBondContact O-NH2 2.99Å
465	N	94.6	Very high	97.5	Very high	53 Å²	53	38.7 Å²	38.7	28%	0.283	19%	0.186	S	C	.	.	S	Bend	trans	-87.9	172.9	178.7	82	82.6	0	0	0	112.5	S462 F463 F467 G468 G471	S462-N465 PolarHBondContact O-ND2 2.99Å; F463-N465 PolarHBondContact O-N 3.13Å; F463-N465 VanDerWaalsContact O-N 3.09Å; N465-F467 VanDerWaalsContact C-N 3.25Å; N465-F467 PolarHBondContact O-N 3.28Å; N465-F467 WeakPolarHBondContact OD1-CA 3.46Å; N465-F467 VanDerWaalsContact OD1-CB 3.32Å; N465-F467 WeakPolarHBondContact OD1-CB 3.48Å; N465-F467 WeakPolarHBondContact OD1-CD2 3.31Å; N465-F467 PolarHBondContact OD1-N 2.8Å; N465-G468 PolarHBondContact O-N 2.99Å; N465-G471 WeakPolarHBondContact ND2-CA 3.35Å
466	Y	95.2	Very high	97.4	Very high	170 Å²	170	38.2 Å²	38.2	67%	0.667	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.4	-177.9	-179.5	-101.4	0	0	0	115	R306 H307	R306-Y466 PolarHBondContact NH1-O 3.22Å; H307-Y466 PolarHBondContact CE1-O 2.99Å
467	F	96.5	Very high	97.3	Very high	127 Å²	127	39.1 Å²	39.1	56%	0.557	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.8	176.4	-55.6	-74.4	0	0	0	113.5	N465 L469 Y470	N465-F467 VanDerWaalsContact C-N 3.25Å; N465-F467 PolarHBondContact O-N 3.28Å; N465-F467 WeakPolarHBondContact OD1-CA 3.46Å; N465-F467 VanDerWaalsContact OD1-CB 3.32Å; N465-F467 WeakPolarHBondContact OD1-CB 3.48Å; N465-F467 WeakPolarHBondContact OD1-CD2 3.31Å; N465-F467 PolarHBondContact OD1-N 2.8Å; F467-L469 PolarHBondContact O-N 3.06Å; F467-Y470 PolarHBondContact O-N 2.89Å
468	G	97.4	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-133.3	175.7	0	0	0	0	0	112.9	R306 F463 N465 Y470 G471 G472	R306-G468 CarbonylContact O-C 3.55Å; R306-G468 VanDerWaalsContact O-CA 3.23Å; R306-G468 WeakPolarHBondContact O-CA 3.23Å; F463-G468 WeakPolarHBondContact O-CA 3.44Å; N465-G468 PolarHBondContact O-N 2.99Å; G468-Y470 VanDerWaalsContact C-N 3.28Å; G468-Y470 PolarHBondContact O-N 3.47Å; G468-G471 PolarHBondContact O-N 2.79Å; G468-G472 PolarHBondContact O-N 3.12Å
469	L	97.3	Very high	97.2	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-34.8	-55.8	170.3	170.9	59.1	0	0	0	113.3	V300 R306 F463 F467 G471 G472 M473	V300-L469 HydrophobicContact CB-CD1 3.95Å; V300-L469 HydrophobicContact CB-CD2 4.3Å; V300-L469 HydrophobicContact CG1-CD1 4.45Å; V300-L469 HydrophobicContact CG2-CD1 3.94Å; V300-L469 HydrophobicContact CG2-CD2 4.32Å; R306-L469 HydrophobicContact CB-CB 4.41Å; R306-L469 PolarHBondContact O-N 3.4Å; F463-L469 HydrophobicContact CE1-CD1 3.75Å; F467-L469 PolarHBondContact O-N 3.06Å; L469-G471 VanDerWaalsContact C-N 3.34Å; L469-G471 PolarHBondContact O-N 2.83Å; L469-G472 PolarHBondContact O-N 3.06Å; L469-M473 HydrophobicContact CD1-CG 4.13Å; L469-M473 HydrophobicContact CD1-SD 3.95Å; L469-M473 HydrophobicContact CG-SD 4.33Å; L469-M473 WeakPolarHBondContact O-CG 3.31Å; L469-M473 PolarHBondContact O-N 3.34Å
470	Y	96.9	Very high	97.1	Very high	117 Å²	117	45.6 Å²	45.6	46%	0.459	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-36.5	-174.8	-57	-66.4	0	0	0	112.3	I154 R306 F467 G468 M473 V474	I154-Y470 HydrophobicContact CD1-CE1 4.42Å; I154-Y470 HydrophobicContact CG2-CE1 4.35Å; R306-Y470 HydrophobicContact CB-CD2 4.28Å; R306-Y470 HydrophobicContact CB-CE2 4.11Å; F467-Y470 PolarHBondContact O-N 2.89Å; G468-Y470 VanDerWaalsContact C-N 3.28Å; G468-Y470 PolarHBondContact O-N 3.47Å; Y470-M473 PolarHBondContact O-N 3.19Å; Y470-V474 WeakPolarHBondContact O-CG2 3.49Å; Y470-V474 PolarHBondContact O-N 3.2Å
471	G	97.8	Very high	97	Very high	13 Å²	13	49.7 Å²	49.7	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-37.4	174.4	0	0	0	0	0	112.3	N465 G468 L469 V474 Y475	N465-G471 WeakPolarHBondContact ND2-CA 3.35Å; G468-G471 PolarHBondContact O-N 2.79Å; L469-G471 VanDerWaalsContact C-N 3.34Å; L469-G471 PolarHBondContact O-N 2.83Å; G471-V474 PolarHBondContact O-N 3.42Å; G471-Y475 WeakPolarHBondContact O-CB 3.36Å; G471-Y475 PolarHBondContact O-N 2.93Å
472	G	97.7	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-37.6	173.9	0	0	0	0	0	113.5	S462 G468 L469 Y475 T476	S462-G472 WeakPolarHBondContact OG-CA 3.37Å; G468-G472 PolarHBondContact O-N 3.12Å; L469-G472 PolarHBondContact O-N 3.06Å; G472-Y475 PolarHBondContact O-N 2.98Å; G472-T476 WeakPolarHBondContact O-CB 3.37Å; G472-T476 PolarHBondContact O-N 2.99Å; G472-T476 PolarHBondContact O-OG1 2.87Å
473	M	96.8	Very high	96.7	Very high	49 Å²	49	58 Å²	58	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-44	172.5	-68.5	-175.7	75.5	0	0	112	F152 I154 V163 V300 L469 Y470 T476 G477	F152-M473 HydrophobicContact CE1-CE 3.85Å; I154-M473 HydrophobicContact CD1-CE 3.85Å; I154-M473 HydrophobicContact CD1-SD 3.9Å; I154-M473 HydrophobicContact CG1-CE 4.04Å; I154-M473 HydrophobicContact CG1-SD 4.17Å; V163-M473 HydrophobicContact CG2-CE 4.27Å; V300-M473 HydrophobicContact CG2-SD 4.21Å; L469-M473 HydrophobicContact CD1-CG 4.13Å; L469-M473 HydrophobicContact CD1-SD 3.95Å; L469-M473 HydrophobicContact CG-SD 4.33Å; L469-M473 WeakPolarHBondContact O-CG 3.31Å; L469-M473 PolarHBondContact O-N 3.34Å; Y470-M473 PolarHBondContact O-N 3.19Å; M473-T476 WeakPolarHBondContact O-CB 3.46Å; M473-T476 PolarHBondContact O-N 3.09Å; M473-G477 PolarHBondContact O-N 3.23Å
474	V	97.4	Very high	96.6	Very high	91 Å²	91	61.6 Å²	61.6	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-43.6	174.9	170.7	0	0	0	0	111.4	Y470 G471 T476 G477 I478	Y470-V474 WeakPolarHBondContact O-CG2 3.49Å; Y470-V474 PolarHBondContact O-N 3.2Å; G471-V474 PolarHBondContact O-N 3.42Å; V474-T476 VanDerWaalsContact C-N 3.3Å; V474-T476 PolarHBondContact O-N 3.15Å; V474-G477 PolarHBondContact O-N 2.97Å; V474-I478 HydrophobicContact CG1-CD1 3.88Å; V474-I478 WeakPolarHBondContact O-CG1 3.17Å; V474-I478 PolarHBondContact O-N 3.22Å
475	Y	98.1	Very high	96.6	Very high	31 Å²	31	60.2 Å²	60.2	12%	0.122	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-43.9	174.7	-170.6	-78	0	0	0	111.2	N458 G471 G472 G477 I478 F479 E487 W489 L491	N458-Y475 HydrophobicContact CB-CE1 3.63Å; N458-Y475 WeakPolarHBondContact CB-OH 3.27Å; G471-Y475 WeakPolarHBondContact O-CB 3.36Å; G471-Y475 PolarHBondContact O-N 2.93Å; G472-Y475 PolarHBondContact O-N 2.98Å; Y475-G477 PolarHBondContact O-N 2.73Å; Y475-I478 PolarHBondContact O-N 3.16Å; Y475-F479 HydrophobicContact CD1-CB 4.02Å; Y475-F479 AromaticContact CD1-CD2 3.91Å; Y475-F479 HydrophobicContact CD1-CD2 3.91Å; Y475-F479 HydrophobicContact CD1-CG 4.34Å; Y475-F479 AromaticContact CD2-CD2 3.48Å; Y475-F479 HydrophobicContact CD2-CD2 3.48Å; Y475-F479 VanDerWaalsContact CD2-CD2 3.48Å; Y475-F479 AromaticContact CD2-CE2 3.8Å; Y475-F479 HydrophobicContact CD2-CE2 3.8Å; Y475-F479 HydrophobicContact CD2-CG 4.44Å; Y475-F479 HydrophobicContact CE1-CB 3.52Å; Y475-F479 AromaticContact CE1-CD2 3.79Å; Y475-F479 HydrophobicContact CE1-CD2 3.79Å; Y475-F479 AromaticContact CE1-CG 3.86Å; Y475-F479 HydrophobicContact CE1-CG 3.86Å; Y475-F479 AromaticContact CE2-CD2 3.37Å; Y475-F479 HydrophobicContact CE2-CD2 3.37Å; Y475-F479 AromaticContact CE2-CE2 3.68Å; Y475-F479 HydrophobicContact CE2-CE2 3.68Å; Y475-F479 AromaticContact CE2-CG 4Å; Y475-F479 HydrophobicContact CE2-CG 4Å; Y475-F479 AromaticContact CG-CD2 3.73Å; Y475-F479 HydrophobicContact CG-CD2 3.73Å; Y475-F479 HydrophobicContact CG-CE2 4.44Å; Y475-F479 AromaticContact CZ-CD2 3.5Å; Y475-F479 AromaticContact CZ-CG 3.66Å; Y475-F479 PolarHBondContact O-N 3.3Å; Y475-E487 PolarHBondContact OH-OE1 3.31Å; Y475-W489 PolarHBondContact OH-NE1 3.06Å; Y475-W489 VanDerWaalsContact OH-NE1 3.11Å; Y475-L491 HydrophobicContact CE2-CD1 3.98Å
476	T	97.4	Very high	96.7	Very high	18 Å²	18	66 Å²	66	11%	0.11	31%	0.308	C	S	.	.	I	π-helix	trans	-61.6	-42.8	176.8	-55.4	0	0	0	0	111.8	L169 I459 G472 M473 V474 I478 Y480 W481	L169-T476 HydrophobicContact CD2-CG2 4.3Å; I459-T476 HydrophobicContact CD1-CG2 4.16Å; I459-T476 HydrophobicContact CG1-CG2 4.48Å; I459-T476 WeakPolarHBondContact CG2-OG1 3.49Å; G472-T476 WeakPolarHBondContact O-CB 3.37Å; G472-T476 PolarHBondContact O-N 2.99Å; G472-T476 PolarHBondContact O-OG1 2.87Å; M473-T476 WeakPolarHBondContact O-CB 3.46Å; M473-T476 PolarHBondContact O-N 3.09Å; V474-T476 VanDerWaalsContact C-N 3.3Å; V474-T476 PolarHBondContact O-N 3.15Å; T476-I478 VanDerWaalsContact C-N 3.33Å; T476-I478 PolarHBondContact O-N 3.23Å; T476-Y480 WeakPolarHBondContact O-CB 3.36Å; T476-Y480 PolarHBondContact O-N 3.4Å; T476-W481 PolarHBondContact O-N 2.89Å
477	G	96.1	Very high	96.8	Very high	27 Å²	27	58.5 Å²	58.5	28%	0.278	28%	0.279	S	S	.	.	I	π-helix	trans	-62.7	-35.2	176.2	0	0	0	0	0	113.8	M473 V474 Y475 W481	M473-G477 PolarHBondContact O-N 3.23Å; V474-G477 PolarHBondContact O-N 2.97Å; Y475-G477 PolarHBondContact O-N 2.73Å; G477-W481 WeakPolarHBondContact O-CB 3.47Å
478	I	96.8	Very high	96.9	Very high	78 Å²	78	58.5 Å²	58.5	40%	0.4	29%	0.292	S	S	.	.	I	π-helix	trans	-85.3	-63.1	-179.7	-62.1	169.3	0	0	0	110.9	V474 Y475 T476 I482 L483	V474-I478 HydrophobicContact CG1-CD1 3.88Å; V474-I478 WeakPolarHBondContact O-CG1 3.17Å; V474-I478 PolarHBondContact O-N 3.22Å; Y475-I478 PolarHBondContact O-N 3.16Å; T476-I478 VanDerWaalsContact C-N 3.33Å; T476-I478 PolarHBondContact O-N 3.23Å; I478-I482 WeakPolarHBondContact O-CB 3.5Å; I478-I482 PolarHBondContact O-N 2.87Å; I478-L483 PolarHBondContact O-N 3.41Å
479	F	97.6	Very high	96.9	Very high	44 Å²	44	63.9 Å²	63.9	19%	0.193	31%	0.312	C	S	.	.	I	π-helix	trans	-81.8	-30.7	-166.7	-65.9	-76.5	0	0	0	113.3	Y475 L483 R484 G485 E487 W489	Y475-F479 HydrophobicContact CD1-CB 4.02Å; Y475-F479 AromaticContact CD1-CD2 3.91Å; Y475-F479 HydrophobicContact CD1-CD2 3.91Å; Y475-F479 HydrophobicContact CD1-CG 4.34Å; Y475-F479 AromaticContact CD2-CD2 3.48Å; Y475-F479 HydrophobicContact CD2-CD2 3.48Å; Y475-F479 VanDerWaalsContact CD2-CD2 3.48Å; Y475-F479 AromaticContact CD2-CE2 3.8Å; Y475-F479 HydrophobicContact CD2-CE2 3.8Å; Y475-F479 HydrophobicContact CD2-CG 4.44Å; Y475-F479 HydrophobicContact CE1-CB 3.52Å; Y475-F479 AromaticContact CE1-CD2 3.79Å; Y475-F479 HydrophobicContact CE1-CD2 3.79Å; Y475-F479 AromaticContact CE1-CG 3.86Å; Y475-F479 HydrophobicContact CE1-CG 3.86Å; Y475-F479 AromaticContact CE2-CD2 3.37Å; Y475-F479 HydrophobicContact CE2-CD2 3.37Å; Y475-F479 AromaticContact CE2-CE2 3.68Å; Y475-F479 HydrophobicContact CE2-CE2 3.68Å; Y475-F479 AromaticContact CE2-CG 4Å; Y475-F479 HydrophobicContact CE2-CG 4Å; Y475-F479 AromaticContact CG-CD2 3.73Å; Y475-F479 HydrophobicContact CG-CD2 3.73Å; Y475-F479 HydrophobicContact CG-CE2 4.44Å; Y475-F479 AromaticContact CZ-CD2 3.5Å; Y475-F479 AromaticContact CZ-CG 3.66Å; Y475-F479 PolarHBondContact O-N 3.3Å; F479-L483 HydrophobicContact CD1-CD1 3.8Å; F479-L483 HydrophobicContact CE1-CD1 4.1Å; F479-L483 CarbonylContact O-C 3.55Å; F479-L483 VanDerWaalsContact O-C 3.29Å; F479-L483 WeakPolarHBondContact O-CB 3.39Å; F479-R484 PolarHBondContact O-N 3.14Å; F479-R484 VanDerWaalsContact O-N 3.11Å; F479-G485 PolarHBondContact O-N 3.43Å; F479-E487 HydrophobicContact CD1-CB 4.18Å; F479-W489 HydrophobicContact CD1-CH2 4.4Å; F479-W489 AromaticContact CD1-CZ2 3.94Å; F479-W489 HydrophobicContact CD1-CZ2 3.94Å; F479-W489 AromaticContact CE1-CH2 3.66Å; F479-W489 HydrophobicContact CE1-CH2 3.66Å; F479-W489 AromaticContact CE1-CZ2 3.44Å; F479-W489 HydrophobicContact CE1-CZ2 3.44Å; F479-W489 VanDerWaalsContact CE1-CZ2 3.44Å; F479-W489 HydrophobicContact CZ-CH2 4.24Å; F479-W489 AromaticContact CZ-CZ2 3.89Å; F479-W489 HydrophobicContact CZ-CZ2 3.89Å
480	Y	96.7	Very high	97	Very high	37 Å²	37	66.3 Å²	66.3	15%	0.145	33%	0.328	C	S	.	.	I	π-helix	trans	-92.7	-52.7	176	-170.5	-93.8	0	0	0	113.1	G168 P170 A455 V456 I459 T476 R484	G168-Y480 WeakPolarHBondContact O-CE1 3.39Å; P170-Y480 HydrophobicContact CB-CE1 3.93Å; P170-Y480 VanDerWaalsContact CD-CE1 3.48Å; P170-Y480 HydrophobicContact CG-CD1 4.23Å; P170-Y480 HydrophobicContact CG-CE1 3.99Å; A455-Y480 HydrophobicContact CB-CE2 4.47Å; A455-Y480 WeakPolarHBondContact O-CD2 3.44Å; V456-Y480 HydrophobicContact CG1-CD2 4.25Å; V456-Y480 HydrophobicContact CG1-CE2 3.58Å; I459-Y480 HydrophobicContact CD1-CD1 4.47Å; I459-Y480 HydrophobicContact CD1-CD2 3.81Å; I459-Y480 HydrophobicContact CD1-CE2 4.49Å; I459-Y480 HydrophobicContact CD1-CG 3.78Å; T476-Y480 WeakPolarHBondContact O-CB 3.36Å; T476-Y480 PolarHBondContact O-N 3.4Å; Y480-R484 WeakPolarHBondContact O-CA 3.43Å; Y480-R484 WeakPolarHBondContact O-CD 3.43Å; Y480-R484 PolarHBondContact O-N 3.1Å
