A0A087YSF6_POEFO Loading...

Hexosyltransferase

Beta-1,3-galactosyltransferase that transfers galactose from UDP-galactose to substrates with a terminal beta-linked galactose residue. Has a preference for galactose-beta-1,4-xylose that is found in the linker region of glycosaminoglycans, such as heparan sulfate and chondroitin sulfate. Has no activity towards substrates with terminal glucosamine or galactosamine residues.

AlphaFold DB , UniProt , Accession A0A087YSF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	44.5	Very low	232 Å²	232	160.9 Å²	160.9	100%	1.143	76%	0.757	S	S	*	*				0	117.5	0	-77	157.6	55.8	0	0	108.7
2	N	40.2	Very low	44.8	Very low	124 Å²	124	155.1 Å²	155.1	66%	0.663	74%	0.74	S	S	*	*			cis	-154.9	102.2	-9.9	-103.6	-14.8	0	0	0	106.2	F4	N2-F4 PolarHBondContact O-N 3.09Å
3	L	43.5	Very low	45.3	Very low	153 Å²	153	147.9 Å²	147.9	80%	0.801	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	8.9	170.2	-157.9	73.4	0	0	0	112.3
4	F	45.4	Very low	45.6	Very low	166 Å²	166	146.9 Å²	146.9	73%	0.728	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-7.9	-174.9	-98.9	-86	0	0	0	114.6	N2	N2-F4 PolarHBondContact O-N 3.09Å
5	R	45.2	Very low	46.1	Very low	230 Å²	230	143.1 Å²	143.1	87%	0.868	71%	0.709	S	S	*	*	S	Bend	trans	-93.7	-9.7	177.9	-80.7	-172.9	178.3	-178.6	0.1	115.2
6	L	44.3	Very low	46.6	Very low	148 Å²	148	140.9 Å²	140.9	78%	0.775	70%	0.7	S	S	*	*	S	Bend	trans	-91.1	-17.5	175.7	-142.6	77	0	0	0	113.3
7	I	45.1	Very low	47	Very low	94 Å²	94	134.9 Å²	134.9	48%	0.482	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-15.8	-175.2	-62.7	174.2	0	0	0	112.8
8	C	47.9	Very low	47.5	Very low	101 Å²	101	131.8 Å²	131.8	68%	0.682	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-3.6	179.2	-90.3	0	0	0	0	115.7
9	R	46.2	Very low	47.9	Very low	223 Å²	223	129.9 Å²	129.9	84%	0.842	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-14	173.8	-95	-177.8	156.6	-175.5	-6.4	114.4
10	H	47.3	Very low	48.3	Very low	147 Å²	147	127.3 Å²	127.3	68%	0.681	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-14	178.9	-90.7	-63.7	0	0	0	115.2	L14	H10-L14 PolarHBondContact O-N 2.67Å
11	K	45.6	Very low	48.6	Very low	152 Å²	152	124.8 Å²	124.8	66%	0.661	65%	0.653	S	S	*	*	H	α-helix	trans	-78.4	-28.9	177.6	-73.3	-170.5	174.4	-173.9	0	113.7	V15	K11-V15 WeakPolarHBondContact O-CG2 2.96Å
12	T	48.8	Very low	49.6	Very low	91 Å²	91	121 Å²	121	56%	0.558	63%	0.63	S	S	*	*	H	α-helix	trans	-79.8	-31.8	178	-23.1	0	0	0	0	112.5	I16	T12-I16 HydrophobicContact CG2-CD1 4.47Å; T12-I16 WeakPolarHBondContact O-CG1 3.05Å; T12-I16 PolarHBondContact O-N 3.19Å
13	A	50.2	Low	50.5	Low	62 Å²	62	117.7 Å²	117.7	51%	0.512	62%	0.62	S	S	.	*	H	α-helix	trans	-72.4	-34	176.9	0	0	0	0	0	112.9	G17	A13-G17 PolarHBondContact O-N 3.46Å; A13-G17 VanDerWaalsContact O-N 3.15Å
14	L	49.5	Very low	51.5	Low	133 Å²	133	114.5 Å²	114.5	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-73.1	-31.8	179.2	-152.6	82.7	0	0	0	112.7	H10 T18	H10-L14 PolarHBondContact O-N 2.67Å; L14-T18 PolarHBondContact O-N 3.48Å; L14-T18 PolarHBondContact O-OG1 3.04Å
15	V	53.5	Low	52.4	Low	90 Å²	90	110.5 Å²	110.5	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-76	-37.2	177.9	175.4	0	0	0	0	111.6	K11 T18 V19	K11-V15 WeakPolarHBondContact O-CG2 2.96Å; V15-T18 PolarHBondContact O-OG1 3.15Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 2.71Å
16	I	53.9	Low	53.2	Low	109 Å²	109	105 Å²	105	56%	0.559	58%	0.583	S	S	*	*	H	α-helix	trans	-71.3	-36.5	176.4	-63.2	168.4	0	0	0	111	T12 C20	T12-I16 HydrophobicContact CG2-CD1 4.47Å; T12-I16 WeakPolarHBondContact O-CG1 3.05Å; T12-I16 PolarHBondContact O-N 3.19Å; I16-C20 PolarHBondContact O-N 2.78Å; I16-C20 PolarHBondContact O-SG 3.03Å
17	G	54.1	Low	54	Low	39 Å²	39	102.3 Å²	102.3	40%	0.402	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-41.8	175.4	0	0	0	0	0	113.3	A13 S21	A13-G17 PolarHBondContact O-N 3.46Å; A13-G17 VanDerWaalsContact O-N 3.15Å; G17-S21 PolarHBondContact O-N 2.81Å; G17-S21 PolarHBondContact O-OG 3.09Å
18	T	54.9	Low	54.5	Low	78 Å²	78	104.6 Å²	104.6	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-75.2	-32.9	-178.3	39	0	0	0	0	113.5	L14 V15 F22	L14-T18 PolarHBondContact O-N 3.48Å; L14-T18 PolarHBondContact O-OG1 3.04Å; V15-T18 PolarHBondContact O-OG1 3.15Å; T18-F22 PolarHBondContact O-N 3.34Å
19	V	56.3	Low	55	Low	96 Å²	96	104.9 Å²	104.9	58%	0.582	57%	0.574	S	S	*	*	H	α-helix	trans	-70.6	-36	175	174.6	0	0	0	0	111.8	V15 A23	V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 2.71Å; V19-A23 PolarHBondContact O-N 3.47Å
20	C	56	Low	55.4	Low	78 Å²	78	97.2 Å²	97.2	53%	0.527	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-33.9	176	-74.9	0	0	0	0	113.1	I16 V24	I16-C20 PolarHBondContact O-N 2.78Å; I16-C20 PolarHBondContact O-SG 3.03Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 2.95Å
21	S	54.8	Low	55.7	Low	75 Å²	75	97.1 Å²	97.1	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-69.6	-37.7	176.9	-48.9	0	0	0	0	112.9	G17 V25	G17-S21 PolarHBondContact O-N 2.81Å; G17-S21 PolarHBondContact O-OG 3.09Å; S21-V25 WeakPolarHBondContact O-CG2 3.14Å; S21-V25 PolarHBondContact O-N 2.72Å
22	F	58.1	Low	55.8	Low	151 Å²	151	93.8 Å²	93.8	66%	0.662	55%	0.55	S	S	*	*	H	α-helix	trans	-70.9	-35.8	177.9	-95.9	-88.4	0	0	0	112.9	T18 V25 L26	T18-F22 PolarHBondContact O-N 3.34Å; F22-V25 PolarHBondContact O-N 2.73Å; F22-L26 WeakPolarHBondContact O-CG 3.3Å; F22-L26 PolarHBondContact O-N 2.84Å; F22-L26 VanDerWaalsContact O-N 3.1Å
23	A	60.9	Low	56.1	Low	55 Å²	55	93.7 Å²	93.7	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-66.9	-37.8	176.9	0	0	0	0	0	112.7	V19 V27	V19-A23 PolarHBondContact O-N 3.47Å; A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.06Å; A23-V27 VanDerWaalsContact O-N 3.1Å
24	V	62.9	Low	55.7	Low	86 Å²	86	94.5 Å²	94.5	52%	0.521	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-39.8	176.8	173.9	0	0	0	0	111.6	C20 V27 F28	C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 2.95Å; V24-V27 PolarHBondContact O-N 2.76Å; V24-F28 HydrophobicContact CG1-CD2 4.07Å; V24-F28 HydrophobicContact CG1-CE2 4.37Å; V24-F28 PolarHBondContact O-N 2.71Å
25	V	64.1	Low	55.6	Low	83 Å²	83	96 Å²	96	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-66.4	-40	177.2	173.1	0	0	0	0	111.6	S21 F22 F28 L29	S21-V25 WeakPolarHBondContact O-CG2 3.14Å; S21-V25 PolarHBondContact O-N 2.72Å; F22-V25 PolarHBondContact O-N 2.73Å; V25-F28 PolarHBondContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 3.97Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.33Å; V25-L29 PolarHBondContact O-N 2.91Å
26	L	61.9	Low	55.1	Low	113 Å²	113	97.3 Å²	97.3	59%	0.592	56%	0.564	S	S	*	*	H	α-helix	trans	-67.4	-37	176.2	-75.2	168.4	0	0	0	112.8	F22 L29 A30	F22-L26 WeakPolarHBondContact O-CG 3.3Å; F22-L26 PolarHBondContact O-N 2.84Å; F22-L26 VanDerWaalsContact O-N 3.1Å; L26-L29 PolarHBondContact O-N 3.29Å; L26-A30 WeakPolarHBondContact O-CB 3.5Å; L26-A30 PolarHBondContact O-N 3.43Å
27	V	62.7	Low	54.5	Low	92 Å²	92	99.3 Å²	99.3	56%	0.558	58%	0.575	S	S	*	*	H	α-helix	trans	-68.3	-36.1	174.1	172	0	0	0	0	111.6	A23 V24 K31	A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.06Å; A23-V27 VanDerWaalsContact O-N 3.1Å; V24-V27 PolarHBondContact O-N 2.76Å; V27-K31 PolarHBondContact O-N 2.88Å
28	F	55.8	Low	53.8	Low	143 Å²	143	106 Å²	106	63%	0.627	59%	0.593	S	S	*	*	H	α-helix	trans	-66.8	-43.2	173.5	-102.6	-87.5	0	0	0	112.5	V24 V25 A30 K31 C32	V24-F28 HydrophobicContact CG1-CD2 4.07Å; V24-F28 HydrophobicContact CG1-CE2 4.37Å; V24-F28 PolarHBondContact O-N 2.71Å; V25-F28 PolarHBondContact O-N 3.11Å; F28-A30 PolarHBondContact O-N 3.23Å; F28-K31 PolarHBondContact O-N 2.88Å; F28-C32 PolarHBondContact O-N 3.31Å; F28-C32 PolarHBondContact O-SG 3.32Å
29	L	57.8	Low	53.1	Low	107 Å²	107	111.6 Å²	111.6	56%	0.56	61%	0.613	S	S	*	*	H	α-helix	trans	-67.8	-33.8	177.5	-69.1	171	0	0	0	112.6	V25 L26 T33	V25-L29 HydrophobicContact CG1-CD1 3.97Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.33Å; V25-L29 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.29Å; L29-T33 PolarHBondContact O-N 2.88Å; L29-T33 PolarHBondContact O-OG1 3.44Å
30	A	54.1	Low	51.9	Low	62 Å²	62	110.9 Å²	110.9	51%	0.512	63%	0.626	S	S	.	*	H	α-helix	trans	-72.2	-29.6	173.9	0	0	0	0	0	113.2	L26 F28 T33	L26-A30 WeakPolarHBondContact O-CB 3.5Å; L26-A30 PolarHBondContact O-N 3.43Å; F28-A30 PolarHBondContact O-N 3.23Å; A30-T33 PolarHBondContact O-OG1 3.42Å
31	K	53.9	Low	50.7	Low	144 Å²	144	116 Å²	116	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-75.1	-39.9	172.3	-90.8	-167.1	170.2	-171	0	112.8	V27 F28 T33 S34 E35	V27-K31 PolarHBondContact O-N 2.88Å; F28-K31 PolarHBondContact O-N 2.88Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 PolarHBondContact O-N 3.07Å; K31-S34 PolarHBondContact O-N 3.4Å; K31-E35 PolarHBondContact O-N 2.81Å
32	C	48.1	Very low	50.2	Low	82 Å²	82	119.3 Å²	119.3	55%	0.554	65%	0.652	S	S	*	*	H	α-helix	trans	-65.7	-26.8	178.9	-74.4	0	0	0	0	114	F28 T36	F28-C32 PolarHBondContact O-N 3.31Å; F28-C32 PolarHBondContact O-SG 3.32Å; C32-T36 PolarHBondContact O-OG1 2.96Å; C32-T36 VanDerWaalsContact O-OG1 3.08Å
33	T	54.2	Low	48.9	Very low	90 Å²	90	119.6 Å²	119.6	55%	0.552	66%	0.661	S	S	*	*	H	α-helix	trans	-83.4	-17.7	177.3	45.2	0	0	0	0	113.4	L29 A30 K31	L29-T33 PolarHBondContact O-N 2.88Å; L29-T33 PolarHBondContact O-OG1 3.44Å; A30-T33 PolarHBondContact O-OG1 3.42Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 PolarHBondContact O-N 3.07Å
34	S	43	Very low	47.9	Very low	78 Å²	78	122.4 Å²	122.4	55%	0.545	67%	0.674	S	S	.	*	H	α-helix	trans	-91.2	-31.8	-179.9	-165.7	0	0	0	0	113	K31	K31-S34 PolarHBondContact O-N 3.4Å
35	E	46.9	Very low	46.7	Very low	165 Å²	165	124.5 Å²	124.5	77%	0.771	69%	0.69	S	S	*	*	H	α-helix	trans	-76.8	-19.5	178.3	-71.2	-165.6	169.2	0	0	114	K31 L37	K31-E35 PolarHBondContact O-N 2.81Å; E35-L37 VanDerWaalsContact C-N 3.34Å
36	T	42.5	Very low	45.1	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.724	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-4.8	176.7	37.1	0	0	0	0	114.2	C32	C32-T36 PolarHBondContact O-OG1 2.96Å; C32-T36 VanDerWaalsContact O-OG1 3.08Å
37	L	42.4	Very low	44.3	Very low	151 Å²	151	128.8 Å²	128.8	79%	0.791	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	7	-178.3	-93	163.9	0	0	0	114.8	E35	E35-L37 VanDerWaalsContact C-N 3.34Å
38	K	39.5	Very low	42.8	Very low	179 Å²	179	128.9 Å²	128.9	78%	0.778	73%	0.729	S	S	*	*	S	Bend	trans	-119.4	8.4	-173.4	-88.7	-168.5	177.1	-175.7	0	118.3
39	Q	38.6	Very low	41.9	Very low	195 Å²	195	127.6 Å²	127.6	91%	0.911	74%	0.736	S	S	*	*			trans	-135.3	108.5	173.2	-131.6	103.4	4.9	0	0	112.6
40	G	31.4	Very low	40.9	Very low	82 Å²	82	131.8 Å²	131.8	85%	0.845	75%	0.752	S	S	*	*			trans	-174.7	59.5	172.3	0	0	0	0	0	110.8
41	H	32.1	Very low	40	Very low	185 Å²	185	135 Å²	135	86%	0.856	77%	0.765	S	S	*	*			trans	-82.7	142.7	170.6	-157.1	61.7	0	0	0	109.5
42	L	43.5	Very low	39.2	Very low	144 Å²	144	137.7 Å²	137.7	75%	0.754	78%	0.777	S	S	*	*			trans	-63.4	149.8	-177.1	-72.4	132.1	0	0	0	113.6
43	D	31.6	Very low	38.6	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	78%	0.778	S	S	*	*			trans	-179.9	162.4	147.1	-93.5	-14.8	0	0	0	111.2
44	P	38.7	Very low	38	Very low	114 Å²	114	142 Å²	142	74%	0.74	80%	0.796	S	S	*	*				-101.5	179	-107.4	11.9	13.4	0	0	0	115.1	G46	P44-G46 PolarHBondContact O-N 3.08Å
45	P	38.1	Very low	37.6	Very low	130 Å²	130	145.6 Å²	145.6	84%	0.844	81%	0.805	S	S	*	*			trans	-78.6	110.8	-168	31.1	-31.9	0	0	0	112.6
46	G	31.1	Very low	37.2	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	81%	0.81	S	S	*	*			trans	-94.4	121.4	168.2	0	0	0	0	0	111.5	P44	P44-G46 PolarHBondContact O-N 3.08Å
47	F	44.8	Very low	36.7	Very low	210 Å²	210	152 Å²	152	92%	0.921	81%	0.814	S	S	*	*			trans	-59	131.2	173.4	-91	-103	0	0	0	113.3
48	A	31.7	Very low	36.6	Very low	93 Å²	93	149.4 Å²	149.4	77%	0.769	81%	0.807	S	S	*	*			trans	-175	160.8	147.1	0	0	0	0	0	110.6
49	P	36.4	Very low	36.7	Very low	117 Å²	117	146.8 Å²	146.8	76%	0.76	80%	0.801	S	S	*	*			cis	-116.7	157.1	-47.8	27.1	-10.1	0	0	0	111.1	T51	P49-T51 PolarHBondContact O-N 3.23Å
50	H	36.1	Very low	37.1	Very low	195 Å²	195	146 Å²	146	90%	0.903	80%	0.797	S	S	*	*			trans	-44.8	102.6	178.9	-85.5	-75.2	0	0	0	114	K52	H50-K52 PolarHBondContact O-N 2.9Å
51	T	35.5	Very low	37.6	Very low	129 Å²	129	148.9 Å²	148.9	79%	0.791	79%	0.788	S	S	*	*			trans	-67.5	120.8	152.5	-20.2	0	0	0	0	105.9	P49 S53	P49-T51 PolarHBondContact O-N 3.23Å; T51-S53 PolarHBondContact O-N 3.07Å
52	K	37.2	Very low	37.8	Very low	201 Å²	201	147 Å²	147	87%	0.874	79%	0.785	S	S	*	*			trans	-63.4	91.6	170.4	-81.5	-178.4	177.2	177.9	0	107.5	H50 L54	H50-K52 PolarHBondContact O-N 2.9Å; K52-L54 PolarHBondContact O-N 2.9Å; K52-L54 VanDerWaalsContact O-N 3.15Å
53	S	34.7	Very low	37.9	Very low	82 Å²	82	146.1 Å²	146.1	57%	0.573	79%	0.788	S	S	*	*			trans	-53.1	117.4	157.7	55.3	0	0	0	0	106.3	T51 Q55	T51-S53 PolarHBondContact O-N 3.07Å; S53-Q55 PolarHBondContact O-N 2.71Å
54	L	42.6	Very low	38.6	Very low	179 Å²	179	144.7 Å²	144.7	94%	0.937	78%	0.784	S	S	*	*			trans	-61	89.2	157.3	-87.1	150.8	0	0	0	105.7	K52 F56	K52-L54 PolarHBondContact O-N 2.9Å; K52-L54 VanDerWaalsContact O-N 3.15Å; L54-F56 VanDerWaalsContact C-N 3.32Å; L54-F56 PolarHBondContact O-N 2.73Å
