A0A087XEP0_POEFO Loading...

Choline dehydrogenase

AlphaFold DB , UniProt , Accession A0A087XEP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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	27.8	Very low	23.9	Very low	240 Å²	240	138.3 Å²	138.3	100%	1.182	86%	0.855	S	S	*	*				0	133.4	0	-82.3	-179.3	172.7	0	0	108.2
2	S	23.1	Very low	24.2	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	86%	0.855	S	S	*	*			trans	74.5	110.6	170	-47.8	0	0	0	0	116.2
3	S	22.4	Very low	24.5	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	86%	0.86	S	S	*	*				65.7	132.3	64.3	-65.8	0	0	0	0	112
4	L	23.6	Very low	24.7	Very low	152 Å²	152	151.4 Å²	151.4	80%	0.796	87%	0.866	S	S	*	*			cis	-171.1	157.8	18.4	-144.3	82.6	0	0	0	110.9
5	V	23	Very low	24.9	Very low	111 Å²	111	153.1 Å²	153.1	67%	0.673	87%	0.87	S	S	*	*			trans	70.9	116	153.5	-160.7	0	0	0	0	122.7
6	V	23	Very low	25	Very low	147 Å²	147	149.9 Å²	149.9	89%	0.891	87%	0.868	S	S	*	*			trans	-122.2	132.9	152.5	171	0	0	0	0	108
7	M	22.3	Very low	25.1	Very low	188 Å²	188	149.9 Å²	149.9	93%	0.926	87%	0.872	S	S	*	*			trans	-150.6	142.8	168.9	-114.6	-172.3	175.5	0	0	111.5
8	G	22.3	Very low	25.1	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	86%	0.855	S	S	*	*			trans	132.2	66.1	166.1	0	0	0	0	0	114.2
9	Q	25.5	Very low	25.2	Very low	203 Å²	203	144.2 Å²	144.2	95%	0.949	85%	0.853	S	S	*	*				71.1	108	101	-77.8	-165.2	-5.6	0	0	116.7
10	A	24.2	Very low	25.1	Very low	111 Å²	111	149.7 Å²	149.7	92%	0.917	86%	0.859	S	S	*	*			trans	-110.8	143.6	160.3	0	0	0	0	0	109.1
11	G	25.2	Very low	25.3	Very low	77 Å²	77	152.9 Å²	152.9	79%	0.794	86%	0.857	S	S	*	*			trans	-166.7	158	170.3	0	0	0	0	0	110.2
12	A	27.8	Very low	25.3	Very low	104 Å²	104	149.7 Å²	149.7	86%	0.86	83%	0.832	S	S	*	*			cis	-166.3	133.6	-15.7	0	0	0	0	0	105.8
13	R	27.7	Very low	25.5	Very low	245 Å²	245	154.8 Å²	154.8	93%	0.925	84%	0.84	S	S	*	*			trans	-102.6	134.3	158	-81.6	-177	174.8	-164.3	-1.3	106.7
14	R	28	Very low	25.7	Very low	250 Å²	250	155.9 Å²	155.9	94%	0.943	84%	0.835	S	S	*	*			trans	-154.4	119.4	154.6	-109.7	171.1	-160.1	-111.7	3.5	111.6
15	L	27.5	Very low	26	Very low	177 Å²	177	156.9 Å²	156.9	93%	0.927	83%	0.833	S	S	*	*			trans	-68.8	148.3	155	-75.5	140	0	0	0	109
16	A	26.3	Very low	26.3	Very low	101 Å²	101	158.1 Å²	158.1	84%	0.835	84%	0.836	S	S	*	*			trans	-128.3	118.4	170.1	0	0	0	0	0	110.1
17	T	27.3	Very low	26.4	Very low	151 Å²	151	154.1 Å²	154.1	93%	0.926	82%	0.824	S	S	*	*			trans	-136.5	138.4	161.6	46.9	0	0	0	0	107.7
18	G	25.6	Very low	26.6	Very low	55 Å²	55	157.4 Å²	157.4	57%	0.567	83%	0.826	S	S	*	*			trans	135.7	91.4	168.2	0	0	0	0	0	112.4
19	T	25.8	Very low	26.8	Very low	135 Å²	135	159.1 Å²	159.1	83%	0.828	83%	0.826	S	S	*	*				62.8	109.8	93.8	53.9	0	0	0	0	115.7
20	W	24.7	Very low	26.9	Very low	255 Å²	255	159 Å²	159	97%	0.966	82%	0.823	S	S	*	*			trans	-140.2	119.7	151.2	-76.2	93	0	0	0	110.5
21	R	28.5	Very low	27.1	Very low	216 Å²	216	159.5 Å²	159.5	82%	0.815	81%	0.814	S	S	*	*			trans	-89.1	158.5	158.4	-85.8	-178.3	175.9	-144.9	0.1	106.5
22	R	28.5	Very low	27.3	Very low	174 Å²	174	162.7 Å²	162.7	66%	0.657	82%	0.819	S	S	*	*			cis	174.7	138.6	-1	175.6	-173.6	-157.9	-173.6	5.5	104.1
23	F	26.1	Very low	27.5	Very low	220 Å²	220	163.5 Å²	163.5	97%	0.965	82%	0.818	S	S	*	*			trans	-156.1	141.9	146.2	-105.1	-78.1	0	0	0	108.6
24	M	27.8	Very low	27.7	Very low	131 Å²	131	156.6 Å²	156.6	65%	0.645	81%	0.813	S	S	*	*			trans	-134.9	163.5	-161.3	-135.6	-153.5	-69.5	0	0	110.4
25	K	28.7	Very low	27.8	Very low	174 Å²	174	149.9 Å²	149.9	76%	0.757	81%	0.805	S	S	*	*			trans	95.1	139.5	161.9	-63.9	-170.4	165.8	-162.9	0	117.3
26	D	29.6	Very low	27.9	Very low	137 Å²	137	150.2 Å²	150.2	73%	0.733	80%	0.801	S	S	*	*			cis	-165	148.5	-2.6	-102.6	-24.1	0	0	0	110
27	G	25.5	Very low	28.2	Very low	63 Å²	63	156.6 Å²	156.6	65%	0.649	80%	0.804	S	S	*	*			trans	83.9	108.2	133.6	0	0	0	0	0	121.8
28	R	25.7	Very low	28.4	Very low	256 Å²	256	157 Å²	157	97%	0.966	80%	0.8	S	S	*	*				170.1	146.4	97.4	-94.1	-179.4	-89.4	-148.1	-2	113.2
29	C	26.3	Very low	28.8	Very low	106 Å²	106	158.9 Å²	158.9	72%	0.716	81%	0.81	S	S	*	*			trans	-66	147.9	-177.3	-171.9	0	0	0	0	113.6
30	F	28.5	Very low	29.1	Very low	202 Å²	202	157.8 Å²	157.8	89%	0.886	81%	0.808	S	S	*	*			trans	-161.7	148.4	131.5	-98.2	-71.3	0	0	0	111.8
31	T	28.5	Very low	29.6	Very low	121 Å²	121	151.1 Å²	151.1	74%	0.742	80%	0.8	S	S	*	*			trans	-54.5	142.5	-167.9	49.2	0	0	0	0	118
32	T	29.1	Very low	29.8	Very low	144 Å²	144	145.9 Å²	145.9	88%	0.883	80%	0.797	S	S	*	*			trans	-111.3	116.8	159.6	52.8	0	0	0	0	110.6
33	S	32.5	Very low	30.4	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	80%	0.804	S	S	*	*			trans	-100.3	125.6	157.9	54	0	0	0	0	108.3
34	A	31.5	Very low	31.1	Very low	100 Å²	100	137.6 Å²	137.6	83%	0.826	80%	0.796	S	S	*	*			trans	-156	121.3	160.8	0	0	0	0	0	110.5
35	S	29.4	Very low	31.7	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	80%	0.8	S	S	*	*			trans	-34	135.1	177	43.6	0	0	0	0	118.4	R37	S35-R37 PolarHBondContact O-N 2.93Å
36	H	31	Very low	32.3	Very low	183 Å²	183	135.3 Å²	135.3	85%	0.847	81%	0.807	S	S	*	*			trans	-61.2	125	158.1	-77.8	-76.4	0	0	0	111.1
37	R	31.7	Very low	33.2	Very low	236 Å²	236	137.3 Å²	137.3	89%	0.891	81%	0.812	S	S	*	*			trans	-114.5	105.8	153.1	-76.8	-170.8	-177.6	-157.6	1.4	108.3	S35 A39	S35-R37 PolarHBondContact O-N 2.93Å; R37-A39 PolarHBondContact O-N 3.26Å
38	N	32.5	Very low	35.4	Very low	160 Å²	160	143.7 Å²	143.7	86%	0.856	82%	0.821	S	S	*	*			trans	-66.9	104.9	164.7	-84	-17	0	0	0	108.5
39	A	32	Very low	38	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	80%	0.796	S	S	*	*			trans	-101.2	100.5	158.5	0	0	0	0	0	106.9	R37 S41	R37-A39 PolarHBondContact O-N 3.26Å; A39-S41 PolarHBondContact O-N 3.36Å; A39-S41 VanDerWaalsContact O-N 3.07Å
40	S	32.2	Very low	41	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	78%	0.781	S	S	*	*			trans	-60.6	103.3	166.1	54.7	0	0	0	0	108.7	S42	S40-S42 PolarHBondContact O-N 2.86Å
41	S	35.8	Very low	44.2	Very low	115 Å²	115	125.3 Å²	125.3	80%	0.804	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.6	164.6	43.8	0	0	0	0	108.3	A39	A39-S41 PolarHBondContact O-N 3.36Å; A39-S41 VanDerWaalsContact O-N 3.07Å
42	S	33.6	Very low	47.5	Very low	106 Å²	106	121.6 Å²	121.6	74%	0.741	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-58.1	141.7	168.8	-63.5	0	0	0	0	109.5	S40 A44	S40-S42 PolarHBondContact O-N 2.86Å; S42-A44 PolarHBondContact O-N 3.16Å
43	P	40.5	Very low	50.8	Low	124 Å²	124	115.3 Å²	115.3	81%	0.805	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-63.4	124.6	173.3	25.9	-29.3	0	0	0	108.3	A45	P43-A45 PolarHBondContact O-N 3.05Å
44	A	40.7	Very low	54	Low	96 Å²	96	110 Å²	110	79%	0.793	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-50.6	135.7	172.5	0	0	0	0	0	109.4	S42 N46	S42-A44 PolarHBondContact O-N 3.16Å; A44-N46 PolarHBondContact O-N 3.24Å
45	A	39.8	Very low	57.2	Low	90 Å²	90	105.2 Å²	105.2	74%	0.744	61%	0.611	S	S	*	*			trans	-44.8	136.5	178.7	0	0	0	0	0	111.5	P43 Q47	P43-A45 PolarHBondContact O-N 3.05Å; A45-Q47 PolarHBondContact O-N 3Å
46	N	42.5	Very low	60.5	Low	166 Å²	166	100 Å²	100	89%	0.888	57%	0.574	S	S	*	*			trans	-56.9	78.6	179.6	-158.8	13.6	0	0	0	111	A44 K48	A44-N46 PolarHBondContact O-N 3.24Å; N46-K48 PolarHBondContact O-N 2.72Å
47	Q	48.2	Very low	63.7	Low	180 Å²	180	91.9 Å²	91.9	84%	0.841	54%	0.538	S	S	*	.			trans	-68	102.5	169.4	-81.9	-172.4	-2.3	0	0	107	A45 T49	A45-Q47 PolarHBondContact O-N 3Å; Q47-T49 PolarHBondContact O-N 2.57Å; Q47-T49 VanDerWaalsContact O-N 3.12Å
48	K	71.6	Confident	66.9	Low	196 Å²	196	81.1 Å²	81.1	85%	0.852	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-49.4	120.7	172.3	-142.1	178.8	-173.9	-176.1	0	107.7	N46	N46-K48 PolarHBondContact O-N 2.72Å
49	T	80.3	Confident	70.1	Confident	69 Å²	69	73.5 Å²	73.5	42%	0.423	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-55.9	131.2	178.1	-48.8	0	0	0	0	108.6	Q47 R296 F298	Q47-T49 PolarHBondContact O-N 2.57Å; Q47-T49 VanDerWaalsContact O-N 3.12Å; T49-R296 HydrophobicContact CG2-CB 4.21Å; T49-R296 VanDerWaalsContact CG2-O 3.29Å; T49-R296 WeakPolarHBondContact CG2-O 3.37Å; T49-F298 HydrophobicContact CG2-CD2 3.58Å; T49-F298 HydrophobicContact CG2-CE2 3.43Å; T49-F298 VanDerWaalsContact CG2-CE2 3.43Å
50	P	89.2	Confident	73.3	Confident	62 Å²	62	69.6 Å²	69.6	40%	0.403	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-64.4	140.9	-173.7	26.1	-34.8	0	0	0	111.2	Y52 V297 F298	P50-Y52 HydrophobicContact CB-CE2 3.96Å; P50-V297 HydrophobicContact CG-CG2 4.47Å; P50-F298 PolarHBondContact O-N 2.93Å
51	S	95.1	Very high	76.4	Confident	47 Å²	47	65 Å²	65	33%	0.329	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.6	174.3	-156.3	0	0	0	0	110.2	F298 D300	S51-F298 WeakPolarHBondContact CA-O 3.49Å; S51-F298 PolarHBondContact OG-O 3.46Å; S51-D300 PolarHBondContact OG-OD1 2.87Å; S51-D300 PolarHBondContact OG-OD2 3.38Å
52	Y	98.6	Very high	79.4	Confident	44 Å²	44	59.6 Å²	59.6	17%	0.173	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.5	-179.4	-63	-93.8	0	0	0	109.4	P50 Y54 S77 C79 K266 V297 F298 A299 D300	P50-Y52 HydrophobicContact CB-CE2 3.96Å; Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 3.42Å; Y52-S77 WeakPolarHBondContact CA-OG 3.3Å; Y52-C79 HydrophobicContact CD1-CB 4.09Å; Y52-C79 HydrophobicContact CD2-CB 3.44Å; Y52-C79 VanDerWaalsContact CD2-CB 3.44Å; Y52-C79 HydrophobicContact CE1-CB 4.29Å; Y52-C79 HydrophobicContact CE2-CB 3.65Å; Y52-C79 HydrophobicContact CG-CB 3.69Å; Y52-K266 HydrophobicContact CE1-CB 3.62Å; Y52-K266 HydrophobicContact CE1-CG 4.32Å; Y52-K266 WeakPolarHBondContact OH-CG 3.43Å; Y52-V297 HydrophobicContact CD2-CG2 3.61Å; Y52-V297 HydrophobicContact CE2-CG2 3.7Å; Y52-F298 PolarHBondContact N-O 2.79Å; Y52-F298 VanDerWaalsContact N-O 3.15Å; Y52-A299 CarbonylContact O-C 3.58Å; Y52-A299 VanDerWaalsContact O-CA 3.28Å; Y52-A299 WeakPolarHBondContact O-CA 3.29Å; Y52-D300 PolarHBondContact O-N 3.34Å
53	S	98.6	Very high	82.5	Confident	11 Å²	11	54.5 Å²	54.5	8%	0.077	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	-47.7	171.6	-60	0	0	0	0	110.7	E76 S77 K301 E302	S53-E76 WeakPolarHBondContact CB-OE2 3.07Å; S53-E76 WeakPolarHBondContact OG-CA 3.2Å; S53-E76 PolarHBondContact OG-OE2 2.92Å; S53-S77 WeakPolarHBondContact CA-O 3.42Å; S53-S77 VanDerWaalsContact CB-O 3.26Å; S53-S77 WeakPolarHBondContact CB-O 3.48Å; S53-S77 PolarHBondContact N-O 2.73Å; S53-S77 PolarHBondContact N-OG 2.64Å; S53-S77 PolarHBondContact OG-N 3.46Å; S53-S77 VanDerWaalsContact OG-N 3.14Å; S53-K301 WeakPolarHBondContact O-CA 3.36Å; S53-K301 WeakPolarHBondContact O-CB 3.37Å; S53-K301 PolarHBondContact O-N 3.12Å; S53-E302 PolarHBondContact O-N 3.2Å
54	Y	98.9	Very high	85.3	Confident	9 Å²	9	48.6 Å²	48.6	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.9	-178.6	-51.1	-82.5	0	0	0	111.7	Y52 L70 E76 S77 V78 C79 K301 E302 I304 I582	Y52-Y54 VanDerWaalsContact C-N 3.26Å; Y52-Y54 PolarHBondContact O-N 3.42Å; Y54-L70 HydrophobicContact CD1-CD1 4.33Å; Y54-L70 HydrophobicContact CD2-CB 4.35Å; Y54-L70 HydrophobicContact CD2-CD1 4.05Å; Y54-L70 HydrophobicContact CE2-CD2 4.47Å; Y54-L70 HydrophobicContact CG-CD1 3.95Å; Y54-E76 HydrophobicContact CD2-CB 4.46Å; Y54-E76 HydrophobicContact CE2-CB 3.99Å; Y54-E76 HydrophobicContact CE2-CG 4.03Å; Y54-S77 PolarHBondContact N-O 3.33Å; Y54-V78 HydrophobicContact CD2-CG2 4.16Å; Y54-V78 WeakPolarHBondContact O-CA 3.2Å; Y54-C79 PolarHBondContact O-N 3.48Å; Y54-K301 HydrophobicContact CD1-CB 4.39Å; Y54-K301 HydrophobicContact CE1-CB 4Å; Y54-K301 HydrophobicContact CE1-CD 4.38Å; Y54-K301 HydrophobicContact CE2-CD 4.47Å; Y54-E302 WeakPolarHBondContact CA-O 3.41Å; Y54-E302 HydrophobicContact CD1-CB 4.08Å; Y54-E302 HydrophobicContact CE1-CB 4.36Å; Y54-E302 HydrophobicContact CE1-CG 4.38Å; Y54-I304 HydrophobicContact CD1-CD1 4.06Å; Y54-I582 HydrophobicContact CD1-CG2 4.33Å; Y54-I582 HydrophobicContact CE1-CG2 3.51Å
55	V	98.9	Very high	88.1	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.7	165.6	176.6	0	0	0	0	108.3	V57 C79 L81 V286 V297 F298 A299 E302 V303 I304	V55-V57 HydrophobicContact CG1-CG2 4.48Å; V55-C79 WeakPolarHBondContact CA-O 3.34Å; V55-C79 HydrophobicContact CG2-CB 4.41Å; V55-L81 HydrophobicContact CG1-CD1 4.29Å; V55-V286 HydrophobicContact CG1-CG2 3.86Å; V55-V297 HydrophobicContact CG1-CG1 3.94Å; V55-V297 HydrophobicContact CG2-CG1 4.08Å; V55-V297 HydrophobicContact CG2-CG2 4.06Å; V55-F298 WeakPolarHBondContact CG2-O 3.46Å; V55-A299 HydrophobicContact CB-CB 4.3Å; V55-A299 HydrophobicContact CG2-CB 3.91Å; V55-E302 PolarHBondContact N-O 2.92Å; V55-E302 VanDerWaalsContact N-O 3.15Å; V55-V303 WeakPolarHBondContact O-CA 3.42Å; V55-I304 PolarHBondContact O-N 3.15Å
56	V	98.9	Very high	90.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.1	178.8	-177.5	0	0	0	0	109.2	L66 V78 C79 L80 L81 I304	V56-L66 HydrophobicContact CG1-CD1 4.44Å; V56-L66 HydrophobicContact CG2-CB 4.46Å; V56-V78 HydrophobicContact CG2-CG1 3.92Å; V56-C79 PolarHBondContact N-O 3.41Å; V56-L80 HydrophobicContact CB-CD1 3.74Å; V56-L80 HydrophobicContact CG1-CD1 3.56Å; V56-L80 WeakPolarHBondContact O-CA 3.15Å; V56-L81 PolarHBondContact O-N 3.32Å; V56-I304 CarbonylContact C-O 3.58Å; V56-I304 WeakPolarHBondContact CA-O 3.35Å; V56-I304 HydrophobicContact CG2-CB 4.42Å; V56-I304 HydrophobicContact CG2-CD1 4.34Å
57	V	98.9	Very high	93.6	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110	-177.6	-178.1	0	0	0	0	110.2	V55 T273 V286 I304 L305 S306 G307 L315	V55-V57 HydrophobicContact CG1-CG2 4.48Å; V57-T273 HydrophobicContact CG1-CG2 3.93Å; V57-T273 HydrophobicContact CG2-CG2 4.21Å; V57-V286 HydrophobicContact CG2-CG1 4Å; V57-I304 PolarHBondContact N-O 2.67Å; V57-L305 HydrophobicContact CB-CD2 4.05Å; V57-L305 HydrophobicContact CG2-CD2 4.01Å; V57-S306 CarbonylContact O-C 3.52Å; V57-S306 VanDerWaalsContact O-C 3.26Å; V57-S306 WeakPolarHBondContact O-CA 3.36Å; V57-S306 PolarHBondContact O-N 3.27Å; V57-G307 PolarHBondContact O-N 3.48Å; V57-L315 HydrophobicContact CG1-CD2 3.88Å
58	G	98.8	Very high	96	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	13%	0.132	C	C	.	.			trans	102.4	116	-178.9	0	0	0	0	0	111.9	G60 G63 L81	G58-G60 PolarHBondContact O-N 3.16Å; G58-G60 VanDerWaalsContact O-N 3.1Å; G58-G63 WeakPolarHBondContact O-CA 3.06Å; G58-L81 VanDerWaalsContact CA-O 3.29Å; G58-L81 WeakPolarHBondContact CA-O 3.42Å; G58-L81 PolarHBondContact N-O 3.42Å
59	A	98.6	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.			trans	-85.5	41.6	172.9	0	0	0	0	0	111.5	C64 L80 E82 G140 G141	A59-C64 PolarHBondContact O-SG 3.09Å; A59-L80 HydrophobicContact CB-CD1 4.24Å; A59-L80 HydrophobicContact CB-CD2 3.75Å; A59-L80 HydrophobicContact CB-CG 4.03Å; A59-E82 HydrophobicContact CB-CB 3.69Å; A59-E82 HydrophobicContact CB-CG 4.03Å; A59-E82 PolarHBondContact N-OE2 2.94Å; A59-G140 CarbonylContact O-C 3.56Å; A59-G140 VanDerWaalsContact O-CA 3.29Å; A59-G140 WeakPolarHBondContact O-CA 3.34Å; A59-G140 PolarHBondContact O-N 3.04Å; A59-G141 PolarHBondContact O-N 2.68Å
60	G	98.5	Very high	98.2	Very high	12 Å²	12	12.7 Å²	12.7	12%	0.124	8%	0.077	C	C	.	.	S	Bend	trans	-75.8	-164.1	177.4	0	0	0	0	0	113.8	G58 A62 C64	G58-G60 PolarHBondContact O-N 3.16Å; G58-G60 VanDerWaalsContact O-N 3.1Å; G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 2.7Å; G60-C64 WeakPolarHBondContact O-CB 3.33Å; G60-C64 PolarHBondContact O-N 3.46Å; G60-C64 PolarHBondContact O-SG 2.96Å
61	S	98.8	Very high	98.6	Very high	14 Å²	14	9.9 Å²	9.9	10%	0.098	6%	0.059	C	C	.	.	H	α-helix	trans	-56	-46.3	179.2	-58.5	0	0	0	0	112.5	V65 G140 S143 S251 N568	S61-V65 WeakPolarHBondContact O-CG2 3.32Å; S61-G140 PolarHBondContact N-O 3.14Å; S61-S143 WeakPolarHBondContact OG-CB 3.49Å; S61-S251 WeakPolarHBondContact CA-OG 3.38Å; S61-S251 WeakPolarHBondContact O-CB 3.42Å; S61-S251 PolarHBondContact O-OG 2.83Å; S61-N568 WeakPolarHBondContact CB-OD1 3.28Å; S61-N568 PolarHBondContact OG-OD1 3.26Å
62	A	98.9	Very high	98.8	Very high	2 Å²	2	10.9 Å²	10.9	2%	0.017	6%	0.058	C	C	.	.	H	α-helix	trans	-77.8	-45.3	178.7	0	0	0	0	0	113	G60 C64 V65 L66 V554 D555 T571 A575	G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 2.7Å; A62-C64 VanDerWaalsContact C-N 3.29Å; A62-C64 PolarHBondContact O-N 2.62Å; A62-V65 WeakPolarHBondContact O-CA 3.31Å; A62-V65 WeakPolarHBondContact O-CB 3.28Å; A62-V65 PolarHBondContact O-N 2.79Å; A62-L66 PolarHBondContact O-N 2.91Å; A62-V554 HydrophobicContact CB-CG1 4.43Å; A62-V554 WeakPolarHBondContact CB-O 3.18Å; A62-D555 HydrophobicContact CB-CB 4.3Å; A62-T571 HydrophobicContact CB-CG2 3.94Å; A62-A575 HydrophobicContact CB-CB 3.74Å
63	G	98.9	Very high	98.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-34.5	-177.7	0	0	0	0	0	113.6	G58 V65 L66 A67	G58-G63 WeakPolarHBondContact O-CA 3.06Å; G63-V65 VanDerWaalsContact C-N 3.35Å; G63-V65 PolarHBondContact O-N 3.21Å; G63-L66 PolarHBondContact O-N 3.5Å; G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 3.1Å
64	C	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-40	171.8	-72.6	0	0	0	0	112.6	A59 G60 A62 N68 Y255 L256	A59-C64 PolarHBondContact O-SG 3.09Å; G60-C64 WeakPolarHBondContact O-CB 3.33Å; G60-C64 PolarHBondContact O-N 3.46Å; G60-C64 PolarHBondContact O-SG 2.96Å; A62-C64 VanDerWaalsContact C-N 3.29Å; A62-C64 PolarHBondContact O-N 2.62Å; C64-N68 PolarHBondContact O-N 3.47Å; C64-Y255 WeakPolarHBondContact O-CB 3.41Å; C64-L256 HydrophobicContact CB-CB 4.2Å
65	V	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-49.6	177.5	175.3	0	0	0	0	110	S61 A62 G63 A67 N68 R69 Y255 I572 A575 E576	S61-V65 WeakPolarHBondContact O-CG2 3.32Å; A62-V65 WeakPolarHBondContact O-CA 3.31Å; A62-V65 WeakPolarHBondContact O-CB 3.28Å; A62-V65 PolarHBondContact O-N 2.79Å; G63-V65 VanDerWaalsContact C-N 3.35Å; G63-V65 PolarHBondContact O-N 3.21Å; V65-A67 PolarHBondContact O-N 3.18Å; V65-N68 PolarHBondContact O-N 3.34Å; V65-R69 HydrophobicContact CG1-CG 4.08Å; V65-R69 WeakPolarHBondContact O-CG 3.37Å; V65-R69 PolarHBondContact O-N 3.07Å; V65-Y255 HydrophobicContact CB-CD1 4.22Å; V65-Y255 HydrophobicContact CB-CE1 4.33Å; V65-Y255 HydrophobicContact CB-CG 4.41Å; V65-Y255 HydrophobicContact CG1-CD1 4.24Å; V65-Y255 HydrophobicContact CG1-CE1 4Å; V65-Y255 HydrophobicContact CG2-CD1 3.99Å; V65-Y255 HydrophobicContact CG2-CD2 3.73Å; V65-Y255 HydrophobicContact CG2-CE1 3.93Å; V65-Y255 HydrophobicContact CG2-CE2 3.71Å; V65-Y255 HydrophobicContact CG2-CG 3.88Å; V65-I572 HydrophobicContact CG2-CG1 4.45Å; V65-I572 HydrophobicContact CG2-CG2 3.99Å; V65-A575 HydrophobicContact CB-CB 3.76Å; V65-A575 HydrophobicContact CG1-CB 3.82Å; V65-A575 HydrophobicContact CG2-CB 4.25Å; V65-E576 HydrophobicContact CG1-CG 3.92Å
66	L	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-47.7	179.4	-70.2	165.8	0	0	0	111.8	V56 A62 G63 N68 R69 L70 I304 S306 V554 A579 I582	V56-L66 HydrophobicContact CG1-CD1 4.44Å; V56-L66 HydrophobicContact CG2-CB 4.46Å; A62-L66 PolarHBondContact O-N 2.91Å; G63-L66 PolarHBondContact O-N 3.5Å; L66-N68 VanDerWaalsContact C-N 3.26Å; L66-N68 PolarHBondContact O-N 2.94Å; L66-R69 PolarHBondContact O-N 3.18Å; L66-L70 HydrophobicContact CB-CD1 4.38Å; L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.48Å; L66-I304 HydrophobicContact CD1-CG2 3.69Å; L66-S306 WeakPolarHBondContact CD1-OG 3.37Å; L66-V554 HydrophobicContact CD1-CB 3.89Å; L66-V554 HydrophobicContact CD1-CG1 4Å; L66-V554 HydrophobicContact CD1-CG2 4.41Å; L66-V554 HydrophobicContact CD2-CG1 4.45Å; L66-V554 HydrophobicContact CG-CG1 4.49Å; L66-A579 HydrophobicContact CD2-CB 4.2Å; L66-I582 HydrophobicContact CD2-CD1 3.96Å
67	A	98.8	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-39.4	177.6	0	0	0	0	0	112.2	G63 V65 T71 V78 L80 L256 L265	G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 3.1Å; V65-A67 PolarHBondContact O-N 3.18Å; A67-T71 WeakPolarHBondContact O-CB 3.47Å; A67-T71 VanDerWaalsContact O-CG2 3.25Å; A67-T71 WeakPolarHBondContact O-CG2 3.38Å; A67-T71 PolarHBondContact O-OG1 2.87Å; A67-V78 HydrophobicContact CB-CG1 4.47Å; A67-L80 HydrophobicContact CB-CB 4.42Å; A67-L80 HydrophobicContact CB-CD1 4.41Å; A67-L80 HydrophobicContact CB-CD2 3.88Å; A67-L80 HydrophobicContact CB-CG 4.48Å; A67-L256 HydrophobicContact CB-CD1 4.42Å; A67-L265 HydrophobicContact CB-CD1 4.04Å
68	N	98.8	Very high	98.6	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-69.4	-55.4	174.2	-176	-57.3	0	0	0	111.4	C64 V65 L66 L70 T71 E72 Y255 A259 R262	C64-N68 PolarHBondContact O-N 3.47Å; V65-N68 PolarHBondContact O-N 3.34Å; L66-N68 VanDerWaalsContact C-N 3.26Å; L66-N68 PolarHBondContact O-N 2.94Å; N68-L70 PolarHBondContact O-N 3.48Å; N68-T71 PolarHBondContact O-N 3.09Å; N68-T71 PolarHBondContact O-OG1 3.32Å; N68-T71 VanDerWaalsContact O-OG1 3.14Å; N68-E72 PolarHBondContact O-N 3.28Å; N68-Y255 HydrophobicContact CB-CD1 4.15Å; N68-Y255 PolarHBondContact ND2-O 3.28Å; N68-A259 HydrophobicContact CB-CB 4.19Å; N68-R262 PolarHBondContact O-NH1 2.73Å
69	R	98.8	Very high	98.6	Very high	32 Å²	32	24.2 Å²	24.2	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-38.5	-171.1	-67.3	-55.3	-170.1	-167.9	-2.4	113	V65 L66 E72 E576 A579 R583	V65-R69 HydrophobicContact CG1-CG 4.08Å; V65-R69 WeakPolarHBondContact O-CG 3.37Å; V65-R69 PolarHBondContact O-N 3.07Å; L66-R69 PolarHBondContact O-N 3.18Å; R69-E72 VanDerWaalsContact CD-OE1 3.24Å; R69-E72 WeakPolarHBondContact CD-OE1 3.37Å; R69-E72 IonicContact CZ-OE1 2.67Å; R69-E72 IonicContact NE-OE1 3.89Å; R69-E72 IonicContact NH1-OE1 3.23Å; R69-E72 PolarHBondContact NH1-OE1 2.91Å; R69-E72 WeakPolarHBondContact O-CB 3.24Å; R69-E72 PolarHBondContact O-N 3.28Å; R69-E576 IonicContact CZ-OE1 3.93Å; R69-E576 VanDerWaalsContact CZ-OE1 3.28Å; R69-E576 IonicContact CZ-OE2 2.92Å; R69-E576 VanDerWaalsContact NE-CD 3.31Å; R69-E576 IonicContact NE-OE1 3.5Å; R69-E576 PolarHBondContact NE-OE1 2.96Å; R69-E576 IonicContact NE-OE2 3.28Å; R69-E576 PolarHBondContact NE-OE2 3.28Å; R69-E576 IonicContact NH2-OE1 3.94Å; R69-E576 PolarHBondContact NH2-OE1 2.85Å; R69-E576 IonicContact NH2-OE2 3.39Å; R69-A579 HydrophobicContact CB-CB 3.53Å; R69-A579 HydrophobicContact CG-CB 4.03Å; R69-R583 VanDerWaalsContact O-CZ 3.31Å; R69-R583 PolarHBondContact O-NH1 3.02Å
70	L	98.8	Very high	98.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-69.9	-33.9	179.6	-62.9	177.5	0	0	0	111.9	Y54 L66 N68 E72 D73 V78 I304 I582 R583	Y54-L70 HydrophobicContact CD1-CD1 4.33Å; Y54-L70 HydrophobicContact CD2-CB 4.35Å; Y54-L70 HydrophobicContact CD2-CD1 4.05Å; Y54-L70 HydrophobicContact CE2-CD2 4.47Å; Y54-L70 HydrophobicContact CG-CD1 3.95Å; L66-L70 HydrophobicContact CB-CD1 4.38Å; L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.47Å; L66-L70 PolarHBondContact O-N 3.48Å; N68-L70 PolarHBondContact O-N 3.48Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.15Å; L70-D73 PolarHBondContact O-N 3.49Å; L70-V78 HydrophobicContact CB-CG2 3.83Å; L70-I304 HydrophobicContact CD1-CD1 3.79Å; L70-I582 HydrophobicContact CD2-CB 4.06Å; L70-I582 HydrophobicContact CD2-CG2 3.58Å; L70-R583 HydrophobicContact CD2-CG 3.81Å
71	T	98.8	Very high	98.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.3	178.6	59.4	0	0	0	0	114.3	A67 N68 D73 V78 R262 N264 L265	A67-T71 WeakPolarHBondContact O-CB 3.47Å; A67-T71 VanDerWaalsContact O-CG2 3.25Å; A67-T71 WeakPolarHBondContact O-CG2 3.38Å; A67-T71 PolarHBondContact O-OG1 2.87Å; N68-T71 PolarHBondContact O-N 3.09Å; N68-T71 PolarHBondContact O-OG1 3.32Å; N68-T71 VanDerWaalsContact O-OG1 3.14Å; T71-D73 PolarHBondContact O-N 3.02Å; T71-V78 HydrophobicContact CG2-CB 3.63Å; T71-V78 HydrophobicContact CG2-CG2 3.42Å; T71-V78 VanDerWaalsContact CG2-CG2 3.42Å; T71-R262 PolarHBondContact OG1-NH1 3.35Å; T71-N264 PolarHBondContact O-ND2 3.39Å; T71-N264 VanDerWaalsContact O-ND2 3.09Å; T71-L265 HydrophobicContact CG2-CB 3.96Å; T71-L265 HydrophobicContact CG2-CD1 4.08Å
72	E	98.6	Very high	98.6	Very high	67 Å²	67	23.6 Å²	23.6	31%	0.313	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.5	166.7	-70.7	174.9	177.3	0	0	111.8	N68 R69 L70 R583	N68-E72 PolarHBondContact O-N 3.28Å; R69-E72 VanDerWaalsContact CD-OE1 3.24Å; R69-E72 WeakPolarHBondContact CD-OE1 3.37Å; R69-E72 IonicContact CZ-OE1 2.67Å; R69-E72 IonicContact NE-OE1 3.89Å; R69-E72 IonicContact NH1-OE1 3.23Å; R69-E72 PolarHBondContact NH1-OE1 2.91Å; R69-E72 WeakPolarHBondContact O-CB 3.24Å; R69-E72 PolarHBondContact O-N 3.28Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.15Å; E72-R583 IonicContact OE2-CZ 3.59Å; E72-R583 IonicContact OE2-NH1 2.72Å; E72-R583 PolarHBondContact OE2-NH1 3.01Å; E72-R583 IonicContact OE2-NH2 3.78Å
73	D	97.9	Very high	98.6	Very high	62 Å²	62	24.5 Å²	24.5	33%	0.332	14%	0.137	S	C	.	.	S	Bend	trans	-85.5	116.5	168.2	-168.9	-23.3	0	0	0	109.6	L70 T71 Q75 E76 N264	L70-D73 PolarHBondContact O-N 3.49Å; T71-D73 PolarHBondContact O-N 3.02Å; D73-Q75 PolarHBondContact O-N 3.19Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.48Å; D73-Q75 PolarHBondContact OD1-N 3.25Å; D73-E76 HydrophobicContact CB-CB 4.34Å; D73-E76 HydrophobicContact CB-CG 3.9Å; D73-E76 PolarHBondContact O-N 2.9Å; D73-E76 VanDerWaalsContact O-N 3.16Å; D73-N264 PolarHBondContact O-ND2 3.43Å
74	A	97.3	Very high	98.5	Very high	81 Å²	81	24.6 Å²	24.6	67%	0.669	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.3	-178.4	0	0	0	0	0	113.6	E76	A74-E76 VanDerWaalsContact C-N 3.35Å
75	Q	97.1	Very high	98.4	Very high	162 Å²	162	25.1 Å²	25.1	76%	0.757	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.1	175.6	-58.9	-56.6	-41.7	0	0	112.6	D73	D73-Q75 PolarHBondContact O-N 3.19Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.48Å; D73-Q75 PolarHBondContact OD1-N 3.25Å
76	E	98.1	Very high	98.4	Very high	25 Å²	25	30.1 Å²	30.1	12%	0.117	16%	0.163	C	C	.	.			trans	-97.1	138.1	179.6	-57.2	-53.2	151.1	0	0	111.1	S53 Y54 D73 A74 N264 K301	S53-E76 WeakPolarHBondContact CB-OE2 3.07Å; S53-E76 WeakPolarHBondContact OG-CA 3.2Å; S53-E76 PolarHBondContact OG-OE2 2.92Å; Y54-E76 HydrophobicContact CD2-CB 4.46Å; Y54-E76 HydrophobicContact CE2-CB 3.99Å; Y54-E76 HydrophobicContact CE2-CG 4.03Å; D73-E76 HydrophobicContact CB-CB 4.34Å; D73-E76 HydrophobicContact CB-CG 3.9Å; D73-E76 PolarHBondContact O-N 2.9Å; D73-E76 VanDerWaalsContact O-N 3.16Å; A74-E76 VanDerWaalsContact C-N 3.35Å; E76-N264 VanDerWaalsContact O-CB 3.28Å; E76-N264 WeakPolarHBondContact O-CB 3.35Å; E76-N264 PolarHBondContact O-ND2 3.26Å; E76-K301 IonicContact OE1-NZ 3.44Å; E76-K301 PolarHBondContact OE1-NZ 3.18Å; E76-K301 WeakPolarHBondContact OE2-CE 3.18Å; E76-K301 IonicContact OE2-NZ 2.57Å; E76-K301 PolarHBondContact OE2-NZ 3.39Å
77	S	98.7	Very high	98.2	Very high	33 Å²	33	30.2 Å²	30.2	23%	0.231	16%	0.164	C	C	.	.			trans	-114.6	140.4	175.3	61.2	0	0	0	0	111.4	Y52 S53 Y54 N264	Y52-S77 WeakPolarHBondContact CA-OG 3.3Å; S53-S77 WeakPolarHBondContact CA-O 3.42Å; S53-S77 VanDerWaalsContact CB-O 3.26Å; S53-S77 WeakPolarHBondContact CB-O 3.48Å; S53-S77 PolarHBondContact N-O 2.73Å; S53-S77 PolarHBondContact N-OG 2.64Å; S53-S77 PolarHBondContact OG-N 3.46Å; S53-S77 VanDerWaalsContact OG-N 3.14Å; Y54-S77 PolarHBondContact N-O 3.33Å; S77-N264 WeakPolarHBondContact CA-O 3.07Å
78	V	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	-177.5	178.7	0	0	0	0	110.5	Y54 V56 A67 L70 T71 N264 L265 K266	Y54-V78 HydrophobicContact CD2-CG2 4.16Å; Y54-V78 WeakPolarHBondContact O-CA 3.2Å; V56-V78 HydrophobicContact CG2-CG1 3.92Å; A67-V78 HydrophobicContact CB-CG1 4.47Å; L70-V78 HydrophobicContact CB-CG2 3.83Å; T71-V78 HydrophobicContact CG2-CB 3.63Å; T71-V78 HydrophobicContact CG2-CG2 3.42Å; T71-V78 VanDerWaalsContact CG2-CG2 3.42Å; V78-N264 PolarHBondContact N-O 2.8Å; V78-L265 HydrophobicContact CB-CD1 4Å; V78-L265 HydrophobicContact CG1-CD1 4.04Å; V78-K266 PolarHBondContact O-N 3.43Å
79	C	98.8	Very high	97.8	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.2	163.3	-173	0	0	0	0	110	Y52 Y54 V55 V56 K266 V297	Y52-C79 HydrophobicContact CD1-CB 4.09Å; Y52-C79 HydrophobicContact CD2-CB 3.44Å; Y52-C79 VanDerWaalsContact CD2-CB 3.44Å; Y52-C79 HydrophobicContact CE1-CB 4.29Å; Y52-C79 HydrophobicContact CE2-CB 3.65Å; Y52-C79 HydrophobicContact CG-CB 3.69Å; Y54-C79 PolarHBondContact O-N 3.48Å; V55-C79 WeakPolarHBondContact CA-O 3.34Å; V55-C79 HydrophobicContact CG2-CB 4.41Å; V56-C79 PolarHBondContact N-O 3.41Å; C79-K266 CarbonylContact C-O 3.54Å; C79-K266 WeakPolarHBondContact CA-O 3.22Å; C79-V297 HydrophobicContact CB-CG2 4.37Å
80	L	98.9	Very high	97.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.6	176.8	-179.5	67	0	0	0	110.1	V56 A59 A67 L256 K266 T267 E268	V56-L80 HydrophobicContact CB-CD1 3.74Å; V56-L80 HydrophobicContact CG1-CD1 3.56Å; V56-L80 WeakPolarHBondContact O-CA 3.15Å; A59-L80 HydrophobicContact CB-CD1 4.24Å; A59-L80 HydrophobicContact CB-CD2 3.75Å; A59-L80 HydrophobicContact CB-CG 4.03Å; A67-L80 HydrophobicContact CB-CB 4.42Å; A67-L80 HydrophobicContact CB-CD1 4.41Å; A67-L80 HydrophobicContact CB-CD2 3.88Å; A67-L80 HydrophobicContact CB-CG 4.48Å; L80-L256 HydrophobicContact CD2-CD1 3.6Å; L80-L256 HydrophobicContact CD2-CD2 4.07Å; L80-L256 HydrophobicContact CD2-CG 4.49Å; L80-K266 PolarHBondContact N-O 2.89Å; L80-T267 HydrophobicContact CB-CG2 4.36Å; L80-T267 HydrophobicContact CD2-CG2 4.4Å; L80-T267 WeakPolarHBondContact O-CA 3.35Å; L80-E268 PolarHBondContact O-N 3.3Å
81	L	98.9	Very high	97.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.7	179.7	-55.5	-177.9	0	0	0	110.9	V55 V56 G58 E268 C271 V286 Y288 V297	V55-L81 HydrophobicContact CG1-CD1 4.29Å; V56-L81 PolarHBondContact O-N 3.32Å; G58-L81 VanDerWaalsContact CA-O 3.29Å; G58-L81 WeakPolarHBondContact CA-O 3.42Å; G58-L81 PolarHBondContact N-O 3.42Å; L81-E268 HydrophobicContact CD2-CB 3.85Å; L81-E268 HydrophobicContact CD2-CG 4.33Å; L81-C271 HydrophobicContact CB-CB 4.24Å; L81-V286 HydrophobicContact CD1-CG2 3.64Å; L81-Y288 HydrophobicContact CD1-CD1 3.89Å; L81-Y288 HydrophobicContact CD1-CE1 4.32Å; L81-Y288 HydrophobicContact CD1-CG 4.26Å; L81-V297 HydrophobicContact CD1-CG1 4.03Å
82	E	98.8	Very high	96.9	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.051	27%	0.266	C	S	.	.			trans	-126.5	133.9	174.7	175.3	50.7	-139.7	0	0	111.9	A59 G84 V138 E268 V269 H270 C271	A59-E82 HydrophobicContact CB-CB 3.69Å; A59-E82 HydrophobicContact CB-CG 4.03Å; A59-E82 PolarHBondContact N-OE2 2.94Å; E82-G84 PolarHBondContact OE1-N 2.68Å; E82-V138 PolarHBondContact OE1-N 3.14Å; E82-E268 PolarHBondContact N-O 2.82Å; E82-V269 CarbonylContact O-C 3.6Å; E82-V269 WeakPolarHBondContact O-CA 3.45Å; E82-H270 PolarHBondContact O-N 2.7Å; E82-C271 CarbonylContact C-O 3.43Å; E82-C271 PolarHBondContact O-N 2.63Å
83	A	98.4	Very high	96.6	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	26%	0.256	C	S	.	.	S	Bend	trans	-69.9	-35.3	177.3	0	0	0	0	0	112.4	W116 R137 H270 C271 M272	A83-W116 HydrophobicContact CB-CH2 3.85Å; A83-W116 HydrophobicContact CB-CZ2 3.76Å; A83-R137 HydrophobicContact CB-CG 4.31Å; A83-H270 WeakPolarHBondContact O-CA 3.39Å; A83-C271 WeakPolarHBondContact CA-O 3.28Å; A83-C271 PolarHBondContact N-O 3.44Å; A83-M272 HydrophobicContact CB-CE 4.48Å; A83-M272 HydrophobicContact CB-SD 4.25Å
84	G	97.8	Very high	96.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	26%	0.258	C	S	.	.	S	Bend	trans	-82.6	179.8	177.2	0	0	0	0	0	115.9	E82 R137 V269 H270	E82-G84 PolarHBondContact OE1-N 2.68Å; G84-R137 WeakPolarHBondContact CA-O 3.23Å; G84-V269 WeakPolarHBondContact O-CB 3.42Å; G84-H270 PolarHBondContact O-N 3.01Å
85	P	97.3	Very high	96.2	Very high	11 Å²	11	47.9 Å²	47.9	7%	0.071	25%	0.247	C	C	.	.			trans	-75.2	176.7	172.8	31.9	-34.4	0	0	0	112.4	K113 Y114 R137 V138 W139	P85-K113 WeakPolarHBondContact CD-O 3.31Å; P85-K113 HydrophobicContact CG-CG 4.22Å; P85-Y114 HydrophobicContact CG-CD1 3.75Å; P85-Y114 HydrophobicContact CG-CE1 3.74Å; P85-R137 WeakPolarHBondContact CD-O 3.29Å; P85-V138 HydrophobicContact CG-CG2 4.33Å; P85-V138 CarbonylContact O-C 3.44Å; P85-V138 WeakPolarHBondContact O-CA 3.24Å; P85-V138 WeakPolarHBondContact O-CG2 3.44Å; P85-W139 PolarHBondContact O-N 2.83Å
86	K	97.7	Very high	96.1	Very high	105 Å²	105	40.4 Å²	40.4	46%	0.457	21%	0.213	S	C	.	.			trans	-64.3	153.5	162.5	-56.5	-173.6	178.6	-179.5	0	110.8	K88 W139 V269	K86-K88 VanDerWaalsContact C-N 3.25Å; K86-K88 PolarHBondContact O-N 2.74Å; K86-W139 HydrophobicContact CB-CD2 4.04Å; K86-W139 HydrophobicContact CB-CE3 3.83Å; K86-W139 HydrophobicContact CB-CZ3 4.17Å; K86-W139 HydrophobicContact CD-CE3 4.25Å; K86-W139 HydrophobicContact CD-CH2 3.61Å; K86-W139 HydrophobicContact CD-CZ2 4.05Å; K86-W139 HydrophobicContact CD-CZ3 3.71Å; K86-W139 VanDerWaalsContact CE-CH2 3.46Å; K86-W139 HydrophobicContact CG-CD2 3.87Å; K86-W139 HydrophobicContact CG-CE3 3.81Å; K86-W139 HydrophobicContact CG-CH2 3.79Å; K86-W139 HydrophobicContact CG-CZ2 3.8Å; K86-W139 HydrophobicContact CG-CZ3 3.78Å; K86-V269 HydrophobicContact CG-CG1 3.88Å; K86-V269 HydrophobicContact CG-CG2 4.5Å
87	D	96.2	Very high	96	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.011	22%	0.224	C	C	.	.	S	Bend	trans	-76.5	-10.6	178	70.8	-44.9	0	0	0	113.4	S96 I99 H100 V138 W139 R257	D87-S96 WeakPolarHBondContact O-CB 3.23Å; D87-S96 PolarHBondContact O-OG 3.35Å; D87-S96 VanDerWaalsContact O-OG 3.12Å; D87-I99 HydrophobicContact CB-CD1 4.45Å; D87-H100 PolarHBondContact O-NE2 2.67Å; D87-H100 IonicContact OD2-CE1 3.76Å; D87-H100 PolarHBondContact OD2-CE1 2.97Å; D87-H100 VanDerWaalsContact OD2-CE1 3.24Å; D87-H100 IonicContact OD2-NE2 3.65Å; D87-V138 HydrophobicContact CB-CG2 4.1Å; D87-W139 HydrophobicContact CB-CB 4.18Å; D87-R257 IonicContact OD2-CZ 2.67Å; D87-R257 IonicContact OD2-NH1 3.49Å; D87-R257 PolarHBondContact OD2-NH1 2.81Å
88	K	95.9	Very high	95.8	Very high	58 Å²	58	45.2 Å²	45.2	25%	0.252	23%	0.227	S	C	.	.	S	Bend	trans	-119.6	129.9	175.5	-64.3	-167.8	-177.1	-172.4	0	111.8	K86 G91 S93 S96	K86-K88 VanDerWaalsContact C-N 3.25Å; K86-K88 PolarHBondContact O-N 2.74Å; K88-G91 VanDerWaalsContact CD-O 3.3Å; K88-G91 WeakPolarHBondContact CD-O 3.45Å; K88-S93 WeakPolarHBondContact CE-OG 3.28Å; K88-S96 WeakPolarHBondContact CA-OG 3.27Å
89	W	91.7	Very high	95.7	Very high	141 Å²	141	45.2 Å²	45.2	53%	0.534	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-88.6	128.7	167.9	-173.7	50.9	0	0	0	109.8	G91 S92 L95 S96	W89-G91 PolarHBondContact O-N 3.15Å; W89-G91 VanDerWaalsContact O-N 3.09Å; W89-S92 PolarHBondContact O-N 2.76Å; W89-L95 HydrophobicContact CB-CB 4.41Å; W89-L95 HydrophobicContact CD2-CD1 4.44Å; W89-L95 HydrophobicContact CE3-CB 3.77Å; W89-L95 HydrophobicContact CE3-CD1 3.76Å; W89-L95 HydrophobicContact CE3-CD2 4.32Å; W89-L95 HydrophobicContact CE3-CG 4.15Å; W89-L95 HydrophobicContact CZ3-CB 4.41Å; W89-L95 HydrophobicContact CZ3-CD1 3.88Å; W89-L95 HydrophobicContact CZ3-CD2 4.11Å; W89-L95 HydrophobicContact CZ3-CG 4.36Å; W89-S96 PolarHBondContact N-OG 3.28Å
90	L	91.7	Very high	95.6	Very high	136 Å²	136	45 Å²	45	71%	0.712	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	34.9	-173.9	-59.5	174.1	0	0	0	113.6	S92 L95	L90-S92 PolarHBondContact O-N 3.44Å; L90-L95 HydrophobicContact CB-CD1 4.21Å; L90-L95 HydrophobicContact CD1-CD1 4.32Å
91	G	91.4	Very high	95.5	Very high	59 Å²	59	45.7 Å²	45.7	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	3.9	-179.1	0	0	0	0	0	115.5	K88 W89	K88-G91 VanDerWaalsContact CD-O 3.3Å; K88-G91 WeakPolarHBondContact CD-O 3.45Å; W89-G91 PolarHBondContact O-N 3.15Å; W89-G91 VanDerWaalsContact O-N 3.09Å
92	S	94.1	Very high	95.4	Very high	33 Å²	33	45.7 Å²	45.7	23%	0.231	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-104.8	124.7	-174.4	178.7	0	0	0	0	113	W89 L90 R94 L95 S96	W89-S92 PolarHBondContact O-N 2.76Å; L90-S92 PolarHBondContact O-N 3.44Å; S92-R94 VanDerWaalsContact C-N 3.27Å; S92-R94 PolarHBondContact O-N 3.07Å; S92-R94 PolarHBondContact OG-N 3.27Å; S92-L95 PolarHBondContact OG-N 2.66Å; S92-S96 PolarHBondContact O-N 2.93Å
93	S	92.6	Very high	95.2	Very high	15 Å²	15	47 Å²	47	11%	0.105	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.9	170.2	-71.8	0	0	0	0	112.5	K88 S96 W97 H100	K88-S93 WeakPolarHBondContact CE-OG 3.28Å; S93-S96 CarbonylContact O-C 3.54Å; S93-S96 VanDerWaalsContact O-C 3.28Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-W97 PolarHBondContact O-N 2.8Å; S93-H100 PolarHBondContact OG-ND1 3.41Å
94	R	94.1	Very high	94.9	Very high	101 Å²	101	46 Å²	46	38%	0.381	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-41.4	179.3	-68.7	175.8	171.2	98.5	-2.8	111.5	S92 S96 W97 L380 T381 F383	S92-R94 VanDerWaalsContact C-N 3.27Å; S92-R94 PolarHBondContact O-N 3.07Å; S92-R94 PolarHBondContact OG-N 3.27Å; R94-S96 VanDerWaalsContact C-N 3.25Å; R94-S96 PolarHBondContact O-N 2.96Å; R94-W97 WeakPolarHBondContact O-CB 3.42Å; R94-W97 PolarHBondContact O-N 3.21Å; R94-L380 HydrophobicContact CB-CD2 3.82Å; R94-L380 VanDerWaalsContact CD-O 3.23Å; R94-L380 WeakPolarHBondContact CD-O 3.39Å; R94-L380 HydrophobicContact CG-CD2 4.24Å; R94-L380 PolarHBondContact NE-O 3Å; R94-T381 PolarHBondContact NH2-O 3.08Å; R94-T381 VanDerWaalsContact NH2-O 3.15Å; R94-F383 HydrophobicContact CG-CE1 3.8Å; R94-F383 HydrophobicContact CG-CZ 3.78Å; R94-F383 VanDerWaalsContact NH2-CE2 3.33Å
95	L	94.1	Very high	94.4	Very high	84 Å²	84	47.8 Å²	47.8	44%	0.44	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.8	176.8	-69.8	-175.6	0	0	0	112.5	W89 L90 S92	W89-L95 HydrophobicContact CB-CB 4.41Å; W89-L95 HydrophobicContact CD2-CD1 4.44Å; W89-L95 HydrophobicContact CE3-CB 3.77Å; W89-L95 HydrophobicContact CE3-CD1 3.76Å; W89-L95 HydrophobicContact CE3-CD2 4.32Å; W89-L95 HydrophobicContact CE3-CG 4.15Å; W89-L95 HydrophobicContact CZ3-CB 4.41Å; W89-L95 HydrophobicContact CZ3-CD1 3.88Å; W89-L95 HydrophobicContact CZ3-CD2 4.11Å; W89-L95 HydrophobicContact CZ3-CG 4.36Å; L90-L95 HydrophobicContact CB-CD1 4.21Å; L90-L95 HydrophobicContact CD1-CD1 4.32Å; S92-L95 PolarHBondContact OG-N 2.66Å
96	S	95	Very high	93.9	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.035	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	36	171.9	-67.8	0	0	0	0	112.8	D87 K88 W89 S92 S93 R94 K98 I99 H100	D87-S96 WeakPolarHBondContact O-CB 3.23Å; D87-S96 PolarHBondContact O-OG 3.35Å; D87-S96 VanDerWaalsContact O-OG 3.12Å; K88-S96 WeakPolarHBondContact CA-OG 3.27Å; W89-S96 PolarHBondContact N-OG 3.28Å; S92-S96 PolarHBondContact O-N 2.93Å; S93-S96 CarbonylContact O-C 3.54Å; S93-S96 VanDerWaalsContact O-C 3.28Å; S93-S96 PolarHBondContact O-N 2.92Å; R94-S96 VanDerWaalsContact C-N 3.25Å; R94-S96 PolarHBondContact O-N 2.96Å; S96-K98 PolarHBondContact O-N 3.2Å; S96-I99 PolarHBondContact O-N 2.73Å; S96-H100 PolarHBondContact O-CD2 2.76Å; S96-H100 PolarHBondContact O-N 3.44Å; S96-H100 VanDerWaalsContact O-N 3.17Å
97	W	95.2	Very high	93.4	Very high	93 Å²	93	49 Å²	49	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-52.3	-33.7	-173.3	64	-91.8	0	0	0	114.3	S93 R94 I99 H100 M101 A104 Y107 W379	S93-W97 PolarHBondContact O-N 2.8Å; R94-W97 WeakPolarHBondContact O-CB 3.42Å; R94-W97 PolarHBondContact O-N 3.21Å; W97-I99 PolarHBondContact O-N 3.12Å; W97-I99 VanDerWaalsContact O-N 3.13Å; W97-H100 PolarHBondContact O-N 3.39Å; W97-M101 HydrophobicContact CB-CE 4.41Å; W97-M101 HydrophobicContact CE3-CE 4.47Å; W97-M101 WeakPolarHBondContact O-CB 3.42Å; W97-M101 PolarHBondContact O-N 3.24Å; W97-A104 HydrophobicContact CE3-CB 3.83Å; W97-A104 HydrophobicContact CZ3-CB 3.83Å; W97-Y107 HydrophobicContact CH2-CD1 4.18Å; W97-Y107 HydrophobicContact CH2-CD2 4.47Å; W97-Y107 HydrophobicContact CH2-CG 4.1Å; W97-Y107 HydrophobicContact CZ3-CD2 4.12Å; W97-Y107 HydrophobicContact CZ3-CG 4.1Å; W97-W379 HydrophobicContact CB-CZ3 3.98Å
98	K	94.6	Very high	92.8	Very high	66 Å²	66	49 Å²	49	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-55.9	-31.8	176.9	-62.4	-173.3	-174	-177.7	0	113.1	S96 N108 D111	S96-K98 PolarHBondContact O-N 3.2Å; K98-N108 HydrophobicContact CB-CB 4.42Å; K98-N108 WeakPolarHBondContact O-CB 3.44Å; K98-N108 PolarHBondContact O-ND2 3.02Å; K98-D111 WeakPolarHBondContact CD-OD2 3.25Å; K98-D111 IonicContact NZ-OD2 2.69Å; K98-D111 PolarHBondContact NZ-OD2 2.68Å
99	I	95.9	Very high	92.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-87.8	-51.6	176.3	-66.7	171	0	0	0	109.7	D87 S96 W97 Y114 V138 R248	D87-I99 HydrophobicContact CB-CD1 4.45Å; S96-I99 PolarHBondContact O-N 2.73Å; W97-I99 PolarHBondContact O-N 3.12Å; W97-I99 VanDerWaalsContact O-N 3.13Å; I99-Y114 HydrophobicContact CD1-CD1 3.89Å; I99-Y114 HydrophobicContact CD1-CD2 4.26Å; I99-Y114 HydrophobicContact CD1-CE1 3.84Å; I99-Y114 HydrophobicContact CD1-CE2 4.22Å; I99-Y114 HydrophobicContact CD1-CG 4.09Å; I99-Y114 HydrophobicContact CG1-CD2 4.4Å; I99-Y114 HydrophobicContact CG1-CE2 4.49Å; I99-V138 HydrophobicContact CD1-CG2 4.06Å; I99-R248 WeakPolarHBondContact O-CD 3.42Å; I99-R248 PolarHBondContact O-NE 3.02Å
100	H	97.4	Very high	91.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-84.9	-22.6	-164.2	-67.4	-87.1	0	0	0	114.6	D87 S93 S96 W97 P102 K247 R248 W379	D87-H100 PolarHBondContact O-NE2 2.67Å; D87-H100 IonicContact OD2-CE1 3.76Å; D87-H100 PolarHBondContact OD2-CE1 2.97Å; D87-H100 VanDerWaalsContact OD2-CE1 3.24Å; D87-H100 IonicContact OD2-NE2 3.65Å; S93-H100 PolarHBondContact OG-ND1 3.41Å; S96-H100 PolarHBondContact O-CD2 2.76Å; S96-H100 PolarHBondContact O-N 3.44Å; S96-H100 VanDerWaalsContact O-N 3.17Å; W97-H100 PolarHBondContact O-N 3.39Å; H100-P102 VanDerWaalsContact O-CD 3.26Å; H100-P102 WeakPolarHBondContact O-CD 3.34Å; H100-K247 WeakPolarHBondContact O-CA 3.39Å; H100-R248 PolarHBondContact O-N 3.38Å; H100-W379 HydrophobicContact CB-CH2 3.86Å; H100-W379 HydrophobicContact CB-CZ2 4.15Å; H100-W379 WeakPolarHBondContact O-CZ2 3.49Å
101	M	97.6	Very high	91.6	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.074	21%	0.208	C	C	.	.			trans	-81.3	115.1	175.7	-177.2	-171.3	-64	0	0	109.4	W97 A103 A104 W379 G387	W97-M101 HydrophobicContact CB-CE 4.41Å; W97-M101 HydrophobicContact CE3-CE 4.47Å; W97-M101 WeakPolarHBondContact O-CB 3.42Å; W97-M101 PolarHBondContact O-N 3.24Å; M101-A103 VanDerWaalsContact C-N 3.33Å; M101-A103 PolarHBondContact O-N 3.36Å; M101-A104 HydrophobicContact CB-CB 3.94Å; M101-A104 HydrophobicContact CG-CB 4.24Å; M101-A104 WeakPolarHBondContact O-CB 3.34Å; M101-A104 PolarHBondContact O-N 3.08Å; M101-A104 HydrophobicContact SD-CB 4.14Å; M101-W379 VanDerWaalsContact CA-CZ2 3.48Å; M101-W379 HydrophobicContact CB-CD2 3.94Å; M101-W379 HydrophobicContact CB-CE3 4.19Å; M101-W379 HydrophobicContact CB-CH2 4.12Å; M101-W379 HydrophobicContact CB-CZ2 3.86Å; M101-W379 HydrophobicContact CB-CZ3 4.27Å; M101-W379 HydrophobicContact CE-CB 3.9Å; M101-W379 HydrophobicContact CE-CD2 3.7Å; M101-W379 HydrophobicContact CE-CE3 3.53Å; M101-W379 HydrophobicContact CE-CG 3.86Å; M101-W379 HydrophobicContact CE-CZ3 4.32Å; M101-W379 HydrophobicContact CG-CD2 3.89Å; M101-W379 HydrophobicContact CG-CE3 4.44Å; M101-W379 HydrophobicContact CG-CG 3.98Å; M101-G387 WeakPolarHBondContact CG-O 3.43Å
102	P	96.2	Very high	91.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-51	-45.9	180	-35.2	41.1	0	0	0	114.9	H100 A104 L105 M148 I243 G246 G387 T389	H100-P102 VanDerWaalsContact O-CD 3.26Å; H100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-A104 PolarHBondContact O-N 3.4Å; P102-A104 VanDerWaalsContact O-N 3.16Å; P102-L105 PolarHBondContact O-N 3.07Å; P102-M148 HydrophobicContact CB-CE 3.71Å; P102-M148 HydrophobicContact CB-SD 3.7Å; P102-M148 HydrophobicContact CG-SD 3.97Å; P102-M148 WeakPolarHBondContact O-CE 3.42Å; P102-I243 HydrophobicContact CB-CD1 3.76Å; P102-I243 HydrophobicContact CB-CG1 4.42Å; P102-I243 HydrophobicContact CG-CD1 3.85Å; P102-I243 HydrophobicContact CG-CG1 4.07Å; P102-I243 HydrophobicContact CG-CG2 4.2Å; P102-G246 WeakPolarHBondContact CD-O 3.12Å; P102-G387 WeakPolarHBondContact CD-O 2.9Å; P102-T389 CarbonylContact C-O 3.26Å; P102-T389 WeakPolarHBondContact CB-O 3.36Å
103	A	94.6	Very high	91.2	Very high	38 Å²	38	43.2 Å²	43.2	31%	0.314	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-69	-12.6	-178.9	0	0	0	0	0	114	M101 L105 Y386 G387 T389	M101-A103 VanDerWaalsContact C-N 3.33Å; M101-A103 PolarHBondContact O-N 3.36Å; A103-L105 PolarHBondContact O-N 2.55Å; A103-Y386 WeakPolarHBondContact CB-O 3.18Å; A103-G387 PolarHBondContact N-O 3.46Å; A103-T389 WeakPolarHBondContact CA-O 3.4Å; A103-T389 PolarHBondContact N-O 3.26Å; A103-T389 VanDerWaalsContact N-O 3.16Å
104	A	92.6	Very high	91.3	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-84.8	12.8	179.9	0	0	0	0	0	113.8	W97 M101 P102 T106 Y107	W97-A104 HydrophobicContact CE3-CB 3.83Å; W97-A104 HydrophobicContact CZ3-CB 3.83Å; M101-A104 HydrophobicContact CB-CB 3.94Å; M101-A104 HydrophobicContact CG-CB 4.24Å; M101-A104 WeakPolarHBondContact O-CB 3.34Å; M101-A104 PolarHBondContact O-N 3.08Å; M101-A104 HydrophobicContact SD-CB 4.14Å; P102-A104 PolarHBondContact O-N 3.4Å; P102-A104 VanDerWaalsContact O-N 3.16Å; A104-T106 VanDerWaalsContact C-N 3.32Å; A104-T106 PolarHBondContact O-N 3.07Å; A104-T106 VanDerWaalsContact O-N 3.17Å; A104-Y107 HydrophobicContact CB-CD2 4.13Å; A104-Y107 WeakPolarHBondContact O-CB 3.36Å; A104-Y107 PolarHBondContact O-N 2.72Å
105	L	87.5	Confident	91.3	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.199	19%	0.194	C	C	.	.	H	α-helix	trans	-39.1	-54.5	-179.4	172.6	60.7	0	0	0	113.7	P102 A103 Y107 N108 L109 L145 N146 A147	P102-L105 PolarHBondContact O-N 3.07Å; A103-L105 PolarHBondContact O-N 2.55Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 2.69Å; L105-N108 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-ND2 3.08Å; L105-N108 PolarHBondContact O-OD1 3.35Å; L105-L109 HydrophobicContact CD1-CD1 4.43Å; L105-L145 WeakPolarHBondContact CD1-O 3.4Å; L105-N146 VanDerWaalsContact CD1-O 3.26Å; L105-N146 WeakPolarHBondContact CD1-O 3.2Å; L105-A147 HydrophobicContact CD2-CB 3.86Å
106	T	84.9	Confident	91.4	Very high	43 Å²	43	35.8 Å²	35.8	26%	0.264	18%	0.178	S	C	.	.	H	α-helix	trans	-68.2	-25.3	-174.4	55.8	0	0	0	0	113.2	A104 C110	A104-T106 VanDerWaalsContact C-N 3.32Å; A104-T106 PolarHBondContact O-N 3.07Å; A104-T106 VanDerWaalsContact O-N 3.17Å; T106-C110 PolarHBondContact O-N 2.91Å; T106-C110 PolarHBondContact O-SG 3.1Å; T106-C110 VanDerWaalsContact O-SG 3.36Å
107	Y	87.6	Confident	91.3	Very high	100 Å²	100	38.1 Å²	38.1	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-72	-33.9	179.8	-68.5	-83	0	0	0	113	W97 A104 L105 M372	W97-Y107 HydrophobicContact CH2-CD1 4.18Å; W97-Y107 HydrophobicContact CH2-CD2 4.47Å; W97-Y107 HydrophobicContact CH2-CG 4.1Å; W97-Y107 HydrophobicContact CZ3-CD2 4.12Å; W97-Y107 HydrophobicContact CZ3-CG 4.1Å; A104-Y107 HydrophobicContact CB-CD2 4.13Å; A104-Y107 WeakPolarHBondContact O-CB 3.36Å; A104-Y107 PolarHBondContact O-N 2.72Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 2.69Å; Y107-M372 WeakPolarHBondContact OH-CE 3.26Å
108	N	83.6	Confident	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-77.9	-30.4	177.8	66.2	48.7	0	0	0	112.4	K98 L105 C110 D111 L145	K98-N108 HydrophobicContact CB-CB 4.42Å; K98-N108 WeakPolarHBondContact O-CB 3.44Å; K98-N108 PolarHBondContact O-ND2 3.02Å; L105-N108 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-ND2 3.08Å; L105-N108 PolarHBondContact O-OD1 3.35Å; N108-C110 PolarHBondContact O-N 2.89Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-L145 HydrophobicContact CB-CG 4.34Å; N108-L145 WeakPolarHBondContact OD1-CG 3.4Å; N108-L145 PolarHBondContact OD1-O 3.33Å
109	L	85.9	Confident	91.5	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-30.4	174.8	-60.8	177.3	0	0	0	110.7	L105 N115 F117 Y132 P134 L145 Y521	L105-L109 HydrophobicContact CD1-CD1 4.43Å; L109-N115 PolarHBondContact O-ND2 2.81Å; L109-F117 WeakPolarHBondContact O-CZ 3.18Å; L109-Y132 PolarHBondContact O-OH 2.89Å; L109-P134 HydrophobicContact CD2-CB 3.83Å; L109-P134 HydrophobicContact CD2-CG 4.02Å; L109-L145 HydrophobicContact CD2-CB 4.22Å; L109-L145 HydrophobicContact CD2-CD2 4.33Å; L109-Y521 HydrophobicContact CD1-CE2 4.36Å
110	C	83.9	Confident	91.6	Very high	62 Å²	62	35.7 Å²	35.7	42%	0.419	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	12	179.7	-57.9	0	0	0	0	114.3	T106 N108	T106-C110 PolarHBondContact O-N 2.91Å; T106-C110 PolarHBondContact O-SG 3.1Å; T106-C110 VanDerWaalsContact O-SG 3.36Å; N108-C110 PolarHBondContact O-N 2.89Å
111	D	85	Confident	91.7	Very high	29 Å²	29	38.9 Å²	38.9	16%	0.155	20%	0.198	C	C	.	.			trans	-112.5	107.7	-176.5	-163.3	-32.1	0	0	0	111.6	K98 N108 K113 Y114 N115	K98-D111 WeakPolarHBondContact CD-OD2 3.25Å; K98-D111 IonicContact NZ-OD2 2.69Å; K98-D111 PolarHBondContact NZ-OD2 2.68Å; N108-D111 PolarHBondContact O-N 3.31Å; D111-K113 PolarHBondContact O-N 2.82Å; D111-K113 VanDerWaalsContact O-N 3.09Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 PolarHBondContact OD1-N 2.89Å; D111-Y114 HydrophobicContact CB-CD2 4.09Å; D111-Y114 PolarHBondContact O-N 3.13Å; D111-N115 WeakPolarHBondContact O-CB 3.3Å; D111-N115 PolarHBondContact O-N 3.3Å
112	D	87.1	Confident	91.7	Very high	100 Å²	100	41.4 Å²	41.4	54%	0.535	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.6	-27.4	179	-174.6	14.6	0	0	0	112.1	Y114 N115 F117 R137	D112-Y114 PolarHBondContact O-N 2.92Å; D112-Y114 VanDerWaalsContact O-N 3.08Å; D112-N115 PolarHBondContact O-N 2.74Å; D112-F117 HydrophobicContact CB-CD2 4.28Å; D112-F117 HydrophobicContact CB-CE2 3.95Å; D112-F117 VanDerWaalsContact N-CE2 3.34Å; D112-R137 PolarHBondContact O-NH2 3.47Å; D112-R137 IonicContact OD1-NH2 3.93Å; D112-R137 PolarHBondContact OD1-NH2 3.01Å