481	W	95.6	Very high	97.1	Very high	95 Å²	95	63.2 Å²	63.2	36%	0.36	32%	0.319	S	S	.	.	I	π-helix	trans	-70.5	-38.6	-174.5	177.7	63.9	0	0	0	113.3	L166 L169 T476 G477 R484	L166-W481 HydrophobicContact CB-CZ2 4.4Å; L166-W481 HydrophobicContact CD1-CH2 3.85Å; L166-W481 HydrophobicContact CD1-CZ2 3.38Å; L169-W481 HydrophobicContact CD2-CB 3.8Å; L169-W481 HydrophobicContact CD2-CG 4.17Å; L169-W481 HydrophobicContact CG-CB 4.45Å; L169-W481 HydrophobicContact CG-CG 4.32Å; T476-W481 PolarHBondContact O-N 2.89Å; G477-W481 WeakPolarHBondContact O-CB 3.47Å; W481-R484 PolarHBondContact O-NE 3Å; W481-R484 PolarHBondContact O-NH1 2.8Å; W481-R484 PolarHBondContact O-NH2 3Å; W481-R484 VanDerWaalsContact O-NH2 3.1Å
482	I	94.7	Very high	97.1	Very high	107 Å²	107	70.2 Å²	70.2	55%	0.549	35%	0.346	S	S	.	.	I	π-helix	trans	-88.6	-55.2	175.5	-55.9	169	0	0	0	110.5	I478	I478-I482 WeakPolarHBondContact O-CB 3.5Å; I478-I482 PolarHBondContact O-N 2.87Å
483	L	96.2	Very high	97.1	Very high	81 Å²	81	71 Å²	71	42%	0.424	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.3	-169.9	-56	175.9	0	0	0	115.2	I478 F479 G485 K486	I478-L483 PolarHBondContact O-N 3.41Å; F479-L483 HydrophobicContact CD1-CD1 3.8Å; F479-L483 HydrophobicContact CE1-CD1 4.1Å; F479-L483 CarbonylContact O-C 3.55Å; F479-L483 VanDerWaalsContact O-C 3.29Å; F479-L483 WeakPolarHBondContact O-CB 3.39Å; L483-G485 VanDerWaalsContact C-N 3.28Å; L483-G485 PolarHBondContact O-N 2.99Å; L483-K486 VanDerWaalsContact O-CB 3.3Å; L483-K486 WeakPolarHBondContact O-CB 3.5Å; L483-K486 WeakPolarHBondContact O-CG 3.46Å; L483-K486 PolarHBondContact O-N 3.46Å
484	R	96.4	Very high	97	Very high	107 Å²	107	75.5 Å²	75.5	40%	0.404	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	32.6	174.9	-50.3	-61.7	174.5	-171.2	0.1	114.7	G168 F479 Y480 W481 K486	G168-R484 PolarHBondContact O-NH1 2.76Å; F479-R484 PolarHBondContact O-N 3.14Å; F479-R484 VanDerWaalsContact O-N 3.11Å; Y480-R484 WeakPolarHBondContact O-CA 3.43Å; Y480-R484 WeakPolarHBondContact O-CD 3.43Å; Y480-R484 PolarHBondContact O-N 3.1Å; W481-R484 PolarHBondContact O-NE 3Å; W481-R484 PolarHBondContact O-NH1 2.8Å; W481-R484 PolarHBondContact O-NH2 3Å; W481-R484 VanDerWaalsContact O-NH2 3.1Å; R484-K486 VanDerWaalsContact C-N 3.26Å; R484-K486 PolarHBondContact O-N 2.77Å
485	G	96.2	Very high	96.9	Very high	3 Å²	3	72.5 Å²	72.5	3%	0.031	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	15.7	178.6	0	0	0	0	0	114.3	A455 R457 F479 L483 E487	A455-G485 WeakPolarHBondContact O-CA 3.44Å; R457-G485 PolarHBondContact NH1-O 3.29Å; F479-G485 PolarHBondContact O-N 3.43Å; L483-G485 VanDerWaalsContact C-N 3.28Å; L483-G485 PolarHBondContact O-N 2.99Å; G485-E487 VanDerWaalsContact C-N 3.3Å; G485-E487 WeakPolarHBondContact CA-OE2 3.35Å; G485-E487 PolarHBondContact O-N 2.95Å
486	K	96.6	Very high	96.9	Very high	175 Å²	175	74.6 Å²	74.6	76%	0.761	36%	0.364	S	S	*	.			trans	-86.9	9.9	-176.3	-63.2	-176.4	175.6	-175.1	0	114	L483 R484	L483-K486 VanDerWaalsContact O-CB 3.3Å; L483-K486 WeakPolarHBondContact O-CB 3.5Å; L483-K486 WeakPolarHBondContact O-CG 3.46Å; L483-K486 PolarHBondContact O-N 3.46Å; R484-K486 VanDerWaalsContact C-N 3.26Å; R484-K486 PolarHBondContact O-N 2.77Å
487	E	97.1	Very high	96.9	Very high	13 Å²	13	74 Å²	74	6%	0.061	36%	0.36	C	S	.	.			trans	-56.6	140.5	173.1	58	-95.4	-142.8	0	0	111.6	R457 N458 Y475 F479 G485 W489	R457-E487 PolarHBondContact NH2-O 3.49Å; N458-E487 WeakPolarHBondContact CB-OE1 3.45Å; N458-E487 VanDerWaalsContact ND2-CG 3.26Å; N458-E487 WeakPolarHBondContact ND2-CG 3.09Å; N458-E487 PolarHBondContact ND2-OE1 2.77Å; Y475-E487 PolarHBondContact OH-OE1 3.31Å; F479-E487 HydrophobicContact CD1-CB 4.18Å; G485-E487 VanDerWaalsContact C-N 3.3Å; G485-E487 WeakPolarHBondContact CA-OE2 3.35Å; G485-E487 PolarHBondContact O-N 2.95Å; E487-W489 HydrophobicContact CB-CD2 3.89Å; E487-W489 HydrophobicContact CB-CE3 4.18Å; E487-W489 HydrophobicContact CB-CH2 3.96Å; E487-W489 HydrophobicContact CB-CZ2 3.65Å; E487-W489 HydrophobicContact CB-CZ3 4.21Å; E487-W489 HydrophobicContact CG-CD2 4.18Å; E487-W489 HydrophobicContact CG-CG 4.34Å; E487-W489 HydrophobicContact CG-CZ2 4.17Å; E487-W489 PolarHBondContact O-N 2.79Å
488	P	97.5	Very high	97	Very high	126 Å²	126	72.8 Å²	72.8	82%	0.818	35%	0.348	S	S	*	.	S	Bend	trans	-80.7	31.2	-176.4	34.3	-37.8	0	0	0	113.4
489	W	98.3	Very high	97.1	Very high	113 Å²	113	74.2 Å²	74.2	43%	0.428	36%	0.356	S	S	.	.			trans	-144.9	164.1	179.2	61.2	76.9	0	0	0	112.3	R457 N458 Y475 F479 E487	R457-W489 PolarHBondContact NH2-O 2.82Å; N458-W489 PolarHBondContact ND2-O 3.26Å; Y475-W489 PolarHBondContact OH-NE1 3.06Å; Y475-W489 VanDerWaalsContact OH-NE1 3.11Å; F479-W489 HydrophobicContact CD1-CH2 4.4Å; F479-W489 AromaticContact CD1-CZ2 3.94Å; F479-W489 HydrophobicContact CD1-CZ2 3.94Å; F479-W489 AromaticContact CE1-CH2 3.66Å; F479-W489 HydrophobicContact CE1-CH2 3.66Å; F479-W489 AromaticContact CE1-CZ2 3.44Å; F479-W489 HydrophobicContact CE1-CZ2 3.44Å; F479-W489 VanDerWaalsContact CE1-CZ2 3.44Å; F479-W489 HydrophobicContact CZ-CH2 4.24Å; F479-W489 AromaticContact CZ-CZ2 3.89Å; F479-W489 HydrophobicContact CZ-CZ2 3.89Å; E487-W489 HydrophobicContact CB-CD2 3.89Å; E487-W489 HydrophobicContact CB-CE3 4.18Å; E487-W489 HydrophobicContact CB-CH2 3.96Å; E487-W489 HydrophobicContact CB-CZ2 3.65Å; E487-W489 HydrophobicContact CB-CZ3 4.21Å; E487-W489 HydrophobicContact CG-CD2 4.18Å; E487-W489 HydrophobicContact CG-CG 4.34Å; E487-W489 HydrophobicContact CG-CZ2 4.17Å; E487-W489 PolarHBondContact O-N 2.79Å
490	T	98.6	Very high	97.1	Very high	68 Å²	68	74 Å²	74	42%	0.417	36%	0.356	S	S	.	.			trans	-128.8	123.7	172.4	-59.1	0	0	0	0	108.9	Q377 R457 N458	Q377-T490 HydrophobicContact CG-CG2 3.52Å; R457-T490 HydrophobicContact CG-CG2 4.27Å; R457-T490 PolarHBondContact NE-OG1 3.43Å; N458-T490 WeakPolarHBondContact OD1-CA 3.49Å
491	L	98.6	Very high	97.2	Very high	52 Å²	52	72.9 Å²	72.9	27%	0.272	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-76	151.6	176.2	-62.9	-178.1	0	0	0	110.5	Q377 N458 P461 Y475	Q377-L491 PolarHBondContact NE2-O 3.19Å; N458-L491 HydrophobicContact CB-CD1 4.07Å; N458-L491 HydrophobicContact CB-CG 4.19Å; N458-L491 PolarHBondContact OD1-N 3.48Å; P461-L491 HydrophobicContact CB-CB 3.57Å; P461-L491 HydrophobicContact CB-CD1 4.3Å; P461-L491 HydrophobicContact CG-CB 4.23Å; Y475-L491 HydrophobicContact CE2-CD1 3.98Å
492	K	98.3	Very high	97.3	Very high	159 Å²	159	73.6 Å²	73.6	69%	0.691	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-103	153.7	-178.6	-55.5	-155.9	171.3	-165.8	0	112.6	E272	E272-K492 WeakPolarHBondContact OE1-CA 3.44Å; E272-K492 WeakPolarHBondContact OE1-CB 3.37Å; E272-K492 WeakPolarHBondContact OE1-CD 3.11Å; E272-K492 WeakPolarHBondContact OE1-CG 3.37Å
493	H	98.3	Very high	97.5	Very high	18 Å²	18	70.3 Å²	70.3	8%	0.083	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-81.7	171.4	168.8	-59.6	-75.1	0	0	0	111.6	E272 T275 G374 R460 G495	E272-H493 IonicContact OE2-CD2 2.69Å; E272-H493 PolarHBondContact OE2-CD2 2.82Å; E272-H493 VanDerWaalsContact OE2-CD2 3.29Å; E272-H493 IonicContact OE2-CG 3.53Å; E272-H493 PolarHBondContact OE2-N 3.39Å; T275-H493 HydrophobicContact CG2-CB 4.03Å; G374-H493 WeakPolarHBondContact CA-NE2 3.32Å; G374-H493 PolarHBondContact O-CE1 2.93Å; G374-H493 PolarHBondContact O-NE2 3.18Å; R460-H493 PolarHBondContact NH1-ND1 2.87Å; H493-G495 PolarHBondContact O-N 3.25Å
494	R	93.9	Very high	97.6	Very high	142 Å²	142	66.9 Å²	66.9	54%	0.536	33%	0.326	S	S	.	.			trans	-85.1	20.2	-178.6	-68.5	-178.3	167.5	-171.4	2.2	114.5	H464 Q500	H464-R494 HydrophobicContact CB-CG 4.35Å; H464-R494 PolarHBondContact O-NH2 2.99Å; R494-Q500 PolarHBondContact O-NE2 3.31Å
495	G	95.6	Very high	97.7	Very high	28 Å²	28	70.2 Å²	70.2	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	81.1	-150.8	-172.2	0	0	0	0	0	112.8	H493	H493-G495 PolarHBondContact O-N 3.25Å
496	L	97.7	Very high	97.9	Very high	75 Å²	75	74.8 Å²	74.8	39%	0.393	37%	0.368	S	S	.	.			trans	-70.9	137.9	-175.4	-68.9	166.9	0	0	0	113	P273 A498 N499 Q500	P273-L496 HydrophobicContact CB-CD2 3.67Å; P273-L496 HydrophobicContact CB-CG 4.24Å; P273-L496 HydrophobicContact CG-CD2 4.4Å; P273-L496 HydrophobicContact CG-CG 4.48Å; L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3.28Å; L496-N499 PolarHBondContact O-N 3.21Å; L496-N499 VanDerWaalsContact O-N 3.09Å; L496-Q500 PolarHBondContact O-NE2 3.47Å
497	D	98.6	Very high	97.9	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.027	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-60.1	-38.3	176.8	-67.9	-23.3	0	0	0	113.3	T275 Y276 L332 N499 Q500 I599 K600	T275-D497 WeakPolarHBondContact CA-OD2 3.46Å; T275-D497 WeakPolarHBondContact CB-OD1 3.19Å; Y276-D497 PolarHBondContact N-OD2 3.38Å; L332-D497 HydrophobicContact CB-CB 4.03Å; L332-D497 WeakPolarHBondContact O-CB 3.26Å; D497-N499 PolarHBondContact O-N 2.9Å; D497-Q500 PolarHBondContact O-N 2.88Å; D497-I599 HydrophobicContact CB-CG2 4.33Å; D497-K600 PolarHBondContact O-NZ 2.99Å
498	A	98	Very high	98	Very high	2 Å²	2	75 Å²	75	2%	0.017	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-51.6	-39.5	172	0	0	0	0	0	112.6	L496 Q500 D601 P602 Q604	L496-A498 VanDerWaalsContact C-N 3.33Å; L496-A498 PolarHBondContact O-N 3.28Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.1Å; A498-D601 WeakPolarHBondContact CB-O 3.19Å; A498-P602 WeakPolarHBondContact O-CA 3.47Å; A498-Q604 HydrophobicContact CB-CG 4.04Å
499	N	98	Very high	98	Very high	109 Å²	109	72.4 Å²	72.4	58%	0.583	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-83.8	-1	-173.8	-65	-5.5	0	0	0	113.6	L496 D497	L496-N499 PolarHBondContact O-N 3.21Å; L496-N499 VanDerWaalsContact O-N 3.09Å; D497-N499 PolarHBondContact O-N 2.9Å
500	Q	98.2	Very high	98	Very high	39 Å²	39	69.4 Å²	69.4	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-86.5	-11	-176.3	-51.6	-56.4	-53.7	0	0	114	D333 S335 R494 L496 D497 A498	D333-Q500 HydrophobicContact CB-CG 4.05Å; D333-Q500 WeakPolarHBondContact O-CB 3.22Å; S335-Q500 VanDerWaalsContact CA-O 3.28Å; S335-Q500 WeakPolarHBondContact CA-O 3.36Å; S335-Q500 WeakPolarHBondContact CB-O 3.14Å; R494-Q500 PolarHBondContact O-NE2 3.31Å; L496-Q500 PolarHBondContact O-NE2 3.47Å; D497-Q500 PolarHBondContact O-N 2.88Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.1Å
501	L	98.6	Very high	98	Very high	13 Å²	13	74.6 Å²	74.6	7%	0.068	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-69.7	132.7	178	-73.7	-178.7	0	0	0	111.7	Y334 P337 Y558 P561 P602	Y334-L501 HydrophobicContact CD2-CD2 4.1Å; Y334-L501 HydrophobicContact CE2-CD2 3.72Å; P337-L501 HydrophobicContact CB-CD2 4.23Å; L501-Y558 HydrophobicContact CB-CD1 3.89Å; L501-Y558 HydrophobicContact CB-CE1 3.91Å; L501-Y558 HydrophobicContact CD1-CD1 4.5Å; L501-P561 HydrophobicContact CD1-CB 4.02Å; L501-P561 HydrophobicContact CD1-CG 3.94Å; L501-P602 HydrophobicContact CD1-CB 4.18Å; L501-P602 HydrophobicContact CD1-CG 4.02Å
502	K	98.7	Very high	98	Very high	111 Å²	111	73.8 Å²	73.8	48%	0.483	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-83.2	154.6	166.1	-67	177.6	-178.5	-179.6	0	110.3	S335 P337 Y558	S335-K502 PolarHBondContact O-N 3.04Å; P337-K502 WeakPolarHBondContact CG-O 3.43Å; K502-Y558 WeakPolarHBondContact O-CD1 3.29Å
503	P	98.8	Very high	98	Very high	38 Å²	38	69.9 Å²	69.9	25%	0.247	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-56	143.5	168.9	-22.8	34.2	0	0	0	111.5	K505 D506 I557	P503-K505 VanDerWaalsContact C-N 3.27Å; P503-K505 HydrophobicContact CB-CG 3.96Å; P503-K505 PolarHBondContact O-N 2.97Å; P503-D506 WeakPolarHBondContact CB-OD2 3.39Å; P503-D506 WeakPolarHBondContact CD-OD2 3.28Å; P503-D506 WeakPolarHBondContact CG-OD2 3.32Å; P503-D506 PolarHBondContact O-N 2.61Å; P503-I557 CarbonylContact C-O 3.55Å; P503-I557 WeakPolarHBondContact CA-O 3.27Å; P503-I557 HydrophobicContact CB-CG2 3.96Å; P503-I557 HydrophobicContact CG-CG2 4.23Å