55	Q	33.8	Very low	39.2	Very low	155 Å²	155	144.6 Å²	144.6	72%	0.724	79%	0.786	S	S	*	*			trans	-66.3	99	170.5	-78.2	-178.3	-16.5	0	0	106.2	S53 R57	S53-Q55 PolarHBondContact O-N 2.71Å; Q55-R57 VanDerWaalsContact C-N 3.31Å; Q55-R57 PolarHBondContact O-N 3.01Å
56	F	39.1	Very low	40.3	Very low	202 Å²	202	142.7 Å²	142.7	89%	0.886	78%	0.776	S	S	*	*			trans	-62	101.8	157.7	-143.2	-94.2	0	0	0	105.6	L54 P58	L54-F56 VanDerWaalsContact C-N 3.32Å; L54-F56 PolarHBondContact O-N 2.73Å; F56-P58 VanDerWaalsContact O-CD 3.29Å; F56-P58 WeakPolarHBondContact O-CD 3.47Å
57	R	32.1	Very low	42.5	Very low	215 Å²	215	143.7 Å²	143.7	81%	0.811	77%	0.771	S	S	*	*			trans	-69.8	116.3	167.9	-88.7	-176.4	174.7	178.2	-2.3	106.1	Q55 D59	Q55-R57 VanDerWaalsContact C-N 3.31Å; Q55-R57 PolarHBondContact O-N 3.01Å; R57-D59 PolarHBondContact O-N 3.06Å; R57-D59 VanDerWaalsContact O-N 3.07Å
58	P	39.7	Very low	44.6	Very low	97 Å²	97	137.1 Å²	137.1	63%	0.63	74%	0.742	S	S	*	*			trans	-70.3	107.3	163.4	22.2	-12.1	0	0	0	105.1	F56 H60	F56-P58 VanDerWaalsContact O-CD 3.29Å; F56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-H60 VanDerWaalsContact C-N 3.32Å; P58-H60 PolarHBondContact O-N 3.26Å
59	D	42.6	Very low	47.2	Very low	123 Å²	123	139.4 Å²	139.4	66%	0.658	74%	0.742	S	S	*	*			trans	-65.4	102.6	167.2	-155.4	6.8	0	0	0	105.9	R57 Q61	R57-D59 PolarHBondContact O-N 3.06Å; R57-D59 VanDerWaalsContact O-N 3.07Å; D59-Q61 PolarHBondContact O-N 3.22Å; D59-Q61 PolarHBondContact OD2-NE2 3.21Å
60	H	47.1	Very low	50	Low	178 Å²	178	137.4 Å²	137.4	82%	0.824	72%	0.724	S	S	*	*			trans	-71.1	68.9	170.7	-88	-69.3	0	0	0	108.2	P58	P58-H60 VanDerWaalsContact C-N 3.32Å; P58-H60 PolarHBondContact O-N 3.26Å
61	Q	41.1	Very low	52.9	Low	143 Å²	143	132.4 Å²	132.4	67%	0.668	71%	0.711	S	S	*	*			trans	-87.5	119.9	159.5	-64.3	-172.6	11.1	0	0	106.3	D59	D59-Q61 PolarHBondContact O-N 3.22Å; D59-Q61 PolarHBondContact OD2-NE2 3.21Å
62	N	37.1	Very low	55.8	Low	145 Å²	145	126.6 Å²	126.6	78%	0.775	68%	0.676	S	S	*	*			trans	-42.8	132.9	164.4	-69.3	-47.4	0	0	0	108.4	V64	N62-V64 PolarHBondContact O-N 3.28Å
63	P	45.6	Very low	58.8	Low	127 Å²	127	119.3 Å²	119.3	83%	0.825	64%	0.644	S	S	*	*			trans	-70	90.8	177.9	28.3	-30.2	0	0	0	107.2	S65	P63-S65 PolarHBondContact O-N 3.43Å
64	V	44.8	Very low	61.8	Low	126 Å²	126	115.4 Å²	115.4	76%	0.764	62%	0.617	S	S	*	*			trans	-51.7	113.8	150.3	178.9	0	0	0	0	103.4	N62 S66	N62-V64 PolarHBondContact O-N 3.28Å; V64-S66 PolarHBondContact O-N 3.04Å
65	S	51.2	Low	64.5	Low	112 Å²	112	106.9 Å²	106.9	78%	0.783	57%	0.572	S	S	*	*			trans	-59.5	81.2	172.8	163.1	0	0	0	0	107.8	P63 S67	P63-S65 PolarHBondContact O-N 3.43Å; S65-S67 PolarHBondContact O-N 3.11Å; S65-S67 VanDerWaalsContact O-N 3.09Å
66	S	62.2	Low	67.6	Low	90 Å²	90	99.5 Å²	99.5	63%	0.629	54%	0.538	S	S	*	.			trans	-61.4	111.2	165.2	54.9	0	0	0	0	105.4	V64 K68	V64-S66 PolarHBondContact O-N 3.04Å; S66-K68 PolarHBondContact O-N 3.35Å; S66-K68 VanDerWaalsContact O-N 3.15Å
67	S	77.6	Confident	70.4	Confident	98 Å²	98	89.9 Å²	89.9	69%	0.685	50%	0.496	S	S	*	.			trans	-51.3	123.9	169.7	51.2	0	0	0	0	107.6	S65 D69	S65-S67 PolarHBondContact O-N 3.11Å; S65-S67 VanDerWaalsContact O-N 3.09Å; S67-D69 PolarHBondContact O-N 3.5Å
68	K	88.2	Confident	73.6	Confident	73 Å²	73	79.6 Å²	79.6	32%	0.317	46%	0.457	S	S	.	.			trans	-64.8	134.6	177.5	-59.3	-171.2	-177.7	-175.1	0	108.9	S66 L70 D157 V160 D161	S66-K68 PolarHBondContact O-N 3.35Å; S66-K68 VanDerWaalsContact O-N 3.15Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.38Å; K68-D157 WeakPolarHBondContact CE-O 3.3Å; K68-D157 PolarHBondContact NZ-O 3.3Å; K68-D157 IonicContact NZ-OD1 3.9Å; K68-V160 WeakPolarHBondContact CD-O 3.49Å; K68-V160 PolarHBondContact NZ-O 3.14Å; K68-D161 HydrophobicContact CD-CB 4.28Å
69	D	85.8	Confident	76.4	Confident	141 Å²	141	75.6 Å²	75.6	75%	0.754	43%	0.431	S	S	*	.	S	Bend	trans	-76.5	-20.4	-171.7	-66.7	-33.1	0	0	0	113.4	S67	S67-D69 PolarHBondContact O-N 3.5Å
70	L	95.1	Very high	79.1	Confident	74 Å²	74	69.9 Å²	69.9	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	-177.7	-60.9	174.4	0	0	0	110.8	K68 L104 W155 N159 V160 D161	K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.38Å; L70-L104 HydrophobicContact CD1-CD2 4.13Å; L70-W155 HydrophobicContact CD1-CH2 3.95Å; L70-W155 HydrophobicContact CD1-CZ2 4.4Å; L70-N159 PolarHBondContact N-O 2.98Å; L70-V160 HydrophobicContact CB-CB 4.33Å; L70-V160 HydrophobicContact CB-CG1 4.04Å; L70-V160 HydrophobicContact CB-CG2 4.03Å; L70-V160 HydrophobicContact CD1-CG2 4.14Å; L70-V160 CarbonylContact O-C 3.19Å; L70-V160 WeakPolarHBondContact O-CA 3.28Å; L70-D161 PolarHBondContact O-N 3.49Å
71	S	96.9	Very high	81.5	Confident	90 Å²	90	61.7 Å²	61.7	63%	0.629	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.5	171.5	-174.1	0	0	0	0	111	D161	S71-D161 VanDerWaalsContact CA-O 3.23Å; S71-D161 WeakPolarHBondContact CA-O 3.5Å; S71-D161 PolarHBondContact OG-O 2.92Å
72	A	98.1	Very high	84.2	Confident	7 Å²	7	55.9 Å²	55.9	6%	0.058	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.6	176.4	0	0	0	0	0	110.8	V75 L104 D161 F162	A72-V75 HydrophobicContact CB-CG2 3.97Å; A72-L104 HydrophobicContact CB-CB 3.73Å; A72-D161 PolarHBondContact N-O 3.03Å; A72-F162 WeakPolarHBondContact O-CA 3.39Å; A72-F162 WeakPolarHBondContact O-CB 3.26Å
73	F	98.6	Very high	87	Confident	48 Å²	48	56.2 Å²	56.2	21%	0.211	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-48.5	168.7	174.9	-100.7	0	0	0	110.7	D102 K163 F164 K180 L183 K184	F73-D102 HydrophobicContact CB-CB 3.71Å; F73-D102 WeakPolarHBondContact CB-O 3.18Å; F73-D102 PolarHBondContact N-O 2.82Å; F73-K163 HydrophobicContact CD2-CB 4.31Å; F73-K163 HydrophobicContact CD2-CG 4.13Å; F73-K163 HydrophobicContact CE2-CB 4.49Å; F73-K163 WeakPolarHBondContact O-CB 3.32Å; F73-K163 PolarHBondContact O-N 3.35Å; F73-F164 HydrophobicContact CE1-CD2 4.22Å; F73-F164 HydrophobicContact CE2-CD2 4.2Å; F73-F164 AromaticContact CE2-CE2 3.98Å; F73-F164 HydrophobicContact CE2-CE2 3.98Å; F73-F164 AromaticContact CZ-CD2 3.89Å; F73-F164 HydrophobicContact CZ-CD2 3.89Å; F73-F164 AromaticContact CZ-CE2 3.76Å; F73-F164 HydrophobicContact CZ-CE2 3.76Å; F73-F164 PolarHBondContact O-N 3.33Å; F73-F164 VanDerWaalsContact O-N 3.11Å; F73-K180 HydrophobicContact CD1-CG 3.87Å; F73-K180 HydrophobicContact CE1-CG 3.87Å; F73-L183 HydrophobicContact CE1-CB 3.75Å; F73-L183 HydrophobicContact CZ-CB 3.78Å; F73-K184 HydrophobicContact CZ-CG 4.14Å
74	L	98.8	Very high	89.5	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.8	179	174	63.1	0	0	0	109.8	V76 D102 V103 L104 F164 F166 L176 L183	L74-V76 HydrophobicContact CD2-CG2 4.33Å; L74-V76 HydrophobicContact CG-CG2 4.25Å; L74-D102 PolarHBondContact N-O 2.66Å; L74-V103 HydrophobicContact CB-CG2 4.37Å; L74-V103 VanDerWaalsContact O-CA 3.25Å; L74-V103 WeakPolarHBondContact O-CA 3.5Å; L74-L104 PolarHBondContact O-N 2.93Å; L74-F164 CarbonylContact C-O 3.56Å; L74-F164 WeakPolarHBondContact CA-O 3.41Å; L74-F164 HydrophobicContact CD1-CB 3.97Å; L74-F166 HydrophobicContact CD1-CB 3.99Å; L74-L176 HydrophobicContact CD2-CD2 4.47Å; L74-L183 HydrophobicContact CD1-CD1 3.93Å; L74-L183 HydrophobicContact CD2-CD1 4.26Å
75	V	98.9	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.8	168	-179.3	0	0	0	0	108.4	A72 L77 L104 L156 V160 F162 F164 V165 F166	A72-V75 HydrophobicContact CB-CG2 3.97Å; V75-L77 HydrophobicContact CG1-CD2 3.86Å; V75-L77 HydrophobicContact CG1-CG 4.06Å; V75-L104 CarbonylContact C-O 3.56Å; V75-L104 VanDerWaalsContact CA-O 3.26Å; V75-L104 WeakPolarHBondContact CA-O 3.06Å; V75-L104 HydrophobicContact CG2-CB 4.31Å; V75-L104 HydrophobicContact CG2-CD2 4.47Å; V75-L156 HydrophobicContact CB-CD1 4.21Å; V75-L156 HydrophobicContact CG1-CD1 3.78Å; V75-L156 HydrophobicContact CG1-CD2 4.36Å; V75-L156 HydrophobicContact CG2-CD1 3.99Å; V75-V160 HydrophobicContact CG2-CG1 4.07Å; V75-F162 HydrophobicContact CG2-CB 3.6Å; V75-F162 HydrophobicContact CG2-CD2 4.28Å; V75-F162 HydrophobicContact CG2-CG 3.89Å; V75-F164 PolarHBondContact N-O 3.04Å; V75-V165 HydrophobicContact CB-CB 4.48Å; V75-V165 HydrophobicContact CB-CG2 4.3Å; V75-V165 HydrophobicContact CG1-CG2 4.4Å; V75-V165 CarbonylContact O-C 3.52Å; V75-V165 VanDerWaalsContact O-CA 3.24Å; V75-V165 WeakPolarHBondContact O-CA 3.48Å; V75-F166 PolarHBondContact O-N 3.02Å
76	V	98.9	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.6	173.4	-176.2	0	0	0	0	108	L74 I78 W95 V103 L104 A105 M106 F166 L176	L74-V76 HydrophobicContact CD2-CG2 4.33Å; L74-V76 HydrophobicContact CG-CG2 4.25Å; V76-I78 HydrophobicContact CB-CD1 4.41Å; V76-I78 HydrophobicContact CG1-CD1 3.62Å; V76-I78 HydrophobicContact CG1-CG1 4.09Å; V76-W95 HydrophobicContact CG1-CH2 3.99Å; V76-W95 HydrophobicContact CG1-CZ3 3.95Å; V76-V103 HydrophobicContact CG2-CG1 3.89Å; V76-L104 PolarHBondContact N-O 2.82Å; V76-A105 HydrophobicContact CB-CB 4.06Å; V76-A105 CarbonylContact O-C 3.59Å; V76-A105 WeakPolarHBondContact O-CA 3.21Å; V76-M106 PolarHBondContact O-N 2.95Å; V76-F166 WeakPolarHBondContact CA-O 3.34Å; V76-F166 HydrophobicContact CG1-CD1 3.93Å; V76-F166 HydrophobicContact CG2-CB 4.5Å; V76-F166 HydrophobicContact CG2-CD1 4.41Å; V76-L176 HydrophobicContact CG2-CD1 4.21Å; V76-L176 HydrophobicContact CG2-CD2 3.98Å
77	L	98.9	Very high	96	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.8	175.3	-62.9	-175.2	0	0	0	109.1	V75 M106 V108 M152 Y153 L156 V165 F166 K167 A168	V75-L77 HydrophobicContact CG1-CD2 3.86Å; V75-L77 HydrophobicContact CG1-CG 4.06Å; L77-M106 HydrophobicContact CD2-CB 4.27Å; L77-M106 HydrophobicContact CD2-CE 3.67Å; L77-V108 HydrophobicContact CB-CG2 4.17Å; L77-V108 HydrophobicContact CD2-CG2 4.19Å; L77-M152 HydrophobicContact CB-SD 4.04Å; L77-M152 HydrophobicContact CD1-CB 4.07Å; L77-M152 HydrophobicContact CD1-CE 4.37Å; L77-M152 HydrophobicContact CD1-CG 3.83Å; L77-M152 HydrophobicContact CD1-SD 3.79Å; L77-Y153 HydrophobicContact CD1-CD1 4.37Å; L77-Y153 HydrophobicContact CD1-CE1 4.39Å; L77-L156 HydrophobicContact CD1-CD2 4.03Å; L77-V165 HydrophobicContact CB-CG2 4.42Å; L77-V165 HydrophobicContact CD1-CG2 3.93Å; L77-V165 HydrophobicContact CG-CG2 3.85Å; L77-F166 PolarHBondContact N-O 2.98Å; L77-K167 WeakPolarHBondContact O-CA 3.46Å; L77-A168 PolarHBondContact O-N 2.77Å
78	I	98.9	Very high	97	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112	177.3	-55.8	92.8	0	0	0	108.5	V76 T80 I91 W95 L96 M106 F107 V108 A168 D170	V76-I78 HydrophobicContact CB-CD1 4.41Å; V76-I78 HydrophobicContact CG1-CD1 3.62Å; V76-I78 HydrophobicContact CG1-CG1 4.09Å; I78-T80 PolarHBondContact O-N 2.78Å; I78-I91 HydrophobicContact CG2-CD1 3.95Å; I78-W95 HydrophobicContact CD1-CH2 4.31Å; I78-W95 HydrophobicContact CG1-CH2 3.85Å; I78-W95 HydrophobicContact CG1-CZ2 4.24Å; I78-L96 HydrophobicContact CD1-CD1 4.13Å; I78-M106 WeakPolarHBondContact CD1-O 3.43Å; I78-M106 PolarHBondContact N-O 2.86Å; I78-F107 HydrophobicContact CB-CD1 3.73Å; I78-F107 HydrophobicContact CB-CE1 4.04Å; I78-F107 HydrophobicContact CD1-CD1 4.28Å; I78-F107 HydrophobicContact CD1-CE1 4.15Å; I78-F107 HydrophobicContact CG1-CD1 4.31Å; I78-F107 HydrophobicContact CG1-CE1 4.19Å; I78-F107 HydrophobicContact CG2-CD1 3.89Å; I78-F107 HydrophobicContact CG2-CE1 4.05Å; I78-F107 WeakPolarHBondContact O-CA 3.24Å; I78-V108 PolarHBondContact O-N 3.4Å; I78-A168 CarbonylContact C-O 3.56Å; I78-A168 WeakPolarHBondContact CA-O 3.5Å; I78-D170 HydrophobicContact CG2-CB 4.04Å
79	T	98.6	Very high	97.5	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	115.8	174.6	53.1	0	0	0	0	109.8	K148 M152 A168 D169 D170	T79-K148 HydrophobicContact CG2-CD 4.11Å; T79-M152 HydrophobicContact CG2-CE 4.1Å; T79-M152 HydrophobicContact CG2-SD 3.95Å; T79-A168 PolarHBondContact N-O 2.87Å; T79-A168 PolarHBondContact OG1-O 2.94Å; T79-D169 PolarHBondContact OG1-OD1 3.48Å; T79-D170 PolarHBondContact O-N 3.42Å
80	T	98.6	Very high	98.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	22%	0.22	C	C	.	.			trans	-136.8	160.1	-178.6	175.3	0	0	0	0	109.3	I78 R88 F107 V108 V109 K148 D170	I78-T80 PolarHBondContact O-N 2.78Å; T80-R88 HydrophobicContact CG2-CG 3.96Å; T80-R88 PolarHBondContact OG1-NH1 3.36Å; T80-F107 HydrophobicContact CG2-CB 3.8Å; T80-F107 HydrophobicContact CG2-CD1 4.14Å; T80-F107 HydrophobicContact CG2-CG 4.42Å; T80-V108 PolarHBondContact N-O 2.52Å; T80-V109 HydrophobicContact CG2-CG2 3.68Å; T80-K148 PolarHBondContact O-NZ 3.4Å; T80-D170 PolarHBondContact OG1-OD2 3.06Å
81	G	98	Very high	98.3	Very high	5 Å²	5	39.3 Å²	39.3	5%	0.052	20%	0.201	C	C	.	.			trans	-95.8	166.8	170.5	0	0	0	0	0	113.2	K83 Y84 R88	G81-K83 VanDerWaalsContact C-N 3.33Å; G81-K83 PolarHBondContact O-N 3.26Å; G81-Y84 PolarHBondContact O-N 2.85Å; G81-R88 PolarHBondContact O-NH1 3.19Å
82	P	97.6	Very high	98.4	Very high	22 Å²	22	36.8 Å²	36.8	14%	0.143	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-39.9	-173.4	24.1	-36.6	0	0	0	113.3	Y84 R88 V109 L114 L122	P82-Y84 PolarHBondContact O-N 2.84Å; P82-R88 PolarHBondContact O-NH2 2.73Å; P82-V109 HydrophobicContact CB-CG1 3.96Å; P82-L114 HydrophobicContact CB-CD1 3.78Å; P82-L114 HydrophobicContact CB-CD2 4.09Å; P82-L114 HydrophobicContact CG-CD1 4.34Å; P82-L114 HydrophobicContact CG-CD2 3.78Å; P82-L122 HydrophobicContact CB-CD1 4.06Å