113	K	90.6	Very high	91.8	Very high	97 Å²	97	41.5 Å²	41.5	42%	0.422	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-57	-33.2	177.4	-172.1	177	171.7	-166.3	0	113.4	P85 D111	P85-K113 WeakPolarHBondContact CD-O 3.31Å; P85-K113 HydrophobicContact CG-CG 4.22Å; D111-K113 PolarHBondContact O-N 2.82Å; D111-K113 VanDerWaalsContact O-N 3.09Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 PolarHBondContact OD1-N 2.89Å
114	Y	93	Very high	91.9	Very high	17 Å²	17	42.8 Å²	42.8	7%	0.067	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-117.1	1.4	-172.5	-50.3	-59.1	0	0	0	113.9	P85 I99 D111 D112 G136 R137 V138	P85-Y114 HydrophobicContact CG-CD1 3.75Å; P85-Y114 HydrophobicContact CG-CE1 3.74Å; I99-Y114 HydrophobicContact CD1-CD1 3.89Å; I99-Y114 HydrophobicContact CD1-CD2 4.26Å; I99-Y114 HydrophobicContact CD1-CE1 3.84Å; I99-Y114 HydrophobicContact CD1-CE2 4.22Å; I99-Y114 HydrophobicContact CD1-CG 4.09Å; I99-Y114 HydrophobicContact CG1-CD2 4.4Å; I99-Y114 HydrophobicContact CG1-CE2 4.49Å; D111-Y114 HydrophobicContact CB-CD2 4.09Å; D111-Y114 PolarHBondContact O-N 3.13Å; D112-Y114 PolarHBondContact O-N 2.92Å; D112-Y114 VanDerWaalsContact O-N 3.08Å; Y114-G136 WeakPolarHBondContact O-CA 3.4Å; Y114-R137 WeakPolarHBondContact CA-O 3.32Å; Y114-R137 PolarHBondContact O-N 3.41Å; Y114-V138 HydrophobicContact CD1-CB 4.1Å; Y114-V138 HydrophobicContact CD1-CG2 3.87Å; Y114-V138 HydrophobicContact CE1-CG2 4.43Å
115	N	94.3	Very high	92.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-135.1	143.1	-169.9	-178.6	-1.1	0	0	0	110.9	L109 D111 D112 F117 Y132 P134 R135 L145	L109-N115 PolarHBondContact O-ND2 2.81Å; D111-N115 WeakPolarHBondContact O-CB 3.3Å; D111-N115 PolarHBondContact O-N 3.3Å; D112-N115 PolarHBondContact O-N 2.74Å; N115-F117 HydrophobicContact CB-CD2 3.83Å; N115-F117 HydrophobicContact CB-CE2 3.59Å; N115-F117 WeakPolarHBondContact O-CD2 3.25Å; N115-F117 PolarHBondContact OD1-N 3.17Å; N115-Y132 PolarHBondContact ND2-OH 2.95Å; N115-P134 WeakPolarHBondContact ND2-CB 3.45Å; N115-P134 VanDerWaalsContact OD1-CA 3.23Å; N115-P134 WeakPolarHBondContact OD1-CA 3.32Å; N115-R135 CarbonylContact C-O 3.47Å; N115-R135 VanDerWaalsContact CA-O 3.24Å; N115-R135 WeakPolarHBondContact CA-O 3.4Å; N115-R135 PolarHBondContact OD1-N 3.04Å; N115-R135 PolarHBondContact OD1-O 3.11Å; N115-R135 VanDerWaalsContact OD1-O 3.07Å; N115-L145 HydrophobicContact CB-CD2 4.01Å
116	W	95.9	Very high	92.7	Very high	26 Å²	26	45.2 Å²	45.2	10%	0.098	24%	0.237	C	C	.	.			trans	-75.9	-24.1	177.6	-72.2	103.6	0	0	0	114.7	A83 Y118 R135 G136 R137 M272 H456	A83-W116 HydrophobicContact CB-CH2 3.85Å; A83-W116 HydrophobicContact CB-CZ2 3.76Å; W116-Y118 HydrophobicContact CB-CD2 3.68Å; W116-Y118 HydrophobicContact CB-CE1 4.2Å; W116-Y118 HydrophobicContact CB-CE2 3.22Å; W116-Y118 HydrophobicContact CB-CG 4.33Å; W116-Y118 HydrophobicContact CD2-CE2 4.27Å; W116-Y118 AromaticContact CD2-CZ 3.9Å; W116-Y118 HydrophobicContact CG-CD2 4.47Å; W116-Y118 AromaticContact CG-CE2 3.57Å; W116-Y118 HydrophobicContact CG-CE2 3.57Å; W116-Y118 AromaticContact CG-CZ 3.67Å; W116-Y118 PolarHBondContact O-N 3.19Å; W116-R135 HydrophobicContact CB-CB 4.3Å; W116-R135 VanDerWaalsContact CD1-O 3.28Å; W116-R135 HydrophobicContact CG-CB 4.42Å; W116-R135 PolarHBondContact N-O 3.15Å; W116-G136 PolarHBondContact NE1-O 3.28Å; W116-R137 HydrophobicContact CD2-CB 4.08Å; W116-R137 HydrophobicContact CD2-CG 4.14Å; W116-R137 HydrophobicContact CG-CB 4.07Å; W116-R137 HydrophobicContact CH2-CG 4.37Å; W116-R137 HydrophobicContact CZ2-CB 4.34Å; W116-R137 HydrophobicContact CZ2-CG 3.75Å; W116-M272 HydrophobicContact CH2-CE 3.55Å; W116-M272 HydrophobicContact CH2-SD 3.77Å; W116-M272 HydrophobicContact CZ3-CE 3.68Å; W116-M272 HydrophobicContact CZ3-SD 4.34Å; W116-H456 PolarHBondContact O-CE1 3.42Å; W116-H456 PolarHBondContact O-NE2 2.71Å
117	F	93.7	Very high	93.3	Very high	54 Å²	54	46.8 Å²	46.8	24%	0.237	24%	0.243	C	C	.	.			trans	55.6	46.1	-178.8	-74.3	-98.8	0	0	0	114.7	L109 D112 N115 H119 Y132	L109-F117 WeakPolarHBondContact O-CZ 3.18Å; D112-F117 HydrophobicContact CB-CD2 4.28Å; D112-F117 HydrophobicContact CB-CE2 3.95Å; D112-F117 VanDerWaalsContact N-CE2 3.34Å; N115-F117 HydrophobicContact CB-CD2 3.83Å; N115-F117 HydrophobicContact CB-CE2 3.59Å; N115-F117 WeakPolarHBondContact O-CD2 3.25Å; N115-F117 PolarHBondContact OD1-N 3.17Å; F117-H119 PolarHBondContact O-CE1 2.83Å; F117-H119 PolarHBondContact O-ND1 3.01Å; F117-Y132 HydrophobicContact CB-CE2 4.29Å; F117-Y132 AromaticContact CD1-CE2 3.44Å; F117-Y132 HydrophobicContact CD1-CE2 3.44Å; F117-Y132 VanDerWaalsContact CD1-CE2 3.44Å; F117-Y132 AromaticContact CD1-CZ 3.91Å; F117-Y132 WeakPolarHBondContact CD1-OH 3.49Å; F117-Y132 AromaticContact CE1-CE2 3.97Å; F117-Y132 HydrophobicContact CE1-CE2 3.97Å; F117-Y132 VanDerWaalsContact CE1-OH 3.29Å; F117-Y132 WeakPolarHBondContact CE1-OH 3.24Å; F117-Y132 HydrophobicContact CG-CE2 4.06Å
118	Y	97.1	Very high	93.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	156.5	173.6	-61.4	-63.3	0	0	0	111.9	W116 W133 R135 I310 N311 H456 L459	W116-Y118 HydrophobicContact CB-CD2 3.68Å; W116-Y118 HydrophobicContact CB-CE1 4.2Å; W116-Y118 HydrophobicContact CB-CE2 3.22Å; W116-Y118 HydrophobicContact CB-CG 4.33Å; W116-Y118 HydrophobicContact CD2-CE2 4.27Å; W116-Y118 AromaticContact CD2-CZ 3.9Å; W116-Y118 HydrophobicContact CG-CD2 4.47Å; W116-Y118 AromaticContact CG-CE2 3.57Å; W116-Y118 HydrophobicContact CG-CE2 3.57Å; W116-Y118 AromaticContact CG-CZ 3.67Å; W116-Y118 PolarHBondContact O-N 3.19Å; Y118-W133 WeakPolarHBondContact CB-O 3.35Å; Y118-W133 PolarHBondContact N-O 2.91Å; Y118-W133 VanDerWaalsContact N-O 3.16Å; Y118-W133 PolarHBondContact O-N 3.46Å; Y118-R135 HydrophobicContact CD2-CB 4.1Å; Y118-R135 HydrophobicContact CD2-CG 3.8Å; Y118-R135 HydrophobicContact CE2-CB 3.99Å; Y118-R135 HydrophobicContact CE2-CG 3.98Å; Y118-I310 HydrophobicContact CD2-CD1 3.67Å; Y118-I310 HydrophobicContact CD2-CG2 4.47Å; Y118-I310 HydrophobicContact CE1-CG2 4.13Å; Y118-I310 HydrophobicContact CE2-CB 4.41Å; Y118-I310 HydrophobicContact CE2-CD1 3.95Å; Y118-I310 HydrophobicContact CE2-CG2 4.02Å; Y118-I310 HydrophobicContact CG-CD1 4.27Å; Y118-N311 VanDerWaalsContact OH-CG 3.29Å; Y118-N311 PolarHBondContact OH-ND2 3.23Å; Y118-N311 VanDerWaalsContact OH-ND2 3.1Å; Y118-N311 PolarHBondContact OH-OD1 3.42Å; Y118-H456 HydrophobicContact CD1-CB 4.08Å; Y118-H456 AromaticContact CD1-CG 3.69Å; Y118-H456 AromaticContact CD1-ND1 3.62Å; Y118-H456 HydrophobicContact CE1-CB 4.26Å; Y118-H456 AromaticContact CE1-CD2 3.78Å; Y118-H456 AromaticContact CE1-CG 3.79Å; Y118-L459 HydrophobicContact CD1-CD1 4.38Å; Y118-L459 HydrophobicContact CG-CD1 4.11Å
119	H	97.3	Very high	94.4	Very high	98 Å²	98	49.9 Å²	49.9	45%	0.454	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.8	174.7	-67.6	77.6	0	0	0	109.2	F117 V130 L131 Y132	F117-H119 PolarHBondContact O-CE1 2.83Å; F117-H119 PolarHBondContact O-ND1 3.01Å; H119-V130 HydrophobicContact CB-CG1 3.86Å; H119-L131 VanDerWaalsContact CA-O 3.29Å; H119-L131 WeakPolarHBondContact CA-O 3.45Å; H119-Y132 AromaticContact CE1-CD2 3.93Å; H119-Y132 AromaticContact NE2-CD2 3.76Å
120	T	98.2	Very high	94.9	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-72.9	169.5	174	67.6	0	0	0	0	111.2	V130 L131 W133 L459 P461	T120-V130 WeakPolarHBondContact O-CG1 3.48Å; T120-L131 HydrophobicContact CG2-CB 3.96Å; T120-L131 PolarHBondContact N-O 3.19Å; T120-L131 PolarHBondContact OG1-N 2.66Å; T120-W133 HydrophobicContact CG2-CD2 4.14Å; T120-W133 HydrophobicContact CG2-CG 4.42Å; T120-W133 HydrophobicContact CG2-CZ2 3.98Å; T120-L459 CarbonylContact C-O 3.46Å; T120-L459 WeakPolarHBondContact CA-O 3.45Å; T120-P461 HydrophobicContact CG2-CG 3.9Å
121	L	98.1	Very high	95.5	Very high	67 Å²	67	49.9 Å²	49.9	35%	0.351	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-63.3	166.4	155.1	-70.9	-175.7	0	0	0	110.7	Q123 W445 I458 L459 Q460	L121-Q123 PolarHBondContact O-N 3.15Å; L121-Q123 PolarHBondContact O-NE2 3.08Å; L121-W445 HydrophobicContact CD1-CH2 4.39Å; L121-I458 HydrophobicContact CD1-CG2 3.54Å; L121-I458 HydrophobicContact CD2-CG2 3.92Å; L121-I458 HydrophobicContact CG-CG2 3.68Å; L121-L459 PolarHBondContact N-O 3.38Å; L121-Q460 HydrophobicContact CD1-CB 4.29Å
122	P	98.4	Very high	95.9	Very high	69 Å²	69	49 Å²	49	45%	0.448	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-55.2	124.8	165.9	-25.4	35.8	0	0	0	111	A124 N128 V130	P122-A124 PolarHBondContact O-N 2.85Å; P122-N128 HydrophobicContact CB-CB 4.21Å; P122-V130 HydrophobicContact CB-CG2 4.48Å; P122-V130 HydrophobicContact CG-CG2 4.02Å
123	Q	98.2	Very high	96.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-87.6	106.8	-177.7	-62.1	-53.7	-69.4	0	0	110.2	L121 H125 M126 N128 R129 L131 Y463	L121-Q123 PolarHBondContact O-N 3.15Å; L121-Q123 PolarHBondContact O-NE2 3.08Å; Q123-H125 PolarHBondContact O-N 3.4Å; Q123-M126 HydrophobicContact CB-CB 3.87Å; Q123-M126 HydrophobicContact CB-CG 4.06Å; Q123-M126 HydrophobicContact CB-SD 4.27Å; Q123-M126 HydrophobicContact CG-SD 4.48Å; Q123-M126 CarbonylContact O-C 3.58Å; Q123-M126 PolarHBondContact O-N 3.06Å; Q123-N128 VanDerWaalsContact O-CA 3.26Å; Q123-N128 WeakPolarHBondContact O-CA 3.47Å; Q123-N128 PolarHBondContact O-N 3.13Å; Q123-R129 PolarHBondContact N-O 3.22Å; Q123-L131 HydrophobicContact CG-CD1 4.05Å; Q123-Y463 HydrophobicContact CG-CD2 4.18Å
124	A	97.6	Very high	96.5	Very high	65 Å²	65	39.8 Å²	39.8	54%	0.537	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.7	-173.3	0	0	0	0	0	113.1	P122 M126	P122-A124 PolarHBondContact O-N 2.85Å; A124-M126 VanDerWaalsContact C-N 3.32Å
125	H	97.8	Very high	96.6	Very high	91 Å²	91	41.4 Å²	41.4	42%	0.421	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.3	-179.9	-53.2	-83.8	0	0	0	113.5	Q123 Y463 L464 R514	Q123-H125 PolarHBondContact O-N 3.4Å; H125-Y463 WeakPolarHBondContact CB-O 3.41Å; H125-L464 HydrophobicContact CB-CB 4.17Å; H125-L464 VanDerWaalsContact CB-O 3.29Å; H125-L464 WeakPolarHBondContact CB-O 3.18Å; H125-R514 WeakPolarHBondContact O-CD 3.44Å; H125-R514 WeakPolarHBondContact O-CG 3.5Å
126	M	97.6	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	45.5	178.1	-54	-173.8	77.5	0	0	111.3	Q123 A124 N128 R129 L131 L349 Y463 L464 A517	Q123-M126 HydrophobicContact CB-CB 3.87Å; Q123-M126 HydrophobicContact CB-CG 4.06Å; Q123-M126 HydrophobicContact CB-SD 4.27Å; Q123-M126 HydrophobicContact CG-SD 4.48Å; Q123-M126 CarbonylContact O-C 3.58Å; Q123-M126 PolarHBondContact O-N 3.06Å; A124-M126 VanDerWaalsContact C-N 3.32Å; M126-N128 PolarHBondContact O-N 3.47Å; M126-R129 WeakPolarHBondContact O-CB 3.31Å; M126-R129 VanDerWaalsContact O-CG 3.24Å; M126-R129 WeakPolarHBondContact O-CG 3.28Å; M126-R129 PolarHBondContact O-N 3.32Å; M126-R129 VanDerWaalsContact O-N 3.07Å; M126-L131 HydrophobicContact CE-CD2 4.34Å; M126-L131 HydrophobicContact SD-CD1 4.4Å; M126-L131 HydrophobicContact SD-CD2 4.13Å; M126-L349 HydrophobicContact CE-CD1 4.2Å; M126-L349 HydrophobicContact CE-CD2 3.91Å; M126-L349 HydrophobicContact SD-CD2 4.38Å; M126-Y463 WeakPolarHBondContact SD-CB 3.45Å; M126-Y463 HydrophobicContact SD-CD2 3.81Å; M126-Y463 HydrophobicContact SD-CG 4Å; M126-L464 HydrophobicContact CE-CD1 4.36Å; M126-L464 HydrophobicContact CG-CD1 4.04Å; M126-L464 HydrophobicContact CG-CG 4.37Å; M126-A517 HydrophobicContact CE-CB 3.91Å; M126-A517 VanDerWaalsContact CE-O 3.25Å; M126-A517 WeakPolarHBondContact CE-O 3.36Å
127	D	97.6	Very high	96.8	Very high	75 Å²	75	43.4 Å²	43.4	40%	0.401	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	35.9	179.2	-56.3	-23.9	0	0	0	113.4	R129 R514 R515	D127-R129 PolarHBondContact O-N 3.21Å; D127-R514 IonicContact OD1-NH1 3.43Å; D127-R514 PolarHBondContact OD1-NH1 3.13Å; D127-R515 WeakPolarHBondContact OD2-CG 3.1Å
128	N	97.9	Very high	97	Very high	109 Å²	109	40.8 Å²	40.8	58%	0.583	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	24.7	-178.4	-61.7	-58.5	0	0	0	114.5	P122 Q123 M126	P122-N128 HydrophobicContact CB-CB 4.21Å; Q123-N128 VanDerWaalsContact O-CA 3.26Å; Q123-N128 WeakPolarHBondContact O-CA 3.47Å; Q123-N128 PolarHBondContact O-N 3.13Å; M126-N128 PolarHBondContact O-N 3.47Å
129	R	97.4	Very high	97.1	Very high	56 Å²	56	41.1 Å²	41.1	21%	0.211	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-62	142.5	174.1	-73.9	172.3	54.9	-153.5	-3.3	111	Q123 M126 D127 L131 R514 R515 A517 D518	Q123-R129 PolarHBondContact N-O 3.22Å; M126-R129 WeakPolarHBondContact O-CB 3.31Å; M126-R129 VanDerWaalsContact O-CG 3.24Å; M126-R129 WeakPolarHBondContact O-CG 3.28Å; M126-R129 PolarHBondContact O-N 3.32Å; M126-R129 VanDerWaalsContact O-N 3.07Å; D127-R129 PolarHBondContact O-N 3.21Å; R129-L131 HydrophobicContact CB-CD1 3.7Å; R129-R514 PolarHBondContact NH1-O 3.25Å; R129-R515 PolarHBondContact NH1-O 2.87Å; R129-R515 VanDerWaalsContact NH1-O 3.14Å; R129-A517 VanDerWaalsContact CZ-O 3.27Å; R129-A517 PolarHBondContact NH1-O 3.2Å; R129-A517 PolarHBondContact NH2-O 3.32Å; R129-D518 IonicContact NH2-OD2 3.35Å; R129-D518 PolarHBondContact NH2-OD2 3.29Å
130	V	97.3	Very high	97.2	Very high	80 Å²	80	36.4 Å²	36.4	49%	0.485	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-98.5	116.4	167	171.2	0	0	0	0	107.1	H119 T120 P122	H119-V130 HydrophobicContact CB-CG1 3.86Å; T120-V130 WeakPolarHBondContact O-CG1 3.48Å; P122-V130 HydrophobicContact CB-CG2 4.48Å; P122-V130 HydrophobicContact CG-CG2 4.02Å
131	L	95.8	Very high	97.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-91.5	145	-175.6	-82.8	65.2	0	0	0	110.2	H119 T120 Q123 M126 R129 L349 Y463	H119-L131 VanDerWaalsContact CA-O 3.29Å; H119-L131 WeakPolarHBondContact CA-O 3.45Å; T120-L131 HydrophobicContact CG2-CB 3.96Å; T120-L131 PolarHBondContact N-O 3.19Å; T120-L131 PolarHBondContact OG1-N 2.66Å; Q123-L131 HydrophobicContact CG-CD1 4.05Å; M126-L131 HydrophobicContact CE-CD2 4.34Å; M126-L131 HydrophobicContact SD-CD1 4.4Å; M126-L131 HydrophobicContact SD-CD2 4.13Å; R129-L131 HydrophobicContact CB-CD1 3.7Å; L131-L349 HydrophobicContact CD2-CD1 4.2Å; L131-Y463 HydrophobicContact CD2-CD2 3.79Å; L131-Y463 HydrophobicContact CD2-CE2 3.53Å
132	Y	93.9	Very high	97.2	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.5	179.8	168.8	-110.2	0	0	0	110.8	L109 N115 F117 H119 P134	L109-Y132 PolarHBondContact O-OH 2.89Å; N115-Y132 PolarHBondContact ND2-OH 2.95Å; F117-Y132 HydrophobicContact CB-CE2 4.29Å; F117-Y132 AromaticContact CD1-CE2 3.44Å; F117-Y132 HydrophobicContact CD1-CE2 3.44Å; F117-Y132 VanDerWaalsContact CD1-CE2 3.44Å; F117-Y132 AromaticContact CD1-CZ 3.91Å; F117-Y132 WeakPolarHBondContact CD1-OH 3.49Å; F117-Y132 AromaticContact CE1-CE2 3.97Å; F117-Y132 HydrophobicContact CE1-CE2 3.97Å; F117-Y132 VanDerWaalsContact CE1-OH 3.29Å; F117-Y132 WeakPolarHBondContact CE1-OH 3.24Å; F117-Y132 HydrophobicContact CG-CE2 4.06Å; H119-Y132 AromaticContact CE1-CD2 3.93Å; H119-Y132 AromaticContact NE2-CD2 3.76Å; Y132-P134 HydrophobicContact CD1-CB 4.47Å; Y132-P134 HydrophobicContact CD1-CG 4.11Å; Y132-P134 HydrophobicContact CE1-CB 3.54Å; Y132-P134 VanDerWaalsContact CE1-CD 3.48Å; Y132-P134 HydrophobicContact CE1-CG 3.56Å; Y132-P134 WeakPolarHBondContact O-CD 3.18Å
133	W	94.8	Very high	97.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	90.7	-179.2	-80.3	13	0	0	0	111.4	Y118 T120 I310 L345 L459 P461 Y463 P523	Y118-W133 WeakPolarHBondContact CB-O 3.35Å; Y118-W133 PolarHBondContact N-O 2.91Å; Y118-W133 VanDerWaalsContact N-O 3.16Å; Y118-W133 PolarHBondContact O-N 3.46Å; T120-W133 HydrophobicContact CG2-CD2 4.14Å; T120-W133 HydrophobicContact CG2-CG 4.42Å; T120-W133 HydrophobicContact CG2-CZ2 3.98Å; W133-I310 HydrophobicContact CE3-CD1 3.85Å; W133-I310 HydrophobicContact CZ3-CD1 4.17Å; W133-L345 HydrophobicContact CH2-CD1 4.22Å; W133-L345 HydrophobicContact CH2-CD2 3.83Å; W133-L345 HydrophobicContact CH2-CG 4.27Å; W133-L345 HydrophobicContact CZ3-CD1 4.37Å; W133-L345 HydrophobicContact CZ3-CD2 4.17Å; W133-L459 HydrophobicContact CE3-CD1 3.76Å; W133-L459 HydrophobicContact CZ3-CB 4.39Å; W133-L459 HydrophobicContact CZ3-CD1 4.14Å; W133-L459 HydrophobicContact CZ3-CD2 4.18Å; W133-L459 HydrophobicContact CZ3-CG 4.48Å; W133-P461 HydrophobicContact CH2-CB 4.01Å; W133-P461 HydrophobicContact CH2-CG 4.24Å; W133-P461 HydrophobicContact CZ2-CB 3.76Å; W133-P461 HydrophobicContact CZ2-CG 3.73Å; W133-Y463 VanDerWaalsContact CE2-OH 3.28Å; W133-Y463 HydrophobicContact CZ2-CE2 4.22Å; W133-Y463 AromaticContact CZ2-CZ 3.82Å; W133-Y463 WeakPolarHBondContact CZ2-OH 3.4Å; W133-Y463 PolarHBondContact NE1-OH 3.06Å; W133-P523 HydrophobicContact CH2-CB 4.25Å; W133-P523 HydrophobicContact CZ3-CB 3.97Å; W133-P523 HydrophobicContact CZ3-CG 4.49Å
134	P	94	Very high	97.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.167	C	C	.	.			trans	-72.8	127.7	174.8	28.5	-28.8	0	0	0	110.4	L109 N115 Y132 Y521	L109-P134 HydrophobicContact CD2-CB 3.83Å; L109-P134 HydrophobicContact CD2-CG 4.02Å; N115-P134 WeakPolarHBondContact ND2-CB 3.45Å; N115-P134 VanDerWaalsContact OD1-CA 3.23Å; N115-P134 WeakPolarHBondContact OD1-CA 3.32Å; Y132-P134 HydrophobicContact CD1-CB 4.47Å; Y132-P134 HydrophobicContact CD1-CG 4.11Å; Y132-P134 HydrophobicContact CE1-CB 3.54Å; Y132-P134 VanDerWaalsContact CE1-CD 3.48Å; Y132-P134 HydrophobicContact CE1-CG 3.56Å; Y132-P134 WeakPolarHBondContact O-CD 3.18Å; P134-Y521 VanDerWaalsContact CD-CD1 3.41Å; P134-Y521 HydrophobicContact CG-CD1 3.84Å; P134-Y521 HydrophobicContact CG-CD2 3.83Å; P134-Y521 HydrophobicContact CG-CE1 3.59Å; P134-Y521 HydrophobicContact CG-CE2 3.56Å; P134-Y521 HydrophobicContact CG-CG 3.92Å
135	R	96.4	Very high	97	Very high	52 Å²	52	28.2 Å²	28.2	20%	0.196	14%	0.142	C	C	.	.			trans	-132.8	141	174.5	-67	-68.6	75.2	-173.7	-4.8	110.3	N115 W116 Y118 R137 I310 Y521	N115-R135 CarbonylContact C-O 3.47Å; N115-R135 VanDerWaalsContact CA-O 3.24Å; N115-R135 WeakPolarHBondContact CA-O 3.4Å; N115-R135 PolarHBondContact OD1-N 3.04Å; N115-R135 PolarHBondContact OD1-O 3.11Å; N115-R135 VanDerWaalsContact OD1-O 3.07Å; W116-R135 HydrophobicContact CB-CB 4.3Å; W116-R135 VanDerWaalsContact CD1-O 3.28Å; W116-R135 HydrophobicContact CG-CB 4.42Å; W116-R135 PolarHBondContact N-O 3.15Å; Y118-R135 HydrophobicContact CD2-CB 4.1Å; Y118-R135 HydrophobicContact CD2-CG 3.8Å; Y118-R135 HydrophobicContact CE2-CB 3.99Å; Y118-R135 HydrophobicContact CE2-CG 3.98Å; R135-R137 PolarHBondContact O-N 3.27Å; R135-I310 HydrophobicContact CG-CD1 4.08Å; R135-Y521 PolarHBondContact NH1-O 3.15Å; R135-Y521 PolarHBondContact NH2-O 3.34Å; R135-Y521 VanDerWaalsContact NH2-O 3.11Å
136	G	97.2	Very high	97	Very high	10 Å²	10	25.6 Å²	25.6	10%	0.103	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-67.1	127.4	-178.3	0	0	0	0	0	112.9	Y114 W116 S142	Y114-G136 WeakPolarHBondContact O-CA 3.4Å; W116-G136 PolarHBondContact NE1-O 3.28Å; G136-S142 PolarHBondContact N-OG 2.85Å
137	R	97.6	Very high	96.8	Very high	57 Å²	57	27 Å²	27	22%	0.215	14%	0.143	C	C	.	.			trans	-120	73.3	170.2	-172.4	176.6	65.6	-173.7	-5.9	107.6	A83 G84 P85 D112 Y114 W116 R135	A83-R137 HydrophobicContact CB-CG 4.31Å; G84-R137 WeakPolarHBondContact CA-O 3.23Å; P85-R137 WeakPolarHBondContact CD-O 3.29Å; D112-R137 PolarHBondContact O-NH2 3.47Å; D112-R137 IonicContact OD1-NH2 3.93Å; D112-R137 PolarHBondContact OD1-NH2 3.01Å; Y114-R137 WeakPolarHBondContact CA-O 3.32Å; Y114-R137 PolarHBondContact O-N 3.41Å; W116-R137 HydrophobicContact CD2-CB 4.08Å; W116-R137 HydrophobicContact CD2-CG 4.14Å; W116-R137 HydrophobicContact CG-CB 4.07Å; W116-R137 HydrophobicContact CH2-CG 4.37Å; W116-R137 HydrophobicContact CZ2-CB 4.34Å; W116-R137 HydrophobicContact CZ2-CG 3.75Å; R135-R137 PolarHBondContact O-N 3.27Å
138	V	98.1	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-170.6	160.8	-173.4	62.2	0	0	0	0	108.5	E82 P85 D87 I99 Y114 G140 G141 L145	E82-V138 PolarHBondContact OE1-N 3.14Å; P85-V138 HydrophobicContact CG-CG2 4.33Å; P85-V138 CarbonylContact O-C 3.44Å; P85-V138 WeakPolarHBondContact O-CA 3.24Å; P85-V138 WeakPolarHBondContact O-CG2 3.44Å; D87-V138 HydrophobicContact CB-CG2 4.1Å; I99-V138 HydrophobicContact CD1-CG2 4.06Å; Y114-V138 HydrophobicContact CD1-CB 4.1Å; Y114-V138 HydrophobicContact CD1-CG2 3.87Å; Y114-V138 HydrophobicContact CE1-CG2 4.43Å; V138-G140 PolarHBondContact O-N 3.02Å; V138-G141 VanDerWaalsContact O-CA 3.29Å; V138-G141 WeakPolarHBondContact O-CA 3.33Å; V138-G141 PolarHBondContact O-N 2.94Å; V138-L145 HydrophobicContact CG1-CD1 3.68Å
139	W	98.6	Very high	96.8	Very high	8 Å²	8	18.6 Å²	18.6	3%	0.03	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	130.3	166.7	-77.8	-0.3	0	0	0	112.3	P85 K86 D87 G141 S144 A252 L256 L260 V269	P85-W139 PolarHBondContact O-N 2.83Å; K86-W139 HydrophobicContact CB-CD2 4.04Å; K86-W139 HydrophobicContact CB-CE3 3.83Å; K86-W139 HydrophobicContact CB-CZ3 4.17Å; K86-W139 HydrophobicContact CD-CE3 4.25Å; K86-W139 HydrophobicContact CD-CH2 3.61Å; K86-W139 HydrophobicContact CD-CZ2 4.05Å; K86-W139 HydrophobicContact CD-CZ3 3.71Å; K86-W139 VanDerWaalsContact CE-CH2 3.46Å; K86-W139 HydrophobicContact CG-CD2 3.87Å; K86-W139 HydrophobicContact CG-CE3 3.81Å; K86-W139 HydrophobicContact CG-CH2 3.79Å; K86-W139 HydrophobicContact CG-CZ2 3.8Å; K86-W139 HydrophobicContact CG-CZ3 3.78Å; D87-W139 HydrophobicContact CB-CB 4.18Å; W139-G141 VanDerWaalsContact C-N 3.28Å; W139-S144 PolarHBondContact O-OG 2.91Å; W139-A252 HydrophobicContact CB-CB 4.1Å; W139-L256 HydrophobicContact CB-CD2 4.34Å; W139-L256 HydrophobicContact CD2-CD2 3.68Å; W139-L256 HydrophobicContact CE3-CD2 3.95Å; W139-L256 HydrophobicContact CG-CD2 3.89Å; W139-L256 HydrophobicContact CZ3-CD2 4.45Å; W139-L260 HydrophobicContact CH2-CD1 4.23Å; W139-L260 HydrophobicContact CH2-CD2 4.01Å; W139-L260 HydrophobicContact CZ3-CD1 3.94Å; W139-L260 HydrophobicContact CZ3-CD2 4.4Å; W139-V269 HydrophobicContact CD2-CG1 4.49Å; W139-V269 HydrophobicContact CZ2-CG1 3.92Å
140	G	98.4	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-10.9	-171.2	0	0	0	0	0	113.4	A59 S61 V138 S142 S143	A59-G140 CarbonylContact O-C 3.56Å; A59-G140 VanDerWaalsContact O-CA 3.29Å; A59-G140 WeakPolarHBondContact O-CA 3.34Å; A59-G140 PolarHBondContact O-N 3.04Å; S61-G140 PolarHBondContact N-O 3.14Å; V138-G140 PolarHBondContact O-N 3.02Å; G140-S142 PolarHBondContact O-N 2.93Å; G140-S143 WeakPolarHBondContact O-CB 3.42Å; G140-S143 PolarHBondContact O-N 3.15Å; G140-S143 VanDerWaalsContact O-N 3.13Å; G140-S143 PolarHBondContact O-OG 3.46Å
141	G	98.2	Very high	96.8	Very high	3 Å²	3	12.4 Å²	12.4	3%	0.031	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	51.1	-133.5	-177	0	0	0	0	0	111.6	A59 V138 W139 S143 S144	A59-G141 PolarHBondContact O-N 2.68Å; V138-G141 VanDerWaalsContact O-CA 3.29Å; V138-G141 WeakPolarHBondContact O-CA 3.33Å; V138-G141 PolarHBondContact O-N 2.94Å; W139-G141 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 2.88Å; G141-S144 WeakPolarHBondContact O-CB 3.31Å; G141-S144 PolarHBondContact O-N 2.87Å
142	S	98.2	Very high	96.9	Very high	32 Å²	32	12.4 Å²	12.4	22%	0.224	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.3	-179.6	-60.2	0	0	0	0	114	G136 G140 S144 L145 N146	G136-S142 PolarHBondContact N-OG 2.85Å; G140-S142 PolarHBondContact O-N 2.93Å; S142-S144 PolarHBondContact O-N 3.22Å; S142-L145 PolarHBondContact O-N 3.48Å; S142-N146 WeakPolarHBondContact O-CB 3.42Å; S142-N146 PolarHBondContact O-N 2.86Å
143	S	98.3	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-65.8	-20.7	173	72.8	0	0	0	0	113.4	S61 G140 G141 L145 N146 R248 S250 S251 N568	S61-S143 WeakPolarHBondContact OG-CB 3.49Å; G140-S143 WeakPolarHBondContact O-CB 3.42Å; G140-S143 PolarHBondContact O-N 3.15Å; G140-S143 VanDerWaalsContact O-N 3.13Å; G140-S143 PolarHBondContact O-OG 3.46Å; G141-S143 PolarHBondContact O-N 2.88Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-N146 PolarHBondContact O-OD1 3.46Å; S143-R248 PolarHBondContact O-NH1 3.02Å; S143-S250 WeakPolarHBondContact O-CB 3.42Å; S143-S250 WeakPolarHBondContact OG-CB 3.48Å; S143-S251 PolarHBondContact OG-N 3.01Å; S143-N568 WeakPolarHBondContact CB-OD1 3.41Å
144	S	97.8	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-83.8	-9.5	174.1	-67.6	0	0	0	0	113.2	W139 G141 S142 R248 S250	W139-S144 PolarHBondContact O-OG 2.91Å; G141-S144 WeakPolarHBondContact O-CB 3.31Å; G141-S144 PolarHBondContact O-N 2.87Å; S142-S144 PolarHBondContact O-N 3.22Å; S144-R248 WeakPolarHBondContact O-CD 3.45Å; S144-R248 PolarHBondContact O-NE 2.55Å; S144-S250 WeakPolarHBondContact OG-CB 3.27Å
145	L	95.4	Very high	97.4	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.026	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-24.5	179.8	-81	67.5	0	0	0	113.3	L105 N108 L109 N115 V138 S142 S143	L105-L145 WeakPolarHBondContact CD1-O 3.4Å; N108-L145 HydrophobicContact CB-CG 4.34Å; N108-L145 WeakPolarHBondContact OD1-CG 3.4Å; N108-L145 PolarHBondContact OD1-O 3.33Å; L109-L145 HydrophobicContact CD2-CB 4.22Å; L109-L145 HydrophobicContact CD2-CD2 4.33Å; N115-L145 HydrophobicContact CB-CD2 4.01Å; V138-L145 HydrophobicContact CG1-CD1 3.68Å; S142-L145 PolarHBondContact O-N 3.48Å; S143-L145 VanDerWaalsContact C-N 3.34Å
146	N	95.8	Very high	97.5	Very high	35 Å²	35	13.3 Å²	13.3	19%	0.187	8%	0.076	C	C	.	.	S	Bend	trans	-59.8	172.8	-169	71.8	7.9	0	0	0	115.2	L105 S142 S143 M148 R248	L105-N146 VanDerWaalsContact CD1-O 3.26Å; L105-N146 WeakPolarHBondContact CD1-O 3.2Å; S142-N146 WeakPolarHBondContact O-CB 3.42Å; S142-N146 PolarHBondContact O-N 2.86Å; S143-N146 PolarHBondContact O-OD1 3.46Å; N146-M148 PolarHBondContact O-N 2.93Å; N146-M148 VanDerWaalsContact O-N 3.16Å; N146-M148 WeakPolarHBondContact OD1-CA 3.23Å; N146-M148 PolarHBondContact OD1-N 3.47Å; N146-R248 PolarHBondContact O-NH1 2.86Å; N146-R248 PolarHBondContact O-NH2 3.42Å; N146-R248 PolarHBondContact OD1-NH1 3.24Å
147	A	94.9	Very high	97.5	Very high	30 Å²	30	12.9 Å²	12.9	25%	0.248	7%	0.071	C	C	.	.			trans	-75.4	6.1	175.1	0	0	0	0	0	114.7	L105 V149 L392	L105-A147 HydrophobicContact CD2-CB 3.86Å; A147-V149 PolarHBondContact O-N 3.3Å; A147-L392 HydrophobicContact CB-CD1 3.74Å
148	M	97.4	Very high	97.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.061	C	C	.	.			trans	62.6	-3.7	-179.5	-58.7	154.1	-74.4	0	0	116.6	P102 N146 Y150 M241 T242 I243 R248 A390	P102-M148 HydrophobicContact CB-CE 3.71Å; P102-M148 HydrophobicContact CB-SD 3.7Å; P102-M148 HydrophobicContact CG-SD 3.97Å; P102-M148 WeakPolarHBondContact O-CE 3.42Å; N146-M148 PolarHBondContact O-N 2.93Å; N146-M148 VanDerWaalsContact O-N 3.16Å; N146-M148 WeakPolarHBondContact OD1-CA 3.23Å; N146-M148 PolarHBondContact OD1-N 3.47Å; M148-Y150 PolarHBondContact O-N 3.48Å; M148-M241 CarbonylContact O-C 3.53Å; M148-M241 WeakPolarHBondContact O-CA 3.29Å; M148-T242 PolarHBondContact O-N 2.99Å; M148-T242 PolarHBondContact O-OG1 2.94Å; M148-I243 HydrophobicContact CB-CG1 4.18Å; M148-I243 HydrophobicContact CG-CG1 4.37Å; M148-I243 HydrophobicContact SD-CD1 3.93Å; M148-I243 HydrophobicContact SD-CG1 3.69Å; M148-R248 HydrophobicContact CG-CG 4.08Å; M148-R248 HydrophobicContact SD-CB 3.87Å; M148-R248 HydrophobicContact SD-CG 4.07Å; M148-A390 HydrophobicContact CE-CB 3.49Å; M148-A390 VanDerWaalsContact CE-CB 3.49Å
149	V	96.8	Very high	97.6	Very high	7 Å²	7	12.4 Å²	12.4	4%	0.042	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	127.9	172.2	176.6	0	0	0	0	110.2	A147 I151 M239 L392 N566	A147-V149 PolarHBondContact O-N 3.3Å; V149-I151 HydrophobicContact CG1-CG1 3.78Å; V149-M239 HydrophobicContact CG1-SD 4.17Å; V149-L392 HydrophobicContact CG2-CB 4.04Å; V149-L392 HydrophobicContact CG2-CD1 3.8Å; V149-N566 WeakPolarHBondContact CG1-OD1 3.29Å
150	Y	98	Very high	97.6	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.016	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.7	178.9	-177.7	-91.4	0	0	0	109.3	M148 R152 L198 V200 N229 D240 T242 A569	M148-Y150 PolarHBondContact O-N 3.48Å; Y150-R152 HydrophobicContact CE1-CG 3.9Å; Y150-R152 PolarHBondContact OH-NE 2.98Å; Y150-L198 HydrophobicContact CD2-CD2 4.15Å; Y150-L198 HydrophobicContact CE2-CD2 3.75Å; Y150-V200 HydrophobicContact CD1-CG1 3.83Å; Y150-V200 HydrophobicContact CD1-CG2 4.24Å; Y150-V200 HydrophobicContact CD2-CG2 3.74Å; Y150-V200 HydrophobicContact CE1-CG1 4.45Å; Y150-V200 HydrophobicContact CE1-CG2 4.39Å; Y150-V200 HydrophobicContact CE2-CG2 3.88Å; Y150-V200 HydrophobicContact CG-CG1 3.9Å; Y150-V200 HydrophobicContact CG-CG2 3.93Å; Y150-N229 PolarHBondContact O-ND2 3.42Å; Y150-D240 HydrophobicContact CD1-CB 4.09Å; Y150-D240 PolarHBondContact N-O 3.15Å; Y150-T242 HydrophobicContact CD2-CG2 3.86Å; Y150-T242 HydrophobicContact CG-CG2 4.48Å; Y150-A569 HydrophobicContact CD2-CB 3.74Å; Y150-A569 HydrophobicContact CE2-CB 3.35Å
151	I	97.9	Very high	97.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.081	C	C	.	.			trans	-124.9	139.2	173.6	-66.2	-62.8	0	0	0	109	V149 M228 N229 F397 N566 A569	V149-I151 HydrophobicContact CG1-CG1 3.78Å; I151-M228 HydrophobicContact CD1-CB 4.06Å; I151-M228 HydrophobicContact CD1-SD 4.34Å; I151-N229 VanDerWaalsContact CA-OD1 3.27Å; I151-N229 WeakPolarHBondContact CA-OD1 3.46Å; I151-F397 HydrophobicContact CD1-CE2 3.79Å; I151-F397 HydrophobicContact CD1-CZ 4.12Å; I151-F397 HydrophobicContact CG1-CE2 4.34Å; I151-F397 HydrophobicContact CG1-CZ 4.19Å; I151-F397 HydrophobicContact CG2-CE2 4.42Å; I151-F397 HydrophobicContact CG2-CZ 3.82Å; I151-N566 HydrophobicContact CB-CB 4.38Å; I151-A569 WeakPolarHBondContact O-CB 3.49Å
152	R	97.8	Very high	97.6	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.094	C	C	.	.			trans	-96.4	-14.8	-179	-64.1	178.3	-176.6	169.5	-16.3	114.5	Y150 Y158 F178 Y191 N229	Y150-R152 HydrophobicContact CE1-CG 3.9Å; Y150-R152 PolarHBondContact OH-NE 2.98Å; R152-Y158 WeakPolarHBondContact O-CE2 3.17Å; R152-Y158 PolarHBondContact O-OH 2.89Å; R152-F178 HydrophobicContact CB-CD1 4.22Å; R152-F178 HydrophobicContact CB-CE1 3.9Å; R152-F178 HydrophobicContact CB-CE2 4.28Å; R152-F178 HydrophobicContact CB-CZ 3.94Å; R152-F178 HydrophobicContact CG-CD1 3.67Å; R152-F178 HydrophobicContact CG-CE1 3.76Å; R152-F178 HydrophobicContact CG-CG 4.12Å; R152-F178 HydrophobicContact CG-CZ 4.29Å; R152-Y191 PolarHBondContact NH1-O 3.21Å; R152-Y191 PolarHBondContact NH2-O 2.73Å; R152-N229 HydrophobicContact CG-CB 4.16Å; R152-N229 WeakPolarHBondContact CG-OD1 3.01Å; R152-N229 PolarHBondContact N-OD1 2.96Å; R152-N229 PolarHBondContact NH1-O 2.79Å
153	G	97.2	Very high	97.5	Very high	7 Å²	7	23.5 Å²	23.5	7%	0.072	11%	0.112	C	C	.	.			trans	92.7	167.2	-165	0	0	0	0	0	112.5	S564	G153-S564 VanDerWaalsContact CA-O 3.26Å; G153-S564 WeakPolarHBondContact CA-O 3.36Å
154	H	98.2	Very high	97.5	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.097	13%	0.127	C	C	.	.			trans	-82.9	150.3	171.7	-165.2	-103.3	0	0	0	110	E156 D157 Y158 Q233 H406	H154-E156 VanDerWaalsContact ND1-CB 3.26Å; H154-E156 WeakPolarHBondContact ND1-CB 3.45Å; H154-E156 PolarHBondContact ND1-N 3.4Å; H154-E156 PolarHBondContact O-N 2.92Å; H154-D157 WeakPolarHBondContact CA-OD2 3.45Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 PolarHBondContact N-OD2 3.18Å; H154-D157 WeakPolarHBondContact O-CB 3.44Å; H154-D157 PolarHBondContact O-N 3.34Å; H154-D157 VanDerWaalsContact O-N 3.08Å; H154-Y158 VanDerWaalsContact O-CD2 3.29Å; H154-Y158 WeakPolarHBondContact O-CD2 3.36Å; H154-Q233 VanDerWaalsContact CA-OE1 3.3Å; H154-Q233 PolarHBondContact CD2-OE1 3.5Å; H154-H406 WeakPolarHBondContact CE1-CB 3.41Å; H154-H406 AromaticContact CE1-CG 3.92Å; H154-H406 AromaticContact CG-CD2 3.59Å; H154-H406 AromaticContact CG-CG 3.99Å; H154-H406 WeakPolarHBondContact ND1-CB 2.97Å; H154-H406 AromaticContact ND1-CD2 3.45Å; H154-H406 PolarHBondContact ND1-CD2 2.98Å; H154-H406 AromaticContact ND1-CG 3.5Å
155	A	98.1	Very high	97.4	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-55.7	-36.6	175.3	0	0	0	0	0	112.6	D157 Y158 N159 Y171 V595	A155-D157 VanDerWaalsContact C-N 3.25Å; A155-D157 PolarHBondContact O-N 2.85Å; A155-Y158 PolarHBondContact O-N 2.94Å; A155-N159 PolarHBondContact O-N 2.83Å; A155-N159 VanDerWaalsContact O-N 3.1Å; A155-Y171 HydrophobicContact CB-CD1 3.46Å; A155-Y171 VanDerWaalsContact CB-CD1 3.46Å; A155-Y171 HydrophobicContact CB-CD2 3.78Å; A155-Y171 HydrophobicContact CB-CE1 3.81Å; A155-Y171 HydrophobicContact CB-CE2 4.11Å; A155-Y171 HydrophobicContact CB-CG 3.42Å; A155-Y171 VanDerWaalsContact CB-CG 3.42Å; A155-V595 HydrophobicContact CB-CB 4.34Å; A155-V595 HydrophobicContact CB-CG1 3.9Å; A155-V595 HydrophobicContact CB-CG2 3.49Å; A155-V595 VanDerWaalsContact CB-CG2 3.49Å
156	E	97.6	Very high	97.5	Very high	51 Å²	51	27.5 Å²	27.5	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-22	-179	-167.3	51.4	-147.8	0	0	113.8	H154 Y158 N159 R160 R163	H154-E156 VanDerWaalsContact ND1-CB 3.26Å; H154-E156 WeakPolarHBondContact ND1-CB 3.45Å; H154-E156 PolarHBondContact ND1-N 3.4Å; H154-E156 PolarHBondContact O-N 2.92Å; E156-Y158 VanDerWaalsContact C-N 3.3Å; E156-Y158 PolarHBondContact O-N 3.4Å; E156-N159 PolarHBondContact OE2-ND2 3.19Å; E156-R160 VanDerWaalsContact O-CB 3.31Å; E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 PolarHBondContact O-N 2.71Å; E156-R163 IonicContact OE1-CZ 2.72Å; E156-R163 IonicContact OE1-NH1 2.69Å; E156-R163 PolarHBondContact OE1-NH1 3.09Å; E156-R163 IonicContact OE1-NH2 3.11Å; E156-R163 PolarHBondContact OE1-NH2 3.48Å
157	D	98.2	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-39.5	173.3	-59.1	-55.7	0	0	0	111.2	H154 A155 R160 W161 H406 V563 S564	H154-D157 WeakPolarHBondContact CA-OD2 3.45Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 PolarHBondContact N-OD2 3.18Å; H154-D157 WeakPolarHBondContact O-CB 3.44Å; H154-D157 PolarHBondContact O-N 3.34Å; H154-D157 VanDerWaalsContact O-N 3.08Å; A155-D157 VanDerWaalsContact C-N 3.25Å; A155-D157 PolarHBondContact O-N 2.85Å; D157-R160 WeakPolarHBondContact O-CB 3.49Å; D157-R160 PolarHBondContact O-N 3.22Å; D157-R160 IonicContact OD1-NH2 2.83Å; D157-R160 PolarHBondContact OD1-NH2 2.87Å; D157-W161 VanDerWaalsContact O-CD1 3.31Å; D157-W161 PolarHBondContact O-N 3.28Å; D157-W161 VanDerWaalsContact O-N 3.15Å; D157-H406 IonicContact OD1-NE2 3.54Å; D157-V563 HydrophobicContact CB-CB 3.92Å; D157-V563 HydrophobicContact CB-CG1 3.74Å; D157-S564 VanDerWaalsContact CG-N 3.29Å; D157-S564 VanDerWaalsContact CG-OG 3.25Å; D157-S564 PolarHBondContact OD1-N 2.92Å; D157-S564 PolarHBondContact OD1-OG 3.49Å; D157-S564 WeakPolarHBondContact OD2-CA 3.39Å; D157-S564 WeakPolarHBondContact OD2-CB 3.47Å; D157-S564 PolarHBondContact OD2-N 3.04Å; D157-S564 PolarHBondContact OD2-OG 2.81Å
158	Y	98.6	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-75.2	-41.9	178.7	-61.2	-70.7	0	0	0	111.4	R152 H154 A155 E156 R160 W161 Q162 W169 D170 Y171 C174 F178 V563 M573	R152-Y158 WeakPolarHBondContact O-CE2 3.17Å; R152-Y158 PolarHBondContact O-OH 2.89Å; H154-Y158 VanDerWaalsContact O-CD2 3.29Å; H154-Y158 WeakPolarHBondContact O-CD2 3.36Å; A155-Y158 PolarHBondContact O-N 2.94Å; E156-Y158 VanDerWaalsContact C-N 3.3Å; E156-Y158 PolarHBondContact O-N 3.4Å; Y158-R160 PolarHBondContact O-N 2.88Å; Y158-W161 HydrophobicContact CD1-CD2 4.23Å; Y158-W161 AromaticContact CD1-CE3 3.63Å; Y158-W161 HydrophobicContact CD1-CE3 3.63Å; Y158-W161 HydrophobicContact CD1-CH2 4.26Å; Y158-W161 AromaticContact CD1-CZ3 3.65Å; Y158-W161 HydrophobicContact CD1-CZ3 3.65Å; Y158-W161 HydrophobicContact CE1-CE3 4.04Å; Y158-W161 AromaticContact CE1-CH2 3.82Å; Y158-W161 HydrophobicContact CE1-CH2 3.82Å; Y158-W161 HydrophobicContact CE1-CZ2 4.48Å; Y158-W161 AromaticContact CE1-CZ3 3.57Å; Y158-W161 HydrophobicContact CE1-CZ3 3.57Å; Y158-W161 WeakPolarHBondContact O-CB 3.41Å; Y158-W161 PolarHBondContact O-N 3.21Å; Y158-Q162 PolarHBondContact O-N 2.82Å; Y158-Q162 VanDerWaalsContact O-N 3.15Å; Y158-W169 WeakPolarHBondContact CB-O 3.42Å; Y158-D170 WeakPolarHBondContact O-CA 3.36Å; Y158-Y171 AromaticContact CD2-CD2 3.81Å; Y158-Y171 HydrophobicContact CD2-CD2 3.81Å; Y158-Y171 HydrophobicContact CD2-CE2 4.49Å; Y158-Y171 HydrophobicContact CE2-CD2 4.48Å; Y158-C174 HydrophobicContact CD1-CB 4.1Å; Y158-C174 HydrophobicContact CG-CB 4.26Å; Y158-F178 HydrophobicContact CE1-CE2 4.39Å; Y158-F178 HydrophobicContact CE2-CE2 4.08Å; Y158-F178 HydrophobicContact CE2-CZ 4.46Å; Y158-F178 AromaticContact CZ-CE2 3.8Å; Y158-F178 AromaticContact CZ-CZ 3.87Å; Y158-F178 VanDerWaalsContact OH-CZ 3.27Å; Y158-F178 WeakPolarHBondContact OH-CZ 3.47Å; Y158-V563 HydrophobicContact CE1-CG1 4Å; Y158-M573 HydrophobicContact CD1-CE 4.29Å; Y158-M573 HydrophobicContact CE1-CE 3.66Å
159	N	98.4	Very high	97.7	Very high	48 Å²	48	32.4 Å²	32.4	26%	0.257	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-33.1	172.7	-61.9	-17.8	0	0	0	111.5	A155 E156 Q162 R163 Y171	A155-N159 PolarHBondContact O-N 2.83Å; A155-N159 VanDerWaalsContact O-N 3.1Å; E156-N159 PolarHBondContact OE2-ND2 3.19Å; N159-Q162 WeakPolarHBondContact O-CB 3.46Å; N159-R163 PolarHBondContact O-N 3.11Å; N159-R163 PolarHBondContact O-NH1 3.45Å; N159-Y171 PolarHBondContact OD1-N 3.36Å
160	R	98.1	Very high	97.8	Very high	51 Å²	51	33.4 Å²	33.4	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-44	171.6	-179.9	-177.4	56.8	-165.6	-5.8	111.9	E156 D157 Y158 Q162 R163 E164 I562	E156-R160 VanDerWaalsContact O-CB 3.31Å; E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 PolarHBondContact O-N 2.71Å; D157-R160 WeakPolarHBondContact O-CB 3.49Å; D157-R160 PolarHBondContact O-N 3.22Å; D157-R160 IonicContact OD1-NH2 2.83Å; D157-R160 PolarHBondContact OD1-NH2 2.87Å; Y158-R160 PolarHBondContact O-N 2.88Å; R160-Q162 VanDerWaalsContact C-N 3.26Å; R160-Q162 PolarHBondContact O-N 3.31Å; R160-R163 CarbonylContact O-C 3.57Å; R160-R163 WeakPolarHBondContact O-CA 3.36Å; R160-R163 WeakPolarHBondContact O-CB 3.18Å; R160-R163 PolarHBondContact O-N 3.32Å; R160-E164 HydrophobicContact CG-CG 4.19Å; R160-E164 WeakPolarHBondContact CG-OE1 3.33Å; R160-E164 IonicContact NE-OE1 2.65Å; R160-E164 WeakPolarHBondContact O-CG 3.39Å; R160-E164 PolarHBondContact O-N 2.58Å; R160-I562 PolarHBondContact NH2-O 2.99Å
161	W	98.4	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.1	-42.3	175.6	-68.4	-6.5	0	0	0	112.6	D157 Y158 R163 E164 G165 A166 W169 M559 P560 S561 V563 M573 M574	D157-W161 VanDerWaalsContact O-CD1 3.31Å; D157-W161 PolarHBondContact O-N 3.28Å; D157-W161 VanDerWaalsContact O-N 3.15Å; Y158-W161 HydrophobicContact CD1-CD2 4.23Å; Y158-W161 AromaticContact CD1-CE3 3.63Å; Y158-W161 HydrophobicContact CD1-CE3 3.63Å; Y158-W161 HydrophobicContact CD1-CH2 4.26Å; Y158-W161 AromaticContact CD1-CZ3 3.65Å; Y158-W161 HydrophobicContact CD1-CZ3 3.65Å; Y158-W161 HydrophobicContact CE1-CE3 4.04Å; Y158-W161 AromaticContact CE1-CH2 3.82Å; Y158-W161 HydrophobicContact CE1-CH2 3.82Å; Y158-W161 HydrophobicContact CE1-CZ2 4.48Å; Y158-W161 AromaticContact CE1-CZ3 3.57Å; Y158-W161 HydrophobicContact CE1-CZ3 3.57Å; Y158-W161 WeakPolarHBondContact O-CB 3.41Å; Y158-W161 PolarHBondContact O-N 3.21Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3.5Å; W161-E164 CarbonylContact O-C 3.49Å; W161-E164 PolarHBondContact O-N 3.19Å; W161-E164 VanDerWaalsContact O-N 3.15Å; W161-G165 PolarHBondContact O-N 3.1Å; W161-A166 HydrophobicContact CB-CB 4.19Å; W161-A166 WeakPolarHBondContact O-CB 3.45Å; W161-A166 PolarHBondContact O-N 3.25Å; W161-W169 HydrophobicContact CB-CB 4.43Å; W161-W169 HydrophobicContact CE3-CB 4.24Å; W161-W169 HydrophobicContact CZ3-CE3 4.34Å; W161-M559 HydrophobicContact CH2-CB 4.31Å; W161-M559 HydrophobicContact CH2-CG 3.76Å; W161-M559 HydrophobicContact CH2-SD 4.38Å; W161-M559 HydrophobicContact CZ2-CB 3.68Å; W161-M559 HydrophobicContact CZ2-CG 3.54Å; W161-M559 HydrophobicContact CZ2-SD 4.06Å; W161-P560 HydrophobicContact CB-CG 4.08Å; W161-P560 HydrophobicContact CD2-CG 4.47Å; W161-P560 HydrophobicContact CG-CB 4.42Å; W161-P560 HydrophobicContact CG-CG 3.96Å; W161-S561 PolarHBondContact NE1-O 3.44Å; W161-V563 HydrophobicContact CH2-CG1 3.82Å; W161-V563 HydrophobicContact CZ2-CG1 3.22Å; W161-M573 HydrophobicContact CZ3-CE 4.42Å; W161-M574 HydrophobicContact CH2-SD 3.88Å; W161-M574 HydrophobicContact CZ3-CG 4.39Å; W161-M574 HydrophobicContact CZ3-SD 4.09Å
162	Q	97.8	Very high	97.8	Very high	65 Å²	65	36.8 Å²	36.8	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-56.9	-46.2	173.9	177.4	71.2	-11.2	0	0	111.7	Y158 N159 R160 E164 G165 A166 E167 D170	Y158-Q162 PolarHBondContact O-N 2.82Å; Y158-Q162 VanDerWaalsContact O-N 3.15Å; N159-Q162 WeakPolarHBondContact O-CB 3.46Å; R160-Q162 VanDerWaalsContact C-N 3.26Å; R160-Q162 PolarHBondContact O-N 3.31Å; Q162-E164 VanDerWaalsContact C-N 3.29Å; Q162-E164 PolarHBondContact O-N 3.3Å; Q162-G165 PolarHBondContact O-N 3.43Å; Q162-G165 VanDerWaalsContact O-N 3.11Å; Q162-A166 PolarHBondContact OE1-O 3.26Å; Q162-A166 VanDerWaalsContact OE1-O 3.08Å; Q162-E167 VanDerWaalsContact OE1-C 3.29Å; Q162-D170 HydrophobicContact CB-CB 3.94Å; Q162-D170 HydrophobicContact CG-CB 4.27Å
163	R	97.3	Very high	97.9	Very high	160 Å²	160	39 Å²	39	60%	0.604	19%	0.188	S	C	*	.	H	α-helix	trans	-67.9	-27.9	177.2	-65.9	-174.4	-59.2	-96.2	4.6	113.3	E156 N159 R160 W161 G165	E156-R163 IonicContact OE1-CZ 2.72Å; E156-R163 IonicContact OE1-NH1 2.69Å; E156-R163 PolarHBondContact OE1-NH1 3.09Å; E156-R163 IonicContact OE1-NH2 3.11Å; E156-R163 PolarHBondContact OE1-NH2 3.48Å; N159-R163 PolarHBondContact O-N 3.11Å; N159-R163 PolarHBondContact O-NH1 3.45Å; R160-R163 CarbonylContact O-C 3.57Å; R160-R163 WeakPolarHBondContact O-CA 3.36Å; R160-R163 WeakPolarHBondContact O-CB 3.18Å; R160-R163 PolarHBondContact O-N 3.32Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3.5Å; R163-G165 PolarHBondContact O-N 2.97Å
164	E	97.1	Very high	97.9	Very high	66 Å²	66	38.6 Å²	38.6	31%	0.308	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.4	174	-68.5	167	157.2	0	0	112.5	R160 W161 Q162 P560 S561	R160-E164 HydrophobicContact CG-CG 4.19Å; R160-E164 WeakPolarHBondContact CG-OE1 3.33Å; R160-E164 IonicContact NE-OE1 2.65Å; R160-E164 WeakPolarHBondContact O-CG 3.39Å; R160-E164 PolarHBondContact O-N 2.58Å; W161-E164 CarbonylContact O-C 3.49Å; W161-E164 PolarHBondContact O-N 3.19Å; W161-E164 VanDerWaalsContact O-N 3.15Å; Q162-E164 VanDerWaalsContact C-N 3.29Å; Q162-E164 PolarHBondContact O-N 3.3Å; E164-P560 HydrophobicContact CB-CB 4.05Å; E164-P560 VanDerWaalsContact OE2-CB 3.29Å; E164-P560 WeakPolarHBondContact OE2-CB 3.36Å; E164-S561 VanDerWaalsContact CD-OG 3.29Å; E164-S561 WeakPolarHBondContact OE1-CB 3.28Å; E164-S561 PolarHBondContact OE1-OG 3.26Å; E164-S561 PolarHBondContact OE2-OG 3.19Å
165	G	96.4	Very high	98	Very high	23 Å²	23	37.6 Å²	37.6	24%	0.237	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	8.5	174.5	0	0	0	0	0	114.6	W161 Q162 R163 E167 S531	W161-G165 PolarHBondContact O-N 3.1Å; Q162-G165 PolarHBondContact O-N 3.43Å; Q162-G165 VanDerWaalsContact O-N 3.11Å; R163-G165 PolarHBondContact O-N 2.97Å; G165-E167 VanDerWaalsContact C-N 3.26Å; G165-E167 PolarHBondContact O-N 3.03Å; G165-S531 PolarHBondContact O-N 3.36Å
166	A	97.6	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.			trans	-81.7	75.1	168.6	0	0	0	0	0	109.9	W161 Q162 G168 W169 M529 P560	W161-A166 HydrophobicContact CB-CB 4.19Å; W161-A166 WeakPolarHBondContact O-CB 3.45Å; W161-A166 PolarHBondContact O-N 3.25Å; Q162-A166 PolarHBondContact OE1-O 3.26Å; Q162-A166 VanDerWaalsContact OE1-O 3.08Å; A166-G168 PolarHBondContact O-N 3.15Å; A166-W169 HydrophobicContact CB-CB 4.08Å; A166-W169 HydrophobicContact CB-CG 4.17Å; A166-W169 VanDerWaalsContact O-CB 3.28Å; A166-W169 WeakPolarHBondContact O-CB 3.23Å; A166-W169 PolarHBondContact O-N 3.08Å; A166-W169 VanDerWaalsContact O-N 3.07Å; A166-M529 HydrophobicContact CB-CB 4.07Å; A166-M529 HydrophobicContact CB-CE 4.36Å; A166-P560 HydrophobicContact CB-CG 3.73Å
167	E	97.1	Very high	98	Very high	149 Å²	149	35.7 Å²	35.7	70%	0.696	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	132.6	-176.5	-168.6	177.9	173.3	0	0	113.1	Q162 G165 W169 S541	Q162-E167 VanDerWaalsContact OE1-C 3.29Å; G165-E167 VanDerWaalsContact C-N 3.26Å; G165-E167 PolarHBondContact O-N 3.03Å; E167-W169 VanDerWaalsContact C-N 3.29Å; E167-W169 VanDerWaalsContact O-CD1 3.31Å; E167-W169 PolarHBondContact O-N 3.07Å; E167-S541 PolarHBondContact N-OG 3.02Å; E167-S541 WeakPolarHBondContact O-CB 3.24Å
168	G	97.2	Very high	98.1	Very high	16 Å²	16	35.7 Å²	35.7	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	15.3	-179.3	0	0	0	0	0	113.2	A166 H173 K577	A166-G168 PolarHBondContact O-N 3.15Å; G168-H173 WeakPolarHBondContact O-CB 3.49Å; G168-H173 VanDerWaalsContact O-CG 3.29Å; G168-K577 PolarHBondContact O-NZ 3.31Å
169	W	98.4	Very high	98.1	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	19%	0.185	C	C	.	.			trans	-106.5	18.3	176.7	-68.9	88.2	0	0	0	114.3	Y158 W161 A166 E167 C174 M529 S541 M573 M574 K577	Y158-W169 WeakPolarHBondContact CB-O 3.42Å; W161-W169 HydrophobicContact CB-CB 4.43Å; W161-W169 HydrophobicContact CE3-CB 4.24Å; W161-W169 HydrophobicContact CZ3-CE3 4.34Å; A166-W169 HydrophobicContact CB-CB 4.08Å; A166-W169 HydrophobicContact CB-CG 4.17Å; A166-W169 VanDerWaalsContact O-CB 3.28Å; A166-W169 WeakPolarHBondContact O-CB 3.23Å; A166-W169 PolarHBondContact O-N 3.08Å; A166-W169 VanDerWaalsContact O-N 3.07Å; E167-W169 VanDerWaalsContact C-N 3.29Å; E167-W169 VanDerWaalsContact O-CD1 3.31Å; E167-W169 PolarHBondContact O-N 3.07Å; W169-C174 PolarHBondContact O-SG 2.95Å; W169-M529 HydrophobicContact CD2-CE 3.97Å; W169-M529 HydrophobicContact CD2-SD 4.25Å; W169-M529 HydrophobicContact CE3-CE 4.45Å; W169-M529 HydrophobicContact CG-CE 4.25Å; W169-M529 HydrophobicContact CZ2-CE 4.34Å; W169-M529 HydrophobicContact CZ2-SD 3.89Å; W169-S541 PolarHBondContact NE1-O 2.76Å; W169-M573 HydrophobicContact CZ3-CE 4.3Å; W169-M573 HydrophobicContact CZ3-SD 4.04Å; W169-M574 HydrophobicContact CE3-CG 4.43Å; W169-M574 HydrophobicContact CH2-CB 4Å; W169-M574 HydrophobicContact CH2-CG 4Å; W169-M574 HydrophobicContact CZ3-CB 4.02Å; W169-M574 HydrophobicContact CZ3-CG 3.6Å; W169-K577 HydrophobicContact CD2-CD 4.43Å; W169-K577 VanDerWaalsContact CD2-NZ 3.27Å; W169-K577 HydrophobicContact CE3-CD 4.06Å; W169-K577 HydrophobicContact CH2-CB 4.11Å; W169-K577 HydrophobicContact CH2-CD 3.78Å; W169-K577 HydrophobicContact CH2-CG 4.12Å; W169-K577 HydrophobicContact CZ2-CD 4.15Å; W169-K577 HydrophobicContact CZ2-CG 4.49Å; W169-K577 HydrophobicContact CZ3-CB 4.37Å; W169-K577 HydrophobicContact CZ3-CD 3.7Å; W169-K577 HydrophobicContact CZ3-CG 4.45Å
170	D	98.4	Very high	98.1	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.144	18%	0.183	C	C	.	.	S	Bend	trans	-64.6	174.7	168	65.7	29	0	0	0	112.5	Y158 Q162 E172 H173 C174	Y158-D170 WeakPolarHBondContact O-CA 3.36Å; Q162-D170 HydrophobicContact CB-CB 3.94Å; Q162-D170 HydrophobicContact CG-CB 4.27Å; D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.33Å; D170-E172 PolarHBondContact OD1-N 2.7Å; D170-H173 VanDerWaalsContact CG-ND1 3.35Å; D170-H173 PolarHBondContact O-N 3.08Å; D170-H173 IonicContact OD1-CE1 2.73Å; D170-H173 IonicContact OD1-CG 3.65Å; D170-H173 PolarHBondContact OD1-N 2.94Å; D170-H173 VanDerWaalsContact OD1-N 3.08Å; D170-H173 IonicContact OD1-ND1 2.91Å; D170-H173 PolarHBondContact OD1-ND1 2.89Å; D170-H173 IonicContact OD2-CE1 3.98Å; D170-H173 IonicContact OD2-ND1 3.54Å; D170-H173 PolarHBondContact OD2-ND1 3.18Å; D170-C174 PolarHBondContact O-N 3.49Å; D170-C174 VanDerWaalsContact O-N 3.1Å; D170-C174 PolarHBondContact O-SG 3.36Å
171	Y	98.4	Very high	98.1	Very high	14 Å²	14	37.1 Å²	37.1	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-34.5	-174.4	-171.9	-121.6	0	0	0	113.5	A155 Y158 N159 H173 C174 L175 V593 V595	A155-Y171 HydrophobicContact CB-CD1 3.46Å; A155-Y171 VanDerWaalsContact CB-CD1 3.46Å; A155-Y171 HydrophobicContact CB-CD2 3.78Å; A155-Y171 HydrophobicContact CB-CE1 3.81Å; A155-Y171 HydrophobicContact CB-CE2 4.11Å; A155-Y171 HydrophobicContact CB-CG 3.42Å; A155-Y171 VanDerWaalsContact CB-CG 3.42Å; Y158-Y171 AromaticContact CD2-CD2 3.81Å; Y158-Y171 HydrophobicContact CD2-CD2 3.81Å; Y158-Y171 HydrophobicContact CD2-CE2 4.49Å; Y158-Y171 HydrophobicContact CE2-CD2 4.48Å; N159-Y171 PolarHBondContact OD1-N 3.36Å; Y171-H173 PolarHBondContact O-N 2.96Å; Y171-C174 PolarHBondContact O-N 3.25Å; Y171-C174 VanDerWaalsContact O-N 3.08Å; Y171-L175 HydrophobicContact CE1-CB 4.43Å; Y171-L175 HydrophobicContact CE1-CD2 4.13Å; Y171-L175 HydrophobicContact CE2-CB 4.3Å; Y171-L175 HydrophobicContact CE2-CD1 4.48Å; Y171-L175 WeakPolarHBondContact O-CB 3.5Å; Y171-L175 PolarHBondContact O-N 2.95Å; Y171-V593 HydrophobicContact CD1-CB 4.28Å; Y171-V593 HydrophobicContact CD1-CG1 4.35Å; Y171-V593 HydrophobicContact CE1-CB 4.22Å; Y171-V593 HydrophobicContact CE1-CG1 3.79Å; Y171-V595 HydrophobicContact CD1-CG2 4.16Å; Y171-V595 HydrophobicContact CE1-CG2 4.13Å
172	E	98.2	Very high	98.1	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-63.8	-33.1	179.2	-60.6	-170.7	161.7	0	0	111.6	D170 P176 V589 D590 P591 G592	D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.33Å; D170-E172 PolarHBondContact OD1-N 2.7Å; E172-P176 WeakPolarHBondContact O-CD 3.49Å; E172-V589 HydrophobicContact CB-CG2 4.21Å; E172-V589 WeakPolarHBondContact O-CA 3.34Å; E172-D590 WeakPolarHBondContact CB-O 3.45Å; E172-D590 PolarHBondContact O-N 2.82Å; E172-P591 WeakPolarHBondContact OE2-CA 3.45Å; E172-G592 PolarHBondContact OE1-N 3.06Å