504	A	98.7	Very high	98	Very high	8 Å²	8	78 Å²	78	7%	0.066	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-59.7	-37	-175.5	0	0	0	0	0	112.8	P337 Y338 D506 C507 I557 D559	P337-A504 HydrophobicContact CG-CB 4.03Å; Y338-A504 HydrophobicContact CE2-CB 4.15Å; Y338-A504 WeakPolarHBondContact CE2-O 3.49Å; A504-D506 PolarHBondContact O-N 2.96Å; A504-D506 VanDerWaalsContact O-N 3.16Å; A504-C507 PolarHBondContact O-N 3.34Å; A504-C507 VanDerWaalsContact O-N 3.08Å; A504-C507 VanDerWaalsContact O-O 3.09Å; A504-I557 PolarHBondContact N-O 3.27Å; A504-D559 HydrophobicContact CB-CB 3.73Å
505	K	98.5	Very high	98.2	Very high	178 Å²	178	73.8 Å²	73.8	77%	0.774	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.7	173.9	61.4	166.3	-167	178	0	114.7	P503	P503-K505 VanDerWaalsContact C-N 3.27Å; P503-K505 HydrophobicContact CB-CG 3.96Å; P503-K505 PolarHBondContact O-N 2.97Å
506	D	98.6	Very high	98.3	Very high	99 Å²	99	75.9 Å²	75.9	53%	0.529	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-98.8	8.5	-177.4	-54	-42.1	0	0	0	111.4	P503 A504	P503-D506 WeakPolarHBondContact CB-OD2 3.39Å; P503-D506 WeakPolarHBondContact CD-OD2 3.28Å; P503-D506 WeakPolarHBondContact CG-OD2 3.32Å; P503-D506 PolarHBondContact O-N 2.61Å; A504-D506 PolarHBondContact O-N 2.96Å; A504-D506 VanDerWaalsContact O-N 3.16Å
507	C	98.5	Very high	98.3	Very high	27 Å²	27	74.7 Å²	74.7	18%	0.182	39%	0.387	C	S	.	.	S	Bend	trans	-129.7	152.1	-177.8	-76.4	0	0	0	0	111.9	Y338 A504	Y338-C507 HydrophobicContact CD2-CB 4.17Å; Y338-C507 HydrophobicContact CE2-CB 4.25Å; A504-C507 PolarHBondContact O-N 3.34Å; A504-C507 VanDerWaalsContact O-N 3.08Å; A504-C507 VanDerWaalsContact O-O 3.09Å
508	K	98	Very high	98.3	Very high	166 Å²	166	82 Å²	82	72%	0.722	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-89.1	131.1	172.4	-169.1	-176.3	172.3	-178	0	109.7	N336	N336-K508 PolarHBondContact ND2-O 3.21Å
509	P	98.4	Very high	98.3	Very high	71 Å²	71	82.6 Å²	82.6	46%	0.461	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-54.4	142.8	166.9	-25.5	33.7	0	0	0	112.5	Y338	Y338-P509 HydrophobicContact CD1-CB 4.19Å; Y338-P509 HydrophobicContact CD1-CG 4.31Å; Y338-P509 HydrophobicContact CD2-CB 4.3Å; Y338-P509 HydrophobicContact CD2-CG 4.13Å; Y338-P509 HydrophobicContact CE1-CB 4.37Å; Y338-P509 HydrophobicContact CE1-CG 4.02Å; Y338-P509 HydrophobicContact CE2-CB 4.48Å; Y338-P509 HydrophobicContact CE2-CG 3.83Å; Y338-P509 HydrophobicContact CG-CB 4.15Å; Y338-P509 HydrophobicContact CG-CG 4.36Å
510	I	98.3	Very high	98.3	Very high	50 Å²	50	77.7 Å²	77.7	26%	0.256	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-97.6	117.7	177.6	-60.4	169.6	0	0	0	108.6	L339 Y512	L339-I510 HydrophobicContact CB-CD1 3.99Å; L339-I510 HydrophobicContact CD1-CD1 4.5Å; L339-I510 HydrophobicContact CG-CD1 4.36Å; I510-Y512 HydrophobicContact CB-CD2 4.43Å; I510-Y512 HydrophobicContact CB-CE2 3.85Å; I510-Y512 HydrophobicContact CG2-CD1 4.12Å; I510-Y512 HydrophobicContact CG2-CD2 4.2Å; I510-Y512 HydrophobicContact CG2-CE1 3.65Å; I510-Y512 HydrophobicContact CG2-CE2 3.75Å; I510-Y512 HydrophobicContact CG2-CG 4.37Å; I510-Y512 VanDerWaalsContact CG2-CZ 3.44Å; I510-Y512 WeakPolarHBondContact O-CD2 3.3Å; I510-Y512 PolarHBondContact O-N 3.29Å
511	E	97.9	Very high	98.3	Very high	177 Å²	177	77.3 Å²	77.3	83%	0.827	39%	0.393	S	S	*	.			trans	-78.4	99.3	176.2	-71.5	178.4	-162.1	0	0	110.2
512	Y	98.4	Very high	98.3	Very high	34 Å²	34	80 Å²	80	13%	0.133	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-86.3	130.5	176.4	-69.6	-67.6	0	0	0	111.8	S340 R343 E344 I510	S340-Y512 PolarHBondContact N-OH 3.23Å; S340-Y512 VanDerWaalsContact N-OH 3.1Å; R343-Y512 HydrophobicContact CB-CD1 3.4Å; R343-Y512 HydrophobicContact CB-CD2 3.7Å; R343-Y512 HydrophobicContact CB-CE1 3.69Å; R343-Y512 HydrophobicContact CB-CE2 3.95Å; R343-Y512 HydrophobicContact CB-CG 3.41Å; R343-Y512 VanDerWaalsContact CB-CG 3.41Å; R343-Y512 HydrophobicContact CG-CD2 4.08Å; R343-Y512 HydrophobicContact CG-CG 4.08Å; R343-Y512 PolarHBondContact NH2-O 3.1Å; E344-Y512 VanDerWaalsContact CD-CE1 3.45Å; E344-Y512 HydrophobicContact CG-CE1 4.1Å; E344-Y512 VanDerWaalsContact OE1-CE1 3.22Å; E344-Y512 WeakPolarHBondContact OE1-CE1 2.96Å; E344-Y512 VanDerWaalsContact OE1-CZ 3.31Å; E344-Y512 PolarHBondContact OE1-OH 3.28Å; I510-Y512 HydrophobicContact CB-CD2 4.43Å; I510-Y512 HydrophobicContact CB-CE2 3.85Å; I510-Y512 HydrophobicContact CG2-CD1 4.12Å; I510-Y512 HydrophobicContact CG2-CD2 4.2Å; I510-Y512 HydrophobicContact CG2-CE1 3.65Å; I510-Y512 HydrophobicContact CG2-CE2 3.75Å; I510-Y512 HydrophobicContact CG2-CG 4.37Å; I510-Y512 VanDerWaalsContact CG2-CZ 3.44Å; I510-Y512 WeakPolarHBondContact O-CD2 3.3Å; I510-Y512 PolarHBondContact O-N 3.29Å
513	P	97.8	Very high	98.3	Very high	77 Å²	77	76.4 Å²	76.4	50%	0.5	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-52.4	149.3	171.5	-26.6	34.8	0	0	0	112.4	R343	R343-P513 PolarHBondContact NH2-O 2.96Å
514	K	98.2	Very high	98.2	Very high	189 Å²	189	80.3 Å²	80.3	82%	0.822	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-67.6	143.4	168	-67.3	-177.3	179.1	-179.4	0	109.1
515	P	98.3	Very high	98.2	Very high	54 Å²	54	81.8 Å²	81.8	35%	0.351	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-62.7	144.7	174	26.8	-33.3	0	0	0	111	S520 D522	P515-S520 WeakPolarHBondContact CA-OG 3.33Å; P515-S520 VanDerWaalsContact CB-O 3.32Å; P515-S520 WeakPolarHBondContact CB-O 3.39Å; P515-D522 HydrophobicContact CG-CB 4.24Å
516	D	98.2	Very high	98.2	Very high	71 Å²	71	73.3 Å²	73.3	38%	0.38	39%	0.385	S	S	.	.			trans	-92.7	-8.7	-179.8	72.3	-15.9	0	0	0	113.5	H350 K518 I519 S520	H350-D516 IonicContact CE1-OD2 3.47Å; H350-D516 PolarHBondContact CE1-OD2 2.81Å; H350-D516 IonicContact NE2-OD1 3.47Å; H350-D516 IonicContact NE2-OD2 3.87Å; D516-K518 PolarHBondContact O-N 3.35Å; D516-K518 PolarHBondContact OD1-N 2.87Å; D516-I519 PolarHBondContact OD1-N 2.79Å; D516-I519 PolarHBondContact OD2-N 3.31Å; D516-S520 PolarHBondContact N-O 3.32Å; D516-S520 PolarHBondContact N-OG 3.28Å; D516-S520 VanDerWaalsContact N-OG 3.13Å; D516-S520 PolarHBondContact OD1-N 2.64Å; D516-S520 VanDerWaalsContact OD1-O 3.1Å; D516-S520 PolarHBondContact OD1-OG 3.44Å
517	G	97.9	Very high	98.1	Very high	51 Å²	51	69.1 Å²	69.1	53%	0.526	36%	0.363	S	S	.	.	S	Bend	trans	72.1	12.8	-177	0	0	0	0	0	114	S520 F521	G517-S520 WeakPolarHBondContact CA-O 3.48Å; G517-S520 PolarHBondContact N-O 2.98Å; G517-F521 VanDerWaalsContact C-CE1 3.5Å; G517-F521 WeakPolarHBondContact O-CE1 3.49Å
518	K	98	Very high	98.1	Very high	158 Å²	158	71.4 Å²	71.4	69%	0.687	38%	0.384	S	S	*	.	S	Bend	trans	-129.5	-54.4	-176.7	-62.7	-178.6	-178	-179.7	0	112.2	W284 D516 F521	W284-K518 VanDerWaalsContact CH2-O 3.29Å; W284-K518 WeakPolarHBondContact CH2-O 3.48Å; D516-K518 PolarHBondContact O-N 3.35Å; D516-K518 PolarHBondContact OD1-N 2.87Å; K518-F521 WeakPolarHBondContact O-CZ 3.45Å
519	I	98.2	Very high	98.2	Very high	15 Å²	15	66.4 Å²	66.4	8%	0.077	36%	0.364	C	S	.	.	S	Bend	trans	-103.2	-38.3	176.4	-65.1	177.2	0	0	0	109.4	K349 A355 E359 D516	K349-I519 HydrophobicContact CB-CG2 3.62Å; K349-I519 WeakPolarHBondContact CE-O 3.13Å; K349-I519 PolarHBondContact NZ-O 3.26Å; K349-I519 WeakPolarHBondContact O-CG2 3.42Å; A355-I519 HydrophobicContact CB-CD1 4.01Å; E359-I519 HydrophobicContact CG-CD1 4.11Å; D516-I519 PolarHBondContact OD1-N 2.79Å; D516-I519 PolarHBondContact OD2-N 3.31Å
520	S	98.7	Very high	98.2	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.035	34%	0.344	C	S	.	.	S	Bend	trans	-121.4	142.7	-179.3	58.2	0	0	0	0	112	Q346 H350 P515 D516 G517	Q346-S520 WeakPolarHBondContact O-CB 3.43Å; H350-S520 WeakPolarHBondContact NE2-CB 3.38Å; H350-S520 PolarHBondContact NE2-OG 2.99Å; P515-S520 WeakPolarHBondContact CA-OG 3.33Å; P515-S520 VanDerWaalsContact CB-O 3.32Å; P515-S520 WeakPolarHBondContact CB-O 3.39Å; D516-S520 PolarHBondContact N-O 3.32Å; D516-S520 PolarHBondContact N-OG 3.28Å; D516-S520 VanDerWaalsContact N-OG 3.13Å; D516-S520 PolarHBondContact OD1-N 2.64Å; D516-S520 VanDerWaalsContact OD1-O 3.1Å; D516-S520 PolarHBondContact OD1-OG 3.44Å; G517-S520 WeakPolarHBondContact CA-O 3.48Å; G517-S520 PolarHBondContact N-O 2.98Å
521	F	98.8	Very high	98.1	Very high	31 Å²	31	62.7 Å²	62.7	14%	0.136	35%	0.351	C	S	.	.			trans	-131.2	161.3	-171.7	-56.9	-88.9	0	0	0	111.6	W284 F342 R363 G517 K518	W284-F521 AromaticContact CH2-CE2 3.66Å; W284-F521 HydrophobicContact CH2-CE2 3.66Å; W284-F521 HydrophobicContact CH2-CZ 4.12Å; W284-F521 AromaticContact CZ2-CE2 3.71Å; W284-F521 HydrophobicContact CZ2-CE2 3.71Å; F342-F521 WeakPolarHBondContact CZ-O 3.43Å; R363-F521 HydrophobicContact CB-CE2 4.08Å; R363-F521 HydrophobicContact CB-CZ 4.25Å; R363-F521 VanDerWaalsContact NH2-CB 3.33Å; G517-F521 VanDerWaalsContact C-CE1 3.5Å; G517-F521 WeakPolarHBondContact O-CE1 3.49Å; K518-F521 WeakPolarHBondContact O-CZ 3.45Å
522	D	98.3	Very high	98.2	Very high	69 Å²	69	55 Å²	55	37%	0.369	32%	0.317	S	S	.	.			trans	-74.4	171.1	171.1	70.7	96.4	0	0	0	111.8	F342 P515 L524 S525 S526	F342-D522 WeakPolarHBondContact CZ-O 3.29Å; P515-D522 HydrophobicContact CG-CB 4.24Å; D522-L524 WeakPolarHBondContact OD1-CA 3.15Å; D522-L524 WeakPolarHBondContact OD1-CB 3.29Å; D522-L524 PolarHBondContact OD1-N 2.9Å; D522-S525 VanDerWaalsContact CG-OG 3.3Å; D522-S525 PolarHBondContact O-OG 2.98Å; D522-S525 PolarHBondContact OD1-N 2.87Å; D522-S525 VanDerWaalsContact OD2-CB 3.24Å; D522-S525 WeakPolarHBondContact OD2-CB 3.23Å; D522-S525 PolarHBondContact OD2-OG 3.47Å; D522-S526 WeakPolarHBondContact O-CB 3.37Å; D522-S526 PolarHBondContact O-N 2.78Å; D522-S526 PolarHBondContact O-OG 2.93Å
523	L	98.3	Very high	98.1	Very high	37 Å²	37	57.7 Å²	57.7	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-34.5	-175.6	-165.9	54.2	0	0	0	112.8	F342 S526 V527 P567	F342-L523 HydrophobicContact CB-CD1 4.43Å; F342-L523 HydrophobicContact CD1-CB 4.49Å; F342-L523 HydrophobicContact CD1-CD1 3.85Å; F342-L523 HydrophobicContact CD2-CD1 3.67Å; F342-L523 HydrophobicContact CE1-CB 4.09Å; F342-L523 HydrophobicContact CE1-CD1 3.97Å; F342-L523 HydrophobicContact CE2-CD1 3.79Å; F342-L523 HydrophobicContact CG-CD1 3.7Å; F342-L523 HydrophobicContact CZ-CB 4.36Å; F342-L523 HydrophobicContact CZ-CD1 3.95Å; L523-S526 WeakPolarHBondContact O-CB 3.08Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-V527 WeakPolarHBondContact O-CG2 3.39Å; L523-V527 PolarHBondContact O-N 2.95Å; L523-P567 WeakPolarHBondContact CD1-O 3.46Å
524	L	96.8	Very high	98.1	Very high	119 Å²	119	54.4 Å²	54.4	62%	0.623	31%	0.311	S	S	*	.	H	α-helix	trans	-74.5	-44	-175.3	-60.6	176.5	0	0	0	111.4	D522 S526 V527 A528	D522-L524 WeakPolarHBondContact OD1-CA 3.15Å; D522-L524 WeakPolarHBondContact OD1-CB 3.29Å; D522-L524 PolarHBondContact OD1-N 2.9Å; L524-S526 PolarHBondContact O-N 3.29Å; L524-V527 PolarHBondContact O-N 2.85Å; L524-A528 PolarHBondContact O-N 3.23Å
525	S	97.4	Very high	98	Very high	40 Å²	40	50.2 Å²	50.2	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-25.9	171.8	68.3	0	0	0	0	112.6	R363 D522 L529	R363-S525 PolarHBondContact NH2-O 2.9Å; R363-S525 PolarHBondContact NH2-OG 3.38Å; D522-S525 VanDerWaalsContact CG-OG 3.3Å; D522-S525 PolarHBondContact O-OG 2.98Å; D522-S525 PolarHBondContact OD1-N 2.87Å; D522-S525 VanDerWaalsContact OD2-CB 3.24Å; D522-S525 WeakPolarHBondContact OD2-CB 3.23Å; D522-S525 PolarHBondContact OD2-OG 3.47Å; S525-L529 PolarHBondContact O-N 3Å
526	S	98.6	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.7	-47.5	171.7	-55.2	0	0	0	0	111.4	F342 R363 Y366 D522 L523 L524 A528 L529 S530	F342-S526 WeakPolarHBondContact CE2-OG 3.41Å; F342-S526 WeakPolarHBondContact CZ-OG 3.48Å; R363-S526 PolarHBondContact NH1-OG 2.69Å; R363-S526 PolarHBondContact NH2-OG 2.74Å; Y366-S526 WeakPolarHBondContact CB-O 3.35Å; Y366-S526 VanDerWaalsContact CD1-C 3.45Å; Y366-S526 WeakPolarHBondContact CD1-O 3.4Å; D522-S526 WeakPolarHBondContact O-CB 3.37Å; D522-S526 PolarHBondContact O-N 2.78Å; D522-S526 PolarHBondContact O-OG 2.93Å; L523-S526 WeakPolarHBondContact O-CB 3.08Å; L523-S526 PolarHBondContact O-N 2.92Å; L524-S526 PolarHBondContact O-N 3.29Å; S526-A528 VanDerWaalsContact C-N 3.29Å; S526-A528 PolarHBondContact O-N 3.2Å; S526-L529 PolarHBondContact O-N 3.31Å; S526-S530 PolarHBondContact O-N 2.87Å