83	K	96.7	Very high	98.4	Very high	152 Å²	152	39.4 Å²	39.4	66%	0.661	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.6	-175.5	-62.1	-173.8	177.2	-174.6	0	114.8	G81 T85 D118	G81-K83 VanDerWaalsContact C-N 3.33Å; G81-K83 PolarHBondContact O-N 3.26Å; K83-T85 PolarHBondContact O-N 3.48Å; K83-T85 VanDerWaalsContact O-N 3.12Å; K83-D118 WeakPolarHBondContact CE-OD1 3.23Å
84	Y	97.8	Very high	98.4	Very high	121 Å²	121	37.1 Å²	37.1	48%	0.475	19%	0.186	S	C	.	.			trans	-88.1	42.2	-177.4	-61.5	-71.6	0	0	0	113.2	G81 P82 E86 R87 R88	G81-Y84 PolarHBondContact O-N 2.85Å; P82-Y84 PolarHBondContact O-N 2.84Å; Y84-E86 PolarHBondContact O-N 3.01Å; Y84-R87 HydrophobicContact CD1-CG 4.39Å; Y84-R87 PolarHBondContact O-N 3.34Å; Y84-R87 VanDerWaalsContact O-N 3.11Å; Y84-R88 PolarHBondContact O-N 2.85Å; Y84-R88 VanDerWaalsContact O-N 3.11Å
85	T	97.8	Very high	98.4	Very high	67 Å²	67	38 Å²	38	41%	0.411	19%	0.189	S	C	.	.	H	α-helix	trans	-56.5	-37.5	179.1	-51.6	0	0	0	0	112.1	K83 R88 S89	K83-T85 PolarHBondContact O-N 3.48Å; K83-T85 VanDerWaalsContact O-N 3.12Å; T85-R88 PolarHBondContact O-N 2.83Å; T85-R88 PolarHBondContact OG1-NH2 3.44Å; T85-S89 WeakPolarHBondContact O-CB 3.45Å; T85-S89 PolarHBondContact O-N 2.73Å
86	E	98.3	Very high	98.4	Very high	138 Å²	138	39.4 Å²	39.4	65%	0.645	20%	0.197	S	C	*	.	H	α-helix	trans	-66.5	-39.2	178.1	-165.5	177	-161.3	0	0	112.4	Y84 S89 I90 L293	Y84-E86 PolarHBondContact O-N 3.01Å; E86-S89 WeakPolarHBondContact O-CB 3.32Å; E86-S89 PolarHBondContact O-N 2.82Å; E86-I90 PolarHBondContact O-N 3.27Å; E86-L293 HydrophobicContact CG-CD1 3.59Å; E86-L293 WeakPolarHBondContact OE1-CD1 3.22Å
87	R	98.5	Very high	98.3	Very high	72 Å²	72	41.8 Å²	41.8	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-45.1	173.4	-67.5	-171.3	170.9	-162.9	-9.7	111.3	Y84 S89 I90 I91 D170 D171 L293	Y84-R87 HydrophobicContact CD1-CG 4.39Å; Y84-R87 PolarHBondContact O-N 3.34Å; Y84-R87 VanDerWaalsContact O-N 3.11Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.08Å; R87-I90 VanDerWaalsContact O-CG2 3.3Å; R87-I90 WeakPolarHBondContact O-CG2 3.47Å; R87-I90 PolarHBondContact O-N 2.78Å; R87-I91 WeakPolarHBondContact O-CB 3.15Å; R87-I91 VanDerWaalsContact O-CG1 3.24Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 3.23Å; R87-D170 HydrophobicContact CB-CB 4.22Å; R87-D170 VanDerWaalsContact CD-OD2 3.24Å; R87-D170 WeakPolarHBondContact CD-OD2 3.46Å; R87-D170 IonicContact CZ-OD1 2.66Å; R87-D170 IonicContact NH1-OD1 2.85Å; R87-D170 PolarHBondContact NH1-OD1 2.72Å; R87-D170 IonicContact NH1-OD2 3.64Å; R87-D171 IonicContact NH1-OD2 3.28Å; R87-L293 HydrophobicContact CG-CD2 4.08Å
88	R	98.8	Very high	98	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-43.2	175.2	-62.8	-169.2	-72.5	-81.5	9.3	111.6	T80 G81 P82 Y84 T85 I91 R92 F107 E125	T80-R88 HydrophobicContact CG2-CG 3.96Å; T80-R88 PolarHBondContact OG1-NH1 3.36Å; G81-R88 PolarHBondContact O-NH1 3.19Å; P82-R88 PolarHBondContact O-NH2 2.73Å; Y84-R88 PolarHBondContact O-N 2.85Å; Y84-R88 VanDerWaalsContact O-N 3.11Å; T85-R88 PolarHBondContact O-N 2.83Å; T85-R88 PolarHBondContact OG1-NH2 3.44Å; R88-I91 PolarHBondContact O-N 3.04Å; R88-R92 WeakPolarHBondContact O-CG 3.43Å; R88-R92 PolarHBondContact O-N 3.39Å; R88-F107 HydrophobicContact CB-CD1 4.07Å; R88-F107 HydrophobicContact CB-CD2 4.45Å; R88-F107 HydrophobicContact CB-CE1 3.93Å; R88-F107 HydrophobicContact CB-CE2 4.33Å; R88-F107 HydrophobicContact CB-CG 4.31Å; R88-F107 HydrophobicContact CB-CZ 4.06Å; R88-F107 HydrophobicContact CG-CB 4.3Å; R88-F107 HydrophobicContact CG-CD1 3.52Å; R88-F107 HydrophobicContact CG-CD2 4.4Å; R88-F107 HydrophobicContact CG-CE1 3.85Å; R88-F107 HydrophobicContact CG-CG 3.82Å; R88-F107 HydrophobicContact CG-CZ 4.42Å; R88-E125 WeakPolarHBondContact CD-OE1 3.4Å; R88-E125 IonicContact CZ-OE1 3.95Å; R88-E125 IonicContact CZ-OE2 3.52Å; R88-E125 VanDerWaalsContact CZ-OE2 3.3Å; R88-E125 VanDerWaalsContact NE-CD 3.32Å; R88-E125 IonicContact NE-OE1 2.65Å; R88-E125 PolarHBondContact NE-OE1 2.91Å; R88-E125 IonicContact NE-OE2 2.72Å; R88-E125 PolarHBondContact NE-OE2 2.76Å; R88-E125 VanDerWaalsContact NE-OE2 3.08Å; R88-E125 IonicContact NH2-OE1 3.7Å; R88-E125 IonicContact NH2-OE2 3.6Å; R88-E125 PolarHBondContact NH2-OE2 2.93Å
89	S	98.7	Very high	97.7	Very high	67 Å²	67	61.9 Å²	61.9	47%	0.469	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-46.4	177.5	-170.3	0	0	0	0	112.1	T85 E86 R87 I91 R92 S93	T85-S89 WeakPolarHBondContact O-CB 3.45Å; T85-S89 PolarHBondContact O-N 2.73Å; E86-S89 WeakPolarHBondContact O-CB 3.32Å; E86-S89 PolarHBondContact O-N 2.82Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.08Å; S89-I91 VanDerWaalsContact C-N 3.35Å; S89-I91 PolarHBondContact O-N 3.19Å; S89-R92 PolarHBondContact O-N 2.76Å; S89-S93 PolarHBondContact O-N 2.94Å; S89-S93 PolarHBondContact O-OG 3.46Å
90	I	98.8	Very high	97.5	Very high	20 Å²	20	64 Å²	64	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-38.7	179.9	-153.2	62.1	0	0	0	111.9	E86 R87 S93 T94 L293 M296 L297	E86-I90 PolarHBondContact O-N 3.27Å; R87-I90 VanDerWaalsContact O-CG2 3.3Å; R87-I90 WeakPolarHBondContact O-CG2 3.47Å; R87-I90 PolarHBondContact O-N 2.78Å; I90-S93 PolarHBondContact O-N 2.96Å; I90-S93 PolarHBondContact O-OG 3.22Å; I90-T94 HydrophobicContact CD1-CG2 4.37Å; I90-T94 HydrophobicContact CG1-CG2 4.2Å; I90-T94 VanDerWaalsContact O-CB 3.3Å; I90-T94 WeakPolarHBondContact O-CB 3.46Å; I90-T94 VanDerWaalsContact O-CG2 3.28Å; I90-T94 WeakPolarHBondContact O-CG2 3.48Å; I90-T94 PolarHBondContact O-N 3.31Å; I90-T94 PolarHBondContact O-OG1 2.87Å; I90-L293 HydrophobicContact CB-CD2 4.05Å; I90-L293 HydrophobicContact CG1-CB 4.37Å; I90-L293 HydrophobicContact CG2-CD2 3.47Å; I90-L293 VanDerWaalsContact CG2-CD2 3.47Å; I90-M296 HydrophobicContact CG1-CB 4.33Å; I90-M296 HydrophobicContact CG2-SD 3.6Å; I90-M296 VanDerWaalsContact CG2-SD 3.6Å; I90-L297 HydrophobicContact CD1-CD1 3.75Å; I90-L297 HydrophobicContact CD1-CD2 3.49Å; I90-L297 VanDerWaalsContact CD1-CD2 3.49Å; I90-L297 HydrophobicContact CD1-CG 3.41Å; I90-L297 VanDerWaalsContact CD1-CG 3.41Å; I90-L297 HydrophobicContact CG1-CD2 4.44Å; I90-L297 HydrophobicContact CG1-CG 4.07Å
91	I	98.9	Very high	97.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-45.6	176.9	-70.5	170.9	0	0	0	110	I78 R87 R88 S89 S93 T94 W95 L96 F107 D170 M296	I78-I91 HydrophobicContact CG2-CD1 3.95Å; R87-I91 WeakPolarHBondContact O-CB 3.15Å; R87-I91 VanDerWaalsContact O-CG1 3.24Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 3.23Å; R88-I91 PolarHBondContact O-N 3.04Å; S89-I91 VanDerWaalsContact C-N 3.35Å; S89-I91 PolarHBondContact O-N 3.19Å; I91-S93 VanDerWaalsContact C-N 3.34Å; I91-S93 PolarHBondContact O-N 2.76Å; I91-T94 PolarHBondContact O-N 2.91Å; I91-W95 HydrophobicContact CB-CZ2 4.46Å; I91-W95 HydrophobicContact CD1-CZ2 4.25Å; I91-W95 HydrophobicContact CG1-CZ2 4.2Å; I91-W95 HydrophobicContact CG2-CD2 4.23Å; I91-W95 HydrophobicContact CG2-CH2 4.18Å; I91-W95 HydrophobicContact CG2-CZ2 3.5Å; I91-W95 PolarHBondContact O-N 3.43Å; I91-L96 HydrophobicContact CG2-CB 4.49Å; I91-L96 HydrophobicContact CG2-CD1 3.55Å; I91-L96 HydrophobicContact CG2-CG 3.67Å; I91-L96 WeakPolarHBondContact O-CB 3.44Å; I91-L96 PolarHBondContact O-N 2.96Å; I91-F107 HydrophobicContact CB-CE1 4.05Å; I91-F107 HydrophobicContact CB-CZ 4.06Å; I91-F107 HydrophobicContact CD1-CE1 4.11Å; I91-F107 HydrophobicContact CG2-CE1 3.84Å; I91-F107 HydrophobicContact CG2-CZ 3.76Å; I91-D170 HydrophobicContact CD1-CB 4.3Å; I91-M296 HydrophobicContact CG1-CE 4.34Å; I91-M296 HydrophobicContact CG1-SD 3.88Å
92	R	98.7	Very high	97.3	Very high	37 Å²	37	72.6 Å²	72.6	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-41.2	175.1	-73.3	-178.4	-168.5	111.2	0	112.9	R88 S89 T94 L96 A97 F107 E125 D131	R88-R92 WeakPolarHBondContact O-CG 3.43Å; R88-R92 PolarHBondContact O-N 3.39Å; S89-R92 PolarHBondContact O-N 2.76Å; R92-T94 VanDerWaalsContact C-N 3.35Å; R92-L96 CarbonylContact O-C 3.51Å; R92-A97 VanDerWaalsContact O-CA 3.23Å; R92-A97 WeakPolarHBondContact O-CA 3.26Å; R92-A97 PolarHBondContact O-N 3.02Å; R92-F107 HydrophobicContact CG-CE2 3.77Å; R92-F107 HydrophobicContact CG-CZ 3.93Å; R92-E125 IonicContact CZ-OE1 3.23Å; R92-E125 VanDerWaalsContact CZ-OE1 3.23Å; R92-E125 IonicContact NH1-OE1 3.71Å; R92-E125 PolarHBondContact NH1-OE1 2.79Å; R92-E125 IonicContact NH2-OE1 3.56Å; R92-E125 PolarHBondContact NH2-OE1 3.3Å; R92-D131 IonicContact CZ-OD1 3.2Å; R92-D131 IonicContact CZ-OD2 2.71Å; R92-D131 IonicContact NE-OD1 2.94Å; R92-D131 IonicContact NE-OD2 3.74Å; R92-D131 PolarHBondContact NE-OD2 3.25Å; R92-D131 IonicContact NH2-OD1 2.92Å; R92-D131 PolarHBondContact NH2-OD1 2.98Å; R92-D131 IonicContact NH2-OD2 3.5Å; R92-D131 PolarHBondContact NH2-OD2 3.01Å
93	S	98.4	Very high	97.3	Very high	62 Å²	62	72.9 Å²	72.9	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-85.4	-6.5	-177.5	67.9	0	0	0	0	114.1	S89 I90 I91	S89-S93 PolarHBondContact O-N 2.94Å; S89-S93 PolarHBondContact O-OG 3.46Å; I90-S93 PolarHBondContact O-N 2.96Å; I90-S93 PolarHBondContact O-OG 3.22Å; I91-S93 VanDerWaalsContact C-N 3.34Å; I91-S93 PolarHBondContact O-N 2.76Å
94	T	98.7	Very high	97.4	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.006	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-102.2	179.7	59.9	0	0	0	0	111.7	I90 I91 R92 L96 A97 M296 L297 H300	I90-T94 HydrophobicContact CD1-CG2 4.37Å; I90-T94 HydrophobicContact CG1-CG2 4.2Å; I90-T94 VanDerWaalsContact O-CB 3.3Å; I90-T94 WeakPolarHBondContact O-CB 3.46Å; I90-T94 VanDerWaalsContact O-CG2 3.28Å; I90-T94 WeakPolarHBondContact O-CG2 3.48Å; I90-T94 PolarHBondContact O-N 3.31Å; I90-T94 PolarHBondContact O-OG1 2.87Å; I91-T94 PolarHBondContact O-N 2.91Å; R92-T94 VanDerWaalsContact C-N 3.35Å; T94-L96 PolarHBondContact O-N 3.36Å; T94-A97 WeakPolarHBondContact O-CB 3.25Å; T94-A97 PolarHBondContact O-N 2.99Å; T94-M296 HydrophobicContact CG2-CB 4.43Å; T94-L297 HydrophobicContact CG2-CD2 3.99Å; T94-L297 HydrophobicContact CG2-CG 4.49Å; T94-H300 HydrophobicContact CG2-CB 3.82Å; T94-H300 PolarHBondContact O-CE1 3.01Å; T94-H300 PolarHBondContact O-ND1 3.21Å
95	W	97.9	Very high	97.5	Very high	19 Å²	19	63.2 Å²	63.2	7%	0.072	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.1	-169.9	61.5	-88.8	0	0	0	114.5	V76 I78 I91 F166 A168 T172 F173 A174 L176	V76-W95 HydrophobicContact CG1-CH2 3.99Å; V76-W95 HydrophobicContact CG1-CZ3 3.95Å; I78-W95 HydrophobicContact CD1-CH2 4.31Å; I78-W95 HydrophobicContact CG1-CH2 3.85Å; I78-W95 HydrophobicContact CG1-CZ2 4.24Å; I91-W95 HydrophobicContact CB-CZ2 4.46Å; I91-W95 HydrophobicContact CD1-CZ2 4.25Å; I91-W95 HydrophobicContact CG1-CZ2 4.2Å; I91-W95 HydrophobicContact CG2-CD2 4.23Å; I91-W95 HydrophobicContact CG2-CH2 4.18Å; I91-W95 HydrophobicContact CG2-CZ2 3.5Å; I91-W95 PolarHBondContact O-N 3.43Å; W95-F166 HydrophobicContact CH2-CE1 4.5Å; W95-F166 HydrophobicContact CZ3-CE1 4.44Å; W95-A168 HydrophobicContact CH2-CB 4.4Å; W95-T172 PolarHBondContact NE1-O 3.18Å; W95-F173 HydrophobicContact CB-CD2 4.15Å; W95-F173 HydrophobicContact CB-CE1 4.32Å; W95-F173 HydrophobicContact CB-CE2 3.88Å; W95-F173 HydrophobicContact CB-CZ 3.97Å; W95-F173 AromaticContact CD1-CD2 3.51Å; W95-F173 AromaticContact CD1-CE2 3.97Å; W95-F173 HydrophobicContact CG-CD2 4.11Å; W95-F173 HydrophobicContact CG-CE2 4.3Å; W95-F173 HydrophobicContact CG-CG 4.4Å; W95-A174 VanDerWaalsContact CB-O 3.29Å; W95-A174 WeakPolarHBondContact CB-O 3.29Å; W95-A174 HydrophobicContact CD2-CB 4.38Å; W95-A174 HydrophobicContact CE3-CB 3.94Å; W95-A174 HydrophobicContact CZ3-CB 4.07Å; W95-L176 HydrophobicContact CE3-CD1 3.87Å; W95-L176 HydrophobicContact CE3-CD2 4.3Å; W95-L176 HydrophobicContact CE3-CG 3.88Å; W95-L176 HydrophobicContact CZ3-CD1 3.99Å; W95-L176 HydrophobicContact CZ3-CD2 4.08Å; W95-L176 HydrophobicContact CZ3-CG 4.12Å
96	L	98.2	Very high	97.5	Very high	29 Å²	29	60.7 Å²	60.7	15%	0.152	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	4	163.8	-60.8	-172.5	0	0	0	113.9	I78 I91 R92 T94 K98 A105 F107 L176	I78-L96 HydrophobicContact CD1-CD1 4.13Å; I91-L96 HydrophobicContact CG2-CB 4.49Å; I91-L96 HydrophobicContact CG2-CD1 3.55Å; I91-L96 HydrophobicContact CG2-CG 3.67Å; I91-L96 WeakPolarHBondContact O-CB 3.44Å; I91-L96 PolarHBondContact O-N 2.96Å; R92-L96 CarbonylContact O-C 3.51Å; T94-L96 PolarHBondContact O-N 3.36Å; L96-K98 VanDerWaalsContact C-N 3.25Å; L96-K98 PolarHBondContact O-N 2.82Å; L96-A105 HydrophobicContact CD1-CB 3.81Å; L96-A105 HydrophobicContact CD2-CB 4Å; L96-F107 HydrophobicContact CD1-CE2 4.44Å; L96-F107 HydrophobicContact CD1-CZ 4.02Å; L96-L176 HydrophobicContact CD2-CD1 3.41Å; L96-L176 VanDerWaalsContact CD2-CD1 3.41Å
97	A	97.2	Very high	97.5	Very high	49 Å²	49	54.1 Å²	54.1	41%	0.405	28%	0.283	S	S	.	.			trans	-62.8	-33.8	-174.7	0	0	0	0	0	112.8	R92 T94 R99	R92-A97 VanDerWaalsContact O-CA 3.23Å; R92-A97 WeakPolarHBondContact O-CA 3.26Å; R92-A97 PolarHBondContact O-N 3.02Å; T94-A97 WeakPolarHBondContact O-CB 3.25Å; T94-A97 PolarHBondContact O-N 2.99Å; A97-R99 PolarHBondContact O-N 2.92Å
98	K	93.9	Very high	97.6	Very high	179 Å²	179	50.7 Å²	50.7	78%	0.778	27%	0.27	S	S	*	.	S	Bend	trans	-83.9	111.2	176.1	-172.7	178.4	179.5	-177.3	0	109.5	L96	L96-K98 VanDerWaalsContact C-N 3.25Å; L96-K98 PolarHBondContact O-N 2.82Å