173	H	98.5	Very high	98.2	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.218	17%	0.168	C	C	.	.	H	α-helix	trans	-88.1	-10.3	175	-64.8	87.3	0	0	0	114.1	G168 D170 Y171 Y177	G168-H173 WeakPolarHBondContact O-CB 3.49Å; G168-H173 VanDerWaalsContact O-CG 3.29Å; D170-H173 VanDerWaalsContact CG-ND1 3.35Å; D170-H173 PolarHBondContact O-N 3.08Å; D170-H173 IonicContact OD1-CE1 2.73Å; D170-H173 IonicContact OD1-CG 3.65Å; D170-H173 PolarHBondContact OD1-N 2.94Å; D170-H173 VanDerWaalsContact OD1-N 3.08Å; D170-H173 IonicContact OD1-ND1 2.91Å; D170-H173 PolarHBondContact OD1-ND1 2.89Å; D170-H173 IonicContact OD2-CE1 3.98Å; D170-H173 IonicContact OD2-ND1 3.54Å; D170-H173 PolarHBondContact OD2-ND1 3.18Å; Y171-H173 PolarHBondContact O-N 2.96Å; H173-Y177 VanDerWaalsContact O-CD2 3.31Å; H173-Y177 WeakPolarHBondContact O-CD2 3.37Å
174	C	98.6	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-99.3	-40.3	179.2	-68.9	0	0	0	0	112.8	Y158 W169 D170 Y171 Y177 F178 M573	Y158-C174 HydrophobicContact CD1-CB 4.1Å; Y158-C174 HydrophobicContact CG-CB 4.26Å; W169-C174 PolarHBondContact O-SG 2.95Å; D170-C174 PolarHBondContact O-N 3.49Å; D170-C174 VanDerWaalsContact O-N 3.1Å; D170-C174 PolarHBondContact O-SG 3.36Å; Y171-C174 PolarHBondContact O-N 3.25Å; Y171-C174 VanDerWaalsContact O-N 3.08Å; C174-Y177 PolarHBondContact O-N 2.83Å; C174-Y177 VanDerWaalsContact O-N 3.08Å; C174-F178 HydrophobicContact CB-CD2 4.5Å; C174-F178 HydrophobicContact CB-CE2 4.27Å; C174-F178 WeakPolarHBondContact O-CD2 3.29Å; C174-F178 PolarHBondContact O-N 3Å; C174-F178 VanDerWaalsContact O-N 3.13Å; C174-M573 HydrophobicContact CB-CE 3.88Å; C174-M573 HydrophobicContact CB-SD 3.96Å
175	L	98.7	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-43.3	-176.1	-179.2	61.7	0	0	0	114.1	Y171 Y177 F178 R179 Y191 V593	Y171-L175 HydrophobicContact CE1-CB 4.43Å; Y171-L175 HydrophobicContact CE1-CD2 4.13Å; Y171-L175 HydrophobicContact CE2-CB 4.3Å; Y171-L175 HydrophobicContact CE2-CD1 4.48Å; Y171-L175 WeakPolarHBondContact O-CB 3.5Å; Y171-L175 PolarHBondContact O-N 2.95Å; L175-Y177 PolarHBondContact O-N 2.88Å; L175-F178 WeakPolarHBondContact O-CB 3.49Å; L175-F178 PolarHBondContact O-N 3.29Å; L175-F178 VanDerWaalsContact O-N 3.15Å; L175-R179 HydrophobicContact CD1-CG 4.47Å; L175-R179 PolarHBondContact O-N 3.47Å; L175-Y191 HydrophobicContact CD2-CD1 4.06Å; L175-V593 HydrophobicContact CD2-CB 4.33Å; L175-V593 HydrophobicContact CD2-CG1 3.59Å; L175-V593 HydrophobicContact CD2-CG2 3.83Å
176	P	98.7	Very high	98.1	Very high	16 Å²	16	31.4 Å²	31.4	10%	0.104	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-33.7	177.3	-26.3	35.8	0	0	0	113.1	E172 R179 K180 L588 D590	E172-P176 WeakPolarHBondContact O-CD 3.49Å; P176-R179 PolarHBondContact O-N 2.79Å; P176-K180 WeakPolarHBondContact O-CB 2.88Å; P176-K180 PolarHBondContact O-N 3.15Å; P176-L588 HydrophobicContact CB-CB 3.53Å; P176-L588 HydrophobicContact CB-CD1 4.01Å; P176-L588 HydrophobicContact CB-CG 4.42Å; P176-L588 HydrophobicContact CG-CB 4.18Å; P176-D590 HydrophobicContact CG-CB 3.76Å
177	Y	98.8	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-77.2	-33.9	178.3	-72.4	-75.7	0	0	0	112.7	H173 C174 L175 R179 K180 A181 E576 K577 D580 P587 L588	H173-Y177 VanDerWaalsContact O-CD2 3.31Å; H173-Y177 WeakPolarHBondContact O-CD2 3.37Å; C174-Y177 PolarHBondContact O-N 2.83Å; C174-Y177 VanDerWaalsContact O-N 3.08Å; L175-Y177 PolarHBondContact O-N 2.88Å; Y177-R179 VanDerWaalsContact C-N 3.29Å; Y177-R179 PolarHBondContact O-N 3.33Å; Y177-K180 HydrophobicContact CD1-CD 4.02Å; Y177-K180 HydrophobicContact CE1-CD 4.28Å; Y177-K180 PolarHBondContact O-N 3.26Å; Y177-A181 WeakPolarHBondContact O-CB 3.36Å; Y177-A181 PolarHBondContact O-N 3.06Å; Y177-E576 HydrophobicContact CD1-CB 3.89Å; Y177-K577 HydrophobicContact CD1-CB 3.91Å; Y177-K577 HydrophobicContact CD2-CB 3.78Å; Y177-K577 HydrophobicContact CD2-CD 3.87Å; Y177-K577 HydrophobicContact CD2-CG 3.96Å; Y177-K577 VanDerWaalsContact CE1-CA 3.43Å; Y177-K577 HydrophobicContact CE1-CB 3.91Å; Y177-K577 HydrophobicContact CE1-CG 4.33Å; Y177-K577 HydrophobicContact CE2-CB 3.79Å; Y177-K577 HydrophobicContact CE2-CD 3.72Å; Y177-K577 HydrophobicContact CE2-CG 3.56Å; Y177-K577 HydrophobicContact CG-CB 3.83Å; Y177-K577 HydrophobicContact CG-CG 4.49Å; Y177-D580 HydrophobicContact CE1-CB 4.4Å; Y177-D580 VanDerWaalsContact CE1-OD2 3.24Å; Y177-D580 WeakPolarHBondContact CE1-OD2 3.46Å; Y177-D580 PolarHBondContact OH-OD2 2.82Å; Y177-P587 WeakPolarHBondContact OH-CA 3.46Å; Y177-L588 HydrophobicContact CD1-CD1 4.18Å; Y177-L588 HydrophobicContact CD2-CB 4.28Å; Y177-L588 HydrophobicContact CE1-CD1 3.91Å; Y177-L588 HydrophobicContact CE1-CG 4.12Å; Y177-L588 HydrophobicContact CE2-CB 3.69Å; Y177-L588 HydrophobicContact CE2-CD1 4.39Å; Y177-L588 HydrophobicContact CE2-CG 4.1Å; Y177-L588 PolarHBondContact OH-N 2.87Å; Y177-L588 VanDerWaalsContact OH-N 3.1Å
178	F	98.8	Very high	98.1	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-42.7	166.9	-78.8	-63.5	0	0	0	111.9	R152 Y158 C174 L175 Q182 A569 P570 M573	R152-F178 HydrophobicContact CB-CD1 4.22Å; R152-F178 HydrophobicContact CB-CE1 3.9Å; R152-F178 HydrophobicContact CB-CE2 4.28Å; R152-F178 HydrophobicContact CB-CZ 3.94Å; R152-F178 HydrophobicContact CG-CD1 3.67Å; R152-F178 HydrophobicContact CG-CE1 3.76Å; R152-F178 HydrophobicContact CG-CG 4.12Å; R152-F178 HydrophobicContact CG-CZ 4.29Å; Y158-F178 HydrophobicContact CE1-CE2 4.39Å; Y158-F178 HydrophobicContact CE2-CE2 4.08Å; Y158-F178 HydrophobicContact CE2-CZ 4.46Å; Y158-F178 AromaticContact CZ-CE2 3.8Å; Y158-F178 AromaticContact CZ-CZ 3.87Å; Y158-F178 VanDerWaalsContact OH-CZ 3.27Å; Y158-F178 WeakPolarHBondContact OH-CZ 3.47Å; C174-F178 HydrophobicContact CB-CD2 4.5Å; C174-F178 HydrophobicContact CB-CE2 4.27Å; C174-F178 WeakPolarHBondContact O-CD2 3.29Å; C174-F178 PolarHBondContact O-N 3Å; C174-F178 VanDerWaalsContact O-N 3.13Å; L175-F178 WeakPolarHBondContact O-CB 3.49Å; L175-F178 PolarHBondContact O-N 3.29Å; L175-F178 VanDerWaalsContact O-N 3.15Å; F178-Q182 VanDerWaalsContact O-CB 3.31Å; F178-Q182 WeakPolarHBondContact O-CB 3.32Å; F178-Q182 PolarHBondContact O-N 2.86Å; F178-A569 HydrophobicContact CE1-CB 4.09Å; F178-A569 WeakPolarHBondContact CE1-O 3.45Å; F178-P570 HydrophobicContact CZ-CG 4.47Å; F178-M573 HydrophobicContact CD1-CB 3.72Å; F178-M573 HydrophobicContact CD1-CG 4Å; F178-M573 HydrophobicContact CD2-CB 4.38Å; F178-M573 HydrophobicContact CD2-CG 3.78Å; F178-M573 HydrophobicContact CE1-CB 3.5Å; F178-M573 HydrophobicContact CE1-CG 3.97Å; F178-M573 HydrophobicContact CE2-CB 4.19Å; F178-M573 HydrophobicContact CE2-CE 3.94Å; F178-M573 HydrophobicContact CE2-CG 3.74Å; F178-M573 HydrophobicContact CG-CB 4.15Å; F178-M573 HydrophobicContact CG-CG 3.9Å; F178-M573 HydrophobicContact CZ-CB 3.74Å; F178-M573 HydrophobicContact CZ-CE 3.96Å; F178-M573 HydrophobicContact CZ-CG 3.82Å
179	R	98.6	Very high	98	Very high	77 Å²	77	34.2 Å²	34.2	29%	0.291	17%	0.173	S	C	.	.	H	α-helix	trans	-66.6	-46.2	175.9	-68.5	171.9	65.9	-162.8	-8.9	111.8	L175 P176 Y177 A181 Q182 N189 R190 Y191 G193 D590	L175-R179 HydrophobicContact CD1-CG 4.47Å; L175-R179 PolarHBondContact O-N 3.47Å; P176-R179 PolarHBondContact O-N 2.79Å; Y177-R179 VanDerWaalsContact C-N 3.29Å; Y177-R179 PolarHBondContact O-N 3.33Å; R179-A181 PolarHBondContact O-N 2.9Å; R179-Q182 PolarHBondContact O-N 2.79Å; R179-Q182 VanDerWaalsContact O-N 3.15Å; R179-N189 PolarHBondContact NE-O 3.17Å; R179-R190 VanDerWaalsContact CD-O 3.28Å; R179-R190 WeakPolarHBondContact CD-O 3.48Å; R179-Y191 VanDerWaalsContact CG-O 3.31Å; R179-Y191 WeakPolarHBondContact CG-O 3.35Å; R179-G193 WeakPolarHBondContact O-CA 3.48Å; R179-D590 IonicContact NH1-OD2 3.08Å; R179-D590 PolarHBondContact NH1-OD2 3.37Å
180	K	98.6	Very high	97.9	Very high	49 Å²	49	38.9 Å²	38.9	21%	0.213	19%	0.19	C	C	.	.	H	α-helix	trans	-55.9	-38.6	176.9	-174.8	-173.6	-179.8	-169.4	0	112.4	P176 Y177 G196 E576 D580 L588	P176-K180 WeakPolarHBondContact O-CB 2.88Å; P176-K180 PolarHBondContact O-N 3.15Å; Y177-K180 HydrophobicContact CD1-CD 4.02Å; Y177-K180 HydrophobicContact CE1-CD 4.28Å; Y177-K180 PolarHBondContact O-N 3.26Å; K180-G196 WeakPolarHBondContact O-CA 3.35Å; K180-E576 WeakPolarHBondContact CE-OE2 3.45Å; K180-E576 IonicContact NZ-OE2 3.5Å; K180-E576 PolarHBondContact NZ-OE2 3.13Å; K180-D580 IonicContact NZ-OD1 3.83Å; K180-D580 PolarHBondContact NZ-OD1 3.06Å; K180-D580 IonicContact NZ-OD2 3.29Å; K180-D580 PolarHBondContact NZ-OD2 3.36Å; K180-L588 HydrophobicContact CD-CD1 4.19Å
181	A	98.7	Very high	97.9	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-72.9	-32.2	179.8	0	0	0	0	0	113.4	Y177 R179 G196 P197 L198 Y255 I572 E576	Y177-A181 WeakPolarHBondContact O-CB 3.36Å; Y177-A181 PolarHBondContact O-N 3.06Å; R179-A181 PolarHBondContact O-N 2.9Å; A181-G196 CarbonylContact O-C 3.41Å; A181-P197 WeakPolarHBondContact O-CD 3.49Å; A181-L198 WeakPolarHBondContact O-CB 3.43Å; A181-L198 PolarHBondContact O-N 3.22Å; A181-Y255 WeakPolarHBondContact CA-OH 3.28Å; A181-Y255 WeakPolarHBondContact CB-OH 3.35Å; A181-I572 HydrophobicContact CB-CG2 3.96Å; A181-E576 HydrophobicContact CB-CG 4.18Å
182	Q	98.6	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.7	-163.4	-171.9	-172.5	49.2	0	0	113.4	F178 R179 H184 G193 G194 S195 G196 V200	F178-Q182 VanDerWaalsContact O-CB 3.31Å; F178-Q182 WeakPolarHBondContact O-CB 3.32Å; F178-Q182 PolarHBondContact O-N 2.86Å; R179-Q182 PolarHBondContact O-N 2.79Å; R179-Q182 VanDerWaalsContact O-N 3.15Å; Q182-H184 HydrophobicContact CG-CB 4.2Å; Q182-G193 CarbonylContact O-C 3.57Å; Q182-G193 WeakPolarHBondContact O-CA 3.27Å; Q182-G194 PolarHBondContact O-N 2.92Å; Q182-S195 PolarHBondContact O-N 3.31Å; Q182-G196 WeakPolarHBondContact O-CA 3.35Å; Q182-G196 PolarHBondContact O-N 3.41Å; Q182-V200 HydrophobicContact CG-CB 4.1Å; Q182-V200 HydrophobicContact CG-CG2 3.8Å
183	C	98.6	Very high	97.8	Very high	25 Å²	25	36.5 Å²	36.5	17%	0.169	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	100.9	156.9	171.2	0	0	0	0	108.5	G194 G196 L198 H199 V200	C183-G194 PolarHBondContact SG-O 2.9Å; C183-G196 WeakPolarHBondContact CB-O 3.4Å; C183-G196 PolarHBondContact N-O 2.97Å; C183-L198 PolarHBondContact N-O 2.86Å; C183-H199 WeakPolarHBondContact O-CA 3.32Å; C183-H199 VanDerWaalsContact SG-CE1 3.57Å; C183-H199 PolarHBondContact SG-ND1 3.11Å; C183-H199 VanDerWaalsContact SG-ND1 3.4Å; C183-V200 PolarHBondContact O-N 2.83Å
184	H	98.1	Very high	97.7	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.7	-177.6	-162.3	-88.9	0	0	0	111.5	Q182 L186 G187 R192 G193 V200 D240	Q182-H184 HydrophobicContact CG-CB 4.2Å; H184-L186 WeakPolarHBondContact ND1-CB 3.38Å; H184-L186 PolarHBondContact ND1-N 3.46Å; H184-L186 VanDerWaalsContact ND1-N 3.11Å; H184-L186 PolarHBondContact O-N 2.93Å; H184-G187 PolarHBondContact O-N 3.26Å; H184-R192 HydrophobicContact CB-CB 4.32Å; H184-G193 WeakPolarHBondContact CB-O 3.5Å; H184-G193 PolarHBondContact N-O 3.28Å; H184-V200 WeakPolarHBondContact CA-O 3.08Å; H184-D240 IonicContact CD2-OD2 2.71Å; H184-D240 IonicContact CE1-OD1 3.43Å; H184-D240 IonicContact NE2-OD1 3.69Å; H184-D240 PolarHBondContact NE2-OD1 3.24Å; H184-D240 IonicContact NE2-OD2 3.46Å; H184-D240 PolarHBondContact NE2-OD2 3.45Å
185	E	96.3	Very high	97.6	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.9	-177.9	73	171.6	178.3	0	0	114.3	G187 V200 R202 K204	E185-G187 PolarHBondContact O-N 3.28Å; E185-V200 PolarHBondContact N-O 3.29Å; E185-R202 WeakPolarHBondContact OE1-CA 3.49Å; E185-R202 VanDerWaalsContact OE1-CB 3.23Å; E185-R202 WeakPolarHBondContact OE1-CB 3.39Å; E185-R202 PolarHBondContact OE1-N 3.01Å; E185-K204 WeakPolarHBondContact OE1-CE 3.41Å; E185-K204 IonicContact OE1-NZ 3.85Å; E185-K204 PolarHBondContact OE1-NZ 2.95Å; E185-K204 IonicContact OE2-NZ 3.88Å; E185-K204 PolarHBondContact OE2-NZ 3.2Å
186	L	95.6	Very high	97.6	Very high	85 Å²	85	41.1 Å²	41.1	45%	0.445	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	4.9	175.5	-57.3	178.2	0	0	0	113.3	H184 R202	H184-L186 WeakPolarHBondContact ND1-CB 3.38Å; H184-L186 PolarHBondContact ND1-N 3.46Å; H184-L186 VanDerWaalsContact ND1-N 3.11Å; H184-L186 PolarHBondContact O-N 2.93Å; L186-R202 HydrophobicContact CD1-CB 4.39Å
187	G	96.6	Very high	97.6	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	23%	0.227	S	C	.	.			trans	81.6	174.6	-176.6	0	0	0	0	0	114.1	H184 E185	H184-G187 PolarHBondContact O-N 3.26Å; E185-G187 PolarHBondContact O-N 3.28Å
188	E	97.1	Very high	97.6	Very high	137 Å²	137	42.2 Å²	42.2	64%	0.64	23%	0.227	S	C	*	.			trans	-78.1	151.5	179.9	64.5	-177.7	-171.7	0	0	112.8	R192	E188-R192 WeakPolarHBondContact CA-O 3.47Å
189	N	96.4	Very high	97.6	Very high	57 Å²	57	44.4 Å²	44.4	31%	0.305	24%	0.237	S	C	.	.			trans	-151.3	-164.1	165.1	68.6	18	0	0	0	108.5	R179 Y191 R192	R179-N189 PolarHBondContact NE-O 3.17Å; N189-Y191 PolarHBondContact O-N 3.08Å; N189-Y191 WeakPolarHBondContact OD1-CA 3.36Å; N189-Y191 PolarHBondContact OD1-N 3.1Å; N189-R192 PolarHBondContact N-O 3.06Å; N189-R192 VanDerWaalsContact N-O 3.11Å; N189-R192 PolarHBondContact ND2-NE 3.38Å; N189-R192 PolarHBondContact ND2-NH2 3.24Å; N189-R192 VanDerWaalsContact ND2-NH2 3.17Å; N189-R192 VanDerWaalsContact O-O 3.05Å; N189-R192 WeakPolarHBondContact OD1-CB 3.1Å; N189-R192 PolarHBondContact OD1-N 2.95Å
190	R	95.8	Very high	97.6	Very high	102 Å²	102	40.9 Å²	40.9	39%	0.385	22%	0.224	S	C	.	.	S	Bend	trans	-59.1	-28.9	178.5	-170.7	168.6	-172.3	-177.7	-2.3	113.6	R179 D590 P591 G592	R179-R190 VanDerWaalsContact CD-O 3.28Å; R179-R190 WeakPolarHBondContact CD-O 3.48Å; R190-D590 IonicContact NE-OD1 3.92Å; R190-D590 IonicContact NH2-OD1 2.93Å; R190-P591 PolarHBondContact NH2-O 2.96Å; R190-G592 PolarHBondContact NH2-O 2.83Å
191	Y	97.7	Very high	97.4	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.082	22%	0.221	C	C	.	.	S	Bend	trans	-104.2	-31.9	-178.7	-57	-90.1	0	0	0	113	R152 L175 R179 N189 V593 P594	R152-Y191 PolarHBondContact NH1-O 3.21Å; R152-Y191 PolarHBondContact NH2-O 2.73Å; L175-Y191 HydrophobicContact CD2-CD1 4.06Å; R179-Y191 VanDerWaalsContact CG-O 3.31Å; R179-Y191 WeakPolarHBondContact CG-O 3.35Å; N189-Y191 PolarHBondContact O-N 3.08Å; N189-Y191 WeakPolarHBondContact OD1-CA 3.36Å; N189-Y191 PolarHBondContact OD1-N 3.1Å; Y191-V593 HydrophobicContact CD1-CG1 4.29Å; Y191-V593 HydrophobicContact CE1-CG1 3.53Å; Y191-P594 WeakPolarHBondContact OH-CG 3.38Å; Y191-P594 PolarHBondContact OH-O 2.8Å
192	R	96.3	Very high	97.2	Very high	30 Å²	30	40.3 Å²	40.3	11%	0.113	22%	0.224	C	C	.	.			trans	-100.1	139.7	-172.6	-64.4	-170.7	-66.1	-111.3	10.3	111.8	H184 E188 N189 D227	H184-R192 HydrophobicContact CB-CB 4.32Å; E188-R192 WeakPolarHBondContact CA-O 3.47Å; N189-R192 PolarHBondContact N-O 3.06Å; N189-R192 VanDerWaalsContact N-O 3.11Å; N189-R192 PolarHBondContact ND2-NE 3.38Å; N189-R192 PolarHBondContact ND2-NH2 3.24Å; N189-R192 VanDerWaalsContact ND2-NH2 3.17Å; N189-R192 VanDerWaalsContact O-O 3.05Å; N189-R192 WeakPolarHBondContact OD1-CB 3.1Å; N189-R192 PolarHBondContact OD1-N 2.95Å; R192-D227 WeakPolarHBondContact CD-OD2 3.3Å; R192-D227 IonicContact CZ-OD2 3.21Å; R192-D227 IonicContact NE-OD2 3.7Å; R192-D227 IonicContact NH1-OD2 2.86Å; R192-D227 PolarHBondContact NH1-OD2 3.1Å
193	G	97.8	Very high	96.5	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	23%	0.225	C	C	.	.			trans	-86.5	146.9	171.5	0	0	0	0	0	111.8	R179 Q182 H184	R179-G193 WeakPolarHBondContact O-CA 3.48Å; Q182-G193 CarbonylContact O-C 3.57Å; Q182-G193 WeakPolarHBondContact O-CA 3.27Å; H184-G193 WeakPolarHBondContact CB-O 3.5Å; H184-G193 PolarHBondContact N-O 3.28Å
194	G	97.3	Very high	95.3	Very high	27 Å²	27	46.4 Å²	46.4	28%	0.278	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-109.2	-16.1	-180	0	0	0	0	0	115	Q182 C183	Q182-G194 PolarHBondContact O-N 2.92Å; C183-G194 PolarHBondContact SG-O 2.9Å
195	S	97.1	Very high	94.7	Very high	110 Å²	110	48.1 Å²	48.1	77%	0.769	26%	0.259	S	S	*	.	S	Bend	trans	-134.9	-0.7	-164.2	57.6	0	0	0	0	114.9	Q182	Q182-S195 PolarHBondContact O-N 3.31Å
196	G	98.3	Very high	94.4	Very high	7 Å²	7	52.4 Å²	52.4	7%	0.072	29%	0.285	C	S	.	.	S	Bend	trans	-68	161	177.6	0	0	0	0	0	113.2	K180 A181 Q182 C183 L198	K180-G196 WeakPolarHBondContact O-CA 3.35Å; A181-G196 CarbonylContact O-C 3.41Å; Q182-G196 WeakPolarHBondContact O-CA 3.35Å; Q182-G196 PolarHBondContact O-N 3.41Å; C183-G196 WeakPolarHBondContact CB-O 3.4Å; C183-G196 PolarHBondContact N-O 2.97Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 3.2Å
197	P	98.3	Very high	94.4	Very high	37 Å²	37	49.5 Å²	49.5	24%	0.24	27%	0.268	C	S	.	.	S	Bend	trans	-71.5	-20.8	-174.8	28	-36.2	0	0	0	114.4	A181 H199 W249 A254 Y255	A181-P197 WeakPolarHBondContact O-CD 3.49Å; P197-H199 PolarHBondContact O-N 2.87Å; P197-W249 PolarHBondContact O-NE1 2.92Å; P197-A254 HydrophobicContact CB-CB 4.34Å; P197-A254 WeakPolarHBondContact CB-O 3.23Å; P197-A254 VanDerWaalsContact O-CB 3.23Å; P197-A254 WeakPolarHBondContact O-CB 3.3Å; P197-Y255 HydrophobicContact CB-CE1 4.32Å; P197-Y255 HydrophobicContact CG-CD1 3.81Å; P197-Y255 HydrophobicContact CG-CD2 4.42Å; P197-Y255 HydrophobicContact CG-CE1 3.21Å; P197-Y255 HydrophobicContact CG-CE2 3.9Å; P197-Y255 HydrophobicContact CG-CG 4.38Å; P197-Y255 WeakPolarHBondContact CG-OH 3.47Å
198	L	98.7	Very high	94.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	100.7	179.2	-170.9	74.6	0	0	0	109.9	Y150 A181 C183 G196 V200 T242 A254 Y255 I572	Y150-L198 HydrophobicContact CD2-CD2 4.15Å; Y150-L198 HydrophobicContact CE2-CD2 3.75Å; A181-L198 WeakPolarHBondContact O-CB 3.43Å; A181-L198 PolarHBondContact O-N 3.22Å; C183-L198 PolarHBondContact N-O 2.86Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 3.2Å; L198-V200 HydrophobicContact CD2-CG2 4.37Å; L198-V200 HydrophobicContact CG-CG2 4.38Å; L198-V200 PolarHBondContact O-N 3.07Å; L198-T242 HydrophobicContact CD1-CG2 4.18Å; L198-T242 HydrophobicContact CD2-CG2 4.12Å; L198-T242 HydrophobicContact CG-CG2 4.22Å; L198-A254 HydrophobicContact CB-CB 4.35Å; L198-A254 HydrophobicContact CD1-CB 3.98Å; L198-Y255 HydrophobicContact CB-CE2 4.45Å; L198-I572 HydrophobicContact CD1-CD1 4.25Å; L198-I572 HydrophobicContact CD2-CD1 3.88Å
199	H	98.6	Very high	94.4	Very high	47 Å²	47	44.4 Å²	44.4	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.8	171.4	-73.4	-65.8	0	0	0	111.5	C183 P197 Y244 W249	C183-H199 WeakPolarHBondContact O-CA 3.32Å; C183-H199 VanDerWaalsContact SG-CE1 3.57Å; C183-H199 PolarHBondContact SG-ND1 3.11Å; C183-H199 VanDerWaalsContact SG-ND1 3.4Å; P197-H199 PolarHBondContact O-N 2.87Å; H199-Y244 HydrophobicContact CB-CD2 3.72Å; H199-Y244 HydrophobicContact CB-CG 3.79Å; H199-Y244 AromaticContact CD2-CD1 3.77Å; H199-Y244 AromaticContact CD2-CD2 3.78Å; H199-Y244 AromaticContact CD2-CE1 3.9Å; H199-Y244 AromaticContact CD2-CE2 3.91Å; H199-Y244 AromaticContact CD2-CG 3.7Å; H199-Y244 AromaticContact CD2-CZ 3.97Å; H199-Y244 AromaticContact CE1-CE2 3.86Å; H199-Y244 AromaticContact CG-CD2 3.51Å; H199-Y244 AromaticContact CG-CE2 3.85Å; H199-Y244 AromaticContact CG-CG 3.75Å; H199-Y244 AromaticContact ND1-CD2 3.87Å; H199-Y244 AromaticContact ND1-CE2 3.81Å; H199-Y244 AromaticContact NE2-CE1 3.98Å; H199-Y244 AromaticContact NE2-CE2 3.93Å; H199-Y244 AromaticContact NE2-CZ 3.76Å; H199-W249 HydrophobicContact CB-CG 4.15Å; H199-W249 AromaticContact CD2-CE2 3.63Å; H199-W249 AromaticContact CD2-CZ2 3.73Å; H199-W249 AromaticContact CD2-NE1 3.54Å
200	V	98.2	Very high	94.5	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128	177.6	-180	0	0	0	0	108.7	Y150 Q182 C183 H184 E185 L198 D240 M241 T242	Y150-V200 HydrophobicContact CD1-CG1 3.83Å; Y150-V200 HydrophobicContact CD1-CG2 4.24Å; Y150-V200 HydrophobicContact CD2-CG2 3.74Å; Y150-V200 HydrophobicContact CE1-CG1 4.45Å; Y150-V200 HydrophobicContact CE1-CG2 4.39Å; Y150-V200 HydrophobicContact CE2-CG2 3.88Å; Y150-V200 HydrophobicContact CG-CG1 3.9Å; Y150-V200 HydrophobicContact CG-CG2 3.93Å; Q182-V200 HydrophobicContact CG-CB 4.1Å; Q182-V200 HydrophobicContact CG-CG2 3.8Å; C183-V200 PolarHBondContact O-N 2.83Å; H184-V200 WeakPolarHBondContact CA-O 3.08Å; E185-V200 PolarHBondContact N-O 3.29Å; L198-V200 HydrophobicContact CD2-CG2 4.37Å; L198-V200 HydrophobicContact CG-CG2 4.38Å; L198-V200 PolarHBondContact O-N 3.07Å; V200-D240 HydrophobicContact CG1-CB 3.62Å; V200-M241 WeakPolarHBondContact CA-O 3.18Å; V200-T242 HydrophobicContact CG2-CG2 4.37Å
201	S	96.4	Very high	94.5	Very high	20 Å²	20	41.7 Å²	41.7	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144	178	60	0	0	0	0	110.5	D240 M241 I243	S201-D240 CarbonylContact O-C 3.6Å; S201-D240 WeakPolarHBondContact O-CA 3.4Å; S201-M241 PolarHBondContact N-O 2.78Å; S201-M241 PolarHBondContact O-N 3.03Å; S201-M241 PolarHBondContact OG-O 2.91Å; S201-I243 PolarHBondContact OG-O 2.67Å
202	R	94.3	Very high	94.6	Very high	20 Å²	20	41 Å²	41	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.9	167.5	-179.4	56.4	60.1	107.7	-3.1	109	E185 L186 K204 D226 W238 D240	E185-R202 WeakPolarHBondContact OE1-CA 3.49Å; E185-R202 VanDerWaalsContact OE1-CB 3.23Å; E185-R202 WeakPolarHBondContact OE1-CB 3.39Å; E185-R202 PolarHBondContact OE1-N 3.01Å; L186-R202 HydrophobicContact CD1-CB 4.39Å; R202-K204 VanDerWaalsContact C-N 3.34Å; R202-K204 PolarHBondContact O-N 2.71Å; R202-D226 PolarHBondContact NH1-O 2.83Å; R202-D226 PolarHBondContact NH2-O 3.35Å; R202-W238 VanDerWaalsContact CD-CB 3.48Å; R202-W238 HydrophobicContact CG-CB 4.47Å; R202-D240 IonicContact CZ-OD1 3.7Å; R202-D240 IonicContact NE-OD1 2.66Å; R202-D240 PolarHBondContact NE-OD1 3.4Å; R202-D240 IonicContact NH2-OD1 3.54Å
203	G	82.3	Confident	94.7	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	22%	0.223	C	C	.	.			trans	-60	91	172.1	0	0	0	0	0	112.5	M239	G203-M239 PolarHBondContact N-O 3.26Å
204	K	73.8	Confident	94.7	Very high	150 Å²	150	39.5 Å²	39.5	65%	0.652	22%	0.222	S	C	*	.			trans	-83.6	112.6	175.2	-70.2	175.8	-177.2	155.9	0	109.2	E185 R202	E185-K204 WeakPolarHBondContact OE1-CE 3.41Å; E185-K204 IonicContact OE1-NZ 3.85Å; E185-K204 PolarHBondContact OE1-NZ 2.95Å; E185-K204 IonicContact OE2-NZ 3.88Å; E185-K204 PolarHBondContact OE2-NZ 3.2Å; R202-K204 VanDerWaalsContact C-N 3.34Å; R202-K204 PolarHBondContact O-N 2.71Å
205	T	86.5	Confident	94.8	Very high	40 Å²	40	40.3 Å²	40.3	25%	0.245	22%	0.22	C	C	.	.			trans	-149.1	141.3	174.3	-172.9	0	0	0	0	111.3	H207 H210 W238 E393	T205-H207 VanDerWaalsContact C-N 3.3Å; T205-H207 HydrophobicContact CG2-CB 4.48Å; T205-H207 WeakPolarHBondContact OG1-CB 3.38Å; T205-H207 PolarHBondContact OG1-N 3.09Å; T205-H207 VanDerWaalsContact OG1-N 3.08Å; T205-H210 HydrophobicContact CG2-CB 4.02Å; T205-W238 HydrophobicContact CG2-CZ3 3.88Å; T205-E393 HydrophobicContact CG2-CB 3.68Å; T205-E393 HydrophobicContact CG2-CG 3.8Å
206	N	89.8	Confident	94.9	Very high	170 Å²	170	35 Å²	35	91%	0.909	18%	0.183	S	C	*	.			trans	-96.4	11.4	168.8	-66.9	-26	0	0	0	111.2	P208	N206-P208 WeakPolarHBondContact O-CD 3.41Å
207	H	94.4	Very high	94.9	Very high	23 Å²	23	34.7 Å²	34.7	11%	0.106	18%	0.18	C	C	.	.			trans	-71.3	119.1	-177	-173.8	-51.4	0	0	0	109.9	T205 L209 H210 I361	T205-H207 VanDerWaalsContact C-N 3.3Å; T205-H207 HydrophobicContact CG2-CB 4.48Å; T205-H207 WeakPolarHBondContact OG1-CB 3.38Å; T205-H207 PolarHBondContact OG1-N 3.09Å; T205-H207 VanDerWaalsContact OG1-N 3.08Å; H207-L209 VanDerWaalsContact C-N 3.28Å; H207-L209 PolarHBondContact ND1-N 3.04Å; H207-L209 PolarHBondContact O-N 3.07Å; H207-L209 VanDerWaalsContact O-N 3.16Å; H207-H210 PolarHBondContact O-N 2.66Å; H207-H210 VanDerWaalsContact O-N 3.15Å; H207-I361 PolarHBondContact NE2-O 3.19Å
208	P	97.2	Very high	94.9	Very high	61 Å²	61	37 Å²	37	40%	0.396	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-31.9	-167.1	23.2	-34.8	0	0	0	113.6	N206 H210 K211 A212 I361 F492	N206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-H210 VanDerWaalsContact C-N 3.31Å; P208-H210 PolarHBondContact O-N 3.37Å; P208-K211 PolarHBondContact O-N 2.88Å; P208-A212 PolarHBondContact O-N 3.37Å; P208-I361 HydrophobicContact CG-CD1 4.05Å; P208-F492 HydrophobicContact CB-CZ 4.04Å
209	L	98	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-30.4	178.5	-67.8	-177.7	0	0	0	114.7	H207 A212 F213 I361 T362 F413 P415 Y431 F489 F492	H207-L209 VanDerWaalsContact C-N 3.28Å; H207-L209 PolarHBondContact ND1-N 3.04Å; H207-L209 PolarHBondContact O-N 3.07Å; H207-L209 VanDerWaalsContact O-N 3.16Å; L209-A212 PolarHBondContact O-N 3.29Å; L209-F213 PolarHBondContact O-N 3.26Å; L209-I361 HydrophobicContact CD1-CD1 4.24Å; L209-I361 HydrophobicContact CD1-CG1 4.36Å; L209-I361 HydrophobicContact CD2-CD1 4.12Å; L209-I361 HydrophobicContact CG-CD1 3.88Å; L209-T362 HydrophobicContact CD1-CG2 4.12Å; L209-F413 HydrophobicContact CB-CE1 3.77Å; L209-F413 HydrophobicContact CB-CZ 3.79Å; L209-F413 WeakPolarHBondContact O-CE1 3.41Å; L209-P415 HydrophobicContact CB-CB 4.39Å; L209-P415 HydrophobicContact CD1-CB 3.9Å; L209-Y431 HydrophobicContact CD1-CD1 3.98Å; L209-Y431 HydrophobicContact CD1-CG 4.33Å; L209-Y431 HydrophobicContact CD2-CD1 4.19Å; L209-Y431 HydrophobicContact CD2-CE1 4.41Å; L209-F489 HydrophobicContact CD2-CE1 4.39Å; L209-F492 HydrophobicContact CD2-CB 3.71Å; L209-F492 HydrophobicContact CD2-CD1 3.94Å; L209-F492 HydrophobicContact CD2-CD2 3.73Å; L209-F492 HydrophobicContact CD2-CE2 4.34Å; L209-F492 HydrophobicContact CD2-CG 3.51Å
210	H	97.6	Very high	94.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-42	175.6	-71	-89.8	0	0	0	111.2	T205 H207 P208 F213 I214 W238 E393 S394 F413 P415	T205-H210 HydrophobicContact CG2-CB 4.02Å; H207-H210 PolarHBondContact O-N 2.66Å; H207-H210 VanDerWaalsContact O-N 3.15Å; P208-H210 VanDerWaalsContact C-N 3.31Å; P208-H210 PolarHBondContact O-N 3.37Å; H210-F213 PolarHBondContact O-N 2.69Å; H210-I214 WeakPolarHBondContact O-CG1 3.49Å; H210-I214 PolarHBondContact O-N 2.66Å; H210-I214 VanDerWaalsContact O-N 3.12Å; H210-W238 HydrophobicContact CB-CH2 4.34Å; H210-W238 HydrophobicContact CB-CZ3 3.89Å; H210-E393 IonicContact CE1-OE2 3.67Å; H210-E393 PolarHBondContact CE1-OE2 2.75Å; H210-E393 IonicContact ND1-OE2 2.7Å; H210-E393 IonicContact NE2-OE2 3.18Å; H210-E393 PolarHBondContact NE2-OE2 3.34Å; H210-S394 PolarHBondContact ND1-N 2.97Å; H210-S394 PolarHBondContact ND1-OG 2.95Å; H210-F413 AromaticContact CE1-CD1 3.99Å; H210-F413 AromaticContact ND1-CD1 3.77Å; H210-P415 WeakPolarHBondContact NE2-CD 3.41Å
211	K	97.1	Very high	94.8	Very high	102 Å²	102	40.7 Å²	40.7	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-43.5	174.5	-178.4	53.5	173.1	159.1	0	110.9	P208 F213 I214 D215	P208-K211 PolarHBondContact O-N 2.88Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.15Å; K211-I214 PolarHBondContact O-N 2.83Å; K211-D215 WeakPolarHBondContact CE-OD1 3.32Å; K211-D215 WeakPolarHBondContact CE-OD2 3.42Å; K211-D215 IonicContact NZ-OD1 3.24Å; K211-D215 PolarHBondContact NZ-OD1 3.19Å; K211-D215 IonicContact NZ-OD2 3.32Å; K211-D215 WeakPolarHBondContact O-CB 3.38Å; K211-D215 VanDerWaalsContact O-CG 3.28Å; K211-D215 PolarHBondContact O-N 2.88Å
212	A	98.4	Very high	94.9	Very high	6 Å²	6	40 Å²	40	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-40.9	174.9	0	0	0	0	0	112.3	P208 L209 A216 A488 F489 F492	P208-A212 PolarHBondContact O-N 3.37Å; L209-A212 PolarHBondContact O-N 3.29Å; A212-A216 WeakPolarHBondContact O-CB 3.38Å; A212-A216 PolarHBondContact O-N 3.1Å; A212-A488 WeakPolarHBondContact O-CB 3.28Å; A212-F489 HydrophobicContact CB-CD1 4.15Å; A212-F489 HydrophobicContact CB-CE1 3.99Å; A212-F489 HydrophobicContact CB-CZ 4.39Å; A212-F492 HydrophobicContact CB-CD2 4.16Å; A212-F492 HydrophobicContact CB-CE2 3.95Å
213	F	98.6	Very high	95	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.4	176.8	-99.4	0	0	0	112.7	L209 H210 K211 A216 G217 V236 F411 F413 V433 I483 F484 F489	L209-F213 PolarHBondContact O-N 3.26Å; H210-F213 PolarHBondContact O-N 2.69Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.15Å; F213-A216 PolarHBondContact O-N 3.18Å; F213-G217 PolarHBondContact O-N 3.31Å; F213-V236 HydrophobicContact CE1-CB 4.48Å; F213-V236 HydrophobicContact CE1-CG1 4.21Å; F213-V236 HydrophobicContact CZ-CG1 4.39Å; F213-F411 HydrophobicContact CZ-CB 4.04Å; F213-F411 HydrophobicContact CZ-CG 4.43Å; F213-F413 HydrophobicContact CB-CB 4.36Å; F213-F413 HydrophobicContact CB-CD1 4.12Å; F213-F413 HydrophobicContact CB-CD2 3.75Å; F213-F413 HydrophobicContact CB-CE1 4.4Å; F213-F413 HydrophobicContact CB-CE2 4.04Å; F213-F413 HydrophobicContact CB-CG 3.79Å; F213-F413 HydrophobicContact CB-CZ 4.36Å; F213-F413 HydrophobicContact CD1-CB 3.84Å; F213-F413 HydrophobicContact CD1-CG 4.21Å; F213-F413 HydrophobicContact CD2-CB 4.11Å; F213-F413 AromaticContact CD2-CD2 3.46Å; F213-F413 HydrophobicContact CD2-CD2 3.46Å; F213-F413 VanDerWaalsContact CD2-CD2 3.46Å; F213-F413 HydrophobicContact CD2-CE2 4.17Å; F213-F413 AromaticContact CD2-CG 3.98Å; F213-F413 HydrophobicContact CD2-CG 3.98Å; F213-F413 HydrophobicContact CE1-CB 4.19Å; F213-F413 HydrophobicContact CE2-CB 4.42Å; F213-F413 HydrophobicContact CE2-CD2 4.23Å; F213-F413 HydrophobicContact CG-CB 3.8Å; F213-F413 HydrophobicContact CG-CD1 4.46Å; F213-F413 AromaticContact CG-CD2 3.62Å; F213-F413 HydrophobicContact CG-CD2 3.62Å; F213-F413 HydrophobicContact CG-CE2 4.34Å; F213-F413 AromaticContact CG-CG 3.69Å; F213-F413 HydrophobicContact CG-CG 3.69Å; F213-F413 HydrophobicContact CZ-CB 4.45Å; F213-V433 HydrophobicContact CD2-CG1 4.12Å; F213-V433 HydrophobicContact CE2-CG1 3.48Å; F213-V433 VanDerWaalsContact CE2-CG1 3.48Å; F213-V433 HydrophobicContact CZ-CG1 4.1Å; F213-I483 HydrophobicContact CD2-CG2 4.21Å; F213-I483 HydrophobicContact CE2-CG2 4Å; F213-F484 HydrophobicContact CD2-CE1 4.19Å; F213-F484 HydrophobicContact CE2-CE1 4.5Å; F213-F489 HydrophobicContact CB-CE2 4.45Å; F213-F489 HydrophobicContact CB-CZ 3.9Å; F213-F489 HydrophobicContact CD2-CE2 4.47Å; F213-F489 HydrophobicContact CD2-CZ 4.31Å
214	I	98.1	Very high	95.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-48.3	178.4	-65.9	168.9	0	0	0	110.2	H210 K211 A216 G217 Q218 F224 V236 W238	H210-I214 WeakPolarHBondContact O-CG1 3.49Å; H210-I214 PolarHBondContact O-N 2.66Å; H210-I214 VanDerWaalsContact O-N 3.12Å; K211-I214 PolarHBondContact O-N 2.83Å; I214-A216 VanDerWaalsContact C-N 3.31Å; I214-A216 PolarHBondContact O-N 3.4Å; I214-G217 PolarHBondContact O-N 3.05Å; I214-Q218 WeakPolarHBondContact O-CG 3.45Å; I214-Q218 PolarHBondContact O-N 3.11Å; I214-F224 HydrophobicContact CG2-CD2 3.7Å; I214-F224 HydrophobicContact CG2-CE2 3.94Å; I214-V236 HydrophobicContact CG2-CG2 4.27Å; I214-V236 WeakPolarHBondContact O-CG2 3.42Å; I214-W238 HydrophobicContact CD1-CD2 3.7Å; I214-W238 HydrophobicContact CD1-CE3 3.95Å; I214-W238 HydrophobicContact CD1-CG 4.27Å; I214-W238 HydrophobicContact CD1-CH2 3.98Å; I214-W238 HydrophobicContact CD1-CZ2 3.73Å; I214-W238 HydrophobicContact CD1-CZ3 4.08Å
215	D	98.7	Very high	96.8	Very high	44 Å²	44	37.1 Å²	37.1	24%	0.235	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-38.9	179.9	-67.4	-16.6	0	0	0	111.3	K211 Q218 Q219 A488	K211-D215 WeakPolarHBondContact CE-OD1 3.32Å; K211-D215 WeakPolarHBondContact CE-OD2 3.42Å; K211-D215 IonicContact NZ-OD1 3.24Å; K211-D215 PolarHBondContact NZ-OD1 3.19Å; K211-D215 IonicContact NZ-OD2 3.32Å; K211-D215 WeakPolarHBondContact O-CB 3.38Å; K211-D215 VanDerWaalsContact O-CG 3.28Å; K211-D215 PolarHBondContact O-N 2.88Å; D215-Q218 PolarHBondContact O-N 3.1Å; D215-Q219 WeakPolarHBondContact O-CB 3.19Å; D215-Q219 WeakPolarHBondContact O-CG 3.34Å; D215-Q219 PolarHBondContact O-N 3.48Å; D215-A488 HydrophobicContact CB-CB 3.78Å
216	A	98.8	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-44.4	174.2	0	0	0	0	0	112.2	A212 F213 I214 Q218 Q219 A220 I483 Q486 A488 F489	A212-A216 WeakPolarHBondContact O-CB 3.38Å; A212-A216 PolarHBondContact O-N 3.1Å; F213-A216 PolarHBondContact O-N 3.18Å; I214-A216 VanDerWaalsContact C-N 3.31Å; I214-A216 PolarHBondContact O-N 3.4Å; A216-Q218 VanDerWaalsContact C-N 3.27Å; A216-Q218 PolarHBondContact O-N 3.45Å; A216-Q219 PolarHBondContact O-N 3.15Å; A216-A220 PolarHBondContact O-N 2.93Å; A216-I483 HydrophobicContact CB-CG2 3.9Å; A216-I483 WeakPolarHBondContact CB-O 3.35Å; A216-Q486 HydrophobicContact CB-CB 3.89Å; A216-Q486 HydrophobicContact CB-CG 4.4Å; A216-Q486 WeakPolarHBondContact O-CG 3.48Å; A216-A488 HydrophobicContact CB-CB 4.12Å; A216-F489 HydrophobicContact CB-CD2 3.55Å; A216-F489 HydrophobicContact CB-CE2 3.52Å
217	G	98.6	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-40	175.4	0	0	0	0	0	112.4	F213 I214 A220 G221 Y222	F213-G217 PolarHBondContact O-N 3.31Å; I214-G217 PolarHBondContact O-N 3.05Å; G217-A220 PolarHBondContact O-N 2.6Å; G217-G221 PolarHBondContact O-N 3.22Å; G217-Y222 WeakPolarHBondContact O-CB 3.45Å; G217-Y222 WeakPolarHBondContact O-CD2 3.36Å; G217-Y222 PolarHBondContact O-N 2.8Å
218	Q	98.6	Very high	97.3	Very high	84 Å²	84	31.4 Å²	31.4	39%	0.393	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-40.4	174.3	-65.9	-175.5	-100.9	0	0	112.8	I214 D215 A216 A220 G221 Y222 F224 V236	I214-Q218 WeakPolarHBondContact O-CG 3.45Å; I214-Q218 PolarHBondContact O-N 3.11Å; D215-Q218 PolarHBondContact O-N 3.1Å; A216-Q218 VanDerWaalsContact C-N 3.27Å; A216-Q218 PolarHBondContact O-N 3.45Å; Q218-A220 VanDerWaalsContact C-N 3.28Å; Q218-A220 PolarHBondContact O-N 3.45Å; Q218-G221 WeakPolarHBondContact O-CA 3.37Å; Q218-G221 PolarHBondContact O-N 2.93Å; Q218-Y222 WeakPolarHBondContact CA-O 3.36Å; Q218-F224 HydrophobicContact CG-CB 4.27Å; Q218-V236 HydrophobicContact CG-CG2 4.13Å
219	Q	98.7	Very high	97.3	Very high	85 Å²	85	28.8 Å²	28.8	40%	0.397	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-33.2	175.2	-72.9	170.1	7.9	0	0	112.4	D215 A216 G221 Q486 S487	D215-Q219 WeakPolarHBondContact O-CB 3.19Å; D215-Q219 WeakPolarHBondContact O-CG 3.34Å; D215-Q219 PolarHBondContact O-N 3.48Å; A216-Q219 PolarHBondContact O-N 3.15Å; Q219-G221 PolarHBondContact O-N 3.08Å; Q219-Q486 HydrophobicContact CB-CB 3.94Å; Q219-Q486 HydrophobicContact CB-CG 4.02Å; Q219-S487 VanDerWaalsContact CD-OG 3.23Å; Q219-S487 PolarHBondContact NE2-OG 3.33Å; Q219-S487 VanDerWaalsContact OE1-N 3.09Å; Q219-S487 PolarHBondContact OE1-OG 2.88Å
220	A	98.3	Very high	97.2	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-3.9	171.7	0	0	0	0	0	113.4	A216 G217 Q218 Y222 E482 I483 Q486 R605	A216-A220 PolarHBondContact O-N 2.93Å; G217-A220 PolarHBondContact O-N 2.6Å; Q218-A220 VanDerWaalsContact C-N 3.28Å; Q218-A220 PolarHBondContact O-N 3.45Å; A220-Y222 HydrophobicContact CB-CD2 3.89Å; A220-Y222 HydrophobicContact CB-CE2 3.78Å; A220-E482 HydrophobicContact CB-CG 4.43Å; A220-I483 HydrophobicContact CB-CG1 4.2Å; A220-Q486 HydrophobicContact CB-CG 4.02Å; A220-R605 PolarHBondContact O-NE 3Å; A220-R605 PolarHBondContact O-NH2 3.15Å
221	G	97	Very high	97.2	Very high	39 Å²	39	34.5 Å²	34.5	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	6.2	175.8	0	0	0	0	0	115.1	G217 Q218 Q219	G217-G221 PolarHBondContact O-N 3.22Å; Q218-G221 WeakPolarHBondContact O-CA 3.37Å; Q218-G221 PolarHBondContact O-N 2.93Å; Q219-G221 PolarHBondContact O-N 3.08Å
222	Y	97.6	Very high	97.2	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-83.1	143.9	175.4	-55.8	-69.5	0	0	0	111.1	G217 Q218 A220 I398 L479 I483 R605	G217-Y222 WeakPolarHBondContact O-CB 3.45Å; G217-Y222 WeakPolarHBondContact O-CD2 3.36Å; G217-Y222 PolarHBondContact O-N 2.8Å; Q218-Y222 WeakPolarHBondContact CA-O 3.36Å; A220-Y222 HydrophobicContact CB-CD2 3.89Å; A220-Y222 HydrophobicContact CB-CE2 3.78Å; Y222-I398 HydrophobicContact CD1-CB 3.99Å; Y222-I398 HydrophobicContact CD1-CD1 4.41Å; Y222-I398 HydrophobicContact CD1-CG2 3.61Å; Y222-I398 HydrophobicContact CD2-CG2 4.43Å; Y222-I398 HydrophobicContact CE1-CB 4Å; Y222-I398 HydrophobicContact CE1-CD1 3.73Å; Y222-I398 HydrophobicContact CE1-CG1 4.38Å; Y222-I398 HydrophobicContact CE1-CG2 4.01Å; Y222-I398 HydrophobicContact CE2-CD1 4.24Å; Y222-I398 HydrophobicContact CG-CG2 3.85Å; Y222-L479 VanDerWaalsContact OH-CD2 3.26Å; Y222-L479 WeakPolarHBondContact OH-CD2 3.48Å; Y222-I483 HydrophobicContact CD2-CD1 4.32Å; Y222-I483 HydrophobicContact CD2-CG1 4.38Å; Y222-I483 HydrophobicContact CE2-CD1 4.08Å; Y222-I483 HydrophobicContact CE2-CG1 4.04Å; Y222-R605 HydrophobicContact CD1-CB 4.38Å; Y222-R605 HydrophobicContact CE1-CB 4.5Å; Y222-R605 PolarHBondContact OH-NH1 3.38Å
223	P	96.5	Very high	97.1	Very high	38 Å²	38	31.6 Å²	31.6	25%	0.247	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-67.2	158.6	179.7	28.3	-34.3	0	0	0	111.5	E234 G235 V236	P223-E234 HydrophobicContact CG-CG 4.42Å; P223-G235 CarbonylContact O-C 3.6Å; P223-G235 WeakPolarHBondContact O-CA 3.35Å; P223-V236 PolarHBondContact O-N 2.73Å
224	F	97.6	Very high	97.1	Very high	72 Å²	72	32 Å²	32	32%	0.316	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.8	165.3	174	-104.4	0	0	0	109.8	I214 Q218 D226 Q232 V236	I214-F224 HydrophobicContact CG2-CD2 3.7Å; I214-F224 HydrophobicContact CG2-CE2 3.94Å; Q218-F224 HydrophobicContact CG-CB 4.27Å; F224-D226 HydrophobicContact CE1-CB 3.89Å; F224-D226 HydrophobicContact CZ-CB 4.48Å; F224-Q232 PolarHBondContact O-NE2 2.92Å; F224-V236 CarbonylContact C-O 3.54Å; F224-V236 WeakPolarHBondContact CA-O 3.29Å; F224-V236 WeakPolarHBondContact CD2-O 3.21Å
225	T	96.2	Very high	97.1	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	167.4	174.8	0	0	0	0	111.1	D227 M228 Q232 V236	T225-D227 VanDerWaalsContact C-N 3.34Å; T225-D227 VanDerWaalsContact OG1-C 3.29Å; T225-D227 PolarHBondContact OG1-N 3.3Å; T225-D227 PolarHBondContact OG1-O 3.39Å; T225-M228 HydrophobicContact CG2-CE 4.04Å; T225-M228 HydrophobicContact CG2-CG 3.6Å; T225-Q232 WeakPolarHBondContact CB-O 3.45Å; T225-Q232 PolarHBondContact OG1-O 3.26Å; T225-V236 PolarHBondContact N-O 3.46Å
226	D	92.2	Very high	97.1	Very high	98 Å²	98	29.8 Å²	29.8	52%	0.524	16%	0.156	S	C	.	.	S	Bend	trans	-80.6	-16.5	172.7	-171.3	54	0	0	0	112.4	R202 F224	R202-D226 PolarHBondContact NH1-O 2.83Å; R202-D226 PolarHBondContact NH2-O 3.35Å; F224-D226 HydrophobicContact CE1-CB 3.89Å; F224-D226 HydrophobicContact CZ-CB 4.48Å
227	D	94.4	Very high	97	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.07	16%	0.156	C	C	.	.			trans	-155.1	97.9	178.8	-172.9	-2.2	0	0	0	110.4	R192 T225 N229 G230	R192-D227 WeakPolarHBondContact CD-OD2 3.3Å; R192-D227 IonicContact CZ-OD2 3.21Å; R192-D227 IonicContact NE-OD2 3.7Å; R192-D227 IonicContact NH1-OD2 2.86Å; R192-D227 PolarHBondContact NH1-OD2 3.1Å; T225-D227 VanDerWaalsContact C-N 3.34Å; T225-D227 VanDerWaalsContact OG1-C 3.29Å; T225-D227 PolarHBondContact OG1-N 3.3Å; T225-D227 PolarHBondContact OG1-O 3.39Å; D227-N229 PolarHBondContact O-N 2.93Å; D227-N229 WeakPolarHBondContact OD1-CA 3.37Å; D227-N229 WeakPolarHBondContact OD1-CB 3.47Å; D227-N229 PolarHBondContact OD1-N 3.16Å; D227-G230 VanDerWaalsContact CG-N 3.35Å; D227-G230 PolarHBondContact O-N 3.35Å; D227-G230 PolarHBondContact OD1-N 3.05Å
228	M	95.4	Very high	96.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16	176.6	-65.1	178.5	-171.3	0	0	113.2	I151 T225 Q233 G237 M239 G395 F397	I151-M228 HydrophobicContact CD1-CB 4.06Å; I151-M228 HydrophobicContact CD1-SD 4.34Å; T225-M228 HydrophobicContact CG2-CE 4.04Å; T225-M228 HydrophobicContact CG2-CG 3.6Å; M228-Q233 WeakPolarHBondContact O-CG 3.19Å; M228-G237 WeakPolarHBondContact CE-O 3.31Å; M228-M239 HydrophobicContact CE-CG 4.21Å; M228-M239 HydrophobicContact SD-CE 4.15Å; M228-M239 HydrophobicContact SD-CG 3.82Å; M228-G395 VanDerWaalsContact CE-C 3.46Å; M228-G395 WeakPolarHBondContact CE-O 3.5Å; M228-F397 HydrophobicContact CB-CE2 4.4Å; M228-F397 HydrophobicContact CG-CD2 4.38Å; M228-F397 HydrophobicContact SD-CD2 4.07Å; M228-F397 HydrophobicContact SD-CE2 4Å
229	N	97.3	Very high	96.7	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.032	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	1.1	178.7	-65.6	-55.4	0	0	0	113.1	Y150 I151 R152 D227 D240	Y150-N229 PolarHBondContact O-ND2 3.42Å; I151-N229 VanDerWaalsContact CA-OD1 3.27Å; I151-N229 WeakPolarHBondContact CA-OD1 3.46Å; R152-N229 HydrophobicContact CG-CB 4.16Å; R152-N229 WeakPolarHBondContact CG-OD1 3.01Å; R152-N229 PolarHBondContact N-OD1 2.96Å; R152-N229 PolarHBondContact NH1-O 2.79Å; D227-N229 PolarHBondContact O-N 2.93Å; D227-N229 WeakPolarHBondContact OD1-CA 3.37Å; D227-N229 WeakPolarHBondContact OD1-CB 3.47Å; D227-N229 PolarHBondContact OD1-N 3.16Å; N229-D240 PolarHBondContact ND2-OD2 3.47Å; N229-D240 VanDerWaalsContact ND2-OD2 3.15Å
230	G	96.3	Very high	96.6	Very high	11 Å²	11	24.7 Å²	24.7	11%	0.113	13%	0.129	C	C	.	.	S	Bend	trans	-105.6	-144.1	-174.4	0	0	0	0	0	113.1	D227 Q232	D227-G230 VanDerWaalsContact CG-N 3.35Å; D227-G230 PolarHBondContact O-N 3.35Å; D227-G230 PolarHBondContact OD1-N 3.05Å; G230-Q232 VanDerWaalsContact C-N 3.32Å; G230-Q232 PolarHBondContact O-N 3.19Å
231	Y	97.3	Very high	96.6	Very high	109 Å²	109	24.8 Å²	24.8	43%	0.427	13%	0.129	S	C	.	.	S	Bend	trans	-57.3	-40.9	-177.6	170.6	-111.4	0	0	0	113.4	P594 Y596	Y231-P594 HydrophobicContact CD2-CB 4.1Å; Y231-P594 HydrophobicContact CE2-CB 3.95Å; Y231-Y596 AromaticContact CE1-CD2 3.91Å; Y231-Y596 HydrophobicContact CE1-CD2 3.91Å; Y231-Y596 HydrophobicContact CE1-CG 4.42Å; Y231-Y596 WeakPolarHBondContact O-CB 3.35Å; Y231-Y596 PolarHBondContact O-N 2.76Å
232	Q	97.1	Very high	96.6	Very high	40 Å²	40	23 Å²	23	19%	0.187	11%	0.11	C	C	.	.			trans	-124.9	105.1	-173.3	179.3	-178.2	-26.6	0	0	110.9	F224 T225 G230 E234 Y596	F224-Q232 PolarHBondContact O-NE2 2.92Å; T225-Q232 WeakPolarHBondContact CB-O 3.45Å; T225-Q232 PolarHBondContact OG1-O 3.26Å; G230-Q232 VanDerWaalsContact C-N 3.32Å; G230-Q232 PolarHBondContact O-N 3.19Å; Q232-E234 WeakPolarHBondContact CG-O 3.31Å; Q232-E234 PolarHBondContact NE2-O 2.86Å; Q232-Y596 HydrophobicContact CB-CD2 4.23Å; Q232-Y596 HydrophobicContact CB-CG 3.93Å; Q232-Y596 HydrophobicContact CG-CD1 3.82Å; Q232-Y596 HydrophobicContact CG-CD2 3.94Å; Q232-Y596 HydrophobicContact CG-CE1 4.26Å; Q232-Y596 HydrophobicContact CG-CE2 4.38Å; Q232-Y596 HydrophobicContact CG-CG 3.63Å
233	Q	97.2	Very high	96.6	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.033	11%	0.112	C	C	.	.			trans	-79.3	-37.2	171.4	-172.6	177.2	31.8	0	0	112.2	H154 M228 G235 F397	H154-Q233 VanDerWaalsContact CA-OE1 3.3Å; H154-Q233 PolarHBondContact CD2-OE1 3.5Å; M228-Q233 WeakPolarHBondContact O-CG 3.19Å; Q233-G235 PolarHBondContact O-N 2.5Å; Q233-F397 HydrophobicContact CG-CB 3.96Å; Q233-F397 HydrophobicContact CG-CD1 4.35Å; Q233-F397 HydrophobicContact CG-CD2 3.69Å; Q233-F397 HydrophobicContact CG-CE2 4.26Å; Q233-F397 HydrophobicContact CG-CG 3.74Å
234	E	97.6	Very high	96.7	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.037	12%	0.115	C	C	.	.	S	Bend	trans	-64.5	126.7	-176.1	-171	171.4	173.5	0	0	111.6	P223 Q232 F397 R399 P407 Y596	P223-E234 HydrophobicContact CG-CG 4.42Å; Q232-E234 WeakPolarHBondContact CG-O 3.31Å; Q232-E234 PolarHBondContact NE2-O 2.86Å; E234-F397 CarbonylContact C-O 3.55Å; E234-F397 WeakPolarHBondContact CA-O 3.26Å; E234-R399 IonicContact OE1-CZ 3.5Å; E234-R399 IonicContact OE1-NE 3.04Å; E234-R399 PolarHBondContact OE1-NE 3.35Å; E234-R399 IonicContact OE1-NH2 3.28Å; E234-R399 IonicContact OE2-NE 2.88Å; E234-P407 HydrophobicContact CB-CB 4.49Å; E234-P407 HydrophobicContact CB-CG 4Å; E234-P407 HydrophobicContact CG-CB 4.39Å; E234-P407 HydrophobicContact CG-CG 4.42Å; E234-Y596 HydrophobicContact CB-CD1 4.32Å; E234-Y596 HydrophobicContact CB-CE1 4.17Å
235	G	97.5	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.9	179.7	-179.6	0	0	0	0	0	114.3	P223 Q233 G396 F397	P223-G235 CarbonylContact O-C 3.6Å; P223-G235 WeakPolarHBondContact O-CA 3.35Å; Q233-G235 PolarHBondContact O-N 2.5Å; G235-G396 CarbonylContact O-C 3.46Å; G235-G396 WeakPolarHBondContact O-CA 3.32Å; G235-F397 PolarHBondContact N-O 3.19Å; G235-F397 PolarHBondContact O-N 3.35Å
236	V	98.3	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148	169.7	-66.7	0	0	0	0	110.5	F213 I214 Q218 P223 F224 T225 G395	F213-V236 HydrophobicContact CE1-CB 4.48Å; F213-V236 HydrophobicContact CE1-CG1 4.21Å; F213-V236 HydrophobicContact CZ-CG1 4.39Å; I214-V236 HydrophobicContact CG2-CG2 4.27Å; I214-V236 WeakPolarHBondContact O-CG2 3.42Å; Q218-V236 HydrophobicContact CG-CG2 4.13Å; P223-V236 PolarHBondContact O-N 2.73Å; F224-V236 CarbonylContact C-O 3.54Å; F224-V236 WeakPolarHBondContact CA-O 3.29Å; F224-V236 WeakPolarHBondContact CD2-O 3.21Å; T225-V236 PolarHBondContact N-O 3.46Å; V236-G395 WeakPolarHBondContact CA-O 3.41Å
237	G	96.8	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-160.2	-178.4	0	0	0	0	0	113.9	M228 S394 G395	M228-G237 WeakPolarHBondContact CE-O 3.31Å; G237-S394 VanDerWaalsContact O-CA 3.29Å; G237-S394 WeakPolarHBondContact O-CA 3.29Å; G237-S394 WeakPolarHBondContact O-CB 3.38Å; G237-G395 PolarHBondContact N-O 3.05Å; G237-G395 PolarHBondContact O-N 2.79Å
238	W	95.3	Very high	97	Very high	61 Å²	61	24.4 Å²	24.4	23%	0.231	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.5	-179.7	-55.6	105.2	0	0	0	111.5	R202 T205 H210 I214 E393	R202-W238 VanDerWaalsContact CD-CB 3.48Å; R202-W238 HydrophobicContact CG-CB 4.47Å; T205-W238 HydrophobicContact CG2-CZ3 3.88Å; H210-W238 HydrophobicContact CB-CH2 4.34Å; H210-W238 HydrophobicContact CB-CZ3 3.89Å; I214-W238 HydrophobicContact CD1-CD2 3.7Å; I214-W238 HydrophobicContact CD1-CE3 3.95Å; I214-W238 HydrophobicContact CD1-CG 4.27Å; I214-W238 HydrophobicContact CD1-CH2 3.98Å; I214-W238 HydrophobicContact CD1-CZ2 3.73Å; I214-W238 HydrophobicContact CD1-CZ3 4.08Å; W238-E393 CarbonylContact C-O 3.5Å; W238-E393 WeakPolarHBondContact CA-O 3.36Å
239	M	95.8	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-97	145.7	177.1	-72.7	-175.7	161.5	0	0	111.6	V149 G203 M228 E393 F411	V149-M239 HydrophobicContact CG1-SD 4.17Å; G203-M239 PolarHBondContact N-O 3.26Å; M228-M239 HydrophobicContact CE-CG 4.21Å; M228-M239 HydrophobicContact SD-CE 4.15Å; M228-M239 HydrophobicContact SD-CG 3.82Å; M239-E393 PolarHBondContact N-O 2.56Å; M239-F411 WeakPolarHBondContact CE-O 3.37Å
240	D	97.2	Very high	97.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.5	169.2	-70.1	-18.1	0	0	0	110.4	Y150 H184 V200 S201 R202 N229	Y150-D240 HydrophobicContact CD1-CB 4.09Å; Y150-D240 PolarHBondContact N-O 3.15Å; H184-D240 IonicContact CD2-OD2 2.71Å; H184-D240 IonicContact CE1-OD1 3.43Å; H184-D240 IonicContact NE2-OD1 3.69Å; H184-D240 PolarHBondContact NE2-OD1 3.24Å; H184-D240 IonicContact NE2-OD2 3.46Å; H184-D240 PolarHBondContact NE2-OD2 3.45Å; V200-D240 HydrophobicContact CG1-CB 3.62Å; S201-D240 CarbonylContact O-C 3.6Å; S201-D240 WeakPolarHBondContact O-CA 3.4Å; R202-D240 IonicContact CZ-OD1 3.7Å; R202-D240 IonicContact NE-OD1 2.66Å; R202-D240 PolarHBondContact NE-OD1 3.4Å; R202-D240 IonicContact NH2-OD1 3.54Å; N229-D240 PolarHBondContact ND2-OD2 3.47Å; N229-D240 VanDerWaalsContact ND2-OD2 3.15Å
241	M	97.4	Very high	97.3	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.03	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.4	179.7	-66.6	-178	-75.4	0	0	111.8	M148 V200 S201 I243 A390 E393	M148-M241 CarbonylContact O-C 3.53Å; M148-M241 WeakPolarHBondContact O-CA 3.29Å; V200-M241 WeakPolarHBondContact CA-O 3.18Å; S201-M241 PolarHBondContact N-O 2.78Å; S201-M241 PolarHBondContact O-N 3.03Å; S201-M241 PolarHBondContact OG-O 2.91Å; M241-I243 HydrophobicContact CB-CD1 4.16Å; M241-I243 HydrophobicContact CB-CG1 4.13Å; M241-I243 HydrophobicContact CE-CD1 4.34Å; M241-I243 PolarHBondContact O-N 3.26Å; M241-I243 HydrophobicContact SD-CD1 3.8Å; M241-A390 HydrophobicContact SD-CB 3.97Å; M241-E393 HydrophobicContact CE-CG 3.97Å
242	T	98.1	Very high	97.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.09	C	C	.	.			trans	-81.9	67.6	168.4	59.3	0	0	0	0	110.5	M148 Y150 L198 V200 W249	M148-T242 PolarHBondContact O-N 2.99Å; M148-T242 PolarHBondContact O-OG1 2.94Å; Y150-T242 HydrophobicContact CD2-CG2 3.86Å; Y150-T242 HydrophobicContact CG-CG2 4.48Å; L198-T242 HydrophobicContact CD1-CG2 4.18Å; L198-T242 HydrophobicContact CD2-CG2 4.12Å; L198-T242 HydrophobicContact CG-CG2 4.22Å; V200-T242 HydrophobicContact CG2-CG2 4.37Å; T242-W249 WeakPolarHBondContact O-CB 3.37Å; T242-W249 PolarHBondContact O-N 2.84Å
243	I	97.8	Very high	97.5	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.067	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.9	176	-65.5	176.2	0	0	0	108.3	P102 M148 S201 M241 K247 A390	P102-I243 HydrophobicContact CB-CD1 3.76Å; P102-I243 HydrophobicContact CB-CG1 4.42Å; P102-I243 HydrophobicContact CG-CD1 3.85Å; P102-I243 HydrophobicContact CG-CG1 4.07Å; P102-I243 HydrophobicContact CG-CG2 4.2Å; M148-I243 HydrophobicContact CB-CG1 4.18Å; M148-I243 HydrophobicContact CG-CG1 4.37Å; M148-I243 HydrophobicContact SD-CD1 3.93Å; M148-I243 HydrophobicContact SD-CG1 3.69Å; S201-I243 PolarHBondContact OG-O 2.67Å; M241-I243 HydrophobicContact CB-CD1 4.16Å; M241-I243 HydrophobicContact CB-CG1 4.13Å; M241-I243 HydrophobicContact CE-CD1 4.34Å; M241-I243 PolarHBondContact O-N 3.26Å; M241-I243 HydrophobicContact SD-CD1 3.8Å; I243-K247 CarbonylContact C-O 3.57Å; I243-K247 WeakPolarHBondContact CA-O 3.41Å; I243-A390 HydrophobicContact CD1-CB 4.42Å