527	V	98.3	Very high	97.7	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-57.1	-41.5	175	170.7	0	0	0	0	111.4	L523 L524 L529 S530 T532 A568 N590	L523-V527 WeakPolarHBondContact O-CG2 3.39Å; L523-V527 PolarHBondContact O-N 2.95Å; L524-V527 PolarHBondContact O-N 2.85Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 2.97Å; V527-S530 WeakPolarHBondContact O-CB 3.31Å; V527-S530 PolarHBondContact O-N 3.28Å; V527-S530 PolarHBondContact O-OG 3.22Å; V527-T532 HydrophobicContact CG1-CG2 3.72Å; V527-A568 HydrophobicContact CG2-CB 3.74Å; V527-N590 HydrophobicContact CG1-CB 4.26Å
528	A	98.3	Very high	97.7	Very high	74 Å²	74	47.5 Å²	47.5	61%	0.612	27%	0.272	S	S	*	.	H	α-helix	trans	-56.2	-41.2	174.5	0	0	0	0	0	112.8	L524 S526 S530 G531	L524-A528 PolarHBondContact O-N 3.23Å; S526-A528 VanDerWaalsContact C-N 3.29Å; S526-A528 PolarHBondContact O-N 3.2Å; A528-S530 PolarHBondContact O-N 3.29Å; A528-G531 PolarHBondContact O-N 2.87Å; A528-G531 VanDerWaalsContact O-N 3.1Å
529	L	98.6	Very high	97.7	Very high	61 Å²	61	40.4 Å²	40.4	32%	0.319	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.6	176.4	-67.2	-177.6	0	0	0	114.8	R363 A365 Y366 S525 S526 V527	R363-L529 HydrophobicContact CG-CD1 3.97Å; A365-L529 WeakPolarHBondContact CA-O 3.37Å; Y366-L529 PolarHBondContact N-O 2.96Å; S525-L529 PolarHBondContact O-N 3Å; S526-L529 PolarHBondContact O-N 3.31Å; V527-L529 VanDerWaalsContact C-N 3.29Å; V527-L529 PolarHBondContact O-N 2.97Å
530	S	98.4	Very high	97.6	Very high	3 Å²	3	40 Å²	40	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-12.9	165	74.3	0	0	0	0	113.2	Y366 S526 V527 A528 T532 A618	Y366-S530 WeakPolarHBondContact O-CA 3.42Å; Y366-S530 VanDerWaalsContact O-CB 3.26Å; Y366-S530 WeakPolarHBondContact O-CB 3.4Å; S526-S530 PolarHBondContact O-N 2.87Å; V527-S530 WeakPolarHBondContact O-CB 3.31Å; V527-S530 PolarHBondContact O-N 3.28Å; V527-S530 PolarHBondContact O-OG 3.22Å; A528-S530 PolarHBondContact O-N 3.29Å; S530-T532 PolarHBondContact O-N 2.82Å; S530-T532 VanDerWaalsContact O-N 3.12Å; S530-T532 WeakPolarHBondContact OG-CB 3.11Å; S530-T532 VanDerWaalsContact OG-CG2 3.27Å; S530-T532 WeakPolarHBondContact OG-CG2 3.33Å; S530-T532 PolarHBondContact OG-N 3.47Å; S530-A618 PolarHBondContact O-N 2.75Å
531	G	98.1	Very high	97.6	Very high	40 Å²	40	39.9 Å²	39.9	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	15.9	-172	0	0	0	0	0	114.1	A528 N533 A618	A528-G531 PolarHBondContact O-N 2.87Å; A528-G531 VanDerWaalsContact O-N 3.1Å; G531-N533 PolarHBondContact O-N 2.84Å; G531-A618 WeakPolarHBondContact O-CB 3.32Å
532	T	98.2	Very high	97.6	Very high	17 Å²	17	38.5 Å²	38.5	10%	0.104	23%	0.234	C	C	.	.			trans	-68	132.9	-175.1	-163.9	0	0	0	0	111.7	V527 S530 N590 C591 V592 G616	V527-T532 HydrophobicContact CG1-CG2 3.72Å; S530-T532 PolarHBondContact O-N 2.82Å; S530-T532 VanDerWaalsContact O-N 3.12Å; S530-T532 WeakPolarHBondContact OG-CB 3.11Å; S530-T532 VanDerWaalsContact OG-CG2 3.27Å; S530-T532 WeakPolarHBondContact OG-CG2 3.33Å; S530-T532 PolarHBondContact OG-N 3.47Å; T532-N590 WeakPolarHBondContact CG2-O 3.27Å; T532-C591 PolarHBondContact OG1-O 3.4Å; T532-V592 HydrophobicContact CG2-CG1 3.99Å; T532-G616 VanDerWaalsContact CA-O 3.3Å; T532-G616 WeakPolarHBondContact CA-O 3.38Å; T532-G616 PolarHBondContact OG1-O 3.36Å
533	N	97.3	Very high	97.6	Very high	90 Å²	90	35.2 Å²	35.2	48%	0.481	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-151.6	159.2	174.5	-172.5	45.5	0	0	0	111.3	G531 Q589 G615 G616	G531-N533 PolarHBondContact O-N 2.84Å; N533-Q589 PolarHBondContact OD1-NE2 2.97Å; N533-G615 WeakPolarHBondContact O-CA 3.22Å; N533-G616 PolarHBondContact N-O 2.97Å; N533-G616 PolarHBondContact O-N 3.32Å
534	H	97.9	Very high	97.7	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	21%	0.208	C	C	.	.			trans	-143.6	162.3	173.5	-57.2	77.4	0	0	0	108.6	G536 H541 Q589 C591 H593 G616	H534-G536 PolarHBondContact O-N 3.33Å; H534-H541 AromaticContact NE2-CE1 3.65Å; H534-Q589 HydrophobicContact CB-CG 4.41Å; H534-Q589 PolarHBondContact ND1-O 2.91Å; H534-C591 PolarHBondContact CE1-O 2.92Å; H534-H593 AromaticContact NE2-NE2 3.76Å; H534-G616 PolarHBondContact NE2-N 2.84Å
535	E	95.8	Very high	97.7	Very high	101 Å²	101	33.9 Å²	33.9	47%	0.472	20%	0.204	S	C	.	.			trans	-58.3	127.8	161.3	174.6	45.8	-114.8	0	0	108.7	D537 Q538	E535-D537 PolarHBondContact OE1-N 2.88Å; E535-Q538 WeakPolarHBondContact O-CG 3.48Å; E535-Q538 PolarHBondContact O-NE2 3.05Å
536	G	93	Very high	97.8	Very high	35 Å²	35	34.2 Å²	34.2	36%	0.361	20%	0.203	S	C	.	.	S	Bend	trans	-78.6	-25.2	-172.1	0	0	0	0	0	113.5	H534	H534-G536 PolarHBondContact O-N 3.33Å
537	D	96.8	Very high	97.7	Very high	67 Å²	67	36.1 Å²	36.1	36%	0.358	21%	0.213	S	C	.	.	S	Bend	trans	-98.7	61	173.7	-179.2	38.9	0	0	0	111.2	I226 K228 K233 E535	I226-D537 VanDerWaalsContact O-O 3.12Å; K228-D537 WeakPolarHBondContact CB-OD1 3.26Å; K228-D537 PolarHBondContact N-OD1 3.19Å; K233-D537 VanDerWaalsContact CE-O 3.29Å; K233-D537 WeakPolarHBondContact CE-O 3.41Å; K233-D537 WeakPolarHBondContact CE-OD2 3.34Å; K233-D537 PolarHBondContact NZ-O 2.75Å; K233-D537 IonicContact NZ-OD2 3.56Å; K233-D537 PolarHBondContact NZ-OD2 3.06Å; E535-D537 PolarHBondContact OE1-N 2.88Å
538	Q	97.5	Very high	97.6	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.075	24%	0.235	C	C	.	.	S	Bend	trans	-132.4	155.7	168.2	78.3	-177	-99.6	0	0	110.8	I226 E535	I226-Q538 WeakPolarHBondContact O-CA 3.46Å; E535-Q538 WeakPolarHBondContact O-CG 3.48Å; E535-Q538 PolarHBondContact O-NE2 3.05Å
539	P	97.8	Very high	97.6	Very high	9 Å²	9	41 Å²	41	6%	0.058	22%	0.217	C	C	.	.			trans	-57.6	137.8	176.2	-23.8	33.2	0	0	0	111.4	H50 I226 A227 H541	H50-P539 HydrophobicContact CB-CB 4.13Å; I226-P539 HydrophobicContact CB-CG 4.22Å; I226-P539 HydrophobicContact CG2-CG 3.59Å; I226-P539 WeakPolarHBondContact O-CD 3.37Å; A227-P539 VanDerWaalsContact O-CD 3.31Å; A227-P539 WeakPolarHBondContact O-CD 3.37Å; A227-P539 WeakPolarHBondContact O-CG 3.32Å; P539-H541 PolarHBondContact O-N 3.21Å
540	P	98.1	Very high	97.6	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.052	20%	0.202	C	C	.	.			trans	-58.6	116.1	177	-26.7	36.2	0	0	0	112.3	L542 I586 A588	P540-L542 PolarHBondContact O-N 3.06Å; P540-L542 VanDerWaalsContact O-N 3.1Å; P540-I586 HydrophobicContact CB-CG2 4.13Å; P540-A588 HydrophobicContact CB-CB 4.14Å
541	H	98.6	Very high	97.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	22%	0.215	C	C	.	.	S	Bend	trans	-69.7	-1.2	174.2	71.5	-98.5	0	0	0	113.5	H534 P539 T543 C591 H593 W608 V609 P611	H534-H541 AromaticContact NE2-CE1 3.65Å; P539-H541 PolarHBondContact O-N 3.21Å; H541-T543 PolarHBondContact O-N 2.78Å; H541-C591 WeakPolarHBondContact NE2-CB 3.44Å; H541-C591 PolarHBondContact NE2-SG 3.42Å; H541-H593 AromaticContact NE2-CD2 3.89Å; H541-W608 AromaticContact CD2-CD1 3.87Å; H541-W608 AromaticContact CD2-CE2 3.87Å; H541-W608 AromaticContact CD2-NE1 3.32Å; H541-W608 PolarHBondContact CD2-NE1 3.16Å; H541-W608 VanDerWaalsContact CD2-NE1 3.32Å; H541-W608 AromaticContact NE2-NE1 3.38Å; H541-W608 PolarHBondContact NE2-NE1 2.83Å; H541-V609 HydrophobicContact CB-CG2 4.03Å; H541-V609 PolarHBondContact CD2-O 2.99Å; H541-V609 WeakPolarHBondContact O-CG2 3.43Å; H541-V609 PolarHBondContact O-N 3.09Å; H541-P611 HydrophobicContact CB-CB 4.14Å
542	L	98.6	Very high	97.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	69.3	170	-62.4	-43.3	0	0	0	108.6	P540 V570 Y571 I586 A588 C591 W608	P540-L542 PolarHBondContact O-N 3.06Å; P540-L542 VanDerWaalsContact O-N 3.1Å; L542-V570 HydrophobicContact CD2-CG1 3.93Å; L542-V570 HydrophobicContact CG-CG1 4Å; L542-Y571 HydrophobicContact CB-CE1 4.3Å; L542-Y571 WeakPolarHBondContact CB-OH 3.42Å; L542-Y571 WeakPolarHBondContact CD1-OH 3.22Å; L542-Y571 WeakPolarHBondContact CG-OH 3.31Å; L542-I586 HydrophobicContact CB-CD1 4.37Å; L542-I586 HydrophobicContact CB-CG2 3.95Å; L542-I586 HydrophobicContact CD2-CG2 4.12Å; L542-I586 HydrophobicContact CG-CG2 4.26Å; L542-I586 WeakPolarHBondContact O-CD1 3.36Å; L542-A588 HydrophobicContact CD2-CB 3.78Å; L542-C591 HydrophobicContact CD2-CB 4.27Å; L542-W608 VanDerWaalsContact CD1-CD1 3.43Å; L542-W608 HydrophobicContact CD1-CG 4.43Å
543	T	98.6	Very high	97.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.6	-171.1	67.7	0	0	0	0	111.7	H50 I53 H541 I606 N607 V609	H50-T543 HydrophobicContact CB-CG2 3.47Å; H50-T543 VanDerWaalsContact CB-CG2 3.47Å; I53-T543 HydrophobicContact CG1-CG2 4.41Å; H541-T543 PolarHBondContact O-N 2.78Å; T543-I606 CarbonylContact O-C 3.54Å; T543-I606 WeakPolarHBondContact O-CA 3.34Å; T543-N607 PolarHBondContact N-O 3.24Å; T543-N607 VanDerWaalsContact N-O 3.11Å; T543-N607 PolarHBondContact O-N 3.46Å; T543-N607 PolarHBondContact OG1-O 3.02Å; T543-V609 HydrophobicContact CG2-CG2 3.95Å
544	L	98.6	Very high	97.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142	171.8	-51.3	177.1	0	0	0	109.4	I47 T48 P550 L584 I586 I606	I47-L544 HydrophobicContact CB-CD1 4.46Å; I47-L544 HydrophobicContact CG2-CD1 4.15Å; T48-L544 WeakPolarHBondContact OG1-CB 3.49Å; T48-L544 PolarHBondContact OG1-N 2.94Å; T48-L544 PolarHBondContact OG1-O 2.7Å; L544-P550 HydrophobicContact CD1-CG 3.82Å; L544-P550 HydrophobicContact CD2-CG 4.48Å; L544-L584 HydrophobicContact CD1-CD2 4.09Å; L544-I586 HydrophobicContact CD1-CD1 4.32Å; L544-I586 HydrophobicContact CD2-CD1 4.47Å; L544-I586 HydrophobicContact CG-CD1 4.32Å; L544-I606 HydrophobicContact CD2-CG1 3.62Å
545	K	98.3	Very high	97.6	Very high	127 Å²	127	43.5 Å²	43.5	55%	0.552	22%	0.215	S	C	*	.	S	Bend	trans	-74	-31.7	171.5	-62.2	166.1	-171.8	167.7	0	111.6	Q604 N605	K545-Q604 WeakPolarHBondContact CE-O 3.11Å; K545-Q604 PolarHBondContact NZ-O 3.06Å; K545-N605 WeakPolarHBondContact CB-OD1 3.48Å; K545-N605 WeakPolarHBondContact CG-O 3.44Å; K545-N605 PolarHBondContact N-O 3.43Å; K545-N605 PolarHBondContact N-OD1 2.87Å; K545-N605 VanDerWaalsContact N-OD1 3.11Å
546	D	97.9	Very high	97.7	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.251	22%	0.223	S	C	.	.			trans	-143	120.1	172.1	-170	-35.6	0	0	0	109.4	R548 I549 N605	D546-R548 PolarHBondContact O-N 3.04Å; D546-R548 VanDerWaalsContact OD1-CB 3.3Å; D546-R548 WeakPolarHBondContact OD1-CB 3.24Å; D546-R548 WeakPolarHBondContact OD1-CG 3.49Å; D546-R548 IonicContact OD1-CZ 3.81Å; D546-R548 PolarHBondContact OD1-N 3.22Å; D546-R548 IonicContact OD1-NE 2.97Å; D546-R548 PolarHBondContact OD1-NE 3.34Å; D546-R548 IonicContact OD1-NH2 3.8Å; D546-R548 IonicContact OD2-CZ 3.42Å; D546-R548 IonicContact OD2-NE 3.37Å; D546-R548 PolarHBondContact OD2-NE 2.59Å; D546-R548 IonicContact OD2-NH2 2.69Å; D546-R548 PolarHBondContact OD2-NH2 3.48Å; D546-I549 HydrophobicContact CB-CG1 3.82Å; D546-N605 PolarHBondContact N-OD1 3.45Å; D546-N605 PolarHBondContact O-ND2 3.45Å; D546-N605 PolarHBondContact O-OD1 3.03Å
547	D	97.2	Very high	98	Very high	40 Å²	40	44 Å²	44	21%	0.214	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	-177.8	-80	-4.4	0	0	0	113.6	I47 T48 P550	I47-D547 HydrophobicContact CD1-CB 4.47Å; I47-D547 PolarHBondContact N-OD2 3.3Å; T48-D547 VanDerWaalsContact CB-OD1 3.25Å; T48-D547 WeakPolarHBondContact CB-OD1 3.32Å; T48-D547 PolarHBondContact N-OD1 2.98Å; T48-D547 PolarHBondContact N-OD2 3.22Å; T48-D547 VanDerWaalsContact N-OD2 3.13Å; T48-D547 PolarHBondContact OG1-OD1 3.44Å; D547-P550 WeakPolarHBondContact O-CD 3.45Å
548	R	96.4	Very high	98.1	Very high	142 Å²	142	42.5 Å²	42.5	54%	0.536	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-33.5	-176.9	-57.4	172	-67.6	161	-1.3	113.5	D546 P550 V551 E552	D546-R548 PolarHBondContact O-N 3.04Å; D546-R548 VanDerWaalsContact OD1-CB 3.3Å; D546-R548 WeakPolarHBondContact OD1-CB 3.24Å; D546-R548 WeakPolarHBondContact OD1-CG 3.49Å; D546-R548 IonicContact OD1-CZ 3.81Å; D546-R548 PolarHBondContact OD1-N 3.22Å; D546-R548 IonicContact OD1-NE 2.97Å; D546-R548 PolarHBondContact OD1-NE 3.34Å; D546-R548 IonicContact OD1-NH2 3.8Å; D546-R548 IonicContact OD2-CZ 3.42Å; D546-R548 IonicContact OD2-NE 3.37Å; D546-R548 PolarHBondContact OD2-NE 2.59Å; D546-R548 IonicContact OD2-NH2 2.69Å; D546-R548 PolarHBondContact OD2-NH2 3.48Å; R548-P550 VanDerWaalsContact C-N 3.32Å; R548-V551 PolarHBondContact O-N 2.77Å; R548-E552 HydrophobicContact CB-CG 4.21Å; R548-E552 PolarHBondContact O-N 2.8Å