99	R	91.8	Very high	97.6	Very high	243 Å²	243	50.7 Å²	50.7	92%	0.917	27%	0.27	S	S	*	.			trans	-67.6	137.3	172.9	-63.6	-172.9	178.5	-167.7	-1.4	110.7	A97	A97-R99 PolarHBondContact O-N 2.92Å
100	D	95.1	Very high	97.6	Very high	58 Å²	58	47.5 Å²	47.5	31%	0.31	25%	0.247	S	C	.	.			trans	-136.8	123.1	175.7	-176.7	-36.8	0	0	0	107.5	D102 V103 K180	D100-D102 PolarHBondContact O-N 3.01Å; D100-D102 PolarHBondContact OD1-N 3.06Å; D100-V103 HydrophobicContact CB-CB 4.08Å; D100-V103 HydrophobicContact CB-CG2 3.85Å; D100-V103 PolarHBondContact O-N 3Å; D100-V103 VanDerWaalsContact O-N 3.11Å; D100-K180 IonicContact OD1-NZ 2.76Å; D100-K180 PolarHBondContact OD1-NZ 3.3Å; D100-K180 VanDerWaalsContact OD2-CD 3.3Å; D100-K180 WeakPolarHBondContact OD2-CD 3.43Å; D100-K180 IonicContact OD2-NZ 2.73Å; D100-K180 PolarHBondContact OD2-NZ 2.87Å
101	S	95	Very high	97.5	Very high	114 Å²	114	47.4 Å²	47.4	80%	0.797	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.8	-175	53.2	0	0	0	0	113.7	V103	S101-V103 VanDerWaalsContact C-N 3.31Å
102	D	96.9	Very high	97.5	Very high	75 Å²	75	50.8 Å²	50.8	40%	0.401	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.8	177.6	-43.2	-41.5	0	0	0	112	F73 L74 D100 K180	F73-D102 HydrophobicContact CB-CB 3.71Å; F73-D102 WeakPolarHBondContact CB-O 3.18Å; F73-D102 PolarHBondContact N-O 2.82Å; L74-D102 PolarHBondContact N-O 2.66Å; D100-D102 PolarHBondContact O-N 3.01Å; D100-D102 PolarHBondContact OD1-N 3.06Å; D102-K180 IonicContact OD2-NZ 3.87Å; D102-K180 PolarHBondContact OD2-NZ 2.9Å
103	V	98.3	Very high	97.4	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.6	179.1	-177.3	0	0	0	0	110.4	L74 V76 D100 S101 K180	L74-V103 HydrophobicContact CB-CG2 4.37Å; L74-V103 VanDerWaalsContact O-CA 3.25Å; L74-V103 WeakPolarHBondContact O-CA 3.5Å; V76-V103 HydrophobicContact CG2-CG1 3.89Å; D100-V103 HydrophobicContact CB-CB 4.08Å; D100-V103 HydrophobicContact CB-CG2 3.85Å; D100-V103 PolarHBondContact O-N 3Å; D100-V103 VanDerWaalsContact O-N 3.11Å; S101-V103 VanDerWaalsContact C-N 3.31Å; V103-K180 HydrophobicContact CG2-CD 4.13Å
104	L	98.4	Very high	97.4	Very high	44 Å²	44	50.3 Å²	50.3	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.3	170.9	174.9	64.9	0	0	0	109.1	L70 A72 L74 V75 V76 M106 V160	L70-L104 HydrophobicContact CD1-CD2 4.13Å; A72-L104 HydrophobicContact CB-CB 3.73Å; L74-L104 PolarHBondContact O-N 2.93Å; V75-L104 CarbonylContact C-O 3.56Å; V75-L104 VanDerWaalsContact CA-O 3.26Å; V75-L104 WeakPolarHBondContact CA-O 3.06Å; V75-L104 HydrophobicContact CG2-CB 4.31Å; V75-L104 HydrophobicContact CG2-CD2 4.47Å; V76-L104 PolarHBondContact N-O 2.82Å; L104-M106 HydrophobicContact CD1-CG 4.39Å; L104-M106 HydrophobicContact CD2-CE 4.36Å; L104-M106 HydrophobicContact CG-CG 4.41Å; L104-V160 HydrophobicContact CD2-CG1 4.07Å; L104-V160 HydrophobicContact CD2-CG2 3.98Å
105	A	98.6	Very high	97.4	Very high	25 Å²	25	52.8 Å²	52.8	21%	0.207	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.8	176.7	0	0	0	0	0	111	V76 L96	V76-A105 HydrophobicContact CB-CB 4.06Å; V76-A105 CarbonylContact O-C 3.59Å; V76-A105 WeakPolarHBondContact O-CA 3.21Å; L96-A105 HydrophobicContact CD1-CB 3.81Å; L96-A105 HydrophobicContact CD2-CB 4Å
106	M	98.8	Very high	97.4	Very high	15 Å²	15	56.7 Å²	56.7	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.5	175.4	-59.6	-173.5	-69.8	0	0	112.8	V76 L77 I78 L104 D131 L133 W155	V76-M106 PolarHBondContact O-N 2.95Å; L77-M106 HydrophobicContact CD2-CB 4.27Å; L77-M106 HydrophobicContact CD2-CE 3.67Å; I78-M106 WeakPolarHBondContact CD1-O 3.43Å; I78-M106 PolarHBondContact N-O 2.86Å; L104-M106 HydrophobicContact CD1-CG 4.39Å; L104-M106 HydrophobicContact CD2-CE 4.36Å; L104-M106 HydrophobicContact CG-CG 4.41Å; M106-D131 CarbonylContact C-O 3.47Å; M106-D131 WeakPolarHBondContact CA-O 3.38Å; M106-L133 HydrophobicContact CB-CB 4.37Å; M106-L133 HydrophobicContact CE-CD2 4.37Å; M106-L133 HydrophobicContact SD-CB 4.29Å; M106-W155 HydrophobicContact CE-CE3 3.75Å; M106-W155 HydrophobicContact CE-CH2 3.28Å; M106-W155 HydrophobicContact CE-CZ2 4.28Å; M106-W155 HydrophobicContact CE-CZ3 2.98Å; M106-W155 HydrophobicContact SD-CH2 3.59Å; M106-W155 VanDerWaalsContact SD-CH2 3.59Å; M106-W155 HydrophobicContact SD-CZ2 4.23Å; M106-W155 HydrophobicContact SD-CZ3 3.96Å
107	F	98.9	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119	173.2	-64.7	-76.5	0	0	0	110.1	I78 T80 R88 I91 R92 L96 D131 L132 L133	I78-F107 HydrophobicContact CB-CD1 3.73Å; I78-F107 HydrophobicContact CB-CE1 4.04Å; I78-F107 HydrophobicContact CD1-CD1 4.28Å; I78-F107 HydrophobicContact CD1-CE1 4.15Å; I78-F107 HydrophobicContact CG1-CD1 4.31Å; I78-F107 HydrophobicContact CG1-CE1 4.19Å; I78-F107 HydrophobicContact CG2-CD1 3.89Å; I78-F107 HydrophobicContact CG2-CE1 4.05Å; I78-F107 WeakPolarHBondContact O-CA 3.24Å; T80-F107 HydrophobicContact CG2-CB 3.8Å; T80-F107 HydrophobicContact CG2-CD1 4.14Å; T80-F107 HydrophobicContact CG2-CG 4.42Å; R88-F107 HydrophobicContact CB-CD1 4.07Å; R88-F107 HydrophobicContact CB-CD2 4.45Å; R88-F107 HydrophobicContact CB-CE1 3.93Å; R88-F107 HydrophobicContact CB-CE2 4.33Å; R88-F107 HydrophobicContact CB-CG 4.31Å; R88-F107 HydrophobicContact CB-CZ 4.06Å; R88-F107 HydrophobicContact CG-CB 4.3Å; R88-F107 HydrophobicContact CG-CD1 3.52Å; R88-F107 HydrophobicContact CG-CD2 4.4Å; R88-F107 HydrophobicContact CG-CE1 3.85Å; R88-F107 HydrophobicContact CG-CG 3.82Å; R88-F107 HydrophobicContact CG-CZ 4.42Å; I91-F107 HydrophobicContact CB-CE1 4.05Å; I91-F107 HydrophobicContact CB-CZ 4.06Å; I91-F107 HydrophobicContact CD1-CE1 4.11Å; I91-F107 HydrophobicContact CG2-CE1 3.84Å; I91-F107 HydrophobicContact CG2-CZ 3.76Å; R92-F107 HydrophobicContact CG-CE2 3.77Å; R92-F107 HydrophobicContact CG-CZ 3.93Å; L96-F107 HydrophobicContact CD1-CE2 4.44Å; L96-F107 HydrophobicContact CD1-CZ 4.02Å; F107-D131 WeakPolarHBondContact CE2-OD2 3.22Å; F107-D131 PolarHBondContact N-O 3.27Å; F107-L132 HydrophobicContact CB-CD2 3.72Å; F107-L132 HydrophobicContact CD2-CD2 4.29Å; F107-L132 HydrophobicContact CG-CD2 4.39Å; F107-L132 WeakPolarHBondContact O-CA 3.42Å; F107-L133 PolarHBondContact O-N 2.62Å
108	V	98.9	Very high	97.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.8	-173.6	-172.3	0	0	0	0	110.4	L77 I78 T80 L133 L135 K148 M152	L77-V108 HydrophobicContact CB-CG2 4.17Å; L77-V108 HydrophobicContact CD2-CG2 4.19Å; I78-V108 PolarHBondContact O-N 3.4Å; T80-V108 PolarHBondContact N-O 2.52Å; V108-L133 WeakPolarHBondContact CA-O 3.5Å; V108-L133 HydrophobicContact CG1-CD2 4.35Å; V108-L133 HydrophobicContact CG1-CG 4.49Å; V108-L133 HydrophobicContact CG2-CB 4.34Å; V108-L133 HydrophobicContact CG2-CD2 4.12Å; V108-L135 HydrophobicContact CG1-CD1 3.56Å; V108-L135 HydrophobicContact CG1-CG 4.14Å; V108-K148 HydrophobicContact CG1-CD 4.13Å; V108-K148 HydrophobicContact CG1-CG 3.88Å; V108-M152 HydrophobicContact CB-SD 4.43Å; V108-M152 HydrophobicContact CG1-CB 3.9Å; V108-M152 HydrophobicContact CG1-SD 4.33Å; V108-M152 HydrophobicContact CG2-CB 4.22Å; V108-M152 HydrophobicContact CG2-SD 3.94Å
109	V	98.8	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.8	-174.2	178.6	0	0	0	0	110.7	T80 P82 T111 L122 L133 L134 L135	T80-V109 HydrophobicContact CG2-CG2 3.68Å; P82-V109 HydrophobicContact CB-CG1 3.96Å; V109-T111 HydrophobicContact CG1-CG2 4.31Å; V109-L122 HydrophobicContact CG1-CD1 3.99Å; V109-L122 HydrophobicContact CG1-CD2 4.32Å; V109-L133 PolarHBondContact N-O 2.97Å; V109-L134 HydrophobicContact CB-CD2 4.07Å; V109-L134 WeakPolarHBondContact O-CA 3.41Å; V109-L135 PolarHBondContact O-N 3.29Å
110	G	98.6	Very high	97.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.9	167.7	0	0	0	0	0	110.8	L138 D140	G110-L138 CarbonylContact C-O 3.46Å; G110-L138 VanDerWaalsContact CA-O 3.28Å; G110-L138 WeakPolarHBondContact CA-O 3.43Å; G110-D140 PolarHBondContact N-OD2 3.14Å
111	T	98.4	Very high	98	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.104	30%	0.303	C	S	.	.			trans	-115.9	1	-176.6	57.9	0	0	0	0	114.2	V109 G113 L114 L119 L122 L134 L135 P136 L138	V109-T111 HydrophobicContact CG1-CG2 4.31Å; T111-G113 PolarHBondContact O-N 3.48Å; T111-L114 HydrophobicContact CG2-CD1 4.06Å; T111-L114 WeakPolarHBondContact O-CG 3.2Å; T111-L114 PolarHBondContact O-N 3.27Å; T111-L119 HydrophobicContact CG2-CD2 4.39Å; T111-L122 HydrophobicContact CG2-CD1 3.89Å; T111-L134 HydrophobicContact CG2-CB 3.98Å; T111-L134 HydrophobicContact CG2-CD1 4.49Å; T111-L134 HydrophobicContact CG2-CD2 3.87Å; T111-L134 HydrophobicContact CG2-CG 4.32Å; T111-L135 PolarHBondContact N-O 2.97Å; T111-L135 PolarHBondContact OG1-O 3.32Å; T111-P136 VanDerWaalsContact OG1-CA 3.25Å; T111-P136 WeakPolarHBondContact OG1-CA 3.48Å; T111-L138 PolarHBondContact N-O 3.37Å
112	Q	98.1	Very high	98.2	Very high	71 Å²	71	46.4 Å²	46.4	33%	0.332	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	129.1	178.1	-158.8	174.5	10	0	0	110.9	L114 P136 D137 L138 W139	Q112-L114 VanDerWaalsContact C-N 3.26Å; Q112-L114 PolarHBondContact O-N 3.04Å; Q112-P136 WeakPolarHBondContact CA-O 3.39Å; Q112-P136 VanDerWaalsContact CB-O 3.26Å; Q112-P136 WeakPolarHBondContact CB-O 3.27Å; Q112-D137 PolarHBondContact OE1-O 3.47Å; Q112-D137 VanDerWaalsContact OE1-O 3.08Å; Q112-L138 VanDerWaalsContact CB-O 3.26Å; Q112-L138 WeakPolarHBondContact CB-O 3.21Å; Q112-L138 PolarHBondContact N-O 3.06Å; Q112-W139 HydrophobicContact CB-CD2 4.35Å; Q112-W139 HydrophobicContact CB-CG 4.14Å; Q112-W139 HydrophobicContact CG-CD2 4.39Å; Q112-W139 HydrophobicContact CG-CG 4.38Å; Q112-W139 HydrophobicContact CG-CZ2 4.38Å
113	G	97.4	Very high	98.2	Very high	53 Å²	53	47.5 Å²	47.5	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	10.1	175.8	0	0	0	0	0	115.5	T111	T111-G113 PolarHBondContact O-N 3.48Å
114	L	97.9	Very high	98.2	Very high	37 Å²	37	48.9 Å²	48.9	19%	0.194	28%	0.28	C	S	.	.			trans	-67.8	151	173	-63.9	-172.7	0	0	0	111.9	P82 T111 Q112 D118 L119 L122	P82-L114 HydrophobicContact CB-CD1 3.78Å; P82-L114 HydrophobicContact CB-CD2 4.09Å; P82-L114 HydrophobicContact CG-CD1 4.34Å; P82-L114 HydrophobicContact CG-CD2 3.78Å; T111-L114 HydrophobicContact CG2-CD1 4.06Å; T111-L114 WeakPolarHBondContact O-CG 3.2Å; T111-L114 PolarHBondContact O-N 3.27Å; Q112-L114 VanDerWaalsContact C-N 3.26Å; Q112-L114 PolarHBondContact O-N 3.04Å; L114-D118 HydrophobicContact CB-CB 4.15Å; L114-D118 HydrophobicContact CD1-CB 4.42Å; L114-L119 HydrophobicContact CB-CD2 4.05Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4.15Å; L114-L122 HydrophobicContact CD1-CD1 3.58Å
115	S	97.9	Very high	98.3	Very high	52 Å²	52	47.2 Å²	47.2	36%	0.364	27%	0.271	S	S	.	.			trans	-66	157.3	171.2	71.2	0	0	0	0	110.9	E117 D118 L119	S115-E117 PolarHBondContact O-N 3.35Å; S115-D118 PolarHBondContact O-N 3.46Å; S115-D118 WeakPolarHBondContact OG-CB 3.11Å; S115-D118 VanDerWaalsContact OG-CG 3.23Å; S115-D118 PolarHBondContact OG-N 3.32Å; S115-D118 VanDerWaalsContact OG-N 3.07Å; S115-D118 PolarHBondContact OG-OD2 3.21Å; S115-L119 WeakPolarHBondContact O-CG 3.33Å; S115-L119 PolarHBondContact O-N 2.93Å
116	S	97.6	Very high	98.2	Very high	102 Å²	102	48.6 Å²	48.6	71%	0.713	27%	0.273	S	S	*	.	H	α-helix	trans	-57.8	-33.6	174.4	-53.5	0	0	0	0	112.3	Q120	S116-Q120 WeakPolarHBondContact O-CB 3.31Å; S116-Q120 PolarHBondContact O-N 3.25Å
117	E	97.7	Very high	98.2	Very high	141 Å²	141	50.6 Å²	50.6	66%	0.659	30%	0.297	S	S	*	.	H	α-helix	trans	-66.7	-49.7	176.1	-175.8	-178	176.3	0	0	111.6	S115 L119 Q120 N121	S115-E117 PolarHBondContact O-N 3.35Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.33Å; E117-Q120 PolarHBondContact O-N 3.35Å; E117-N121 PolarHBondContact O-N 3.46Å; E117-N121 PolarHBondContact O-ND2 3.38Å
118	D	97.9	Very high	98.2	Very high	31 Å²	31	59.6 Å²	59.6	17%	0.166	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-41.6	177.9	-70.3	-50	0	0	0	111.1	K83 L114 S115 N121 L122	K83-D118 WeakPolarHBondContact CE-OD1 3.23Å; L114-D118 HydrophobicContact CB-CB 4.15Å; L114-D118 HydrophobicContact CD1-CB 4.42Å; S115-D118 PolarHBondContact O-N 3.46Å; S115-D118 WeakPolarHBondContact OG-CB 3.11Å; S115-D118 VanDerWaalsContact OG-CG 3.23Å; S115-D118 PolarHBondContact OG-N 3.32Å; S115-D118 VanDerWaalsContact OG-N 3.07Å; S115-D118 PolarHBondContact OG-OD2 3.21Å; D118-N121 PolarHBondContact O-N 2.91Å; D118-L122 WeakPolarHBondContact O-CG 3.4Å; D118-L122 PolarHBondContact O-N 2.86Å
119	L	98	Very high	98.1	Very high	61 Å²	61	64 Å²	64	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.2	-72	171.7	0	0	0	112	T111 L114 S115 E117 N121 L122 N123	T111-L119 HydrophobicContact CG2-CD2 4.39Å; L114-L119 HydrophobicContact CB-CD2 4.05Å; L114-L119 HydrophobicContact CB-CG 3.89Å; L114-L119 HydrophobicContact CD1-CD2 4.15Å; S115-L119 WeakPolarHBondContact O-CG 3.33Å; S115-L119 PolarHBondContact O-N 2.93Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.33Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-L122 PolarHBondContact O-N 2.91Å; L119-N123 WeakPolarHBondContact O-CB 3.44Å; L119-N123 VanDerWaalsContact O-CG 3.22Å; L119-N123 PolarHBondContact O-N 2.99Å; L119-N123 PolarHBondContact O-ND2 3.48Å