244	Y	97.5	Very high	97.5	Very high	77 Å²	77	18.1 Å²	18.1	30%	0.302	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.6	178.8	-177.4	-112.7	0	0	0	111	H199 G246 K247 W249	H199-Y244 HydrophobicContact CB-CD2 3.72Å; H199-Y244 HydrophobicContact CB-CG 3.79Å; H199-Y244 AromaticContact CD2-CD1 3.77Å; H199-Y244 AromaticContact CD2-CD2 3.78Å; H199-Y244 AromaticContact CD2-CE1 3.9Å; H199-Y244 AromaticContact CD2-CE2 3.91Å; H199-Y244 AromaticContact CD2-CG 3.7Å; H199-Y244 AromaticContact CD2-CZ 3.97Å; H199-Y244 AromaticContact CE1-CE2 3.86Å; H199-Y244 AromaticContact CG-CD2 3.51Å; H199-Y244 AromaticContact CG-CE2 3.85Å; H199-Y244 AromaticContact CG-CG 3.75Å; H199-Y244 AromaticContact ND1-CD2 3.87Å; H199-Y244 AromaticContact ND1-CE2 3.81Å; H199-Y244 AromaticContact NE2-CE1 3.98Å; H199-Y244 AromaticContact NE2-CE2 3.93Å; H199-Y244 AromaticContact NE2-CZ 3.76Å; Y244-G246 PolarHBondContact O-N 3.15Å; Y244-K247 PolarHBondContact N-O 2.73Å; Y244-K247 WeakPolarHBondContact O-CE 3.49Å; Y244-K247 PolarHBondContact O-N 3.33Å; Y244-K247 VanDerWaalsContact O-N 3.07Å; Y244-W249 HydrophobicContact CD1-CD2 4.22Å; Y244-W249 AromaticContact CD1-CE3 3.89Å; Y244-W249 HydrophobicContact CD1-CE3 3.89Å; Y244-W249 AromaticContact CD1-CH2 3.67Å; Y244-W249 HydrophobicContact CD1-CH2 3.67Å; Y244-W249 HydrophobicContact CD1-CZ2 4.04Å; Y244-W249 AromaticContact CD1-CZ3 3.61Å; Y244-W249 HydrophobicContact CD1-CZ3 3.61Å; Y244-W249 HydrophobicContact CE1-CH2 4.21Å; Y244-W249 HydrophobicContact CE1-CZ3 4.5Å; Y244-W249 HydrophobicContact CG-CD2 4.33Å; Y244-W249 HydrophobicContact CG-CE3 4.25Å; Y244-W249 HydrophobicContact CG-CZ3 4.42Å
245	Q	96	Very high	97.6	Very high	121 Å²	121	17.7 Å²	17.7	57%	0.565	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	47.4	-175.7	-60.2	177.1	-18.3	0	0	111.9	K247	Q245-K247 VanDerWaalsContact O-CE 3.29Å; Q245-K247 WeakPolarHBondContact O-CE 3.4Å; Q245-K247 PolarHBondContact O-N 3.41Å; Q245-K247 VanDerWaalsContact O-N 3.16Å
246	G	96.1	Very high	97.7	Very high	13 Å²	13	17.7 Å²	17.7	13%	0.134	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	13.1	178.9	0	0	0	0	0	116.3	P102 Y244 W379 F383	P102-G246 WeakPolarHBondContact CD-O 3.12Å; Y244-G246 PolarHBondContact O-N 3.15Å; G246-W379 PolarHBondContact O-NE1 2.9Å; G246-F383 WeakPolarHBondContact CA-O 3.46Å
247	K	97.7	Very high	97.6	Very high	33 Å²	33	20.2 Å²	20.2	14%	0.143	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.2	175.8	-63.1	157.2	-68.9	-173.3	0	109.8	H100 I243 Y244 Q245 W249 W379 F383	H100-K247 WeakPolarHBondContact O-CA 3.39Å; I243-K247 CarbonylContact C-O 3.57Å; I243-K247 WeakPolarHBondContact CA-O 3.41Å; Y244-K247 PolarHBondContact N-O 2.73Å; Y244-K247 WeakPolarHBondContact O-CE 3.49Å; Y244-K247 PolarHBondContact O-N 3.33Å; Y244-K247 VanDerWaalsContact O-N 3.07Å; Q245-K247 VanDerWaalsContact O-CE 3.29Å; Q245-K247 WeakPolarHBondContact O-CE 3.4Å; Q245-K247 PolarHBondContact O-N 3.41Å; Q245-K247 VanDerWaalsContact O-N 3.16Å; K247-W249 PolarHBondContact O-N 2.92Å; K247-W379 HydrophobicContact CG-CZ2 3.99Å; K247-F383 HydrophobicContact CD-CD1 4.31Å; K247-F383 HydrophobicContact CD-CD2 4.28Å; K247-F383 HydrophobicContact CD-CE1 4.3Å; K247-F383 HydrophobicContact CD-CE2 4.26Å; K247-F383 HydrophobicContact CD-CG 4.29Å; K247-F383 HydrophobicContact CD-CZ 4.26Å; K247-F383 HydrophobicContact CG-CD1 4.03Å; K247-F383 HydrophobicContact CG-CE1 4.31Å; K247-F383 HydrophobicContact CG-CG 4.23Å
248	R	98.1	Very high	97.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	134.1	163.7	173.7	-174.3	-63	-80.1	-3.6	110.3	I99 H100 S143 S144 N146 M148	I99-R248 WeakPolarHBondContact O-CD 3.42Å; I99-R248 PolarHBondContact O-NE 3.02Å; H100-R248 PolarHBondContact O-N 3.38Å; S143-R248 PolarHBondContact O-NH1 3.02Å; S144-R248 WeakPolarHBondContact O-CD 3.45Å; S144-R248 PolarHBondContact O-NE 2.55Å; N146-R248 PolarHBondContact O-NH1 2.86Å; N146-R248 PolarHBondContact O-NH2 3.42Å; N146-R248 PolarHBondContact OD1-NH1 3.24Å; M148-R248 HydrophobicContact CG-CG 4.08Å; M148-R248 HydrophobicContact SD-CB 3.87Å; M148-R248 HydrophobicContact SD-CG 4.07Å
249	W	98.3	Very high	97.8	Very high	36 Å²	36	21.3 Å²	21.3	14%	0.136	11%	0.105	C	C	.	.			trans	-111.8	75.4	177.6	-151.3	-108.8	0	0	0	112.3	P197 H199 T242 Y244 K247	P197-W249 PolarHBondContact O-NE1 2.92Å; H199-W249 HydrophobicContact CB-CG 4.15Å; H199-W249 AromaticContact CD2-CE2 3.63Å; H199-W249 AromaticContact CD2-CZ2 3.73Å; H199-W249 AromaticContact CD2-NE1 3.54Å; T242-W249 WeakPolarHBondContact O-CB 3.37Å; T242-W249 PolarHBondContact O-N 2.84Å; Y244-W249 HydrophobicContact CD1-CD2 4.22Å; Y244-W249 AromaticContact CD1-CE3 3.89Å; Y244-W249 HydrophobicContact CD1-CE3 3.89Å; Y244-W249 AromaticContact CD1-CH2 3.67Å; Y244-W249 HydrophobicContact CD1-CH2 3.67Å; Y244-W249 HydrophobicContact CD1-CZ2 4.04Å; Y244-W249 AromaticContact CD1-CZ3 3.61Å; Y244-W249 HydrophobicContact CD1-CZ3 3.61Å; Y244-W249 HydrophobicContact CE1-CH2 4.21Å; Y244-W249 HydrophobicContact CE1-CZ3 4.5Å; Y244-W249 HydrophobicContact CG-CD2 4.33Å; Y244-W249 HydrophobicContact CG-CE3 4.25Å; Y244-W249 HydrophobicContact CG-CZ3 4.42Å; K247-W249 PolarHBondContact O-N 2.92Å
250	S	98.6	Very high	97.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	12%	0.122	C	C	.	.			trans	-71.8	169.9	-179.9	63.3	0	0	0	0	113.7	S143 S144 A252 S253 A254	S143-S250 WeakPolarHBondContact O-CB 3.42Å; S143-S250 WeakPolarHBondContact OG-CB 3.48Å; S144-S250 WeakPolarHBondContact OG-CB 3.27Å; S250-A252 PolarHBondContact O-N 3.43Å; S250-S253 WeakPolarHBondContact O-CA 3.26Å; S250-S253 WeakPolarHBondContact O-CB 3.37Å; S250-S253 PolarHBondContact O-N 3.41Å; S250-S253 PolarHBondContact OG-N 3.41Å; S250-S253 PolarHBondContact OG-OG 3.27Å; S250-A254 PolarHBondContact O-N 2.9Å
251	S	98.7	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-29	172.3	-60.6	0	0	0	0	112.9	S61 S143 S253 Y255 L256 I572	S61-S251 WeakPolarHBondContact CA-OG 3.38Å; S61-S251 WeakPolarHBondContact O-CB 3.42Å; S61-S251 PolarHBondContact O-OG 2.83Å; S143-S251 PolarHBondContact OG-N 3.01Å; S251-S253 PolarHBondContact O-N 2.64Å; S251-Y255 WeakPolarHBondContact O-CB 3.09Å; S251-Y255 PolarHBondContact O-N 2.75Å; S251-L256 PolarHBondContact O-N 2.78Å; S251-I572 WeakPolarHBondContact OG-CD1 3.24Å
252	A	98.6	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-62.8	-35.7	170	0	0	0	0	0	111.4	W139 S250 L256 R257	W139-A252 HydrophobicContact CB-CB 4.1Å; S250-A252 PolarHBondContact O-N 3.43Å; A252-L256 HydrophobicContact CB-CB 4.47Å; A252-L256 PolarHBondContact O-N 2.8Å; A252-R257 WeakPolarHBondContact O-CG 3.44Å; A252-R257 PolarHBondContact O-N 2.86Å
253	S	98.5	Very high	97.9	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.028	21%	0.213	C	C	.	.	I	π-helix	trans	-71.4	-49.8	178.4	-55.5	0	0	0	0	113.2	S250 S251 R257 P258	S250-S253 WeakPolarHBondContact O-CA 3.26Å; S250-S253 WeakPolarHBondContact O-CB 3.37Å; S250-S253 PolarHBondContact O-N 3.41Å; S250-S253 PolarHBondContact OG-N 3.41Å; S250-S253 PolarHBondContact OG-OG 3.27Å; S251-S253 PolarHBondContact O-N 2.64Å; S253-R257 VanDerWaalsContact OG-CZ 3.24Å; S253-R257 PolarHBondContact OG-NH1 3.08Å; S253-R257 PolarHBondContact OG-NH2 3.03Å; S253-P258 WeakPolarHBondContact O-CD 3.39Å
254	A	98.6	Very high	98	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	22%	0.215	C	C	.	.	I	π-helix	trans	-73.1	-43.9	-176.3	0	0	0	0	0	112.5	P197 L198 S250 P258	P197-A254 HydrophobicContact CB-CB 4.34Å; P197-A254 WeakPolarHBondContact CB-O 3.23Å; P197-A254 VanDerWaalsContact O-CB 3.23Å; P197-A254 WeakPolarHBondContact O-CB 3.3Å; L198-A254 HydrophobicContact CB-CB 4.35Å; L198-A254 HydrophobicContact CD1-CB 3.98Å; S250-A254 PolarHBondContact O-N 2.9Å; A254-P258 WeakPolarHBondContact O-CG 3.47Å
255	Y	98.9	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-112.5	-52.3	-168.9	-66.6	-92	0	0	0	113.2	C64 V65 N68 A181 P197 L198 S251 P258 I572 E576	C64-Y255 WeakPolarHBondContact O-CB 3.41Å; V65-Y255 HydrophobicContact CB-CD1 4.22Å; V65-Y255 HydrophobicContact CB-CE1 4.33Å; V65-Y255 HydrophobicContact CB-CG 4.41Å; V65-Y255 HydrophobicContact CG1-CD1 4.24Å; V65-Y255 HydrophobicContact CG1-CE1 4Å; V65-Y255 HydrophobicContact CG2-CD1 3.99Å; V65-Y255 HydrophobicContact CG2-CD2 3.73Å; V65-Y255 HydrophobicContact CG2-CE1 3.93Å; V65-Y255 HydrophobicContact CG2-CE2 3.71Å; V65-Y255 HydrophobicContact CG2-CG 3.88Å; N68-Y255 HydrophobicContact CB-CD1 4.15Å; N68-Y255 PolarHBondContact ND2-O 3.28Å; A181-Y255 WeakPolarHBondContact CA-OH 3.28Å; A181-Y255 WeakPolarHBondContact CB-OH 3.35Å; P197-Y255 HydrophobicContact CB-CE1 4.32Å; P197-Y255 HydrophobicContact CG-CD1 3.81Å; P197-Y255 HydrophobicContact CG-CD2 4.42Å; P197-Y255 HydrophobicContact CG-CE1 3.21Å; P197-Y255 HydrophobicContact CG-CE2 3.9Å; P197-Y255 HydrophobicContact CG-CG 4.38Å; P197-Y255 WeakPolarHBondContact CG-OH 3.47Å; L198-Y255 HydrophobicContact CB-CE2 4.45Å; S251-Y255 WeakPolarHBondContact O-CB 3.09Å; S251-Y255 PolarHBondContact O-N 2.75Å; Y255-P258 WeakPolarHBondContact O-CD 3.45Å; Y255-I572 HydrophobicContact CE2-CG2 4.03Å; Y255-E576 VanDerWaalsContact CE1-OE1 3.23Å; Y255-E576 WeakPolarHBondContact CE1-OE1 3.26Å; Y255-E576 PolarHBondContact OH-OE1 2.86Å
256	L	98.7	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-68.6	-52.8	-170	-175.9	57.3	0	0	0	112.2	C64 A67 L80 W139 S251 A252 A259 L260 L265 T267	C64-L256 HydrophobicContact CB-CB 4.2Å; A67-L256 HydrophobicContact CB-CD1 4.42Å; L80-L256 HydrophobicContact CD2-CD1 3.6Å; L80-L256 HydrophobicContact CD2-CD2 4.07Å; L80-L256 HydrophobicContact CD2-CG 4.49Å; W139-L256 HydrophobicContact CB-CD2 4.34Å; W139-L256 HydrophobicContact CD2-CD2 3.68Å; W139-L256 HydrophobicContact CE3-CD2 3.95Å; W139-L256 HydrophobicContact CG-CD2 3.89Å; W139-L256 HydrophobicContact CZ3-CD2 4.45Å; S251-L256 PolarHBondContact O-N 2.78Å; A252-L256 HydrophobicContact CB-CB 4.47Å; A252-L256 PolarHBondContact O-N 2.8Å; L256-A259 WeakPolarHBondContact O-CA 3.4Å; L256-A259 PolarHBondContact O-N 3.38Å; L256-L260 HydrophobicContact CD1-CD2 4.19Å; L256-L260 HydrophobicContact CG-CD2 4.24Å; L256-L260 WeakPolarHBondContact O-CG 3.12Å; L256-L260 PolarHBondContact O-N 3.48Å; L256-L265 HydrophobicContact CD1-CD2 4.13Å; L256-T267 HydrophobicContact CD1-CG2 4.08Å
257	R	97.8	Very high	98.3	Very high	53 Å²	53	34.6 Å²	34.6	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-43.3	-175	-72.7	-167.2	-53	-107.1	6.1	113.5	D87 A252 S253 A259 L260	D87-R257 IonicContact OD2-CZ 2.67Å; D87-R257 IonicContact OD2-NH1 3.49Å; D87-R257 PolarHBondContact OD2-NH1 2.81Å; A252-R257 WeakPolarHBondContact O-CG 3.44Å; A252-R257 PolarHBondContact O-N 2.86Å; S253-R257 VanDerWaalsContact OG-CZ 3.24Å; S253-R257 PolarHBondContact OG-NH1 3.08Å; S253-R257 PolarHBondContact OG-NH2 3.03Å; R257-A259 PolarHBondContact O-N 2.69Å; R257-L260 HydrophobicContact CB-CD1 4.48Å; R257-L260 HydrophobicContact CG-CD1 4.2Å; R257-L260 PolarHBondContact O-N 2.77Å
258	P	97.6	Very high	98.3	Very high	83 Å²	83	35.1 Å²	35.1	54%	0.539	20%	0.202	S	C	.	.	H	α-helix	trans	-60	-27	173.3	-28.2	38	0	0	0	114.4	S253 A254 Y255	S253-P258 WeakPolarHBondContact O-CD 3.39Å; A254-P258 WeakPolarHBondContact O-CG 3.47Å; Y255-P258 WeakPolarHBondContact O-CD 3.45Å
259	A	98.3	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-87.5	-14.1	-179.8	0	0	0	0	0	114.2	N68 L256 R257 G261 R262 L265	N68-A259 HydrophobicContact CB-CB 4.19Å; L256-A259 WeakPolarHBondContact O-CA 3.4Å; L256-A259 PolarHBondContact O-N 3.38Å; R257-A259 PolarHBondContact O-N 2.69Å; A259-G261 PolarHBondContact O-N 2.87Å; A259-G261 VanDerWaalsContact O-N 3.08Å; A259-R262 WeakPolarHBondContact O-CB 3.39Å; A259-R262 WeakPolarHBondContact O-CG 3.33Å; A259-R262 PolarHBondContact O-N 3.26Å; A259-L265 HydrophobicContact CB-CD2 3.77Å
260	L	97.7	Very high	98.3	Very high	70 Å²	70	39.2 Å²	39.2	37%	0.366	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.7	-174.8	-69.7	177.1	0	0	0	114.5	W139 L256 R257 R262 T267	W139-L260 HydrophobicContact CH2-CD1 4.23Å; W139-L260 HydrophobicContact CH2-CD2 4.01Å; W139-L260 HydrophobicContact CZ3-CD1 3.94Å; W139-L260 HydrophobicContact CZ3-CD2 4.4Å; L256-L260 HydrophobicContact CD1-CD2 4.19Å; L256-L260 HydrophobicContact CG-CD2 4.24Å; L256-L260 WeakPolarHBondContact O-CG 3.12Å; L256-L260 PolarHBondContact O-N 3.48Å; R257-L260 HydrophobicContact CB-CD1 4.48Å; R257-L260 HydrophobicContact CG-CD1 4.2Å; R257-L260 PolarHBondContact O-N 2.77Å; L260-R262 VanDerWaalsContact C-N 3.3Å; L260-T267 HydrophobicContact CD2-CG2 3.75Å
261	G	97.1	Very high	98.2	Very high	76 Å²	76	39.2 Å²	39.2	78%	0.784	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.8	176.9	0	0	0	0	0	114.3	A259	A259-G261 PolarHBondContact O-N 2.87Å; A259-G261 VanDerWaalsContact O-N 3.08Å
262	R	98.6	Very high	98.2	Very high	69 Å²	69	40.8 Å²	40.8	26%	0.26	23%	0.232	S	C	.	.			trans	-81.1	130.8	-176.7	-58.6	176.6	-176.1	161.4	-3.9	110.3	N68 T71 A259 L260 N264 L265	N68-R262 PolarHBondContact O-NH1 2.73Å; T71-R262 PolarHBondContact OG1-NH1 3.35Å; A259-R262 WeakPolarHBondContact O-CB 3.39Å; A259-R262 WeakPolarHBondContact O-CG 3.33Å; A259-R262 PolarHBondContact O-N 3.26Å; L260-R262 VanDerWaalsContact C-N 3.3Å; R262-N264 VanDerWaalsContact CB-OD1 3.31Å; R262-N264 WeakPolarHBondContact CB-OD1 3.43Å; R262-N264 PolarHBondContact O-N 3.4Å; R262-L265 PolarHBondContact O-N 2.84Å
263	P	98.1	Very high	98.2	Very high	139 Å²	139	41.8 Å²	41.8	90%	0.903	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.4	-174.5	28.1	-35.8	0	0	0	113.7
264	N	98.5	Very high	98.2	Very high	22 Å²	22	42.2 Å²	42.2	12%	0.118	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.6	179.5	63.6	-32.2	0	0	0	113.8	T71 D73 E76 S77 V78 R262	T71-N264 PolarHBondContact O-ND2 3.39Å; T71-N264 VanDerWaalsContact O-ND2 3.09Å; D73-N264 PolarHBondContact O-ND2 3.43Å; E76-N264 VanDerWaalsContact O-CB 3.28Å; E76-N264 WeakPolarHBondContact O-CB 3.35Å; E76-N264 PolarHBondContact O-ND2 3.26Å; S77-N264 WeakPolarHBondContact CA-O 3.07Å; V78-N264 PolarHBondContact N-O 2.8Å; R262-N264 VanDerWaalsContact CB-OD1 3.31Å; R262-N264 WeakPolarHBondContact CB-OD1 3.43Å; R262-N264 PolarHBondContact O-N 3.4Å
265	L	98.8	Very high	98.2	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.099	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116	172	-177.7	56.9	0	0	0	111	A67 T71 V78 L256 A259 R262 T267	A67-L265 HydrophobicContact CB-CD1 4.04Å; T71-L265 HydrophobicContact CG2-CB 3.96Å; T71-L265 HydrophobicContact CG2-CD1 4.08Å; V78-L265 HydrophobicContact CB-CD1 4Å; V78-L265 HydrophobicContact CG1-CD1 4.04Å; L256-L265 HydrophobicContact CD1-CD2 4.13Å; A259-L265 HydrophobicContact CB-CD2 3.77Å; R262-L265 PolarHBondContact O-N 2.84Å; L265-T267 HydrophobicContact CD1-CG2 4.24Å; L265-T267 HydrophobicContact CD2-CG2 4.16Å; L265-T267 HydrophobicContact CG-CG2 3.95Å
266	K	98.6	Very high	98.2	Very high	87 Å²	87	46.3 Å²	46.3	38%	0.378	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.9	166.6	-177.3	68.9	171.7	158.1	0	109.6	Y52 V78 C79 L80 E268	Y52-K266 HydrophobicContact CE1-CB 3.62Å; Y52-K266 HydrophobicContact CE1-CG 4.32Å; Y52-K266 WeakPolarHBondContact OH-CG 3.43Å; V78-K266 PolarHBondContact O-N 3.43Å; C79-K266 CarbonylContact C-O 3.54Å; C79-K266 WeakPolarHBondContact CA-O 3.22Å; L80-K266 PolarHBondContact N-O 2.89Å; K266-E268 WeakPolarHBondContact CE-OE1 3.35Å; K266-E268 IonicContact NZ-OE1 2.85Å; K266-E268 PolarHBondContact NZ-OE1 3.4Å
267	T	98.5	Very high	98.2	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	174.4	65.6	0	0	0	0	110.7	L80 L256 L260 L265	L80-T267 HydrophobicContact CB-CG2 4.36Å; L80-T267 HydrophobicContact CD2-CG2 4.4Å; L80-T267 WeakPolarHBondContact O-CA 3.35Å; L256-T267 HydrophobicContact CD1-CG2 4.08Å; L260-T267 HydrophobicContact CD2-CG2 3.75Å; L265-T267 HydrophobicContact CD1-CG2 4.24Å; L265-T267 HydrophobicContact CD2-CG2 4.16Å; L265-T267 HydrophobicContact CG-CG2 3.95Å
268	E	98.1	Very high	98.2	Very high	43 Å²	43	47.3 Å²	47.3	20%	0.201	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.5	175.1	-68.3	-68.4	153.7	0	0	110.3	L80 L81 E82 K266 C271 Q290	L80-E268 PolarHBondContact O-N 3.3Å; L81-E268 HydrophobicContact CD2-CB 3.85Å; L81-E268 HydrophobicContact CD2-CG 4.33Å; E82-E268 PolarHBondContact N-O 2.82Å; K266-E268 WeakPolarHBondContact CE-OE1 3.35Å; K266-E268 IonicContact NZ-OE1 2.85Å; K266-E268 PolarHBondContact NZ-OE1 3.4Å; E268-C271 VanDerWaalsContact CB-SG 3.56Å; E268-Q290 PolarHBondContact OE2-NE2 3.37Å
269	V	98.1	Very high	98.2	Very high	26 Å²	26	48.8 Å²	48.8	16%	0.158	27%	0.268	C	S	.	.			trans	-126	165.1	-179.7	-70.7	0	0	0	0	110	E82 G84 K86 W139 C271 Q290	E82-V269 CarbonylContact O-C 3.6Å; E82-V269 WeakPolarHBondContact O-CA 3.45Å; G84-V269 WeakPolarHBondContact O-CB 3.42Å; K86-V269 HydrophobicContact CG-CG1 3.88Å; K86-V269 HydrophobicContact CG-CG2 4.5Å; W139-V269 HydrophobicContact CD2-CG1 4.49Å; W139-V269 HydrophobicContact CZ2-CG1 3.92Å; V269-C271 PolarHBondContact O-N 3.37Å; V269-C271 PolarHBondContact O-SG 3.38Å; V269-C271 VanDerWaalsContact O-SG 3.4Å; V269-Q290 PolarHBondContact O-NE2 3.01Å; V269-Q290 VanDerWaalsContact O-NE2 3.08Å
270	H	97.7	Very high	98.1	Very high	98 Å²	98	51.7 Å²	51.7	45%	0.454	30%	0.298	S	S	.	.	S	Bend	trans	56.6	34.5	-173.7	-56.2	-65.3	0	0	0	112.2	E82 A83 G84 Q290	E82-H270 PolarHBondContact O-N 2.7Å; A83-H270 WeakPolarHBondContact O-CA 3.39Å; G84-H270 PolarHBondContact O-N 3.01Å; H270-Q290 WeakPolarHBondContact O-CA 3.37Å
271	C	97.3	Very high	98.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	94	-178.7	-68.7	0	0	0	0	109.8	L81 E82 A83 E268 V269 T273 Y288 V289 Q290	L81-C271 HydrophobicContact CB-CB 4.24Å; E82-C271 CarbonylContact C-O 3.43Å; E82-C271 PolarHBondContact O-N 2.63Å; A83-C271 WeakPolarHBondContact CA-O 3.28Å; A83-C271 PolarHBondContact N-O 3.44Å; E268-C271 VanDerWaalsContact CB-SG 3.56Å; V269-C271 PolarHBondContact O-N 3.37Å; V269-C271 PolarHBondContact O-SG 3.38Å; V269-C271 VanDerWaalsContact O-SG 3.4Å; C271-T273 PolarHBondContact O-N 2.77Å; C271-Y288 HydrophobicContact CB-CD2 3.81Å; C271-Y288 HydrophobicContact CB-CE2 4.31Å; C271-Y288 HydrophobicContact CB-CG 4.47Å; C271-V289 WeakPolarHBondContact CA-O 3.33Å; C271-Q290 PolarHBondContact SG-NE2 3.28Å
272	M	98.1	Very high	98.2	Very high	33 Å²	33	52.1 Å²	52.1	16%	0.163	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.8	171.6	-174.7	67.2	76.2	0	0	109	A83 W116 T274 Y288 V289 M454	A83-M272 HydrophobicContact CB-CE 4.48Å; A83-M272 HydrophobicContact CB-SD 4.25Å; W116-M272 HydrophobicContact CH2-CE 3.55Å; W116-M272 HydrophobicContact CH2-SD 3.77Å; W116-M272 HydrophobicContact CZ3-CE 3.68Å; W116-M272 HydrophobicContact CZ3-SD 4.34Å; M272-T274 HydrophobicContact CG-CG2 4.41Å; M272-T274 PolarHBondContact O-N 2.8Å; M272-Y288 CarbonylContact O-C 3.57Å; M272-Y288 WeakPolarHBondContact O-CA 3.38Å; M272-Y288 WeakPolarHBondContact O-CB 3.49Å; M272-V289 PolarHBondContact N-O 2.75Å; M272-V289 PolarHBondContact O-N 2.99Å; M272-M454 HydrophobicContact CB-SD 4.42Å; M272-M454 HydrophobicContact CE-CE 3.84Å; M272-M454 HydrophobicContact CE-SD 4.12Å; M272-M454 HydrophobicContact CG-SD 3.76Å
273	T	98.7	Very high	98.2	Very high	21 Å²	21	48.9 Å²	48.9	13%	0.129	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.2	175.1	-57.3	0	0	0	0	109.3	V57 C271 V286 L315	V57-T273 HydrophobicContact CG1-CG2 3.93Å; V57-T273 HydrophobicContact CG2-CG2 4.21Å; C271-T273 PolarHBondContact O-N 2.77Å; T273-V286 HydrophobicContact CG2-CB 3.88Å; T273-V286 HydrophobicContact CG2-CG1 4.27Å; T273-V286 HydrophobicContact CG2-CG2 4.16Å; T273-L315 HydrophobicContact CG2-CD1 4.1Å; T273-L315 HydrophobicContact CG2-CD2 3.73Å
274	T	98.5	Very high	98.2	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-25.8	-170.6	52.9	0	0	0	0	113.3	M272 E287 V289 P453	M272-T274 HydrophobicContact CG-CG2 4.41Å; M272-T274 PolarHBondContact O-N 2.8Å; T274-E287 PolarHBondContact N-O 2.94Å; T274-E287 PolarHBondContact OG1-O 2.88Å; T274-V289 HydrophobicContact CG2-CG2 3.9Å; T274-P453 HydrophobicContact CG2-CB 3.81Å; T274-P453 HydrophobicContact CG2-CG 3.56Å
275	K	98	Very high	98.2	Very high	87 Å²	87	42.6 Å²	42.6	38%	0.378	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	146.1	-177.2	-156	177.7	-178.4	175.1	0	112.5	V286 E287	K275-V286 CarbonylContact O-C 3.49Å; K275-V286 WeakPolarHBondContact O-CA 3.47Å; K275-E287 HydrophobicContact CB-CB 4.4Å; K275-E287 PolarHBondContact N-O 3.16Å; K275-E287 PolarHBondContact O-N 2.8Å
276	I	98.9	Very high	98.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.8	165.3	-55.9	160.2	0	0	0	108.5	F278 A283 L305 L315 L316 S319 L551	I276-F278 HydrophobicContact CB-CE2 3.83Å; I276-F278 HydrophobicContact CB-CZ 4.14Å; I276-F278 HydrophobicContact CG2-CD2 4.29Å; I276-F278 HydrophobicContact CG2-CE1 4.21Å; I276-F278 HydrophobicContact CG2-CE2 3.74Å; I276-F278 HydrophobicContact CG2-CZ 3.68Å; I276-A283 HydrophobicContact CG2-CB 3.98Å; I276-L305 HydrophobicContact CD1-CD1 3.95Å; I276-L305 HydrophobicContact CD1-CD2 4.21Å; I276-L305 HydrophobicContact CG1-CD2 4.47Å; I276-L315 HydrophobicContact CD1-CG 4.29Å; I276-L315 HydrophobicContact CG1-CD2 4.38Å; I276-L315 HydrophobicContact CG1-CG 4.15Å; I276-L316 HydrophobicContact CD1-CD2 4.03Å; I276-S319 PolarHBondContact N-OG 2.76Å; I276-L551 HydrophobicContact CD1-CD1 4.03Å; I276-L551 HydrophobicContact CD1-CD2 4.1Å
277	L	98.8	Very high	98.2	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.9	178	-56.1	177	0	0	0	109.1	V284 G285 E287 R296 F298	L277-V284 HydrophobicContact CB-CG2 4.01Å; L277-V284 WeakPolarHBondContact O-CG2 3.44Å; L277-V284 PolarHBondContact O-N 2.8Å; L277-G285 PolarHBondContact N-O 2.85Å; L277-E287 HydrophobicContact CD2-CB 4.27Å; L277-R296 HydrophobicContact CD1-CB 4.3Å; L277-R296 HydrophobicContact CD1-CG 4.1Å; L277-F298 HydrophobicContact CD1-CE1 4.04Å
278	F	98.8	Very high	98.2	Very high	43 Å²	43	38.3 Å²	38.3	19%	0.189	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.1	-178.9	-68.7	-82.4	0	0	0	111.9	I276 R282 A283 V321 I335 L548 L551	I276-F278 HydrophobicContact CB-CE2 3.83Å; I276-F278 HydrophobicContact CB-CZ 4.14Å; I276-F278 HydrophobicContact CG2-CD2 4.29Å; I276-F278 HydrophobicContact CG2-CE1 4.21Å; I276-F278 HydrophobicContact CG2-CE2 3.74Å; I276-F278 HydrophobicContact CG2-CZ 3.68Å; F278-R282 CarbonylContact C-O 3.52Å; F278-R282 VanDerWaalsContact CA-O 3.29Å; F278-R282 WeakPolarHBondContact CA-O 3.23Å; F278-A283 HydrophobicContact CD1-CB 4.25Å; F278-A283 HydrophobicContact CE1-CB 3.96Å; F278-V321 HydrophobicContact CE2-CG2 4.24Å; F278-V321 HydrophobicContact CZ-CG2 3.89Å; F278-I335 HydrophobicContact CD1-CG2 4.19Å; F278-I335 HydrophobicContact CD2-CG1 4.09Å; F278-I335 HydrophobicContact CD2-CG2 4.15Å; F278-I335 HydrophobicContact CE1-CG2 4.36Å; F278-I335 HydrophobicContact CE2-CG1 4.41Å; F278-I335 HydrophobicContact CE2-CG2 4.29Å; F278-I335 HydrophobicContact CG-CG2 4.09Å; F278-I335 HydrophobicContact CZ-CG2 4.4Å; F278-L548 HydrophobicContact CE1-CD1 3.96Å; F278-L548 HydrophobicContact CE1-CD2 4.06Å; F278-L548 HydrophobicContact CZ-CD1 4.08Å; F278-L551 HydrophobicContact CE1-CD2 4.32Å; F278-L551 HydrophobicContact CZ-CD2 4.09Å
279	D	98	Very high	98.2	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	102.6	161.7	-179.1	16.5	0	0	0	107.4	N281 R282 V284	D279-N281 PolarHBondContact O-N 3.29Å; D279-R282 PolarHBondContact N-O 3.21Å; D279-R282 WeakPolarHBondContact O-CB 3.31Å; D279-R282 PolarHBondContact O-N 3.41Å; D279-V284 HydrophobicContact CB-CG1 3.81Å
280	G	96.4	Very high	98.2	Very high	61 Å²	61	37.7 Å²	37.7	63%	0.629	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-123.7	-165.9	0	0	0	0	0	112.2	R282	G280-R282 VanDerWaalsContact C-N 3.34Å
281	N	96.4	Very high	98	Very high	74 Å²	74	39.6 Å²	39.6	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.9	176.3	69.7	-22.5	0	0	0	113.3	D279 L548 E549	D279-N281 PolarHBondContact O-N 3.29Å; N281-L548 HydrophobicContact CB-CD2 4.28Å; N281-L548 WeakPolarHBondContact O-CA 3.26Å; N281-L548 WeakPolarHBondContact O-CD2 3.26Å; N281-E549 PolarHBondContact ND2-OE1 2.85Å; N281-E549 PolarHBondContact O-N 3.01Å
282	R	98.6	Very high	97.8	Very high	82 Å²	82	42.9 Å²	42.9	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.8	-172.9	-176.5	-179.8	161.2	-172.4	-4.5	111.5	F278 D279 G280 V284 E549 R550	F278-R282 CarbonylContact C-O 3.52Å; F278-R282 VanDerWaalsContact CA-O 3.29Å; F278-R282 WeakPolarHBondContact CA-O 3.23Å; D279-R282 PolarHBondContact N-O 3.21Å; D279-R282 WeakPolarHBondContact O-CB 3.31Å; D279-R282 PolarHBondContact O-N 3.41Å; G280-R282 VanDerWaalsContact C-N 3.34Å; R282-V284 HydrophobicContact CG-CG1 4.3Å; R282-V284 PolarHBondContact O-N 2.99Å; R282-E549 HydrophobicContact CB-CB 4.21Å; R282-E549 HydrophobicContact CG-CB 4.24Å; R282-R550 HydrophobicContact CG-CB 4.47Å; R282-R550 HydrophobicContact CG-CG 4.41Å
283	A	98.8	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.6	169.2	0	0	0	0	0	110.1	I276 F278 V303 E549 L551	I276-A283 HydrophobicContact CG2-CB 3.98Å; F278-A283 HydrophobicContact CD1-CB 4.25Å; F278-A283 HydrophobicContact CE1-CB 3.96Å; A283-V303 HydrophobicContact CB-CB 4.39Å; A283-V303 HydrophobicContact CB-CG2 4.3Å; A283-E549 PolarHBondContact N-O 3.41Å; A283-L551 HydrophobicContact CB-CB 3.91Å; A283-L551 HydrophobicContact CB-CD1 4.34Å
284	V	98.6	Very high	97.7	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-12	-176.5	-63.3	0	0	0	0	113.4	L277 D279 R282 F298 A299	L277-V284 HydrophobicContact CB-CG2 4.01Å; L277-V284 WeakPolarHBondContact O-CG2 3.44Å; L277-V284 PolarHBondContact O-N 2.8Å; D279-V284 HydrophobicContact CB-CG1 3.81Å; R282-V284 HydrophobicContact CG-CG1 4.3Å; R282-V284 PolarHBondContact O-N 2.99Å; V284-F298 HydrophobicContact CG2-CD1 4.39Å; V284-F298 HydrophobicContact CG2-CE1 4.43Å; V284-F298 CarbonylContact O-C 3.59Å; V284-F298 WeakPolarHBondContact O-CA 3.44Å; V284-F298 WeakPolarHBondContact O-CD1 3.29Å; V284-A299 PolarHBondContact O-N 3.22Å
285	G	98.7	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-166.7	-178.1	0	0	0	0	0	112.8	L277 V297	L277-G285 PolarHBondContact N-O 2.85Å; G285-V297 CarbonylContact C-O 3.47Å; G285-V297 WeakPolarHBondContact CA-O 3.49Å
286	V	98.8	Very high	97.7	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.7	177	-57.3	0	0	0	0	111.8	V55 V57 L81 T273 K275 R296 V297 V303	V55-V286 HydrophobicContact CG1-CG2 3.86Å; V57-V286 HydrophobicContact CG2-CG1 4Å; L81-V286 HydrophobicContact CD1-CG2 3.64Å; T273-V286 HydrophobicContact CG2-CB 3.88Å; T273-V286 HydrophobicContact CG2-CG1 4.27Å; T273-V286 HydrophobicContact CG2-CG2 4.16Å; K275-V286 CarbonylContact O-C 3.49Å; K275-V286 WeakPolarHBondContact O-CA 3.47Å; V286-R296 WeakPolarHBondContact O-CA 3.21Å; V286-V297 HydrophobicContact CG2-CG1 3.63Å; V286-V297 PolarHBondContact N-O 3.02Å; V286-V297 PolarHBondContact O-N 2.92Å; V286-V297 VanDerWaalsContact O-N 3.08Å; V286-V303 HydrophobicContact CG1-CG1 3.69Å; V286-V303 HydrophobicContact CG1-CG2 4.41Å
287	E	98.6	Very high	97.6	Very high	27 Å²	27	58 Å²	58	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.5	165.4	-173.7	174.2	100.7	0	0	109.4	T274 K275 L277 K295 R296	T274-E287 PolarHBondContact N-O 2.94Å; T274-E287 PolarHBondContact OG1-O 2.88Å; K275-E287 HydrophobicContact CB-CB 4.4Å; K275-E287 PolarHBondContact N-O 3.16Å; K275-E287 PolarHBondContact O-N 2.8Å; L277-E287 HydrophobicContact CD2-CB 4.27Å; E287-K295 WeakPolarHBondContact CA-O 3.29Å; E287-R296 HydrophobicContact CB-CG 4.32Å; E287-R296 HydrophobicContact CG-CG 4.3Å; E287-R296 IonicContact OE2-CZ 3.75Å; E287-R296 IonicContact OE2-NE 3.41Å; E287-R296 PolarHBondContact OE2-NE 2.95Å; E287-R296 IonicContact OE2-NH2 2.73Å; E287-R296 PolarHBondContact OE2-NH2 3.4Å
288	Y	98.6	Very high	97.6	Very high	19 Å²	19	59.6 Å²	59.6	8%	0.075	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.9	177.9	65.8	-84.9	0	0	0	111.6	L81 C271 M272 Q290 K295 V297	L81-Y288 HydrophobicContact CD1-CD1 3.89Å; L81-Y288 HydrophobicContact CD1-CE1 4.32Å; L81-Y288 HydrophobicContact CD1-CG 4.26Å; C271-Y288 HydrophobicContact CB-CD2 3.81Å; C271-Y288 HydrophobicContact CB-CE2 4.31Å; C271-Y288 HydrophobicContact CB-CG 4.47Å; M272-Y288 CarbonylContact O-C 3.57Å; M272-Y288 WeakPolarHBondContact O-CA 3.38Å; M272-Y288 WeakPolarHBondContact O-CB 3.49Å; Y288-Q290 HydrophobicContact CD2-CB 4.04Å; Y288-Q290 HydrophobicContact CE2-CB 3.91Å; Y288-K295 HydrophobicContact CD1-CB 4.34Å; Y288-K295 HydrophobicContact CD2-CB 4.28Å; Y288-K295 HydrophobicContact CE1-CB 3.81Å; Y288-K295 HydrophobicContact CE2-CB 3.77Å; Y288-K295 HydrophobicContact CE2-CD 4.01Å; Y288-K295 HydrophobicContact CE2-CG 4.4Å; Y288-K295 PolarHBondContact N-O 3.08Å; Y288-K295 PolarHBondContact O-N 3.24Å; Y288-V297 HydrophobicContact CD1-CG1 4.39Å; Y288-V297 HydrophobicContact CE1-CB 4.29Å; Y288-V297 HydrophobicContact CE1-CG1 4.05Å
289	V	98.3	Very high	97.6	Very high	39 Å²	39	57.8 Å²	57.8	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.4	172.2	176.7	0	0	0	0	109.1	C271 M272 T274 E293 K294	C271-V289 WeakPolarHBondContact CA-O 3.33Å; M272-V289 PolarHBondContact N-O 2.75Å; M272-V289 PolarHBondContact O-N 2.99Å; T274-V289 HydrophobicContact CG2-CG2 3.9Å; V289-E293 WeakPolarHBondContact CA-O 3.49Å; V289-K294 HydrophobicContact CG2-CG 4.01Å
290	Q	97.1	Very high	97.6	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.8	173.9	-173.1	-172.5	48.1	0	0	108.7	E268 V269 H270 C271 Y288 G292 E293	E268-Q290 PolarHBondContact OE2-NE2 3.37Å; V269-Q290 PolarHBondContact O-NE2 3.01Å; V269-Q290 VanDerWaalsContact O-NE2 3.08Å; H270-Q290 WeakPolarHBondContact O-CA 3.37Å; C271-Q290 PolarHBondContact SG-NE2 3.28Å; Y288-Q290 HydrophobicContact CD2-CB 4.04Å; Y288-Q290 HydrophobicContact CE2-CB 3.91Å; Q290-G292 PolarHBondContact O-N 3.32Å; Q290-E293 PolarHBondContact N-O 3.18Å; Q290-E293 PolarHBondContact O-N 2.86Å
291	N	93.8	Very high	97.7	Very high	137 Å²	137	57.8 Å²	57.8	73%	0.733	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	34.1	-177	-54.8	-30.3	0	0	0	113.9	E293	N291-E293 VanDerWaalsContact C-N 3.26Å; N291-E293 PolarHBondContact O-N 2.96Å
292	G	94.1	Very high	97.8	Very high	71 Å²	71	55.6 Å²	55.6	73%	0.732	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-5.8	-178.7	0	0	0	0	0	115	Q290	Q290-G292 PolarHBondContact O-N 3.32Å
293	E	96.6	Very high	97.9	Very high	121 Å²	121	51.7 Å²	51.7	57%	0.565	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.1	179.1	-63.9	179.2	167.9	0	0	111.3	V289 Q290 N291 K295	V289-E293 WeakPolarHBondContact CA-O 3.49Å; Q290-E293 PolarHBondContact N-O 3.18Å; Q290-E293 PolarHBondContact O-N 2.86Å; N291-E293 VanDerWaalsContact C-N 3.26Å; N291-E293 PolarHBondContact O-N 2.96Å; E293-K295 WeakPolarHBondContact OE2-CE 3.13Å
294	K	97.1	Very high	97.9	Very high	154 Å²	154	51.7 Å²	51.7	67%	0.67	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	127	169.5	-71	-174.7	179.8	-169.7	0	109.9	V289	V289-K294 HydrophobicContact CG2-CG 4.01Å
295	K	97.7	Very high	97.9	Very high	64 Å²	64	50.3 Å²	50.3	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.5	179.4	-62.7	-176.1	-174.5	179.2	0	109.9	E287 Y288 E293	E287-K295 WeakPolarHBondContact CA-O 3.29Å; Y288-K295 HydrophobicContact CD1-CB 4.34Å; Y288-K295 HydrophobicContact CD2-CB 4.28Å; Y288-K295 HydrophobicContact CE1-CB 3.81Å; Y288-K295 HydrophobicContact CE2-CB 3.77Å; Y288-K295 HydrophobicContact CE2-CD 4.01Å; Y288-K295 HydrophobicContact CE2-CG 4.4Å; Y288-K295 PolarHBondContact N-O 3.08Å; Y288-K295 PolarHBondContact O-N 3.24Å; E293-K295 WeakPolarHBondContact OE2-CE 3.13Å
296	R	98.4	Very high	97.9	Very high	134 Å²	134	50.5 Å²	50.5	51%	0.506	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.6	178	-64.6	178.7	-179.4	169.6	0	109.9	T49 L277 V286 E287	T49-R296 HydrophobicContact CG2-CB 4.21Å; T49-R296 VanDerWaalsContact CG2-O 3.29Å; T49-R296 WeakPolarHBondContact CG2-O 3.37Å; L277-R296 HydrophobicContact CD1-CB 4.3Å; L277-R296 HydrophobicContact CD1-CG 4.1Å; V286-R296 WeakPolarHBondContact O-CA 3.21Å; E287-R296 HydrophobicContact CB-CG 4.32Å; E287-R296 HydrophobicContact CG-CG 4.3Å; E287-R296 IonicContact OE2-CZ 3.75Å; E287-R296 IonicContact OE2-NE 3.41Å; E287-R296 PolarHBondContact OE2-NE 2.95Å; E287-R296 IonicContact OE2-NH2 2.73Å; E287-R296 PolarHBondContact OE2-NH2 3.4Å
297	V	98.5	Very high	97.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.7	170.2	62.7	0	0	0	0	108.7	P50 Y52 V55 C79 L81 G285 V286 Y288	P50-V297 HydrophobicContact CG-CG2 4.47Å; Y52-V297 HydrophobicContact CD2-CG2 3.61Å; Y52-V297 HydrophobicContact CE2-CG2 3.7Å; V55-V297 HydrophobicContact CG1-CG1 3.94Å; V55-V297 HydrophobicContact CG2-CG1 4.08Å; V55-V297 HydrophobicContact CG2-CG2 4.06Å; C79-V297 HydrophobicContact CB-CG2 4.37Å; L81-V297 HydrophobicContact CD1-CG1 4.03Å; G285-V297 CarbonylContact C-O 3.47Å; G285-V297 WeakPolarHBondContact CA-O 3.49Å; V286-V297 HydrophobicContact CG2-CG1 3.63Å; V286-V297 PolarHBondContact N-O 3.02Å; V286-V297 PolarHBondContact O-N 2.92Å; V286-V297 VanDerWaalsContact O-N 3.08Å; Y288-V297 HydrophobicContact CD1-CG1 4.39Å; Y288-V297 HydrophobicContact CE1-CB 4.29Å; Y288-V297 HydrophobicContact CE1-CG1 4.05Å
298	F	98.6	Very high	97.9	Very high	64 Å²	64	51.4 Å²	51.4	28%	0.281	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.7	-177.4	-65.3	-76.1	0	0	0	111.9	T49 P50 S51 Y52 V55 L277 V284	T49-F298 HydrophobicContact CG2-CD2 3.58Å; T49-F298 HydrophobicContact CG2-CE2 3.43Å; T49-F298 VanDerWaalsContact CG2-CE2 3.43Å; P50-F298 PolarHBondContact O-N 2.93Å; S51-F298 WeakPolarHBondContact CA-O 3.49Å; S51-F298 PolarHBondContact OG-O 3.46Å; Y52-F298 PolarHBondContact N-O 2.79Å; Y52-F298 VanDerWaalsContact N-O 3.15Å; V55-F298 WeakPolarHBondContact CG2-O 3.46Å; L277-F298 HydrophobicContact CD1-CE1 4.04Å; V284-F298 HydrophobicContact CG2-CD1 4.39Å; V284-F298 HydrophobicContact CG2-CE1 4.43Å; V284-F298 CarbonylContact O-C 3.59Å; V284-F298 WeakPolarHBondContact O-CA 3.44Å; V284-F298 WeakPolarHBondContact O-CD1 3.29Å
299	A	98.5	Very high	97.9	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119	177.2	0	0	0	0	0	110.4	Y52 V55 V284 K301 E302 V303	Y52-A299 CarbonylContact O-C 3.58Å; Y52-A299 VanDerWaalsContact O-CA 3.28Å; Y52-A299 WeakPolarHBondContact O-CA 3.29Å; V55-A299 HydrophobicContact CB-CB 4.3Å; V55-A299 HydrophobicContact CG2-CB 3.91Å; V284-A299 PolarHBondContact O-N 3.22Å; A299-K301 VanDerWaalsContact C-N 3.32Å; A299-E302 WeakPolarHBondContact CB-O 3.39Å; A299-V303 HydrophobicContact CB-CG2 3.88Å
300	D	98.2	Very high	97.9	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-23.4	178.9	-64.4	-31.4	0	0	0	112.2	S51 Y52 R550	S51-D300 PolarHBondContact OG-OD1 2.87Å; S51-D300 PolarHBondContact OG-OD2 3.38Å; Y52-D300 PolarHBondContact O-N 3.34Å; D300-R550 PolarHBondContact O-NH1 3.32Å
301	K	98.4	Very high	98	Very high	80 Å²	80	49.9 Å²	49.9	35%	0.348	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-72.2	173.5	-58.3	-174.2	175.3	-179.4	0	111.4	S53 Y54 E76 A299 R550	S53-K301 WeakPolarHBondContact O-CA 3.36Å; S53-K301 WeakPolarHBondContact O-CB 3.37Å; S53-K301 PolarHBondContact O-N 3.12Å; Y54-K301 HydrophobicContact CD1-CB 4.39Å; Y54-K301 HydrophobicContact CE1-CB 4Å; Y54-K301 HydrophobicContact CE1-CD 4.38Å; Y54-K301 HydrophobicContact CE2-CD 4.47Å; E76-K301 IonicContact OE1-NZ 3.44Å; E76-K301 PolarHBondContact OE1-NZ 3.18Å; E76-K301 WeakPolarHBondContact OE2-CE 3.18Å; E76-K301 IonicContact OE2-NZ 2.57Å; E76-K301 PolarHBondContact OE2-NZ 3.39Å; A299-K301 VanDerWaalsContact C-N 3.32Å; K301-R550 VanDerWaalsContact O-CB 3.23Å; K301-R550 WeakPolarHBondContact O-CB 3.4Å; K301-R550 WeakPolarHBondContact O-CD 3.5Å; K301-R550 WeakPolarHBondContact O-CG 3.35Å; K301-R550 PolarHBondContact O-NH1 2.89Å
302	E	98.6	Very high	98.2	Very high	28 Å²	28	43.5 Å²	43.5	13%	0.131	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.9	-171.4	-52.5	-170.9	-154.7	0	0	114.3	S53 Y54 V55 A299 R550 R552	S53-E302 PolarHBondContact O-N 3.2Å; Y54-E302 WeakPolarHBondContact CA-O 3.41Å; Y54-E302 HydrophobicContact CD1-CB 4.08Å; Y54-E302 HydrophobicContact CE1-CB 4.36Å; Y54-E302 HydrophobicContact CE1-CG 4.38Å; V55-E302 PolarHBondContact N-O 2.92Å; V55-E302 VanDerWaalsContact N-O 3.15Å; A299-E302 WeakPolarHBondContact CB-O 3.39Å; E302-R550 WeakPolarHBondContact CA-O 3.42Å; E302-R550 HydrophobicContact CG-CB 4.38Å; E302-R552 IonicContact OE1-CZ 3Å; E302-R552 IonicContact OE1-NE 2.72Å; E302-R552 PolarHBondContact OE1-NE 2.82Å; E302-R552 IonicContact OE1-NH2 3.51Å; E302-R552 PolarHBondContact OE1-NH2 3.22Å; E302-R552 WeakPolarHBondContact OE2-CD 3.29Å; E302-R552 WeakPolarHBondContact OE2-CG 3.17Å; E302-R552 IonicContact OE2-CZ 3.49Å; E302-R552 IonicContact OE2-NE 3.02Å; E302-R552 PolarHBondContact OE2-NE 3.13Å; E302-R552 IonicContact OE2-NH2 3.61Å
303	V	98.9	Very high	98.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.2	163.5	177.9	0	0	0	0	108.5	V55 A283 V286 A299 L305 R550 L551 R552	V55-V303 WeakPolarHBondContact O-CA 3.42Å; A283-V303 HydrophobicContact CB-CB 4.39Å; A283-V303 HydrophobicContact CB-CG2 4.3Å; V286-V303 HydrophobicContact CG1-CG1 3.69Å; V286-V303 HydrophobicContact CG1-CG2 4.41Å; A299-V303 HydrophobicContact CB-CG2 3.88Å; V303-L305 HydrophobicContact CG1-CD2 4.08Å; V303-R550 PolarHBondContact N-O 2.91Å; V303-L551 HydrophobicContact CB-CD1 4Å; V303-L551 HydrophobicContact CG1-CD1 3.97Å; V303-L551 WeakPolarHBondContact O-CA 3.5Å; V303-R552 PolarHBondContact O-N 3.09Å
304	I	98.9	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.7	-177.9	-52.4	164.5	0	0	0	109.5	Y54 V55 V56 V57 L66 L70 R552 V554 I582	Y54-I304 HydrophobicContact CD1-CD1 4.06Å; V55-I304 PolarHBondContact O-N 3.15Å; V56-I304 CarbonylContact C-O 3.58Å; V56-I304 WeakPolarHBondContact CA-O 3.35Å; V56-I304 HydrophobicContact CG2-CB 4.42Å; V56-I304 HydrophobicContact CG2-CD1 4.34Å; V57-I304 PolarHBondContact N-O 2.67Å; L66-I304 HydrophobicContact CD1-CG2 3.69Å; L70-I304 HydrophobicContact CD1-CD1 3.79Å; I304-R552 HydrophobicContact CG1-CB 4.42Å; I304-R552 HydrophobicContact CG2-CB 4.26Å; I304-V554 HydrophobicContact CG2-CB 4.22Å; I304-V554 HydrophobicContact CG2-CG2 3.91Å; I304-I582 HydrophobicContact CD1-CD1 3.83Å
305	L	98.9	Very high	98.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.3	177.6	-49.5	-171.3	0	0	0	110.5	V57 I276 V303 L315 L316 L551 R552 V553 V554	V57-L305 HydrophobicContact CB-CD2 4.05Å; V57-L305 HydrophobicContact CG2-CD2 4.01Å; I276-L305 HydrophobicContact CD1-CD1 3.95Å; I276-L305 HydrophobicContact CD1-CD2 4.21Å; I276-L305 HydrophobicContact CG1-CD2 4.47Å; V303-L305 HydrophobicContact CG1-CD2 4.08Å; L305-L315 HydrophobicContact CD1-CD2 4.47Å; L305-L315 HydrophobicContact CD2-CD2 3.79Å; L305-L316 HydrophobicContact CD1-CD2 3.68Å; L305-L316 HydrophobicContact CD1-CG 3.77Å; L305-L551 HydrophobicContact CD2-CD1 4.38Å; L305-L551 HydrophobicContact CG-CD1 4.19Å; L305-R552 PolarHBondContact N-O 3.22Å; L305-V553 HydrophobicContact CB-CG1 4.4Å; L305-V553 HydrophobicContact CB-CG2 4.28Å; L305-V553 HydrophobicContact CD1-CG2 4.23Å; L305-V553 HydrophobicContact CG-CG2 4.49Å; L305-V553 CarbonylContact O-C 3.45Å; L305-V553 WeakPolarHBondContact O-CA 3.42Å; L305-V554 PolarHBondContact O-N 3.33Å
306	S	98.9	Very high	98.7	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.035	13%	0.129	C	C	.	.			trans	-137.3	35.9	176.3	-65.5	0	0	0	0	111.1	V57 L66 G308 V554 D555	V57-S306 CarbonylContact O-C 3.52Å; V57-S306 VanDerWaalsContact O-C 3.26Å; V57-S306 WeakPolarHBondContact O-CA 3.36Å; V57-S306 PolarHBondContact O-N 3.27Å; L66-S306 WeakPolarHBondContact CD1-OG 3.37Å; S306-G308 PolarHBondContact O-N 3.35Å; S306-V554 WeakPolarHBondContact CB-O 3.31Å; S306-V554 PolarHBondContact OG-O 3.14Å; S306-D555 WeakPolarHBondContact CA-OD2 3.41Å
307	G	98.5	Very high	98.7	Very high	27 Å²	27	19 Å²	19	28%	0.278	11%	0.107	S	C	.	.	S	Bend	trans	-76.3	-7.4	179.3	0	0	0	0	0	114.3	V57 N311 S312 D555	V57-G307 PolarHBondContact O-N 3.48Å; G307-N311 WeakPolarHBondContact O-CB 3.5Å; G307-S312 WeakPolarHBondContact CA-OG 3.33Å; G307-S312 PolarHBondContact N-OG 2.65Å; G307-D555 PolarHBondContact N-OD2 3.33Å
308	G	98.5	Very high	98.7	Very high	19 Å²	19	19.8 Å²	19.8	20%	0.196	11%	0.11	C	C	.	.	H	α-helix	trans	83.1	-179.1	-176.1	0	0	0	0	0	113	S306 I310 N311 S312 D555	S306-G308 PolarHBondContact O-N 3.35Å; G308-I310 PolarHBondContact O-N 2.95Å; G308-N311 PolarHBondContact O-N 3.48Å; G308-S312 PolarHBondContact N-OG 2.84Å; G308-S312 WeakPolarHBondContact O-CB 3.36Å; G308-S312 PolarHBondContact O-N 3.39Å; G308-S312 VanDerWaalsContact O-N 3.13Å; G308-D555 WeakPolarHBondContact CA-OD1 3.48Å; G308-D555 WeakPolarHBondContact CA-OD2 3.23Å; G308-D555 VanDerWaalsContact N-CG 3.26Å; G308-D555 PolarHBondContact N-OD2 3.34Å
309	A	98.4	Very high	98.7	Very high	6 Å²	6	16.9 Å²	16.9	5%	0.05	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-3.8	-175.2	0	0	0	0	0	116.7	P523 T526	A309-P523 VanDerWaalsContact CB-C 3.42Å; A309-P523 HydrophobicContact CB-CB 4.23Å; A309-P523 WeakPolarHBondContact CB-O 3.48Å; A309-T526 VanDerWaalsContact C-OG1 3.27Å; A309-T526 VanDerWaalsContact CA-OG1 3.32Å; A309-T526 WeakPolarHBondContact CA-OG1 3.43Å; A309-T526 WeakPolarHBondContact O-CB 3.49Å; A309-T526 WeakPolarHBondContact O-CG2 3.35Å; A309-T526 PolarHBondContact O-OG1 2.96Å
310	I	98.8	Very high	98.8	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-117.6	-53	179.8	-59.1	178.3	0	0	0	110.3	Y118 W133 R135 G308 P313 Q314 M446 P457 L459 P523	Y118-I310 HydrophobicContact CD2-CD1 3.67Å; Y118-I310 HydrophobicContact CD2-CG2 4.47Å; Y118-I310 HydrophobicContact CE1-CG2 4.13Å; Y118-I310 HydrophobicContact CE2-CB 4.41Å; Y118-I310 HydrophobicContact CE2-CD1 3.95Å; Y118-I310 HydrophobicContact CE2-CG2 4.02Å; Y118-I310 HydrophobicContact CG-CD1 4.27Å; W133-I310 HydrophobicContact CE3-CD1 3.85Å; W133-I310 HydrophobicContact CZ3-CD1 4.17Å; R135-I310 HydrophobicContact CG-CD1 4.08Å; G308-I310 PolarHBondContact O-N 2.95Å; I310-P313 WeakPolarHBondContact O-CD 3.2Å; I310-P313 WeakPolarHBondContact O-CG 3.21Å; I310-Q314 VanDerWaalsContact O-CB 3.29Å; I310-Q314 WeakPolarHBondContact O-CB 3.23Å; I310-Q314 PolarHBondContact O-N 3.42Å; I310-M446 HydrophobicContact CG2-SD 4.37Å; I310-P457 HydrophobicContact CG2-CG 3.57Å; I310-L459 HydrophobicContact CD1-CD1 4.27Å; I310-L459 HydrophobicContact CD1-CD2 4.35Å; I310-L459 HydrophobicContact CG1-CD2 4.31Å; I310-L459 HydrophobicContact CG2-CD2 4.22Å; I310-P523 HydrophobicContact CD1-CG 4.48Å
311	N	98.8	Very high	98.8	Very high	31 Å²	31	12.2 Å²	12.2	17%	0.166	7%	0.072	C	C	.	.	H	α-helix	trans	-81.2	-28.9	-172.2	-64.7	-40.5	0	0	0	113.7	Y118 G307 G308 L315	Y118-N311 VanDerWaalsContact OH-CG 3.29Å; Y118-N311 PolarHBondContact OH-ND2 3.23Å; Y118-N311 VanDerWaalsContact OH-ND2 3.1Å; Y118-N311 PolarHBondContact OH-OD1 3.42Å; G307-N311 WeakPolarHBondContact O-CB 3.5Å; G308-N311 PolarHBondContact O-N 3.48Å; N311-L315 VanDerWaalsContact O-CB 3.31Å; N311-L315 WeakPolarHBondContact O-CB 3.45Å; N311-L315 PolarHBondContact O-N 3.16Å
312	S	98.9	Very high	98.8	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-63.9	-54.2	174.5	-68	0	0	0	0	112.4	G307 G308 Q314 L315 L316 D555	G307-S312 WeakPolarHBondContact CA-OG 3.33Å; G307-S312 PolarHBondContact N-OG 2.65Å; G308-S312 PolarHBondContact N-OG 2.84Å; G308-S312 WeakPolarHBondContact O-CB 3.36Å; G308-S312 PolarHBondContact O-N 3.39Å; G308-S312 VanDerWaalsContact O-N 3.13Å; S312-Q314 VanDerWaalsContact C-N 3.31Å; S312-Q314 PolarHBondContact O-N 3.26Å; S312-L315 PolarHBondContact O-N 3.43Å; S312-L316 WeakPolarHBondContact O-CG 3.47Å; S312-L316 PolarHBondContact O-N 2.73Å; S312-D555 WeakPolarHBondContact CB-OD2 3.44Å; S312-D555 PolarHBondContact OG-OD2 3.47Å
313	P	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-35.7	174.9	25.7	-36.5	0	0	0	112.5	I310 L315 L316 M317 V341 M446	I310-P313 WeakPolarHBondContact O-CD 3.2Å; I310-P313 WeakPolarHBondContact O-CG 3.21Å; P313-L315 PolarHBondContact O-N 2.76Å; P313-L316 PolarHBondContact O-N 3.09Å; P313-M317 WeakPolarHBondContact O-CE 3.38Å; P313-M317 WeakPolarHBondContact O-CG 3.31Å; P313-M317 PolarHBondContact O-N 2.71Å; P313-V341 HydrophobicContact CB-CG1 3.81Å; P313-M446 HydrophobicContact CB-SD 4.19Å; P313-M446 HydrophobicContact CG-CE 4.21Å; P313-M446 HydrophobicContact CG-CG 4.4Å; P313-M446 HydrophobicContact CG-SD 3.46Å; P313-M446 WeakPolarHBondContact CG-SD 3.45Å
314	Q	98.9	Very high	98.8	Very high	14 Å²	14	9.3 Å²	9.3	7%	0.065	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-48.3	174.5	-179.5	172.1	14.6	0	0	111.6	I310 S312 M317 L318 M446 L448 D455	I310-Q314 VanDerWaalsContact O-CB 3.29Å; I310-Q314 WeakPolarHBondContact O-CB 3.23Å; I310-Q314 PolarHBondContact O-N 3.42Å; S312-Q314 VanDerWaalsContact C-N 3.31Å; S312-Q314 PolarHBondContact O-N 3.26Å; Q314-M317 PolarHBondContact O-N 3.29Å; Q314-L318 HydrophobicContact CG-CD1 3.74Å; Q314-L318 HydrophobicContact CG-CG 4.36Å; Q314-L318 WeakPolarHBondContact O-CB 3.07Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 2.78Å; Q314-M446 HydrophobicContact CB-CE 4.01Å; Q314-L448 HydrophobicContact CB-CD2 4.46Å; Q314-L448 HydrophobicContact CG-CD2 3.71Å; Q314-D455 PolarHBondContact NE2-O 3.41Å
315	L	98.9	Very high	98.8	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-38.1	-179.9	179.9	59.4	0	0	0	112	V57 T273 I276 L305 N311 S312 P313 S319	V57-L315 HydrophobicContact CG1-CD2 3.88Å; T273-L315 HydrophobicContact CG2-CD1 4.1Å; T273-L315 HydrophobicContact CG2-CD2 3.73Å; I276-L315 HydrophobicContact CD1-CG 4.29Å; I276-L315 HydrophobicContact CG1-CD2 4.38Å; I276-L315 HydrophobicContact CG1-CG 4.15Å; L305-L315 HydrophobicContact CD1-CD2 4.47Å; L305-L315 HydrophobicContact CD2-CD2 3.79Å; N311-L315 VanDerWaalsContact O-CB 3.31Å; N311-L315 WeakPolarHBondContact O-CB 3.45Å; N311-L315 PolarHBondContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 3.43Å; P313-L315 PolarHBondContact O-N 2.76Å; L315-S319 VanDerWaalsContact O-CB 3.28Å; L315-S319 WeakPolarHBondContact O-CB 3.4Å; L315-S319 PolarHBondContact O-N 3.1Å; L315-S319 VanDerWaalsContact O-N 3.08Å; L315-S319 PolarHBondContact O-OG 3.48Å
316	L	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-52	171.8	-73.7	176.9	0	0	0	110.9	I276 L305 S312 P313 L318 S319 G320 V321 V341 V538 V545 L551 V553	I276-L316 HydrophobicContact CD1-CD2 4.03Å; L305-L316 HydrophobicContact CD1-CD2 3.68Å; L305-L316 HydrophobicContact CD1-CG 3.77Å; S312-L316 WeakPolarHBondContact O-CG 3.47Å; S312-L316 PolarHBondContact O-N 2.73Å; P313-L316 PolarHBondContact O-N 3.09Å; L316-L318 PolarHBondContact O-N 3.3Å; L316-S319 CarbonylContact O-C 3.08Å; L316-S319 WeakPolarHBondContact O-CA 3.47Å; L316-S319 PolarHBondContact O-N 2.78Å; L316-G320 PolarHBondContact O-N 3.39Å; L316-V321 CarbonylContact C-O 3.5Å; L316-V321 HydrophobicContact CB-CB 4.13Å; L316-V321 HydrophobicContact CB-CG1 4.47Å; L316-V321 HydrophobicContact CD2-CB 4.25Å; L316-V321 HydrophobicContact CD2-CG1 4.23Å; L316-V321 WeakPolarHBondContact O-CB 3.42Å; L316-V321 PolarHBondContact O-N 2.87Å; L316-V341 HydrophobicContact CB-CG1 3.95Å; L316-V341 HydrophobicContact CD1-CG1 4.15Å; L316-V341 HydrophobicContact CD1-CG2 4.24Å; L316-V538 HydrophobicContact CD1-CG1 4.17Å; L316-V545 HydrophobicContact CD2-CG2 4.47Å; L316-L551 HydrophobicContact CD2-CD2 3.83Å; L316-V553 HydrophobicContact CD1-CG2 4.02Å
317	M	98.9	Very high	98.7	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-46.4	-179.8	-71.2	-173.7	-76.8	0	0	112.2	P313 Q314 S319 G320 V321 L327 V341 M446 L448	P313-M317 WeakPolarHBondContact O-CE 3.38Å; P313-M317 WeakPolarHBondContact O-CG 3.31Å; P313-M317 PolarHBondContact O-N 2.71Å; Q314-M317 PolarHBondContact O-N 3.29Å; M317-S319 PolarHBondContact O-N 2.95Å; M317-S319 VanDerWaalsContact O-N 3.11Å; M317-G320 PolarHBondContact O-N 3.42Å; M317-V321 WeakPolarHBondContact CA-O 3.42Å; M317-V321 PolarHBondContact N-O 3.26Å; M317-L327 HydrophobicContact CB-CD2 3.95Å; M317-L327 HydrophobicContact CG-CD2 4.46Å; M317-L327 WeakPolarHBondContact O-CD2 3.14Å; M317-V341 HydrophobicContact CG-CG1 3.78Å; M317-M446 HydrophobicContact CE-CE 3.57Å; M317-L448 HydrophobicContact CB-CD1 3.59Å; M317-L448 HydrophobicContact CB-CD2 4.04Å; M317-L448 HydrophobicContact CB-CG 3.67Å; M317-L448 HydrophobicContact CE-CD2 4.11Å; M317-L448 HydrophobicContact CE-CG 4.1Å; M317-L448 HydrophobicContact CG-CG 4.49Å; M317-L448 HydrophobicContact SD-CG 4.06Å
318	L	98.9	Very high	98.7	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-22.7	176.2	-71.6	166.2	0	0	0	112.9	Q314 L316 L448 P453	Q314-L318 HydrophobicContact CG-CD1 3.74Å; Q314-L318 HydrophobicContact CG-CG 4.36Å; Q314-L318 WeakPolarHBondContact O-CB 3.07Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.37Å; Q314-L318 PolarHBondContact O-N 2.78Å; L316-L318 PolarHBondContact O-N 3.3Å; L318-L448 HydrophobicContact CD2-CD1 3.96Å; L318-L448 HydrophobicContact CD2-CD2 4.13Å; L318-L448 HydrophobicContact CG-CD1 4.15Å; L318-L448 HydrophobicContact CG-CD2 3.89Å; L318-P453 HydrophobicContact CD1-CB 3.89Å
319	S	98.9	Very high	98.7	Very high	3 Å²	3	28 Å²	28	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	6.7	179	-49.8	0	0	0	0	113.4	I276 L315 L316 M317 I335	I276-S319 PolarHBondContact N-OG 2.76Å; L315-S319 VanDerWaalsContact O-CB 3.28Å; L315-S319 WeakPolarHBondContact O-CB 3.4Å; L315-S319 PolarHBondContact O-N 3.1Å; L315-S319 VanDerWaalsContact O-N 3.08Å; L315-S319 PolarHBondContact O-OG 3.48Å; L316-S319 CarbonylContact O-C 3.08Å; L316-S319 WeakPolarHBondContact O-CA 3.47Å; L316-S319 PolarHBondContact O-N 2.78Å; M317-S319 PolarHBondContact O-N 2.95Å; M317-S319 VanDerWaalsContact O-N 3.11Å; S319-I335 WeakPolarHBondContact O-CG1 3.47Å
320	G	98.7	Very high	98.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	14.6	177.8	0	0	0	0	0	114.9	L316 M317 P333 I335 Q336	L316-G320 PolarHBondContact O-N 3.39Å; M317-G320 PolarHBondContact O-N 3.42Å; G320-P333 WeakPolarHBondContact CA-O 3.4Å; G320-I335 PolarHBondContact O-N 2.97Å; G320-Q336 PolarHBondContact O-N 3.23Å; G320-Q336 VanDerWaalsContact O-N 3.16Å