549	I	98.2	Very high	98.1	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-53.1	-36.5	-175.1	-70.8	-68.5	0	0	0	114.3	D546 V551 K553 N554 S603 N605	D546-I549 HydrophobicContact CB-CG1 3.82Å; I549-V551 PolarHBondContact O-N 3.45Å; I549-K553 HydrophobicContact CG2-CB 4.37Å; I549-K553 WeakPolarHBondContact O-CA 3.5Å; I549-K553 WeakPolarHBondContact O-CB 3.18Å; I549-K553 PolarHBondContact O-N 2.87Å; I549-N554 PolarHBondContact O-N 3.34Å; I549-N554 VanDerWaalsContact O-N 3.1Å; I549-S603 VanDerWaalsContact CG2-CB 3.48Å; I549-N605 HydrophobicContact CB-CB 4.49Å; I549-N605 HydrophobicContact CG2-CB 3.9Å
550	P	98	Very high	98.1	Very high	2 Å²	2	44 Å²	44	1%	0.013	22%	0.22	C	C	.	.	I	π-helix	trans	-55.8	-52.3	173.7	-25.2	35.2	0	0	0	111.8	L544 D547 R548 N554 L555 Y573 L584	L544-P550 HydrophobicContact CD1-CG 3.82Å; L544-P550 HydrophobicContact CD2-CG 4.48Å; D547-P550 WeakPolarHBondContact O-CD 3.45Å; R548-P550 VanDerWaalsContact C-N 3.32Å; P550-N554 CarbonylContact O-C 3.57Å; P550-N554 WeakPolarHBondContact O-CA 3.29Å; P550-N554 WeakPolarHBondContact O-CB 3.45Å; P550-N554 PolarHBondContact O-N 3.3Å; P550-L555 PolarHBondContact O-N 3.5Å; P550-Y573 WeakPolarHBondContact CA-OH 3.38Å; P550-Y573 HydrophobicContact CB-CE1 4.34Å; P550-Y573 WeakPolarHBondContact CB-OH 3.39Å; P550-Y573 PolarHBondContact O-OH 3.04Å; P550-L584 HydrophobicContact CB-CB 4.18Å; P550-L584 HydrophobicContact CB-CD2 3.72Å; P550-L584 HydrophobicContact CB-CG 4.45Å; P550-L584 HydrophobicContact CG-CD2 3.7Å
551	V	97.3	Very high	98.2	Very high	46 Å²	46	43.6 Å²	43.6	28%	0.279	22%	0.218	S	C	.	.	I	π-helix	trans	-72.4	-51.4	179.9	-177	0	0	0	0	111.4	R548 I549 K553 A556 Y573 M582	R548-V551 PolarHBondContact O-N 2.77Å; I549-V551 PolarHBondContact O-N 3.45Å; V551-K553 VanDerWaalsContact C-N 3.28Å; V551-K553 PolarHBondContact O-N 2.9Å; V551-A556 PolarHBondContact O-N 3.23Å; V551-Y573 HydrophobicContact CG2-CD1 4.29Å; V551-Y573 HydrophobicContact CG2-CE1 3.91Å; V551-M582 WeakPolarHBondContact CG1-O 3.21Å; V551-M582 WeakPolarHBondContact CG2-O 3.33Å
552	E	97.4	Very high	98.2	Very high	117 Å²	117	43.5 Å²	43.5	55%	0.547	22%	0.217	S	C	.	.	I	π-helix	trans	-68.3	-23.8	-172.5	-69	-177.8	-175	0	0	113.7	R548 A556	R548-E552 HydrophobicContact CB-CG 4.21Å; R548-E552 PolarHBondContact O-N 2.8Å; E552-A556 WeakPolarHBondContact O-CB 3.4Å
553	K	98.3	Very high	98.1	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.287	23%	0.233	S	C	.	.	I	π-helix	trans	-130.1	-51.7	-175.7	-171.9	177.2	166.4	-133.3	0	113.7	I549 V551 I557 P602 S603	I549-K553 HydrophobicContact CG2-CB 4.37Å; I549-K553 WeakPolarHBondContact O-CA 3.5Å; I549-K553 WeakPolarHBondContact O-CB 3.18Å; I549-K553 PolarHBondContact O-N 2.87Å; V551-K553 VanDerWaalsContact C-N 3.28Å; V551-K553 PolarHBondContact O-N 2.9Å; K553-I557 HydrophobicContact CG-CD1 3.92Å; K553-I557 VanDerWaalsContact O-CB 3.31Å; K553-I557 WeakPolarHBondContact O-CB 3.4Å; K553-I557 PolarHBondContact O-N 3.37Å; K553-P602 PolarHBondContact NZ-O 3.39Å; K553-S603 VanDerWaalsContact CD-OG 3.3Å; K553-S603 WeakPolarHBondContact CD-OG 3.45Å; K553-S603 WeakPolarHBondContact CE-OG 3.33Å; K553-S603 PolarHBondContact NZ-OG 2.98Å
554	N	98.5	Very high	98.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.242	C	C	.	.	I	π-helix	trans	-69.1	-47.1	-174.6	-67.9	6.4	0	0	0	111.6	I549 P550 Y558 D559 G560 E562 D601 S603	I549-N554 PolarHBondContact O-N 3.34Å; I549-N554 VanDerWaalsContact O-N 3.1Å; P550-N554 CarbonylContact O-C 3.57Å; P550-N554 WeakPolarHBondContact O-CA 3.29Å; P550-N554 WeakPolarHBondContact O-CB 3.45Å; P550-N554 PolarHBondContact O-N 3.3Å; N554-Y558 CarbonylContact O-C 3.56Å; N554-Y558 VanDerWaalsContact O-C 3.27Å; N554-Y558 VanDerWaalsContact O-CA 3.31Å; N554-Y558 WeakPolarHBondContact O-CA 3.44Å; N554-Y558 WeakPolarHBondContact O-CB 3.41Å; N554-Y558 PolarHBondContact O-N 2.72Å; N554-D559 PolarHBondContact O-N 3.17Å; N554-D559 VanDerWaalsContact O-N 3.12Å; N554-G560 PolarHBondContact O-N 2.79Å; N554-E562 WeakPolarHBondContact CB-OE1 3.2Å; N554-E562 PolarHBondContact ND2-OE1 2.89Å; N554-D601 PolarHBondContact ND2-OD1 2.8Å; N554-S603 WeakPolarHBondContact OD1-CB 3.43Å; N554-S603 PolarHBondContact OD1-OG 3.09Å
555	L	98.4	Very high	98.1	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.209	24%	0.242	C	C	.	.	I	π-helix	trans	-66.8	-52	171.6	-171.2	67.9	0	0	0	111.2	P550 I557 D559 Y573 M582	P550-L555 PolarHBondContact O-N 3.5Å; L555-I557 PolarHBondContact O-N 3.04Å; L555-D559 VanDerWaalsContact O-CA 3.23Å; L555-D559 WeakPolarHBondContact O-CA 3.31Å; L555-D559 PolarHBondContact O-N 2.83Å; L555-Y573 HydrophobicContact CB-CD1 4.26Å; L555-Y573 HydrophobicContact CB-CE1 3.73Å; L555-Y573 HydrophobicContact CD1-CD1 4.26Å; L555-Y573 HydrophobicContact CD1-CE1 4.43Å; L555-Y573 HydrophobicContact CD1-CG 4.27Å; L555-Y573 HydrophobicContact CD2-CD1 3.74Å; L555-Y573 HydrophobicContact CD2-CE1 4.03Å; L555-Y573 HydrophobicContact CD2-CG 4.41Å; L555-Y573 HydrophobicContact CG-CD1 4.31Å; L555-Y573 HydrophobicContact CG-CE1 4.28Å; L555-M582 HydrophobicContact CD2-CB 3.93Å; L555-M582 HydrophobicContact CD2-CG 4.16Å
556	A	98.1	Very high	98.2	Very high	76 Å²	76	43.6 Å²	43.6	63%	0.628	22%	0.218	S	C	*	.	H	α-helix	trans	-61.6	-35.6	-174.1	0	0	0	0	0	115	V551 E552	V551-A556 PolarHBondContact O-N 3.23Å; E552-A556 WeakPolarHBondContact O-CB 3.4Å
557	I	98.7	Very high	98.2	Very high	70 Å²	70	41.4 Å²	41.4	36%	0.359	21%	0.207	S	C	.	.	H	α-helix	trans	-104.5	-38.4	-175.8	-54.9	-176.7	0	0	0	112.1	P503 A504 K553 L555	P503-I557 CarbonylContact C-O 3.55Å; P503-I557 WeakPolarHBondContact CA-O 3.27Å; P503-I557 HydrophobicContact CB-CG2 3.96Å; P503-I557 HydrophobicContact CG-CG2 4.23Å; A504-I557 PolarHBondContact N-O 3.27Å; K553-I557 HydrophobicContact CG-CD1 3.92Å; K553-I557 VanDerWaalsContact O-CB 3.31Å; K553-I557 WeakPolarHBondContact O-CB 3.4Å; K553-I557 PolarHBondContact O-N 3.37Å; L555-I557 PolarHBondContact O-N 3.04Å
558	Y	98.8	Very high	98.3	Very high	37 Å²	37	39.6 Å²	39.6	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-115.7	6.8	-171.1	-53.5	-83.9	0	0	0	113.3	P337 L501 K502 N554 G560 P602	P337-Y558 VanDerWaalsContact CB-O 3.31Å; P337-Y558 WeakPolarHBondContact CB-O 3.34Å; L501-Y558 HydrophobicContact CB-CD1 3.89Å; L501-Y558 HydrophobicContact CB-CE1 3.91Å; L501-Y558 HydrophobicContact CD1-CD1 4.5Å; K502-Y558 WeakPolarHBondContact O-CD1 3.29Å; N554-Y558 CarbonylContact O-C 3.56Å; N554-Y558 VanDerWaalsContact O-C 3.27Å; N554-Y558 VanDerWaalsContact O-CA 3.31Å; N554-Y558 WeakPolarHBondContact O-CA 3.44Å; N554-Y558 WeakPolarHBondContact O-CB 3.41Å; N554-Y558 PolarHBondContact O-N 2.72Å; Y558-G560 VanDerWaalsContact C-N 3.25Å; Y558-G560 PolarHBondContact O-N 3.1Å; Y558-P602 HydrophobicContact CD2-CB 4.26Å; Y558-P602 HydrophobicContact CD2-CG 3.74Å; Y558-P602 HydrophobicContact CE1-CB 4.37Å; Y558-P602 HydrophobicContact CE2-CB 3.94Å; Y558-P602 HydrophobicContact CE2-CG 3.89Å; Y558-P602 HydrophobicContact CG-CG 4.09Å
559	D	98.4	Very high	98.3	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	55.2	38.1	-178.4	-166.8	52.8	0	0	0	113.6	Y338 A504 N554 L555 R564	Y338-D559 HydrophobicContact CE1-CB 4.1Å; Y338-D559 VanDerWaalsContact CE1-OD2 3.25Å; Y338-D559 WeakPolarHBondContact CE1-OD2 2.89Å; A504-D559 HydrophobicContact CB-CB 3.73Å; N554-D559 PolarHBondContact O-N 3.17Å; N554-D559 VanDerWaalsContact O-N 3.12Å; L555-D559 VanDerWaalsContact O-CA 3.23Å; L555-D559 WeakPolarHBondContact O-CA 3.31Å; L555-D559 PolarHBondContact O-N 2.83Å; D559-R564 PolarHBondContact O-NH1 3.4Å; D559-R564 PolarHBondContact O-NH2 2.94Å; D559-R564 IonicContact OD2-CZ 3.9Å; D559-R564 IonicContact OD2-NH1 3.83Å; D559-R564 IonicContact OD2-NH2 2.72Å; D559-R564 PolarHBondContact OD2-NH2 2.83Å
560	G	98.4	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.			trans	63.5	58.6	170.2	0	0	0	0	0	113.4	N554 Y558 E562 Q563	N554-G560 PolarHBondContact O-N 2.79Å; Y558-G560 VanDerWaalsContact C-N 3.25Å; Y558-G560 PolarHBondContact O-N 3.1Å; G560-E562 VanDerWaalsContact C-OE2 3.27Å; G560-E562 PolarHBondContact O-N 3.32Å; G560-Q563 WeakPolarHBondContact O-CB 3.43Å; G560-Q563 PolarHBondContact O-N 2.91Å
561	P	98.7	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.9	-174.2	26.6	-36.7	0	0	0	113.8	P337 L501 Q563 R564 F565 P602	P337-P561 HydrophobicContact CB-CB 4.47Å; L501-P561 HydrophobicContact CD1-CB 4.02Å; L501-P561 HydrophobicContact CD1-CG 3.94Å; P561-Q563 PolarHBondContact O-N 2.96Å; P561-R564 WeakPolarHBondContact O-CA 3.48Å; P561-R564 PolarHBondContact O-N 3.19Å; P561-F565 VanDerWaalsContact C-CD1 3.49Å; P561-F565 HydrophobicContact CB-CD1 3.99Å; P561-F565 HydrophobicContact CB-CE1 4.1Å; P561-F565 HydrophobicContact CG-CE1 4.2Å; P561-F565 VanDerWaalsContact O-CD1 3.24Å; P561-F565 WeakPolarHBondContact O-CD1 3.39Å; P561-F565 WeakPolarHBondContact O-CG 3.41Å; P561-F565 PolarHBondContact O-N 3.01Å; P561-P602 HydrophobicContact CG-CG 4.3Å
562	E	98.6	Very high	98.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-26.3	174.4	54.2	-93.6	-133.1	0	0	114.2	N554 G560 R564 F565 C566 Y571 Y573	N554-E562 WeakPolarHBondContact CB-OE1 3.2Å; N554-E562 PolarHBondContact ND2-OE1 2.89Å; G560-E562 VanDerWaalsContact C-OE2 3.27Å; G560-E562 PolarHBondContact O-N 3.32Å; E562-R564 PolarHBondContact O-N 3.26Å; E562-F565 VanDerWaalsContact CA-CE2 3.5Å; E562-F565 HydrophobicContact CB-CE1 4.09Å; E562-F565 HydrophobicContact CB-CE2 3.76Å; E562-F565 HydrophobicContact CB-CZ 3.49Å; E562-F565 VanDerWaalsContact CB-CZ 3.49Å; E562-C566 WeakPolarHBondContact O-CB 3.17Å; E562-C566 PolarHBondContact O-N 3.11Å; E562-Y571 HydrophobicContact CB-CD2 3.96Å; E562-Y571 HydrophobicContact CB-CG 3.88Å; E562-Y571 HydrophobicContact CG-CG 4.16Å; E562-Y573 HydrophobicContact CG-CE2 3.93Å; E562-Y573 PolarHBondContact OE1-OH 2.81Å
563	Q	98.3	Very high	98.4	Very high	69 Å²	69	29.2 Å²	29.2	32%	0.322	15%	0.154	S	C	.	.	H	α-helix	trans	-69.1	-16.5	171.1	-60.1	-178.4	94	0	0	113	G560 P561 Y573	G560-Q563 WeakPolarHBondContact O-CB 3.43Å; G560-Q563 PolarHBondContact O-N 2.91Å; P561-Q563 PolarHBondContact O-N 2.96Å; Q563-Y573 VanDerWaalsContact CD-CD2 3.46Å; Q563-Y573 HydrophobicContact CG-CD2 3.69Å; Q563-Y573 HydrophobicContact CG-CE2 4.16Å
564	R	98.6	Very high	98.2	Very high	52 Å²	52	27 Å²	27	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-117.1	-37.9	-170	-58.9	-171.1	-172.1	92.6	12.4	113.7	P337 Y338 S340 D559 P561 E562	P337-R564 PolarHBondContact O-NH1 2.83Å; Y338-R564 WeakPolarHBondContact O-CD 3.27Å; S340-R564 WeakPolarHBondContact CA-O 3.5Å; S340-R564 WeakPolarHBondContact CB-O 3.34Å; S340-R564 PolarHBondContact OG-O 2.66Å; D559-R564 PolarHBondContact O-NH1 3.4Å; D559-R564 PolarHBondContact O-NH2 2.94Å; D559-R564 IonicContact OD2-CZ 3.9Å; D559-R564 IonicContact OD2-NH1 3.83Å; D559-R564 IonicContact OD2-NH2 2.72Å; D559-R564 PolarHBondContact OD2-NH2 2.83Å; P561-R564 WeakPolarHBondContact O-CA 3.48Å; P561-R564 PolarHBondContact O-N 3.19Å; E562-R564 PolarHBondContact O-N 3.26Å
565	F	98.6	Very high	98	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-78.4	-21.1	175.3	64.8	-129.3	0	0	0	113.2	Y334 P561 E562 P567 T596 C597 K600	Y334-F565 WeakPolarHBondContact OH-CB 3.44Å; P561-F565 VanDerWaalsContact C-CD1 3.49Å; P561-F565 HydrophobicContact CB-CD1 3.99Å; P561-F565 HydrophobicContact CB-CE1 4.1Å; P561-F565 HydrophobicContact CG-CE1 4.2Å; P561-F565 VanDerWaalsContact O-CD1 3.24Å; P561-F565 WeakPolarHBondContact O-CD1 3.39Å; P561-F565 WeakPolarHBondContact O-CG 3.41Å; P561-F565 PolarHBondContact O-N 3.01Å; E562-F565 VanDerWaalsContact CA-CE2 3.5Å; E562-F565 HydrophobicContact CB-CE1 4.09Å; E562-F565 HydrophobicContact CB-CE2 3.76Å; E562-F565 HydrophobicContact CB-CZ 3.49Å; E562-F565 VanDerWaalsContact CB-CZ 3.49Å; F565-P567 VanDerWaalsContact O-CD 3.31Å; F565-P567 WeakPolarHBondContact O-CD 3.4Å; F565-T596 HydrophobicContact CB-CG2 4.31Å; F565-T596 HydrophobicContact CD2-CG2 4.28Å; F565-C597 HydrophobicContact CD2-CB 4.49Å; F565-C597 VanDerWaalsContact CE2-CA 3.49Å; F565-C597 HydrophobicContact CE2-CB 3.65Å; F565-C597 HydrophobicContact CZ-CB 4.43Å; F565-K600 HydrophobicContact CD1-CB 4.14Å; F565-K600 HydrophobicContact CD1-CG 3.79Å; F565-K600 HydrophobicContact CE1-CB 4.27Å; F565-K600 HydrophobicContact CE1-CG 4.21Å; F565-K600 HydrophobicContact CG-CB 4.45Å; F565-K600 HydrophobicContact CG-CG 4.32Å