120	Q	98	Very high	98.1	Very high	133 Å²	133	72 Å²	72	62%	0.621	39%	0.387	S	S	*	.	H	α-helix	trans	-66.6	-36.8	178.2	-175.5	139.4	7	0	0	112.2	S116 E117 N123 T124	S116-Q120 WeakPolarHBondContact O-CB 3.31Å; S116-Q120 PolarHBondContact O-N 3.25Å; E117-Q120 PolarHBondContact O-N 3.35Å; Q120-N123 PolarHBondContact O-N 2.92Å; Q120-T124 WeakPolarHBondContact O-CB 3.39Å; Q120-T124 PolarHBondContact O-N 2.96Å; Q120-T124 PolarHBondContact O-OG1 2.96Å
121	N	98.1	Very high	98.1	Very high	87 Å²	87	73.3 Å²	73.3	47%	0.465	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-47	173.4	-72.2	-27.2	0	0	0	111.4	E117 D118 L119 T124 E125	E117-N121 PolarHBondContact O-N 3.46Å; E117-N121 PolarHBondContact O-ND2 3.38Å; D118-N121 PolarHBondContact O-N 2.91Å; L119-N121 VanDerWaalsContact C-N 3.34Å; N121-T124 PolarHBondContact O-N 2.99Å; N121-E125 PolarHBondContact O-N 3.38Å
122	L	98.5	Very high	98.1	Very high	2 Å²	2	73 Å²	73	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175.5	-70.8	172.2	0	0	0	112.3	P82 V109 T111 L114 D118 L119 T124 E125 Q126 L132 L134	P82-L122 HydrophobicContact CB-CD1 4.06Å; V109-L122 HydrophobicContact CG1-CD1 3.99Å; V109-L122 HydrophobicContact CG1-CD2 4.32Å; T111-L122 HydrophobicContact CG2-CD1 3.89Å; L114-L122 HydrophobicContact CD1-CD1 3.58Å; D118-L122 WeakPolarHBondContact O-CG 3.4Å; D118-L122 PolarHBondContact O-N 2.86Å; L119-L122 PolarHBondContact O-N 2.91Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.64Å; L122-E125 PolarHBondContact O-N 2.98Å; L122-Q126 VanDerWaalsContact O-CB 3.31Å; L122-Q126 WeakPolarHBondContact O-CB 3.28Å; L122-Q126 PolarHBondContact O-N 3.31Å; L122-L132 HydrophobicContact CB-CD1 4.42Å; L122-L132 HydrophobicContact CD2-CD1 3.98Å; L122-L134 HydrophobicContact CD1-CD2 4.41Å
123	N	98.3	Very high	98.1	Very high	98 Å²	98	70 Å²	70	52%	0.524	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-38.7	176.8	-74.2	-28.6	0	0	0	112	L119 Q120 Q126 G127	L119-N123 WeakPolarHBondContact O-CB 3.44Å; L119-N123 VanDerWaalsContact O-CG 3.22Å; L119-N123 PolarHBondContact O-N 2.99Å; L119-N123 PolarHBondContact O-ND2 3.48Å; Q120-N123 PolarHBondContact O-N 2.92Å; N123-Q126 PolarHBondContact O-N 3.4Å; N123-G127 PolarHBondContact O-N 2.97Å
124	T	98.4	Very high	98.2	Very high	57 Å²	57	69.9 Å²	69.9	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-44.2	175.3	-59.9	0	0	0	0	111	Q120 N121 L122 G127 R128	Q120-T124 WeakPolarHBondContact O-CB 3.39Å; Q120-T124 PolarHBondContact O-N 2.96Å; Q120-T124 PolarHBondContact O-OG1 2.96Å; N121-T124 PolarHBondContact O-N 2.99Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.64Å; T124-G127 PolarHBondContact O-N 3.22Å; T124-R128 WeakPolarHBondContact O-CG 3.49Å; T124-R128 PolarHBondContact O-N 3.35Å
125	E	98.6	Very high	98.2	Very high	9 Å²	9	68.6 Å²	68.6	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-45.9	174.4	-172.5	-178.5	177.5	0	0	111.1	R88 R92 N121 L122 G127 R128 H129 L132	R88-E125 WeakPolarHBondContact CD-OE1 3.4Å; R88-E125 IonicContact CZ-OE1 3.95Å; R88-E125 IonicContact CZ-OE2 3.52Å; R88-E125 VanDerWaalsContact CZ-OE2 3.3Å; R88-E125 VanDerWaalsContact NE-CD 3.32Å; R88-E125 IonicContact NE-OE1 2.65Å; R88-E125 PolarHBondContact NE-OE1 2.91Å; R88-E125 IonicContact NE-OE2 2.72Å; R88-E125 PolarHBondContact NE-OE2 2.76Å; R88-E125 VanDerWaalsContact NE-OE2 3.08Å; R88-E125 IonicContact NH2-OE1 3.7Å; R88-E125 IonicContact NH2-OE2 3.6Å; R88-E125 PolarHBondContact NH2-OE2 2.93Å; R92-E125 IonicContact CZ-OE1 3.23Å; R92-E125 VanDerWaalsContact CZ-OE1 3.23Å; R92-E125 IonicContact NH1-OE1 3.71Å; R92-E125 PolarHBondContact NH1-OE1 2.79Å; R92-E125 IonicContact NH2-OE1 3.56Å; R92-E125 PolarHBondContact NH2-OE1 3.3Å; N121-E125 PolarHBondContact O-N 3.38Å; L122-E125 PolarHBondContact O-N 2.98Å; E125-G127 VanDerWaalsContact C-N 3.33Å; E125-G127 PolarHBondContact O-N 2.92Å; E125-R128 PolarHBondContact O-N 2.85Å; E125-R128 VanDerWaalsContact O-N 3.07Å; E125-H129 PolarHBondContact O-CD2 3.36Å; E125-H129 PolarHBondContact O-N 2.82Å; E125-L132 HydrophobicContact CB-CD1 4.22Å; E125-L132 HydrophobicContact CG-CD1 4.24Å
126	Q	98.4	Very high	98.2	Very high	55 Å²	55	70 Å²	70	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-38.5	179	-177.1	61.8	-9	0	0	112.3	L122 N123 R128 K130 L132	L122-Q126 VanDerWaalsContact O-CB 3.31Å; L122-Q126 WeakPolarHBondContact O-CB 3.28Å; L122-Q126 PolarHBondContact O-N 3.31Å; N123-Q126 PolarHBondContact O-N 3.4Å; Q126-R128 PolarHBondContact O-N 2.97Å; Q126-K130 VanDerWaalsContact O-CA 3.26Å; Q126-K130 WeakPolarHBondContact O-CA 3.3Å; Q126-K130 WeakPolarHBondContact O-CG 3.43Å; Q126-K130 PolarHBondContact O-N 3.33Å; Q126-L132 HydrophobicContact CB-CD1 4.14Å; Q126-L132 HydrophobicContact CB-CG 4.41Å; Q126-L132 PolarHBondContact NE2-O 3.44Å
127	G	98.4	Very high	98.1	Very high	56 Å²	56	70.8 Å²	70.8	58%	0.577	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-31.2	174.3	0	0	0	0	0	113.2	N123 T124 E125	N123-G127 PolarHBondContact O-N 2.97Å; T124-G127 PolarHBondContact O-N 3.22Å; E125-G127 VanDerWaalsContact C-N 3.33Å; E125-G127 PolarHBondContact O-N 2.92Å
128	R	97.9	Very high	98.1	Very high	189 Å²	189	64.2 Å²	64.2	71%	0.713	33%	0.331	S	S	*	.	H	α-helix	trans	-84.9	-46.4	179.7	-68.6	173.6	-177.9	161.8	2.5	113	T124 E125 Q126	T124-R128 WeakPolarHBondContact O-CG 3.49Å; T124-R128 PolarHBondContact O-N 3.35Å; E125-R128 PolarHBondContact O-N 2.85Å; E125-R128 VanDerWaalsContact O-N 3.07Å; Q126-R128 PolarHBondContact O-N 2.97Å
129	H	98	Very high	98.1	Very high	92 Å²	92	69.6 Å²	69.6	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-104.9	-27.8	-168	-61.3	-71.4	0	0	0	113.8	E125 D131	E125-H129 PolarHBondContact O-CD2 3.36Å; E125-H129 PolarHBondContact O-N 2.82Å; H129-D131 WeakPolarHBondContact CB-OD1 3.29Å; H129-D131 PolarHBondContact O-N 2.93Å
130	K	97.7	Very high	98	Very high	170 Å²	170	69 Å²	69	74%	0.739	35%	0.346	S	S	*	.			trans	54.7	32	178.9	-55.5	-178.4	178.7	-177.3	0	114	Q126	Q126-K130 VanDerWaalsContact O-CA 3.26Å; Q126-K130 WeakPolarHBondContact O-CA 3.3Å; Q126-K130 WeakPolarHBondContact O-CG 3.43Å; Q126-K130 PolarHBondContact O-N 3.33Å
131	D	98.2	Very high	97.8	Very high	27 Å²	27	64.5 Å²	64.5	14%	0.144	33%	0.329	C	S	.	.			trans	-128.1	13.8	-173.6	63.6	0.9	0	0	0	112.8	R92 M106 F107 H129	R92-D131 IonicContact CZ-OD1 3.2Å; R92-D131 IonicContact CZ-OD2 2.71Å; R92-D131 IonicContact NE-OD1 2.94Å; R92-D131 IonicContact NE-OD2 3.74Å; R92-D131 PolarHBondContact NE-OD2 3.25Å; R92-D131 IonicContact NH2-OD1 2.92Å; R92-D131 PolarHBondContact NH2-OD1 2.98Å; R92-D131 IonicContact NH2-OD2 3.5Å; R92-D131 PolarHBondContact NH2-OD2 3.01Å; M106-D131 CarbonylContact C-O 3.47Å; M106-D131 WeakPolarHBondContact CA-O 3.38Å; F107-D131 WeakPolarHBondContact CE2-OD2 3.22Å; F107-D131 PolarHBondContact N-O 3.27Å; H129-D131 WeakPolarHBondContact CB-OD1 3.29Å; H129-D131 PolarHBondContact O-N 2.93Å
132	L	98.8	Very high	97.4	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128	170.8	-51.3	-173.4	0	0	0	110.5	F107 L122 E125 Q126 L134	F107-L132 HydrophobicContact CB-CD2 3.72Å; F107-L132 HydrophobicContact CD2-CD2 4.29Å; F107-L132 HydrophobicContact CG-CD2 4.39Å; F107-L132 WeakPolarHBondContact O-CA 3.42Å; L122-L132 HydrophobicContact CB-CD1 4.42Å; L122-L132 HydrophobicContact CD2-CD1 3.98Å; E125-L132 HydrophobicContact CB-CD1 4.22Å; E125-L132 HydrophobicContact CG-CD1 4.24Å; Q126-L132 HydrophobicContact CB-CD1 4.14Å; Q126-L132 HydrophobicContact CB-CG 4.41Å; Q126-L132 PolarHBondContact NE2-O 3.44Å; L132-L134 HydrophobicContact CB-CD2 3.81Å; L132-L134 HydrophobicContact CB-CG 4.16Å; L132-L134 HydrophobicContact CD1-CD2 4.07Å
133	L	98.7	Very high	97.1	Very high	10 Å²	10	68.7 Å²	68.7	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	99.1	161.6	175.4	57.2	0	0	0	108.1	M106 F107 V108 V109 L135 M152 W155	M106-L133 HydrophobicContact CB-CB 4.37Å; M106-L133 HydrophobicContact CE-CD2 4.37Å; M106-L133 HydrophobicContact SD-CB 4.29Å; F107-L133 PolarHBondContact O-N 2.62Å; V108-L133 WeakPolarHBondContact CA-O 3.5Å; V108-L133 HydrophobicContact CG1-CD2 4.35Å; V108-L133 HydrophobicContact CG1-CG 4.49Å; V108-L133 HydrophobicContact CG2-CB 4.34Å; V108-L133 HydrophobicContact CG2-CD2 4.12Å; V109-L133 PolarHBondContact N-O 2.97Å; L133-L135 HydrophobicContact CD1-CD2 4.32Å; L133-L135 HydrophobicContact CD2-CD2 4.5Å; L133-L135 HydrophobicContact CG-CD2 4.1Å; L133-M152 HydrophobicContact CD2-CB 4.14Å; L133-W155 HydrophobicContact CD1-CB 4.39Å; L133-W155 HydrophobicContact CD1-CD2 3.61Å; L133-W155 HydrophobicContact CD1-CE3 4.31Å; L133-W155 HydrophobicContact CD1-CG 3.62Å; L133-W155 HydrophobicContact CD1-CZ2 4.37Å; L133-W155 HydrophobicContact CD2-CB 4.31Å; L133-W155 HydrophobicContact CD2-CD2 3.94Å; L133-W155 HydrophobicContact CD2-CE3 3.9Å; L133-W155 HydrophobicContact CD2-CG 4.13Å; L133-W155 HydrophobicContact CG-CD2 4.45Å
134	L	98.6	Very high	97	Very high	50 Å²	50	66 Å²	66	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.6	-179.7	-56.8	-177.6	0	0	0	110.4	V109 T111 L122 L132 P136	V109-L134 HydrophobicContact CB-CD2 4.07Å; V109-L134 WeakPolarHBondContact O-CA 3.41Å; T111-L134 HydrophobicContact CG2-CB 3.98Å; T111-L134 HydrophobicContact CG2-CD1 4.49Å; T111-L134 HydrophobicContact CG2-CD2 3.87Å; T111-L134 HydrophobicContact CG2-CG 4.32Å; L122-L134 HydrophobicContact CD1-CD2 4.41Å; L132-L134 HydrophobicContact CB-CD2 3.81Å; L132-L134 HydrophobicContact CB-CG 4.16Å; L132-L134 HydrophobicContact CD1-CD2 4.07Å; L134-P136 WeakPolarHBondContact O-CD 3.39Å
135	L	98.5	Very high	96.9	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	94.6	-178.4	-56.9	178.5	0	0	0	109.6	V108 V109 T111 L133 D137 L138 K148 H151	V108-L135 HydrophobicContact CG1-CD1 3.56Å; V108-L135 HydrophobicContact CG1-CG 4.14Å; V109-L135 PolarHBondContact O-N 3.29Å; T111-L135 PolarHBondContact N-O 2.97Å; T111-L135 PolarHBondContact OG1-O 3.32Å; L133-L135 HydrophobicContact CD1-CD2 4.32Å; L133-L135 HydrophobicContact CD2-CD2 4.5Å; L133-L135 HydrophobicContact CG-CD2 4.1Å; L135-D137 VanDerWaalsContact C-N 3.28Å; L135-D137 PolarHBondContact O-N 3.42Å; L135-L138 HydrophobicContact CB-CB 3.91Å; L135-L138 HydrophobicContact CB-CD2 4.26Å; L135-L138 HydrophobicContact CD1-CD2 3.63Å; L135-L138 PolarHBondContact O-N 2.98Å; L135-K148 HydrophobicContact CD1-CG 4.03Å; L135-H151 HydrophobicContact CD1-CB 3.69Å; L135-H151 HydrophobicContact CD2-CB 4.07Å; L135-H151 HydrophobicContact CG-CB 4.41Å
136	P	97.1	Very high	96.9	Very high	83 Å²	83	65 Å²	65	54%	0.539	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.5	-172.3	25.8	-34.6	0	0	0	114.5	T111 Q112 L134	T111-P136 VanDerWaalsContact OG1-CA 3.25Å; T111-P136 WeakPolarHBondContact OG1-CA 3.48Å; Q112-P136 WeakPolarHBondContact CA-O 3.39Å; Q112-P136 VanDerWaalsContact CB-O 3.26Å; Q112-P136 WeakPolarHBondContact CB-O 3.27Å; L134-P136 WeakPolarHBondContact O-CD 3.39Å
137	D	96.6	Very high	96.8	Very high	117 Å²	117	65.5 Å²	65.5	63%	0.626	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	20.6	-177.1	-54.1	-54.7	0	0	0	113	Q112 L135	Q112-D137 PolarHBondContact OE1-O 3.47Å; Q112-D137 VanDerWaalsContact OE1-O 3.08Å; L135-D137 VanDerWaalsContact C-N 3.28Å; L135-D137 PolarHBondContact O-N 3.42Å
138	L	98.1	Very high	96.9	Very high	3 Å²	3	63 Å²	63	2%	0.016	30%	0.299	C	S	.	.			trans	-126.8	123.9	-179.5	-177.8	76.7	0	0	0	112.2	G110 T111 Q112 L135 N144 L147 K148	G110-L138 CarbonylContact C-O 3.46Å; G110-L138 VanDerWaalsContact CA-O 3.28Å; G110-L138 WeakPolarHBondContact CA-O 3.43Å; T111-L138 PolarHBondContact N-O 3.37Å; Q112-L138 VanDerWaalsContact CB-O 3.26Å; Q112-L138 WeakPolarHBondContact CB-O 3.21Å; Q112-L138 PolarHBondContact N-O 3.06Å; L135-L138 HydrophobicContact CB-CB 3.91Å; L135-L138 HydrophobicContact CB-CD2 4.26Å; L135-L138 HydrophobicContact CD1-CD2 3.63Å; L135-L138 PolarHBondContact O-N 2.98Å; L138-N144 HydrophobicContact CD1-CB 4.26Å; L138-L147 HydrophobicContact CD1-CB 3.68Å; L138-K148 HydrophobicContact CD2-CB 3.6Å; L138-K148 HydrophobicContact CD2-CD 4.37Å; L138-K148 HydrophobicContact CD2-CG 3.71Å
139	W	97.6	Very high	96.9	Very high	145 Å²	145	54 Å²	54	55%	0.549	27%	0.265	S	S	.	.			trans	-77.7	121.7	165.8	-67.4	83.7	0	0	0	110.3	Q112 S141 N144	Q112-W139 HydrophobicContact CB-CD2 4.35Å; Q112-W139 HydrophobicContact CB-CG 4.14Å; Q112-W139 HydrophobicContact CG-CD2 4.39Å; Q112-W139 HydrophobicContact CG-CG 4.38Å; Q112-W139 HydrophobicContact CG-CZ2 4.38Å; W139-S141 PolarHBondContact O-N 3.2Å; W139-N144 WeakPolarHBondContact O-CB 3.24Å; W139-N144 PolarHBondContact O-ND2 3.38Å
140	D	95.8	Very high	96.9	Very high	47 Å²	47	50.6 Å²	50.6	25%	0.251	25%	0.25	S	S	.	.			trans	-77.7	109.4	-178.5	-143.6	-44.6	0	0	0	111.5	G110 K148	G110-D140 PolarHBondContact N-OD2 3.14Å; D140-K148 IonicContact OD1-NZ 2.76Å; D140-K148 PolarHBondContact OD1-NZ 2.98Å; D140-K148 WeakPolarHBondContact OD2-CE 3.45Å; D140-K148 IonicContact OD2-NZ 2.76Å; D140-K148 PolarHBondContact OD2-NZ 3.39Å
141	S	94.1	Very high	97	Very high	39 Å²	39	45.8 Å²	45.8	27%	0.273	23%	0.23	S	C	.	.	S	Bend	trans	-153.3	167.6	174.5	87.6	0	0	0	0	110.6	W139 E143 N144	W139-S141 PolarHBondContact O-N 3.2Å; S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 VanDerWaalsContact CB-OE2 3.28Å; S141-E143 WeakPolarHBondContact CB-OE2 3.21Å; S141-E143 PolarHBondContact O-N 3.31Å; S141-E143 PolarHBondContact OG-N 2.86Å; S141-E143 PolarHBondContact OG-OE2 3.11Å; S141-N144 PolarHBondContact O-N 3.44Å; S141-N144 PolarHBondContact OG-N 3.36Å