321	V	98.9	Very high	98.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107.6	179.8	-175.3	0	0	0	0	109.3	F278 L316 M317 I335 Q336 L338 V545 L548	F278-V321 HydrophobicContact CE2-CG2 4.24Å; F278-V321 HydrophobicContact CZ-CG2 3.89Å; L316-V321 CarbonylContact C-O 3.5Å; L316-V321 HydrophobicContact CB-CB 4.13Å; L316-V321 HydrophobicContact CB-CG1 4.47Å; L316-V321 HydrophobicContact CD2-CB 4.25Å; L316-V321 HydrophobicContact CD2-CG1 4.23Å; L316-V321 WeakPolarHBondContact O-CB 3.42Å; L316-V321 PolarHBondContact O-N 2.87Å; M317-V321 WeakPolarHBondContact CA-O 3.42Å; M317-V321 PolarHBondContact N-O 3.26Å; V321-I335 HydrophobicContact CG2-CB 4.48Å; V321-Q336 WeakPolarHBondContact CA-O 3.28Å; V321-Q336 HydrophobicContact CG1-CB 4.31Å; V321-Q336 HydrophobicContact CG2-CB 4.47Å; V321-L338 HydrophobicContact CG1-CD1 3.84Å; V321-L338 HydrophobicContact CG1-CG 4.5Å; V321-V545 HydrophobicContact CG1-CG1 4.3Å; V321-L548 HydrophobicContact CB-CD1 4.45Å; V321-L548 HydrophobicContact CG1-CD1 3.98Å; V321-L548 HydrophobicContact CG2-CD1 3.57Å
322	G	98.6	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-159.3	-175.1	0	0	0	0	0	114.2	A324 Q336 H337 L338	G322-A324 PolarHBondContact O-N 3.2Å; G322-Q336 PolarHBondContact N-O 3.31Å; G322-Q336 VanDerWaalsContact N-O 3.1Å; G322-H337 WeakPolarHBondContact O-CA 3.32Å; G322-H337 PolarHBondContact O-ND1 3.11Å; G322-L338 CarbonylContact C-O 3.56Å; G322-L338 VanDerWaalsContact C-O 3.22Å; G322-L338 VanDerWaalsContact CA-O 3.28Å; G322-L338 WeakPolarHBondContact CA-O 3.34Å; G322-L338 PolarHBondContact O-N 2.82Å
323	N	98.6	Very high	98.6	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	22%	0.216	C	C	.	.			trans	-64.6	120.2	173.5	-176.1	-48.8	0	0	0	110.2	E325 E326 L327 P339	N323-E325 VanDerWaalsContact C-N 3.32Å; N323-E325 PolarHBondContact O-N 3.46Å; N323-E325 PolarHBondContact OD1-N 2.81Å; N323-E326 HydrophobicContact CB-CB 4.12Å; N323-E326 HydrophobicContact CB-CG 3.95Å; N323-E326 PolarHBondContact O-N 3.25Å; N323-E326 PolarHBondContact OD1-N 2.83Å; N323-L327 WeakPolarHBondContact O-CB 3.1Å; N323-L327 WeakPolarHBondContact O-CG 3.42Å; N323-L327 PolarHBondContact O-N 3.03Å; N323-P339 HydrophobicContact CB-CB 4.49Å
324	A	98.6	Very high	98.6	Very high	15 Å²	15	39.1 Å²	39.1	12%	0.124	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-33.7	-170.9	0	0	0	0	0	112.9	G322 K328 V334 H337	G322-A324 PolarHBondContact O-N 3.2Å; A324-K328 WeakPolarHBondContact O-CB 3.48Å; A324-K328 WeakPolarHBondContact O-CD 3.21Å; A324-K328 WeakPolarHBondContact O-CG 3.28Å; A324-K328 PolarHBondContact O-N 3.2Å; A324-K328 VanDerWaalsContact O-N 3.1Å; A324-V334 HydrophobicContact CB-CG1 4.06Å; A324-V334 HydrophobicContact CB-CG2 4.04Å; A324-H337 HydrophobicContact CB-CB 4.28Å; A324-H337 PolarHBondContact N-ND1 3.41Å; A324-H337 VanDerWaalsContact N-ND1 3.1Å
325	E	98.4	Very high	98.6	Very high	153 Å²	153	41.8 Å²	41.8	72%	0.715	25%	0.245	S	C	*	.	H	α-helix	trans	-72	-44.9	179.5	-60.9	-176.1	155.1	0	0	110.8	N323 L327 K328 A329	N323-E325 VanDerWaalsContact C-N 3.32Å; N323-E325 PolarHBondContact O-N 3.46Å; N323-E325 PolarHBondContact OD1-N 2.81Å; E325-L327 PolarHBondContact O-N 3.29Å; E325-K328 PolarHBondContact O-N 3.13Å; E325-A329 WeakPolarHBondContact O-CB 3.06Å; E325-A329 PolarHBondContact O-N 3.01Å
326	E	98.4	Very high	98.6	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.1	-61.1	-174	172.9	0	0	112	N323 A329 L330 K447	N323-E326 HydrophobicContact CB-CB 4.12Å; N323-E326 HydrophobicContact CB-CG 3.95Å; N323-E326 PolarHBondContact O-N 3.25Å; N323-E326 PolarHBondContact OD1-N 2.83Å; E326-A329 PolarHBondContact O-N 2.97Å; E326-L330 PolarHBondContact O-N 2.92Å; E326-K447 WeakPolarHBondContact OE1-CE 3.27Å; E326-K447 IonicContact OE1-NZ 3.24Å; E326-K447 PolarHBondContact OE1-NZ 2.91Å
327	L	98.8	Very high	98.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-45.2	176.4	-67.9	178.9	0	0	0	111.9	M317 N323 E325 A329 L330 G331 I332 V334 L448	M317-L327 HydrophobicContact CB-CD2 3.95Å; M317-L327 HydrophobicContact CG-CD2 4.46Å; M317-L327 WeakPolarHBondContact O-CD2 3.14Å; N323-L327 WeakPolarHBondContact O-CB 3.1Å; N323-L327 WeakPolarHBondContact O-CG 3.42Å; N323-L327 PolarHBondContact O-N 3.03Å; E325-L327 PolarHBondContact O-N 3.29Å; L327-A329 VanDerWaalsContact C-N 3.31Å; L327-A329 PolarHBondContact O-N 3.27Å; L327-L330 CarbonylContact O-C 3.48Å; L327-L330 PolarHBondContact O-N 3.07Å; L327-L330 VanDerWaalsContact O-N 3.12Å; L327-G331 PolarHBondContact O-N 3.1Å; L327-I332 HydrophobicContact CB-CB 4.27Å; L327-I332 HydrophobicContact CD2-CB 4.35Å; L327-I332 HydrophobicContact CD2-CD1 4.11Å; L327-I332 HydrophobicContact CD2-CG2 4.28Å; L327-I332 PolarHBondContact O-N 2.63Å; L327-V334 HydrophobicContact CB-CG2 4.08Å; L327-V334 HydrophobicContact CD1-CG2 4.4Å; L327-L448 HydrophobicContact CD2-CD1 4.36Å
328	K	98.6	Very high	98.5	Very high	144 Å²	144	48.6 Å²	48.6	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-60.8	-40.2	176.4	-75.8	169.9	-174.4	176.8	0	111.8	A324 E325 L330 G331 V334	A324-K328 WeakPolarHBondContact O-CB 3.48Å; A324-K328 WeakPolarHBondContact O-CD 3.21Å; A324-K328 WeakPolarHBondContact O-CG 3.28Å; A324-K328 PolarHBondContact O-N 3.2Å; A324-K328 VanDerWaalsContact O-N 3.1Å; E325-K328 PolarHBondContact O-N 3.13Å; K328-L330 PolarHBondContact O-N 3.05Å; K328-G331 PolarHBondContact O-N 3.1Å; K328-V334 HydrophobicContact CG-CG2 4.01Å
329	A	98.4	Very high	98.5	Very high	87 Å²	87	49.7 Å²	49.7	72%	0.719	29%	0.285	S	S	*	.	H	α-helix	trans	-61	-26.6	177.2	0	0	0	0	0	113.1	E325 E326 L327	E325-A329 WeakPolarHBondContact O-CB 3.06Å; E325-A329 PolarHBondContact O-N 3.01Å; E326-A329 PolarHBondContact O-N 2.97Å; L327-A329 VanDerWaalsContact C-N 3.31Å; L327-A329 PolarHBondContact O-N 3.27Å
330	L	98.4	Very high	98.5	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.288	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	4.8	175.4	-66	175	0	0	0	113.7	E326 L327 K328 I332 L448	E326-L330 PolarHBondContact O-N 2.92Å; L327-L330 CarbonylContact O-C 3.48Å; L327-L330 PolarHBondContact O-N 3.07Å; L327-L330 VanDerWaalsContact O-N 3.12Å; K328-L330 PolarHBondContact O-N 3.05Å; L330-I332 VanDerWaalsContact C-N 3.29Å; L330-I332 HydrophobicContact CB-CD1 4.1Å; L330-I332 HydrophobicContact CB-CG1 4.2Å; L330-I332 HydrophobicContact CD1-CD1 4.48Å; L330-I332 PolarHBondContact O-N 3.49Å; L330-L448 HydrophobicContact CD1-CB 3.53Å; L330-L448 HydrophobicContact CD1-CD1 4.18Å; L330-L448 HydrophobicContact CD1-CG 4.47Å
331	G	98.3	Very high	98.5	Very high	66 Å²	66	49.9 Å²	49.9	68%	0.68	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	20.9	-177.5	0	0	0	0	0	114.1	L327 K328	L327-G331 PolarHBondContact O-N 3.1Å; K328-G331 PolarHBondContact O-N 3.1Å
332	I	98.6	Very high	98.5	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.072	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-91.7	122.6	178.9	-59.4	171.1	0	0	0	108.8	L327 L330 V334 L448 P451	L327-I332 HydrophobicContact CB-CB 4.27Å; L327-I332 HydrophobicContact CD2-CB 4.35Å; L327-I332 HydrophobicContact CD2-CD1 4.11Å; L327-I332 HydrophobicContact CD2-CG2 4.28Å; L327-I332 PolarHBondContact O-N 2.63Å; L330-I332 VanDerWaalsContact C-N 3.29Å; L330-I332 HydrophobicContact CB-CD1 4.1Å; L330-I332 HydrophobicContact CB-CG1 4.2Å; L330-I332 HydrophobicContact CD1-CD1 4.48Å; L330-I332 PolarHBondContact O-N 3.49Å; I332-V334 PolarHBondContact O-N 3.38Å; I332-L448 HydrophobicContact CD1-CD1 3.38Å; I332-P451 HydrophobicContact CD1-CB 4.23Å; I332-P451 HydrophobicContact CG1-CB 4.07Å
333	P	97.9	Very high	98.5	Very high	91 Å²	91	52.5 Å²	52.5	59%	0.591	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-60.3	132.4	174.4	-23.3	34	0	0	0	111.4	G320	G320-P333 WeakPolarHBondContact CA-O 3.4Å
334	V	98.6	Very high	98.5	Very high	52 Å²	52	52.5 Å²	52.5	32%	0.315	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-82.6	121.7	178.9	-177.6	0	0	0	0	109.3	A324 L327 K328 I332	A324-V334 HydrophobicContact CB-CG1 4.06Å; A324-V334 HydrophobicContact CB-CG2 4.04Å; L327-V334 HydrophobicContact CB-CG2 4.08Å; L327-V334 HydrophobicContact CD1-CG2 4.4Å; K328-V334 HydrophobicContact CG-CG2 4.01Å; I332-V334 PolarHBondContact O-N 3.38Å
335	I	98.6	Very high	98.5	Very high	71 Å²	71	51.9 Å²	51.9	36%	0.364	30%	0.296	S	S	.	.	S	Bend	trans	-93.5	-47	171	-60.9	-59.8	0	0	0	109.7	F278 S319 G320 V321 L548	F278-I335 HydrophobicContact CD1-CG2 4.19Å; F278-I335 HydrophobicContact CD2-CG1 4.09Å; F278-I335 HydrophobicContact CD2-CG2 4.15Å; F278-I335 HydrophobicContact CE1-CG2 4.36Å; F278-I335 HydrophobicContact CE2-CG1 4.41Å; F278-I335 HydrophobicContact CE2-CG2 4.29Å; F278-I335 HydrophobicContact CG-CG2 4.09Å; F278-I335 HydrophobicContact CZ-CG2 4.4Å; S319-I335 WeakPolarHBondContact O-CG1 3.47Å; G320-I335 PolarHBondContact O-N 2.97Å; V321-I335 HydrophobicContact CG2-CB 4.48Å; I335-L548 HydrophobicContact CG2-CD2 4.02Å
336	Q	98.5	Very high	98.5	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.262	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.8	-179.3	177.6	61.3	35	0	0	110.3	G320 V321 G322 L338 L548	G320-Q336 PolarHBondContact O-N 3.23Å; G320-Q336 VanDerWaalsContact O-N 3.16Å; V321-Q336 WeakPolarHBondContact CA-O 3.28Å; V321-Q336 HydrophobicContact CG1-CB 4.31Å; V321-Q336 HydrophobicContact CG2-CB 4.47Å; G322-Q336 PolarHBondContact N-O 3.31Å; G322-Q336 VanDerWaalsContact N-O 3.1Å; Q336-L338 HydrophobicContact CG-CD1 4.24Å; Q336-L338 HydrophobicContact CG-CG 3.92Å; Q336-L338 PolarHBondContact O-N 3.03Å; Q336-L548 HydrophobicContact CB-CD1 4.1Å; Q336-L548 HydrophobicContact CB-CD2 3.96Å; Q336-L548 HydrophobicContact CB-CG 4.04Å; Q336-L548 HydrophobicContact CG-CD1 4.49Å; Q336-L548 HydrophobicContact CG-CG 4.21Å
337	H	98.3	Very high	98.5	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.417	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.7	172.1	-176.4	46.2	0	0	0	109.9	G322 A324	G322-H337 WeakPolarHBondContact O-CA 3.32Å; G322-H337 PolarHBondContact O-ND1 3.11Å; A324-H337 HydrophobicContact CB-CB 4.28Å; A324-H337 PolarHBondContact N-ND1 3.41Å; A324-H337 VanDerWaalsContact N-ND1 3.1Å
338	L	98.3	Very high	98.5	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.068	26%	0.255	C	S	.	.			trans	-136.1	87.8	170.5	-71.3	176.6	0	0	0	108	V321 G322 Q336 G340 V341 V538 V545 L546	V321-L338 HydrophobicContact CG1-CD1 3.84Å; V321-L338 HydrophobicContact CG1-CG 4.5Å; G322-L338 CarbonylContact C-O 3.56Å; G322-L338 VanDerWaalsContact C-O 3.22Å; G322-L338 VanDerWaalsContact CA-O 3.28Å; G322-L338 WeakPolarHBondContact CA-O 3.34Å; G322-L338 PolarHBondContact O-N 2.82Å; Q336-L338 HydrophobicContact CG-CD1 4.24Å; Q336-L338 HydrophobicContact CG-CG 3.92Å; Q336-L338 PolarHBondContact O-N 3.03Å; L338-G340 PolarHBondContact O-N 3.45Å; L338-G340 VanDerWaalsContact O-N 3.09Å; L338-V341 HydrophobicContact CB-CG2 3.75Å; L338-V341 HydrophobicContact CD1-CG2 4.46Å; L338-V341 WeakPolarHBondContact O-CG2 3.11Å; L338-V341 PolarHBondContact O-N 3.13Å; L338-V341 VanDerWaalsContact O-N 3.13Å; L338-V538 HydrophobicContact CD1-CG1 4.37Å; L338-V545 HydrophobicContact CD1-CG1 3.64Å; L338-L546 HydrophobicContact CD2-CB 4.03Å
339	P	98.2	Very high	98.4	Very high	40 Å²	40	36.4 Å²	36.4	26%	0.26	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.5	-176.3	26.6	-32.4	0	0	0	112.6	N323 V341 N343	N323-P339 HydrophobicContact CB-CB 4.49Å; P339-V341 VanDerWaalsContact C-N 3.3Å; P339-V341 PolarHBondContact O-N 3.23Å; P339-N343 PolarHBondContact O-ND2 3.2Å
340	G	98.5	Very high	98.2	Very high	4 Å²	4	33 Å²	33	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.9	173.4	0	0	0	0	0	115.4	L338 G342 N343 T536 V538	L338-G340 PolarHBondContact O-N 3.45Å; L338-G340 VanDerWaalsContact O-N 3.09Å; G340-G342 PolarHBondContact O-N 2.92Å; G340-N343 PolarHBondContact O-N 2.85Å; G340-T536 WeakPolarHBondContact CA-O 3.17Å; G340-V538 VanDerWaalsContact C-CG2 3.42Å
341	V	98.9	Very high	98.1	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.024	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	121.3	-177.2	-179.9	0	0	0	0	110.4	P313 L316 M317 L338 P339 N343 V538	P313-V341 HydrophobicContact CB-CG1 3.81Å; L316-V341 HydrophobicContact CB-CG1 3.95Å; L316-V341 HydrophobicContact CD1-CG1 4.15Å; L316-V341 HydrophobicContact CD1-CG2 4.24Å; M317-V341 HydrophobicContact CG-CG1 3.78Å; L338-V341 HydrophobicContact CB-CG2 3.75Å; L338-V341 HydrophobicContact CD1-CG2 4.46Å; L338-V341 WeakPolarHBondContact O-CG2 3.11Å; L338-V341 PolarHBondContact O-N 3.13Å; L338-V341 VanDerWaalsContact O-N 3.13Å; P339-V341 VanDerWaalsContact C-N 3.3Å; P339-V341 PolarHBondContact O-N 3.23Å; V341-N343 VanDerWaalsContact C-N 3.27Å; V341-N343 PolarHBondContact O-N 3.2Å; V341-V538 HydrophobicContact CB-CG2 4.48Å; V341-V538 HydrophobicContact CG2-CB 4.47Å; V341-V538 HydrophobicContact CG2-CG1 3.76Å; V341-V538 HydrophobicContact CG2-CG2 3.86Å
342	G	98.8	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-11.3	-178	0	0	0	0	0	114.5	G340 W445 M446 T526	G340-G342 PolarHBondContact O-N 2.92Å; G342-W445 CarbonylContact O-C 3.2Å; G342-W445 WeakPolarHBondContact O-CA 3.49Å; G342-M446 PolarHBondContact O-N 2.92Å; G342-T526 PolarHBondContact N-O 3.34Å
343	N	98.6	Very high	98	Very high	54 Å²	54	28.9 Å²	28.9	29%	0.289	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	177	175.1	-74.4	-69.8	0	0	0	111.5	P339 G340 V341 L345 T526	P339-N343 PolarHBondContact O-ND2 3.2Å; G340-N343 PolarHBondContact O-N 2.85Å; V341-N343 VanDerWaalsContact C-N 3.27Å; V341-N343 PolarHBondContact O-N 3.2Å; N343-L345 PolarHBondContact O-N 3.29Å; N343-T526 VanDerWaalsContact O-CA 3.29Å; N343-T526 WeakPolarHBondContact O-CA 3.38Å
344	N	98.5	Very high	97.9	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.182	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	32.1	-178.9	-165.6	41.6	0	0	0	113.2	Q346 G444 C525 K528 P560	N344-Q346 PolarHBondContact O-N 3.33Å; N344-Q346 VanDerWaalsContact O-N 3.15Å; N344-Q346 PolarHBondContact OD1-NE2 2.82Å; N344-G444 PolarHBondContact N-O 3.37Å; N344-C525 CarbonylContact O-C 3.49Å; N344-C525 WeakPolarHBondContact O-CB 3.29Å; N344-K528 HydrophobicContact CB-CD 4.5Å; N344-P560 PolarHBondContact ND2-O 2.92Å
345	L	98.8	Very high	97.9	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	113.9	178.3	173.5	61.8	0	0	0	109.1	W133 N343 G444 W445 M446 P523 T526	W133-L345 HydrophobicContact CH2-CD1 4.22Å; W133-L345 HydrophobicContact CH2-CD2 3.83Å; W133-L345 HydrophobicContact CH2-CG 4.27Å; W133-L345 HydrophobicContact CZ3-CD1 4.37Å; W133-L345 HydrophobicContact CZ3-CD2 4.17Å; N343-L345 PolarHBondContact O-N 3.29Å; L345-G444 PolarHBondContact N-O 3.07Å; L345-G444 WeakPolarHBondContact O-CA 3.38Å; L345-G444 PolarHBondContact O-N 3Å; L345-W445 WeakPolarHBondContact CD2-O 3.13Å; L345-M446 HydrophobicContact CD2-CB 4.5Å; L345-P523 HydrophobicContact CD1-CB 3.95Å; L345-T526 HydrophobicContact CB-CG2 3.77Å; L345-T526 HydrophobicContact CD1-CG2 3.62Å; L345-T526 HydrophobicContact CG-CG2 4.24Å
346	Q	98.7	Very high	97.9	Very high	15 Å²	15	23 Å²	23	7%	0.07	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-117.6	143.6	178.6	-65.7	-178.9	34.7	0	0	109.9	N344 I443 P523 S524 C525 I562	N344-Q346 PolarHBondContact O-N 3.33Å; N344-Q346 VanDerWaalsContact O-N 3.15Å; N344-Q346 PolarHBondContact OD1-NE2 2.82Å; Q346-I443 HydrophobicContact CG-CD1 3.47Å; Q346-I443 VanDerWaalsContact CG-CD1 3.47Å; Q346-P523 CarbonylContact O-C 3.27Å; Q346-P523 VanDerWaalsContact O-CA 3.3Å; Q346-P523 WeakPolarHBondContact O-CA 3.49Å; Q346-S524 PolarHBondContact N-O 2.99Å; Q346-S524 PolarHBondContact O-N 3.13Å; Q346-S524 PolarHBondContact O-OG 3.22Å; Q346-S524 VanDerWaalsContact O-OG 3.1Å; Q346-C525 HydrophobicContact CB-CB 4.36Å; Q346-C525 HydrophobicContact CG-CB 4.35Å; Q346-I562 HydrophobicContact CB-CB 4Å; Q346-I562 HydrophobicContact CB-CG2 4.27Å
347	D	98.3	Very high	97.9	Very high	14 Å²	14	20.5 Å²	20.5	8%	0.075	10%	0.103	C	C	.	.			trans	-150.3	154.1	178.7	-175.6	28.2	0	0	0	110.1	Y463 S519 H522	D347-Y463 HydrophobicContact CB-CE1 4.08Å; D347-Y463 PolarHBondContact OD2-OH 3.13Å; D347-S519 WeakPolarHBondContact OD2-CB 3.32Å; D347-S519 PolarHBondContact OD2-OG 3.19Å; D347-H522 WeakPolarHBondContact OD1-CA 3.13Å; D347-H522 WeakPolarHBondContact OD1-CB 3.49Å; D347-H522 PolarHBondContact OD1-N 3.16Å
348	H	98	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.			trans	-84.8	128.3	169.9	-63.3	136.8	0	0	0	109.4	M438 A520 H522 I562 V563 G565	H348-M438 HydrophobicContact CB-CE 4.21Å; H348-M438 PolarHBondContact CD2-O 3.49Å; H348-M438 PolarHBondContact NE2-O 3.44Å; H348-A520 HydrophobicContact CB-CB 3.92Å; H348-A520 WeakPolarHBondContact O-CB 3.44Å; H348-A520 PolarHBondContact O-N 3.23Å; H348-H522 HydrophobicContact CB-CB 4.16Å; H348-H522 AromaticContact CG-ND1 3.76Å; H348-H522 AromaticContact ND1-CG 3.62Å; H348-H522 AromaticContact ND1-ND1 3.13Å; H348-H522 PolarHBondContact ND1-ND1 3.45Å; H348-H522 VanDerWaalsContact ND1-ND1 3.13Å; H348-I562 VanDerWaalsContact CE1-CD1 3.46Å; H348-I562 WeakPolarHBondContact CE1-CD1 3.34Å; H348-I562 VanDerWaalsContact NE2-CD1 3.35Å; H348-I562 WeakPolarHBondContact NE2-CD1 3.49Å; H348-I562 WeakPolarHBondContact NE2-CG1 3.45Å; H348-V563 PolarHBondContact CE1-O 3.21Å; H348-V563 PolarHBondContact NE2-O 3.19Å; H348-G565 PolarHBondContact CE1-O 3.02Å; H348-G565 PolarHBondContact ND1-O 3.24Å
349	L	96.4	Very high	97.8	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.1	168.8	-166.7	80.6	0	0	0	107.5	M126 L131 Y463 L464 F473 A517 D518	M126-L349 HydrophobicContact CE-CD1 4.2Å; M126-L349 HydrophobicContact CE-CD2 3.91Å; M126-L349 HydrophobicContact SD-CD2 4.38Å; L131-L349 HydrophobicContact CD2-CD1 4.2Å; L349-Y463 HydrophobicContact CB-CD1 4.21Å; L349-Y463 HydrophobicContact CB-CE1 4.29Å; L349-Y463 HydrophobicContact CD1-CD1 3.84Å; L349-Y463 HydrophobicContact CD1-CD2 4.05Å; L349-Y463 HydrophobicContact CD1-CE1 3.86Å; L349-Y463 HydrophobicContact CD1-CE2 4.09Å; L349-Y463 HydrophobicContact CD1-CG 3.9Å; L349-Y463 HydrophobicContact CD2-CD1 4.46Å; L349-Y463 HydrophobicContact CD2-CG 4.44Å; L349-Y463 HydrophobicContact CG-CD1 4.42Å; L349-L464 HydrophobicContact CD2-CD1 4.49Å; L349-L464 HydrophobicContact CD2-CD2 4Å; L349-L464 HydrophobicContact CD2-CG 4.08Å; L349-F473 HydrophobicContact CB-CE2 3.92Å; L349-F473 HydrophobicContact CB-CZ 3.57Å; L349-F473 HydrophobicContact CD2-CE2 3.63Å; L349-F473 HydrophobicContact CD2-CZ 3.61Å; L349-F473 HydrophobicContact CG-CE2 4.15Å; L349-F473 HydrophobicContact CG-CZ 3.7Å; L349-F473 VanDerWaalsContact O-CZ 3.28Å; L349-F473 WeakPolarHBondContact O-CZ 3.34Å; L349-A517 HydrophobicContact CD2-CB 3.65Å; L349-A517 HydrophobicContact CG-CB 3.95Å; L349-D518 CarbonylContact C-O 3.53Å; L349-D518 WeakPolarHBondContact CA-O 3.46Å; L349-D518 VanDerWaalsContact CD1-O 3.26Å; L349-D518 WeakPolarHBondContact CD1-O 3.48Å
350	E	96.1	Very high	97.7	Very high	16 Å²	16	26 Å²	26	8%	0.075	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.9	178.4	-76.9	174.5	-173.5	0	0	110.4	H412 V435 A517 D518 A520	E350-H412 IonicContact OE1-CE1 2.68Å; E350-H412 PolarHBondContact OE1-CE1 2.92Å; E350-H412 IonicContact OE1-ND1 2.71Å; E350-V435 CarbonylContact C-O 3.56Å; E350-V435 VanDerWaalsContact CA-O 3.3Å; E350-V435 WeakPolarHBondContact CA-O 3.37Å; E350-A517 CarbonylContact O-C 3.58Å; E350-A517 VanDerWaalsContact O-CA 3.25Å; E350-A517 WeakPolarHBondContact O-CA 3.31Å; E350-D518 PolarHBondContact N-O 3.1Å; E350-D518 PolarHBondContact O-N 2.92Å; E350-D518 VanDerWaalsContact O-O 3.14Å; E350-A520 HydrophobicContact CB-CB 4.36Å; E350-A520 HydrophobicContact CG-CB 3.81Å; E350-A520 WeakPolarHBondContact OE1-CB 3.13Å
351	L	95.4	Very high	97.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	164.7	172.3	76.2	125.1	0	0	0	111.1	V353 H434 V435 F473 C476 V477 F512 A517	L351-V353 HydrophobicContact CD1-CG2 3.68Å; L351-H434 WeakPolarHBondContact O-CA 3.38Å; L351-V435 HydrophobicContact CD1-CG1 4.34Å; L351-V435 HydrophobicContact CD2-CG1 3.91Å; L351-V435 HydrophobicContact CG-CG1 3.77Å; L351-V435 PolarHBondContact N-O 3.2Å; L351-V435 PolarHBondContact O-N 3.35Å; L351-F473 HydrophobicContact CD2-CD1 3.35Å; L351-F473 HydrophobicContact CD2-CE1 3.61Å; L351-C476 HydrophobicContact CD2-CB 4.15Å; L351-V477 HydrophobicContact CD1-CG2 3.56Å; L351-V477 HydrophobicContact CD2-CG2 4.24Å; L351-F512 HydrophobicContact CD1-CE1 3.69Å; L351-F512 HydrophobicContact CD1-CZ 4.47Å; L351-A517 HydrophobicContact CB-CB 4.35Å
352	Y	96.1	Very high	97.4	Very high	46 Å²	46	28.3 Å²	28.3	18%	0.18	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.4	174.5	-50.4	-29.7	0	0	0	110.5	V418 V433 H434	Y352-V418 HydrophobicContact CE2-CB 4.21Å; Y352-V418 HydrophobicContact CE2-CG1 3.84Å; Y352-V433 WeakPolarHBondContact CA-O 3.3Å; Y352-H434 HydrophobicContact CD1-CB 4.31Å; Y352-H434 AromaticContact CD1-CD2 3.13Å; Y352-H434 WeakPolarHBondContact CD1-CD2 3.16Å; Y352-H434 AromaticContact CD1-CE1 3.88Å; Y352-H434 AromaticContact CD1-CG 3.63Å; Y352-H434 AromaticContact CD1-NE2 3.31Å; Y352-H434 VanDerWaalsContact CD1-NE2 3.31Å; Y352-H434 WeakPolarHBondContact CD1-NE2 3.44Å; Y352-H434 HydrophobicContact CE1-CB 4.34Å; Y352-H434 AromaticContact CE1-CD2 3.29Å; Y352-H434 WeakPolarHBondContact CE1-CD2 3.2Å; Y352-H434 AromaticContact CE1-CE1 3.18Å; Y352-H434 WeakPolarHBondContact CE1-CE1 3.43Å; Y352-H434 AromaticContact CE1-CG 3.47Å; Y352-H434 VanDerWaalsContact CE1-CG 3.47Å; Y352-H434 AromaticContact CE1-ND1 3.43Å; Y352-H434 WeakPolarHBondContact CE1-ND1 3.19Å; Y352-H434 AromaticContact CE1-NE2 3.1Å; Y352-H434 WeakPolarHBondContact CE1-NE2 3.12Å; Y352-H434 AromaticContact CZ-CE1 3.67Å; Y352-H434 AromaticContact CZ-NE2 3.7Å
353	V	97.8	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.8	163.3	-178.2	0	0	0	0	107.2	L351 Q432 V433 V435 F484 Q498	L351-V353 HydrophobicContact CD1-CG2 3.68Å; V353-Q432 WeakPolarHBondContact O-CA 3.33Å; V353-Q432 VanDerWaalsContact O-CB 3.25Å; V353-Q432 WeakPolarHBondContact O-CB 3.18Å; V353-V433 HydrophobicContact CB-CG2 3.99Å; V353-V433 PolarHBondContact N-O 2.9Å; V353-V433 VanDerWaalsContact N-O 3.16Å; V353-V433 PolarHBondContact O-N 2.72Å; V353-V433 VanDerWaalsContact O-N 3.07Å; V353-V435 HydrophobicContact CG2-CG1 4.2Å; V353-F484 HydrophobicContact CG1-CD2 4.33Å; V353-F484 HydrophobicContact CG1-CE2 4.24Å; V353-Q498 CarbonylContact C-O 3.01Å; V353-Q498 WeakPolarHBondContact CA-O 3.45Å
354	Q	97.4	Very high	96.9	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.9	-168.7	-56.8	-172.1	-22.2	0	0	110.9	Q417 V418 Q432 V497 Q498	Q354-Q417 VanDerWaalsContact OE1-NE2 3.08Å; Q354-V418 PolarHBondContact NE2-O 2.71Å; Q354-Q432 HydrophobicContact CB-CB 4.37Å; Q354-Q432 HydrophobicContact CG-CB 3.85Å; Q354-V497 HydrophobicContact CB-CB 3.97Å; Q354-V497 HydrophobicContact CB-CG1 4.32Å; Q354-V497 PolarHBondContact O-N 2.69Å; Q354-Q498 HydrophobicContact CB-CB 3.97Å; Q354-Q498 HydrophobicContact CG-CB 4.08Å; Q354-Q498 PolarHBondContact N-O 3.36Å; Q354-Q498 PolarHBondContact O-N 2.98Å
355	Q	97.8	Very high	96.6	Very high	18 Å²	18	33.2 Å²	33.2	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.2	174.7	-158.2	76	21.1	0	0	109.8	A430 Y431 F484 R493 G494 P495 E496	Q355-A430 WeakPolarHBondContact O-CA 3.38Å; Q355-A430 VanDerWaalsContact O-CB 3.26Å; Q355-A430 WeakPolarHBondContact O-CB 3.35Å; Q355-Y431 HydrophobicContact CB-CD2 3.97Å; Q355-Y431 HydrophobicContact CB-CE1 4.16Å; Q355-Y431 HydrophobicContact CB-CE2 3.43Å; Q355-Y431 VanDerWaalsContact CB-CE2 3.43Å; Q355-Y431 HydrophobicContact CG-CE1 4.41Å; Q355-Y431 HydrophobicContact CG-CE2 4.08Å; Q355-Y431 WeakPolarHBondContact CG-OH 3.38Å; Q355-Y431 PolarHBondContact N-O 3.14Å; Q355-Y431 PolarHBondContact O-N 3.1Å; Q355-F484 HydrophobicContact CB-CD2 4.16Å; Q355-F484 HydrophobicContact CB-CE2 4.34Å; Q355-R493 HydrophobicContact CG-CG 3.94Å; Q355-G494 PolarHBondContact NE2-O 2.57Å; Q355-P495 VanDerWaalsContact NE2-C 3.27Å; Q355-P495 PolarHBondContact NE2-O 3.24Å; Q355-E496 VanDerWaalsContact NE2-N 3.2Å
356	Q	97.8	Very high	96.2	Very high	71 Å²	71	34 Å²	34	33%	0.332	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.9	168.1	-177.5	173.9	0.7	0	0	109.2	I428 G494 P495 V497	Q356-I428 HydrophobicContact CB-CD1 4.42Å; Q356-I428 HydrophobicContact CG-CD1 4.3Å; Q356-G494 WeakPolarHBondContact O-CA 3.46Å; Q356-G494 PolarHBondContact O-N 2.74Å; Q356-P495 WeakPolarHBondContact CB-O 3.48Å; Q356-P495 PolarHBondContact N-O 2.85Å; Q356-V497 HydrophobicContact CB-CG2 3.9Å
357	C	98.3	Very high	95.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.2	169	-165.7	0	0	0	0	109.4	Q359 T362 E429 Y431 F492	C357-Q359 VanDerWaalsContact C-N 3.26Å; C357-Q359 PolarHBondContact SG-O 2.78Å; C357-T362 HydrophobicContact CB-CG2 3.56Å; C357-E429 HydrophobicContact CB-CB 4.06Å; C357-E429 PolarHBondContact N-O 3.12Å; C357-E429 WeakPolarHBondContact O-CB 3.29Å; C357-Y431 HydrophobicContact CB-CD1 3.89Å; C357-Y431 HydrophobicContact CB-CE1 4.21Å; C357-F492 CarbonylContact C-O 3.22Å; C357-F492 VanDerWaalsContact CA-O 3.28Å; C357-F492 WeakPolarHBondContact CA-O 3.06Å
358	T	97.9	Very high	95.5	Very high	85 Å²	85	39.6 Å²	39.6	52%	0.521	20%	0.199	S	C	.	.	S	Bend	trans	-76.4	-16.4	177.7	53.9	0	0	0	0	112.8	P491 F492	T358-P491 PolarHBondContact OG1-O 3.44Å; T358-F492 PolarHBondContact N-O 3.29Å; T358-F492 PolarHBondContact OG1-O 2.96Å
359	Q	97.3	Very high	95.2	Very high	68 Å²	68	44.3 Å²	44.3	32%	0.318	23%	0.229	S	C	.	.	S	Bend	trans	-110.3	146.9	-176.6	-59.6	-171.4	18.5	0	0	111.7	C357 I361 P491 F492	C357-Q359 VanDerWaalsContact C-N 3.26Å; C357-Q359 PolarHBondContact SG-O 2.78Å; Q359-I361 HydrophobicContact CB-CD1 4.21Å; Q359-I361 HydrophobicContact CB-CG1 4.03Å; Q359-I361 HydrophobicContact CB-CG2 4.15Å; Q359-I361 PolarHBondContact O-N 2.85Å; Q359-P491 PolarHBondContact NE2-O 2.68Å; Q359-F492 HydrophobicContact CG-CD1 4.33Å
360	P	96	Very high	95.2	Very high	106 Å²	106	51.1 Å²	51.1	69%	0.688	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	53.6	-178.8	36.2	-37.6	0	0	0	112.3
361	I	95.2	Very high	95.1	Very high	48 Å²	48	53 Å²	53	25%	0.246	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-5.3	-172.8	61.1	173.1	0	0	0	113.3	H207 P208 L209 Q359 F492	H207-I361 PolarHBondContact NE2-O 3.19Å; P208-I361 HydrophobicContact CG-CD1 4.05Å; L209-I361 HydrophobicContact CD1-CD1 4.24Å; L209-I361 HydrophobicContact CD1-CG1 4.36Å; L209-I361 HydrophobicContact CD2-CD1 4.12Å; L209-I361 HydrophobicContact CG-CD1 3.88Å; Q359-I361 HydrophobicContact CB-CD1 4.21Å; Q359-I361 HydrophobicContact CB-CG1 4.03Å; Q359-I361 HydrophobicContact CB-CG2 4.15Å; Q359-I361 PolarHBondContact O-N 2.85Å; I361-F492 HydrophobicContact CD1-CD1 3.52Å; I361-F492 HydrophobicContact CD1-CE1 3.59Å
362	T	96.2	Very high	95.1	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.055	29%	0.285	C	S	.	.	S	Bend	trans	-82.6	178.8	-176.3	81.2	0	0	0	0	111.7	L209 C357 Y364 P415 E429	L209-T362 HydrophobicContact CD1-CG2 4.12Å; C357-T362 HydrophobicContact CB-CG2 3.56Å; T362-Y364 PolarHBondContact O-N 3.05Å; T362-Y364 VanDerWaalsContact O-N 3.13Å; T362-Y364 WeakPolarHBondContact OG1-CB 3.29Å; T362-Y364 PolarHBondContact OG1-N 3.25Å; T362-P415 VanDerWaalsContact CB-O 3.31Å; T362-P415 WeakPolarHBondContact CB-O 3.49Å; T362-E429 VanDerWaalsContact CB-OE2 3.23Å; T362-E429 WeakPolarHBondContact CB-OE2 3.19Å; T362-E429 HydrophobicContact CG2-CB 4.27Å; T362-E429 WeakPolarHBondContact CG2-OE2 3.32Å; T362-E429 PolarHBondContact N-OE2 3.36Å; T362-E429 VanDerWaalsContact N-OE2 3.09Å; T362-E429 PolarHBondContact OG1-OE2 2.94Å
363	L	93.1	Very high	95.1	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.079	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-0.3	175	-57.7	-179.1	0	0	0	113.9	K365 A366 Q367 Y386 H391 P415	L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.01Å; L363-A366 WeakPolarHBondContact O-CB 3.28Å; L363-A366 PolarHBondContact O-N 3.39Å; L363-Q367 WeakPolarHBondContact O-CG 3.47Å; L363-Q367 PolarHBondContact O-N 2.77Å; L363-Y386 HydrophobicContact CD2-CD1 3.91Å; L363-Y386 HydrophobicContact CD2-CE1 3.81Å; L363-H391 HydrophobicContact CD1-CB 3.67Å; L363-H391 VanDerWaalsContact CD1-CG 3.49Å; L363-P415 HydrophobicContact CG-CG 4.42Å; L363-P415 WeakPolarHBondContact CG-O 3.39Å; L363-P415 PolarHBondContact N-O 3.04Å
364	Y	93.2	Very high	95.1	Very high	54 Å²	54	65.9 Å²	65.9	21%	0.212	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-46.8	179.4	177.3	-110.5	0	0	0	113.1	T362 A366 Q367 K368 S426 K427 I428 E429	T362-Y364 PolarHBondContact O-N 3.05Å; T362-Y364 VanDerWaalsContact O-N 3.13Å; T362-Y364 WeakPolarHBondContact OG1-CB 3.29Å; T362-Y364 PolarHBondContact OG1-N 3.25Å; Y364-A366 VanDerWaalsContact C-N 3.33Å; Y364-A366 PolarHBondContact O-N 2.74Å; Y364-Q367 PolarHBondContact O-N 3.02Å; Y364-K368 PolarHBondContact OH-NZ 2.95Å; Y364-S426 WeakPolarHBondContact CE2-O 3.41Å; Y364-K427 WeakPolarHBondContact CE2-O 3.34Å; Y364-K427 PolarHBondContact OH-O 2.65Å; Y364-I428 WeakPolarHBondContact CD2-O 3.35Å; Y364-E429 HydrophobicContact CD1-CG 4.32Å; Y364-E429 WeakPolarHBondContact CD1-OE1 3.46Å
365	K	92.4	Very high	95	Very high	121 Å²	121	67.3 Å²	67.3	53%	0.526	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-34.7	177.9	-171.4	177	-178.9	-179.4	0	112.3	L363 Q367 K368 H371	L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.01Å; K365-Q367 PolarHBondContact O-N 3.29Å; K365-K368 WeakPolarHBondContact O-CB 3.46Å; K365-K368 WeakPolarHBondContact O-CG 3.35Å; K365-K368 PolarHBondContact O-N 3.34Å; K365-K368 VanDerWaalsContact O-N 3.14Å; K365-H371 VanDerWaalsContact CE-CE1 3.41Å; K365-H371 WeakPolarHBondContact CE-CE1 3.21Å; K365-H371 VanDerWaalsContact CE-NE2 3.26Å; K365-H371 WeakPolarHBondContact CE-NE2 3.33Å; K365-H371 WeakPolarHBondContact O-CB 3.26Å; K365-H371 PolarHBondContact O-ND1 3.33Å
366	A	91.6	Very high	95	Very high	18 Å²	18	67.2 Å²	67.2	15%	0.149	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.5	179.1	0	0	0	0	0	112.6	L363 Y364 K368 M372 I375 Y386	L363-A366 WeakPolarHBondContact O-CB 3.28Å; L363-A366 PolarHBondContact O-N 3.39Å; Y364-A366 VanDerWaalsContact C-N 3.33Å; Y364-A366 PolarHBondContact O-N 2.74Å; A366-K368 PolarHBondContact O-N 3.34Å; A366-M372 VanDerWaalsContact O-CG 3.28Å; A366-M372 WeakPolarHBondContact O-CG 3.41Å; A366-I375 HydrophobicContact CB-CD1 3.82Å; A366-Y386 HydrophobicContact CB-CD1 4.27Å
367	Q	89.6	Confident	95	Very high	67 Å²	67	68.9 Å²	68.9	31%	0.313	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.9	176.6	-63.6	175.5	21.1	0	0	113.8	L363 Y364 K365 M372 S416	L363-Q367 WeakPolarHBondContact O-CG 3.47Å; L363-Q367 PolarHBondContact O-N 2.77Å; Y364-Q367 PolarHBondContact O-N 3.02Å; K365-Q367 PolarHBondContact O-N 3.29Å; Q367-M372 VanDerWaalsContact O-SD 3.35Å; Q367-S416 PolarHBondContact NE2-OG 3.13Å; Q367-S416 VanDerWaalsContact NE2-OG 3.11Å
368	K	91.2	Very high	95	Very high	81 Å²	81	71.9 Å²	71.9	35%	0.352	37%	0.366	S	S	.	.	S	Bend	trans	-79.5	142.4	177.8	-56.3	-56.2	-177.9	-175.8	0	110.7	Y364 K365 A366 F370 H371 M372	Y364-K368 PolarHBondContact OH-NZ 2.95Å; K365-K368 WeakPolarHBondContact O-CB 3.46Å; K365-K368 WeakPolarHBondContact O-CG 3.35Å; K365-K368 PolarHBondContact O-N 3.34Å; K365-K368 VanDerWaalsContact O-N 3.14Å; A366-K368 PolarHBondContact O-N 3.34Å; K368-F370 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 3.09Å; K368-F370 VanDerWaalsContact O-N 3.11Å; K368-H371 PolarHBondContact O-N 2.88Å; K368-M372 PolarHBondContact O-N 3.13Å
369	P	92.9	Very high	95	Very high	98 Å²	98	67.9 Å²	67.9	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-50.8	-44.4	-171.1	-30.7	35.2	0	0	0	115.1	H371 M372 I373	P369-H371 PolarHBondContact O-N 3.26Å; P369-M372 PolarHBondContact O-N 3.25Å; P369-I373 WeakPolarHBondContact O-CG1 3.49Å; P369-I373 PolarHBondContact O-N 2.93Å
370	F	95.3	Very high	95	Very high	147 Å²	147	67.6 Å²	67.6	65%	0.645	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-44.7	177.8	177.1	-99.3	0	0	0	112.9	K368 I373 K374	K368-F370 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 3.09Å; K368-F370 VanDerWaalsContact O-N 3.11Å; F370-I373 PolarHBondContact O-N 2.93Å; F370-K374 PolarHBondContact O-N 3.05Å; F370-K374 VanDerWaalsContact O-N 3.17Å
371	H	95	Very high	95	Very high	56 Å²	56	66.6 Å²	66.6	26%	0.259	33%	0.334	S	S	.	.	H	α-helix	trans	-70.2	-40.1	178.6	-65.5	90.9	0	0	0	111.1	K365 K368 P369 I373 K374 I375	K365-H371 VanDerWaalsContact CE-CE1 3.41Å; K365-H371 WeakPolarHBondContact CE-CE1 3.21Å; K365-H371 VanDerWaalsContact CE-NE2 3.26Å; K365-H371 WeakPolarHBondContact CE-NE2 3.33Å; K365-H371 WeakPolarHBondContact O-CB 3.26Å; K365-H371 PolarHBondContact O-ND1 3.33Å; K368-H371 PolarHBondContact O-N 2.88Å; P369-H371 PolarHBondContact O-N 3.26Å; H371-I373 VanDerWaalsContact C-N 3.29Å; H371-I373 PolarHBondContact O-N 3.17Å; H371-K374 PolarHBondContact O-N 2.9Å; H371-K374 VanDerWaalsContact O-N 3.15Å; H371-I375 WeakPolarHBondContact O-CB 3.18Å; H371-I375 WeakPolarHBondContact O-CG1 3.49Å; H371-I375 PolarHBondContact O-N 3.07Å
372	M	94.8	Very high	95.1	Very high	74 Å²	74	69.9 Å²	69.9	37%	0.365	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-40.9	174.5	-70.2	178.4	59.5	0	0	112.4	Y107 A366 Q367 K368 P369 I375 G376	Y107-M372 WeakPolarHBondContact OH-CE 3.26Å; A366-M372 VanDerWaalsContact O-CG 3.28Å; A366-M372 WeakPolarHBondContact O-CG 3.41Å; Q367-M372 VanDerWaalsContact O-SD 3.35Å; K368-M372 PolarHBondContact O-N 3.13Å; P369-M372 PolarHBondContact O-N 3.25Å; M372-I375 PolarHBondContact O-N 3.27Å; M372-G376 PolarHBondContact O-N 3.48Å
373	I	96.1	Very high	95.1	Very high	108 Å²	108	71.1 Å²	71.1	55%	0.554	36%	0.356	S	S	*	.	H	α-helix	trans	-62.1	-47.6	175	-69.2	164.5	0	0	0	110.1	P369 F370 H371 I375 G376 L377	P369-I373 WeakPolarHBondContact O-CG1 3.49Å; P369-I373 PolarHBondContact O-N 2.93Å; F370-I373 PolarHBondContact O-N 2.93Å; H371-I373 VanDerWaalsContact C-N 3.29Å; H371-I373 PolarHBondContact O-N 3.17Å; I373-I375 PolarHBondContact O-N 3.49Å; I373-G376 PolarHBondContact O-N 2.93Å; I373-L377 HydrophobicContact CG2-CD1 3.86Å; I373-L377 HydrophobicContact CG2-CG 4.31Å; I373-L377 WeakPolarHBondContact O-CB 3.4Å; I373-L377 VanDerWaalsContact O-CG 3.3Å; I373-L377 WeakPolarHBondContact O-CG 3.45Å; I373-L377 PolarHBondContact O-N 2.82Å
374	K	97.3	Very high	95.2	Very high	135 Å²	135	73.3 Å²	73.3	59%	0.587	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-47.5	177.8	-176	-180	176.9	-177.9	0	112	F370 H371 G376 L377 E378	F370-K374 PolarHBondContact O-N 3.05Å; F370-K374 VanDerWaalsContact O-N 3.17Å; H371-K374 PolarHBondContact O-N 2.9Å; H371-K374 VanDerWaalsContact O-N 3.15Å; K374-G376 VanDerWaalsContact C-N 3.34Å; K374-G376 PolarHBondContact O-N 2.97Å; K374-L377 PolarHBondContact O-N 3.44Å; K374-E378 WeakPolarHBondContact O-CB 3.39Å; K374-E378 PolarHBondContact O-N 3.28Å
375	I	96.7	Very high	95.3	Very high	32 Å²	32	72.3 Å²	72.3	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-45.6	178	-68.2	166.8	0	0	0	110.3	A366 H371 M372 I373 E378 W379	A366-I375 HydrophobicContact CB-CD1 3.82Å; H371-I375 WeakPolarHBondContact O-CB 3.18Å; H371-I375 WeakPolarHBondContact O-CG1 3.49Å; H371-I375 PolarHBondContact O-N 3.07Å; M372-I375 PolarHBondContact O-N 3.27Å; I373-I375 PolarHBondContact O-N 3.49Å; I375-E378 PolarHBondContact O-N 3.42Å; I375-W379 WeakPolarHBondContact O-CB 3.34Å; I375-W379 PolarHBondContact O-N 3.1Å
376	G	96.9	Very high	95.3	Very high	15 Å²	15	72.3 Å²	72.3	16%	0.155	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-47.2	177.1	0	0	0	0	0	111.9	M372 I373 K374 W379 L380	M372-G376 PolarHBondContact O-N 3.48Å; I373-G376 PolarHBondContact O-N 2.93Å; K374-G376 VanDerWaalsContact C-N 3.34Å; K374-G376 PolarHBondContact O-N 2.97Å; G376-W379 PolarHBondContact O-N 3.33Å; G376-L380 WeakPolarHBondContact O-CB 3.47Å; G376-L380 WeakPolarHBondContact O-CD1 3.41Å; G376-L380 WeakPolarHBondContact O-CG 3.44Å; G376-L380 PolarHBondContact O-N 2.74Å
377	L	97.4	Very high	95.5	Very high	106 Å²	106	71.5 Å²	71.5	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-63.7	-44.4	178.5	-72.8	173	0	0	0	112.4	I373 K374 L380 T381	I373-L377 HydrophobicContact CG2-CD1 3.86Å; I373-L377 HydrophobicContact CG2-CG 4.31Å; I373-L377 WeakPolarHBondContact O-CB 3.4Å; I373-L377 VanDerWaalsContact O-CG 3.3Å; I373-L377 WeakPolarHBondContact O-CG 3.45Å; I373-L377 PolarHBondContact O-N 2.82Å; K374-L377 PolarHBondContact O-N 3.44Å; L377-L380 PolarHBondContact O-N 3.23Å; L377-T381 WeakPolarHBondContact O-CB 3.32Å; L377-T381 WeakPolarHBondContact O-CG2 3.29Å; L377-T381 PolarHBondContact O-N 3.43Å; L377-T381 PolarHBondContact O-OG1 2.96Å
378	E	97.9	Very high	95.8	Very high	67 Å²	67	69 Å²	69	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-48.5	176.3	-173.3	-176.7	166.3	0	0	110.9	K374 I375 L380 T381 L382 T384 G385	K374-E378 WeakPolarHBondContact O-CB 3.39Å; K374-E378 PolarHBondContact O-N 3.28Å; I375-E378 PolarHBondContact O-N 3.42Å; E378-L380 PolarHBondContact O-N 2.74Å; E378-T381 PolarHBondContact O-N 3.01Å; E378-T381 PolarHBondContact O-OG1 2.49Å; E378-T381 VanDerWaalsContact O-OG1 3.07Å; E378-L382 PolarHBondContact O-N 2.85Å; E378-T384 PolarHBondContact OE1-OG1 3.42Å; E378-G385 WeakPolarHBondContact OE1-CA 3.11Å; E378-G385 PolarHBondContact OE1-N 3.42Å
379	W	98.1	Very high	96	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-41.1	179.3	-174	90.4	0	0	0	112.1	W97 H100 M101 G246 K247 I375 G376 T381 F383	W97-W379 HydrophobicContact CB-CZ3 3.98Å; H100-W379 HydrophobicContact CB-CH2 3.86Å; H100-W379 HydrophobicContact CB-CZ2 4.15Å; H100-W379 WeakPolarHBondContact O-CZ2 3.49Å; M101-W379 VanDerWaalsContact CA-CZ2 3.48Å; M101-W379 HydrophobicContact CB-CD2 3.94Å; M101-W379 HydrophobicContact CB-CE3 4.19Å; M101-W379 HydrophobicContact CB-CH2 4.12Å; M101-W379 HydrophobicContact CB-CZ2 3.86Å; M101-W379 HydrophobicContact CB-CZ3 4.27Å; M101-W379 HydrophobicContact CE-CB 3.9Å; M101-W379 HydrophobicContact CE-CD2 3.7Å; M101-W379 HydrophobicContact CE-CE3 3.53Å; M101-W379 HydrophobicContact CE-CG 3.86Å; M101-W379 HydrophobicContact CE-CZ3 4.32Å; M101-W379 HydrophobicContact CG-CD2 3.89Å; M101-W379 HydrophobicContact CG-CE3 4.44Å; M101-W379 HydrophobicContact CG-CG 3.98Å; G246-W379 PolarHBondContact O-NE1 2.9Å; K247-W379 HydrophobicContact CG-CZ2 3.99Å; I375-W379 WeakPolarHBondContact O-CB 3.34Å; I375-W379 PolarHBondContact O-N 3.1Å; G376-W379 PolarHBondContact O-N 3.33Å; W379-T381 PolarHBondContact O-N 2.72Å; W379-F383 AromaticContact CD2-CD1 3.93Å; W379-F383 HydrophobicContact CD2-CD1 3.93Å; W379-F383 HydrophobicContact CD2-CE1 4.45Å; W379-F383 AromaticContact CE2-CD1 3.64Å; W379-F383 HydrophobicContact CE3-CD1 4.21Å; W379-F383 HydrophobicContact CE3-CE1 4.29Å; W379-F383 AromaticContact CH2-CD1 4Å; W379-F383 HydrophobicContact CH2-CD1 4Å; W379-F383 AromaticContact CH2-CE1 3.73Å; W379-F383 HydrophobicContact CH2-CE1 3.73Å; W379-F383 AromaticContact CZ2-CD1 3.68Å; W379-F383 HydrophobicContact CZ2-CD1 3.68Å; W379-F383 AromaticContact CZ2-CE1 3.88Å; W379-F383 HydrophobicContact CZ2-CE1 3.88Å; W379-F383 HydrophobicContact CZ3-CD1 4.25Å; W379-F383 AromaticContact CZ3-CE1 3.95Å; W379-F383 HydrophobicContact CZ3-CE1 3.95Å; W379-F383 VanDerWaalsContact O-CA 3.31Å; W379-F383 WeakPolarHBondContact O-CA 3.17Å; W379-F383 WeakPolarHBondContact O-CD1 3.48Å; W379-F383 PolarHBondContact O-N 3.32Å
380	L	97.1	Very high	96	Very high	63 Å²	63	62.4 Å²	62.4	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-23.9	178.1	-75.5	169.7	0	0	0	112.4	R94 G376 L377 E378	R94-L380 HydrophobicContact CB-CD2 3.82Å; R94-L380 VanDerWaalsContact CD-O 3.23Å; R94-L380 WeakPolarHBondContact CD-O 3.39Å; R94-L380 HydrophobicContact CG-CD2 4.24Å; R94-L380 PolarHBondContact NE-O 3Å; G376-L380 WeakPolarHBondContact O-CB 3.47Å; G376-L380 WeakPolarHBondContact O-CD1 3.41Å; G376-L380 WeakPolarHBondContact O-CG 3.44Å; G376-L380 PolarHBondContact O-N 2.74Å; L377-L380 PolarHBondContact O-N 3.23Å; E378-L380 PolarHBondContact O-N 2.74Å
381	T	96.4	Very high	95.9	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-93.9	-52.2	178.1	49.7	0	0	0	0	111.2	R94 L377 E378 W379	R94-T381 PolarHBondContact NH2-O 3.08Å; R94-T381 VanDerWaalsContact NH2-O 3.15Å; L377-T381 WeakPolarHBondContact O-CB 3.32Å; L377-T381 WeakPolarHBondContact O-CG2 3.29Å; L377-T381 PolarHBondContact O-N 3.43Å; L377-T381 PolarHBondContact O-OG1 2.96Å; E378-T381 PolarHBondContact O-N 3.01Å; E378-T381 PolarHBondContact O-OG1 2.49Å; E378-T381 VanDerWaalsContact O-OG1 3.07Å; W379-T381 PolarHBondContact O-N 2.72Å
382	L	97	Very high	95.9	Very high	116 Å²	116	54.3 Å²	54.3	61%	0.607	29%	0.288	S	S	*	.	H	α-helix	trans	-111.3	-14.6	-166.2	-57.7	178.1	0	0	0	114.8	E378 T384	E378-L382 PolarHBondContact O-N 2.85Å; L382-T384 VanDerWaalsContact C-N 3.25Å; L382-T384 HydrophobicContact CB-CG2 4.07Å; L382-T384 WeakPolarHBondContact CB-OG1 3.16Å; L382-T384 PolarHBondContact O-N 3.13Å
383	F	96.8	Very high	95.9	Very high	36 Å²	36	50.9 Å²	50.9	16%	0.158	27%	0.271	C	S	.	.	S	Bend	trans	56.4	36.9	-167.4	-55.3	-57.7	0	0	0	113.3	R94 G246 K247 W379	R94-F383 HydrophobicContact CG-CE1 3.8Å; R94-F383 HydrophobicContact CG-CZ 3.78Å; R94-F383 VanDerWaalsContact NH2-CE2 3.33Å; G246-F383 WeakPolarHBondContact CA-O 3.46Å; K247-F383 HydrophobicContact CD-CD1 4.31Å; K247-F383 HydrophobicContact CD-CD2 4.28Å; K247-F383 HydrophobicContact CD-CE1 4.3Å; K247-F383 HydrophobicContact CD-CE2 4.26Å; K247-F383 HydrophobicContact CD-CG 4.29Å; K247-F383 HydrophobicContact CD-CZ 4.26Å; K247-F383 HydrophobicContact CG-CD1 4.03Å; K247-F383 HydrophobicContact CG-CE1 4.31Å; K247-F383 HydrophobicContact CG-CG 4.23Å; W379-F383 AromaticContact CD2-CD1 3.93Å; W379-F383 HydrophobicContact CD2-CD1 3.93Å; W379-F383 HydrophobicContact CD2-CE1 4.45Å; W379-F383 AromaticContact CE2-CD1 3.64Å; W379-F383 HydrophobicContact CE3-CD1 4.21Å; W379-F383 HydrophobicContact CE3-CE1 4.29Å; W379-F383 AromaticContact CH2-CD1 4Å; W379-F383 HydrophobicContact CH2-CD1 4Å; W379-F383 AromaticContact CH2-CE1 3.73Å; W379-F383 HydrophobicContact CH2-CE1 3.73Å; W379-F383 AromaticContact CZ2-CD1 3.68Å; W379-F383 HydrophobicContact CZ2-CD1 3.68Å; W379-F383 AromaticContact CZ2-CE1 3.88Å; W379-F383 HydrophobicContact CZ2-CE1 3.88Å; W379-F383 HydrophobicContact CZ3-CD1 4.25Å; W379-F383 AromaticContact CZ3-CE1 3.95Å; W379-F383 HydrophobicContact CZ3-CE1 3.95Å; W379-F383 VanDerWaalsContact O-CA 3.31Å; W379-F383 WeakPolarHBondContact O-CA 3.17Å; W379-F383 WeakPolarHBondContact O-CD1 3.48Å; W379-F383 PolarHBondContact O-N 3.32Å
384	T	95.8	Very high	96	Very high	61 Å²	61	45.8 Å²	45.8	37%	0.374	25%	0.245	S	C	.	.			trans	-120.7	-178.4	178.8	60.8	0	0	0	0	111.8	E378 L382	E378-T384 PolarHBondContact OE1-OG1 3.42Å; L382-T384 VanDerWaalsContact C-N 3.25Å; L382-T384 HydrophobicContact CB-CG2 4.07Å; L382-T384 WeakPolarHBondContact CB-OG1 3.16Å; L382-T384 PolarHBondContact O-N 3.13Å
385	G	94.3	Very high	96	Very high	32 Å²	32	39.3 Å²	39.3	33%	0.33	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	78.3	-162	171.2	0	0	0	0	0	114.1	E378 G387 A388	E378-G385 WeakPolarHBondContact OE1-CA 3.11Å; E378-G385 PolarHBondContact OE1-N 3.42Å; G385-G387 PolarHBondContact O-N 2.83Å; G385-G387 VanDerWaalsContact O-N 3.09Å; G385-A388 VanDerWaalsContact O-CB 3.29Å; G385-A388 WeakPolarHBondContact O-CB 3.45Å; G385-A388 PolarHBondContact O-N 2.79Å
386	Y	93.9	Very high	96	Very high	122 Å²	122	37.8 Å²	37.8	48%	0.478	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.8	-21.4	-174.7	-85.1	-119.6	0	0	0	113.6	A103 L363 A366 A388 H391	A103-Y386 WeakPolarHBondContact CB-O 3.18Å; L363-Y386 HydrophobicContact CD2-CD1 3.91Å; L363-Y386 HydrophobicContact CD2-CE1 3.81Å; A366-Y386 HydrophobicContact CB-CD1 4.27Å; Y386-A388 VanDerWaalsContact C-N 3.28Å; Y386-H391 AromaticContact CD1-CE1 3.82Å; Y386-H391 PolarHBondContact O-NE2 2.93Å
387	G	95.6	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-73.6	-20.9	175.8	0	0	0	0	0	113.3	M101 P102 A103 G385	M101-G387 WeakPolarHBondContact CG-O 3.43Å; P102-G387 WeakPolarHBondContact CD-O 2.9Å; A103-G387 PolarHBondContact N-O 3.46Å; G385-G387 PolarHBondContact O-N 2.83Å; G385-G387 VanDerWaalsContact O-N 3.09Å
388	A	96	Very high	96.1	Very high	16 Å²	16	32.1 Å²	32.1	13%	0.132	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-89.4	1.4	-169.4	0	0	0	0	0	114.8	G385 Y386	G385-A388 VanDerWaalsContact O-CB 3.29Å; G385-A388 WeakPolarHBondContact O-CB 3.45Å; G385-A388 PolarHBondContact O-N 2.79Å; Y386-A388 VanDerWaalsContact C-N 3.28Å
389	T	94.1	Very high	96.1	Very high	27 Å²	27	29 Å²	29	17%	0.166	16%	0.161	C	C	.	.			trans	-131.4	158.3	175.4	-175.9	0	0	0	0	112.1	P102 A103 H391 E393	P102-T389 CarbonylContact C-O 3.26Å; P102-T389 WeakPolarHBondContact CB-O 3.36Å; A103-T389 WeakPolarHBondContact CA-O 3.4Å; A103-T389 PolarHBondContact N-O 3.26Å; A103-T389 VanDerWaalsContact N-O 3.16Å; T389-H391 VanDerWaalsContact C-N 3.34Å; T389-H391 WeakPolarHBondContact CG2-CE1 3.41Å; T389-H391 PolarHBondContact O-CD2 3.37Å; T389-H391 PolarHBondContact OG1-N 2.73Å; T389-E393 PolarHBondContact OG1-OE1 2.72Å
390	A	92.8	Very high	96	Very high	12 Å²	12	29.2 Å²	29.2	10%	0.099	16%	0.162	C	C	.	.			trans	-80.7	-15.5	172.3	0	0	0	0	0	113	M148 M241 I243 L392	M148-A390 HydrophobicContact CE-CB 3.49Å; M148-A390 VanDerWaalsContact CE-CB 3.49Å; M241-A390 HydrophobicContact SD-CB 3.97Å; I243-A390 HydrophobicContact CD1-CB 4.42Å; A390-L392 VanDerWaalsContact C-N 3.28Å
391	H	94.8	Very high	96	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.093	16%	0.162	C	C	.	.	S	Bend	trans	66.8	22	-173.9	-54.1	-87	0	0	0	114.8	L363 Y386 T389 E393 L414	L363-H391 HydrophobicContact CD1-CB 3.67Å; L363-H391 VanDerWaalsContact CD1-CG 3.49Å; Y386-H391 AromaticContact CD1-CE1 3.82Å; Y386-H391 PolarHBondContact O-NE2 2.93Å; T389-H391 VanDerWaalsContact C-N 3.34Å; T389-H391 WeakPolarHBondContact CG2-CE1 3.41Å; T389-H391 PolarHBondContact O-CD2 3.37Å; T389-H391 PolarHBondContact OG1-N 2.73Å; H391-E393 WeakPolarHBondContact CA-OE1 3.42Å; H391-E393 WeakPolarHBondContact CA-OE2 3.49Å; H391-L414 HydrophobicContact CB-CD1 3.95Å; H391-L414 VanDerWaalsContact O-CD1 3.27Å; H391-L414 WeakPolarHBondContact O-CD1 3.35Å
392	L	94.3	Very high	96	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.073	15%	0.153	C	C	.	.			trans	-110.1	47.2	177.6	-66.4	169.8	0	0	0	111.1	A147 V149 A390 S394 H412 L414	A147-L392 HydrophobicContact CB-CD1 3.74Å; V149-L392 HydrophobicContact CG2-CB 4.04Å; V149-L392 HydrophobicContact CG2-CD1 3.8Å; A390-L392 VanDerWaalsContact C-N 3.28Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 2.9Å; L392-H412 HydrophobicContact CD2-CB 4.13Å; L392-L414 HydrophobicContact CD2-CB 4.07Å; L392-L414 HydrophobicContact CD2-CD1 3.86Å; L392-L414 HydrophobicContact CD2-CG 4.47Å; L392-L414 HydrophobicContact CG-CD1 4.32Å
393	E	95.6	Very high	95.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	15%	0.153	C	C	.	.			trans	-76.1	-15.7	-171.6	-66.9	79.9	-175.4	0	0	114.4	T205 H210 W238 M239 M241 T389 H391	T205-E393 HydrophobicContact CG2-CB 3.68Å; T205-E393 HydrophobicContact CG2-CG 3.8Å; H210-E393 IonicContact CE1-OE2 3.67Å; H210-E393 PolarHBondContact CE1-OE2 2.75Å; H210-E393 IonicContact ND1-OE2 2.7Å; H210-E393 IonicContact NE2-OE2 3.18Å; H210-E393 PolarHBondContact NE2-OE2 3.34Å; W238-E393 CarbonylContact C-O 3.5Å; W238-E393 WeakPolarHBondContact CA-O 3.36Å; M239-E393 PolarHBondContact N-O 2.56Å; M241-E393 HydrophobicContact CE-CG 3.97Å; T389-E393 PolarHBondContact OG1-OE1 2.72Å; H391-E393 WeakPolarHBondContact CA-OE1 3.42Å; H391-E393 WeakPolarHBondContact CA-OE2 3.49Å
394	S	97.1	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.7	-178.6	64.2	0	0	0	0	112.3	H210 G237 L392 F413	H210-S394 PolarHBondContact ND1-N 2.97Å; H210-S394 PolarHBondContact ND1-OG 2.95Å; G237-S394 VanDerWaalsContact O-CA 3.29Å; G237-S394 WeakPolarHBondContact O-CA 3.29Å; G237-S394 WeakPolarHBondContact O-CB 3.38Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 2.9Å; S394-F413 WeakPolarHBondContact O-CB 3.14Å; S394-F413 PolarHBondContact O-N 3.03Å
395	G	97.2	Very high	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-152.5	177.9	0	0	0	0	0	110.7	M228 V236 G237 F411	M228-G395 VanDerWaalsContact CE-C 3.46Å; M228-G395 WeakPolarHBondContact CE-O 3.5Å; V236-G395 WeakPolarHBondContact CA-O 3.41Å; G237-G395 PolarHBondContact N-O 3.05Å; G237-G395 PolarHBondContact O-N 2.79Å; G395-F411 CarbonylContact C-O 3.57Å; G395-F411 WeakPolarHBondContact CA-O 3.14Å
396	G	97.4	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	168	179.5	0	0	0	0	0	114.5	G235 Q410 F411	G235-G396 CarbonylContact O-C 3.46Å; G235-G396 WeakPolarHBondContact O-CA 3.32Å; G396-Q410 CarbonylContact O-C 3.59Å; G396-Q410 WeakPolarHBondContact O-CA 3.46Å; G396-F411 PolarHBondContact N-O 3.06Å; G396-F411 PolarHBondContact O-N 3.07Å
397	F	98.5	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.6	172	-71.3	-91.9	0	0	0	109	I151 M228 Q233 E234 G235 P407 I409 Q410 M438	I151-F397 HydrophobicContact CD1-CE2 3.79Å; I151-F397 HydrophobicContact CD1-CZ 4.12Å; I151-F397 HydrophobicContact CG1-CE2 4.34Å; I151-F397 HydrophobicContact CG1-CZ 4.19Å; I151-F397 HydrophobicContact CG2-CE2 4.42Å; I151-F397 HydrophobicContact CG2-CZ 3.82Å; M228-F397 HydrophobicContact CB-CE2 4.4Å; M228-F397 HydrophobicContact CG-CD2 4.38Å; M228-F397 HydrophobicContact SD-CD2 4.07Å; M228-F397 HydrophobicContact SD-CE2 4Å; Q233-F397 HydrophobicContact CG-CB 3.96Å; Q233-F397 HydrophobicContact CG-CD1 4.35Å; Q233-F397 HydrophobicContact CG-CD2 3.69Å; Q233-F397 HydrophobicContact CG-CE2 4.26Å; Q233-F397 HydrophobicContact CG-CG 3.74Å; E234-F397 CarbonylContact C-O 3.55Å; E234-F397 WeakPolarHBondContact CA-O 3.26Å; G235-F397 PolarHBondContact N-O 3.19Å; G235-F397 PolarHBondContact O-N 3.35Å; F397-P407 HydrophobicContact CB-CB 3.79Å; F397-P407 HydrophobicContact CB-CG 3.85Å; F397-I409 CarbonylContact C-O 3.58Å; F397-I409 WeakPolarHBondContact CA-O 3.29Å; F397-Q410 HydrophobicContact CD1-CB 4.01Å; F397-Q410 HydrophobicContact CD1-CG 4.18Å; F397-Q410 HydrophobicContact CE1-CB 3.67Å; F397-Q410 HydrophobicContact CE1-CG 3.56Å; F397-Q410 HydrophobicContact CE2-CG 4.25Å; F397-Q410 HydrophobicContact CZ-CB 4.25Å; F397-Q410 VanDerWaalsContact CZ-CD 3.43Å; F397-Q410 HydrophobicContact CZ-CG 3.6Å; F397-M438 HydrophobicContact CE1-CG 4.47Å