566	C	98.8	Very high	97.6	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.061	18%	0.177	C	C	.	.			trans	-72.6	118.6	178.5	-176.1	0	0	0	0	109.9	E562 A568 V570 Y571	E562-C566 WeakPolarHBondContact O-CB 3.17Å; E562-C566 PolarHBondContact O-N 3.11Å; C566-A568 PolarHBondContact O-N 2.78Å; C566-V570 PolarHBondContact SG-N 3.02Å; C566-V570 VanDerWaalsContact SG-N 3.43Å; C566-Y571 HydrophobicContact CB-CD2 3.96Å; C566-Y571 HydrophobicContact CB-CE2 4.49Å
567	P	98.8	Very high	96.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	13.3	178.3	35	-38.4	0	0	0	113.2	I278 L280 Y366 A368 L523 F565 V592 C594	I278-P567 HydrophobicContact CD1-CB 3.95Å; I278-P567 HydrophobicContact CD1-CG 3.84Å; L280-P567 HydrophobicContact CD2-CB 4.1Å; Y366-P567 WeakPolarHBondContact OH-CB 3.24Å; Y366-P567 PolarHBondContact OH-O 2.95Å; A368-P567 HydrophobicContact CB-CB 3.44Å; A368-P567 VanDerWaalsContact CB-CB 3.44Å; A368-P567 HydrophobicContact CB-CG 3.56Å; L523-P567 WeakPolarHBondContact CD1-O 3.46Å; F565-P567 VanDerWaalsContact O-CD 3.31Å; F565-P567 WeakPolarHBondContact O-CD 3.4Å; P567-V592 HydrophobicContact CG-CG2 3.85Å; P567-C594 HydrophobicContact CG-CB 4.11Å; P567-C594 VanDerWaalsContact CG-SG 3.52Å
568	A	98.6	Very high	96.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.8	9.7	-173.6	0	0	0	0	0	115.8	V527 C566 V570 N590 V592	V527-A568 HydrophobicContact CG2-CB 3.74Å; C566-A568 PolarHBondContact O-N 2.78Å; A568-V570 HydrophobicContact CB-CG2 4.24Å; A568-V570 PolarHBondContact O-N 3.34Å; A568-N590 WeakPolarHBondContact CB-O 3.48Å; A568-N590 WeakPolarHBondContact O-CB 3.42Å; A568-V592 HydrophobicContact CB-CG1 4.12Å; A568-V592 HydrophobicContact CB-CG2 4.2Å
569	G	97.8	Very high	95	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	23%	0.231	C	C	.	.			trans	61.6	31.5	176.3	0	0	0	0	0	113.9	Y571 N587	G569-Y571 VanDerWaalsContact C-N 3.32Å; G569-N587 PolarHBondContact O-ND2 2.74Å
570	V	98.6	Very high	94.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	26%	0.263	C	S	.	.			trans	-68.8	-33	178.8	174.4	0	0	0	0	111.2	L542 C566 A568 I586 N587 N590 C591	L542-V570 HydrophobicContact CD2-CG1 3.93Å; L542-V570 HydrophobicContact CG-CG1 4Å; C566-V570 PolarHBondContact SG-N 3.02Å; C566-V570 VanDerWaalsContact SG-N 3.43Å; A568-V570 HydrophobicContact CB-CG2 4.24Å; A568-V570 PolarHBondContact O-N 3.34Å; V570-I586 HydrophobicContact CG1-CG2 3.9Å; V570-I586 CarbonylContact O-C 3.53Å; V570-I586 WeakPolarHBondContact O-CA 3.29Å; V570-N587 PolarHBondContact O-N 3.33Å; V570-N590 HydrophobicContact CG2-CB 4.11Å; V570-C591 HydrophobicContact CG2-CB 4.11Å
571	Y	98.6	Very high	93.8	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.6	-176.2	-54.8	-80	0	0	0	110.1	L542 E562 C566 G569 L584 I586 C597 I606	L542-Y571 HydrophobicContact CB-CE1 4.3Å; L542-Y571 WeakPolarHBondContact CB-OH 3.42Å; L542-Y571 WeakPolarHBondContact CD1-OH 3.22Å; L542-Y571 WeakPolarHBondContact CG-OH 3.31Å; E562-Y571 HydrophobicContact CB-CD2 3.96Å; E562-Y571 HydrophobicContact CB-CG 3.88Å; E562-Y571 HydrophobicContact CG-CG 4.16Å; C566-Y571 HydrophobicContact CB-CD2 3.96Å; C566-Y571 HydrophobicContact CB-CE2 4.49Å; G569-Y571 VanDerWaalsContact C-N 3.32Å; Y571-L584 HydrophobicContact CD1-CD1 4.3Å; Y571-L584 HydrophobicContact CD1-CD2 4.35Å; Y571-I586 HydrophobicContact CD1-CD1 4.38Å; Y571-I586 HydrophobicContact CD1-CG1 4.08Å; Y571-I586 HydrophobicContact CE1-CD1 4.04Å; Y571-I586 HydrophobicContact CE1-CG1 4.17Å; Y571-C597 HydrophobicContact CE2-CB 3.61Å; Y571-C597 WeakPolarHBondContact OH-CB 3.22Å; Y571-C597 PolarHBondContact OH-SG 3.41Å; Y571-I606 HydrophobicContact CE1-CD1 3.98Å
572	E	97.4	Very high	93.6	Very high	90 Å²	90	52.1 Å²	52.1	42%	0.421	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.5	179.3	-174.2	179.1	-176	0	0	109.4	V574 L584 Q585	E572-V574 HydrophobicContact CG-CG1 3.81Å; E572-L584 CarbonylContact O-C 3.29Å; E572-Q585 PolarHBondContact N-O 2.88Å; E572-Q585 VanDerWaalsContact N-O 3.11Å; E572-Q585 PolarHBondContact O-N 2.87Å
573	Y	97.1	Very high	93.4	Very high	17 Å²	17	56.4 Å²	56.4	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.2	172.8	-76.1	-98.4	0	0	0	109.1	P550 V551 L555 E562 Q563 M582 R583 L584	P550-Y573 WeakPolarHBondContact CA-OH 3.38Å; P550-Y573 HydrophobicContact CB-CE1 4.34Å; P550-Y573 WeakPolarHBondContact CB-OH 3.39Å; P550-Y573 PolarHBondContact O-OH 3.04Å; V551-Y573 HydrophobicContact CG2-CD1 4.29Å; V551-Y573 HydrophobicContact CG2-CE1 3.91Å; L555-Y573 HydrophobicContact CB-CD1 4.26Å; L555-Y573 HydrophobicContact CB-CE1 3.73Å; L555-Y573 HydrophobicContact CD1-CD1 4.26Å; L555-Y573 HydrophobicContact CD1-CE1 4.43Å; L555-Y573 HydrophobicContact CD1-CG 4.27Å; L555-Y573 HydrophobicContact CD2-CD1 3.74Å; L555-Y573 HydrophobicContact CD2-CE1 4.03Å; L555-Y573 HydrophobicContact CD2-CG 4.41Å; L555-Y573 HydrophobicContact CG-CD1 4.31Å; L555-Y573 HydrophobicContact CG-CE1 4.28Å; E562-Y573 HydrophobicContact CG-CE2 3.93Å; E562-Y573 PolarHBondContact OE1-OH 2.81Å; Q563-Y573 VanDerWaalsContact CD-CD2 3.46Å; Q563-Y573 HydrophobicContact CG-CD2 3.69Å; Q563-Y573 HydrophobicContact CG-CE2 4.16Å; Y573-M582 HydrophobicContact CD1-CB 4.23Å; Y573-R583 WeakPolarHBondContact CA-O 3.37Å; Y573-L584 HydrophobicContact CD2-CD1 4.12Å; Y573-L584 HydrophobicContact CE1-CB 4.29Å; Y573-L584 HydrophobicContact CE2-CD1 3.86Å
574	V	95.6	Very high	93.3	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149	-177.5	-58.9	0	0	0	0	110.4	E572 M582 R583 Q585	E572-V574 HydrophobicContact CG-CG1 3.81Å; V574-M582 VanDerWaalsContact C-SD 3.51Å; V574-M582 CarbonylContact O-C 3.58Å; V574-M582 WeakPolarHBondContact O-CA 3.43Å; V574-R583 HydrophobicContact CG2-CG 3.64Å; V574-R583 PolarHBondContact N-O 2.83Å; V574-R583 PolarHBondContact O-N 3.48Å; V574-Q585 HydrophobicContact CG1-CB 4.48Å; V574-Q585 HydrophobicContact CG2-CB 4.31Å
575	P	93.7	Very high	93.3	Very high	89 Å²	89	53.8 Å²	53.8	58%	0.578	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	145	176.4	-26.6	35.5	0	0	0	112.3	G581 M582	P575-G581 WeakPolarHBondContact CA-O 3.5Å; P575-M582 HydrophobicContact CB-SD 4.46Å; P575-M582 HydrophobicContact CG-CE 4.45Å; P575-M582 HydrophobicContact CG-SD 4.12Å
576	V	89.6	Confident	93.2	Very high	45 Å²	45	54.3 Å²	54.3	27%	0.273	31%	0.312	S	S	.	.			trans	-69	146.9	169	-64.8	0	0	0	0	110.3	T578 G579 G581 R583	V576-T578 WeakPolarHBondContact CG2-O 3.29Å; V576-T578 PolarHBondContact O-N 2.8Å; V576-G579 WeakPolarHBondContact CG2-O 3.31Å; V576-G581 PolarHBondContact N-O 2.83Å; V576-G581 VanDerWaalsContact N-O 3.12Å; V576-R583 HydrophobicContact CG1-CB 4.23Å
577	E	83	Confident	93.2	Very high	179 Å²	179	55.9 Å²	55.9	84%	0.836	32%	0.319	S	S	*	.	S	Bend	trans	-69.8	-19.3	-178.6	-64.7	178.9	-171.7	0	0	113.1
578	T	82.3	Confident	93.2	Very high	122 Å²	122	56.7 Å²	56.7	75%	0.748	33%	0.326	S	S	*	.	S	Bend	trans	-137.8	123	179.1	56.5	0	0	0	0	110.9	V576	V576-T578 WeakPolarHBondContact CG2-O 3.29Å; V576-T578 PolarHBondContact O-N 2.8Å
579	G	76.5	Confident	93.1	Very high	67 Å²	67	61 Å²	61	69%	0.691	35%	0.346	S	S	*	.	S	Bend	trans	85.5	-170.5	179	0	0	0	0	0	114.6	V576	V576-G579 WeakPolarHBondContact CG2-O 3.31Å
580	D	82.3	Confident	93.1	Very high	178 Å²	178	62 Å²	62	95%	0.952	35%	0.348	S	S	*	.	S	Bend	trans	-93	126.7	178.9	-63.4	-49.7	0	0	0	110.7
581	G	89	Confident	93.1	Very high	42 Å²	42	62.2 Å²	62.2	43%	0.433	35%	0.349	S	S	.	.			trans	154.2	177.5	175.7	0	0	0	0	0	114	P575 V576	P575-G581 WeakPolarHBondContact CA-O 3.5Å; V576-G581 PolarHBondContact N-O 2.83Å; V576-G581 VanDerWaalsContact N-O 3.12Å
582	M	93.9	Very high	93.1	Very high	83 Å²	83	62 Å²	62	41%	0.409	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.9	174.3	-63.9	-65.8	-178.4	0	0	109.9	V551 L555 Y573 V574 P575	V551-M582 WeakPolarHBondContact CG1-O 3.21Å; V551-M582 WeakPolarHBondContact CG2-O 3.33Å; L555-M582 HydrophobicContact CD2-CB 3.93Å; L555-M582 HydrophobicContact CD2-CG 4.16Å; Y573-M582 HydrophobicContact CD1-CB 4.23Å; V574-M582 VanDerWaalsContact C-SD 3.51Å; V574-M582 CarbonylContact O-C 3.58Å; V574-M582 WeakPolarHBondContact O-CA 3.43Å; P575-M582 HydrophobicContact CB-SD 4.46Å; P575-M582 HydrophobicContact CG-CE 4.45Å; P575-M582 HydrophobicContact CG-SD 4.12Å
583	R	94.2	Very high	93.2	Very high	92 Å²	92	57.8 Å²	57.8	35%	0.347	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.9	163.4	62.7	172.6	-177.5	77.3	-0.9	109.7	Y573 V574 V576	Y573-R583 WeakPolarHBondContact CA-O 3.37Å; V574-R583 HydrophobicContact CG2-CG 3.64Å; V574-R583 PolarHBondContact N-O 2.83Å; V574-R583 PolarHBondContact O-N 3.48Å; V576-R583 HydrophobicContact CG1-CB 4.23Å
584	L	97.2	Very high	93.3	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.5	167.3	179	69.8	0	0	0	109.6	I47 L544 P550 Y571 E572 Y573 I586	I47-L584 HydrophobicContact CD1-CB 3.98Å; I47-L584 WeakPolarHBondContact CD1-O 3.47Å; L544-L584 HydrophobicContact CD1-CD2 4.09Å; P550-L584 HydrophobicContact CB-CB 4.18Å; P550-L584 HydrophobicContact CB-CD2 3.72Å; P550-L584 HydrophobicContact CB-CG 4.45Å; P550-L584 HydrophobicContact CG-CD2 3.7Å; Y571-L584 HydrophobicContact CD1-CD1 4.3Å; Y571-L584 HydrophobicContact CD1-CD2 4.35Å; E572-L584 CarbonylContact O-C 3.29Å; Y573-L584 HydrophobicContact CD2-CD1 4.12Å; Y573-L584 HydrophobicContact CE1-CB 4.29Å; Y573-L584 HydrophobicContact CE2-CD1 3.86Å; L584-I586 HydrophobicContact CD2-CD1 4.23Å; L584-I586 HydrophobicContact CD2-CG1 4.04Å; L584-I586 HydrophobicContact CG-CG1 4.26Å
585	Q	97	Very high	93.4	Very high	61 Å²	61	56.6 Å²	56.6	29%	0.285	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.2	166	-173.6	164.2	-65.1	0	0	109.3	E572 V574 N587	E572-Q585 PolarHBondContact N-O 2.88Å; E572-Q585 VanDerWaalsContact N-O 3.11Å; E572-Q585 PolarHBondContact O-N 2.87Å; V574-Q585 HydrophobicContact CG1-CB 4.48Å; V574-Q585 HydrophobicContact CG2-CB 4.31Å; Q585-N587 PolarHBondContact NE2-OD1 3.16Å
586	I	98.2	Very high	93.7	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	103.3	176.4	-59.4	-172.1	0	0	0	109.4	I47 P540 L542 L544 V570 Y571 L584 A588	I47-I586 HydrophobicContact CG2-CB 4.33Å; I47-I586 HydrophobicContact CG2-CD1 3.48Å; I47-I586 VanDerWaalsContact CG2-CD1 3.48Å; I47-I586 HydrophobicContact CG2-CG1 3.67Å; P540-I586 HydrophobicContact CB-CG2 4.13Å; L542-I586 HydrophobicContact CB-CD1 4.37Å; L542-I586 HydrophobicContact CB-CG2 3.95Å; L542-I586 HydrophobicContact CD2-CG2 4.12Å; L542-I586 HydrophobicContact CG-CG2 4.26Å; L542-I586 WeakPolarHBondContact O-CD1 3.36Å; L544-I586 HydrophobicContact CD1-CD1 4.32Å; L544-I586 HydrophobicContact CD2-CD1 4.47Å; L544-I586 HydrophobicContact CG-CD1 4.32Å; V570-I586 HydrophobicContact CG1-CG2 3.9Å; V570-I586 CarbonylContact O-C 3.53Å; V570-I586 WeakPolarHBondContact O-CA 3.29Å; Y571-I586 HydrophobicContact CD1-CD1 4.38Å; Y571-I586 HydrophobicContact CD1-CG1 4.08Å; Y571-I586 HydrophobicContact CE1-CD1 4.04Å; Y571-I586 HydrophobicContact CE1-CG1 4.17Å; L584-I586 HydrophobicContact CD2-CD1 4.23Å; L584-I586 HydrophobicContact CD2-CG1 4.04Å; L584-I586 HydrophobicContact CG-CG1 4.26Å; I586-A588 HydrophobicContact CG2-CB 4.14Å; I586-A588 PolarHBondContact O-N 3.08Å
587	N	97.9	Very high	94.1	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	29%	0.286	C	S	.	.			trans	-82.4	62	174.1	-56.7	-40.7	0	0	0	109.6	G569 V570 Q585 Q589 N590	G569-N587 PolarHBondContact O-ND2 2.74Å; V570-N587 PolarHBondContact O-N 3.33Å; Q585-N587 PolarHBondContact NE2-OD1 3.16Å; N587-Q589 PolarHBondContact O-N 2.76Å; N587-Q589 VanDerWaalsContact O-N 3.09Å; N587-N590 PolarHBondContact O-N 3.24Å; N587-N590 VanDerWaalsContact O-N 3.09Å
588	A	97.8	Very high	94.8	Very high	18 Å²	18	42.1 Å²	42.1	15%	0.149	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.8	-168.3	0	0	0	0	0	114.6	P540 L542 I586 N590 C591	P540-A588 HydrophobicContact CB-CB 4.14Å; L542-A588 HydrophobicContact CD2-CB 3.78Å; I586-A588 HydrophobicContact CG2-CB 4.14Å; I586-A588 PolarHBondContact O-N 3.08Å; A588-N590 PolarHBondContact O-N 3.28Å; A588-N590 VanDerWaalsContact O-N 3.17Å; A588-C591 WeakPolarHBondContact O-CB 3.46Å; A588-C591 PolarHBondContact O-N 3.2Å