142	Y	89.6	Confident	97	Very high	68 Å²	68	44.5 Å²	44.5	27%	0.267	22%	0.223	S	C	.	.	S	Bend	trans	-62.2	-40.4	175.9	177.2	-99.1	0	0	0	111.4	N144 L145 K207 W208	Y142-N144 PolarHBondContact O-N 3.27Å; Y142-L145 HydrophobicContact CD2-CD1 3.52Å; Y142-L145 HydrophobicContact CD2-CG 4.49Å; Y142-L145 HydrophobicContact CE2-CD1 3.56Å; Y142-L145 HydrophobicContact CG-CD1 4.43Å; Y142-L145 WeakPolarHBondContact O-CB 3.49Å; Y142-L145 VanDerWaalsContact O-CG 3.28Å; Y142-L145 WeakPolarHBondContact O-CG 3.46Å; Y142-L145 PolarHBondContact O-N 2.7Å; Y142-K207 WeakPolarHBondContact CE1-O 3.4Å; Y142-W208 HydrophobicContact CD2-CZ3 4.46Å; Y142-W208 HydrophobicContact CE1-CE3 4.06Å; Y142-W208 HydrophobicContact CE1-CZ3 4.17Å; Y142-W208 HydrophobicContact CE2-CE3 4.08Å; Y142-W208 HydrophobicContact CE2-CH2 4.07Å; Y142-W208 AromaticContact CE2-CZ3 3.36Å; Y142-W208 HydrophobicContact CE2-CZ3 3.36Å; Y142-W208 AromaticContact CZ-CE3 3.42Å; Y142-W208 VanDerWaalsContact CZ-CE3 3.42Å; Y142-W208 AromaticContact CZ-CZ3 3.21Å; Y142-W208 WeakPolarHBondContact OH-CZ3 3.4Å
143	E	91.6	Very high	97	Very high	109 Å²	109	44.1 Å²	44.1	51%	0.509	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.5	-179.9	-57.6	74.2	-162.3	0	0	112.7	S141	S141-E143 VanDerWaalsContact C-N 3.3Å; S141-E143 VanDerWaalsContact CB-OE2 3.28Å; S141-E143 WeakPolarHBondContact CB-OE2 3.21Å; S141-E143 PolarHBondContact O-N 3.31Å; S141-E143 PolarHBondContact OG-N 2.86Å; S141-E143 PolarHBondContact OG-OE2 3.11Å
144	N	96.1	Very high	96.9	Very high	43 Å²	43	45.3 Å²	45.3	23%	0.23	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.5	-179.2	-72.5	-18.7	0	0	0	113.6	L138 W139 S141 Y142 T146 L147 K148	L138-N144 HydrophobicContact CD1-CB 4.26Å; W139-N144 WeakPolarHBondContact O-CB 3.24Å; W139-N144 PolarHBondContact O-ND2 3.38Å; S141-N144 PolarHBondContact O-N 3.44Å; S141-N144 PolarHBondContact OG-N 3.36Å; Y142-N144 PolarHBondContact O-N 3.27Å; N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 PolarHBondContact O-N 3.17Å; N144-L147 PolarHBondContact O-N 2.78Å; N144-L147 VanDerWaalsContact O-N 3.12Å; N144-K148 PolarHBondContact O-N 3.03Å
145	L	96.3	Very high	96.9	Very high	41 Å²	41	46 Å²	46	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-39.1	178.3	-74.5	176.1	0	0	0	112.7	Y142 L147 K148 L149 E251	Y142-L145 HydrophobicContact CD2-CD1 3.52Å; Y142-L145 HydrophobicContact CD2-CG 4.49Å; Y142-L145 HydrophobicContact CE2-CD1 3.56Å; Y142-L145 HydrophobicContact CG-CD1 4.43Å; Y142-L145 WeakPolarHBondContact O-CB 3.49Å; Y142-L145 VanDerWaalsContact O-CG 3.28Å; Y142-L145 WeakPolarHBondContact O-CG 3.46Å; Y142-L145 PolarHBondContact O-N 2.7Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L145-L147 PolarHBondContact O-N 3.08Å; L145-K148 WeakPolarHBondContact O-CB 3.36Å; L145-K148 PolarHBondContact O-N 2.81Å; L145-L149 PolarHBondContact O-N 3.24Å; L145-E251 HydrophobicContact CB-CB 4.07Å
146	T	97.8	Very high	96.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-38.2	176.3	-56.3	0	0	0	0	112	N144 L149 L150 T247 W248 Q249 E251 W258	N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 PolarHBondContact O-N 3.17Å; T146-L149 WeakPolarHBondContact O-CB 3.49Å; T146-L149 PolarHBondContact O-N 3.03Å; T146-L150 PolarHBondContact O-N 3.46Å; T146-T247 HydrophobicContact CG2-CG2 4.09Å; T146-W248 VanDerWaalsContact CB-O 3.23Å; T146-W248 WeakPolarHBondContact CB-O 3.49Å; T146-W248 PolarHBondContact OG1-O 2.81Å; T146-Q249 PolarHBondContact OG1-O 3.29Å; T146-E251 VanDerWaalsContact OG1-CA 3.28Å; T146-E251 WeakPolarHBondContact OG1-CA 3.43Å; T146-E251 PolarHBondContact OG1-N 3.46Å; T146-W258 HydrophobicContact CG2-CH2 3.55Å; T146-W258 HydrophobicContact CG2-CZ2 3.76Å
147	L	98.2	Very high	97	Very high	67 Å²	67	42 Å²	42	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-67.2	-41.3	172.8	-65.8	178.5	0	0	0	110.7	L138 N144 L145 L149 L150 H151 T247	L138-L147 HydrophobicContact CD1-CB 3.68Å; N144-L147 PolarHBondContact O-N 2.78Å; N144-L147 VanDerWaalsContact O-N 3.12Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L145-L147 PolarHBondContact O-N 3.08Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.21Å; L147-L150 HydrophobicContact CD2-CD1 4.4Å; L147-L150 PolarHBondContact O-N 2.93Å; L147-L150 VanDerWaalsContact O-N 3.13Å; L147-H151 PolarHBondContact O-CD2 2.94Å; L147-H151 PolarHBondContact O-N 3.34Å; L147-T247 HydrophobicContact CD2-CG2 4.3Å
148	K	98.6	Very high	97	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-55.2	-44	174.1	-169.1	175.3	-78.2	-175.9	0	111.9	T79 T80 V108 L135 L138 D140 N144 L145 H151 M152	T79-K148 HydrophobicContact CG2-CD 4.11Å; T80-K148 PolarHBondContact O-NZ 3.4Å; V108-K148 HydrophobicContact CG1-CD 4.13Å; V108-K148 HydrophobicContact CG1-CG 3.88Å; L135-K148 HydrophobicContact CD1-CG 4.03Å; L138-K148 HydrophobicContact CD2-CB 3.6Å; L138-K148 HydrophobicContact CD2-CD 4.37Å; L138-K148 HydrophobicContact CD2-CG 3.71Å; D140-K148 IonicContact OD1-NZ 2.76Å; D140-K148 PolarHBondContact OD1-NZ 2.98Å; D140-K148 WeakPolarHBondContact OD2-CE 3.45Å; D140-K148 IonicContact OD2-NZ 2.76Å; D140-K148 PolarHBondContact OD2-NZ 3.39Å; N144-K148 PolarHBondContact O-N 3.03Å; L145-K148 WeakPolarHBondContact O-CB 3.36Å; L145-K148 PolarHBondContact O-N 2.81Å; K148-H151 PolarHBondContact O-N 2.99Å; K148-M152 WeakPolarHBondContact O-CB 3.25Å; K148-M152 WeakPolarHBondContact O-CG 3.29Å; K148-M152 PolarHBondContact O-N 3.31Å
149	L	98.6	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-50.2	174.6	178.3	78.1	0	0	0	111.8	L145 T146 L147 H151 M152 Y153 Y228 E251 L255 W258	L145-L149 PolarHBondContact O-N 3.24Å; T146-L149 WeakPolarHBondContact O-CB 3.49Å; T146-L149 PolarHBondContact O-N 3.03Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.21Å; L149-H151 PolarHBondContact O-N 3.48Å; L149-M152 HydrophobicContact CB-CE 4.38Å; L149-M152 HydrophobicContact CD1-CE 3.36Å; L149-M152 HydrophobicContact CG-CE 4.39Å; L149-M152 VanDerWaalsContact O-CG 3.29Å; L149-M152 WeakPolarHBondContact O-CG 3.35Å; L149-M152 PolarHBondContact O-N 2.84Å; L149-Y153 HydrophobicContact CD1-CD1 4.33Å; L149-Y153 HydrophobicContact CD1-CD2 4.06Å; L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CD1-CE2 3.53Å; L149-Y153 HydrophobicContact CD1-CG 4.43Å; L149-Y153 VanDerWaalsContact CD1-CZ 3.4Å; L149-Y153 HydrophobicContact CD2-CE2 4.46Å; L149-Y153 HydrophobicContact CG-CD2 4.18Å; L149-Y153 HydrophobicContact CG-CE2 4.04Å; L149-Y153 WeakPolarHBondContact O-CB 3.47Å; L149-Y153 PolarHBondContact O-N 3.46Å; L149-Y228 WeakPolarHBondContact CD1-OH 3.49Å; L149-E251 HydrophobicContact CB-CG 3.59Å; L149-E251 HydrophobicContact CD1-CG 4.23Å; L149-E251 WeakPolarHBondContact CD1-OE1 3.26Å; L149-E251 HydrophobicContact CD2-CG 3.79Å; L149-E251 WeakPolarHBondContact CD2-OE1 3.47Å; L149-E251 HydrophobicContact CG-CG 4.04Å; L149-L255 HydrophobicContact CD2-CB 4.17Å; L149-W258 HydrophobicContact CD2-CH2 4.3Å; L149-W258 HydrophobicContact CD2-CZ3 3.66Å
150	L	98.6	Very high	97	Very high	21 Å²	21	36.5 Å²	36.5	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-45.7	179.4	-69.3	175.8	0	0	0	111.8	T146 L147 Y153 S154 V238 A242 L245 T247 W258	T146-L150 PolarHBondContact O-N 3.46Å; L147-L150 HydrophobicContact CD2-CD1 4.4Å; L147-L150 PolarHBondContact O-N 2.93Å; L147-L150 VanDerWaalsContact O-N 3.13Å; L150-Y153 PolarHBondContact O-N 3.43Å; L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 2.89Å; L150-V238 HydrophobicContact CD2-CG1 3.7Å; L150-A242 HydrophobicContact CD2-CB 4.1Å; L150-L245 HydrophobicContact CD2-CD1 4.37Å; L150-T247 HydrophobicContact CD1-CG2 3.94Å; L150-W258 HydrophobicContact CD1-CH2 4.19Å; L150-W258 HydrophobicContact CD2-CH2 3.59Å; L150-W258 HydrophobicContact CD2-CZ2 4.48Å; L150-W258 HydrophobicContact CD2-CZ3 3.67Å; L150-W258 HydrophobicContact CG-CH2 3.85Å; L150-W258 HydrophobicContact CG-CZ3 4.31Å
151	H	98.6	Very high	97.1	Very high	68 Å²	68	38 Å²	38	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-45.4	178.5	-83.6	-105.5	0	0	0	112.1	L135 L147 K148 L149 S154 W155	L135-H151 HydrophobicContact CD1-CB 3.69Å; L135-H151 HydrophobicContact CD2-CB 4.07Å; L135-H151 HydrophobicContact CG-CB 4.41Å; L147-H151 PolarHBondContact O-CD2 2.94Å; L147-H151 PolarHBondContact O-N 3.34Å; K148-H151 PolarHBondContact O-N 2.99Å; L149-H151 PolarHBondContact O-N 3.48Å; H151-S154 PolarHBondContact O-N 3.43Å; H151-W155 PolarHBondContact O-N 2.91Å
152	M	98.3	Very high	97.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-33.5	-179	74.3	179.8	-174.8	0	0	112.6	L77 T79 V108 L133 K148 L149 L156 K167	L77-M152 HydrophobicContact CB-SD 4.04Å; L77-M152 HydrophobicContact CD1-CB 4.07Å; L77-M152 HydrophobicContact CD1-CE 4.37Å; L77-M152 HydrophobicContact CD1-CG 3.83Å; L77-M152 HydrophobicContact CD1-SD 3.79Å; T79-M152 HydrophobicContact CG2-CE 4.1Å; T79-M152 HydrophobicContact CG2-SD 3.95Å; V108-M152 HydrophobicContact CB-SD 4.43Å; V108-M152 HydrophobicContact CG1-CB 3.9Å; V108-M152 HydrophobicContact CG1-SD 4.33Å; V108-M152 HydrophobicContact CG2-CB 4.22Å; V108-M152 HydrophobicContact CG2-SD 3.94Å; L133-M152 HydrophobicContact CD2-CB 4.14Å; K148-M152 WeakPolarHBondContact O-CB 3.25Å; K148-M152 WeakPolarHBondContact O-CG 3.29Å; K148-M152 PolarHBondContact O-N 3.31Å; L149-M152 HydrophobicContact CB-CE 4.38Å; L149-M152 HydrophobicContact CD1-CE 3.36Å; L149-M152 HydrophobicContact CG-CE 4.39Å; L149-M152 VanDerWaalsContact O-CG 3.29Å; L149-M152 WeakPolarHBondContact O-CG 3.35Å; L149-M152 PolarHBondContact O-N 2.84Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 3.25Å; M152-K167 HydrophobicContact CE-CG 3.72Å
153	Y	98.8	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.7	-36	174.4	-77.8	3	0	0	0	112.9	L77 L149 L150 L156 D157 V165 Y228 L230 V235 V238 L255	L77-Y153 HydrophobicContact CD1-CD1 4.37Å; L77-Y153 HydrophobicContact CD1-CE1 4.39Å; L149-Y153 HydrophobicContact CD1-CD1 4.33Å; L149-Y153 HydrophobicContact CD1-CD2 4.06Å; L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CD1-CE2 3.53Å; L149-Y153 HydrophobicContact CD1-CG 4.43Å; L149-Y153 VanDerWaalsContact CD1-CZ 3.4Å; L149-Y153 HydrophobicContact CD2-CE2 4.46Å; L149-Y153 HydrophobicContact CG-CD2 4.18Å; L149-Y153 HydrophobicContact CG-CE2 4.04Å; L149-Y153 WeakPolarHBondContact O-CB 3.47Å; L149-Y153 PolarHBondContact O-N 3.46Å; L150-Y153 PolarHBondContact O-N 3.43Å; Y153-L156 PolarHBondContact O-N 3.04Å; Y153-D157 PolarHBondContact O-N 2.89Å; Y153-V165 HydrophobicContact CE1-CG1 4.26Å; Y153-Y228 WeakPolarHBondContact OH-CE2 3.25Å; Y153-L230 HydrophobicContact CE2-CD1 3.65Å; Y153-L230 WeakPolarHBondContact OH-CD1 3.37Å; Y153-V235 HydrophobicContact CD1-CG1 4Å; Y153-V235 HydrophobicContact CD2-CG1 4.19Å; Y153-V235 HydrophobicContact CE1-CG2 4.4Å; Y153-V235 HydrophobicContact CE2-CG2 4.45Å; Y153-V235 HydrophobicContact CG-CG1 3.74Å; Y153-V238 HydrophobicContact CD2-CB 4.14Å; Y153-V238 HydrophobicContact CD2-CG1 3.97Å; Y153-L255 HydrophobicContact CE2-CD1 4.41Å
154	S	98.3	Very high	98.1	Very high	35 Å²	35	32.2 Å²	32.2	25%	0.245	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-52.1	171.3	-179.3	0	0	0	0	111.2	L150 H151 L156 D157 Q158 H239	L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 2.89Å; H151-S154 PolarHBondContact O-N 3.43Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 3.23Å; S154-D157 PolarHBondContact O-N 3.34Å; S154-Q158 WeakPolarHBondContact O-CB 3.46Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.24Å; S154-Q158 PolarHBondContact O-N 2.76Å; S154-Q158 VanDerWaalsContact O-N 3.14Å; S154-Q158 PolarHBondContact OG-NE2 3.43Å; S154-H239 PolarHBondContact OG-CD2 2.94Å
155	W	98.3	Very high	98.2	Very high	64 Å²	64	30.2 Å²	30.2	24%	0.242	15%	0.149	C	C	.	.	H	α-helix	trans	-57.7	-44.6	174.9	-178.2	92	0	0	0	111.2	L70 M106 L133 H151 Q158 N159 V160	L70-W155 HydrophobicContact CD1-CH2 3.95Å; L70-W155 HydrophobicContact CD1-CZ2 4.4Å; M106-W155 HydrophobicContact CE-CE3 3.75Å; M106-W155 HydrophobicContact CE-CH2 3.28Å; M106-W155 HydrophobicContact CE-CZ2 4.28Å; M106-W155 HydrophobicContact CE-CZ3 2.98Å; M106-W155 HydrophobicContact SD-CH2 3.59Å; M106-W155 VanDerWaalsContact SD-CH2 3.59Å; M106-W155 HydrophobicContact SD-CZ2 4.23Å; M106-W155 HydrophobicContact SD-CZ3 3.96Å; L133-W155 HydrophobicContact CD1-CB 4.39Å; L133-W155 HydrophobicContact CD1-CD2 3.61Å; L133-W155 HydrophobicContact CD1-CE3 4.31Å; L133-W155 HydrophobicContact CD1-CG 3.62Å; L133-W155 HydrophobicContact CD1-CZ2 4.37Å; L133-W155 HydrophobicContact CD2-CB 4.31Å; L133-W155 HydrophobicContact CD2-CD2 3.94Å; L133-W155 HydrophobicContact CD2-CE3 3.9Å; L133-W155 HydrophobicContact CD2-CG 4.13Å; L133-W155 HydrophobicContact CG-CD2 4.45Å; H151-W155 PolarHBondContact O-N 2.91Å; W155-Q158 PolarHBondContact O-N 2.8Å; W155-N159 HydrophobicContact CD2-CB 4.26Å; W155-N159 HydrophobicContact CH2-CB 4.27Å; W155-N159 HydrophobicContact CZ2-CB 4.02Å; W155-N159 HydrophobicContact CZ3-CB 4.48Å; W155-N159 WeakPolarHBondContact O-CB 3.49Å; W155-N159 PolarHBondContact O-N 3.35Å; W155-N159 PolarHBondContact O-ND2 3.47Å; W155-V160 HydrophobicContact CE3-CG2 4.45Å; W155-V160 HydrophobicContact CH2-CG2 3.71Å; W155-V160 HydrophobicContact CZ3-CG2 3.46Å; W155-V160 VanDerWaalsContact CZ3-CG2 3.46Å