398	I	97.8	Very high	96	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	164	178	75	-179.8	0	0	0	110.6	Y222 P407 D408 I409 F411 L479	Y222-I398 HydrophobicContact CD1-CB 3.99Å; Y222-I398 HydrophobicContact CD1-CD1 4.41Å; Y222-I398 HydrophobicContact CD1-CG2 3.61Å; Y222-I398 HydrophobicContact CD2-CG2 4.43Å; Y222-I398 HydrophobicContact CE1-CB 4Å; Y222-I398 HydrophobicContact CE1-CD1 3.73Å; Y222-I398 HydrophobicContact CE1-CG1 4.38Å; Y222-I398 HydrophobicContact CE1-CG2 4.01Å; Y222-I398 HydrophobicContact CE2-CD1 4.24Å; Y222-I398 HydrophobicContact CG-CG2 3.85Å; I398-P407 VanDerWaalsContact C-CB 3.44Å; I398-P407 CarbonylContact O-C 3.57Å; I398-P407 WeakPolarHBondContact O-CA 3.36Å; I398-P407 WeakPolarHBondContact O-CB 3.45Å; I398-D408 PolarHBondContact O-N 2.74Å; I398-I409 HydrophobicContact CG1-CB 4Å; I398-I409 HydrophobicContact CG1-CD1 4.48Å; I398-I409 HydrophobicContact CG1-CG2 4.36Å; I398-I409 PolarHBondContact N-O 3.33Å; I398-I409 PolarHBondContact O-N 2.92Å; I398-F411 HydrophobicContact CB-CE2 4.44Å; I398-F411 HydrophobicContact CD1-CE2 3.48Å; I398-F411 VanDerWaalsContact CD1-CE2 3.48Å; I398-F411 HydrophobicContact CD1-CZ 3.6Å; I398-F411 HydrophobicContact CG1-CE2 3.64Å; I398-F411 HydrophobicContact CG1-CZ 4.19Å; I398-F411 HydrophobicContact CG2-CE2 4.11Å; I398-L479 HydrophobicContact CD1-CB 4.18Å; I398-L479 HydrophobicContact CD1-CD1 3.85Å; I398-L479 HydrophobicContact CD1-CG 4.49Å
399	R	97.4	Very high	96.1	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.011	12%	0.119	C	C	.	.			trans	-82.3	139	170.1	-66.4	-178.9	-72.5	147.5	1	110.2	E234 V404 P407 D408 T603 Q604	E234-R399 IonicContact OE1-CZ 3.5Å; E234-R399 IonicContact OE1-NE 3.04Å; E234-R399 PolarHBondContact OE1-NE 3.35Å; E234-R399 IonicContact OE1-NH2 3.28Å; E234-R399 IonicContact OE2-NE 2.88Å; R399-V404 HydrophobicContact CB-CB 4.4Å; R399-V404 WeakPolarHBondContact CD-O 3.32Å; R399-V404 HydrophobicContact CG-CB 4.34Å; R399-P407 HydrophobicContact CG-CB 4.49Å; R399-D408 WeakPolarHBondContact CA-OD1 3.36Å; R399-T603 PolarHBondContact NH1-O 3.18Å; R399-T603 PolarHBondContact NH2-O 2.83Å; R399-Q604 HydrophobicContact CB-CG 4.41Å; R399-Q604 VanDerWaalsContact CZ-O 3.26Å; R399-Q604 PolarHBondContact NE-O 3.22Å; R399-Q604 VanDerWaalsContact NH2-C 3.3Å; R399-Q604 PolarHBondContact NH2-O 3.15Å; R399-Q604 WeakPolarHBondContact O-CG 3.4Å; R399-Q604 PolarHBondContact O-NE2 3.47Å
400	S	96.7	Very high	96.3	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	-73.9	-29.2	178.5	65.2	0	0	0	0	112.6	D408 Q604	S400-D408 WeakPolarHBondContact CB-OD1 3.29Å; S400-D408 WeakPolarHBondContact CB-OD2 3.47Å; S400-D408 PolarHBondContact N-OD1 3.25Å; S400-D408 PolarHBondContact OG-OD1 2.97Å; S400-D408 PolarHBondContact OG-OD2 3.36Å; S400-Q604 PolarHBondContact O-NE2 2.98Å
401	R	95.8	Very high	96.6	Very high	87 Å²	87	20.9 Å²	20.9	33%	0.328	11%	0.106	S	C	.	.	S	Bend	trans	-157.9	171.5	-179.3	53.3	174.7	-174.8	-97.1	-6.1	112.4	V404 W471 E472	R401-V404 HydrophobicContact CG-CG2 3.63Å; R401-V404 WeakPolarHBondContact O-CG2 3.12Å; R401-W471 HydrophobicContact CB-CH2 3.76Å; R401-W471 HydrophobicContact CG-CH2 3.85Å; R401-W471 HydrophobicContact CG-CZ3 4.23Å; R401-W471 VanDerWaalsContact NH1-CE3 3.31Å; R401-E472 IonicContact NH1-OE1 3.97Å
402	P	96.5	Very high	96.7	Very high	50 Å²	50	20.2 Å²	20.2	33%	0.325	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	156.2	162	-28.3	37	0	0	0	113.4	V404 L601 E602	P402-V404 PolarHBondContact O-N 2.84Å; P402-V404 VanDerWaalsContact O-N 3.13Å; P402-L601 CarbonylContact C-O 3.59Å; P402-L601 WeakPolarHBondContact CA-O 3.35Å; P402-E602 WeakPolarHBondContact CB-O 3.37Å
403	H	95.6	Very high	96.9	Very high	131 Å²	131	19.6 Å²	19.6	61%	0.606	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	-1.6	176.3	-49.1	-64.8	0	0	0	116.4	T405 L601	H403-T405 PolarHBondContact O-N 3.31Å; H403-L601 PolarHBondContact N-O 3Å
404	V	94.6	Very high	96.9	Very high	18 Å²	18	20.3 Å²	20.3	11%	0.109	10%	0.103	C	C	.	.			trans	-70.5	125.6	166.8	-169.1	0	0	0	0	108.7	R399 R401 P402 H406 D408 L601	R399-V404 HydrophobicContact CB-CB 4.4Å; R399-V404 WeakPolarHBondContact CD-O 3.32Å; R399-V404 HydrophobicContact CG-CB 4.34Å; R401-V404 HydrophobicContact CG-CG2 3.63Å; R401-V404 WeakPolarHBondContact O-CG2 3.12Å; P402-V404 PolarHBondContact O-N 2.84Å; P402-V404 VanDerWaalsContact O-N 3.13Å; V404-H406 VanDerWaalsContact C-N 3.29Å; V404-H406 WeakPolarHBondContact CG1-O 2.93Å; V404-H406 PolarHBondContact O-N 2.95Å; V404-D408 HydrophobicContact CG1-CB 4.36Å; V404-L601 WeakPolarHBondContact O-CD2 3.21Å
405	T	93.8	Very high	96.9	Very high	90 Å²	90	20.3 Å²	20.3	55%	0.552	10%	0.103	S	C	*	.	S	Bend	trans	-72.3	-19.1	-170.6	55.6	0	0	0	0	114.6	H403	H403-T405 PolarHBondContact O-N 3.31Å
406	H	95.9	Very high	96.7	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.06	11%	0.105	C	C	.	.	S	Bend	trans	-160.7	157.5	-179.7	59	-73.8	0	0	0	109.4	H154 D157 V404 D408 R439	H154-H406 WeakPolarHBondContact CE1-CB 3.41Å; H154-H406 AromaticContact CE1-CG 3.92Å; H154-H406 AromaticContact CG-CD2 3.59Å; H154-H406 AromaticContact CG-CG 3.99Å; H154-H406 WeakPolarHBondContact ND1-CB 2.97Å; H154-H406 AromaticContact ND1-CD2 3.45Å; H154-H406 PolarHBondContact ND1-CD2 2.98Å; H154-H406 AromaticContact ND1-CG 3.5Å; D157-H406 IonicContact OD1-NE2 3.54Å; V404-H406 VanDerWaalsContact C-N 3.29Å; V404-H406 WeakPolarHBondContact CG1-O 2.93Å; V404-H406 PolarHBondContact O-N 2.95Å; H406-D408 PolarHBondContact O-N 3.25Å; H406-R439 VanDerWaalsContact CD2-CZ 3.44Å; H406-R439 PolarHBondContact CD2-NH1 2.73Å; H406-R439 VanDerWaalsContact CD2-NH1 3.26Å; H406-R439 PolarHBondContact NE2-NE 3.47Å; H406-R439 PolarHBondContact NE2-NH1 3.02Å; H406-R439 PolarHBondContact O-NH2 2.87Å
407	P	97.2	Very high	96.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.109	C	C	.	.			trans	-59	133.3	-172.7	25.7	-37.8	0	0	0	112.7	E234 F397 I398 R399 R439	E234-P407 HydrophobicContact CB-CB 4.49Å; E234-P407 HydrophobicContact CB-CG 4Å; E234-P407 HydrophobicContact CG-CB 4.39Å; E234-P407 HydrophobicContact CG-CG 4.42Å; F397-P407 HydrophobicContact CB-CB 3.79Å; F397-P407 HydrophobicContact CB-CG 3.85Å; I398-P407 VanDerWaalsContact C-CB 3.44Å; I398-P407 CarbonylContact O-C 3.57Å; I398-P407 WeakPolarHBondContact O-CA 3.36Å; I398-P407 WeakPolarHBondContact O-CB 3.45Å; R399-P407 HydrophobicContact CG-CB 4.49Å; P407-R439 PolarHBondContact O-NH1 3.08Å; P407-R439 PolarHBondContact O-NH2 3.11Å
408	D	97.1	Very high	95.7	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.027	12%	0.116	C	C	.	.			trans	-111.9	-10.5	-178.9	46	0.6	0	0	0	113.5	I398 R399 S400 V404 H406 P437 M438 R439	I398-D408 PolarHBondContact O-N 2.74Å; R399-D408 WeakPolarHBondContact CA-OD1 3.36Å; S400-D408 WeakPolarHBondContact CB-OD1 3.29Å; S400-D408 WeakPolarHBondContact CB-OD2 3.47Å; S400-D408 PolarHBondContact N-OD1 3.25Å; S400-D408 PolarHBondContact OG-OD1 2.97Å; S400-D408 PolarHBondContact OG-OD2 3.36Å; V404-D408 HydrophobicContact CG1-CB 4.36Å; H406-D408 PolarHBondContact O-N 3.25Å; D408-P437 CarbonylContact O-C 3.54Å; D408-P437 VanDerWaalsContact O-CA 3.29Å; D408-P437 WeakPolarHBondContact O-CA 3.22Å; D408-M438 WeakPolarHBondContact O-CB 3.35Å; D408-M438 PolarHBondContact O-N 3.36Å; D408-R439 VanDerWaalsContact CB-NH2 3.25Å
409	I	98.3	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.8	176.5	-63.5	176.2	0	0	0	109.2	F397 I398 F411 V435 G436 L479	F397-I409 CarbonylContact C-O 3.58Å; F397-I409 WeakPolarHBondContact CA-O 3.29Å; I398-I409 HydrophobicContact CG1-CB 4Å; I398-I409 HydrophobicContact CG1-CD1 4.48Å; I398-I409 HydrophobicContact CG1-CG2 4.36Å; I398-I409 PolarHBondContact N-O 3.33Å; I398-I409 PolarHBondContact O-N 2.92Å; I409-F411 HydrophobicContact CG2-CD2 4.28Å; I409-F411 HydrophobicContact CG2-CE1 4.34Å; I409-F411 HydrophobicContact CG2-CE2 3.72Å; I409-F411 HydrophobicContact CG2-CZ 3.74Å; I409-V435 HydrophobicContact CG2-CG2 3.64Å; I409-G436 WeakPolarHBondContact CA-O 3.41Å; I409-L479 HydrophobicContact CD1-CD1 3.66Å
410	Q	98.5	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.2	170.6	-174.8	175.3	24.3	0	0	110.6	G396 F397 H412 V435 G436 M438 N566	G396-Q410 CarbonylContact O-C 3.59Å; G396-Q410 WeakPolarHBondContact O-CA 3.46Å; F397-Q410 HydrophobicContact CD1-CB 4.01Å; F397-Q410 HydrophobicContact CD1-CG 4.18Å; F397-Q410 HydrophobicContact CE1-CB 3.67Å; F397-Q410 HydrophobicContact CE1-CG 3.56Å; F397-Q410 HydrophobicContact CE2-CG 4.25Å; F397-Q410 HydrophobicContact CZ-CB 4.25Å; F397-Q410 VanDerWaalsContact CZ-CD 3.43Å; F397-Q410 HydrophobicContact CZ-CG 3.6Å; Q410-H412 PolarHBondContact NE2-CE1 2.89Å; Q410-H412 PolarHBondContact NE2-NE2 2.82Å; Q410-H412 PolarHBondContact OE1-CE1 3.42Å; Q410-V435 VanDerWaalsContact O-CA 3.29Å; Q410-V435 WeakPolarHBondContact O-CA 3.1Å; Q410-V435 WeakPolarHBondContact O-CG2 3.39Å; Q410-G436 PolarHBondContact N-O 3.1Å; Q410-G436 PolarHBondContact O-N 2.85Å; Q410-M438 HydrophobicContact CB-CE 3.68Å; Q410-M438 HydrophobicContact CB-CG 3.75Å; Q410-M438 HydrophobicContact CB-SD 3.49Å; Q410-M438 WeakPolarHBondContact CB-SD 3.33Å; Q410-M438 HydrophobicContact CG-SD 4.35Å; Q410-M438 PolarHBondContact OE1-SD 3.43Å; Q410-N566 PolarHBondContact NE2-OD1 2.94Å
411	F	98.4	Very high	93.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	168.5	-55.9	-93.1	0	0	0	110.6	F213 M239 G395 G396 I398 I409 V433 H434 V435 S480 I483	F213-F411 HydrophobicContact CZ-CB 4.04Å; F213-F411 HydrophobicContact CZ-CG 4.43Å; M239-F411 WeakPolarHBondContact CE-O 3.37Å; G395-F411 CarbonylContact C-O 3.57Å; G395-F411 WeakPolarHBondContact CA-O 3.14Å; G396-F411 PolarHBondContact N-O 3.06Å; G396-F411 PolarHBondContact O-N 3.07Å; I398-F411 HydrophobicContact CB-CE2 4.44Å; I398-F411 HydrophobicContact CD1-CE2 3.48Å; I398-F411 VanDerWaalsContact CD1-CE2 3.48Å; I398-F411 HydrophobicContact CD1-CZ 3.6Å; I398-F411 HydrophobicContact CG1-CE2 3.64Å; I398-F411 HydrophobicContact CG1-CZ 4.19Å; I398-F411 HydrophobicContact CG2-CE2 4.11Å; I409-F411 HydrophobicContact CG2-CD2 4.28Å; I409-F411 HydrophobicContact CG2-CE1 4.34Å; I409-F411 HydrophobicContact CG2-CE2 3.72Å; I409-F411 HydrophobicContact CG2-CZ 3.74Å; F411-V433 HydrophobicContact CB-CG1 4.45Å; F411-V433 HydrophobicContact CD1-CB 4.21Å; F411-V433 HydrophobicContact CD1-CG1 4.3Å; F411-V433 HydrophobicContact CD1-CG2 4.26Å; F411-H434 CarbonylContact C-O 3.59Å; F411-H434 VanDerWaalsContact CA-O 3.32Å; F411-H434 WeakPolarHBondContact CA-O 3.46Å; F411-V435 HydrophobicContact CD1-CB 3.81Å; F411-V435 HydrophobicContact CD1-CG2 3.45Å; F411-V435 VanDerWaalsContact CD1-CG2 3.45Å; F411-V435 HydrophobicContact CE1-CB 4.1Å; F411-V435 HydrophobicContact CE1-CG2 3.35Å; F411-V435 HydrophobicContact CG-CG2 4.22Å; F411-V435 HydrophobicContact CZ-CG2 4.05Å; F411-S480 WeakPolarHBondContact CE1-OG 3.37Å; F411-I483 HydrophobicContact CE1-CD1 4.33Å; F411-I483 HydrophobicContact CE2-CD1 4.43Å; F411-I483 HydrophobicContact CZ-CD1 4.08Å
412	H	97.8	Very high	92.1	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	160.7	-47.2	82.7	0	0	0	109.2	E350 L392 Q410 V433 H434 N566	E350-H412 IonicContact OE1-CE1 2.68Å; E350-H412 PolarHBondContact OE1-CE1 2.92Å; E350-H412 IonicContact OE1-ND1 2.71Å; L392-H412 HydrophobicContact CD2-CB 4.13Å; Q410-H412 PolarHBondContact NE2-CE1 2.89Å; Q410-H412 PolarHBondContact NE2-NE2 2.82Å; Q410-H412 PolarHBondContact OE1-CE1 3.42Å; H412-V433 CarbonylContact O-C 3.47Å; H412-V433 VanDerWaalsContact O-CA 3.3Å; H412-V433 WeakPolarHBondContact O-CA 3.21Å; H412-H434 HydrophobicContact CB-CB 4.27Å; H412-H434 PolarHBondContact N-O 3.21Å; H412-H434 PolarHBondContact O-N 3.4Å; H412-N566 PolarHBondContact NE2-OD1 2.98Å
413	F	97.9	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136	178.3	-179	-97	0	0	0	110.7	L209 H210 F213 S394 P415 Y431 Q432 V433 F484 F489	L209-F413 HydrophobicContact CB-CE1 3.77Å; L209-F413 HydrophobicContact CB-CZ 3.79Å; L209-F413 WeakPolarHBondContact O-CE1 3.41Å; H210-F413 AromaticContact CE1-CD1 3.99Å; H210-F413 AromaticContact ND1-CD1 3.77Å; F213-F413 HydrophobicContact CB-CB 4.36Å; F213-F413 HydrophobicContact CB-CD1 4.12Å; F213-F413 HydrophobicContact CB-CD2 3.75Å; F213-F413 HydrophobicContact CB-CE1 4.4Å; F213-F413 HydrophobicContact CB-CE2 4.04Å; F213-F413 HydrophobicContact CB-CG 3.79Å; F213-F413 HydrophobicContact CB-CZ 4.36Å; F213-F413 HydrophobicContact CD1-CB 3.84Å; F213-F413 HydrophobicContact CD1-CG 4.21Å; F213-F413 HydrophobicContact CD2-CB 4.11Å; F213-F413 AromaticContact CD2-CD2 3.46Å; F213-F413 HydrophobicContact CD2-CD2 3.46Å; F213-F413 VanDerWaalsContact CD2-CD2 3.46Å; F213-F413 HydrophobicContact CD2-CE2 4.17Å; F213-F413 AromaticContact CD2-CG 3.98Å; F213-F413 HydrophobicContact CD2-CG 3.98Å; F213-F413 HydrophobicContact CE1-CB 4.19Å; F213-F413 HydrophobicContact CE2-CB 4.42Å; F213-F413 HydrophobicContact CE2-CD2 4.23Å; F213-F413 HydrophobicContact CG-CB 3.8Å; F213-F413 HydrophobicContact CG-CD1 4.46Å; F213-F413 AromaticContact CG-CD2 3.62Å; F213-F413 HydrophobicContact CG-CD2 3.62Å; F213-F413 HydrophobicContact CG-CE2 4.34Å; F213-F413 AromaticContact CG-CG 3.69Å; F213-F413 HydrophobicContact CG-CG 3.69Å; F213-F413 HydrophobicContact CZ-CB 4.45Å; S394-F413 WeakPolarHBondContact O-CB 3.14Å; S394-F413 PolarHBondContact O-N 3.03Å; F413-P415 HydrophobicContact CE1-CB 4.46Å; F413-Y431 AromaticContact CE2-CD2 3.84Å; F413-Y431 HydrophobicContact CE2-CD2 3.84Å; F413-Y431 HydrophobicContact CE2-CG 4.3Å; F413-Y431 HydrophobicContact CZ-CD2 4.19Å; F413-Y431 HydrophobicContact CZ-CG 4.22Å; F413-Q432 WeakPolarHBondContact CD2-O 3.47Å; F413-V433 HydrophobicContact CB-CG1 4.41Å; F413-V433 HydrophobicContact CD2-CG1 4.04Å; F413-F484 HydrophobicContact CD2-CE1 4.3Å; F413-F484 HydrophobicContact CE2-CE1 4.12Å; F413-F484 HydrophobicContact CE2-CZ 4.38Å; F413-F489 HydrophobicContact CE2-CE1 4.28Å; F413-F489 AromaticContact CE2-CZ 3.96Å; F413-F489 HydrophobicContact CE2-CZ 3.96Å; F413-F489 HydrophobicContact CZ-CE1 4.37Å; F413-F489 HydrophobicContact CZ-CZ 4.4Å
414	L	96.1	Very high	90.5	Very high	17 Å²	17	25.3 Å²	25.3	9%	0.089	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.8	177.6	-174.1	72.4	0	0	0	110.5	H391 L392 S416 V418 Y431 Q432	H391-L414 HydrophobicContact CB-CD1 3.95Å; H391-L414 VanDerWaalsContact O-CD1 3.27Å; H391-L414 WeakPolarHBondContact O-CD1 3.35Å; L392-L414 HydrophobicContact CD2-CB 4.07Å; L392-L414 HydrophobicContact CD2-CD1 3.86Å; L392-L414 HydrophobicContact CD2-CG 4.47Å; L392-L414 HydrophobicContact CG-CD1 4.32Å; L414-S416 PolarHBondContact O-N 3.39Å; L414-V418 HydrophobicContact CD2-CG2 3.61Å; L414-Y431 WeakPolarHBondContact O-CA 3.33Å; L414-Q432 HydrophobicContact CB-CG 4.08Å; L414-Q432 VanDerWaalsContact CD2-NE2 3.3Å; L414-Q432 PolarHBondContact N-O 3Å; L414-Q432 PolarHBondContact O-N 3.2Å
415	P	96.3	Very high	89.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-78.4	50.5	172.5	34.3	-37	0	0	0	111.5	L209 H210 T362 L363 F413 A430	L209-P415 HydrophobicContact CB-CB 4.39Å; L209-P415 HydrophobicContact CD1-CB 3.9Å; H210-P415 WeakPolarHBondContact NE2-CD 3.41Å; T362-P415 VanDerWaalsContact CB-O 3.31Å; T362-P415 WeakPolarHBondContact CB-O 3.49Å; L363-P415 HydrophobicContact CG-CG 4.42Å; L363-P415 WeakPolarHBondContact CG-O 3.39Å; L363-P415 PolarHBondContact N-O 3.04Å; F413-P415 HydrophobicContact CE1-CB 4.46Å; P415-A430 CarbonylContact C-O 3.28Å
416	S	93.2	Very high	89.5	Confident	6 Å²	6	25 Å²	25	4%	0.042	14%	0.141	C	C	.	.	S	Bend	trans	-156.7	153.3	177.4	-174.2	0	0	0	0	111.2	Q367 L414 A430 Q432	Q367-S416 PolarHBondContact NE2-OG 3.13Å; Q367-S416 VanDerWaalsContact NE2-OG 3.11Å; L414-S416 PolarHBondContact O-N 3.39Å; S416-A430 CarbonylContact C-O 3.35Å; S416-A430 VanDerWaalsContact C-O 3.27Å; S416-A430 WeakPolarHBondContact CA-O 3.42Å; S416-A430 PolarHBondContact N-O 3.36Å; S416-Q432 VanDerWaalsContact O-CD 3.26Å; S416-Q432 WeakPolarHBondContact O-CG 3.07Å; S416-Q432 PolarHBondContact O-NE2 3.11Å
417	Q	90.8	Very high	89	Confident	18 Å²	18	31.6 Å²	31.6	8%	0.084	17%	0.17	C	C	.	.			trans	-77	136.2	161.9	-155.6	176.5	22.4	0	0	110.5	Q354 I419 S426 A430	Q354-Q417 VanDerWaalsContact OE1-NE2 3.08Å; Q417-I419 HydrophobicContact CG-CD1 4.29Å; Q417-I419 HydrophobicContact CG-CG1 4Å; Q417-S426 WeakPolarHBondContact CB-OG 3.09Å; Q417-S426 PolarHBondContact OE1-OG 3.4Å; Q417-A430 HydrophobicContact CB-CB 4.09Å; Q417-A430 HydrophobicContact CG-CB 4.47Å; Q417-A430 PolarHBondContact N-O 3.44Å
418	V	85	Confident	88.9	Confident	21 Å²	21	34.2 Å²	34.2	13%	0.127	18%	0.183	C	C	.	.			trans	-118.6	130.3	166.3	173.6	0	0	0	0	108.9	Y352 Q354 L414 Q432	Y352-V418 HydrophobicContact CE2-CB 4.21Å; Y352-V418 HydrophobicContact CE2-CG1 3.84Å; Q354-V418 PolarHBondContact NE2-O 2.71Å; L414-V418 HydrophobicContact CD2-CG2 3.61Å; V418-Q432 VanDerWaalsContact CB-NE2 3.33Å
419	I	83.9	Confident	88.9	Confident	50 Å²	50	35.4 Å²	35.4	26%	0.256	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-130.5	130.5	179.6	-52.7	173.8	0	0	0	107.9	Q417 H421 G422 R423 V424	Q417-I419 HydrophobicContact CG-CD1 4.29Å; Q417-I419 HydrophobicContact CG-CG1 4Å; I419-H421 PolarHBondContact O-N 3.47Å; I419-G422 WeakPolarHBondContact O-CA 3.49Å; I419-G422 PolarHBondContact O-N 3.28Å; I419-R423 PolarHBondContact O-N 2.83Å; I419-V424 HydrophobicContact CB-CB 3.91Å; I419-V424 HydrophobicContact CB-CG1 4.24Å; I419-V424 HydrophobicContact CD1-CG1 4.32Å; I419-V424 HydrophobicContact CG2-CB 3.77Å; I419-V424 HydrophobicContact CG2-CG1 4Å; I419-V424 HydrophobicContact CG2-CG2 4.34Å; I419-V424 PolarHBondContact O-N 3.37Å
420	D	77.6	Confident	88.8	Confident	81 Å²	81	35.4 Å²	35.4	43%	0.433	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	48.3	57.9	179.1	-178.4	22	0	0	0	112.2	G422 R423 V424	D420-G422 PolarHBondContact O-N 3.23Å; D420-R423 HydrophobicContact CB-CB 4.43Å; D420-R423 VanDerWaalsContact O-CB 3.23Å; D420-R423 WeakPolarHBondContact O-CB 3.43Å; D420-R423 VanDerWaalsContact O-CG 3.23Å; D420-R423 WeakPolarHBondContact O-CG 3.38Å; D420-R423 PolarHBondContact O-N 2.94Å; D420-R423 IonicContact OD1-CZ 2.71Å; D420-R423 IonicContact OD1-NH1 3.14Å; D420-R423 PolarHBondContact OD1-NH1 3.12Å; D420-V424 HydrophobicContact CB-CG2 4.11Å
421	H	76.6	Confident	88.8	Confident	20 Å²	20	35.4 Å²	35.4	9%	0.093	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	54.5	25.9	-178	-47.4	-82	0	0	0	114.6	I419 R423 D518 Y521	I419-H421 PolarHBondContact O-N 3.47Å; H421-R423 PolarHBondContact CD2-NH1 2.98Å; H421-R423 VanDerWaalsContact CD2-NH1 3.28Å; H421-D518 IonicContact CE1-OD1 3.47Å; H421-D518 IonicContact CE1-OD2 3.55Å; H421-D518 PolarHBondContact CE1-OD2 3.09Å; H421-D518 IonicContact NE2-OD1 2.8Å; H421-D518 IonicContact NE2-OD2 3.6Å; H421-D518 PolarHBondContact NE2-OD2 3.49Å; H421-Y521 PolarHBondContact CE1-OH 3.19Å; H421-Y521 AromaticContact ND1-CZ 3.77Å; H421-Y521 PolarHBondContact ND1-OH 3.2Å
422	G	73.7	Confident	88.7	Confident	27 Å²	27	35.4 Å²	35.4	28%	0.278	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	84.6	7.8	-178.7	0	0	0	0	0	114.6	I419 D420 V424	I419-G422 WeakPolarHBondContact O-CA 3.49Å; I419-G422 PolarHBondContact O-N 3.28Å; D420-G422 PolarHBondContact O-N 3.23Å; G422-V424 VanDerWaalsContact C-N 3.28Å
423	R	76.1	Confident	88.7	Confident	96 Å²	96	35.1 Å²	35.1	36%	0.362	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.2	174.8	-63.9	174.6	-171.2	127	-1.1	112.7	I419 D420 H421	I419-R423 PolarHBondContact O-N 2.83Å; D420-R423 HydrophobicContact CB-CB 4.43Å; D420-R423 VanDerWaalsContact O-CB 3.23Å; D420-R423 WeakPolarHBondContact O-CB 3.43Å; D420-R423 VanDerWaalsContact O-CG 3.23Å; D420-R423 WeakPolarHBondContact O-CG 3.38Å; D420-R423 PolarHBondContact O-N 2.94Å; D420-R423 IonicContact OD1-CZ 2.71Å; D420-R423 IonicContact OD1-NH1 3.14Å; D420-R423 PolarHBondContact OD1-NH1 3.12Å; H421-R423 PolarHBondContact CD2-NH1 2.98Å; H421-R423 VanDerWaalsContact CD2-NH1 3.28Å
424	V	82.4	Confident	88.7	Confident	61 Å²	61	36.5 Å²	36.5	37%	0.37	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-109.2	125.4	176.4	178.3	0	0	0	0	108.9	I419 D420 G422	I419-V424 HydrophobicContact CB-CB 3.91Å; I419-V424 HydrophobicContact CB-CG1 4.24Å; I419-V424 HydrophobicContact CD1-CG1 4.32Å; I419-V424 HydrophobicContact CG2-CB 3.77Å; I419-V424 HydrophobicContact CG2-CG1 4Å; I419-V424 HydrophobicContact CG2-CG2 4.34Å; I419-V424 PolarHBondContact O-N 3.37Å; D420-V424 HydrophobicContact CB-CG2 4.11Å; G422-V424 VanDerWaalsContact C-N 3.28Å
425	S	82.4	Confident	88.8	Confident	92 Å²	92	35.7 Å²	35.7	64%	0.643	19%	0.19	S	C	*	.			trans	-63.1	145.1	179.1	-54.4	0	0	0	0	111.9
426	S	83.5	Confident	88.8	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.063	19%	0.19	C	C	.	.			trans	-58.6	146.7	171.8	179.7	0	0	0	0	110.5	Y364 Q417 I428	Y364-S426 WeakPolarHBondContact CE2-O 3.41Å; Q417-S426 WeakPolarHBondContact CB-OG 3.09Å; Q417-S426 PolarHBondContact OE1-OG 3.4Å; S426-I428 PolarHBondContact OG-N 2.86Å; S426-I428 PolarHBondContact OG-O 3.2Å
427	K	87.1	Confident	89	Confident	153 Å²	153	35.4 Å²	35.4	67%	0.665	19%	0.188	S	C	*	.			trans	-106.4	-21.5	179.7	-64.3	-176.6	-178.7	179	0	112.9	Y364	Y364-K427 WeakPolarHBondContact CE2-O 3.34Å; Y364-K427 PolarHBondContact OH-O 2.65Å
428	I	93.9	Very high	89.3	Confident	55 Å²	55	34.5 Å²	34.5	28%	0.282	18%	0.184	S	C	.	.	S	Bend	trans	-141	164.5	-171.1	58.5	172.9	0	0	0	111.1	Q356 Y364 S426 A430 V497	Q356-I428 HydrophobicContact CB-CD1 4.42Å; Q356-I428 HydrophobicContact CG-CD1 4.3Å; Y364-I428 WeakPolarHBondContact CD2-O 3.35Å; S426-I428 PolarHBondContact OG-N 2.86Å; S426-I428 PolarHBondContact OG-O 3.2Å; I428-A430 HydrophobicContact CD1-CB 4.38Å; I428-A430 HydrophobicContact CG1-CB 4.16Å; I428-A430 PolarHBondContact O-N 2.99Å; I428-V497 HydrophobicContact CD1-CG1 4.48Å; I428-V497 HydrophobicContact CD1-CG2 3.69Å
429	E	96.9	Very high	89.8	Confident	30 Å²	30	35.3 Å²	35.3	14%	0.14	18%	0.184	C	C	.	.	S	Bend	trans	-66.2	118.9	163.3	-62.1	-69.7	163.6	0	0	108.3	C357 T362 Y364	C357-E429 HydrophobicContact CB-CB 4.06Å; C357-E429 PolarHBondContact N-O 3.12Å; C357-E429 WeakPolarHBondContact O-CB 3.29Å; T362-E429 VanDerWaalsContact CB-OE2 3.23Å; T362-E429 WeakPolarHBondContact CB-OE2 3.19Å; T362-E429 HydrophobicContact CG2-CB 4.27Å; T362-E429 WeakPolarHBondContact CG2-OE2 3.32Å; T362-E429 PolarHBondContact N-OE2 3.36Å; T362-E429 VanDerWaalsContact N-OE2 3.09Å; T362-E429 PolarHBondContact OG1-OE2 2.94Å; Y364-E429 HydrophobicContact CD1-CG 4.32Å; Y364-E429 WeakPolarHBondContact CD1-OE1 3.46Å
430	A	97.3	Very high	90.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.5	-178.7	0	0	0	0	0	111.5	Q355 P415 S416 Q417 I428	Q355-A430 WeakPolarHBondContact O-CA 3.38Å; Q355-A430 VanDerWaalsContact O-CB 3.26Å; Q355-A430 WeakPolarHBondContact O-CB 3.35Å; P415-A430 CarbonylContact C-O 3.28Å; S416-A430 CarbonylContact C-O 3.35Å; S416-A430 VanDerWaalsContact C-O 3.27Å; S416-A430 WeakPolarHBondContact CA-O 3.42Å; S416-A430 PolarHBondContact N-O 3.36Å; Q417-A430 HydrophobicContact CB-CB 4.09Å; Q417-A430 HydrophobicContact CG-CB 4.47Å; Q417-A430 PolarHBondContact N-O 3.44Å; I428-A430 HydrophobicContact CD1-CB 4.38Å; I428-A430 HydrophobicContact CG1-CB 4.16Å; I428-A430 PolarHBondContact O-N 2.99Å
431	Y	97.8	Very high	91.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	164	171.7	58.2	-98.3	0	0	0	109.9	L209 Q355 C357 F413 L414 F484 F489 F492	L209-Y431 HydrophobicContact CD1-CD1 3.98Å; L209-Y431 HydrophobicContact CD1-CG 4.33Å; L209-Y431 HydrophobicContact CD2-CD1 4.19Å; L209-Y431 HydrophobicContact CD2-CE1 4.41Å; Q355-Y431 HydrophobicContact CB-CD2 3.97Å; Q355-Y431 HydrophobicContact CB-CE1 4.16Å; Q355-Y431 HydrophobicContact CB-CE2 3.43Å; Q355-Y431 VanDerWaalsContact CB-CE2 3.43Å; Q355-Y431 HydrophobicContact CG-CE1 4.41Å; Q355-Y431 HydrophobicContact CG-CE2 4.08Å; Q355-Y431 WeakPolarHBondContact CG-OH 3.38Å; Q355-Y431 PolarHBondContact N-O 3.14Å; Q355-Y431 PolarHBondContact O-N 3.1Å; C357-Y431 HydrophobicContact CB-CD1 3.89Å; C357-Y431 HydrophobicContact CB-CE1 4.21Å; F413-Y431 AromaticContact CE2-CD2 3.84Å; F413-Y431 HydrophobicContact CE2-CD2 3.84Å; F413-Y431 HydrophobicContact CE2-CG 4.3Å; F413-Y431 HydrophobicContact CZ-CD2 4.19Å; F413-Y431 HydrophobicContact CZ-CG 4.22Å; L414-Y431 WeakPolarHBondContact O-CA 3.33Å; Y431-F484 HydrophobicContact CD2-CE1 4.17Å; Y431-F484 HydrophobicContact CD2-CE2 4.2Å; Y431-F484 AromaticContact CD2-CZ 3.87Å; Y431-F484 HydrophobicContact CD2-CZ 3.87Å; Y431-F484 HydrophobicContact CE2-CD1 4.13Å; Y431-F484 HydrophobicContact CE2-CD2 4.18Å; Y431-F484 HydrophobicContact CE2-CE1 4.01Å; Y431-F484 HydrophobicContact CE2-CE2 4.07Å; Y431-F484 HydrophobicContact CE2-CG 4.21Å; Y431-F484 AromaticContact CE2-CZ 3.98Å; Y431-F484 HydrophobicContact CE2-CZ 3.98Å; Y431-F489 HydrophobicContact CD2-CE1 4.18Å; Y431-F489 HydrophobicContact CE1-CD1 4.34Å; Y431-F489 HydrophobicContact CE1-CE1 4.48Å; Y431-F489 AromaticContact CE2-CD1 3.9Å; Y431-F489 HydrophobicContact CE2-CD1 3.9Å; Y431-F489 AromaticContact CE2-CE1 3.67Å; Y431-F489 HydrophobicContact CE2-CE1 3.67Å; Y431-F489 HydrophobicContact CE2-CZ 4.23Å; Y431-F489 AromaticContact CZ-CD1 3.64Å; Y431-F489 AromaticContact CZ-CE1 3.84Å; Y431-F489 WeakPolarHBondContact OH-CD1 3.4Å; Y431-F492 HydrophobicContact CE1-CB 4.33Å
432	Q	97.4	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166	-176.2	70.5	-171.3	-10.7	0	0	112.3	V353 Q354 F413 L414 S416 V418 H434	V353-Q432 WeakPolarHBondContact O-CA 3.33Å; V353-Q432 VanDerWaalsContact O-CB 3.25Å; V353-Q432 WeakPolarHBondContact O-CB 3.18Å; Q354-Q432 HydrophobicContact CB-CB 4.37Å; Q354-Q432 HydrophobicContact CG-CB 3.85Å; F413-Q432 WeakPolarHBondContact CD2-O 3.47Å; L414-Q432 HydrophobicContact CB-CG 4.08Å; L414-Q432 VanDerWaalsContact CD2-NE2 3.3Å; L414-Q432 PolarHBondContact N-O 3Å; L414-Q432 PolarHBondContact O-N 3.2Å; S416-Q432 VanDerWaalsContact O-CD 3.26Å; S416-Q432 WeakPolarHBondContact O-CG 3.07Å; S416-Q432 PolarHBondContact O-NE2 3.11Å; V418-Q432 VanDerWaalsContact CB-NE2 3.33Å; Q432-H434 PolarHBondContact NE2-NE2 3.41Å
433	V	97.6	Very high	93.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138	156.6	-73.8	0	0	0	0	109.6	F213 Y352 V353 F411 H412 F413 V435 F484	F213-V433 HydrophobicContact CD2-CG1 4.12Å; F213-V433 HydrophobicContact CE2-CG1 3.48Å; F213-V433 VanDerWaalsContact CE2-CG1 3.48Å; F213-V433 HydrophobicContact CZ-CG1 4.1Å; Y352-V433 WeakPolarHBondContact CA-O 3.3Å; V353-V433 HydrophobicContact CB-CG2 3.99Å; V353-V433 PolarHBondContact N-O 2.9Å; V353-V433 VanDerWaalsContact N-O 3.16Å; V353-V433 PolarHBondContact O-N 2.72Å; V353-V433 VanDerWaalsContact O-N 3.07Å; F411-V433 HydrophobicContact CB-CG1 4.45Å; F411-V433 HydrophobicContact CD1-CB 4.21Å; F411-V433 HydrophobicContact CD1-CG1 4.3Å; F411-V433 HydrophobicContact CD1-CG2 4.26Å; H412-V433 CarbonylContact O-C 3.47Å; H412-V433 VanDerWaalsContact O-CA 3.3Å; H412-V433 WeakPolarHBondContact O-CA 3.21Å; F413-V433 HydrophobicContact CB-CG1 4.41Å; F413-V433 HydrophobicContact CD2-CG1 4.04Å; V433-V435 HydrophobicContact CG2-CB 4.45Å; V433-V435 HydrophobicContact CG2-CG1 4.42Å; V433-F484 HydrophobicContact CB-CZ 4.33Å; V433-F484 HydrophobicContact CG1-CE1 4.01Å; V433-F484 HydrophobicContact CG1-CZ 3.86Å; V433-F484 HydrophobicContact CG2-CE2 4.33Å; V433-F484 HydrophobicContact CG2-CZ 3.96Å
434	H	96.4	Very high	94.5	Very high	29 Å²	29	30.3 Å²	30.3	13%	0.134	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.8	157.5	-64.9	-164.6	0	0	0	105.8	L351 Y352 F411 H412 Q432	L351-H434 WeakPolarHBondContact O-CA 3.38Å; Y352-H434 HydrophobicContact CD1-CB 4.31Å; Y352-H434 AromaticContact CD1-CD2 3.13Å; Y352-H434 WeakPolarHBondContact CD1-CD2 3.16Å; Y352-H434 AromaticContact CD1-CE1 3.88Å; Y352-H434 AromaticContact CD1-CG 3.63Å; Y352-H434 AromaticContact CD1-NE2 3.31Å; Y352-H434 VanDerWaalsContact CD1-NE2 3.31Å; Y352-H434 WeakPolarHBondContact CD1-NE2 3.44Å; Y352-H434 HydrophobicContact CE1-CB 4.34Å; Y352-H434 AromaticContact CE1-CD2 3.29Å; Y352-H434 WeakPolarHBondContact CE1-CD2 3.2Å; Y352-H434 AromaticContact CE1-CE1 3.18Å; Y352-H434 WeakPolarHBondContact CE1-CE1 3.43Å; Y352-H434 AromaticContact CE1-CG 3.47Å; Y352-H434 VanDerWaalsContact CE1-CG 3.47Å; Y352-H434 AromaticContact CE1-ND1 3.43Å; Y352-H434 WeakPolarHBondContact CE1-ND1 3.19Å; Y352-H434 AromaticContact CE1-NE2 3.1Å; Y352-H434 WeakPolarHBondContact CE1-NE2 3.12Å; Y352-H434 AromaticContact CZ-CE1 3.67Å; Y352-H434 AromaticContact CZ-NE2 3.7Å; F411-H434 CarbonylContact C-O 3.59Å; F411-H434 VanDerWaalsContact CA-O 3.32Å; F411-H434 WeakPolarHBondContact CA-O 3.46Å; H412-H434 HydrophobicContact CB-CB 4.27Å; H412-H434 PolarHBondContact N-O 3.21Å; H412-H434 PolarHBondContact O-N 3.4Å; Q432-H434 PolarHBondContact NE2-NE2 3.41Å
435	V	98.2	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.9	-171.5	63.4	0	0	0	0	111.2	E350 L351 V353 I409 Q410 F411 V433 C476	E350-V435 CarbonylContact C-O 3.56Å; E350-V435 VanDerWaalsContact CA-O 3.3Å; E350-V435 WeakPolarHBondContact CA-O 3.37Å; L351-V435 HydrophobicContact CD1-CG1 4.34Å; L351-V435 HydrophobicContact CD2-CG1 3.91Å; L351-V435 HydrophobicContact CG-CG1 3.77Å; L351-V435 PolarHBondContact N-O 3.2Å; L351-V435 PolarHBondContact O-N 3.35Å; V353-V435 HydrophobicContact CG2-CG1 4.2Å; I409-V435 HydrophobicContact CG2-CG2 3.64Å; Q410-V435 VanDerWaalsContact O-CA 3.29Å; Q410-V435 WeakPolarHBondContact O-CA 3.1Å; Q410-V435 WeakPolarHBondContact O-CG2 3.39Å; F411-V435 HydrophobicContact CD1-CB 3.81Å; F411-V435 HydrophobicContact CD1-CG2 3.45Å; F411-V435 VanDerWaalsContact CD1-CG2 3.45Å; F411-V435 HydrophobicContact CE1-CB 4.1Å; F411-V435 HydrophobicContact CE1-CG2 3.35Å; F411-V435 HydrophobicContact CG-CG2 4.22Å; F411-V435 HydrophobicContact CZ-CG2 4.05Å; V433-V435 HydrophobicContact CG2-CB 4.45Å; V433-V435 HydrophobicContact CG2-CG1 4.42Å; V435-C476 HydrophobicContact CG1-CB 4.18Å; V435-C476 HydrophobicContact CG2-CB 3.76Å
436	G	97.8	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	164.7	173.6	0	0	0	0	0	113.1	I409 Q410 M438	I409-G436 WeakPolarHBondContact CA-O 3.41Å; Q410-G436 PolarHBondContact N-O 3.1Å; Q410-G436 PolarHBondContact O-N 2.85Å; G436-M438 WeakPolarHBondContact O-CE 3.44Å
437	P	97.4	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.5	168.5	30.4	-31.3	0	0	0	110.8	D408 E472 F473	D408-P437 CarbonylContact O-C 3.54Å; D408-P437 VanDerWaalsContact O-CA 3.29Å; D408-P437 WeakPolarHBondContact O-CA 3.22Å; P437-E472 HydrophobicContact CB-CB 4.06Å; P437-E472 WeakPolarHBondContact CB-OE2 3.38Å; P437-E472 HydrophobicContact CG-CB 4.3Å; P437-F473 VanDerWaalsContact CD-CE2 3.49Å; P437-F473 HydrophobicContact CG-CD2 3.81Å; P437-F473 HydrophobicContact CG-CE2 3.57Å; P437-F473 HydrophobicContact CG-CG 4.42Å; P437-F473 HydrophobicContact CG-CZ 4.02Å
438	M	96.8	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-98	-9	-175.7	-64.5	-64.7	98.9	0	0	113.2	H348 F397 D408 Q410 G436	H348-M438 HydrophobicContact CB-CE 4.21Å; H348-M438 PolarHBondContact CD2-O 3.49Å; H348-M438 PolarHBondContact NE2-O 3.44Å; F397-M438 HydrophobicContact CE1-CG 4.47Å; D408-M438 WeakPolarHBondContact O-CB 3.35Å; D408-M438 PolarHBondContact O-N 3.36Å; Q410-M438 HydrophobicContact CB-CE 3.68Å; Q410-M438 HydrophobicContact CB-CG 3.75Å; Q410-M438 HydrophobicContact CB-SD 3.49Å; Q410-M438 WeakPolarHBondContact CB-SD 3.33Å; Q410-M438 HydrophobicContact CG-SD 4.35Å; Q410-M438 PolarHBondContact OE1-SD 3.43Å; G436-M438 WeakPolarHBondContact O-CE 3.44Å
439	R	94.9	Very high	97.5	Very high	38 Å²	38	26.1 Å²	26.1	14%	0.143	13%	0.125	C	C	.	.	S	Bend	trans	-136.9	43.4	-175.9	-63.3	-175.9	-62.9	-86.6	10.4	111.4	H406 P407 D408 S564	H406-R439 VanDerWaalsContact CD2-CZ 3.44Å; H406-R439 PolarHBondContact CD2-NH1 2.73Å; H406-R439 VanDerWaalsContact CD2-NH1 3.26Å; H406-R439 PolarHBondContact NE2-NE 3.47Å; H406-R439 PolarHBondContact NE2-NH1 3.02Å; H406-R439 PolarHBondContact O-NH2 2.87Å; P407-R439 PolarHBondContact O-NH1 3.08Å; P407-R439 PolarHBondContact O-NH2 3.11Å; D408-R439 VanDerWaalsContact CB-NH2 3.25Å; R439-S564 PolarHBondContact NH1-OG 2.88Å
440	S	94.8	Very high	97.5	Very high	20 Å²	20	25.8 Å²	25.8	14%	0.14	13%	0.126	C	C	.	.			trans	-50.8	140.9	174.1	-55.1	0	0	0	0	111.3
441	T	96.9	Very high	97.6	Very high	67 Å²	67	29.4 Å²	29.4	41%	0.411	15%	0.15	S	C	.	.			trans	-90	-12.7	-177	60.2	0	0	0	0	113.4	I443 T466 I468 D469	T441-I443 PolarHBondContact O-N 3.29Å; T441-T466 WeakPolarHBondContact OG1-CB 3.33Å; T441-T466 WeakPolarHBondContact OG1-CG2 3.42Å; T441-T466 PolarHBondContact OG1-OG1 3.13Å; T441-I468 HydrophobicContact CG2-CG2 3.65Å; T441-I468 WeakPolarHBondContact OG1-CG2 3.42Å; T441-D469 PolarHBondContact N-OD1 3.31Å; T441-D469 PolarHBondContact N-OD2 3.11Å; T441-D469 PolarHBondContact OG1-OD1 3.19Å
442	S	97.7	Very high	97.6	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.07	17%	0.167	C	C	.	.			trans	-61.9	120.1	169.3	-66.7	0	0	0	0	110.7	N462 L464 S465 D469	S442-N462 WeakPolarHBondContact CB-O 3.33Å; S442-N462 PolarHBondContact OG-O 3.16Å; S442-L464 PolarHBondContact OG-N 3.09Å; S442-S465 WeakPolarHBondContact CB-OG 3.11Å; S442-S465 PolarHBondContact OG-N 3.08Å; S442-S465 PolarHBondContact OG-OG 2.72Å; S442-D469 WeakPolarHBondContact CB-OD2 3.3Å; S442-D469 PolarHBondContact N-OD2 3.05Å; S442-D469 PolarHBondContact OG-OD2 2.79Å
443	I	98	Very high	97.6	Very high	67 Å²	67	34.3 Å²	34.3	34%	0.344	18%	0.178	S	C	.	.			trans	-113.4	129.1	177.3	-55.9	-58.9	0	0	0	109.8	Q346 T441 N462	Q346-I443 HydrophobicContact CG-CD1 3.47Å; Q346-I443 VanDerWaalsContact CG-CD1 3.47Å; T441-I443 PolarHBondContact O-N 3.29Å; I443-N462 PolarHBondContact O-ND2 3.31Å
444	G	98.4	Very high	97.5	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-170.9	179.4	0	0	0	0	0	114.9	N344 L345 Q460 P461	N344-G444 PolarHBondContact N-O 3.37Å; L345-G444 PolarHBondContact N-O 3.07Å; L345-G444 WeakPolarHBondContact O-CA 3.38Å; L345-G444 PolarHBondContact O-N 3Å; G444-Q460 CarbonylContact C-O 3.6Å; G444-Q460 WeakPolarHBondContact CA-O 3.36Å; G444-P461 PolarHBondContact N-O 3.35Å
445	W	98.8	Very high	97.6	Very high	70 Å²	70	40.6 Å²	40.6	27%	0.265	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	164.6	170.5	53.2	-96.5	0	0	0	111.2	L121 G342 L345 K447 I458 Q460	L121-W445 HydrophobicContact CD1-CH2 4.39Å; G342-W445 CarbonylContact O-C 3.2Å; G342-W445 WeakPolarHBondContact O-CA 3.49Å; L345-W445 WeakPolarHBondContact CD2-O 3.13Å; W445-K447 HydrophobicContact CE3-CB 4.19Å; W445-K447 HydrophobicContact CE3-CD 3.79Å; W445-K447 HydrophobicContact CE3-CG 3.56Å; W445-K447 HydrophobicContact CH2-CD 4.26Å; W445-K447 HydrophobicContact CZ3-CB 3.93Å; W445-K447 HydrophobicContact CZ3-CD 3.61Å; W445-K447 HydrophobicContact CZ3-CG 3.65Å; W445-I458 HydrophobicContact CH2-CG2 4.06Å; W445-I458 HydrophobicContact CZ3-CB 4.41Å; W445-I458 HydrophobicContact CZ3-CG2 3.81Å; W445-Q460 HydrophobicContact CD2-CB 3.89Å; W445-Q460 HydrophobicContact CD2-CG 4.41Å; W445-Q460 HydrophobicContact CE3-CB 4.12Å; W445-Q460 HydrophobicContact CH2-CB 4.02Å; W445-Q460 HydrophobicContact CH2-CG 4.5Å; W445-Q460 HydrophobicContact CZ2-CB 3.76Å; W445-Q460 HydrophobicContact CZ2-CG 3.81Å; W445-Q460 HydrophobicContact CZ3-CB 4.18Å; W445-Q460 PolarHBondContact N-O 3.17Å; W445-Q460 CarbonylContact O-C 3.58Å; W445-Q460 PolarHBondContact O-N 2.97Å
446	M	98.4	Very high	97.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.5	166.2	68	154.2	-78.7	0	0	111.3	I310 P313 Q314 M317 G342 L345 P457 I458 L459 T526	I310-M446 HydrophobicContact CG2-SD 4.37Å; P313-M446 HydrophobicContact CB-SD 4.19Å; P313-M446 HydrophobicContact CG-CE 4.21Å; P313-M446 HydrophobicContact CG-CG 4.4Å; P313-M446 HydrophobicContact CG-SD 3.46Å; P313-M446 WeakPolarHBondContact CG-SD 3.45Å; Q314-M446 HydrophobicContact CB-CE 4.01Å; M317-M446 HydrophobicContact CE-CE 3.57Å; G342-M446 PolarHBondContact O-N 2.92Å; L345-M446 HydrophobicContact CD2-CB 4.5Å; M446-P457 HydrophobicContact CE-CB 3.44Å; M446-P457 VanDerWaalsContact CE-CB 3.44Å; M446-P457 HydrophobicContact CE-CG 3.8Å; M446-I458 CarbonylContact C-O 3.57Å; M446-I458 WeakPolarHBondContact CA-O 3.49Å; M446-I458 WeakPolarHBondContact CB-O 3.1Å; M446-L459 HydrophobicContact CB-CD2 3.77Å; M446-L459 HydrophobicContact SD-CD2 4.43Å; M446-T526 HydrophobicContact CG-CG2 4.19Å
447	K	98.5	Very high	97.6	Very high	61 Å²	61	44.5 Å²	44.5	27%	0.265	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.8	-179.9	-69.3	-179.9	-167.6	-161.7	0	111.1	E326 W445 K449 P457 I458	E326-K447 WeakPolarHBondContact OE1-CE 3.27Å; E326-K447 IonicContact OE1-NZ 3.24Å; E326-K447 PolarHBondContact OE1-NZ 2.91Å; W445-K447 HydrophobicContact CE3-CB 4.19Å; W445-K447 HydrophobicContact CE3-CD 3.79Å; W445-K447 HydrophobicContact CE3-CG 3.56Å; W445-K447 HydrophobicContact CH2-CD 4.26Å; W445-K447 HydrophobicContact CZ3-CB 3.93Å; W445-K447 HydrophobicContact CZ3-CD 3.61Å; W445-K447 HydrophobicContact CZ3-CG 3.65Å; K447-K449 PolarHBondContact O-N 2.94Å; K447-P457 WeakPolarHBondContact O-CA 3.46Å; K447-P457 WeakPolarHBondContact O-CB 3.42Å; K447-I458 PolarHBondContact N-O 3.38Å; K447-I458 PolarHBondContact O-N 3.01Å
448	L	98.7	Very high	97.6	Very high	12 Å²	12	47 Å²	47	6%	0.063	24%	0.242	C	C	.	.			trans	-64.9	134.3	167.8	-65.7	-175.4	0	0	0	110.2	Q314 M317 L318 L327 L330 I332	Q314-L448 HydrophobicContact CB-CD2 4.46Å; Q314-L448 HydrophobicContact CG-CD2 3.71Å; M317-L448 HydrophobicContact CB-CD1 3.59Å; M317-L448 HydrophobicContact CB-CD2 4.04Å; M317-L448 HydrophobicContact CB-CG 3.67Å; M317-L448 HydrophobicContact CE-CD2 4.11Å; M317-L448 HydrophobicContact CE-CG 4.1Å; M317-L448 HydrophobicContact CG-CG 4.49Å; M317-L448 HydrophobicContact SD-CG 4.06Å; L318-L448 HydrophobicContact CD2-CD1 3.96Å; L318-L448 HydrophobicContact CD2-CD2 4.13Å; L318-L448 HydrophobicContact CG-CD1 4.15Å; L318-L448 HydrophobicContact CG-CD2 3.89Å; L327-L448 HydrophobicContact CD2-CD1 4.36Å; L330-L448 HydrophobicContact CD1-CB 3.53Å; L330-L448 HydrophobicContact CD1-CD1 4.18Å; L330-L448 HydrophobicContact CD1-CG 4.47Å; I332-L448 HydrophobicContact CD1-CD1 3.38Å
449	K	98.1	Very high	97.7	Very high	137 Å²	137	47 Å²	47	60%	0.596	24%	0.242	S	C	*	.	S	Bend	trans	-77	-36.4	169.1	-174	-179.5	176.9	-175.7	0	111.4	K447 H456 I458	K447-K449 PolarHBondContact O-N 2.94Å; K449-H456 WeakPolarHBondContact CB-O 3Å; K449-I458 HydrophobicContact CB-CD1 4.4Å; K449-I458 HydrophobicContact CB-CG1 3.95Å; K449-I458 HydrophobicContact CG-CG1 4.29Å
450	S	98.4	Very high	97.9	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	24%	0.242	C	C	.	.	S	Bend	trans	-159.4	170.7	-175.8	84.6	0	0	0	0	109.1	N452 D455	S450-N452 PolarHBondContact O-N 3.5Å; S450-N452 WeakPolarHBondContact OG-CB 3.24Å; S450-N452 PolarHBondContact OG-N 3.16Å; S450-D455 WeakPolarHBondContact CB-OD2 3.49Å; S450-D455 PolarHBondContact OG-OD2 2.96Å
451	P	98	Very high	98	Very high	75 Å²	75	45.9 Å²	45.9	49%	0.487	24%	0.237	S	C	.	.	S	Bend	trans	-76.4	1	171.9	33.1	-36.5	0	0	0	113.4	I332 P453	I332-P451 HydrophobicContact CD1-CB 4.23Å; I332-P451 HydrophobicContact CG1-CB 4.07Å; P451-P453 WeakPolarHBondContact O-CD 3.48Å
452	N	98.1	Very high	98.1	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	23%	0.227	S	C	.	.			trans	-78.4	118.1	177	179.7	12.9	0	0	0	110.2	S450 M454 D455	S450-N452 PolarHBondContact O-N 3.5Å; S450-N452 WeakPolarHBondContact OG-CB 3.24Å; S450-N452 PolarHBondContact OG-N 3.16Å; N452-M454 PolarHBondContact O-N 3.16Å; N452-M454 VanDerWaalsContact O-N 3.11Å; N452-M454 PolarHBondContact OD1-N 3.34Å; N452-M454 VanDerWaalsContact OD1-N 3.13Å; N452-D455 HydrophobicContact CB-CB 4.43Å; N452-D455 PolarHBondContact ND2-OD1 3.28Å; N452-D455 PolarHBondContact O-N 3.23Å; N452-D455 VanDerWaalsContact O-N 3.11Å
453	P	97.1	Very high	98.1	Very high	37 Å²	37	44.5 Å²	44.5	24%	0.24	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17	-180	28	-37.6	0	0	0	114	T274 L318 P451	T274-P453 HydrophobicContact CG2-CB 3.81Å; T274-P453 HydrophobicContact CG2-CG 3.56Å; L318-P453 HydrophobicContact CD1-CB 3.89Å; P451-P453 WeakPolarHBondContact O-CD 3.48Å
454	M	96.1	Very high	98.1	Very high	106 Å²	106	41.6 Å²	41.6	52%	0.522	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.8	178.6	-57.2	-56.2	-61.3	0	0	113.3	M272 N452	M272-M454 HydrophobicContact CB-SD 4.42Å; M272-M454 HydrophobicContact CE-CE 3.84Å; M272-M454 HydrophobicContact CE-SD 4.12Å; M272-M454 HydrophobicContact CG-SD 3.76Å; N452-M454 PolarHBondContact O-N 3.16Å; N452-M454 VanDerWaalsContact O-N 3.11Å; N452-M454 PolarHBondContact OD1-N 3.34Å; N452-M454 VanDerWaalsContact OD1-N 3.13Å
455	D	97.9	Very high	98.1	Very high	55 Å²	55	43.6 Å²	43.6	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-78.2	137.1	179	-70	-4	0	0	0	109.7	Q314 S450 N452	Q314-D455 PolarHBondContact NE2-O 3.41Å; S450-D455 WeakPolarHBondContact CB-OD2 3.49Å; S450-D455 PolarHBondContact OG-OD2 2.96Å; N452-D455 HydrophobicContact CB-CB 4.43Å; N452-D455 PolarHBondContact ND2-OD1 3.28Å; N452-D455 PolarHBondContact O-N 3.23Å; N452-D455 VanDerWaalsContact O-N 3.11Å
456	H	97.8	Very high	98.1	Very high	75 Å²	75	42.1 Å²	42.1	35%	0.347	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-63.8	143.2	170.5	-70	-178.6	0	0	0	110.5	W116 Y118 K449	W116-H456 PolarHBondContact O-CE1 3.42Å; W116-H456 PolarHBondContact O-NE2 2.71Å; Y118-H456 HydrophobicContact CD1-CB 4.08Å; Y118-H456 AromaticContact CD1-CG 3.69Å; Y118-H456 AromaticContact CD1-ND1 3.62Å; Y118-H456 HydrophobicContact CE1-CB 4.26Å; Y118-H456 AromaticContact CE1-CD2 3.78Å; Y118-H456 AromaticContact CE1-CG 3.79Å; K449-H456 WeakPolarHBondContact CB-O 3Å
457	P	98.1	Very high	98	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.052	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.4	164	175	29.7	-32.5	0	0	0	110.9	I310 M446 K447 L459	I310-P457 HydrophobicContact CG2-CG 3.57Å; M446-P457 HydrophobicContact CE-CB 3.44Å; M446-P457 VanDerWaalsContact CE-CB 3.44Å; M446-P457 HydrophobicContact CE-CG 3.8Å; K447-P457 WeakPolarHBondContact O-CA 3.46Å; K447-P457 WeakPolarHBondContact O-CB 3.42Å; P457-L459 HydrophobicContact CG-CD2 4.15Å; P457-L459 HydrophobicContact CG-CG 4.46Å
458	I	98.5	Very high	98	Very high	51 Å²	51	48.8 Å²	48.8	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.3	168.6	-59.6	174.8	0	0	0	107.4	L121 W445 M446 K447 K449	L121-I458 HydrophobicContact CD1-CG2 3.54Å; L121-I458 HydrophobicContact CD2-CG2 3.92Å; L121-I458 HydrophobicContact CG-CG2 3.68Å; W445-I458 HydrophobicContact CH2-CG2 4.06Å; W445-I458 HydrophobicContact CZ3-CB 4.41Å; W445-I458 HydrophobicContact CZ3-CG2 3.81Å; M446-I458 CarbonylContact C-O 3.57Å; M446-I458 WeakPolarHBondContact CA-O 3.49Å; M446-I458 WeakPolarHBondContact CB-O 3.1Å; K447-I458 PolarHBondContact N-O 3.38Å; K447-I458 PolarHBondContact O-N 3.01Å; K449-I458 HydrophobicContact CB-CD1 4.4Å; K449-I458 HydrophobicContact CB-CG1 3.95Å; K449-I458 HydrophobicContact CG-CG1 4.29Å
459	L	98.7	Very high	97.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.3	-176.4	-62.7	171.9	0	0	0	109.8	Y118 T120 L121 W133 I310 M446 P457	Y118-L459 HydrophobicContact CD1-CD1 4.38Å; Y118-L459 HydrophobicContact CG-CD1 4.11Å; T120-L459 CarbonylContact C-O 3.46Å; T120-L459 WeakPolarHBondContact CA-O 3.45Å; L121-L459 PolarHBondContact N-O 3.38Å; W133-L459 HydrophobicContact CE3-CD1 3.76Å; W133-L459 HydrophobicContact CZ3-CB 4.39Å; W133-L459 HydrophobicContact CZ3-CD1 4.14Å; W133-L459 HydrophobicContact CZ3-CD2 4.18Å; W133-L459 HydrophobicContact CZ3-CG 4.48Å; I310-L459 HydrophobicContact CD1-CD1 4.27Å; I310-L459 HydrophobicContact CD1-CD2 4.35Å; I310-L459 HydrophobicContact CG1-CD2 4.31Å; I310-L459 HydrophobicContact CG2-CD2 4.22Å; M446-L459 HydrophobicContact CB-CD2 3.77Å; M446-L459 HydrophobicContact SD-CD2 4.43Å; P457-L459 HydrophobicContact CG-CD2 4.15Å; P457-L459 HydrophobicContact CG-CG 4.46Å
460	Q	98.6	Very high	97.9	Very high	29 Å²	29	43.5 Å²	43.5	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	86.7	-178	-178.7	62.6	-21.5	0	0	110.9	L121 G444 W445 N462	L121-Q460 HydrophobicContact CD1-CB 4.29Å; G444-Q460 CarbonylContact C-O 3.6Å; G444-Q460 WeakPolarHBondContact CA-O 3.36Å; W445-Q460 HydrophobicContact CD2-CB 3.89Å; W445-Q460 HydrophobicContact CD2-CG 4.41Å; W445-Q460 HydrophobicContact CE3-CB 4.12Å; W445-Q460 HydrophobicContact CH2-CB 4.02Å; W445-Q460 HydrophobicContact CH2-CG 4.5Å; W445-Q460 HydrophobicContact CZ2-CB 3.76Å; W445-Q460 HydrophobicContact CZ2-CG 3.81Å; W445-Q460 HydrophobicContact CZ3-CB 4.18Å; W445-Q460 PolarHBondContact N-O 3.17Å; W445-Q460 CarbonylContact O-C 3.58Å; W445-Q460 PolarHBondContact O-N 2.97Å; Q460-N462 VanDerWaalsContact C-N 3.31Å; Q460-N462 VanDerWaalsContact CG-OD1 3.24Å; Q460-N462 WeakPolarHBondContact CG-OD1 3.46Å; Q460-N462 PolarHBondContact NE2-OD1 3.45Å; Q460-N462 PolarHBondContact O-N 3.03Å
461	P	98.1	Very high	97.9	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.026	25%	0.245	C	C	.	.			trans	-74.7	-15.7	-178.4	28.3	-33.9	0	0	0	114.4	T120 W133 G444 Y463	T120-P461 HydrophobicContact CG2-CG 3.9Å; W133-P461 HydrophobicContact CH2-CB 4.01Å; W133-P461 HydrophobicContact CH2-CG 4.24Å; W133-P461 HydrophobicContact CZ2-CB 3.76Å; W133-P461 HydrophobicContact CZ2-CG 3.73Å; G444-P461 PolarHBondContact N-O 3.35Å; P461-Y463 VanDerWaalsContact C-N 3.29Å; P461-Y463 HydrophobicContact CB-CD1 4.04Å; P461-Y463 HydrophobicContact CB-CD2 4.01Å; P461-Y463 HydrophobicContact CB-CE1 3.79Å; P461-Y463 HydrophobicContact CB-CE2 3.74Å; P461-Y463 HydrophobicContact CB-CG 4.16Å; P461-Y463 HydrophobicContact CG-CD1 4.39Å; P461-Y463 HydrophobicContact CG-CD2 3.44Å; P461-Y463 VanDerWaalsContact CG-CD2 3.44Å; P461-Y463 HydrophobicContact CG-CE1 4.22Å; P461-Y463 HydrophobicContact CG-CE2 3.2Å; P461-Y463 HydrophobicContact CG-CG 4.06Å; P461-Y463 PolarHBondContact O-N 3.26Å
462	N	98.2	Very high	97.8	Very high	38 Å²	38	42.8 Å²	42.8	20%	0.203	23%	0.225	C	C	.	.			trans	58.4	34.9	-178.4	-63.1	-35.7	0	0	0	113.8	S442 I443 Q460 L464 S465	S442-N462 WeakPolarHBondContact CB-O 3.33Å; S442-N462 PolarHBondContact OG-O 3.16Å; I443-N462 PolarHBondContact O-ND2 3.31Å; Q460-N462 VanDerWaalsContact C-N 3.31Å; Q460-N462 VanDerWaalsContact CG-OD1 3.24Å; Q460-N462 WeakPolarHBondContact CG-OD1 3.46Å; Q460-N462 PolarHBondContact NE2-OD1 3.45Å; Q460-N462 PolarHBondContact O-N 3.03Å; N462-L464 PolarHBondContact O-N 2.68Å; N462-S465 WeakPolarHBondContact O-CB 3.47Å; N462-S465 PolarHBondContact O-N 3Å; N462-S465 PolarHBondContact O-OG 2.83Å
463	Y	98.3	Very high	97.8	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.039	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	137.4	-178.1	-63.4	-56.2	0	0	0	112.8	Q123 H125 M126 L131 W133 D347 L349 P461 S465 S519	Q123-Y463 HydrophobicContact CG-CD2 4.18Å; H125-Y463 WeakPolarHBondContact CB-O 3.41Å; M126-Y463 WeakPolarHBondContact SD-CB 3.45Å; M126-Y463 HydrophobicContact SD-CD2 3.81Å; M126-Y463 HydrophobicContact SD-CG 4Å; L131-Y463 HydrophobicContact CD2-CD2 3.79Å; L131-Y463 HydrophobicContact CD2-CE2 3.53Å; W133-Y463 VanDerWaalsContact CE2-OH 3.28Å; W133-Y463 HydrophobicContact CZ2-CE2 4.22Å; W133-Y463 AromaticContact CZ2-CZ 3.82Å; W133-Y463 WeakPolarHBondContact CZ2-OH 3.4Å; W133-Y463 PolarHBondContact NE1-OH 3.06Å; D347-Y463 HydrophobicContact CB-CE1 4.08Å; D347-Y463 PolarHBondContact OD2-OH 3.13Å; L349-Y463 HydrophobicContact CB-CD1 4.21Å; L349-Y463 HydrophobicContact CB-CE1 4.29Å; L349-Y463 HydrophobicContact CD1-CD1 3.84Å; L349-Y463 HydrophobicContact CD1-CD2 4.05Å; L349-Y463 HydrophobicContact CD1-CE1 3.86Å; L349-Y463 HydrophobicContact CD1-CE2 4.09Å; L349-Y463 HydrophobicContact CD1-CG 3.9Å; L349-Y463 HydrophobicContact CD2-CD1 4.46Å; L349-Y463 HydrophobicContact CD2-CG 4.44Å; L349-Y463 HydrophobicContact CG-CD1 4.42Å; P461-Y463 VanDerWaalsContact C-N 3.29Å; P461-Y463 HydrophobicContact CB-CD1 4.04Å; P461-Y463 HydrophobicContact CB-CD2 4.01Å; P461-Y463 HydrophobicContact CB-CE1 3.79Å; P461-Y463 HydrophobicContact CB-CE2 3.74Å; P461-Y463 HydrophobicContact CB-CG 4.16Å; P461-Y463 HydrophobicContact CG-CD1 4.39Å; P461-Y463 HydrophobicContact CG-CD2 3.44Å; P461-Y463 VanDerWaalsContact CG-CD2 3.44Å; P461-Y463 HydrophobicContact CG-CE1 4.22Å; P461-Y463 HydrophobicContact CG-CE2 3.2Å; P461-Y463 HydrophobicContact CG-CG 4.06Å; P461-Y463 PolarHBondContact O-N 3.26Å; Y463-S465 PolarHBondContact O-N 3.05Å; Y463-S519 WeakPolarHBondContact OH-CB 3.39Å; Y463-S519 PolarHBondContact OH-OG 3.08Å
464	L	97.9	Very high	97.9	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	28.5	179.5	-50.5	-179.9	0	0	0	113.9	H125 M126 L349 S442 N462 T466 D469 V470 F473 V513 R514	H125-L464 HydrophobicContact CB-CB 4.17Å; H125-L464 VanDerWaalsContact CB-O 3.29Å; H125-L464 WeakPolarHBondContact CB-O 3.18Å; M126-L464 HydrophobicContact CE-CD1 4.36Å; M126-L464 HydrophobicContact CG-CD1 4.04Å; M126-L464 HydrophobicContact CG-CG 4.37Å; L349-L464 HydrophobicContact CD2-CD1 4.49Å; L349-L464 HydrophobicContact CD2-CD2 4Å; L349-L464 HydrophobicContact CD2-CG 4.08Å; S442-L464 PolarHBondContact OG-N 3.09Å; N462-L464 PolarHBondContact O-N 2.68Å; L464-T466 PolarHBondContact O-N 3.48Å; L464-D469 HydrophobicContact CD2-CB 4.3Å; L464-V470 HydrophobicContact CB-CG2 4.18Å; L464-F473 HydrophobicContact CD2-CD2 3.45Å; L464-F473 VanDerWaalsContact CD2-CD2 3.45Å; L464-F473 HydrophobicContact CD2-CE2 3.78Å; L464-F473 HydrophobicContact CD2-CG 4.35Å; L464-V513 HydrophobicContact CD1-CG1 3.77Å; L464-V513 HydrophobicContact CD2-CG1 4.44Å; L464-R514 HydrophobicContact CD1-CG 4.13Å