589	Q	96.9	Very high	95.6	Very high	91 Å²	91	36.8 Å²	36.8	43%	0.425	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-56.2	-29.1	177.9	-168.8	179.6	9.1	0	0	113.5	N533 H534 N587 C591	N533-Q589 PolarHBondContact OD1-NE2 2.97Å; H534-Q589 HydrophobicContact CB-CG 4.41Å; H534-Q589 PolarHBondContact ND1-O 2.91Å; N587-Q589 PolarHBondContact O-N 2.76Å; N587-Q589 VanDerWaalsContact O-N 3.09Å; Q589-C591 VanDerWaalsContact C-N 3.27Å; Q589-C591 PolarHBondContact O-N 2.91Å
590	N	98.4	Very high	96.7	Very high	40 Å²	40	33.6 Å²	33.6	21%	0.214	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.7	-4.4	179.6	-64.6	-9.5	0	0	0	113.6	V527 T532 A568 V570 N587 A588 V592	V527-N590 HydrophobicContact CG1-CB 4.26Å; T532-N590 WeakPolarHBondContact CG2-O 3.27Å; A568-N590 WeakPolarHBondContact CB-O 3.48Å; A568-N590 WeakPolarHBondContact O-CB 3.42Å; V570-N590 HydrophobicContact CG2-CB 4.11Å; N587-N590 PolarHBondContact O-N 3.24Å; N587-N590 VanDerWaalsContact O-N 3.09Å; A588-N590 PolarHBondContact O-N 3.28Å; A588-N590 VanDerWaalsContact O-N 3.17Å; N590-V592 PolarHBondContact O-N 2.77Å; N590-V592 VanDerWaalsContact O-N 3.16Å
591	C	98.8	Very high	97.5	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.047	13%	0.134	C	C	.	.			trans	-67.8	114.6	-167	-171.6	0	0	0	0	113.8	T532 H534 H541 L542 V570 A588 Q589 H593	T532-C591 PolarHBondContact OG1-O 3.4Å; H534-C591 PolarHBondContact CE1-O 2.92Å; H541-C591 WeakPolarHBondContact NE2-CB 3.44Å; H541-C591 PolarHBondContact NE2-SG 3.42Å; L542-C591 HydrophobicContact CD2-CB 4.27Å; V570-C591 HydrophobicContact CG2-CB 4.11Å; A588-C591 WeakPolarHBondContact O-CB 3.46Å; A588-C591 PolarHBondContact O-N 3.2Å; Q589-C591 VanDerWaalsContact C-N 3.27Å; Q589-C591 PolarHBondContact O-N 2.91Å; C591-H593 PolarHBondContact O-CD2 2.83Å; C591-H593 PolarHBondContact O-N 3.36Å; C591-H593 VanDerWaalsContact O-N 3.14Å
592	V	98.6	Very high	97.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.117	C	C	.	.			trans	-80.8	16.9	175.7	-60.8	0	0	0	0	114.8	A368 T532 P567 A568 N590 C594 P617	A368-V592 HydrophobicContact CB-CG2 4.37Å; T532-V592 HydrophobicContact CG2-CG1 3.99Å; P567-V592 HydrophobicContact CG-CG2 3.85Å; A568-V592 HydrophobicContact CB-CG1 4.12Å; A568-V592 HydrophobicContact CB-CG2 4.2Å; N590-V592 PolarHBondContact O-N 2.77Å; N590-V592 VanDerWaalsContact O-N 3.16Å; V592-C594 HydrophobicContact CG2-CB 4.12Å; V592-C594 PolarHBondContact O-N 3.03Å; V592-P617 HydrophobicContact CB-CG 3.94Å; V592-P617 HydrophobicContact CG1-CG 4.39Å
593	H	98.8	Very high	98.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	11%	0.106	C	C	.	.			trans	56	19.7	178.2	-62.5	172.9	0	0	0	115.9	K110 H117 R369 H534 H541 C591 K595 W608 P611 G615 G616	K110-H593 PolarHBondContact NZ-CE1 3.27Å; K110-H593 PolarHBondContact NZ-ND1 3.15Å; K110-H593 PolarHBondContact NZ-NE2 2.86Å; H117-H593 AromaticContact CD2-CE1 3.26Å; H117-H593 PolarHBondContact CD2-CE1 3.19Å; H117-H593 AromaticContact CE1-CE1 2.74Å; H117-H593 PolarHBondContact CE1-CE1 2.88Å; H117-H593 AromaticContact CE1-ND1 3.59Å; H117-H593 AromaticContact CE1-NE2 3.64Å; H117-H593 AromaticContact CG-CE1 3.5Å; H117-H593 AromaticContact ND1-CE1 3.21Å; H117-H593 PolarHBondContact ND1-CE1 3.13Å; H117-H593 AromaticContact NE2-CE1 2.7Å; H117-H593 PolarHBondContact NE2-CE1 2.9Å; H117-H593 AromaticContact NE2-ND1 3.62Å; H117-H593 AromaticContact NE2-NE2 3.85Å; R369-H593 PolarHBondContact NH1-O 2.81Å; R369-H593 VanDerWaalsContact NH1-O 3.16Å; H534-H593 AromaticContact NE2-NE2 3.76Å; H541-H593 AromaticContact NE2-CD2 3.89Å; C591-H593 PolarHBondContact O-CD2 2.83Å; C591-H593 PolarHBondContact O-N 3.36Å; C591-H593 VanDerWaalsContact O-N 3.14Å; H593-K595 PolarHBondContact O-N 2.94Å; H593-K595 VanDerWaalsContact O-N 3.08Å; H593-W608 HydrophobicContact CB-CZ2 4.16Å; H593-W608 AromaticContact CD2-CZ2 3.6Å; H593-W608 AromaticContact CG-CZ2 3.82Å; H593-P611 WeakPolarHBondContact NE2-CG 3.07Å; H593-G615 PolarHBondContact NE2-O 3.37Å; H593-G616 WeakPolarHBondContact NE2-CA 3.33Å; H593-G616 PolarHBondContact NE2-N 2.75Å
594	C	98.7	Very high	98.3	Very high	9 Å²	9	19.2 Å²	19.2	6%	0.061	10%	0.102	C	C	.	.			trans	-63.8	-15.5	-173.3	62.6	0	0	0	0	115.7	A368 A370 P567 V592 T596	A368-C594 HydrophobicContact CB-CB 4.48Å; A370-C594 WeakPolarHBondContact CB-O 3.25Å; A370-C594 PolarHBondContact N-O 3.2Å; P567-C594 HydrophobicContact CG-CB 4.11Å; P567-C594 VanDerWaalsContact CG-SG 3.52Å; V592-C594 HydrophobicContact CG2-CB 4.12Å; V592-C594 PolarHBondContact O-N 3.03Å; C594-T596 PolarHBondContact O-N 3.32Å
595	K	98.8	Very high	98.4	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.017	10%	0.103	C	C	.	.			trans	66.8	-8	-174.9	-46.3	-52.8	-169.1	82.2	0	117	H254 H593 C597 D598 I599 W608	H254-K595 HydrophobicContact CB-CB 3.97Å; H254-K595 HydrophobicContact CB-CG 4.27Å; H254-K595 PolarHBondContact O-NZ 2.98Å; H593-K595 PolarHBondContact O-N 2.94Å; H593-K595 VanDerWaalsContact O-N 3.08Å; K595-C597 VanDerWaalsContact C-N 3.25Å; K595-C597 PolarHBondContact O-N 3.14Å; K595-C597 VanDerWaalsContact O-N 3.1Å; K595-D598 PolarHBondContact O-N 3.22Å; K595-D598 VanDerWaalsContact O-N 3.15Å; K595-I599 HydrophobicContact CB-CD1 4.25Å; K595-I599 PolarHBondContact O-N 3.2Å; K595-W608 HydrophobicContact CD-CD2 3.57Å; K595-W608 HydrophobicContact CD-CE3 3.68Å; K595-W608 HydrophobicContact CD-CG 3.96Å; K595-W608 HydrophobicContact CD-CZ2 4.5Å; K595-W608 HydrophobicContact CD-CZ3 4.23Å
596	T	98.9	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-52.8	-36.2	-177.1	-58.5	0	0	0	0	114.8	I278 L332 F565 C594 I599 K600	I278-T596 HydrophobicContact CB-CG2 4.36Å; I278-T596 HydrophobicContact CD1-CG2 4.17Å; L332-T596 HydrophobicContact CD1-CG2 3.93Å; L332-T596 HydrophobicContact CD2-CG2 3.72Å; F565-T596 HydrophobicContact CB-CG2 4.31Å; F565-T596 HydrophobicContact CD2-CG2 4.28Å; C594-T596 PolarHBondContact O-N 3.32Å; T596-I599 PolarHBondContact O-N 2.87Å; T596-K600 HydrophobicContact CG2-CB 4.41Å; T596-K600 WeakPolarHBondContact O-CB 3.31Å; T596-K600 PolarHBondContact O-N 3Å
597	C	98.6	Very high	98.5	Very high	8 Å²	8	17.6 Å²	17.6	5%	0.054	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-36	-178.2	55.5	0	0	0	0	114.1	F565 Y571 K595 D601 I606	F565-C597 HydrophobicContact CD2-CB 4.49Å; F565-C597 VanDerWaalsContact CE2-CA 3.49Å; F565-C597 HydrophobicContact CE2-CB 3.65Å; F565-C597 HydrophobicContact CZ-CB 4.43Å; Y571-C597 HydrophobicContact CE2-CB 3.61Å; Y571-C597 WeakPolarHBondContact OH-CB 3.22Å; Y571-C597 PolarHBondContact OH-SG 3.41Å; K595-C597 VanDerWaalsContact C-N 3.25Å; K595-C597 PolarHBondContact O-N 3.14Å; K595-C597 VanDerWaalsContact O-N 3.1Å; C597-D601 WeakPolarHBondContact O-CB 3.48Å; C597-D601 PolarHBondContact O-N 3.01Å; C597-I606 HydrophobicContact CB-CD1 4.12Å; C597-I606 HydrophobicContact CB-CG2 4.31Å
598	D	98.8	Very high	98.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-67.6	-41.9	173.6	-162.7	-49.6	0	0	0	110.6	H254 K259 K595 Q604 N607 W608	H254-D598 IonicContact NE2-OD1 2.77Å; H254-D598 PolarHBondContact NE2-OD1 3.28Å; K259-D598 WeakPolarHBondContact CE-OD1 3.35Å; K259-D598 IonicContact NZ-OD1 3.83Å; K259-D598 PolarHBondContact NZ-OD1 2.82Å; K259-D598 IonicContact NZ-OD2 3.56Å; K259-D598 PolarHBondContact NZ-OD2 2.78Å; K595-D598 PolarHBondContact O-N 3.22Å; K595-D598 VanDerWaalsContact O-N 3.15Å; D598-Q604 PolarHBondContact O-NE2 3.31Å; D598-N607 WeakPolarHBondContact OD2-CA 3.39Å; D598-W608 HydrophobicContact CB-CB 4.15Å; D598-W608 PolarHBondContact OD2-N 3.46Å
599	I	98.8	Very high	98.6	Very high	9 Å²	9	15.1 Å²	15.1	5%	0.046	8%	0.08	C	C	.	.	H	α-helix	trans	-68.8	-43.3	-179.3	-61.3	161.2	0	0	0	112.9	H254 Y276 L332 A370 D497 K595 T596	H254-I599 HydrophobicContact CB-CD1 3.93Å; H254-I599 HydrophobicContact CB-CG1 4.24Å; H254-I599 WeakPolarHBondContact ND1-CG1 3.41Å; Y276-I599 HydrophobicContact CD1-CD1 3.99Å; Y276-I599 HydrophobicContact CD2-CB 4.47Å; Y276-I599 HydrophobicContact CD2-CD1 4.2Å; Y276-I599 HydrophobicContact CD2-CG1 4.15Å; Y276-I599 HydrophobicContact CD2-CG2 3.46Å; Y276-I599 VanDerWaalsContact CD2-CG2 3.46Å; Y276-I599 HydrophobicContact CE1-CD1 4.38Å; Y276-I599 HydrophobicContact CE2-CG1 4.3Å; Y276-I599 HydrophobicContact CE2-CG2 4.17Å; Y276-I599 HydrophobicContact CG-CD1 3.87Å; Y276-I599 HydrophobicContact CG-CG1 4.34Å; Y276-I599 HydrophobicContact CG-CG2 3.94Å; L332-I599 HydrophobicContact CB-CG2 4.43Å; L332-I599 HydrophobicContact CD1-CB 4.05Å; L332-I599 HydrophobicContact CD1-CD1 4.24Å; L332-I599 HydrophobicContact CD1-CG2 3.63Å; A370-I599 HydrophobicContact CB-CD1 3.64Å; D497-I599 HydrophobicContact CB-CG2 4.33Å; K595-I599 HydrophobicContact CB-CD1 4.25Å; K595-I599 PolarHBondContact O-N 3.2Å; T596-I599 PolarHBondContact O-N 2.87Å
600	K	98.8	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-104.2	-8.6	-164.3	-170.4	49	176	180	0	115.2	L332 Y334 D497 F565 T596 P602	L332-K600 HydrophobicContact CB-CD 4.37Å; L332-K600 HydrophobicContact CD2-CB 4.38Å; L332-K600 HydrophobicContact CD2-CG 4.36Å; L332-K600 WeakPolarHBondContact O-CD 3.44Å; L332-K600 WeakPolarHBondContact O-CE 3.12Å; L332-K600 PolarHBondContact O-NZ 2.84Å; Y334-K600 HydrophobicContact CE1-CD 4.27Å; Y334-K600 HydrophobicContact CE1-CG 4.17Å; Y334-K600 PolarHBondContact O-NZ 3.49Å; D497-K600 PolarHBondContact O-NZ 2.99Å; F565-K600 HydrophobicContact CD1-CB 4.14Å; F565-K600 HydrophobicContact CD1-CG 3.79Å; F565-K600 HydrophobicContact CE1-CB 4.27Å; F565-K600 HydrophobicContact CE1-CG 4.21Å; F565-K600 HydrophobicContact CG-CB 4.45Å; F565-K600 HydrophobicContact CG-CG 4.32Å; T596-K600 HydrophobicContact CG2-CB 4.41Å; T596-K600 WeakPolarHBondContact O-CB 3.31Å; T596-K600 PolarHBondContact O-N 3Å; K600-P602 VanDerWaalsContact O-CD 3.3Å; K600-P602 WeakPolarHBondContact O-CD 3.4Å; K600-P602 VanDerWaalsContact O-N 3.13Å
601	D	98.8	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.			trans	-58.5	115.4	173.7	173.6	14.4	0	0	0	110.7	A498 N554 C597 S603 Q604 N605 I606	A498-D601 WeakPolarHBondContact CB-O 3.19Å; N554-D601 PolarHBondContact ND2-OD1 2.8Å; C597-D601 WeakPolarHBondContact O-CB 3.48Å; C597-D601 PolarHBondContact O-N 3.01Å; D601-S603 PolarHBondContact O-N 2.82Å; D601-S603 VanDerWaalsContact O-N 3.09Å; D601-S603 WeakPolarHBondContact OD1-CB 3.45Å; D601-S603 PolarHBondContact OD1-N 2.8Å; D601-Q604 PolarHBondContact O-N 2.82Å; D601-Q604 PolarHBondContact O-NE2 3.01Å; D601-Q604 VanDerWaalsContact O-NE2 3.13Å; D601-Q604 PolarHBondContact OD2-N 2.83Å; D601-N605 WeakPolarHBondContact OD2-CA 3.43Å; D601-N605 WeakPolarHBondContact OD2-CB 3.34Å; D601-N605 PolarHBondContact OD2-N 2.88Å; D601-I606 HydrophobicContact CB-CB 4.4Å; D601-I606 HydrophobicContact CB-CD1 4.18Å; D601-I606 HydrophobicContact CB-CG1 4.44Å; D601-I606 PolarHBondContact OD2-N 2.88Å
602	P	98.4	Very high	98.5	Very high	10 Å²	10	10.5 Å²	10.5	7%	0.065	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.4	-178.5	30.9	-37.1	0	0	0	113.3	A498 L501 K553 Y558 P561 K600	A498-P602 WeakPolarHBondContact O-CA 3.47Å; L501-P602 HydrophobicContact CD1-CB 4.18Å; L501-P602 HydrophobicContact CD1-CG 4.02Å; K553-P602 PolarHBondContact NZ-O 3.39Å; Y558-P602 HydrophobicContact CD2-CB 4.26Å; Y558-P602 HydrophobicContact CD2-CG 3.74Å; Y558-P602 HydrophobicContact CE1-CB 4.37Å; Y558-P602 HydrophobicContact CE2-CB 3.94Å; Y558-P602 HydrophobicContact CE2-CG 3.89Å; Y558-P602 HydrophobicContact CG-CG 4.09Å; P561-P602 HydrophobicContact CG-CG 4.3Å; K600-P602 VanDerWaalsContact O-CD 3.3Å; K600-P602 WeakPolarHBondContact O-CD 3.4Å; K600-P602 VanDerWaalsContact O-N 3.13Å
603	S	98.3	Very high	98.2	Very high	27 Å²	27	11.7 Å²	11.7	19%	0.189	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-9.6	171.9	-64.2	0	0	0	0	113.9	I549 K553 N554 D601 N605	I549-S603 VanDerWaalsContact CG2-CB 3.48Å; K553-S603 VanDerWaalsContact CD-OG 3.3Å; K553-S603 WeakPolarHBondContact CD-OG 3.45Å; K553-S603 WeakPolarHBondContact CE-OG 3.33Å; K553-S603 PolarHBondContact NZ-OG 2.98Å; N554-S603 WeakPolarHBondContact OD1-CB 3.43Å; N554-S603 PolarHBondContact OD1-OG 3.09Å; D601-S603 PolarHBondContact O-N 2.82Å; D601-S603 VanDerWaalsContact O-N 3.09Å; D601-S603 WeakPolarHBondContact OD1-CB 3.45Å; D601-S603 PolarHBondContact OD1-N 2.8Å; S603-N605 PolarHBondContact O-N 2.91Å; S603-N605 VanDerWaalsContact O-N 3.11Å