156	L	98.3	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-47.5	-175.6	-176.2	61.3	0	0	0	112.7	V75 L77 M152 Y153 S154 Q158 N159 V160 F162 V165 V235	V75-L156 HydrophobicContact CB-CD1 4.21Å; V75-L156 HydrophobicContact CG1-CD1 3.78Å; V75-L156 HydrophobicContact CG1-CD2 4.36Å; V75-L156 HydrophobicContact CG2-CD1 3.99Å; L77-L156 HydrophobicContact CD1-CD2 4.03Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 3.25Å; Y153-L156 PolarHBondContact O-N 3.04Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 3.23Å; L156-Q158 VanDerWaalsContact C-N 3.26Å; L156-Q158 PolarHBondContact O-N 3.15Å; L156-N159 PolarHBondContact O-N 2.81Å; L156-V160 HydrophobicContact CD1-CB 3.76Å; L156-V160 HydrophobicContact CD1-CG1 4.43Å; L156-V160 HydrophobicContact CD1-CG2 3.64Å; L156-V160 PolarHBondContact O-N 3.05Å; L156-V160 VanDerWaalsContact O-N 3.09Å; L156-F162 HydrophobicContact CD1-CD1 3.94Å; L156-F162 HydrophobicContact CD1-CE1 3.96Å; L156-F162 HydrophobicContact CD1-CG 4.48Å; L156-F162 HydrophobicContact CD1-CZ 4.42Å; L156-F162 HydrophobicContact CD2-CD1 4.39Å; L156-F162 HydrophobicContact CD2-CD2 4.34Å; L156-F162 HydrophobicContact CD2-CE1 3.86Å; L156-F162 HydrophobicContact CD2-CE2 3.73Å; L156-F162 HydrophobicContact CD2-CZ 3.48Å; L156-F162 VanDerWaalsContact CD2-CZ 3.48Å; L156-F162 HydrophobicContact CG-CD1 3.94Å; L156-F162 HydrophobicContact CG-CE1 3.42Å; L156-F162 VanDerWaalsContact CG-CE1 3.42Å; L156-F162 HydrophobicContact CG-CE2 4.25Å; L156-F162 HydrophobicContact CG-CZ 3.59Å; L156-V165 HydrophobicContact CD2-CB 3.83Å; L156-V165 HydrophobicContact CD2-CG1 4.33Å; L156-V165 HydrophobicContact CD2-CG2 3.72Å; L156-V235 HydrophobicContact CD2-CG1 4.23Å
157	D	98.2	Very high	98.4	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-28.8	177.9	-177.4	49.7	0	0	0	112.4	K68 Y153 S154 R236 H239	K68-D157 WeakPolarHBondContact CE-O 3.3Å; K68-D157 PolarHBondContact NZ-O 3.3Å; K68-D157 IonicContact NZ-OD1 3.9Å; Y153-D157 PolarHBondContact O-N 2.89Å; S154-D157 PolarHBondContact O-N 3.34Å; D157-R236 WeakPolarHBondContact OD1-CB 3.3Å; D157-R236 IonicContact OD1-NH1 3.08Å; D157-R236 PolarHBondContact OD1-NH1 2.88Å; D157-R236 IonicContact OD2-NH1 2.71Å; D157-R236 PolarHBondContact OD2-NH1 3.11Å; D157-R236 VanDerWaalsContact OD2-NH1 3.08Å; D157-H239 HydrophobicContact CB-CB 4.16Å; D157-H239 IonicContact OD2-CE1 3.25Å; D157-H239 IonicContact OD2-CG 2.71Å; D157-H239 IonicContact OD2-ND1 2.95Å; D157-H239 PolarHBondContact OD2-ND1 2.72Å
158	Q	97.3	Very high	98.4	Very high	100 Å²	100	25.2 Å²	25.2	47%	0.467	12%	0.122	S	C	.	.	H	α-helix	trans	-81.4	-34.4	179	-68.3	173.4	27.1	0	0	113.1	S154 W155 L156 H239	S154-Q158 WeakPolarHBondContact O-CB 3.46Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.24Å; S154-Q158 PolarHBondContact O-N 2.76Å; S154-Q158 VanDerWaalsContact O-N 3.14Å; S154-Q158 PolarHBondContact OG-NE2 3.43Å; W155-Q158 PolarHBondContact O-N 2.8Å; L156-Q158 VanDerWaalsContact C-N 3.26Å; L156-Q158 PolarHBondContact O-N 3.15Å; Q158-H239 PolarHBondContact NE2-NE2 3.24Å
159	N	97.9	Very high	98.4	Very high	50 Å²	50	26.5 Å²	26.5	27%	0.267	13%	0.129	S	C	.	.	H	α-helix	trans	-110.7	-18.8	-165.1	-64.6	-87.6	0	0	0	114.9	L70 W155 L156	L70-N159 PolarHBondContact N-O 2.98Å; W155-N159 HydrophobicContact CD2-CB 4.26Å; W155-N159 HydrophobicContact CH2-CB 4.27Å; W155-N159 HydrophobicContact CZ2-CB 4.02Å; W155-N159 HydrophobicContact CZ3-CB 4.48Å; W155-N159 WeakPolarHBondContact O-CB 3.49Å; W155-N159 PolarHBondContact O-N 3.35Å; W155-N159 PolarHBondContact O-ND2 3.47Å; L156-N159 PolarHBondContact O-N 2.81Å
160	V	98.3	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.1	-173.5	-165.4	0	0	0	0	111.8	K68 L70 V75 L104 W155 L156 F162	K68-V160 WeakPolarHBondContact CD-O 3.49Å; K68-V160 PolarHBondContact NZ-O 3.14Å; L70-V160 HydrophobicContact CB-CB 4.33Å; L70-V160 HydrophobicContact CB-CG1 4.04Å; L70-V160 HydrophobicContact CB-CG2 4.03Å; L70-V160 HydrophobicContact CD1-CG2 4.14Å; L70-V160 CarbonylContact O-C 3.19Å; L70-V160 WeakPolarHBondContact O-CA 3.28Å; V75-V160 HydrophobicContact CG2-CG1 4.07Å; L104-V160 HydrophobicContact CD2-CG1 4.07Å; L104-V160 HydrophobicContact CD2-CG2 3.98Å; W155-V160 HydrophobicContact CE3-CG2 4.45Å; W155-V160 HydrophobicContact CH2-CG2 3.71Å; W155-V160 HydrophobicContact CZ3-CG2 3.46Å; W155-V160 VanDerWaalsContact CZ3-CG2 3.46Å; L156-V160 HydrophobicContact CD1-CB 3.76Å; L156-V160 HydrophobicContact CD1-CG1 4.43Å; L156-V160 HydrophobicContact CD1-CG2 3.64Å; L156-V160 PolarHBondContact O-N 3.05Å; L156-V160 VanDerWaalsContact O-N 3.09Å; V160-F162 HydrophobicContact CB-CD1 4.08Å; V160-F162 HydrophobicContact CG1-CB 4.14Å; V160-F162 HydrophobicContact CG1-CD1 4.28Å; V160-F162 VanDerWaalsContact O-CD1 3.3Å; V160-F162 WeakPolarHBondContact O-CD1 3.3Å
161	D	97.8	Very high	98.4	Very high	79 Å²	79	26.7 Å²	26.7	42%	0.422	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	104.8	163.5	-179.2	22.8	0	0	0	109.4	K68 L70 S71 A72	K68-D161 HydrophobicContact CD-CB 4.28Å; L70-D161 PolarHBondContact O-N 3.49Å; S71-D161 VanDerWaalsContact CA-O 3.23Å; S71-D161 WeakPolarHBondContact CA-O 3.5Å; S71-D161 PolarHBondContact OG-O 2.92Å; A72-D161 PolarHBondContact N-O 3.03Å
162	F	98.5	Very high	98.4	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.2	-175.2	68.4	-75	0	0	0	113.4	A72 V75 L156 V160 F164 V165 S232 V235	A72-F162 WeakPolarHBondContact O-CA 3.39Å; A72-F162 WeakPolarHBondContact O-CB 3.26Å; V75-F162 HydrophobicContact CG2-CB 3.6Å; V75-F162 HydrophobicContact CG2-CD2 4.28Å; V75-F162 HydrophobicContact CG2-CG 3.89Å; L156-F162 HydrophobicContact CD1-CD1 3.94Å; L156-F162 HydrophobicContact CD1-CE1 3.96Å; L156-F162 HydrophobicContact CD1-CG 4.48Å; L156-F162 HydrophobicContact CD1-CZ 4.42Å; L156-F162 HydrophobicContact CD2-CD1 4.39Å; L156-F162 HydrophobicContact CD2-CD2 4.34Å; L156-F162 HydrophobicContact CD2-CE1 3.86Å; L156-F162 HydrophobicContact CD2-CE2 3.73Å; L156-F162 HydrophobicContact CD2-CZ 3.48Å; L156-F162 VanDerWaalsContact CD2-CZ 3.48Å; L156-F162 HydrophobicContact CG-CD1 3.94Å; L156-F162 HydrophobicContact CG-CE1 3.42Å; L156-F162 VanDerWaalsContact CG-CE1 3.42Å; L156-F162 HydrophobicContact CG-CE2 4.25Å; L156-F162 HydrophobicContact CG-CZ 3.59Å; V160-F162 HydrophobicContact CB-CD1 4.08Å; V160-F162 HydrophobicContact CG1-CB 4.14Å; V160-F162 HydrophobicContact CG1-CD1 4.28Å; V160-F162 VanDerWaalsContact O-CD1 3.3Å; V160-F162 WeakPolarHBondContact O-CD1 3.3Å; F162-F164 WeakPolarHBondContact CD2-O 3.42Å; F162-V165 HydrophobicContact CD2-CB 4.43Å; F162-V165 HydrophobicContact CE2-CB 4.04Å; F162-V165 HydrophobicContact CE2-CG1 4.3Å; F162-S232 VanDerWaalsContact CE2-CB 3.44Å; F162-S232 WeakPolarHBondContact O-CB 3.38Å; F162-S232 PolarHBondContact O-OG 3Å; F162-V235 HydrophobicContact CE2-CB 4.45Å; F162-V235 HydrophobicContact CE2-CG2 4.05Å; F162-V235 HydrophobicContact CZ-CB 3.89Å; F162-V235 HydrophobicContact CZ-CG1 3.93Å; F162-V235 HydrophobicContact CZ-CG2 3.97Å
163	K	98.7	Very high	98.4	Very high	92 Å²	92	23.6 Å²	23.6	40%	0.4	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-44.7	175.9	-55.3	-53	180	-160.9	0	112	F73 P188 S231 S232	F73-K163 HydrophobicContact CD2-CB 4.31Å; F73-K163 HydrophobicContact CD2-CG 4.13Å; F73-K163 HydrophobicContact CE2-CB 4.49Å; F73-K163 WeakPolarHBondContact O-CB 3.32Å; F73-K163 PolarHBondContact O-N 3.35Å; K163-P188 HydrophobicContact CB-CB 4.1Å; K163-P188 HydrophobicContact CD-CB 4.41Å; K163-S231 WeakPolarHBondContact O-CA 3.4Å; K163-S232 PolarHBondContact O-N 2.83Å
164	F	98.9	Very high	98.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	-177.5	-57.2	-75.4	0	0	0	111.7	F73 L74 V75 F162 L183 K186 P188 L191 I229 L230	F73-F164 HydrophobicContact CE1-CD2 4.22Å; F73-F164 HydrophobicContact CE2-CD2 4.2Å; F73-F164 AromaticContact CE2-CE2 3.98Å; F73-F164 HydrophobicContact CE2-CE2 3.98Å; F73-F164 AromaticContact CZ-CD2 3.89Å; F73-F164 HydrophobicContact CZ-CD2 3.89Å; F73-F164 AromaticContact CZ-CE2 3.76Å; F73-F164 HydrophobicContact CZ-CE2 3.76Å; F73-F164 PolarHBondContact O-N 3.33Å; F73-F164 VanDerWaalsContact O-N 3.11Å; L74-F164 CarbonylContact C-O 3.56Å; L74-F164 WeakPolarHBondContact CA-O 3.41Å; L74-F164 HydrophobicContact CD1-CB 3.97Å; V75-F164 PolarHBondContact N-O 3.04Å; F162-F164 WeakPolarHBondContact CD2-O 3.42Å; F164-L183 HydrophobicContact CB-CD1 4.14Å; F164-L183 HydrophobicContact CB-CD2 4.34Å; F164-L183 HydrophobicContact CD1-CD2 3.77Å; F164-L183 HydrophobicContact CD2-CB 4Å; F164-L183 HydrophobicContact CD2-CD1 4.18Å; F164-L183 HydrophobicContact CD2-CD2 3.92Å; F164-L183 HydrophobicContact CD2-CG 4.26Å; F164-L183 HydrophobicContact CE1-CD2 3.94Å; F164-L183 HydrophobicContact CE2-CB 3.96Å; F164-L183 HydrophobicContact CE2-CD2 4.1Å; F164-L183 HydrophobicContact CG-CD1 4.21Å; F164-L183 HydrophobicContact CG-CD2 3.74Å; F164-L183 HydrophobicContact CG-CG 4.42Å; F164-L183 HydrophobicContact CZ-CD2 4.09Å; F164-K186 HydrophobicContact CZ-CB 4.43Å; F164-P188 HydrophobicContact CE1-CB 4.14Å; F164-P188 HydrophobicContact CE2-CB 4.1Å; F164-P188 VanDerWaalsContact CZ-CA 3.49Å; F164-P188 HydrophobicContact CZ-CB 3.65Å; F164-L191 HydrophobicContact CD1-CD2 3.94Å; F164-L191 HydrophobicContact CE1-CB 4.43Å; F164-L191 HydrophobicContact CE1-CD2 3.54Å; F164-L191 HydrophobicContact CZ-CD2 4.48Å; F164-I229 HydrophobicContact CB-CG2 4.11Å; F164-I229 HydrophobicContact CD1-CG2 4.25Å; F164-L230 CarbonylContact C-O 3.6Å; F164-L230 VanDerWaalsContact CA-O 3.32Å; F164-L230 WeakPolarHBondContact CA-O 3.43Å
165	V	98.9	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.7	166.1	63.3	0	0	0	0	109.4	V75 L77 Y153 L156 F162 I229 L230 V235	V75-V165 HydrophobicContact CB-CB 4.48Å; V75-V165 HydrophobicContact CB-CG2 4.3Å; V75-V165 HydrophobicContact CG1-CG2 4.4Å; V75-V165 CarbonylContact O-C 3.52Å; V75-V165 VanDerWaalsContact O-CA 3.24Å; V75-V165 WeakPolarHBondContact O-CA 3.48Å; L77-V165 HydrophobicContact CB-CG2 4.42Å; L77-V165 HydrophobicContact CD1-CG2 3.93Å; L77-V165 HydrophobicContact CG-CG2 3.85Å; Y153-V165 HydrophobicContact CE1-CG1 4.26Å; L156-V165 HydrophobicContact CD2-CB 3.83Å; L156-V165 HydrophobicContact CD2-CG1 4.33Å; L156-V165 HydrophobicContact CD2-CG2 3.72Å; F162-V165 HydrophobicContact CD2-CB 4.43Å; F162-V165 HydrophobicContact CE2-CB 4.04Å; F162-V165 HydrophobicContact CE2-CG1 4.3Å; V165-I229 CarbonylContact O-C 3.51Å; V165-I229 WeakPolarHBondContact O-CA 3.31Å; V165-L230 HydrophobicContact CG1-CB 3.91Å; V165-L230 PolarHBondContact N-O 2.77Å; V165-L230 PolarHBondContact O-N 3.5Å; V165-V235 HydrophobicContact CG1-CG2 3.41Å; V165-V235 VanDerWaalsContact CG1-CG2 3.41Å
166	F	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	165.1	175.3	-132.3	0	0	0	108.4	L74 V75 V76 L77 W95 A168 T172 A174 L176 L179 Y228 I229 F272 V287	L74-F166 HydrophobicContact CD1-CB 3.99Å; V75-F166 PolarHBondContact O-N 3.02Å; V76-F166 WeakPolarHBondContact CA-O 3.34Å; V76-F166 HydrophobicContact CG1-CD1 3.93Å; V76-F166 HydrophobicContact CG2-CB 4.5Å; V76-F166 HydrophobicContact CG2-CD1 4.41Å; L77-F166 PolarHBondContact N-O 2.98Å; W95-F166 HydrophobicContact CH2-CE1 4.5Å; W95-F166 HydrophobicContact CZ3-CE1 4.44Å; F166-A168 HydrophobicContact CD1-CB 4.39Å; F166-A168 HydrophobicContact CE1-CB 3.76Å; F166-A168 HydrophobicContact CE2-CB 4.5Å; F166-A168 HydrophobicContact CZ-CB 3.82Å; F166-T172 HydrophobicContact CZ-CG2 4.39Å; F166-A174 HydrophobicContact CD1-CB 4.5Å; F166-A174 HydrophobicContact CE1-CB 3.51Å; F166-A174 HydrophobicContact CZ-CB 3.93Å; F166-L176 HydrophobicContact CD1-CD2 4.09Å; F166-L176 HydrophobicContact CE1-CD2 4.45Å; F166-L179 HydrophobicContact CD1-CD1 4.49Å; F166-L179 HydrophobicContact CE1-CD1 4.42Å; F166-Y228 WeakPolarHBondContact CD2-O 3.4Å; F166-I229 HydrophobicContact CB-CG1 3.93Å; F166-I229 HydrophobicContact CD2-CD1 4.43Å; F166-I229 HydrophobicContact CD2-CG1 3.74Å; F166-I229 HydrophobicContact CG-CG1 4.21Å; F166-F272 HydrophobicContact CE2-CE1 4.47Å; F166-V287 HydrophobicContact CE2-CG1 4.38Å; F166-V287 HydrophobicContact CE2-CG2 3.9Å; F166-V287 HydrophobicContact CZ-CG1 3.94Å; F166-V287 HydrophobicContact CZ-CG2 3.73Å
167	K	98.8	Very high	98.2	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.022	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.6	168.5	-177.4	-92.3	170.8	166.1	0	108.4	L77 M152 D169 G225 G227 Y228 E251	L77-K167 WeakPolarHBondContact O-CA 3.46Å; M152-K167 HydrophobicContact CE-CG 3.72Å; K167-D169 WeakPolarHBondContact CE-OD1 3.36Å; K167-D169 IonicContact NZ-OD1 2.76Å; K167-D169 PolarHBondContact NZ-OD1 2.93Å; K167-G225 PolarHBondContact NZ-O 3.1Å; K167-G227 WeakPolarHBondContact O-CA 3.37Å; K167-Y228 HydrophobicContact CB-CD2 4.29Å; K167-Y228 HydrophobicContact CB-CE1 4.43Å; K167-Y228 HydrophobicContact CB-CE2 3.77Å; K167-Y228 HydrophobicContact CD-CD1 4.44Å; K167-Y228 HydrophobicContact CD-CE1 3.75Å; K167-Y228 HydrophobicContact CG-CE1 4.42Å; K167-Y228 HydrophobicContact CG-CE2 4.41Å; K167-Y228 PolarHBondContact N-O 3.13Å; K167-Y228 PolarHBondContact O-N 3.47Å; K167-Y228 VanDerWaalsContact O-N 3.14Å; K167-E251 WeakPolarHBondContact CE-OE2 3.36Å; K167-E251 IonicContact NZ-OE2 2.97Å; K167-E251 PolarHBondContact NZ-OE2 2.86Å