465	S	98.1	Very high	98	Very high	46 Å²	46	36.2 Å²	36.2	32%	0.322	19%	0.186	S	C	.	.			trans	-77.3	-8.1	178.6	62.7	0	0	0	0	114.2	S442 N462 Y463	S442-S465 WeakPolarHBondContact CB-OG 3.11Å; S442-S465 PolarHBondContact OG-N 3.08Å; S442-S465 PolarHBondContact OG-OG 2.72Å; N462-S465 WeakPolarHBondContact O-CB 3.47Å; N462-S465 PolarHBondContact O-N 3Å; N462-S465 PolarHBondContact O-OG 2.83Å; Y463-S465 PolarHBondContact O-N 3.05Å
466	T	98.3	Very high	98	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.239	17%	0.172	C	C	.	.	S	Bend	trans	-122.5	149.8	-179.5	69.1	0	0	0	0	111.2	T441 L464 I468 D469 V470	T441-T466 WeakPolarHBondContact OG1-CB 3.33Å; T441-T466 WeakPolarHBondContact OG1-CG2 3.42Å; T441-T466 PolarHBondContact OG1-OG1 3.13Å; L464-T466 PolarHBondContact O-N 3.48Å; T466-I468 VanDerWaalsContact C-N 3.26Å; T466-I468 PolarHBondContact O-N 3.34Å; T466-D469 PolarHBondContact O-N 2.85Å; T466-D469 WeakPolarHBondContact OG1-CB 3.44Å; T466-D469 PolarHBondContact OG1-N 2.82Å; T466-D469 PolarHBondContact OG1-OD1 3.22Å; T466-D469 VanDerWaalsContact OG1-OD1 3.09Å; T466-D469 PolarHBondContact OG1-OD2 2.68Å; T466-V470 PolarHBondContact O-N 2.59Å
467	D	97.6	Very high	98	Very high	150 Å²	150	30 Å²	30	80%	0.802	16%	0.155	S	C	*	.	H	α-helix	trans	-65.1	-32.2	-179.2	-66.2	-25.6	0	0	0	112.6	V470 W471	D467-V470 PolarHBondContact O-N 3.4Å; D467-W471 WeakPolarHBondContact O-CB 3.41Å; D467-W471 PolarHBondContact O-N 3.48Å
468	I	96.6	Very high	98.1	Very high	53 Å²	53	32.9 Å²	32.9	27%	0.272	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-38.6	179.8	-166.8	62.8	0	0	0	111.6	T441 T466 V470 W471 E472	T441-I468 HydrophobicContact CG2-CG2 3.65Å; T441-I468 WeakPolarHBondContact OG1-CG2 3.42Å; T466-I468 VanDerWaalsContact C-N 3.26Å; T466-I468 PolarHBondContact O-N 3.34Å; I468-V470 VanDerWaalsContact C-N 3.35Å; I468-V470 PolarHBondContact O-N 2.72Å; I468-W471 HydrophobicContact CD1-CE3 4.14Å; I468-W471 PolarHBondContact O-N 3.5Å; I468-E472 WeakPolarHBondContact O-CG 3.2Å; I468-E472 PolarHBondContact O-N 3.29Å
469	D	97.5	Very high	98	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-42.2	176.9	-67.7	7.2	0	0	0	110.5	T441 S442 L464 T466 W471 E472 F473	T441-D469 PolarHBondContact N-OD1 3.31Å; T441-D469 PolarHBondContact N-OD2 3.11Å; T441-D469 PolarHBondContact OG1-OD1 3.19Å; S442-D469 WeakPolarHBondContact CB-OD2 3.3Å; S442-D469 PolarHBondContact N-OD2 3.05Å; S442-D469 PolarHBondContact OG-OD2 2.79Å; L464-D469 HydrophobicContact CD2-CB 4.3Å; T466-D469 PolarHBondContact O-N 2.85Å; T466-D469 WeakPolarHBondContact OG1-CB 3.44Å; T466-D469 PolarHBondContact OG1-N 2.82Å; T466-D469 PolarHBondContact OG1-OD1 3.22Å; T466-D469 VanDerWaalsContact OG1-OD1 3.09Å; T466-D469 PolarHBondContact OG1-OD2 2.68Å; D469-W471 VanDerWaalsContact C-N 3.34Å; D469-W471 PolarHBondContact O-N 2.86Å; D469-E472 PolarHBondContact O-N 2.96Å; D469-F473 WeakPolarHBondContact O-CB 3.36Å; D469-F473 WeakPolarHBondContact O-CD2 3.38Å; D469-F473 PolarHBondContact O-N 3.03Å; D469-F473 VanDerWaalsContact O-N 3.09Å
470	V	98.1	Very high	98	Very high	35 Å²	35	30.8 Å²	30.8	21%	0.212	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-45.7	175.8	177	0	0	0	0	110.6	L464 T466 D467 I468 F473 R474 D510	L464-V470 HydrophobicContact CB-CG2 4.18Å; T466-V470 PolarHBondContact O-N 2.59Å; D467-V470 PolarHBondContact O-N 3.4Å; I468-V470 VanDerWaalsContact C-N 3.35Å; I468-V470 PolarHBondContact O-N 2.72Å; V470-F473 PolarHBondContact O-N 2.73Å; V470-R474 PolarHBondContact O-N 3.09Å; V470-R474 VanDerWaalsContact O-N 3.1Å; V470-D510 HydrophobicContact CG1-CB 4.17Å
471	W	97.9	Very high	98	Very high	72 Å²	72	31.6 Å²	31.6	27%	0.273	16%	0.158	S	C	.	.	H	α-helix	trans	-63	-46.3	178.1	178.6	88	0	0	0	112.3	R401 D467 I468 D469 F473 R474 E475	R401-W471 HydrophobicContact CB-CH2 3.76Å; R401-W471 HydrophobicContact CG-CH2 3.85Å; R401-W471 HydrophobicContact CG-CZ3 4.23Å; R401-W471 VanDerWaalsContact NH1-CE3 3.31Å; D467-W471 WeakPolarHBondContact O-CB 3.41Å; D467-W471 PolarHBondContact O-N 3.48Å; I468-W471 HydrophobicContact CD1-CE3 4.14Å; I468-W471 PolarHBondContact O-N 3.5Å; D469-W471 VanDerWaalsContact C-N 3.34Å; D469-W471 PolarHBondContact O-N 2.86Å; W471-F473 VanDerWaalsContact C-N 3.29Å; W471-F473 PolarHBondContact O-N 2.69Å; W471-R474 VanDerWaalsContact O-CB 3.28Å; W471-R474 WeakPolarHBondContact O-CB 3.4Å; W471-R474 PolarHBondContact O-N 3.43Å; W471-R474 VanDerWaalsContact O-N 3.09Å; W471-E475 HydrophobicContact CD2-CG 4.23Å; W471-E475 HydrophobicContact CE3-CG 4.37Å; W471-E475 HydrophobicContact CH2-CG 3.58Å; W471-E475 HydrophobicContact CZ2-CG 3.49Å; W471-E475 VanDerWaalsContact CZ2-CG 3.49Å; W471-E475 HydrophobicContact CZ3-CG 4.05Å; W471-E475 PolarHBondContact O-N 3.27Å; W471-E475 VanDerWaalsContact O-N 3.08Å
472	E	97.5	Very high	98	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-38.1	179.9	-74.7	179.3	179.2	0	0	111.8	R401 P437 I468 D469 R474 E475 C476	R401-E472 IonicContact NH1-OE1 3.97Å; P437-E472 HydrophobicContact CB-CB 4.06Å; P437-E472 WeakPolarHBondContact CB-OE2 3.38Å; P437-E472 HydrophobicContact CG-CB 4.3Å; I468-E472 WeakPolarHBondContact O-CG 3.2Å; I468-E472 PolarHBondContact O-N 3.29Å; D469-E472 PolarHBondContact O-N 2.96Å; E472-R474 VanDerWaalsContact C-N 3.33Å; E472-R474 PolarHBondContact O-N 3.43Å; E472-E475 PolarHBondContact O-N 3.36Å; E472-C476 PolarHBondContact O-N 2.85Å; E472-C476 PolarHBondContact O-SG 2.67Å
473	F	98	Very high	98.1	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-35.4	174.3	-97.4	-68.6	0	0	0	113.7	L349 L351 P437 L464 D469 V470 W471 E475 C476 V477 V513 A517	L349-F473 HydrophobicContact CB-CE2 3.92Å; L349-F473 HydrophobicContact CB-CZ 3.57Å; L349-F473 HydrophobicContact CD2-CE2 3.63Å; L349-F473 HydrophobicContact CD2-CZ 3.61Å; L349-F473 HydrophobicContact CG-CE2 4.15Å; L349-F473 HydrophobicContact CG-CZ 3.7Å; L349-F473 VanDerWaalsContact O-CZ 3.28Å; L349-F473 WeakPolarHBondContact O-CZ 3.34Å; L351-F473 HydrophobicContact CD2-CD1 3.35Å; L351-F473 HydrophobicContact CD2-CE1 3.61Å; P437-F473 VanDerWaalsContact CD-CE2 3.49Å; P437-F473 HydrophobicContact CG-CD2 3.81Å; P437-F473 HydrophobicContact CG-CE2 3.57Å; P437-F473 HydrophobicContact CG-CG 4.42Å; P437-F473 HydrophobicContact CG-CZ 4.02Å; L464-F473 HydrophobicContact CD2-CD2 3.45Å; L464-F473 VanDerWaalsContact CD2-CD2 3.45Å; L464-F473 HydrophobicContact CD2-CE2 3.78Å; L464-F473 HydrophobicContact CD2-CG 4.35Å; D469-F473 WeakPolarHBondContact O-CB 3.36Å; D469-F473 WeakPolarHBondContact O-CD2 3.38Å; D469-F473 PolarHBondContact O-N 3.03Å; D469-F473 VanDerWaalsContact O-N 3.09Å; V470-F473 PolarHBondContact O-N 2.73Å; W471-F473 VanDerWaalsContact C-N 3.29Å; W471-F473 PolarHBondContact O-N 2.69Å; F473-E475 VanDerWaalsContact C-N 3.32Å; F473-C476 WeakPolarHBondContact O-CB 3.44Å; F473-C476 PolarHBondContact O-N 3.46Å; F473-V477 PolarHBondContact O-N 3.19Å; F473-V513 HydrophobicContact CB-CG1 3.78Å; F473-V513 HydrophobicContact CB-CG2 4.14Å; F473-V513 HydrophobicContact CD1-CG1 4.04Å; F473-V513 HydrophobicContact CD2-CG1 4.43Å; F473-V513 HydrophobicContact CG-CG1 3.82Å; F473-A517 HydrophobicContact CE1-CB 4.38Å
474	R	98	Very high	98.1	Very high	39 Å²	39	31.8 Å²	31.8	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-43.6	173.8	-171.5	-168.3	-62.4	156.1	11.2	111	V470 W471 E472 C476 V477 K478 D506 I509 D510	V470-R474 PolarHBondContact O-N 3.09Å; V470-R474 VanDerWaalsContact O-N 3.1Å; W471-R474 VanDerWaalsContact O-CB 3.28Å; W471-R474 WeakPolarHBondContact O-CB 3.4Å; W471-R474 PolarHBondContact O-N 3.43Å; W471-R474 VanDerWaalsContact O-N 3.09Å; E472-R474 VanDerWaalsContact C-N 3.33Å; E472-R474 PolarHBondContact O-N 3.43Å; R474-C476 VanDerWaalsContact C-N 3.35Å; R474-V477 PolarHBondContact O-N 2.87Å; R474-K478 PolarHBondContact O-N 3.32Å; R474-K478 VanDerWaalsContact O-N 3.12Å; R474-D506 WeakPolarHBondContact CD-OD1 3.34Å; R474-D506 WeakPolarHBondContact CD-OD2 3.48Å; R474-D506 IonicContact CZ-OD2 3.56Å; R474-D506 IonicContact NE-OD2 3.84Å; R474-D506 IonicContact NH1-OD2 3.33Å; R474-D506 PolarHBondContact NH1-OD2 3.35Å; R474-I509 HydrophobicContact CB-CG2 4.17Å; R474-I509 HydrophobicContact CG-CB 4.14Å; R474-I509 HydrophobicContact CG-CD1 4.19Å; R474-I509 HydrophobicContact CG-CG2 3.76Å; R474-D510 IonicContact CZ-OD1 3.51Å; R474-D510 IonicContact CZ-OD2 3.5Å; R474-D510 IonicContact NE-OD1 3.58Å; R474-D510 PolarHBondContact NE-OD1 3.39Å; R474-D510 IonicContact NE-OD2 2.75Å; R474-D510 VanDerWaalsContact NH2-CG 3.32Å; R474-D510 IonicContact NH2-OD1 3.66Å; R474-D510 PolarHBondContact NH2-OD1 2.9Å; R474-D510 IonicContact NH2-OD2 3.71Å; R474-D510 PolarHBondContact NH2-OD2 3.5Å
475	E	98.1	Very high	98.1	Very high	32 Å²	32	34.2 Å²	34.2	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-37.9	175.4	-63.7	-49.7	120	0	0	111.7	W471 E472 F473 V477 K478 L479	W471-E475 HydrophobicContact CD2-CG 4.23Å; W471-E475 HydrophobicContact CE3-CG 4.37Å; W471-E475 HydrophobicContact CH2-CG 3.58Å; W471-E475 HydrophobicContact CZ2-CG 3.49Å; W471-E475 VanDerWaalsContact CZ2-CG 3.49Å; W471-E475 HydrophobicContact CZ3-CG 4.05Å; W471-E475 PolarHBondContact O-N 3.27Å; W471-E475 VanDerWaalsContact O-N 3.08Å; E472-E475 PolarHBondContact O-N 3.36Å; F473-E475 VanDerWaalsContact C-N 3.32Å; E475-V477 PolarHBondContact O-N 3.18Å; E475-K478 PolarHBondContact O-N 2.86Å; E475-K478 VanDerWaalsContact O-N 3.13Å; E475-K478 WeakPolarHBondContact OE1-CD 3.37Å; E475-K478 IonicContact OE1-NZ 2.66Å; E475-K478 PolarHBondContact OE1-NZ 3.29Å; E475-L479 HydrophobicContact CB-CD1 4.2Å; E475-L479 WeakPolarHBondContact O-CB 3.5Å; E475-L479 WeakPolarHBondContact O-CG 3.18Å; E475-L479 PolarHBondContact O-N 2.85Å
476	C	98.4	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-52.9	-42.4	172.1	-68.7	0	0	0	0	112.4	L351 V435 E472 F473 R474 S480	L351-C476 HydrophobicContact CD2-CB 4.15Å; V435-C476 HydrophobicContact CG1-CB 4.18Å; V435-C476 HydrophobicContact CG2-CB 3.76Å; E472-C476 PolarHBondContact O-N 2.85Å; E472-C476 PolarHBondContact O-SG 2.67Å; F473-C476 WeakPolarHBondContact O-CB 3.44Å; F473-C476 PolarHBondContact O-N 3.46Å; R474-C476 VanDerWaalsContact C-N 3.35Å; C476-S480 VanDerWaalsContact O-CB 3.29Å; C476-S480 WeakPolarHBondContact O-CB 3.01Å; C476-S480 PolarHBondContact O-N 2.52Å; C476-S480 VanDerWaalsContact O-N 3.09Å; C476-S480 PolarHBondContact O-OG 3.47Å
477	V	98.5	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-47.7	176.6	172.8	0	0	0	0	111.5	L351 F473 R474 E475 S480 R481 P499 I509 V513	L351-V477 HydrophobicContact CD1-CG2 3.56Å; L351-V477 HydrophobicContact CD2-CG2 4.24Å; F473-V477 PolarHBondContact O-N 3.19Å; R474-V477 PolarHBondContact O-N 2.87Å; E475-V477 PolarHBondContact O-N 3.18Å; V477-S480 PolarHBondContact O-N 3.02Å; V477-R481 WeakPolarHBondContact O-CG 3.2Å; V477-R481 PolarHBondContact O-N 2.91Å; V477-P499 HydrophobicContact CG1-CG 3.84Å; V477-I509 HydrophobicContact CB-CG2 3.89Å; V477-I509 HydrophobicContact CG1-CD1 4.33Å; V477-I509 HydrophobicContact CG1-CG1 4.33Å; V477-I509 HydrophobicContact CG1-CG2 4.13Å; V477-I509 HydrophobicContact CG2-CG2 3.88Å; V477-V513 HydrophobicContact CG2-CG2 4.38Å
478	K	98.4	Very high	98.2	Very high	67 Å²	67	29.2 Å²	29.2	29%	0.291	15%	0.153	S	C	.	.	H	α-helix	trans	-62.7	-46.6	-178.5	-69.9	174.4	-178.7	170	0	111.9	R474 E475 R481 E482 D506 I509	R474-K478 PolarHBondContact O-N 3.32Å; R474-K478 VanDerWaalsContact O-N 3.12Å; E475-K478 PolarHBondContact O-N 2.86Å; E475-K478 VanDerWaalsContact O-N 3.13Å; E475-K478 WeakPolarHBondContact OE1-CD 3.37Å; E475-K478 IonicContact OE1-NZ 2.66Å; E475-K478 PolarHBondContact OE1-NZ 3.29Å; K478-R481 WeakPolarHBondContact O-CB 3.45Å; K478-R481 PolarHBondContact O-N 3.36Å; K478-E482 PolarHBondContact O-N 2.96Å; K478-D506 VanDerWaalsContact CE-OD1 3.28Å; K478-D506 WeakPolarHBondContact CE-OD1 3.26Å; K478-D506 IonicContact NZ-OD1 2.75Å; K478-D506 PolarHBondContact NZ-OD1 2.82Å; K478-D506 IonicContact NZ-OD2 2.69Å; K478-I509 HydrophobicContact CG-CD1 4.23Å
479	L	98.4	Very high	98.3	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-35.4	-179.3	-58.6	167.1	0	0	0	111.2	Y222 I398 I409 E475 E482 I483	Y222-L479 VanDerWaalsContact OH-CD2 3.26Å; Y222-L479 WeakPolarHBondContact OH-CD2 3.48Å; I398-L479 HydrophobicContact CD1-CB 4.18Å; I398-L479 HydrophobicContact CD1-CD1 3.85Å; I398-L479 HydrophobicContact CD1-CG 4.49Å; I409-L479 HydrophobicContact CD1-CD1 3.66Å; E475-L479 HydrophobicContact CB-CD1 4.2Å; E475-L479 WeakPolarHBondContact O-CB 3.5Å; E475-L479 WeakPolarHBondContact O-CG 3.18Å; E475-L479 PolarHBondContact O-N 2.85Å; L479-E482 WeakPolarHBondContact O-CB 3.46Å; L479-E482 PolarHBondContact O-N 2.56Å; L479-I483 WeakPolarHBondContact O-CG1 3.37Å; L479-I483 PolarHBondContact O-N 2.84Å
480	S	98.6	Very high	98.3	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-44.2	172.1	-61.4	0	0	0	0	112.1	F411 C476 V477 E482 I483 F484	F411-S480 WeakPolarHBondContact CE1-OG 3.37Å; C476-S480 VanDerWaalsContact O-CB 3.29Å; C476-S480 WeakPolarHBondContact O-CB 3.01Å; C476-S480 PolarHBondContact O-N 2.52Å; C476-S480 VanDerWaalsContact O-N 3.09Å; C476-S480 PolarHBondContact O-OG 3.47Å; V477-S480 PolarHBondContact O-N 3.02Å; S480-E482 VanDerWaalsContact C-N 3.34Å; S480-I483 PolarHBondContact O-N 2.96Å; S480-F484 PolarHBondContact O-N 2.84Å
481	R	98.4	Very high	98.3	Very high	46 Å²	46	32.6 Å²	32.6	17%	0.174	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-42.1	175.7	-76.5	171.7	167	175.1	-8.4	111.5	V477 K478 I483 F484 A485 E496 G500 V503	V477-R481 WeakPolarHBondContact O-CG 3.2Å; V477-R481 PolarHBondContact O-N 2.91Å; K478-R481 WeakPolarHBondContact O-CB 3.45Å; K478-R481 PolarHBondContact O-N 3.36Å; R481-I483 PolarHBondContact O-N 3.32Å; R481-F484 PolarHBondContact O-N 2.96Å; R481-A485 VanDerWaalsContact O-CB 3.28Å; R481-A485 WeakPolarHBondContact O-CB 3.47Å; R481-A485 PolarHBondContact O-N 3.5Å; R481-E496 WeakPolarHBondContact CG-OE1 3.21Å; R481-E496 IonicContact CZ-OE1 3.63Å; R481-E496 IonicContact CZ-OE2 3.94Å; R481-E496 IonicContact NE-OE1 2.65Å; R481-E496 PolarHBondContact NE-OE1 3.01Å; R481-E496 IonicContact NE-OE2 3.62Å; R481-E496 IonicContact NH2-OE1 2.83Å; R481-E496 PolarHBondContact NH2-OE1 3.48Å; R481-E496 IonicContact NH2-OE2 3.59Å; R481-E496 PolarHBondContact NH2-OE2 2.83Å; R481-G500 PolarHBondContact NH2-O 3.15Å; R481-V503 VanDerWaalsContact CZ-O 3.29Å; R481-V503 PolarHBondContact NH1-O 3.36Å; R481-V503 PolarHBondContact NH2-O 3.38Å
482	E	98.1	Very high	98.4	Very high	53 Å²	53	30.3 Å²	30.3	25%	0.248	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-47.3	175.7	-176	-172.8	-176.2	0	0	111.8	A220 K478 L479 S480 A485 Q486 R605	A220-E482 HydrophobicContact CB-CG 4.43Å; K478-E482 PolarHBondContact O-N 2.96Å; L479-E482 WeakPolarHBondContact O-CB 3.46Å; L479-E482 PolarHBondContact O-N 2.56Å; S480-E482 VanDerWaalsContact C-N 3.34Å; E482-A485 PolarHBondContact O-N 3.44Å; E482-Q486 WeakPolarHBondContact O-CG 3.48Å; E482-Q486 PolarHBondContact O-NE2 2.95Å; E482-R605 IonicContact OE1-CZ 3.21Å; E482-R605 VanDerWaalsContact OE1-CZ 3.23Å; E482-R605 IonicContact OE1-NH1 3.99Å; E482-R605 PolarHBondContact OE1-NH1 3.49Å; E482-R605 IonicContact OE1-NH2 3.28Å; E482-R605 PolarHBondContact OE1-NH2 2.78Å; E482-R605 IonicContact OE2-CZ 2.73Å; E482-R605 IonicContact OE2-NH1 3.22Å; E482-R605 PolarHBondContact OE2-NH1 2.65Å; E482-R605 IonicContact OE2-NH2 3.69Å
483	I	98.6	Very high	98.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-48.5	177.8	-68.2	168.4	0	0	0	110.2	F213 A216 A220 Y222 F411 L479 S480 R481 A485 Q486	F213-I483 HydrophobicContact CD2-CG2 4.21Å; F213-I483 HydrophobicContact CE2-CG2 4Å; A216-I483 HydrophobicContact CB-CG2 3.9Å; A216-I483 WeakPolarHBondContact CB-O 3.35Å; A220-I483 HydrophobicContact CB-CG1 4.2Å; Y222-I483 HydrophobicContact CD2-CD1 4.32Å; Y222-I483 HydrophobicContact CD2-CG1 4.38Å; Y222-I483 HydrophobicContact CE2-CD1 4.08Å; Y222-I483 HydrophobicContact CE2-CG1 4.04Å; F411-I483 HydrophobicContact CE1-CD1 4.33Å; F411-I483 HydrophobicContact CE2-CD1 4.43Å; F411-I483 HydrophobicContact CZ-CD1 4.08Å; L479-I483 WeakPolarHBondContact O-CG1 3.37Å; L479-I483 PolarHBondContact O-N 2.84Å; S480-I483 PolarHBondContact O-N 2.96Å; R481-I483 PolarHBondContact O-N 3.32Å; I483-A485 PolarHBondContact O-N 2.86Å; I483-Q486 WeakPolarHBondContact O-CB 3.32Å; I483-Q486 WeakPolarHBondContact O-CG 3.29Å; I483-Q486 PolarHBondContact O-N 2.89Å; I483-Q486 VanDerWaalsContact O-N 3.13Å
484	F	98.5	Very high	98.4	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-23.6	179.7	-74.6	-6.5	0	0	0	113.6	F213 V353 Q355 F413 Y431 V433 S480 R481 Q486 F489 R493	F213-F484 HydrophobicContact CD2-CE1 4.19Å; F213-F484 HydrophobicContact CE2-CE1 4.5Å; V353-F484 HydrophobicContact CG1-CD2 4.33Å; V353-F484 HydrophobicContact CG1-CE2 4.24Å; Q355-F484 HydrophobicContact CB-CD2 4.16Å; Q355-F484 HydrophobicContact CB-CE2 4.34Å; F413-F484 HydrophobicContact CD2-CE1 4.3Å; F413-F484 HydrophobicContact CE2-CE1 4.12Å; F413-F484 HydrophobicContact CE2-CZ 4.38Å; Y431-F484 HydrophobicContact CD2-CE1 4.17Å; Y431-F484 HydrophobicContact CD2-CE2 4.2Å; Y431-F484 AromaticContact CD2-CZ 3.87Å; Y431-F484 HydrophobicContact CD2-CZ 3.87Å; Y431-F484 HydrophobicContact CE2-CD1 4.13Å; Y431-F484 HydrophobicContact CE2-CD2 4.18Å; Y431-F484 HydrophobicContact CE2-CE1 4.01Å; Y431-F484 HydrophobicContact CE2-CE2 4.07Å; Y431-F484 HydrophobicContact CE2-CG 4.21Å; Y431-F484 AromaticContact CE2-CZ 3.98Å; Y431-F484 HydrophobicContact CE2-CZ 3.98Å; V433-F484 HydrophobicContact CB-CZ 4.33Å; V433-F484 HydrophobicContact CG1-CE1 4.01Å; V433-F484 HydrophobicContact CG1-CZ 3.86Å; V433-F484 HydrophobicContact CG2-CE2 4.33Å; V433-F484 HydrophobicContact CG2-CZ 3.96Å; S480-F484 PolarHBondContact O-N 2.84Å; R481-F484 PolarHBondContact O-N 2.96Å; F484-Q486 VanDerWaalsContact C-N 3.28Å; F484-Q486 PolarHBondContact O-N 3.31Å; F484-F489 HydrophobicContact CD1-CD2 4.17Å; F484-F489 AromaticContact CD1-CE2 3.63Å; F484-F489 HydrophobicContact CD1-CE2 3.63Å; F484-F489 AromaticContact CD1-CZ 3.94Å; F484-F489 HydrophobicContact CD1-CZ 3.94Å; F484-F489 HydrophobicContact CE1-CE2 4.11Å; F484-F489 AromaticContact CE1-CZ 4Å; F484-F489 HydrophobicContact CE1-CZ 4Å; F484-F489 WeakPolarHBondContact O-CB 3.48Å; F484-R493 WeakPolarHBondContact O-CD 3.33Å; F484-R493 PolarHBondContact O-NH1 2.74Å
485	A	98.3	Very high	98.3	Very high	58 Å²	58	35.7 Å²	35.7	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.4	176.3	0	0	0	0	0	114.1	R481 E482 I483 R493	R481-A485 VanDerWaalsContact O-CB 3.28Å; R481-A485 WeakPolarHBondContact O-CB 3.47Å; R481-A485 PolarHBondContact O-N 3.5Å; E482-A485 PolarHBondContact O-N 3.44Å; I483-A485 PolarHBondContact O-N 2.86Å; A485-R493 VanDerWaalsContact C-NH1 3.25Å; A485-R493 PolarHBondContact O-NH1 3.48Å
486	Q	98.8	Very high	98.3	Very high	46 Å²	46	35.4 Å²	35.4	22%	0.215	20%	0.198	C	C	.	.	S	Bend	trans	-68.9	156.3	-178.3	-58.9	-57.4	-43.3	0	0	113.2	A216 Q219 A220 E482 I483 F484 A488 F489 R493	A216-Q486 HydrophobicContact CB-CB 3.89Å; A216-Q486 HydrophobicContact CB-CG 4.4Å; A216-Q486 WeakPolarHBondContact O-CG 3.48Å; Q219-Q486 HydrophobicContact CB-CB 3.94Å; Q219-Q486 HydrophobicContact CB-CG 4.02Å; A220-Q486 HydrophobicContact CB-CG 4.02Å; E482-Q486 WeakPolarHBondContact O-CG 3.48Å; E482-Q486 PolarHBondContact O-NE2 2.95Å; I483-Q486 WeakPolarHBondContact O-CB 3.32Å; I483-Q486 WeakPolarHBondContact O-CG 3.29Å; I483-Q486 PolarHBondContact O-N 2.89Å; I483-Q486 VanDerWaalsContact O-N 3.13Å; F484-Q486 VanDerWaalsContact C-N 3.28Å; F484-Q486 PolarHBondContact O-N 3.31Å; Q486-A488 PolarHBondContact O-N 2.93Å; Q486-A488 VanDerWaalsContact O-N 3.17Å; Q486-F489 PolarHBondContact O-N 2.99Å; Q486-R493 PolarHBondContact O-NH1 3.15Å
487	S	98.6	Very high	98.1	Very high	65 Å²	65	37.7 Å²	37.7	46%	0.455	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.5	-172.7	66.5	0	0	0	0	114.4	Q219 F489 D490	Q219-S487 VanDerWaalsContact CD-OG 3.23Å; Q219-S487 PolarHBondContact NE2-OG 3.33Å; Q219-S487 VanDerWaalsContact OE1-N 3.09Å; Q219-S487 PolarHBondContact OE1-OG 2.88Å; S487-F489 PolarHBondContact O-N 3.36Å; S487-F489 VanDerWaalsContact O-N 3.1Å; S487-D490 WeakPolarHBondContact O-CB 3.3Å; S487-D490 PolarHBondContact O-N 3.16Å
488	A	98.6	Very high	98	Very high	18 Å²	18	39.2 Å²	39.2	15%	0.149	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.7	-23.7	176.3	0	0	0	0	0	113.2	A212 D215 A216 Q486	A212-A488 WeakPolarHBondContact O-CB 3.28Å; D215-A488 HydrophobicContact CB-CB 3.78Å; A216-A488 HydrophobicContact CB-CB 4.12Å; Q486-A488 PolarHBondContact O-N 2.93Å; Q486-A488 VanDerWaalsContact O-N 3.17Å
489	F	98.6	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-93.3	-9.1	175.9	-81.9	-67.4	0	0	0	114.4	L209 A212 F213 A216 F413 Y431 F484 Q486 S487 P491 F492 R493	L209-F489 HydrophobicContact CD2-CE1 4.39Å; A212-F489 HydrophobicContact CB-CD1 4.15Å; A212-F489 HydrophobicContact CB-CE1 3.99Å; A212-F489 HydrophobicContact CB-CZ 4.39Å; F213-F489 HydrophobicContact CB-CE2 4.45Å; F213-F489 HydrophobicContact CB-CZ 3.9Å; F213-F489 HydrophobicContact CD2-CE2 4.47Å; F213-F489 HydrophobicContact CD2-CZ 4.31Å; A216-F489 HydrophobicContact CB-CD2 3.55Å; A216-F489 HydrophobicContact CB-CE2 3.52Å; F413-F489 HydrophobicContact CE2-CE1 4.28Å; F413-F489 AromaticContact CE2-CZ 3.96Å; F413-F489 HydrophobicContact CE2-CZ 3.96Å; F413-F489 HydrophobicContact CZ-CE1 4.37Å; F413-F489 HydrophobicContact CZ-CZ 4.4Å; Y431-F489 HydrophobicContact CD2-CE1 4.18Å; Y431-F489 HydrophobicContact CE1-CD1 4.34Å; Y431-F489 HydrophobicContact CE1-CE1 4.48Å; Y431-F489 AromaticContact CE2-CD1 3.9Å; Y431-F489 HydrophobicContact CE2-CD1 3.9Å; Y431-F489 AromaticContact CE2-CE1 3.67Å; Y431-F489 HydrophobicContact CE2-CE1 3.67Å; Y431-F489 HydrophobicContact CE2-CZ 4.23Å; Y431-F489 AromaticContact CZ-CD1 3.64Å; Y431-F489 AromaticContact CZ-CE1 3.84Å; Y431-F489 WeakPolarHBondContact OH-CD1 3.4Å; F484-F489 HydrophobicContact CD1-CD2 4.17Å; F484-F489 AromaticContact CD1-CE2 3.63Å; F484-F489 HydrophobicContact CD1-CE2 3.63Å; F484-F489 AromaticContact CD1-CZ 3.94Å; F484-F489 HydrophobicContact CD1-CZ 3.94Å; F484-F489 HydrophobicContact CE1-CE2 4.11Å; F484-F489 AromaticContact CE1-CZ 4Å; F484-F489 HydrophobicContact CE1-CZ 4Å; F484-F489 WeakPolarHBondContact O-CB 3.48Å; Q486-F489 PolarHBondContact O-N 2.99Å; S487-F489 PolarHBondContact O-N 3.36Å; S487-F489 VanDerWaalsContact O-N 3.1Å; F489-P491 VanDerWaalsContact C-N 3.31Å; F489-P491 VanDerWaalsContact O-N 3.16Å; F489-F492 CarbonylContact O-C 3.56Å; F489-F492 PolarHBondContact O-N 2.91Å; F489-R493 HydrophobicContact CB-CB 4.29Å; F489-R493 VanDerWaalsContact O-CB 3.26Å; F489-R493 WeakPolarHBondContact O-CB 3.42Å; F489-R493 PolarHBondContact O-N 2.72Å
490	D	98.4	Very high	97.7	Very high	92 Å²	92	36.2 Å²	36.2	49%	0.492	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.8	-177.3	-67.3	-7.9	0	0	0	114	S487 F492 R493	S487-D490 WeakPolarHBondContact O-CB 3.3Å; S487-D490 PolarHBondContact O-N 3.16Å; D490-F492 PolarHBondContact O-N 2.57Å; D490-R493 IonicContact OD1-CZ 3.57Å; D490-R493 VanDerWaalsContact OD1-CZ 3.32Å; D490-R493 IonicContact OD1-NH1 2.76Å; D490-R493 PolarHBondContact OD1-NH1 2.84Å; D490-R493 IonicContact OD1-NH2 3.24Å; D490-R493 PolarHBondContact OD1-NH2 2.8Å
491	P	98.3	Very high	97.4	Very high	70 Å²	70	42 Å²	42	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.8	177.9	-21.7	34.9	0	0	0	114.4	T358 Q359 F489	T358-P491 PolarHBondContact OG1-O 3.44Å; Q359-P491 PolarHBondContact NE2-O 2.68Å; F489-P491 VanDerWaalsContact C-N 3.31Å; F489-P491 VanDerWaalsContact O-N 3.16Å
492	F	98.4	Very high	97.2	Very high	24 Å²	24	46.4 Å²	46.4	11%	0.105	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-23.8	-168.8	-49	-67	0	0	0	113.7	P208 L209 A212 C357 T358 Q359 I361 Y431 F489 D490 G494	P208-F492 HydrophobicContact CB-CZ 4.04Å; L209-F492 HydrophobicContact CD2-CB 3.71Å; L209-F492 HydrophobicContact CD2-CD1 3.94Å; L209-F492 HydrophobicContact CD2-CD2 3.73Å; L209-F492 HydrophobicContact CD2-CE2 4.34Å; L209-F492 HydrophobicContact CD2-CG 3.51Å; A212-F492 HydrophobicContact CB-CD2 4.16Å; A212-F492 HydrophobicContact CB-CE2 3.95Å; C357-F492 CarbonylContact C-O 3.22Å; C357-F492 VanDerWaalsContact CA-O 3.28Å; C357-F492 WeakPolarHBondContact CA-O 3.06Å; T358-F492 PolarHBondContact N-O 3.29Å; T358-F492 PolarHBondContact OG1-O 2.96Å; Q359-F492 HydrophobicContact CG-CD1 4.33Å; I361-F492 HydrophobicContact CD1-CD1 3.52Å; I361-F492 HydrophobicContact CD1-CE1 3.59Å; Y431-F492 HydrophobicContact CE1-CB 4.33Å; F489-F492 CarbonylContact O-C 3.56Å; F489-F492 PolarHBondContact O-N 2.91Å; D490-F492 PolarHBondContact O-N 2.57Å; F492-G494 PolarHBondContact O-N 3.42Å
493	R	98	Very high	97.2	Very high	77 Å²	77	44.2 Å²	44.2	29%	0.291	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.5	-168.2	-178.5	166	70.5	-117.1	-7	111.9	Q355 F484 A485 Q486 F489 D490	Q355-R493 HydrophobicContact CG-CG 3.94Å; F484-R493 WeakPolarHBondContact O-CD 3.33Å; F484-R493 PolarHBondContact O-NH1 2.74Å; A485-R493 VanDerWaalsContact C-NH1 3.25Å; A485-R493 PolarHBondContact O-NH1 3.48Å; Q486-R493 PolarHBondContact O-NH1 3.15Å; F489-R493 HydrophobicContact CB-CB 4.29Å; F489-R493 VanDerWaalsContact O-CB 3.26Å; F489-R493 WeakPolarHBondContact O-CB 3.42Å; F489-R493 PolarHBondContact O-N 2.72Å; D490-R493 IonicContact OD1-CZ 3.57Å; D490-R493 VanDerWaalsContact OD1-CZ 3.32Å; D490-R493 IonicContact OD1-NH1 2.76Å; D490-R493 PolarHBondContact OD1-NH1 2.84Å; D490-R493 IonicContact OD1-NH2 3.24Å; D490-R493 PolarHBondContact OD1-NH2 2.8Å
494	G	97.4	Very high	97.1	Very high	13 Å²	13	49.9 Å²	49.9	13%	0.134	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-162.9	164	0	0	0	0	0	111.4	Q355 Q356 F492	Q355-G494 PolarHBondContact NE2-O 2.57Å; Q356-G494 WeakPolarHBondContact O-CA 3.46Å; Q356-G494 PolarHBondContact O-N 2.74Å; F492-G494 PolarHBondContact O-N 3.42Å
495	P	96.6	Very high	97.1	Very high	76 Å²	76	52.3 Å²	52.3	49%	0.494	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	153.2	171.4	-24.7	34.4	0	0	0	114.1	Q355 Q356 V497	Q355-P495 VanDerWaalsContact NE2-C 3.27Å; Q355-P495 PolarHBondContact NE2-O 3.24Å; Q356-P495 WeakPolarHBondContact CB-O 3.48Å; Q356-P495 PolarHBondContact N-O 2.85Å; P495-V497 PolarHBondContact O-N 3.41Å
496	E	97.4	Very high	97.1	Very high	25 Å²	25	52.6 Å²	52.6	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.6	171.3	-173.4	-177.5	-115.7	0	0	109.5	Q355 R481 G500	Q355-E496 VanDerWaalsContact NE2-N 3.2Å; R481-E496 WeakPolarHBondContact CG-OE1 3.21Å; R481-E496 IonicContact CZ-OE1 3.63Å; R481-E496 IonicContact CZ-OE2 3.94Å; R481-E496 IonicContact NE-OE1 2.65Å; R481-E496 PolarHBondContact NE-OE1 3.01Å; R481-E496 IonicContact NE-OE2 3.62Å; R481-E496 IonicContact NH2-OE1 2.83Å; R481-E496 PolarHBondContact NH2-OE1 3.48Å; R481-E496 IonicContact NH2-OE2 3.59Å; R481-E496 PolarHBondContact NH2-OE2 2.83Å; E496-G500 VanDerWaalsContact OE2-CA 3.23Å; E496-G500 WeakPolarHBondContact OE2-CA 3.32Å; E496-G500 PolarHBondContact OE2-N 3.37Å
497	V	96.3	Very high	97.1	Very high	49 Å²	49	53.5 Å²	53.5	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-43.6	-179.6	175.1	0	0	0	0	110.4	Q354 Q356 I428 P495	Q354-V497 HydrophobicContact CB-CB 3.97Å; Q354-V497 HydrophobicContact CB-CG1 4.32Å; Q354-V497 PolarHBondContact O-N 2.69Å; Q356-V497 HydrophobicContact CB-CG2 3.9Å; I428-V497 HydrophobicContact CD1-CG1 4.48Å; I428-V497 HydrophobicContact CD1-CG2 3.69Å; P495-V497 PolarHBondContact O-N 3.41Å
498	Q	94.8	Very high	97	Very high	31 Å²	31	53.6 Å²	53.6	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	128.3	-178.8	-170.9	176.7	-4.6	0	0	108.6	V353 Q354 F512	V353-Q498 CarbonylContact C-O 3.01Å; V353-Q498 WeakPolarHBondContact CA-O 3.45Å; Q354-Q498 HydrophobicContact CB-CB 3.97Å; Q354-Q498 HydrophobicContact CG-CB 4.08Å; Q354-Q498 PolarHBondContact N-O 3.36Å; Q354-Q498 PolarHBondContact O-N 2.98Å; Q498-F512 HydrophobicContact CG-CE2 3.32Å; Q498-F512 HydrophobicContact CG-CZ 3.4Å
499	P	96.2	Very high	97	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.052	29%	0.292	C	S	.	.	S	Bend	cis	-67	-26.3	7.2	-20.1	31.2	0	0	0	116.6	V477 Q502 V503 F512	V477-P499 HydrophobicContact CG1-CG 3.84Å; P499-Q502 PolarHBondContact O-NE2 3.41Å; P499-V503 HydrophobicContact CB-CB 3.72Å; P499-V503 HydrophobicContact CB-CG1 3.75Å; P499-V503 HydrophobicContact CB-CG2 3.86Å; P499-F512 HydrophobicContact CB-CD1 3.85Å; P499-F512 HydrophobicContact CB-CD2 3.75Å; P499-F512 HydrophobicContact CB-CE1 3.96Å; P499-F512 HydrophobicContact CB-CE2 3.85Å; P499-F512 HydrophobicContact CB-CG 3.75Å; P499-F512 HydrophobicContact CB-CZ 3.98Å; P499-F512 HydrophobicContact CG-CD1 3.69Å; P499-F512 HydrophobicContact CG-CD2 4.41Å; P499-F512 HydrophobicContact CG-CE1 3.54Å; P499-F512 HydrophobicContact CG-CE2 4.27Å; P499-F512 HydrophobicContact CG-CG 4.15Å; P499-F512 HydrophobicContact CG-CZ 3.86Å
500	G	94.3	Very high	97	Very high	4 Å²	4	54 Å²	54	4%	0.041	30%	0.299	C	S	.	.			trans	103.5	155.4	-178.3	0	0	0	0	0	112.5	R481 E496 Q502 V503	R481-G500 PolarHBondContact NH2-O 3.15Å; E496-G500 VanDerWaalsContact OE2-CA 3.23Å; E496-G500 WeakPolarHBondContact OE2-CA 3.32Å; E496-G500 PolarHBondContact OE2-N 3.37Å; G500-Q502 PolarHBondContact O-N 3.17Å; G500-V503 PolarHBondContact O-N 2.94Å
501	L	92.4	Very high	97	Very high	123 Å²	123	50.6 Å²	50.6	64%	0.644	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.3	-172.4	-64.1	175.9	0	0	0	114.4	V503 Q504	L501-V503 VanDerWaalsContact C-N 3.31Å; L501-Q504 WeakPolarHBondContact O-CG 3.49Å; L501-Q504 PolarHBondContact O-NE2 3.35Å
502	Q	95.3	Very high	97	Very high	139 Å²	139	47.6 Å²	47.6	65%	0.65	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.4	176.9	72	-71	-14.5	0	0	114	P499 G500 Q504	P499-Q502 PolarHBondContact O-NE2 3.41Å; G500-Q502 PolarHBondContact O-N 3.17Å; Q502-Q504 PolarHBondContact O-N 2.98Å
503	V	97.6	Very high	97	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.042	26%	0.259	C	S	.	.			trans	-93	91.5	-178.2	179.6	0	0	0	0	108.5	R481 P499 G500 L501 D508 I509 F512	R481-V503 VanDerWaalsContact CZ-O 3.29Å; R481-V503 PolarHBondContact NH1-O 3.36Å; R481-V503 PolarHBondContact NH2-O 3.38Å; P499-V503 HydrophobicContact CB-CB 3.72Å; P499-V503 HydrophobicContact CB-CG1 3.75Å; P499-V503 HydrophobicContact CB-CG2 3.86Å; G500-V503 PolarHBondContact O-N 2.94Å; L501-V503 VanDerWaalsContact C-N 3.31Å; V503-D508 HydrophobicContact CB-CB 4.29Å; V503-D508 HydrophobicContact CG1-CB 3.8Å; V503-I509 HydrophobicContact CG1-CB 4.43Å; V503-I509 HydrophobicContact CG1-CG1 3.84Å; V503-F512 HydrophobicContact CG1-CB 4.12Å
504	Q	96.1	Very high	97	Very high	120 Å²	120	47.7 Å²	47.7	56%	0.561	26%	0.263	S	S	*	.			trans	-118	-47.9	-172.8	-65	-60.7	-41.2	0	0	112.8	L501 Q502 D508	L501-Q504 WeakPolarHBondContact O-CG 3.49Å; L501-Q504 PolarHBondContact O-NE2 3.35Å; Q502-Q504 PolarHBondContact O-N 2.98Å; Q504-D508 PolarHBondContact N-OD2 3.43Å
505	S	98.3	Very high	96.9	Very high	53 Å²	53	52.7 Å²	52.7	37%	0.371	28%	0.278	S	S	.	.	S	Bend	trans	-72.7	157.9	-178.3	72.1	0	0	0	0	111.5	A507 D508 I509	S505-A507 PolarHBondContact O-N 3.04Å; S505-D508 WeakPolarHBondContact CB-OD2 3.43Å; S505-D508 PolarHBondContact N-OD2 2.66Å; S505-D508 WeakPolarHBondContact O-CB 3.08Å; S505-D508 PolarHBondContact O-N 3.5Å; S505-D508 PolarHBondContact OG-N 3.44Å; S505-D508 VanDerWaalsContact OG-N 3.15Å; S505-D508 PolarHBondContact OG-OD2 3.09Å; S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 3.08Å
506	D	98.4	Very high	96.9	Very high	64 Å²	64	54.4 Å²	54.4	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-51.4	-42.1	172	-80.7	13.1	0	0	0	111.6	R474 K478 D508 I509 D510	R474-D506 WeakPolarHBondContact CD-OD1 3.34Å; R474-D506 WeakPolarHBondContact CD-OD2 3.48Å; R474-D506 IonicContact CZ-OD2 3.56Å; R474-D506 IonicContact NE-OD2 3.84Å; R474-D506 IonicContact NH1-OD2 3.33Å; R474-D506 PolarHBondContact NH1-OD2 3.35Å; K478-D506 VanDerWaalsContact CE-OD1 3.28Å; K478-D506 WeakPolarHBondContact CE-OD1 3.26Å; K478-D506 IonicContact NZ-OD1 2.75Å; K478-D506 PolarHBondContact NZ-OD1 2.82Å; K478-D506 IonicContact NZ-OD2 2.69Å; D506-D508 PolarHBondContact O-N 2.97Å; D506-I509 PolarHBondContact O-N 3.35Å; D506-D510 PolarHBondContact O-N 2.87Å
507	A	98.3	Very high	96.8	Very high	66 Å²	66	53.2 Å²	53.2	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-37	176.9	0	0	0	0	0	113.2	S505 A511	S505-A507 PolarHBondContact O-N 3.04Å; A507-A511 VanDerWaalsContact O-CB 3.31Å; A507-A511 WeakPolarHBondContact O-CB 3.3Å; A507-A511 PolarHBondContact O-N 2.96Å
508	D	98.3	Very high	96.8	Very high	66 Å²	66	52 Å²	52	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-42.7	175.4	-60.3	-47	0	0	0	110.8	V503 Q504 S505 D506 A511 F512	V503-D508 HydrophobicContact CB-CB 4.29Å; V503-D508 HydrophobicContact CG1-CB 3.8Å; Q504-D508 PolarHBondContact N-OD2 3.43Å; S505-D508 WeakPolarHBondContact CB-OD2 3.43Å; S505-D508 PolarHBondContact N-OD2 2.66Å; S505-D508 WeakPolarHBondContact O-CB 3.08Å; S505-D508 PolarHBondContact O-N 3.5Å; S505-D508 PolarHBondContact OG-N 3.44Å; S505-D508 VanDerWaalsContact OG-N 3.15Å; S505-D508 PolarHBondContact OG-OD2 3.09Å; D506-D508 PolarHBondContact O-N 2.97Å; D508-A511 PolarHBondContact O-N 3.37Å; D508-F512 WeakPolarHBondContact O-CB 3.41Å; D508-F512 PolarHBondContact O-N 2.86Å
509	I	98.6	Very high	96.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-48.7	178.5	-65.8	170.4	0	0	0	109.7	R474 V477 K478 V503 S505 D506 A511 F512 V513	R474-I509 HydrophobicContact CB-CG2 4.17Å; R474-I509 HydrophobicContact CG-CB 4.14Å; R474-I509 HydrophobicContact CG-CD1 4.19Å; R474-I509 HydrophobicContact CG-CG2 3.76Å; V477-I509 HydrophobicContact CB-CG2 3.89Å; V477-I509 HydrophobicContact CG1-CD1 4.33Å; V477-I509 HydrophobicContact CG1-CG1 4.33Å; V477-I509 HydrophobicContact CG1-CG2 4.13Å; V477-I509 HydrophobicContact CG2-CG2 3.88Å; K478-I509 HydrophobicContact CG-CD1 4.23Å; V503-I509 HydrophobicContact CG1-CB 4.43Å; V503-I509 HydrophobicContact CG1-CG1 3.84Å; S505-I509 WeakPolarHBondContact O-CG1 3.45Å; S505-I509 PolarHBondContact O-N 3.08Å; D506-I509 PolarHBondContact O-N 3.35Å; I509-A511 VanDerWaalsContact C-N 3.31Å; I509-A511 PolarHBondContact O-N 3.5Å; I509-F512 CarbonylContact O-C 3.59Å; I509-F512 WeakPolarHBondContact O-CA 3.47Å; I509-F512 WeakPolarHBondContact O-CB 3.27Å; I509-F512 PolarHBondContact O-N 3.42Å; I509-V513 HydrophobicContact CG2-CG2 4.26Å; I509-V513 WeakPolarHBondContact O-CG2 3.28Å; I509-V513 PolarHBondContact O-N 3.35Å
510	D	98.5	Very high	96.6	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-43	178.7	-63.2	-7.5	0	0	0	111.2	V470 R474 D506 F512 V513 R514	V470-D510 HydrophobicContact CG1-CB 4.17Å; R474-D510 IonicContact CZ-OD1 3.51Å; R474-D510 IonicContact CZ-OD2 3.5Å; R474-D510 IonicContact NE-OD1 3.58Å; R474-D510 PolarHBondContact NE-OD1 3.39Å; R474-D510 IonicContact NE-OD2 2.75Å; R474-D510 VanDerWaalsContact NH2-CG 3.32Å; R474-D510 IonicContact NH2-OD1 3.66Å; R474-D510 PolarHBondContact NH2-OD1 2.9Å; R474-D510 IonicContact NH2-OD2 3.71Å; R474-D510 PolarHBondContact NH2-OD2 3.5Å; D506-D510 PolarHBondContact O-N 2.87Å; D510-F512 VanDerWaalsContact C-N 3.31Å; D510-F512 PolarHBondContact O-N 3.43Å; D510-V513 PolarHBondContact O-N 3.33Å; D510-R514 WeakPolarHBondContact O-CG 3.41Å; D510-R514 PolarHBondContact O-N 3.29Å
511	A	98.3	Very high	96.6	Very high	19 Å²	19	52.6 Å²	52.6	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-36.2	176.1	0	0	0	0	0	111.9	A507 D508 I509 R515	A507-A511 VanDerWaalsContact O-CB 3.31Å; A507-A511 WeakPolarHBondContact O-CB 3.3Å; A507-A511 PolarHBondContact O-N 2.96Å; D508-A511 PolarHBondContact O-N 3.37Å; I509-A511 VanDerWaalsContact C-N 3.31Å; I509-A511 PolarHBondContact O-N 3.5Å; A511-R515 WeakPolarHBondContact O-CG 3.39Å; A511-R515 VanDerWaalsContact O-CZ 3.28Å; A511-R515 PolarHBondContact O-N 2.56Å; A511-R515 PolarHBondContact O-NH1 3.44Å; A511-R515 VanDerWaalsContact O-NH1 3.15Å
512	F	98.1	Very high	96.9	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-47	173.1	166.4	-96.1	0	0	0	111.9	L351 Q498 P499 V503 D508 I509 D510 R514 R515 K516	L351-F512 HydrophobicContact CD1-CE1 3.69Å; L351-F512 HydrophobicContact CD1-CZ 4.47Å; Q498-F512 HydrophobicContact CG-CE2 3.32Å; Q498-F512 HydrophobicContact CG-CZ 3.4Å; P499-F512 HydrophobicContact CB-CD1 3.85Å; P499-F512 HydrophobicContact CB-CD2 3.75Å; P499-F512 HydrophobicContact CB-CE1 3.96Å; P499-F512 HydrophobicContact CB-CE2 3.85Å; P499-F512 HydrophobicContact CB-CG 3.75Å; P499-F512 HydrophobicContact CB-CZ 3.98Å; P499-F512 HydrophobicContact CG-CD1 3.69Å; P499-F512 HydrophobicContact CG-CD2 4.41Å; P499-F512 HydrophobicContact CG-CE1 3.54Å; P499-F512 HydrophobicContact CG-CE2 4.27Å; P499-F512 HydrophobicContact CG-CG 4.15Å; P499-F512 HydrophobicContact CG-CZ 3.86Å; V503-F512 HydrophobicContact CG1-CB 4.12Å; D508-F512 WeakPolarHBondContact O-CB 3.41Å; D508-F512 PolarHBondContact O-N 2.86Å; I509-F512 CarbonylContact O-C 3.59Å; I509-F512 WeakPolarHBondContact O-CA 3.47Å; I509-F512 WeakPolarHBondContact O-CB 3.27Å; I509-F512 PolarHBondContact O-N 3.42Å; D510-F512 VanDerWaalsContact C-N 3.31Å; D510-F512 PolarHBondContact O-N 3.43Å; F512-R514 PolarHBondContact O-N 3.22Å; F512-R515 PolarHBondContact O-N 2.93Å; F512-K516 HydrophobicContact CD2-CB 4.36Å; F512-K516 HydrophobicContact CD2-CG 3.89Å; F512-K516 HydrophobicContact CE1-CB 4.43Å; F512-K516 HydrophobicContact CE2-CB 3.87Å; F512-K516 HydrophobicContact CE2-CG 3.53Å; F512-K516 HydrophobicContact CZ-CB 3.89Å; F512-K516 HydrophobicContact CZ-CG 4.09Å; F512-K516 WeakPolarHBondContact O-CB 3.41Å; F512-K516 PolarHBondContact O-N 2.97Å
513	V	97.8	Very high	97	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-50.3	178.2	170.3	0	0	0	0	110.1	L464 F473 V477 I509 D510 R515 K516 A517	L464-V513 HydrophobicContact CD1-CG1 3.77Å; L464-V513 HydrophobicContact CD2-CG1 4.44Å; F473-V513 HydrophobicContact CB-CG1 3.78Å; F473-V513 HydrophobicContact CB-CG2 4.14Å; F473-V513 HydrophobicContact CD1-CG1 4.04Å; F473-V513 HydrophobicContact CD2-CG1 4.43Å; F473-V513 HydrophobicContact CG-CG1 3.82Å; V477-V513 HydrophobicContact CG2-CG2 4.38Å; I509-V513 HydrophobicContact CG2-CG2 4.26Å; I509-V513 WeakPolarHBondContact O-CG2 3.28Å; I509-V513 PolarHBondContact O-N 3.35Å; D510-V513 PolarHBondContact O-N 3.33Å; V513-R515 VanDerWaalsContact C-N 3.27Å; V513-R515 PolarHBondContact O-N 3.04Å; V513-K516 PolarHBondContact O-N 2.83Å; V513-K516 VanDerWaalsContact O-N 3.09Å; V513-A517 HydrophobicContact CG1-CB 4.03Å; V513-A517 VanDerWaalsContact O-CB 3.26Å; V513-A517 WeakPolarHBondContact O-CB 3.18Å; V513-A517 PolarHBondContact O-N 3.22Å
514	R	97.8	Very high	97.1	Very high	100 Å²	100	41 Å²	41	38%	0.377	21%	0.209	S	C	.	.	H	α-helix	trans	-54.1	-43.3	176.7	-71.3	-170.1	-77	160.3	-11.8	112.8	H125 D127 R129 L464 D510 F512	H125-R514 WeakPolarHBondContact O-CD 3.44Å; H125-R514 WeakPolarHBondContact O-CG 3.5Å; D127-R514 IonicContact OD1-NH1 3.43Å; D127-R514 PolarHBondContact OD1-NH1 3.13Å; R129-R514 PolarHBondContact NH1-O 3.25Å; L464-R514 HydrophobicContact CD1-CG 4.13Å; D510-R514 WeakPolarHBondContact O-CG 3.41Å; D510-R514 PolarHBondContact O-N 3.29Å; F512-R514 PolarHBondContact O-N 3.22Å
515	R	96.6	Very high	97.2	Very high	119 Å²	119	35.3 Å²	35.3	45%	0.449	18%	0.182	S	C	.	.	H	α-helix	trans	-74.2	-22.7	-179.7	-71.7	-169.5	-56.2	-89.8	0.6	114.7	D127 R129 A511 F512 V513	D127-R515 WeakPolarHBondContact OD2-CG 3.1Å; R129-R515 PolarHBondContact NH1-O 2.87Å; R129-R515 VanDerWaalsContact NH1-O 3.14Å; A511-R515 WeakPolarHBondContact O-CG 3.39Å; A511-R515 VanDerWaalsContact O-CZ 3.28Å; A511-R515 PolarHBondContact O-N 2.56Å; A511-R515 PolarHBondContact O-NH1 3.44Å; A511-R515 VanDerWaalsContact O-NH1 3.15Å; F512-R515 PolarHBondContact O-N 2.93Å; V513-R515 VanDerWaalsContact C-N 3.27Å; V513-R515 PolarHBondContact O-N 3.04Å
516	K	95.8	Very high	97.2	Very high	112 Å²	112	32.8 Å²	32.8	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-131.1	-23.6	-163.6	-65.4	-64.6	-170.6	-179.6	0	116.7	F512 V513	F512-K516 HydrophobicContact CD2-CB 4.36Å; F512-K516 HydrophobicContact CD2-CG 3.89Å; F512-K516 HydrophobicContact CE1-CB 4.43Å; F512-K516 HydrophobicContact CE2-CB 3.87Å; F512-K516 HydrophobicContact CE2-CG 3.53Å; F512-K516 HydrophobicContact CZ-CB 3.89Å; F512-K516 HydrophobicContact CZ-CG 4.09Å; F512-K516 WeakPolarHBondContact O-CB 3.41Å; F512-K516 PolarHBondContact O-N 2.97Å; V513-K516 PolarHBondContact O-N 2.83Å; V513-K516 VanDerWaalsContact O-N 3.09Å
517	A	96.3	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.			trans	-61.8	146.8	174.2	0	0	0	0	0	110	M126 R129 L349 E350 L351 F473 V513	M126-A517 HydrophobicContact CE-CB 3.91Å; M126-A517 VanDerWaalsContact CE-O 3.25Å; M126-A517 WeakPolarHBondContact CE-O 3.36Å; R129-A517 VanDerWaalsContact CZ-O 3.27Å; R129-A517 PolarHBondContact NH1-O 3.2Å; R129-A517 PolarHBondContact NH2-O 3.32Å; L349-A517 HydrophobicContact CD2-CB 3.65Å; L349-A517 HydrophobicContact CG-CB 3.95Å; E350-A517 CarbonylContact O-C 3.58Å; E350-A517 VanDerWaalsContact O-CA 3.25Å; E350-A517 WeakPolarHBondContact O-CA 3.31Å; L351-A517 HydrophobicContact CB-CB 4.35Å; F473-A517 HydrophobicContact CE1-CB 4.38Å; V513-A517 HydrophobicContact CG1-CB 4.03Å; V513-A517 VanDerWaalsContact O-CB 3.26Å; V513-A517 WeakPolarHBondContact O-CB 3.18Å; V513-A517 PolarHBondContact O-N 3.22Å
518	D	94.6	Very high	97.3	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.118	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167.6	-178.8	-140.1	-55.8	0	0	0	110.7	R129 L349 E350 H421 A520	R129-D518 IonicContact NH2-OD2 3.35Å; R129-D518 PolarHBondContact NH2-OD2 3.29Å; L349-D518 CarbonylContact C-O 3.53Å; L349-D518 WeakPolarHBondContact CA-O 3.46Å; L349-D518 VanDerWaalsContact CD1-O 3.26Å; L349-D518 WeakPolarHBondContact CD1-O 3.48Å; E350-D518 PolarHBondContact N-O 3.1Å; E350-D518 PolarHBondContact O-N 2.92Å; E350-D518 VanDerWaalsContact O-O 3.14Å; H421-D518 IonicContact CE1-OD1 3.47Å; H421-D518 IonicContact CE1-OD2 3.55Å; H421-D518 PolarHBondContact CE1-OD2 3.09Å; H421-D518 IonicContact NE2-OD1 2.8Å; H421-D518 IonicContact NE2-OD2 3.6Å; H421-D518 PolarHBondContact NE2-OD2 3.49Å; D518-A520 PolarHBondContact O-N 3.4Å
519	S	94.6	Very high	97.3	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.1	-180	178.2	0	0	0	0	110.9	D347 Y463 Y521	D347-S519 WeakPolarHBondContact OD2-CB 3.32Å; D347-S519 PolarHBondContact OD2-OG 3.19Å; Y463-S519 WeakPolarHBondContact OH-CB 3.39Å; Y463-S519 PolarHBondContact OH-OG 3.08Å; S519-Y521 VanDerWaalsContact O-CD1 3.28Å; S519-Y521 WeakPolarHBondContact O-CD1 3.43Å; S519-Y521 VanDerWaalsContact O-CE1 3.27Å; S519-Y521 WeakPolarHBondContact O-CE1 3.29Å; S519-Y521 PolarHBondContact O-N 3.41Å; S519-Y521 WeakPolarHBondContact OG-CA 3.39Å; S519-Y521 PolarHBondContact OG-N 3.02Å
520	A	93.9	Very high	97.2	Very high	15 Å²	15	25.1 Å²	25.1	12%	0.124	11%	0.113	C	C	.	.			trans	-79	2.2	164.9	0	0	0	0	0	112.2	H348 E350 D518	H348-A520 HydrophobicContact CB-CB 3.92Å; H348-A520 WeakPolarHBondContact O-CB 3.44Å; H348-A520 PolarHBondContact O-N 3.23Å; E350-A520 HydrophobicContact CB-CB 4.36Å; E350-A520 HydrophobicContact CG-CB 3.81Å; E350-A520 WeakPolarHBondContact OE1-CB 3.13Å; D518-A520 PolarHBondContact O-N 3.4Å
521	Y	94.4	Very high	96.9	Very high	35 Å²	35	25.9 Å²	25.9	14%	0.137	12%	0.121	C	C	.	.	S	Bend	trans	64.4	47.1	177.7	-34.3	-51.5	0	0	0	114	L109 P134 R135 H421 S519 P523	L109-Y521 HydrophobicContact CD1-CE2 4.36Å; P134-Y521 VanDerWaalsContact CD-CD1 3.41Å; P134-Y521 HydrophobicContact CG-CD1 3.84Å; P134-Y521 HydrophobicContact CG-CD2 3.83Å; P134-Y521 HydrophobicContact CG-CE1 3.59Å; P134-Y521 HydrophobicContact CG-CE2 3.56Å; P134-Y521 HydrophobicContact CG-CG 3.92Å; R135-Y521 PolarHBondContact NH1-O 3.15Å; R135-Y521 PolarHBondContact NH2-O 3.34Å; R135-Y521 VanDerWaalsContact NH2-O 3.11Å; H421-Y521 PolarHBondContact CE1-OH 3.19Å; H421-Y521 AromaticContact ND1-CZ 3.77Å; H421-Y521 PolarHBondContact ND1-OH 3.2Å; S519-Y521 VanDerWaalsContact O-CD1 3.28Å; S519-Y521 WeakPolarHBondContact O-CD1 3.43Å; S519-Y521 VanDerWaalsContact O-CE1 3.27Å; S519-Y521 WeakPolarHBondContact O-CE1 3.29Å; S519-Y521 PolarHBondContact O-N 3.41Å; S519-Y521 WeakPolarHBondContact OG-CA 3.39Å; S519-Y521 PolarHBondContact OG-N 3.02Å; Y521-P523 WeakPolarHBondContact O-CD 3.23Å
522	H	97.7	Very high	96.4	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.093	15%	0.149	C	C	.	.			trans	-116.1	42.3	177.6	-62.4	142.6	0	0	0	113.2	D347 H348 S524 I562 N566 L567	D347-H522 WeakPolarHBondContact OD1-CA 3.13Å; D347-H522 WeakPolarHBondContact OD1-CB 3.49Å; D347-H522 PolarHBondContact OD1-N 3.16Å; H348-H522 HydrophobicContact CB-CB 4.16Å; H348-H522 AromaticContact CG-ND1 3.76Å; H348-H522 AromaticContact ND1-CG 3.62Å; H348-H522 AromaticContact ND1-ND1 3.13Å; H348-H522 PolarHBondContact ND1-ND1 3.45Å; H348-H522 VanDerWaalsContact ND1-ND1 3.13Å; H522-S524 PolarHBondContact O-N 2.81Å; H522-I562 HydrophobicContact CB-CD1 4.29Å; H522-I562 WeakPolarHBondContact O-CD1 3.43Å; H522-N566 PolarHBondContact CE1-ND2 3.17Å; H522-N566 PolarHBondContact NE2-ND2 3.07Å; H522-L567 HydrophobicContact CB-CD1 3.74Å; H522-L567 HydrophobicContact CB-CG 3.78Å; H522-L567 WeakPolarHBondContact O-CD1 3.13Å
523	P	97.9	Very high	96	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.039	18%	0.184	C	C	.	.			trans	-63	136.9	176.3	28.4	-34.9	0	0	0	110.5	W133 A309 I310 L345 Q346 Y521	W133-P523 HydrophobicContact CH2-CB 4.25Å; W133-P523 HydrophobicContact CZ3-CB 3.97Å; W133-P523 HydrophobicContact CZ3-CG 4.49Å; A309-P523 VanDerWaalsContact CB-C 3.42Å; A309-P523 HydrophobicContact CB-CB 4.23Å; A309-P523 WeakPolarHBondContact CB-O 3.48Å; I310-P523 HydrophobicContact CD1-CG 4.48Å; L345-P523 HydrophobicContact CD1-CB 3.95Å; Q346-P523 CarbonylContact O-C 3.27Å; Q346-P523 VanDerWaalsContact O-CA 3.3Å; Q346-P523 WeakPolarHBondContact O-CA 3.49Å; Y521-P523 WeakPolarHBondContact O-CD 3.23Å
524	S	98.7	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-153.5	-179.7	-172.4	61.2	0	0	0	0	111.9	Q346 H522 T526 A556	Q346-S524 PolarHBondContact N-O 2.99Å; Q346-S524 PolarHBondContact O-N 3.13Å; Q346-S524 PolarHBondContact O-OG 3.22Å; Q346-S524 VanDerWaalsContact O-OG 3.1Å; H522-S524 PolarHBondContact O-N 2.81Å; S524-T526 VanDerWaalsContact C-N 3.26Å; S524-T526 PolarHBondContact O-N 3.46Å; S524-T526 VanDerWaalsContact O-N 3.1Å; S524-A556 WeakPolarHBondContact CA-O 3.23Å; S524-A556 WeakPolarHBondContact CB-O 3.23Å
525	C	98.8	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.			trans	70.9	1.4	163.3	-52.3	0	0	0	0	118	N344 Q346 C527 K528 A556 S557 M559 I562	N344-C525 CarbonylContact O-C 3.49Å; N344-C525 WeakPolarHBondContact O-CB 3.29Å; Q346-C525 HydrophobicContact CB-CB 4.36Å; Q346-C525 HydrophobicContact CG-CB 4.35Å; C525-C527 VanDerWaalsContact C-N 3.25Å; C525-C527 PolarHBondContact O-N 3.38Å; C525-K528 PolarHBondContact O-N 3.01Å; C525-A556 PolarHBondContact N-O 3.27Å; C525-S557 CarbonylContact C-O 3.56Å; C525-S557 WeakPolarHBondContact CA-O 3.21Å; C525-S557 PolarHBondContact N-O 3.11Å; C525-M559 WeakPolarHBondContact CA-O 3.26Å; C525-M559 VanDerWaalsContact CB-O 3.28Å; C525-M559 WeakPolarHBondContact CB-O 3.41Å; C525-M559 VanDerWaalsContact SG-CB 3.59Å; C525-M559 PolarHBondContact SG-O 3.46Å; C525-I562 PolarHBondContact SG-N 3.12Å; C525-I562 VanDerWaalsContact SG-N 3.42Å
526	T	98.9	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-5.9	-176.8	49.6	0	0	0	0	116.9	A309 G342 N343 L345 M446 S524 S557	A309-T526 VanDerWaalsContact C-OG1 3.27Å; A309-T526 VanDerWaalsContact CA-OG1 3.32Å; A309-T526 WeakPolarHBondContact CA-OG1 3.43Å; A309-T526 WeakPolarHBondContact O-CB 3.49Å; A309-T526 WeakPolarHBondContact O-CG2 3.35Å; A309-T526 PolarHBondContact O-OG1 2.96Å; G342-T526 PolarHBondContact N-O 3.34Å; N343-T526 VanDerWaalsContact O-CA 3.29Å; N343-T526 WeakPolarHBondContact O-CA 3.38Å; L345-T526 HydrophobicContact CB-CG2 3.77Å; L345-T526 HydrophobicContact CD1-CG2 3.62Å; L345-T526 HydrophobicContact CG-CG2 4.24Å; M446-T526 HydrophobicContact CG-CG2 4.19Å; S524-T526 VanDerWaalsContact C-N 3.26Å; S524-T526 PolarHBondContact O-N 3.46Å; S524-T526 VanDerWaalsContact O-N 3.1Å; T526-S557 PolarHBondContact N-O 3.21Å; T526-S557 VanDerWaalsContact N-O 3.15Å; T526-S557 WeakPolarHBondContact OG1-CB 3.37Å
527	C	98.8	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	46.8	172.8	-65.2	0	0	0	0	109.2	C525 V538 V553 S557 I558	C525-C527 VanDerWaalsContact C-N 3.25Å; C525-C527 PolarHBondContact O-N 3.38Å; C527-V538 HydrophobicContact CB-CB 4.11Å; C527-V538 HydrophobicContact CB-CG1 3.82Å; C527-V553 HydrophobicContact CB-CG1 4.3Å; C527-S557 CarbonylContact C-O 3.58Å; C527-S557 WeakPolarHBondContact CA-O 3.28Å; C527-S557 WeakPolarHBondContact CB-OG 3.41Å; C527-S557 PolarHBondContact N-O 3.37Å; C527-I558 WeakPolarHBondContact O-CA 2.99Å
528	K	98.4	Very high	96	Very high	36 Å²	36	27.9 Å²	27.9	16%	0.157	18%	0.18	C	C	.	.			trans	-50	139.1	-165.9	79	173	-158	170.6	0	114.2	N344 C525 D534 T536 V538 V539 S557	N344-K528 HydrophobicContact CB-CD 4.5Å; C525-K528 PolarHBondContact O-N 3.01Å; K528-D534 WeakPolarHBondContact CE-OD2 3.14Å; K528-D534 IonicContact NZ-OD1 3.61Å; K528-D534 IonicContact NZ-OD2 3.43Å; K528-D534 PolarHBondContact NZ-OD2 2.96Å; K528-T536 VanDerWaalsContact CE-C 3.49Å; K528-T536 WeakPolarHBondContact CE-O 2.98Å; K528-T536 WeakPolarHBondContact CE-OG1 3.37Å; K528-T536 PolarHBondContact NZ-OG1 3.16Å; K528-V538 PolarHBondContact O-N 3.07Å; K528-V539 PolarHBondContact O-N 2.82Å; K528-S557 PolarHBondContact N-O 3.5Å