604	Q	98.4	Very high	98	Very high	57 Å²	57	12.8 Å²	12.8	27%	0.266	8%	0.082	S	C	.	.			trans	46.8	37.1	-172.7	-69.9	-70.4	-79	0	0	112	A498 K545 D598 D601	A498-Q604 HydrophobicContact CB-CG 4.04Å; K545-Q604 WeakPolarHBondContact CE-O 3.11Å; K545-Q604 PolarHBondContact NZ-O 3.06Å; D598-Q604 PolarHBondContact O-NE2 3.31Å; D601-Q604 PolarHBondContact O-N 2.82Å; D601-Q604 PolarHBondContact O-NE2 3.01Å; D601-Q604 VanDerWaalsContact O-NE2 3.13Å; D601-Q604 PolarHBondContact OD2-N 2.83Å
605	N	98.6	Very high	97.9	Very high	8 Å²	8	12.9 Å²	12.9	4%	0.043	8%	0.084	C	C	.	.			trans	-89.6	-36.6	-178.2	-176	44.1	0	0	0	111.1	K545 D546 I549 D601 S603	K545-N605 WeakPolarHBondContact CB-OD1 3.48Å; K545-N605 WeakPolarHBondContact CG-O 3.44Å; K545-N605 PolarHBondContact N-O 3.43Å; K545-N605 PolarHBondContact N-OD1 2.87Å; K545-N605 VanDerWaalsContact N-OD1 3.11Å; D546-N605 PolarHBondContact N-OD1 3.45Å; D546-N605 PolarHBondContact O-ND2 3.45Å; D546-N605 PolarHBondContact O-OD1 3.03Å; I549-N605 HydrophobicContact CB-CB 4.49Å; I549-N605 HydrophobicContact CG2-CB 3.9Å; D601-N605 WeakPolarHBondContact OD2-CA 3.43Å; D601-N605 WeakPolarHBondContact OD2-CB 3.34Å; D601-N605 PolarHBondContact OD2-N 2.88Å; S603-N605 PolarHBondContact O-N 2.91Å; S603-N605 VanDerWaalsContact O-N 3.11Å
606	I	98.7	Very high	97.8	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.015	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.2	173.3	-65.9	169.6	0	0	0	110.1	T543 L544 Y571 C597 D601	T543-I606 CarbonylContact O-C 3.54Å; T543-I606 WeakPolarHBondContact O-CA 3.34Å; L544-I606 HydrophobicContact CD2-CG1 3.62Å; Y571-I606 HydrophobicContact CE1-CD1 3.98Å; C597-I606 HydrophobicContact CB-CD1 4.12Å; C597-I606 HydrophobicContact CB-CG2 4.31Å; D601-I606 HydrophobicContact CB-CB 4.4Å; D601-I606 HydrophobicContact CB-CD1 4.18Å; D601-I606 HydrophobicContact CB-CG1 4.44Å; D601-I606 PolarHBondContact OD2-N 2.88Å
607	N	98.8	Very high	97.8	Very high	32 Å²	32	12.9 Å²	12.9	17%	0.171	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	109.9	166.9	-178.5	73.3	0	0	0	108.9	K259 T543 D598 V609	K259-N607 PolarHBondContact NZ-OD1 2.81Å; T543-N607 PolarHBondContact N-O 3.24Å; T543-N607 VanDerWaalsContact N-O 3.11Å; T543-N607 PolarHBondContact O-N 3.46Å; T543-N607 PolarHBondContact OG1-O 3.02Å; D598-N607 WeakPolarHBondContact OD2-CA 3.39Å; N607-V609 WeakPolarHBondContact ND2-CG1 3.38Å; N607-V609 PolarHBondContact O-N 2.88Å
608	W	98.8	Very high	97.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.2	176.6	-173.8	94.4	0	0	0	109	K110 H256 H541 L542 H593 K595 D598 V610	K110-W608 HydrophobicContact CD-CH2 4.41Å; H256-W608 HydrophobicContact CB-CE3 3.85Å; H256-W608 HydrophobicContact CB-CZ3 4.06Å; H256-W608 WeakPolarHBondContact CB-O 3.26Å; H256-W608 AromaticContact CG-CZ3 3.92Å; H541-W608 AromaticContact CD2-CD1 3.87Å; H541-W608 AromaticContact CD2-CE2 3.87Å; H541-W608 AromaticContact CD2-NE1 3.32Å; H541-W608 PolarHBondContact CD2-NE1 3.16Å; H541-W608 VanDerWaalsContact CD2-NE1 3.32Å; H541-W608 AromaticContact NE2-NE1 3.38Å; H541-W608 PolarHBondContact NE2-NE1 2.83Å; L542-W608 VanDerWaalsContact CD1-CD1 3.43Å; L542-W608 HydrophobicContact CD1-CG 4.43Å; H593-W608 HydrophobicContact CB-CZ2 4.16Å; H593-W608 AromaticContact CD2-CZ2 3.6Å; H593-W608 AromaticContact CG-CZ2 3.82Å; K595-W608 HydrophobicContact CD-CD2 3.57Å; K595-W608 HydrophobicContact CD-CE3 3.68Å; K595-W608 HydrophobicContact CD-CG 3.96Å; K595-W608 HydrophobicContact CD-CZ2 4.5Å; K595-W608 HydrophobicContact CD-CZ3 4.23Å; D598-W608 HydrophobicContact CB-CB 4.15Å; D598-W608 PolarHBondContact OD2-N 3.46Å; W608-V610 HydrophobicContact CH2-CB 4.45Å; W608-V610 HydrophobicContact CH2-CG1 3.86Å; W608-V610 HydrophobicContact CZ3-CG1 3.92Å
609	V	98.7	Very high	97.7	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.042	11%	0.106	C	C	.	.			trans	-117.1	174.6	169	-59.3	0	0	0	0	109.6	T52 H541 T543 N607	T52-V609 HydrophobicContact CG2-CG1 4.48Å; H541-V609 HydrophobicContact CB-CG2 4.03Å; H541-V609 PolarHBondContact CD2-O 2.99Å; H541-V609 WeakPolarHBondContact O-CG2 3.43Å; H541-V609 PolarHBondContact O-N 3.09Å; T543-V609 HydrophobicContact CG2-CG2 3.95Å; N607-V609 WeakPolarHBondContact ND2-CG1 3.38Å; N607-V609 PolarHBondContact O-N 2.88Å
610	V	98.3	Very high	97.6	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	13%	0.127	C	C	.	.			trans	-72.8	138	174.3	-59.1	0	0	0	0	110.4	K110 A204 A206 N222 H256 W608	K110-V610 HydrophobicContact CD-CB 4.28Å; K110-V610 HydrophobicContact CD-CG1 3.4Å; K110-V610 VanDerWaalsContact CD-CG1 3.4Å; A204-V610 HydrophobicContact CB-CB 3.85Å; A204-V610 HydrophobicContact CB-CG1 4.08Å; A204-V610 HydrophobicContact CB-CG2 3.92Å; A206-V610 HydrophobicContact CB-CG2 3.54Å; N222-V610 HydrophobicContact CB-CG2 4.39Å; H256-V610 WeakPolarHBondContact CE1-CG1 3.47Å; W608-V610 HydrophobicContact CH2-CB 4.45Å; W608-V610 HydrophobicContact CH2-CG1 3.86Å; W608-V610 HydrophobicContact CZ3-CG1 3.92Å
611	P	98.1	Very high	97.4	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.026	13%	0.127	C	C	.	.			trans	-69.1	-176.6	158.3	30.4	-32.7	0	0	0	110.5	H541 H593 G613	H541-P611 HydrophobicContact CB-CB 4.14Å; H593-P611 WeakPolarHBondContact NE2-CG 3.07Å; P611-G613 PolarHBondContact O-N 3.1Å
612	E	96.4	Very high	97.4	Very high	34 Å²	34	19.4 Å²	19.4	16%	0.159	13%	0.127	C	C	.	.	S	Bend	trans	-48.8	139	159.6	-66.7	-178	156.9	0	0	111	V224 G225 G615	V224-E612 WeakPolarHBondContact CA-OE1 3.11Å; V224-E612 HydrophobicContact CG1-CG 4.32Å; G225-E612 PolarHBondContact N-OE1 2.77Å; E612-G615 PolarHBondContact O-N 2.77Å
613	G	92.7	Very high	97.3	Very high	26 Å²	26	19.9 Å²	19.9	27%	0.268	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	150.7	-177.3	0	0	0	0	0	113.4	G202 N222 P611 G615	G202-G613 CarbonylContact O-C 3.5Å; G202-G613 VanDerWaalsContact O-C 3.25Å; G202-G613 WeakPolarHBondContact O-CA 3.3Å; N222-G613 PolarHBondContact ND2-N 2.83Å; N222-G613 VanDerWaalsContact ND2-N 3.19Å; N222-G613 PolarHBondContact OD1-N 2.85Å; P611-G613 PolarHBondContact O-N 3.1Å; G613-G615 PolarHBondContact O-N 2.94Å
614	G	93.9	Very high	97.3	Very high	26 Å²	26	19.5 Å²	19.5	27%	0.268	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-19.7	-172.1	0	0	0	0	0	114.6	K110 P112 G202	K110-G614 WeakPolarHBondContact O-CA 3.48Å; K110-G614 PolarHBondContact O-N 3.32Å; P112-G614 WeakPolarHBondContact CD-O 3.44Å; G202-G614 PolarHBondContact O-N 3Å
615	G	95.7	Very high	97.2	Very high	10 Å²	10	17.4 Å²	17.4	10%	0.103	12%	0.12	C	C	.	.			trans	-67.1	150.2	169.9	0	0	0	0	0	112.8	H117 N533 H593 E612 G613	H117-G615 PolarHBondContact CE1-O 2.73Å; H117-G615 VanDerWaalsContact CE1-O 3.28Å; H117-G615 PolarHBondContact NE2-O 3.34Å; N533-G615 WeakPolarHBondContact O-CA 3.22Å; H593-G615 PolarHBondContact NE2-O 3.37Å; E612-G615 PolarHBondContact O-N 2.77Å; G613-G615 PolarHBondContact O-N 2.94Å
616	G	97.8	Very high	97.1	Very high	5 Å²	5	18 Å²	18	5%	0.052	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	120.1	-164.8	179.1	0	0	0	0	0	113.6	H117 T532 N533 H534 H593	H117-G616 WeakPolarHBondContact NE2-CA 3.25Å; T532-G616 VanDerWaalsContact CA-O 3.3Å; T532-G616 WeakPolarHBondContact CA-O 3.38Å; T532-G616 PolarHBondContact OG1-O 3.36Å; N533-G616 PolarHBondContact N-O 2.97Å; N533-G616 PolarHBondContact O-N 3.32Å; H534-G616 PolarHBondContact NE2-N 2.84Å; H593-G616 WeakPolarHBondContact NE2-CA 3.33Å; H593-G616 PolarHBondContact NE2-N 2.75Å
617	P	97.6	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.131	C	C	.	.			trans	-56.8	147	178.7	-28.4	33.9	0	0	0	115.4	A116 H117 V592 Y619	A116-P617 VanDerWaalsContact O-O 3.07Å; H117-P617 PolarHBondContact CD2-O 3.21Å; V592-P617 HydrophobicContact CB-CG 3.94Å; V592-P617 HydrophobicContact CG1-CG 4.39Å; P617-Y619 HydrophobicContact CB-CD1 3.88Å; P617-Y619 HydrophobicContact CB-CD2 3.76Å; P617-Y619 HydrophobicContact CB-CE1 3.68Å; P617-Y619 HydrophobicContact CB-CE2 3.54Å; P617-Y619 HydrophobicContact CB-CG 3.91Å; P617-Y619 VanDerWaalsContact CB-CZ 3.5Å; P617-Y619 HydrophobicContact CG-CD2 4.48Å; P617-Y619 HydrophobicContact CG-CE1 4.27Å; P617-Y619 HydrophobicContact CG-CE2 3.81Å
618	A	97.9	Very high	96.9	Very high	57 Å²	57	18.1 Å²	18.1	47%	0.471	13%	0.128	S	C	.	.			trans	-109.3	52.7	170.5	0	0	0	0	0	110.4	S530 G531	S530-A618 PolarHBondContact O-N 2.75Å; G531-A618 WeakPolarHBondContact O-CB 3.32Å
619	Y	98.5	Very high	96.8	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.016	14%	0.137	C	C	.	.			trans	-65.1	136.9	-177	-61.7	-39	0	0	0	111.9	A116 T118 L119 Y366 G367 A368 P617 M622	A116-Y619 WeakPolarHBondContact CA-O 3.22Å; A116-Y619 VanDerWaalsContact O-CB 3.22Å; A116-Y619 WeakPolarHBondContact O-CB 3.25Å; A116-Y619 VanDerWaalsContact O-CD2 3.3Å; A116-Y619 WeakPolarHBondContact O-CD2 3.44Å; A116-Y619 PolarHBondContact O-N 2.89Å; T118-Y619 WeakPolarHBondContact O-CD2 3.5Å; L119-Y619 HydrophobicContact CB-CD2 4.17Å; L119-Y619 HydrophobicContact CB-CE2 3.88Å; L119-Y619 HydrophobicContact CD1-CD2 4.43Å; L119-Y619 HydrophobicContact CD1-CE1 4.14Å; L119-Y619 HydrophobicContact CD1-CE2 3.81Å; Y366-Y619 WeakPolarHBondContact O-CE1 3.27Å; G367-Y619 VanDerWaalsContact CA-OH 3.3Å; G367-Y619 WeakPolarHBondContact CA-OH 3.31Å; A368-Y619 PolarHBondContact N-OH 2.77Å; P617-Y619 HydrophobicContact CB-CD1 3.88Å; P617-Y619 HydrophobicContact CB-CD2 3.76Å; P617-Y619 HydrophobicContact CB-CE1 3.68Å; P617-Y619 HydrophobicContact CB-CE2 3.54Å; P617-Y619 HydrophobicContact CB-CG 3.91Å; P617-Y619 VanDerWaalsContact CB-CZ 3.5Å; P617-Y619 HydrophobicContact CG-CD2 4.48Å; P617-Y619 HydrophobicContact CG-CE1 4.27Å; P617-Y619 HydrophobicContact CG-CE2 3.81Å; Y619-M622 HydrophobicContact CD1-CB 4.46Å; Y619-M622 HydrophobicContact CD1-CG 3.97Å; Y619-M622 HydrophobicContact CD2-CB 4.46Å; Y619-M622 HydrophobicContact CG-CB 4.03Å; Y619-M622 HydrophobicContact CG-CG 3.94Å
620	N	96.8	Very high	96.6	Very high	93 Å²	93	20.2 Å²	20.2	50%	0.497	14%	0.144	S	C	.	.	S	Bend	trans	-116	106.5	172.2	-171	16.5	0	0	0	110.9	R180 R186 M622	R180-N620 PolarHBondContact NH2-O 3.08Å; R186-N620 PolarHBondContact NH2-OD1 3.45Å; N620-M622 VanDerWaalsContact C-N 3.31Å; N620-M622 PolarHBondContact O-N 3.26Å
621	G	95.1	Very high	96.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	16%	0.155	C	C	.	.			trans	57.9	40.9	-179.3	0	0	0	0	0	113.5	R180 N183	R180-G621 VanDerWaalsContact CB-O 3.29Å; R180-G621 WeakPolarHBondContact CB-O 3.35Å; R180-G621 WeakPolarHBondContact CG-O 3.32Å; R180-G621 PolarHBondContact NE-O 2.84Å; N183-G621 WeakPolarHBondContact OD1-CA 3.43Å
622	M	97.3	Very high	96.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	17%	0.167	C	C	.	.			trans	-87.2	0	173.5	-67.3	-73.1	-80.1	0	0	112.4	L119 S120 L181 G182 K281 L283 A365 Y619 N620	L119-M622 WeakPolarHBondContact CA-OXT 3.31Å; L119-M622 HydrophobicContact CD1-CE 4.01Å; L119-M622 HydrophobicContact CG-CB 4.4Å; S120-M622 PolarHBondContact N-OXT 3.04Å; L181-M622 PolarHBondContact N-O 3.2Å; G182-M622 PolarHBondContact N-O 3.24Å; K281-M622 HydrophobicContact CB-CE 4.15Å; K281-M622 HydrophobicContact CD-CE 4.07Å; K281-M622 WeakPolarHBondContact CD-OXT 3.33Å; K281-M622 HydrophobicContact CD-SD 4.37Å; K281-M622 WeakPolarHBondContact CE-OXT 3.44Å; K281-M622 HydrophobicContact CG-CE 3.88Å; K281-M622 PolarHBondContact NZ-OXT 2.84Å; L283-M622 HydrophobicContact CD1-SD 3.6Å; L283-M622 HydrophobicContact CG-SD 3.66Å; A365-M622 HydrophobicContact CB-CE 4.29Å; A365-M622 HydrophobicContact CB-SD 3.66Å; Y619-M622 HydrophobicContact CD1-CB 4.46Å; Y619-M622 HydrophobicContact CD1-CG 3.97Å; Y619-M622 HydrophobicContact CD2-CB 4.46Å; Y619-M622 HydrophobicContact CG-CB 4.03Å; Y619-M622 HydrophobicContact CG-CG 3.94Å; N620-M622 VanDerWaalsContact C-N 3.31Å; N620-M622 PolarHBondContact O-N 3.26Å

Retrieved 622 of 622 residues in 211.4 ms (Link to these results)

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