529	M	98.5	Very high	96.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-66.1	144.7	164.6	-81.2	179.8	-55	0	0	110.1	A166 W169 V539 I558 P560 M574	A166-M529 HydrophobicContact CB-CB 4.07Å; A166-M529 HydrophobicContact CB-CE 4.36Å; W169-M529 HydrophobicContact CD2-CE 3.97Å; W169-M529 HydrophobicContact CD2-SD 4.25Å; W169-M529 HydrophobicContact CE3-CE 4.45Å; W169-M529 HydrophobicContact CG-CE 4.25Å; W169-M529 HydrophobicContact CZ2-CE 4.34Å; W169-M529 HydrophobicContact CZ2-SD 3.89Å; M529-V539 WeakPolarHBondContact CA-O 3.49Å; M529-V539 HydrophobicContact CB-CG2 4.24Å; M529-V539 HydrophobicContact CG-CG2 3.45Å; M529-V539 VanDerWaalsContact CG-CG2 3.45Å; M529-I558 VanDerWaalsContact CB-O 3.32Å; M529-I558 WeakPolarHBondContact CB-O 3.28Å; M529-I558 HydrophobicContact CE-CD1 4.28Å; M529-I558 HydrophobicContact CE-CG1 4.04Å; M529-I558 WeakPolarHBondContact CE-O 3.08Å; M529-I558 HydrophobicContact CG-CB 4.06Å; M529-I558 HydrophobicContact CG-CD1 4.45Å; M529-I558 HydrophobicContact CG-CG1 4.31Å; M529-I558 VanDerWaalsContact CG-O 3.32Å; M529-I558 WeakPolarHBondContact CG-O 3.42Å; M529-I558 PolarHBondContact N-O 3.5Å; M529-I558 HydrophobicContact SD-CD1 3.97Å; M529-I558 HydrophobicContact SD-CG1 4.2Å; M529-P560 HydrophobicContact CB-CG 3.93Å; M529-P560 HydrophobicContact CE-CG 4.42Å; M529-M574 HydrophobicContact CE-SD 4.41Å
530	G	96.9	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.179	C	C	.	.			trans	-173.4	177.3	170	0	0	0	0	0	112.2	V539	G530-V539 PolarHBondContact N-O 2.92Å; G530-V539 VanDerWaalsContact N-O 3.08Å
531	S	92.5	Very high	96.6	Very high	43 Å²	43	28.4 Å²	28.4	30%	0.301	18%	0.183	S	C	.	.			trans	-64.7	155	173.2	72.9	0	0	0	0	111.1	G165 S533 D534	G165-S531 PolarHBondContact O-N 3.36Å; S531-S533 PolarHBondContact O-N 2.66Å; S531-S533 VanDerWaalsContact O-N 3.09Å; S531-S533 PolarHBondContact OG-N 3.43Å; S531-S533 PolarHBondContact OG-OG 2.83Å; S531-D534 WeakPolarHBondContact O-CB 3.48Å; S531-D534 PolarHBondContact O-N 3.09Å; S531-D534 PolarHBondContact OG-N 2.8Å
532	A	86.6	Confident	96.7	Very high	92 Å²	92	28.8 Å²	28.8	76%	0.76	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.3	175.1	0	0	0	0	0	113.5
533	S	90.9	Very high	96.8	Very high	107 Å²	107	27.8 Å²	27.8	75%	0.748	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.9	174.3	45.3	0	0	0	0	114.3	S531 P535	S531-S533 PolarHBondContact O-N 2.66Å; S531-S533 VanDerWaalsContact O-N 3.09Å; S531-S533 PolarHBondContact OG-N 3.43Å; S531-S533 PolarHBondContact OG-OG 2.83Å; S533-P535 VanDerWaalsContact O-CD 3.31Å; S533-P535 WeakPolarHBondContact O-CD 3.47Å
534	D	95.8	Very high	96.8	Very high	34 Å²	34	33.5 Å²	33.5	18%	0.182	21%	0.206	C	C	.	.			trans	-77.3	112.9	174.5	177.9	-9.4	0	0	0	109.2	K528 S531 T536 A537	K528-D534 WeakPolarHBondContact CE-OD2 3.14Å; K528-D534 IonicContact NZ-OD1 3.61Å; K528-D534 IonicContact NZ-OD2 3.43Å; K528-D534 PolarHBondContact NZ-OD2 2.96Å; S531-D534 WeakPolarHBondContact O-CB 3.48Å; S531-D534 PolarHBondContact O-N 3.09Å; S531-D534 PolarHBondContact OG-N 2.8Å; D534-T536 PolarHBondContact O-N 2.77Å; D534-T536 WeakPolarHBondContact OD1-CA 3.44Å; D534-T536 PolarHBondContact OD1-N 3.1Å; D534-T536 PolarHBondContact OD1-OG1 3.05Å; D534-A537 HydrophobicContact CB-CB 3.88Å; D534-A537 PolarHBondContact O-N 2.99Å; D534-A537 VanDerWaalsContact O-N 3.11Å; D534-A537 PolarHBondContact OD1-N 3.17Å
535	P	95.1	Very high	96.8	Very high	103 Å²	103	33.6 Å²	33.6	67%	0.669	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.9	-176.3	29.6	-36.4	0	0	0	113.4	S533	S533-P535 VanDerWaalsContact O-CD 3.31Å; S533-P535 WeakPolarHBondContact O-CD 3.47Å
536	T	96	Very high	96.8	Very high	63 Å²	63	35.2 Å²	35.2	39%	0.387	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-1.7	179.9	62.5	0	0	0	0	113	G340 K528 D534	G340-T536 WeakPolarHBondContact CA-O 3.17Å; K528-T536 VanDerWaalsContact CE-C 3.49Å; K528-T536 WeakPolarHBondContact CE-O 2.98Å; K528-T536 WeakPolarHBondContact CE-OG1 3.37Å; K528-T536 PolarHBondContact NZ-OG1 3.16Å; D534-T536 PolarHBondContact O-N 2.77Å; D534-T536 WeakPolarHBondContact OD1-CA 3.44Å; D534-T536 PolarHBondContact OD1-N 3.1Å; D534-T536 PolarHBondContact OD1-OG1 3.05Å
537	A	98.3	Very high	96.7	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	24%	0.24	C	C	.	.			trans	-68	145.2	172.1	0	0	0	0	0	110.7	D534 L546	D534-A537 HydrophobicContact CB-CB 3.88Å; D534-A537 PolarHBondContact O-N 2.99Å; D534-A537 VanDerWaalsContact O-N 3.11Å; D534-A537 PolarHBondContact OD1-N 3.17Å; A537-L546 HydrophobicContact CB-CD1 3.73Å
538	V	98.8	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.244	C	C	.	.			trans	-111.2	-37.5	178.2	175.8	0	0	0	0	110.7	L316 L338 G340 V341 C527 K528 V545 L546	L316-V538 HydrophobicContact CD1-CG1 4.17Å; L338-V538 HydrophobicContact CD1-CG1 4.37Å; G340-V538 VanDerWaalsContact C-CG2 3.42Å; V341-V538 HydrophobicContact CB-CG2 4.48Å; V341-V538 HydrophobicContact CG2-CB 4.47Å; V341-V538 HydrophobicContact CG2-CG1 3.76Å; V341-V538 HydrophobicContact CG2-CG2 3.86Å; C527-V538 HydrophobicContact CB-CB 4.11Å; C527-V538 HydrophobicContact CB-CG1 3.82Å; K528-V538 PolarHBondContact O-N 3.07Å; V538-V545 WeakPolarHBondContact O-CA 3.29Å; V538-L546 PolarHBondContact O-N 3.24Å
539	V	98.8	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-125.2	154	175.7	-57.1	0	0	0	0	111.2	K528 M529 G530 R544 V545 V553 I558	K528-V539 PolarHBondContact O-N 2.82Å; M529-V539 WeakPolarHBondContact CA-O 3.49Å; M529-V539 HydrophobicContact CB-CG2 4.24Å; M529-V539 HydrophobicContact CG-CG2 3.45Å; M529-V539 VanDerWaalsContact CG-CG2 3.45Å; G530-V539 PolarHBondContact N-O 2.92Å; G530-V539 VanDerWaalsContact N-O 3.08Å; V539-R544 CarbonylContact C-O 3.47Å; V539-R544 WeakPolarHBondContact CA-O 3.35Å; V539-R544 WeakPolarHBondContact CB-O 3.33Å; V539-V545 HydrophobicContact CG1-CG2 4.07Å; V539-V553 HydrophobicContact CG1-CB 4.03Å; V539-V553 HydrophobicContact CG1-CG2 4.11Å; V539-I558 HydrophobicContact CG2-CB 4Å; V539-I558 HydrophobicContact CG2-CG2 3.99Å
540	D	98.4	Very high	96.7	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.139	27%	0.273	C	S	.	.			trans	-79.3	179.6	169.3	69.9	13.5	0	0	0	112.3	S542 A543 R544 L546	D540-S542 PolarHBondContact O-N 2.96Å; D540-S542 VanDerWaalsContact O-N 3.13Å; D540-S542 VanDerWaalsContact OD1-C 3.24Å; D540-S542 VanDerWaalsContact OD1-CA 3.25Å; D540-S542 WeakPolarHBondContact OD1-CA 3.38Å; D540-S542 VanDerWaalsContact OD1-CB 3.3Å; D540-S542 WeakPolarHBondContact OD1-CB 3.43Å; D540-S542 PolarHBondContact OD1-N 2.99Å; D540-A543 WeakPolarHBondContact O-CA 3.42Å; D540-A543 PolarHBondContact O-N 3.19Å; D540-A543 PolarHBondContact OD1-N 3.28Å; D540-A543 VanDerWaalsContact OD1-N 3.1Å; D540-R544 PolarHBondContact N-O 3.28Å; D540-R544 WeakPolarHBondContact OD1-CB 3.49Å; D540-R544 PolarHBondContact OD1-N 3Å; D540-R544 IonicContact OD1-NE 3.04Å; D540-R544 IonicContact OD2-CZ 3.86Å; D540-R544 IonicContact OD2-NE 2.66Å; D540-R544 PolarHBondContact OD2-NE 3.39Å; D540-R544 IonicContact OD2-NH2 2.97Å; D540-R544 PolarHBondContact OD2-NH2 2.9Å; D540-L546 HydrophobicContact CB-CD2 3.92Å
541	S	97.6	Very high	96.8	Very high	29 Å²	29	45.3 Å²	45.3	20%	0.203	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.8	179.3	-40.5	0	0	0	0	114.1	E167 W169 A543	E167-S541 PolarHBondContact N-OG 3.02Å; E167-S541 WeakPolarHBondContact O-CB 3.24Å; W169-S541 PolarHBondContact NE1-O 2.76Å; S541-A543 VanDerWaalsContact C-N 3.33Å
542	S	97.8	Very high	97.1	Very high	42 Å²	42	44.2 Å²	44.2	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.6	169.9	-67.4	0	0	0	0	112.3	D540 R544 R552	D540-S542 PolarHBondContact O-N 2.96Å; D540-S542 VanDerWaalsContact O-N 3.13Å; D540-S542 VanDerWaalsContact OD1-C 3.24Å; D540-S542 VanDerWaalsContact OD1-CA 3.25Å; D540-S542 WeakPolarHBondContact OD1-CA 3.38Å; D540-S542 VanDerWaalsContact OD1-CB 3.3Å; D540-S542 WeakPolarHBondContact OD1-CB 3.43Å; D540-S542 PolarHBondContact OD1-N 2.99Å; S542-R544 PolarHBondContact O-N 2.82Å; S542-R552 PolarHBondContact O-NH1 2.91Å
543	A	98.5	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.			trans	64.8	18.7	-178.6	0	0	0	0	0	114.7	D540 S541 R552 V553 V554 I558	D540-A543 WeakPolarHBondContact O-CA 3.42Å; D540-A543 PolarHBondContact O-N 3.19Å; D540-A543 PolarHBondContact OD1-N 3.28Å; D540-A543 VanDerWaalsContact OD1-N 3.1Å; S541-A543 VanDerWaalsContact C-N 3.33Å; A543-R552 WeakPolarHBondContact O-CA 3.42Å; A543-R552 WeakPolarHBondContact O-CB 3.25Å; A543-R552 WeakPolarHBondContact O-CG 3.25Å; A543-V553 WeakPolarHBondContact CB-O 3.4Å; A543-V553 PolarHBondContact O-N 3.07Å; A543-V553 VanDerWaalsContact O-N 3.15Å; A543-V554 HydrophobicContact CB-CG2 4.04Å; A543-I558 HydrophobicContact CB-CD1 4.2Å
544	R	98.8	Very high	98.1	Very high	125 Å²	125	34.7 Å²	34.7	47%	0.472	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-80.9	134.8	174.7	-60.1	177.2	-66.7	-170.1	0.4	110	V539 D540 S542 L546 R552	V539-R544 CarbonylContact C-O 3.47Å; V539-R544 WeakPolarHBondContact CA-O 3.35Å; V539-R544 WeakPolarHBondContact CB-O 3.33Å; D540-R544 PolarHBondContact N-O 3.28Å; D540-R544 WeakPolarHBondContact OD1-CB 3.49Å; D540-R544 PolarHBondContact OD1-N 3Å; D540-R544 IonicContact OD1-NE 3.04Å; D540-R544 IonicContact OD2-CZ 3.86Å; D540-R544 IonicContact OD2-NE 2.66Å; D540-R544 PolarHBondContact OD2-NE 3.39Å; D540-R544 IonicContact OD2-NH2 2.97Å; D540-R544 PolarHBondContact OD2-NH2 2.9Å; S542-R544 PolarHBondContact O-N 2.82Å; R544-L546 PolarHBondContact O-N 2.94Å; R544-R552 HydrophobicContact CG-CG 4.28Å
545	V	98.8	Very high	98.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-66.7	125.8	175.9	-178.4	0	0	0	0	109.6	L316 V321 L338 V538 V539 G547 L548 L551 V553	L316-V545 HydrophobicContact CD2-CG2 4.47Å; V321-V545 HydrophobicContact CG1-CG1 4.3Å; L338-V545 HydrophobicContact CD1-CG1 3.64Å; V538-V545 WeakPolarHBondContact O-CA 3.29Å; V539-V545 HydrophobicContact CG1-CG2 4.07Å; V545-G547 PolarHBondContact O-N 3.11Å; V545-L548 HydrophobicContact CB-CB 4.48Å; V545-L548 HydrophobicContact CG1-CB 4.48Å; V545-L548 HydrophobicContact CG1-CD1 3.88Å; V545-L548 HydrophobicContact CG1-CG 4.49Å; V545-L548 PolarHBondContact O-N 3.5Å; V545-L551 HydrophobicContact CB-CB 4.36Å; V545-L551 HydrophobicContact CB-CD2 4.16Å; V545-L551 HydrophobicContact CB-CG 4.2Å; V545-L551 HydrophobicContact CG1-CD2 4.4Å; V545-L551 HydrophobicContact CG2-CB 4.29Å; V545-L551 HydrophobicContact CG2-CD2 3.91Å; V545-L551 HydrophobicContact CG2-CG 3.71Å; V545-L551 PolarHBondContact N-O 3.46Å; V545-V553 HydrophobicContact CG2-CG2 3.8Å
546	L	98.6	Very high	98.4	Very high	33 Å²	33	29 Å²	29	17%	0.173	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	135.6	-174.7	-66.2	175.6	0	0	0	111.3	L338 A537 V538 D540 R544 L548	L338-L546 HydrophobicContact CD2-CB 4.03Å; A537-L546 HydrophobicContact CB-CD1 3.73Å; V538-L546 PolarHBondContact O-N 3.24Å; D540-L546 HydrophobicContact CB-CD2 3.92Å; R544-L546 PolarHBondContact O-N 2.94Å; L546-L548 PolarHBondContact O-N 2.97Å
547	G	97.2	Very high	98.5	Very high	50 Å²	50	26 Å²	26	52%	0.515	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-2.3	-179.3	0	0	0	0	0	115.4	V545	V545-G547 PolarHBondContact O-N 3.11Å
548	L	98.5	Very high	98.6	Very high	15 Å²	15	25.9 Å²	25.9	8%	0.079	14%	0.137	C	C	.	.			trans	-121.9	146.6	-179	-65.2	174.4	0	0	0	112	F278 N281 V321 I335 Q336 V545 L546 L551	F278-L548 HydrophobicContact CE1-CD1 3.96Å; F278-L548 HydrophobicContact CE1-CD2 4.06Å; F278-L548 HydrophobicContact CZ-CD1 4.08Å; N281-L548 HydrophobicContact CB-CD2 4.28Å; N281-L548 WeakPolarHBondContact O-CA 3.26Å; N281-L548 WeakPolarHBondContact O-CD2 3.26Å; V321-L548 HydrophobicContact CB-CD1 4.45Å; V321-L548 HydrophobicContact CG1-CD1 3.98Å; V321-L548 HydrophobicContact CG2-CD1 3.57Å; I335-L548 HydrophobicContact CG2-CD2 4.02Å; Q336-L548 HydrophobicContact CB-CD1 4.1Å; Q336-L548 HydrophobicContact CB-CD2 3.96Å; Q336-L548 HydrophobicContact CB-CG 4.04Å; Q336-L548 HydrophobicContact CG-CD1 4.49Å; Q336-L548 HydrophobicContact CG-CG 4.21Å; V545-L548 HydrophobicContact CB-CB 4.48Å; V545-L548 HydrophobicContact CG1-CB 4.48Å; V545-L548 HydrophobicContact CG1-CD1 3.88Å; V545-L548 HydrophobicContact CG1-CG 4.49Å; V545-L548 PolarHBondContact O-N 3.5Å; L546-L548 PolarHBondContact O-N 2.97Å; L548-L551 HydrophobicContact CD1-CD2 3.86Å
549	E	98.6	Very high	98.6	Very high	97 Å²	97	25.9 Å²	25.9	45%	0.453	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-94.3	143.5	175.2	-67.5	177.2	-153.4	0	0	110.6	N281 R282 A283 L551	N281-E549 PolarHBondContact ND2-OE1 2.85Å; N281-E549 PolarHBondContact O-N 3.01Å; R282-E549 HydrophobicContact CB-CB 4.21Å; R282-E549 HydrophobicContact CG-CB 4.24Å; A283-E549 PolarHBondContact N-O 3.41Å; E549-L551 PolarHBondContact O-N 2.5Å
550	R	98.6	Very high	98.6	Very high	85 Å²	85	26.2 Å²	26.2	32%	0.321	14%	0.139	S	C	.	.	S	Bend	trans	60.3	28.6	169.3	-62.8	173.6	173.5	-131.1	4.1	114.8	R282 D300 K301 E302 V303	R282-R550 HydrophobicContact CG-CB 4.47Å; R282-R550 HydrophobicContact CG-CG 4.41Å; D300-R550 PolarHBondContact O-NH1 3.32Å; K301-R550 VanDerWaalsContact O-CB 3.23Å; K301-R550 WeakPolarHBondContact O-CB 3.4Å; K301-R550 WeakPolarHBondContact O-CD 3.5Å; K301-R550 WeakPolarHBondContact O-CG 3.35Å; K301-R550 PolarHBondContact O-NH1 2.89Å; E302-R550 WeakPolarHBondContact CA-O 3.42Å; E302-R550 HydrophobicContact CG-CB 4.38Å; V303-R550 PolarHBondContact N-O 2.91Å
551	L	98.9	Very high	98.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.3	174.5	-174.5	61.5	0	0	0	110	I276 F278 A283 V303 L305 L316 V545 L548 E549	I276-L551 HydrophobicContact CD1-CD1 4.03Å; I276-L551 HydrophobicContact CD1-CD2 4.1Å; F278-L551 HydrophobicContact CE1-CD2 4.32Å; F278-L551 HydrophobicContact CZ-CD2 4.09Å; A283-L551 HydrophobicContact CB-CB 3.91Å; A283-L551 HydrophobicContact CB-CD1 4.34Å; V303-L551 HydrophobicContact CB-CD1 4Å; V303-L551 HydrophobicContact CG1-CD1 3.97Å; V303-L551 WeakPolarHBondContact O-CA 3.5Å; L305-L551 HydrophobicContact CD2-CD1 4.38Å; L305-L551 HydrophobicContact CG-CD1 4.19Å; L316-L551 HydrophobicContact CD2-CD2 3.83Å; V545-L551 HydrophobicContact CB-CB 4.36Å; V545-L551 HydrophobicContact CB-CD2 4.16Å; V545-L551 HydrophobicContact CB-CG 4.2Å; V545-L551 HydrophobicContact CG1-CD2 4.4Å; V545-L551 HydrophobicContact CG2-CB 4.29Å; V545-L551 HydrophobicContact CG2-CD2 3.91Å; V545-L551 HydrophobicContact CG2-CG 3.71Å; V545-L551 PolarHBondContact N-O 3.46Å; L548-L551 HydrophobicContact CD1-CD2 3.86Å; E549-L551 PolarHBondContact O-N 2.5Å
552	R	98.9	Very high	98.6	Very high	19 Å²	19	24.5 Å²	24.5	7%	0.072	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.2	172.3	-62.4	-165.5	-163.6	-121.6	0.3	111.6	E302 V303 I304 L305 S542 A543 R544 V554	E302-R552 IonicContact OE1-CZ 3Å; E302-R552 IonicContact OE1-NE 2.72Å; E302-R552 PolarHBondContact OE1-NE 2.82Å; E302-R552 IonicContact OE1-NH2 3.51Å; E302-R552 PolarHBondContact OE1-NH2 3.22Å; E302-R552 WeakPolarHBondContact OE2-CD 3.29Å; E302-R552 WeakPolarHBondContact OE2-CG 3.17Å; E302-R552 IonicContact OE2-CZ 3.49Å; E302-R552 IonicContact OE2-NE 3.02Å; E302-R552 PolarHBondContact OE2-NE 3.13Å; E302-R552 IonicContact OE2-NH2 3.61Å; V303-R552 PolarHBondContact O-N 3.09Å; I304-R552 HydrophobicContact CG1-CB 4.42Å; I304-R552 HydrophobicContact CG2-CB 4.26Å; L305-R552 PolarHBondContact N-O 3.22Å; S542-R552 PolarHBondContact O-NH1 2.91Å; A543-R552 WeakPolarHBondContact O-CA 3.42Å; A543-R552 WeakPolarHBondContact O-CB 3.25Å; A543-R552 WeakPolarHBondContact O-CG 3.25Å; R544-R552 HydrophobicContact CG-CG 4.28Å; R552-V554 HydrophobicContact CB-CG2 4.39Å
553	V	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.9	164	-172.9	0	0	0	0	107.6	L305 L316 C527 V539 A543 V545 S557 I558	L305-V553 HydrophobicContact CB-CG1 4.4Å; L305-V553 HydrophobicContact CB-CG2 4.28Å; L305-V553 HydrophobicContact CD1-CG2 4.23Å; L305-V553 HydrophobicContact CG-CG2 4.49Å; L305-V553 CarbonylContact O-C 3.45Å; L305-V553 WeakPolarHBondContact O-CA 3.42Å; L316-V553 HydrophobicContact CD1-CG2 4.02Å; C527-V553 HydrophobicContact CB-CG1 4.3Å; V539-V553 HydrophobicContact CG1-CB 4.03Å; V539-V553 HydrophobicContact CG1-CG2 4.11Å; A543-V553 WeakPolarHBondContact CB-O 3.4Å; A543-V553 PolarHBondContact O-N 3.07Å; A543-V553 VanDerWaalsContact O-N 3.15Å; V545-V553 HydrophobicContact CG2-CG2 3.8Å; V553-S557 VanDerWaalsContact CG1-OG 3.23Å; V553-S557 WeakPolarHBondContact CG1-OG 3.41Å; V553-I558 HydrophobicContact CB-CG2 3.86Å; V553-I558 HydrophobicContact CG1-CG2 3.74Å; V553-I558 VanDerWaalsContact O-CG2 3.3Å; V553-I558 WeakPolarHBondContact O-CG2 3.36Å
554	V	98.9	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.			trans	-139.5	91.2	179.8	-176.7	0	0	0	0	107.9	A62 L66 I304 L305 S306 A543 R552 A575 A578	A62-V554 HydrophobicContact CB-CG1 4.43Å; A62-V554 WeakPolarHBondContact CB-O 3.18Å; L66-V554 HydrophobicContact CD1-CB 3.89Å; L66-V554 HydrophobicContact CD1-CG1 4Å; L66-V554 HydrophobicContact CD1-CG2 4.41Å; L66-V554 HydrophobicContact CD2-CG1 4.45Å; L66-V554 HydrophobicContact CG-CG1 4.49Å; I304-V554 HydrophobicContact CG2-CB 4.22Å; I304-V554 HydrophobicContact CG2-CG2 3.91Å; L305-V554 PolarHBondContact O-N 3.33Å; S306-V554 WeakPolarHBondContact CB-O 3.31Å; S306-V554 PolarHBondContact OG-O 3.14Å; A543-V554 HydrophobicContact CB-CG2 4.04Å; R552-V554 HydrophobicContact CB-CG2 4.39Å; V554-A575 HydrophobicContact CG1-CB 4.08Å; V554-A578 HydrophobicContact CG1-CB 3.72Å; V554-A578 HydrophobicContact CG2-CB 3.9Å
555	D	98.9	Very high	98.4	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.027	9%	0.092	C	C	.	.	S	Bend	trans	-170	-170.7	173	58.7	57.4	0	0	0	110.2	A62 S306 G307 G308 S312 S557 I558 M574	A62-D555 HydrophobicContact CB-CB 4.3Å; S306-D555 WeakPolarHBondContact CA-OD2 3.41Å; G307-D555 PolarHBondContact N-OD2 3.33Å; G308-D555 WeakPolarHBondContact CA-OD1 3.48Å; G308-D555 WeakPolarHBondContact CA-OD2 3.23Å; G308-D555 VanDerWaalsContact N-CG 3.26Å; G308-D555 PolarHBondContact N-OD2 3.34Å; S312-D555 WeakPolarHBondContact CB-OD2 3.44Å; S312-D555 PolarHBondContact OG-OD2 3.47Å; D555-S557 PolarHBondContact O-N 2.94Å; D555-S557 WeakPolarHBondContact OD1-CA 3.39Å; D555-S557 WeakPolarHBondContact OD1-CB 3.49Å; D555-S557 PolarHBondContact OD1-N 3.47Å; D555-S557 PolarHBondContact OD1-OG 2.86Å; D555-I558 WeakPolarHBondContact O-CG1 3.48Å; D555-I558 PolarHBondContact O-N 2.71Å; D555-M574 WeakPolarHBondContact O-CE 3.43Å
556	A	98.7	Very high	98.3	Very high	12 Å²	12	17.3 Å²	17.3	10%	0.099	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-59.7	-16.4	-178.9	0	0	0	0	0	115.2	S524 C525 I558 M559	S524-A556 WeakPolarHBondContact CA-O 3.23Å; S524-A556 WeakPolarHBondContact CB-O 3.23Å; C525-A556 PolarHBondContact N-O 3.27Å; A556-I558 PolarHBondContact O-N 2.88Å; A556-M559 HydrophobicContact CB-CE 4.26Å
557	S	98.9	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-64.1	-26.2	176.1	64.1	0	0	0	0	112.9	C525 T526 C527 K528 V553 D555 M559	C525-S557 CarbonylContact C-O 3.56Å; C525-S557 WeakPolarHBondContact CA-O 3.21Å; C525-S557 PolarHBondContact N-O 3.11Å; T526-S557 PolarHBondContact N-O 3.21Å; T526-S557 VanDerWaalsContact N-O 3.15Å; T526-S557 WeakPolarHBondContact OG1-CB 3.37Å; C527-S557 CarbonylContact C-O 3.58Å; C527-S557 WeakPolarHBondContact CA-O 3.28Å; C527-S557 WeakPolarHBondContact CB-OG 3.41Å; C527-S557 PolarHBondContact N-O 3.37Å; K528-S557 PolarHBondContact N-O 3.5Å; V553-S557 VanDerWaalsContact CG1-OG 3.23Å; V553-S557 WeakPolarHBondContact CG1-OG 3.41Å; D555-S557 PolarHBondContact O-N 2.94Å; D555-S557 WeakPolarHBondContact OD1-CA 3.39Å; D555-S557 WeakPolarHBondContact OD1-CB 3.49Å; D555-S557 PolarHBondContact OD1-N 3.47Å; D555-S557 PolarHBondContact OD1-OG 2.86Å; S557-M559 VanDerWaalsContact C-N 3.33Å; S557-M559 PolarHBondContact O-N 3.1Å
558	I	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-85	-7	-171.3	77.8	178.1	0	0	0	114.3	C527 M529 V539 A543 V553 D555 A556 P560 M574	C527-I558 WeakPolarHBondContact O-CA 2.99Å; M529-I558 VanDerWaalsContact CB-O 3.32Å; M529-I558 WeakPolarHBondContact CB-O 3.28Å; M529-I558 HydrophobicContact CE-CD1 4.28Å; M529-I558 HydrophobicContact CE-CG1 4.04Å; M529-I558 WeakPolarHBondContact CE-O 3.08Å; M529-I558 HydrophobicContact CG-CB 4.06Å; M529-I558 HydrophobicContact CG-CD1 4.45Å; M529-I558 HydrophobicContact CG-CG1 4.31Å; M529-I558 VanDerWaalsContact CG-O 3.32Å; M529-I558 WeakPolarHBondContact CG-O 3.42Å; M529-I558 PolarHBondContact N-O 3.5Å; M529-I558 HydrophobicContact SD-CD1 3.97Å; M529-I558 HydrophobicContact SD-CG1 4.2Å; V539-I558 HydrophobicContact CG2-CB 4Å; V539-I558 HydrophobicContact CG2-CG2 3.99Å; A543-I558 HydrophobicContact CB-CD1 4.2Å; V553-I558 HydrophobicContact CB-CG2 3.86Å; V553-I558 HydrophobicContact CG1-CG2 3.74Å; V553-I558 VanDerWaalsContact O-CG2 3.3Å; V553-I558 WeakPolarHBondContact O-CG2 3.36Å; D555-I558 WeakPolarHBondContact O-CG1 3.48Å; D555-I558 PolarHBondContact O-N 2.71Å; A556-I558 PolarHBondContact O-N 2.88Å; I558-P560 WeakPolarHBondContact O-CD 3.32Å; I558-M574 HydrophobicContact CD1-SD 4.09Å; I558-M574 HydrophobicContact CG1-CE 4.18Å; I558-M574 HydrophobicContact CG1-SD 3.72Å
559	M	98.8	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.			trans	-56.6	128.1	175.8	-61.9	-177.9	-179.6	0	0	109.5	W161 C525 A556 S557 S561 L567 P570 M574	W161-M559 HydrophobicContact CH2-CB 4.31Å; W161-M559 HydrophobicContact CH2-CG 3.76Å; W161-M559 HydrophobicContact CH2-SD 4.38Å; W161-M559 HydrophobicContact CZ2-CB 3.68Å; W161-M559 HydrophobicContact CZ2-CG 3.54Å; W161-M559 HydrophobicContact CZ2-SD 4.06Å; C525-M559 WeakPolarHBondContact CA-O 3.26Å; C525-M559 VanDerWaalsContact CB-O 3.28Å; C525-M559 WeakPolarHBondContact CB-O 3.41Å; C525-M559 VanDerWaalsContact SG-CB 3.59Å; C525-M559 PolarHBondContact SG-O 3.46Å; A556-M559 HydrophobicContact CB-CE 4.26Å; S557-M559 VanDerWaalsContact C-N 3.33Å; S557-M559 PolarHBondContact O-N 3.1Å; M559-S561 VanDerWaalsContact C-N 3.3Å; M559-L567 HydrophobicContact CE-CB 4.3Å; M559-L567 HydrophobicContact CE-CD2 4.26Å; M559-L567 HydrophobicContact SD-CD1 4.29Å; M559-L567 HydrophobicContact SD-CD2 4.19Å; M559-P570 HydrophobicContact CE-CB 3.76Å; M559-M574 HydrophobicContact CE-CE 3.48Å; M559-M574 VanDerWaalsContact CE-CE 3.48Å; M559-M574 HydrophobicContact CE-SD 4.49Å; M559-M574 HydrophobicContact CG-CE 3.76Å; M559-M574 HydrophobicContact CG-SD 3.98Å; M559-M574 HydrophobicContact SD-CE 4.49Å
560	P	98.5	Very high	98.4	Very high	6 Å²	6	9.5 Å²	9.5	4%	0.039	5%	0.047	C	C	.	.	S	Bend	trans	-59.6	-43.5	172.1	-27.8	36.1	0	0	0	112.6	W161 E164 A166 N344 M529 I558	W161-P560 HydrophobicContact CB-CG 4.08Å; W161-P560 HydrophobicContact CD2-CG 4.47Å; W161-P560 HydrophobicContact CG-CB 4.42Å; W161-P560 HydrophobicContact CG-CG 3.96Å; E164-P560 HydrophobicContact CB-CB 4.05Å; E164-P560 VanDerWaalsContact OE2-CB 3.29Å; E164-P560 WeakPolarHBondContact OE2-CB 3.36Å; A166-P560 HydrophobicContact CB-CG 3.73Å; N344-P560 PolarHBondContact ND2-O 2.92Å; M529-P560 HydrophobicContact CB-CG 3.93Å; M529-P560 HydrophobicContact CE-CG 4.42Å; I558-P560 WeakPolarHBondContact O-CD 3.32Å
561	S	98.3	Very high	98.4	Very high	15 Å²	15	6 Å²	6	11%	0.105	4%	0.035	C	C	.	.	S	Bend	trans	-143.8	152.1	177.4	-71.9	0	0	0	0	109.6	W161 E164 M559	W161-S561 PolarHBondContact NE1-O 3.44Å; E164-S561 VanDerWaalsContact CD-OG 3.29Å; E164-S561 WeakPolarHBondContact OE1-CB 3.28Å; E164-S561 PolarHBondContact OE1-OG 3.26Å; E164-S561 PolarHBondContact OE2-OG 3.19Å; M559-S561 VanDerWaalsContact C-N 3.3Å
562	I	98.4	Very high	98.4	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.034	C	C	.	.			trans	-65.6	141	-179.2	-161.4	167.4	0	0	0	111.2	R160 Q346 H348 H522 C525 L567	R160-I562 PolarHBondContact NH2-O 2.99Å; Q346-I562 HydrophobicContact CB-CB 4Å; Q346-I562 HydrophobicContact CB-CG2 4.27Å; H348-I562 VanDerWaalsContact CE1-CD1 3.46Å; H348-I562 WeakPolarHBondContact CE1-CD1 3.34Å; H348-I562 VanDerWaalsContact NE2-CD1 3.35Å; H348-I562 WeakPolarHBondContact NE2-CD1 3.49Å; H348-I562 WeakPolarHBondContact NE2-CG1 3.45Å; H522-I562 HydrophobicContact CB-CD1 4.29Å; H522-I562 WeakPolarHBondContact O-CD1 3.43Å; C525-I562 PolarHBondContact SG-N 3.12Å; C525-I562 VanDerWaalsContact SG-N 3.42Å; I562-L567 HydrophobicContact CD1-CD1 4.16Å; I562-L567 HydrophobicContact CD1-CD2 4.46Å; I562-L567 HydrophobicContact CG1-CD1 4.19Å; I562-L567 HydrophobicContact CG1-CD2 3.91Å
563	V	98.2	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.			trans	-90.5	159.4	178.4	-63.5	0	0	0	0	111.2	D157 Y158 W161 H348 G565 L567 P570	D157-V563 HydrophobicContact CB-CB 3.92Å; D157-V563 HydrophobicContact CB-CG1 3.74Å; Y158-V563 HydrophobicContact CE1-CG1 4Å; W161-V563 HydrophobicContact CH2-CG1 3.82Å; W161-V563 HydrophobicContact CZ2-CG1 3.22Å; H348-V563 PolarHBondContact CE1-O 3.21Å; H348-V563 PolarHBondContact NE2-O 3.19Å; V563-G565 PolarHBondContact O-N 3.09Å; V563-L567 HydrophobicContact CG2-CD2 3.56Å; V563-P570 HydrophobicContact CG2-CB 4.02Å; V563-P570 HydrophobicContact CG2-CG 3.61Å
564	S	96.8	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-75.5	90.8	-173.3	-55.9	0	0	0	0	113.3	G153 D157 R439	G153-S564 VanDerWaalsContact CA-O 3.26Å; G153-S564 WeakPolarHBondContact CA-O 3.36Å; D157-S564 VanDerWaalsContact CG-N 3.29Å; D157-S564 VanDerWaalsContact CG-OG 3.25Å; D157-S564 PolarHBondContact OD1-N 2.92Å; D157-S564 PolarHBondContact OD1-OG 3.49Å; D157-S564 WeakPolarHBondContact OD2-CA 3.39Å; D157-S564 WeakPolarHBondContact OD2-CB 3.47Å; D157-S564 PolarHBondContact OD2-N 3.04Å; D157-S564 PolarHBondContact OD2-OG 2.81Å; R439-S564 PolarHBondContact NH1-OG 2.88Å
565	G	95.6	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	125.6	-157.4	174.2	0	0	0	0	0	114.2	H348 V563	H348-G565 PolarHBondContact CE1-O 3.02Å; H348-G565 PolarHBondContact ND1-O 3.24Å; V563-G565 PolarHBondContact O-N 3.09Å
566	N	97.3	Very high	98.4	Very high	19 Å²	19	4.8 Å²	4.8	10%	0.102	3%	0.03	C	C	.	.			trans	-70.7	135.3	-172.3	-56.2	87.9	0	0	0	112.9	V149 I151 Q410 H412 H522 N568 P570	V149-N566 WeakPolarHBondContact CG1-OD1 3.29Å; I151-N566 HydrophobicContact CB-CB 4.38Å; Q410-N566 PolarHBondContact NE2-OD1 2.94Å; H412-N566 PolarHBondContact NE2-OD1 2.98Å; H522-N566 PolarHBondContact CE1-ND2 3.17Å; H522-N566 PolarHBondContact NE2-ND2 3.07Å; N566-N568 PolarHBondContact O-N 3.44Å; N566-P570 WeakPolarHBondContact O-CD 3.42Å
567	L	98.1	Very high	98.4	Very high	9 Å²	9	4.6 Å²	4.6	5%	0.047	3%	0.027	C	C	.	.	S	Bend	trans	-86	-3.8	-167.7	-57.5	-170.6	0	0	0	116.6	H522 M559 I562 V563 T571	H522-L567 HydrophobicContact CB-CD1 3.74Å; H522-L567 HydrophobicContact CB-CG 3.78Å; H522-L567 WeakPolarHBondContact O-CD1 3.13Å; M559-L567 HydrophobicContact CE-CB 4.3Å; M559-L567 HydrophobicContact CE-CD2 4.26Å; M559-L567 HydrophobicContact SD-CD1 4.29Å; M559-L567 HydrophobicContact SD-CD2 4.19Å; I562-L567 HydrophobicContact CD1-CD1 4.16Å; I562-L567 HydrophobicContact CD1-CD2 4.46Å; I562-L567 HydrophobicContact CG1-CD1 4.19Å; I562-L567 HydrophobicContact CG1-CD2 3.91Å; V563-L567 HydrophobicContact CG2-CD2 3.56Å; L567-T571 WeakPolarHBondContact O-CB 3.25Å; L567-T571 PolarHBondContact O-N 2.69Å; L567-T571 PolarHBondContact O-OG1 3.14Å
568	N	98.6	Very high	98.4	Very high	19 Å²	19	4.8 Å²	4.8	10%	0.102	3%	0.028	C	C	.	.	H	α-helix	trans	-68.3	-45.6	-174.7	-172.4	55.6	0	0	0	112.4	S61 S143 N566 T571 I572	S61-N568 WeakPolarHBondContact CB-OD1 3.28Å; S61-N568 PolarHBondContact OG-OD1 3.26Å; S143-N568 WeakPolarHBondContact CB-OD1 3.41Å; N566-N568 PolarHBondContact O-N 3.44Å; N568-T571 PolarHBondContact O-N 2.81Å; N568-I572 WeakPolarHBondContact O-CG1 3.17Å; N568-I572 PolarHBondContact O-N 3.25Å
569	A	98.7	Very high	98.4	Very high	4 Å²	4	4.8 Å²	4.8	3%	0.033	3%	0.028	C	C	.	.	H	α-helix	trans	-66.6	-45.8	178.2	0	0	0	0	0	112.1	Y150 I151 F178 T571 I572 M573	Y150-A569 HydrophobicContact CD2-CB 3.74Å; Y150-A569 HydrophobicContact CE2-CB 3.35Å; I151-A569 WeakPolarHBondContact O-CB 3.49Å; F178-A569 HydrophobicContact CE1-CB 4.09Å; F178-A569 WeakPolarHBondContact CE1-O 3.45Å; A569-T571 VanDerWaalsContact C-N 3.28Å; A569-T571 PolarHBondContact O-N 2.89Å; A569-I572 PolarHBondContact O-N 2.65Å; A569-I572 VanDerWaalsContact O-N 3.17Å; A569-M573 WeakPolarHBondContact O-CB 3.34Å; A569-M573 PolarHBondContact O-N 3.24Å
570	P	98.8	Very high	98.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-53.9	-42.5	171.9	-27.2	32.6	0	0	0	113	F178 M559 V563 N566 I572 M573 M574	F178-P570 HydrophobicContact CZ-CG 4.47Å; M559-P570 HydrophobicContact CE-CB 3.76Å; V563-P570 HydrophobicContact CG2-CB 4.02Å; V563-P570 HydrophobicContact CG2-CG 3.61Å; N566-P570 WeakPolarHBondContact O-CD 3.42Å; P570-I572 PolarHBondContact O-N 2.8Å; P570-M573 PolarHBondContact O-N 3.48Å; P570-M574 WeakPolarHBondContact O-CG 3.18Å; P570-M574 PolarHBondContact O-N 3.3Å
571	T	98.9	Very high	98.3	Very high	12 Å²	12	6.6 Å²	6.6	7%	0.074	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-41.2	177.9	-58.8	0	0	0	0	112.5	A62 L567 N568 A569 A575	A62-T571 HydrophobicContact CB-CG2 3.94Å; L567-T571 WeakPolarHBondContact O-CB 3.25Å; L567-T571 PolarHBondContact O-N 2.69Å; L567-T571 PolarHBondContact O-OG1 3.14Å; N568-T571 PolarHBondContact O-N 2.81Å; A569-T571 VanDerWaalsContact C-N 3.28Å; A569-T571 PolarHBondContact O-N 2.89Å; T571-A575 PolarHBondContact O-N 2.8Å; T571-A575 VanDerWaalsContact O-N 3.13Å
572	I	98.9	Very high	98.3	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-66.5	-41.8	176.2	-69.3	167.5	0	0	0	110.5	V65 A181 L198 S251 Y255 N568 A569 P570 A575 E576	V65-I572 HydrophobicContact CG2-CG1 4.45Å; V65-I572 HydrophobicContact CG2-CG2 3.99Å; A181-I572 HydrophobicContact CB-CG2 3.96Å; L198-I572 HydrophobicContact CD1-CD1 4.25Å; L198-I572 HydrophobicContact CD2-CD1 3.88Å; S251-I572 WeakPolarHBondContact OG-CD1 3.24Å; Y255-I572 HydrophobicContact CE2-CG2 4.03Å; N568-I572 WeakPolarHBondContact O-CG1 3.17Å; N568-I572 PolarHBondContact O-N 3.25Å; A569-I572 PolarHBondContact O-N 2.65Å; A569-I572 VanDerWaalsContact O-N 3.17Å; P570-I572 PolarHBondContact O-N 2.8Å; I572-A575 PolarHBondContact O-N 2.87Å; I572-E576 PolarHBondContact O-N 3.22Å
573	M	98.9	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.2	-47.6	176	178.1	-76.3	-67.4	0	0	111.5	Y158 W161 W169 C174 F178 A569 P570 A575 E576 K577	Y158-M573 HydrophobicContact CD1-CE 4.29Å; Y158-M573 HydrophobicContact CE1-CE 3.66Å; W161-M573 HydrophobicContact CZ3-CE 4.42Å; W169-M573 HydrophobicContact CZ3-CE 4.3Å; W169-M573 HydrophobicContact CZ3-SD 4.04Å; C174-M573 HydrophobicContact CB-CE 3.88Å; C174-M573 HydrophobicContact CB-SD 3.96Å; F178-M573 HydrophobicContact CD1-CB 3.72Å; F178-M573 HydrophobicContact CD1-CG 4Å; F178-M573 HydrophobicContact CD2-CB 4.38Å; F178-M573 HydrophobicContact CD2-CG 3.78Å; F178-M573 HydrophobicContact CE1-CB 3.5Å; F178-M573 HydrophobicContact CE1-CG 3.97Å; F178-M573 HydrophobicContact CE2-CB 4.19Å; F178-M573 HydrophobicContact CE2-CE 3.94Å; F178-M573 HydrophobicContact CE2-CG 3.74Å; F178-M573 HydrophobicContact CG-CB 4.15Å; F178-M573 HydrophobicContact CG-CG 3.9Å; F178-M573 HydrophobicContact CZ-CB 3.74Å; F178-M573 HydrophobicContact CZ-CE 3.96Å; F178-M573 HydrophobicContact CZ-CG 3.82Å; A569-M573 WeakPolarHBondContact O-CB 3.34Å; A569-M573 PolarHBondContact O-N 3.24Å; P570-M573 PolarHBondContact O-N 3.48Å; M573-A575 VanDerWaalsContact C-N 3.27Å; M573-A575 PolarHBondContact O-N 2.88Å; M573-E576 WeakPolarHBondContact O-CB 3.26Å; M573-E576 PolarHBondContact O-N 2.82Å; M573-K577 PolarHBondContact O-N 3.35Å
574	M	98.9	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-40.5	176.5	-70.1	-170	-61	0	0	111.7	W161 W169 M529 D555 I558 M559 P570 K577 A578	W161-M574 HydrophobicContact CH2-SD 3.88Å; W161-M574 HydrophobicContact CZ3-CG 4.39Å; W161-M574 HydrophobicContact CZ3-SD 4.09Å; W169-M574 HydrophobicContact CE3-CG 4.43Å; W169-M574 HydrophobicContact CH2-CB 4Å; W169-M574 HydrophobicContact CH2-CG 4Å; W169-M574 HydrophobicContact CZ3-CB 4.02Å; W169-M574 HydrophobicContact CZ3-CG 3.6Å; M529-M574 HydrophobicContact CE-SD 4.41Å; D555-M574 WeakPolarHBondContact O-CE 3.43Å; I558-M574 HydrophobicContact CD1-SD 4.09Å; I558-M574 HydrophobicContact CG1-CE 4.18Å; I558-M574 HydrophobicContact CG1-SD 3.72Å; M559-M574 HydrophobicContact CE-CE 3.48Å; M559-M574 VanDerWaalsContact CE-CE 3.48Å; M559-M574 HydrophobicContact CE-SD 4.49Å; M559-M574 HydrophobicContact CG-CE 3.76Å; M559-M574 HydrophobicContact CG-SD 3.98Å; M559-M574 HydrophobicContact SD-CE 4.49Å; P570-M574 WeakPolarHBondContact O-CG 3.18Å; P570-M574 PolarHBondContact O-N 3.3Å; M574-K577 PolarHBondContact O-N 2.83Å; M574-A578 VanDerWaalsContact O-CB 3.24Å; M574-A578 WeakPolarHBondContact O-CB 3.28Å; M574-A578 PolarHBondContact O-N 3.36Å
575	A	98.9	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.3	-37.5	178.3	0	0	0	0	0	113.4	A62 V65 V554 T571 I572 M573 K577 A579	A62-A575 HydrophobicContact CB-CB 3.74Å; V65-A575 HydrophobicContact CB-CB 3.76Å; V65-A575 HydrophobicContact CG1-CB 3.82Å; V65-A575 HydrophobicContact CG2-CB 4.25Å; V554-A575 HydrophobicContact CG1-CB 4.08Å; T571-A575 PolarHBondContact O-N 2.8Å; T571-A575 VanDerWaalsContact O-N 3.13Å; I572-A575 PolarHBondContact O-N 2.87Å; M573-A575 VanDerWaalsContact C-N 3.27Å; M573-A575 PolarHBondContact O-N 2.88Å; A575-K577 VanDerWaalsContact C-N 3.34Å; A575-A579 VanDerWaalsContact O-CB 3.3Å; A575-A579 WeakPolarHBondContact O-CB 3.26Å; A575-A579 PolarHBondContact O-N 2.9Å
576	E	98.9	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-43.2	174.1	-82.9	-76	-168.3	0	0	112	V65 R69 Y177 K180 A181 Y255 I572 M573 D580	V65-E576 HydrophobicContact CG1-CG 3.92Å; R69-E576 IonicContact CZ-OE1 3.93Å; R69-E576 VanDerWaalsContact CZ-OE1 3.28Å; R69-E576 IonicContact CZ-OE2 2.92Å; R69-E576 VanDerWaalsContact NE-CD 3.31Å; R69-E576 IonicContact NE-OE1 3.5Å; R69-E576 PolarHBondContact NE-OE1 2.96Å; R69-E576 IonicContact NE-OE2 3.28Å; R69-E576 PolarHBondContact NE-OE2 3.28Å; R69-E576 IonicContact NH2-OE1 3.94Å; R69-E576 PolarHBondContact NH2-OE1 2.85Å; R69-E576 IonicContact NH2-OE2 3.39Å; Y177-E576 HydrophobicContact CD1-CB 3.89Å; K180-E576 WeakPolarHBondContact CE-OE2 3.45Å; K180-E576 IonicContact NZ-OE2 3.5Å; K180-E576 PolarHBondContact NZ-OE2 3.13Å; A181-E576 HydrophobicContact CB-CG 4.18Å; Y255-E576 VanDerWaalsContact CE1-OE1 3.23Å; Y255-E576 WeakPolarHBondContact CE1-OE1 3.26Å; Y255-E576 PolarHBondContact OH-OE1 2.86Å; I572-E576 PolarHBondContact O-N 3.22Å; M573-E576 WeakPolarHBondContact O-CB 3.26Å; M573-E576 PolarHBondContact O-N 2.82Å; E576-D580 PolarHBondContact O-N 3.49Å
577	K	98.8	Very high	98.1	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-70.3	-47.4	177.3	-178	169.9	169.6	-164.1	0	112.4	G168 W169 Y177 M573 M574 A575 A579 D580 V581	G168-K577 PolarHBondContact O-NZ 3.31Å; W169-K577 HydrophobicContact CD2-CD 4.43Å; W169-K577 VanDerWaalsContact CD2-NZ 3.27Å; W169-K577 HydrophobicContact CE3-CD 4.06Å; W169-K577 HydrophobicContact CH2-CB 4.11Å; W169-K577 HydrophobicContact CH2-CD 3.78Å; W169-K577 HydrophobicContact CH2-CG 4.12Å; W169-K577 HydrophobicContact CZ2-CD 4.15Å; W169-K577 HydrophobicContact CZ2-CG 4.49Å; W169-K577 HydrophobicContact CZ3-CB 4.37Å; W169-K577 HydrophobicContact CZ3-CD 3.7Å; W169-K577 HydrophobicContact CZ3-CG 4.45Å; Y177-K577 HydrophobicContact CD1-CB 3.91Å; Y177-K577 HydrophobicContact CD2-CB 3.78Å; Y177-K577 HydrophobicContact CD2-CD 3.87Å; Y177-K577 HydrophobicContact CD2-CG 3.96Å; Y177-K577 VanDerWaalsContact CE1-CA 3.43Å; Y177-K577 HydrophobicContact CE1-CB 3.91Å; Y177-K577 HydrophobicContact CE1-CG 4.33Å; Y177-K577 HydrophobicContact CE2-CB 3.79Å; Y177-K577 HydrophobicContact CE2-CD 3.72Å; Y177-K577 HydrophobicContact CE2-CG 3.56Å; Y177-K577 HydrophobicContact CG-CB 3.83Å; Y177-K577 HydrophobicContact CG-CG 4.49Å; M573-K577 PolarHBondContact O-N 3.35Å; M574-K577 PolarHBondContact O-N 2.83Å; A575-K577 VanDerWaalsContact C-N 3.34Å; K577-A579 PolarHBondContact O-N 3.34Å; K577-D580 PolarHBondContact O-N 2.95Å; K577-D580 VanDerWaalsContact O-N 3.09Å; K577-V581 PolarHBondContact O-N 3.3Å; K577-V581 VanDerWaalsContact O-N 3.07Å
578	A	98.8	Very high	98.1	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-36.7	176.4	0	0	0	0	0	111.7	V554 M574 D580 V581 I582	V554-A578 HydrophobicContact CG1-CB 3.72Å; V554-A578 HydrophobicContact CG2-CB 3.9Å; M574-A578 VanDerWaalsContact O-CB 3.24Å; M574-A578 WeakPolarHBondContact O-CB 3.28Å; M574-A578 PolarHBondContact O-N 3.36Å; A578-D580 PolarHBondContact O-N 3.25Å; A578-V581 PolarHBondContact O-N 2.99Å; A578-I582 WeakPolarHBondContact O-CB 3.47Å; A578-I582 WeakPolarHBondContact O-CD1 3.22Å; A578-I582 WeakPolarHBondContact O-CG1 3.38Å; A578-I582 PolarHBondContact O-N 3.41Å
579	A	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-40.3	175.6	0	0	0	0	0	112.9	L66 R69 A575 K577 R583	L66-A579 HydrophobicContact CD2-CB 4.2Å; R69-A579 HydrophobicContact CB-CB 3.53Å; R69-A579 HydrophobicContact CG-CB 4.03Å; A575-A579 VanDerWaalsContact O-CB 3.3Å; A575-A579 WeakPolarHBondContact O-CB 3.26Å; A575-A579 PolarHBondContact O-N 2.9Å; K577-A579 PolarHBondContact O-N 3.34Å; A579-R583 WeakPolarHBondContact O-CB 3.38Å; A579-R583 WeakPolarHBondContact O-CD 3.41Å; A579-R583 WeakPolarHBondContact O-CG 3.33Å; A579-R583 PolarHBondContact O-N 3.48Å; A579-R583 VanDerWaalsContact O-N 3.15Å
580	D	98.6	Very high	98	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-42	175	-80.2	-12.8	0	0	0	110.9	Y177 K180 E576 K577 A578 I582 R583 G584 R585	Y177-D580 HydrophobicContact CE1-CB 4.4Å; Y177-D580 VanDerWaalsContact CE1-OD2 3.24Å; Y177-D580 WeakPolarHBondContact CE1-OD2 3.46Å; Y177-D580 PolarHBondContact OH-OD2 2.82Å; K180-D580 IonicContact NZ-OD1 3.83Å; K180-D580 PolarHBondContact NZ-OD1 3.06Å; K180-D580 IonicContact NZ-OD2 3.29Å; K180-D580 PolarHBondContact NZ-OD2 3.36Å; E576-D580 PolarHBondContact O-N 3.49Å; K577-D580 PolarHBondContact O-N 2.95Å; K577-D580 VanDerWaalsContact O-N 3.09Å; A578-D580 PolarHBondContact O-N 3.25Å; D580-I582 PolarHBondContact O-N 3.18Å; D580-R583 CarbonylContact O-C 3.17Å; D580-R583 PolarHBondContact O-N 2.69Å; D580-G584 PolarHBondContact O-N 3.43Å; D580-G584 VanDerWaalsContact O-N 3.16Å; D580-R585 HydrophobicContact CB-CB 3.9Å; D580-R585 WeakPolarHBondContact O-CB 3.33Å; D580-R585 PolarHBondContact O-N 3Å; D580-R585 WeakPolarHBondContact OD1-CD 3.36Å; D580-R585 IonicContact OD1-NH1 3.24Å; D580-R585 PolarHBondContact OD1-NH1 3.35Å
581	V	97.9	Very high	97.8	Very high	38 Å²	38	35.6 Å²	35.6	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.4	175	173.2	0	0	0	0	111.8	K577 A578 R583 G584	K577-V581 PolarHBondContact O-N 3.3Å; K577-V581 VanDerWaalsContact O-N 3.07Å; A578-V581 PolarHBondContact O-N 2.99Å; V581-R583 PolarHBondContact O-N 2.92Å; V581-G584 PolarHBondContact O-N 3.45Å
582	I	98.5	Very high	97.6	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.072	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-32.2	179.1	-68.6	159.9	0	0	0	111.4	Y54 L66 L70 I304 A578 D580 G584	Y54-I582 HydrophobicContact CD1-CG2 4.33Å; Y54-I582 HydrophobicContact CE1-CG2 3.51Å; L66-I582 HydrophobicContact CD2-CD1 3.96Å; L70-I582 HydrophobicContact CD2-CB 4.06Å; L70-I582 HydrophobicContact CD2-CG2 3.58Å; I304-I582 HydrophobicContact CD1-CD1 3.83Å; A578-I582 WeakPolarHBondContact O-CB 3.47Å; A578-I582 WeakPolarHBondContact O-CD1 3.22Å; A578-I582 WeakPolarHBondContact O-CG1 3.38Å; A578-I582 PolarHBondContact O-N 3.41Å; D580-I582 PolarHBondContact O-N 3.18Å; I582-G584 VanDerWaalsContact C-N 3.29Å
583	R	97.9	Very high	97.4	Very high	55 Å²	55	38.1 Å²	38.1	21%	0.208	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.9	178.4	-65.9	170.6	71.5	179.3	12.9	113.4	R69 L70 E72 A579 D580 V581 R585	R69-R583 VanDerWaalsContact O-CZ 3.31Å; R69-R583 PolarHBondContact O-NH1 3.02Å; L70-R583 HydrophobicContact CD2-CG 3.81Å; E72-R583 IonicContact OE2-CZ 3.59Å; E72-R583 IonicContact OE2-NH1 2.72Å; E72-R583 PolarHBondContact OE2-NH1 3.01Å; E72-R583 IonicContact OE2-NH2 3.78Å; A579-R583 WeakPolarHBondContact O-CB 3.38Å; A579-R583 WeakPolarHBondContact O-CD 3.41Å; A579-R583 WeakPolarHBondContact O-CG 3.33Å; A579-R583 PolarHBondContact O-N 3.48Å; A579-R583 VanDerWaalsContact O-N 3.15Å; D580-R583 CarbonylContact O-C 3.17Å; D580-R583 PolarHBondContact O-N 2.69Å; V581-R583 PolarHBondContact O-N 2.92Å; R583-R585 HydrophobicContact CB-CG 4.24Å; R583-R585 PolarHBondContact O-N 3.33Å
584	G	97.1	Very high	97.2	Very high	69 Å²	69	40.8 Å²	40.8	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	25	-177.6	0	0	0	0	0	113.8	D580 V581 I582	D580-G584 PolarHBondContact O-N 3.43Å; D580-G584 VanDerWaalsContact O-N 3.16Å; V581-G584 PolarHBondContact O-N 3.45Å; I582-G584 VanDerWaalsContact C-N 3.29Å
585	R	97.3	Very high	97.1	Very high	99 Å²	99	42.8 Å²	42.8	37%	0.374	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-84.7	143.5	175.7	-68.4	173.9	168.6	-169.7	-7.4	110.4	D580 R583	D580-R585 HydrophobicContact CB-CB 3.9Å; D580-R585 WeakPolarHBondContact O-CB 3.33Å; D580-R585 PolarHBondContact O-N 3Å; D580-R585 WeakPolarHBondContact OD1-CD 3.36Å; D580-R585 IonicContact OD1-NH1 3.24Å; D580-R585 PolarHBondContact OD1-NH1 3.35Å; R583-R585 HydrophobicContact CB-CG 4.24Å; R583-R585 PolarHBondContact O-N 3.33Å
586	P	95.3	Very high	97	Very high	109 Å²	109	45 Å²	45	71%	0.708	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-57.4	136.5	173	-24	33.9	0	0	0	111.5
587	P	94	Very high	96.7	Very high	75 Å²	75	55 Å²	55	49%	0.487	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-59.2	141.1	172.7	-24.2	34.2	0	0	0	112	Y177	Y177-P587 WeakPolarHBondContact OH-CA 3.46Å
588	L	97.9	Very high	96.5	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.356	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-75	145	170.7	-56.9	178.1	0	0	0	110.6	P176 Y177 K180	P176-L588 HydrophobicContact CB-CB 3.53Å; P176-L588 HydrophobicContact CB-CD1 4.01Å; P176-L588 HydrophobicContact CB-CG 4.42Å; P176-L588 HydrophobicContact CG-CB 4.18Å; Y177-L588 HydrophobicContact CD1-CD1 4.18Å; Y177-L588 HydrophobicContact CD2-CB 4.28Å; Y177-L588 HydrophobicContact CE1-CD1 3.91Å; Y177-L588 HydrophobicContact CE1-CG 4.12Å; Y177-L588 HydrophobicContact CE2-CB 3.69Å; Y177-L588 HydrophobicContact CE2-CD1 4.39Å; Y177-L588 HydrophobicContact CE2-CG 4.1Å; Y177-L588 PolarHBondContact OH-N 2.87Å; Y177-L588 VanDerWaalsContact OH-N 3.1Å; K180-L588 HydrophobicContact CD-CD1 4.19Å
589	V	97.6	Very high	96.2	Very high	77 Å²	77	61.2 Å²	61.2	47%	0.467	36%	0.356	S	S	.	.			trans	-144.8	140.1	175.9	64	0	0	0	0	110	E172	E172-V589 HydrophobicContact CB-CG2 4.21Å; E172-V589 WeakPolarHBondContact O-CA 3.34Å
590	D	96.5	Very high	96	Very high	27 Å²	27	63.5 Å²	63.5	14%	0.144	37%	0.37	C	S	.	.			trans	-126.8	95	171.6	-178.4	-7.2	0	0	0	107.6	E172 P176 R179 R190 V593	E172-D590 WeakPolarHBondContact CB-O 3.45Å; E172-D590 PolarHBondContact O-N 2.82Å; P176-D590 HydrophobicContact CG-CB 3.76Å; R179-D590 IonicContact NH1-OD2 3.08Å; R179-D590 PolarHBondContact NH1-OD2 3.37Å; R190-D590 IonicContact NE-OD1 3.92Å; R190-D590 IonicContact NH2-OD1 2.93Å; D590-V593 HydrophobicContact CB-CG2 4.22Å; D590-V593 WeakPolarHBondContact O-CG2 3.33Å
591	P	96	Very high	95.9	Very high	85 Å²	85	65.8 Å²	65.8	55%	0.552	38%	0.382	S	S	*	.			trans	-76.2	150.8	-174.4	29.2	-33.9	0	0	0	113	E172 R190	E172-P591 WeakPolarHBondContact OE2-CA 3.45Å; R190-P591 PolarHBondContact NH2-O 2.96Å
592	G	93.6	Very high	95.8	Very high	52 Å²	52	70.1 Å²	70.1	54%	0.536	40%	0.4	S	S	.	.	S	Bend	trans	67.1	36.9	174.8	0	0	0	0	0	113.3	E172 R190 P594	E172-G592 PolarHBondContact OE1-N 3.06Å; R190-G592 PolarHBondContact NH2-O 2.83Å; G592-P594 WeakPolarHBondContact O-CD 3.31Å
593	V	94.3	Very high	95.6	Very high	15 Å²	15	72.3 Å²	72.3	9%	0.091	41%	0.414	C	S	.	.			trans	-68.4	120.9	174.7	-171.3	0	0	0	0	109.1	Y171 L175 Y191 D590	Y171-V593 HydrophobicContact CD1-CB 4.28Å; Y171-V593 HydrophobicContact CD1-CG1 4.35Å; Y171-V593 HydrophobicContact CE1-CB 4.22Å; Y171-V593 HydrophobicContact CE1-CG1 3.79Å; L175-V593 HydrophobicContact CD2-CB 4.33Å; L175-V593 HydrophobicContact CD2-CG1 3.59Å; L175-V593 HydrophobicContact CD2-CG2 3.83Å; Y191-V593 HydrophobicContact CD1-CG1 4.29Å; Y191-V593 HydrophobicContact CE1-CG1 3.53Å; D590-V593 HydrophobicContact CB-CG2 4.22Å; D590-V593 WeakPolarHBondContact O-CG2 3.33Å
594	P	96.3	Very high	95.3	Very high	55 Å²	55	71.1 Å²	71.1	36%	0.357	41%	0.411	S	S	.	.			trans	-68.9	139.6	176.6	21	-22	0	0	0	109.7	Y191 Y231 G592	Y191-P594 WeakPolarHBondContact OH-CG 3.38Å; Y191-P594 PolarHBondContact OH-O 2.8Å; Y231-P594 HydrophobicContact CD2-CB 4.1Å; Y231-P594 HydrophobicContact CE2-CB 3.95Å; G592-P594 WeakPolarHBondContact O-CD 3.31Å
595	V	96	Very high	95	Very high	42 Å²	42	74 Å²	74	26%	0.255	40%	0.4	S	S	.	.			trans	-128.5	133	175	-178.6	0	0	0	0	106.4	A155 Y171 R597	A155-V595 HydrophobicContact CB-CB 4.34Å; A155-V595 HydrophobicContact CB-CG1 3.9Å; A155-V595 HydrophobicContact CB-CG2 3.49Å; A155-V595 VanDerWaalsContact CB-CG2 3.49Å; Y171-V595 HydrophobicContact CD1-CG2 4.16Å; Y171-V595 HydrophobicContact CE1-CG2 4.13Å; V595-R597 PolarHBondContact O-N 3.47Å
596	Y	96.4	Very high	94.8	Very high	46 Å²	46	72.8 Å²	72.8	18%	0.18	40%	0.402	C	S	.	.			trans	-54.8	139.6	177.7	174.6	-97.6	0	0	0	111.1	Y231 Q232 E234 P598	Y231-Y596 AromaticContact CE1-CD2 3.91Å; Y231-Y596 HydrophobicContact CE1-CD2 3.91Å; Y231-Y596 HydrophobicContact CE1-CG 4.42Å; Y231-Y596 WeakPolarHBondContact O-CB 3.35Å; Y231-Y596 PolarHBondContact O-N 2.76Å; Q232-Y596 HydrophobicContact CB-CD2 4.23Å; Q232-Y596 HydrophobicContact CB-CG 3.93Å; Q232-Y596 HydrophobicContact CG-CD1 3.82Å; Q232-Y596 HydrophobicContact CG-CD2 3.94Å; Q232-Y596 HydrophobicContact CG-CE1 4.26Å; Q232-Y596 HydrophobicContact CG-CE2 4.38Å; Q232-Y596 HydrophobicContact CG-CG 3.63Å; E234-Y596 HydrophobicContact CB-CD1 4.32Å; E234-Y596 HydrophobicContact CB-CE1 4.17Å; Y596-P598 HydrophobicContact CE1-CB 4.36Å
597	R	94.3	Very high	94.8	Very high	210 Å²	210	70.8 Å²	70.8	79%	0.792	39%	0.386	S	S	*	.			trans	-127.6	135.2	169.1	-65.3	-178.2	-179.4	172.1	-0.1	107.8	V595	V595-R597 PolarHBondContact O-N 3.47Å
598	P	93.3	Very high	94.9	Very high	18 Å²	18	70.6 Å²	70.6	12%	0.117	38%	0.38	C	S	.	.			trans	-62.4	153.7	174.5	28.7	-35.7	0	0	0	110.1	Y596 T600 L601	Y596-P598 HydrophobicContact CE1-CB 4.36Å; P598-T600 PolarHBondContact O-N 2.88Å; P598-T600 VanDerWaalsContact O-N 3.16Å; P598-L601 HydrophobicContact CG-CD2 3.53Å
599	P	92.3	Very high	94.7	Very high	125 Å²	125	70.8 Å²	70.8	81%	0.812	38%	0.381	S	S	*	.	S	Bend	trans	-57.9	-29	178.8	-24.9	34.2	0	0	0	113.8
600	T	94.7	Very high	94.5	Very high	48 Å²	48	70.4 Å²	70.4	29%	0.294	38%	0.376	S	S	.	.			trans	-149.8	146	-177.6	165.7	0	0	0	0	109.5	P598 E602	P598-T600 PolarHBondContact O-N 2.88Å; P598-T600 VanDerWaalsContact O-N 3.16Å; T600-E602 WeakPolarHBondContact CB-OE2 3.34Å; T600-E602 WeakPolarHBondContact OG1-CB 3.23Å; T600-E602 PolarHBondContact OG1-N 3.15Å; T600-E602 VanDerWaalsContact OG1-N 3.1Å; T600-E602 PolarHBondContact OG1-OE2 3.28Å
601	L	95.9	Very high	94.4	Very high	55 Å²	55	73.3 Å²	73.3	29%	0.288	39%	0.391	S	S	.	.	S	Bend	trans	-99.6	-10	170.5	-68.1	-178.6	0	0	0	111.9	P402 H403 V404 P598 T603	P402-L601 CarbonylContact C-O 3.59Å; P402-L601 WeakPolarHBondContact CA-O 3.35Å; H403-L601 PolarHBondContact N-O 3Å; V404-L601 WeakPolarHBondContact O-CD2 3.21Å; P598-L601 HydrophobicContact CG-CD2 3.53Å; L601-T603 PolarHBondContact O-N 3.19Å
602	E	96.8	Very high	94.2	Very high	128 Å²	128	72.4 Å²	72.4	60%	0.598	38%	0.38	S	S	*	.	S	Bend	trans	-68.1	-20.5	-179.9	-65.1	70.8	-163.4	0	0	112.6	P402 T600	P402-E602 WeakPolarHBondContact CB-O 3.37Å; T600-E602 WeakPolarHBondContact CB-OE2 3.34Å; T600-E602 WeakPolarHBondContact OG1-CB 3.23Å; T600-E602 PolarHBondContact OG1-N 3.15Å; T600-E602 VanDerWaalsContact OG1-N 3.1Å; T600-E602 PolarHBondContact OG1-OE2 3.28Å
603	T	93.6	Very high	94.3	Very high	60 Å²	60	74 Å²	74	37%	0.368	37%	0.368	S	S	.	.	S	Bend	trans	-117.1	160.6	169.9	68.2	0	0	0	0	111.5	R399 L601 R605	R399-T603 PolarHBondContact NH1-O 3.18Å; R399-T603 PolarHBondContact NH2-O 2.83Å; L601-T603 PolarHBondContact O-N 3.19Å; T603-R605 WeakPolarHBondContact CB-O 3.38Å; T603-R605 PolarHBondContact OG1-O 3.17Å
604	Q	92.6	Very high	94.3	Very high	30 Å²	30	78.9 Å²	78.9	14%	0.14	39%	0.391	C	S	.	.			trans	-71	-33	173.3	-173.7	-167.8	40.8	0	0	112.1	R399 S400	R399-Q604 HydrophobicContact CB-CG 4.41Å; R399-Q604 VanDerWaalsContact CZ-O 3.26Å; R399-Q604 PolarHBondContact NE-O 3.22Å; R399-Q604 VanDerWaalsContact NH2-C 3.3Å; R399-Q604 PolarHBondContact NH2-O 3.15Å; R399-Q604 WeakPolarHBondContact O-CG 3.4Å; R399-Q604 PolarHBondContact O-NE2 3.47Å; S400-Q604 PolarHBondContact O-NE2 2.98Å
605	R	89.5	Confident	94.1	Very high	130 Å²	130	81.1 Å²	81.1	49%	0.491	39%	0.394	S	S	.	.			trans	-148.9	0	-175.4	59.5	-162.8	-178.7	-148.1	11.1	110.2	A220 Y222 E482 T603	A220-R605 PolarHBondContact O-NE 3Å; A220-R605 PolarHBondContact O-NH2 3.15Å; Y222-R605 HydrophobicContact CD1-CB 4.38Å; Y222-R605 HydrophobicContact CE1-CB 4.5Å; Y222-R605 PolarHBondContact OH-NH1 3.38Å; E482-R605 IonicContact OE1-CZ 3.21Å; E482-R605 VanDerWaalsContact OE1-CZ 3.23Å; E482-R605 IonicContact OE1-NH1 3.99Å; E482-R605 PolarHBondContact OE1-NH1 3.49Å; E482-R605 IonicContact OE1-NH2 3.28Å; E482-R605 PolarHBondContact OE1-NH2 2.78Å; E482-R605 IonicContact OE2-CZ 2.73Å; E482-R605 IonicContact OE2-NH1 3.22Å; E482-R605 PolarHBondContact OE2-NH1 2.65Å; E482-R605 IonicContact OE2-NH2 3.69Å; T603-R605 WeakPolarHBondContact CB-O 3.38Å; T603-R605 PolarHBondContact OG1-O 3.17Å

Retrieved 605 of 605 residues in 263.6 ms (Link to these results)

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