168	A	98.7	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.4	176.2	0	0	0	0	0	111.3	L77 I78 T79 W95 F166 T172	L77-A168 PolarHBondContact O-N 2.77Å; I78-A168 CarbonylContact C-O 3.56Å; I78-A168 WeakPolarHBondContact CA-O 3.5Å; T79-A168 PolarHBondContact N-O 2.87Å; T79-A168 PolarHBondContact OG1-O 2.94Å; W95-A168 HydrophobicContact CH2-CB 4.4Å; F166-A168 HydrophobicContact CD1-CB 4.39Å; F166-A168 HydrophobicContact CE1-CB 3.76Å; F166-A168 HydrophobicContact CE2-CB 4.5Å; F166-A168 HydrophobicContact CZ-CB 3.82Å; A168-T172 HydrophobicContact CB-CG2 4.14Å
169	D	98.4	Very high	98.3	Very high	31 Å²	31	24 Å²	24	17%	0.166	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	158.7	167.3	-68.7	-9.3	0	0	0	110	T79 K167 D171 T172 H289	T79-D169 PolarHBondContact OG1-OD1 3.48Å; K167-D169 WeakPolarHBondContact CE-OD1 3.36Å; K167-D169 IonicContact NZ-OD1 2.76Å; K167-D169 PolarHBondContact NZ-OD1 2.93Å; D169-D171 WeakPolarHBondContact CB-OD1 3.38Å; D169-D171 PolarHBondContact O-N 3.13Å; D169-D171 VanDerWaalsContact O-N 3.17Å; D169-T172 PolarHBondContact N-OG1 3.17Å; D169-T172 WeakPolarHBondContact O-CB 3.42Å; D169-T172 PolarHBondContact O-N 3.38Å; D169-T172 PolarHBondContact O-OG1 3.46Å; D169-T172 VanDerWaalsContact O-OG1 3.11Å; D169-H289 IonicContact OD2-NE2 3.52Å
170	D	98.3	Very high	98.3	Very high	13 Å²	13	22.5 Å²	22.5	7%	0.07	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.1	178.5	68.2	-3	0	0	0	114.6	I78 T79 T80 R87 I91	I78-D170 HydrophobicContact CG2-CB 4.04Å; T79-D170 PolarHBondContact O-N 3.42Å; T80-D170 PolarHBondContact OG1-OD2 3.06Å; R87-D170 HydrophobicContact CB-CB 4.22Å; R87-D170 VanDerWaalsContact CD-OD2 3.24Å; R87-D170 WeakPolarHBondContact CD-OD2 3.46Å; R87-D170 IonicContact CZ-OD1 2.66Å; R87-D170 IonicContact NH1-OD1 2.85Å; R87-D170 PolarHBondContact NH1-OD1 2.72Å; R87-D170 IonicContact NH1-OD2 3.64Å; I91-D170 HydrophobicContact CD1-CB 4.3Å
171	D	98	Very high	98.2	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	30.4	167	60.2	4.5	0	0	0	112.2	R87 D169 H289 K290 Q291	R87-D171 IonicContact NH1-OD2 3.28Å; D169-D171 WeakPolarHBondContact CB-OD1 3.38Å; D169-D171 PolarHBondContact O-N 3.13Å; D169-D171 VanDerWaalsContact O-N 3.17Å; D171-H289 IonicContact OD1-CD2 3.3Å; D171-H289 PolarHBondContact OD1-CD2 3.33Å; D171-H289 IonicContact OD1-NE2 2.64Å; D171-K290 CarbonylContact O-C 3.54Å; D171-K290 WeakPolarHBondContact O-CA 3.46Å; D171-K290 IonicContact OD1-NZ 3.55Å; D171-K290 WeakPolarHBondContact OD2-CD 3.4Å; D171-K290 WeakPolarHBondContact OD2-CG 3.48Å; D171-K290 IonicContact OD2-NZ 3.55Å; D171-K290 PolarHBondContact OD2-NZ 3.25Å; D171-Q291 PolarHBondContact O-N 2.78Å
172	T	98.6	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.3	175.9	-57.5	0	0	0	0	111.7	W95 F166 A168 D169 G226 V287 M296	W95-T172 PolarHBondContact NE1-O 3.18Å; F166-T172 HydrophobicContact CZ-CG2 4.39Å; A168-T172 HydrophobicContact CB-CG2 4.14Å; D169-T172 PolarHBondContact N-OG1 3.17Å; D169-T172 WeakPolarHBondContact O-CB 3.42Å; D169-T172 PolarHBondContact O-N 3.38Å; D169-T172 PolarHBondContact O-OG1 3.46Å; D169-T172 VanDerWaalsContact O-OG1 3.11Å; T172-G226 WeakPolarHBondContact CG2-O 3.35Å; T172-G226 PolarHBondContact OG1-O 3.42Å; T172-V287 HydrophobicContact CG2-CG1 3.44Å; T172-V287 VanDerWaalsContact CG2-CG1 3.44Å; T172-M296 VanDerWaalsContact O-CE 3.3Å; T172-M296 WeakPolarHBondContact O-CE 3.46Å
173	F	98.7	Very high	98.2	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.8	167.8	-172.5	-79.6	0	0	0	109.9	W95 V287 T288 Q291 M296 K299 H300 L303 L309	W95-F173 HydrophobicContact CB-CD2 4.15Å; W95-F173 HydrophobicContact CB-CE1 4.32Å; W95-F173 HydrophobicContact CB-CE2 3.88Å; W95-F173 HydrophobicContact CB-CZ 3.97Å; W95-F173 AromaticContact CD1-CD2 3.51Å; W95-F173 AromaticContact CD1-CE2 3.97Å; W95-F173 HydrophobicContact CG-CD2 4.11Å; W95-F173 HydrophobicContact CG-CE2 4.3Å; W95-F173 HydrophobicContact CG-CG 4.4Å; F173-V287 CarbonylContact O-C 3.51Å; F173-V287 WeakPolarHBondContact O-CA 3.44Å; F173-T288 PolarHBondContact N-O 2.95Å; F173-T288 PolarHBondContact O-N 3.08Å; F173-Q291 HydrophobicContact CB-CG 3.92Å; F173-M296 HydrophobicContact CB-CG 4.37Å; F173-M296 HydrophobicContact CD2-CB 3.95Å; F173-M296 HydrophobicContact CD2-CG 4.01Å; F173-M296 WeakPolarHBondContact CE2-O 3.45Å; F173-K299 HydrophobicContact CB-CD 4.23Å; F173-K299 HydrophobicContact CD1-CB 4.42Å; F173-K299 HydrophobicContact CD1-CD 4.03Å; F173-K299 HydrophobicContact CD2-CB 4.24Å; F173-K299 HydrophobicContact CD2-CD 4.31Å; F173-K299 HydrophobicContact CE1-CB 4.11Å; F173-K299 HydrophobicContact CE1-CD 4.5Å; F173-K299 HydrophobicContact CE2-CB 3.89Å; F173-K299 HydrophobicContact CG-CB 4.49Å; F173-K299 HydrophobicContact CG-CD 3.94Å; F173-K299 HydrophobicContact CZ-CB 3.83Å; F173-H300 HydrophobicContact CE2-CB 4.2Å; F173-H300 HydrophobicContact CZ-CB 4.4Å; F173-L303 HydrophobicContact CE1-CD1 3.9Å; F173-L303 HydrophobicContact CZ-CD1 3.92Å; F173-L309 HydrophobicContact CD1-CD1 4.08Å; F173-L309 HydrophobicContact CE1-CD1 3.68Å
174	A	98.6	Very high	98.2	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.7	-177.4	0	0	0	0	0	112.9	W95 F166 L176 L179 L286 V287	W95-A174 VanDerWaalsContact CB-O 3.29Å; W95-A174 WeakPolarHBondContact CB-O 3.29Å; W95-A174 HydrophobicContact CD2-CB 4.38Å; W95-A174 HydrophobicContact CE3-CB 3.94Å; W95-A174 HydrophobicContact CZ3-CB 4.07Å; F166-A174 HydrophobicContact CD1-CB 4.5Å; F166-A174 HydrophobicContact CE1-CB 3.51Å; F166-A174 HydrophobicContact CZ-CB 3.93Å; A174-L176 HydrophobicContact CB-CD2 4.17Å; A174-L176 PolarHBondContact O-N 3.14Å; A174-L179 HydrophobicContact CB-CD1 4.08Å; A174-L286 CarbonylContact C-O 3.51Å; A174-L286 WeakPolarHBondContact CA-O 3.38Å; A174-V287 HydrophobicContact CB-CG2 4.38Å
175	R	98.3	Very high	98.1	Very high	29 Å²	29	31.6 Å²	31.6	11%	0.109	17%	0.171	C	C	.	.			trans	-89	81.9	169.9	-64.2	-163.9	-58.1	-171.2	0.7	109.8	D177 L178 L179 N283 K284 Y285 L286 L303 L309	R175-D177 VanDerWaalsContact C-N 3.27Å; R175-D177 PolarHBondContact O-N 3.33Å; R175-L178 HydrophobicContact CB-CB 4.36Å; R175-L178 HydrophobicContact CB-CD1 4.4Å; R175-L178 HydrophobicContact CB-CG 4.35Å; R175-L178 VanDerWaalsContact NE-CD1 3.29Å; R175-L178 PolarHBondContact O-N 3.21Å; R175-L179 PolarHBondContact O-N 3.08Å; R175-N283 PolarHBondContact NH1-O 3.11Å; R175-N283 PolarHBondContact NH2-O 2.89Å; R175-K284 PolarHBondContact NH2-O 3.07Å; R175-Y285 PolarHBondContact NE-O 2.78Å; R175-Y285 PolarHBondContact NH2-O 2.92Å; R175-L286 PolarHBondContact N-O 2.9Å; R175-L303 HydrophobicContact CG-CD1 4.35Å; R175-L309 HydrophobicContact CG-CD1 4.39Å
176	L	97.8	Very high	98	Very high	23 Å²	23	33.9 Å²	33.9	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-32.4	-172.9	-69.9	-174	0	0	0	113.8	L74 V76 W95 L96 F166 A174 L179 K180	L74-L176 HydrophobicContact CD2-CD2 4.47Å; V76-L176 HydrophobicContact CG2-CD1 4.21Å; V76-L176 HydrophobicContact CG2-CD2 3.98Å; W95-L176 HydrophobicContact CE3-CD1 3.87Å; W95-L176 HydrophobicContact CE3-CD2 4.3Å; W95-L176 HydrophobicContact CE3-CG 3.88Å; W95-L176 HydrophobicContact CZ3-CD1 3.99Å; W95-L176 HydrophobicContact CZ3-CD2 4.08Å; W95-L176 HydrophobicContact CZ3-CG 4.12Å; L96-L176 HydrophobicContact CD2-CD1 3.41Å; L96-L176 VanDerWaalsContact CD2-CD1 3.41Å; F166-L176 HydrophobicContact CD1-CD2 4.09Å; F166-L176 HydrophobicContact CE1-CD2 4.45Å; A174-L176 HydrophobicContact CB-CD2 4.17Å; A174-L176 PolarHBondContact O-N 3.14Å; L176-L179 HydrophobicContact CD2-CD1 4.23Å; L176-L179 PolarHBondContact O-N 2.93Å; L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 PolarHBondContact O-N 3.26Å
177	D	95.4	Very high	97.8	Very high	101 Å²	101	40 Å²	40	54%	0.54	21%	0.21	S	C	.	.	H	α-helix	trans	-58.7	-48	174.5	59.9	-34.6	0	0	0	111.6	R175 E181	R175-D177 VanDerWaalsContact C-N 3.27Å; R175-D177 PolarHBondContact O-N 3.33Å; D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 2.85Å
178	L	97.8	Very high	97.6	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-73.7	-39.2	178.5	-59.1	-170.7	0	0	0	112.5	R175 E181 E182 L286	R175-L178 HydrophobicContact CB-CB 4.36Å; R175-L178 HydrophobicContact CB-CD1 4.4Å; R175-L178 HydrophobicContact CB-CG 4.35Å; R175-L178 VanDerWaalsContact NE-CD1 3.29Å; R175-L178 PolarHBondContact O-N 3.21Å; L178-E181 PolarHBondContact O-N 3.28Å; L178-E182 PolarHBondContact O-N 2.91Å; L178-L286 HydrophobicContact CB-CD2 3.67Å; L178-L286 HydrophobicContact CD1-CD2 4.11Å
179	L	98.3	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-47.8	174.9	-75.8	172.3	0	0	0	111	F166 A174 R175 L176 E181 E182 L183 W193 I229 F272 L286 V287	F166-L179 HydrophobicContact CD1-CD1 4.49Å; F166-L179 HydrophobicContact CE1-CD1 4.42Å; A174-L179 HydrophobicContact CB-CD1 4.08Å; R175-L179 PolarHBondContact O-N 3.08Å; L176-L179 HydrophobicContact CD2-CD1 4.23Å; L176-L179 PolarHBondContact O-N 2.93Å; L179-E181 VanDerWaalsContact C-N 3.35Å; L179-E181 PolarHBondContact O-N 2.95Å; L179-E182 PolarHBondContact O-N 3.28Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.71Å; L179-W193 HydrophobicContact CD2-CH2 3.94Å; L179-W193 HydrophobicContact CD2-CZ3 4.1Å; L179-I229 HydrophobicContact CD2-CD1 3.93Å; L179-F272 HydrophobicContact CD2-CE2 4.25Å; L179-F272 HydrophobicContact CD2-CZ 3.81Å; L179-L286 HydrophobicContact CD2-CB 3.92Å; L179-L286 HydrophobicContact CD2-CD1 4.03Å; L179-L286 HydrophobicContact CD2-CG 4.44Å; L179-L286 HydrophobicContact CG-CB 4.34Å; L179-V287 HydrophobicContact CD1-CG2 3.98Å; L179-V287 HydrophobicContact CD2-CG2 4.49Å
180	K	97.7	Very high	97.6	Very high	18 Å²	18	47.6 Å²	47.6	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-44.1	178	-174.8	-178.3	175.5	-171.8	0	111.1	F73 D100 D102 V103 L176 L183 K184	F73-K180 HydrophobicContact CD1-CG 3.87Å; F73-K180 HydrophobicContact CE1-CG 3.87Å; D100-K180 IonicContact OD1-NZ 2.76Å; D100-K180 PolarHBondContact OD1-NZ 3.3Å; D100-K180 VanDerWaalsContact OD2-CD 3.3Å; D100-K180 WeakPolarHBondContact OD2-CD 3.43Å; D100-K180 IonicContact OD2-NZ 2.73Å; D100-K180 PolarHBondContact OD2-NZ 2.87Å; D102-K180 IonicContact OD2-NZ 3.87Å; D102-K180 PolarHBondContact OD2-NZ 2.9Å; V103-K180 HydrophobicContact CG2-CD 4.13Å; L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 PolarHBondContact O-N 3.26Å; K180-L183 PolarHBondContact O-N 3.38Å; K180-K184 PolarHBondContact O-N 2.84Å
181	E	97.8	Very high	97.6	Very high	112 Å²	112	47 Å²	47	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-44.7	178.8	-171	57.9	-155.2	0	0	112	D177 L178 L179 L183 K184	D177-E181 WeakPolarHBondContact O-CB 3.49Å; D177-E181 PolarHBondContact O-N 2.85Å; L178-E181 PolarHBondContact O-N 3.28Å; L179-E181 VanDerWaalsContact C-N 3.35Å; L179-E181 PolarHBondContact O-N 2.95Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.28Å; E181-K184 WeakPolarHBondContact O-CB 3.31Å; E181-K184 PolarHBondContact O-N 3.03Å; E181-K184 WeakPolarHBondContact OE2-CD 3.28Å; E181-K184 WeakPolarHBondContact OE2-CE 3.28Å; E181-K184 IonicContact OE2-NZ 2.72Å; E181-K184 PolarHBondContact OE2-NZ 3.25Å
182	E	98.1	Very high	97.6	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-34.7	175.7	-74.7	-163.1	-155.5	0	0	113.1	L178 L179 K184 G185 K186 W193 R271	L178-E182 PolarHBondContact O-N 2.91Å; L179-E182 PolarHBondContact O-N 3.28Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.27Å; E182-G185 PolarHBondContact O-N 2.76Å; E182-K186 WeakPolarHBondContact O-CG 3.46Å; E182-W193 HydrophobicContact CB-CH2 3.77Å; E182-W193 HydrophobicContact CB-CZ3 4.35Å; E182-W193 HydrophobicContact CG-CH2 4.47Å; E182-W193 VanDerWaalsContact OE2-CH2 3.28Å; E182-W193 WeakPolarHBondContact OE2-CH2 3.44Å; E182-W193 VanDerWaalsContact OE2-CZ2 3.28Å; E182-W193 WeakPolarHBondContact OE2-CZ2 3.21Å; E182-R271 VanDerWaalsContact CD-NH2 3.29Å; E182-R271 IonicContact OE1-CZ 3.75Å; E182-R271 IonicContact OE1-NH1 3.15Å; E182-R271 PolarHBondContact OE1-NH1 2.84Å; E182-R271 IonicContact OE1-NH2 2.71Å; E182-R271 PolarHBondContact OE1-NH2 2.71Å; E182-R271 IonicContact OE2-CZ 3.79Å; E182-R271 IonicContact OE2-NH1 3.53Å; E182-R271 IonicContact OE2-NH2 3.44Å; E182-R271 PolarHBondContact OE2-NH2 2.92Å
183	L	98.6	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-28.7	178.2	-74.8	167.4	0	0	0	112.7	F73 L74 F164 L179 K180 E181 G185 K186 L191 W193 I229	F73-L183 HydrophobicContact CE1-CB 3.75Å; F73-L183 HydrophobicContact CZ-CB 3.78Å; L74-L183 HydrophobicContact CD1-CD1 3.93Å; L74-L183 HydrophobicContact CD2-CD1 4.26Å; F164-L183 HydrophobicContact CB-CD1 4.14Å; F164-L183 HydrophobicContact CB-CD2 4.34Å; F164-L183 HydrophobicContact CD1-CD2 3.77Å; F164-L183 HydrophobicContact CD2-CB 4Å; F164-L183 HydrophobicContact CD2-CD1 4.18Å; F164-L183 HydrophobicContact CD2-CD2 3.92Å; F164-L183 HydrophobicContact CD2-CG 4.26Å; F164-L183 HydrophobicContact CE1-CD2 3.94Å; F164-L183 HydrophobicContact CE2-CB 3.96Å; F164-L183 HydrophobicContact CE2-CD2 4.1Å; F164-L183 HydrophobicContact CG-CD1 4.21Å; F164-L183 HydrophobicContact CG-CD2 3.74Å; F164-L183 HydrophobicContact CG-CG 4.42Å; F164-L183 HydrophobicContact CZ-CD2 4.09Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.71Å; K180-L183 PolarHBondContact O-N 3.38Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.28Å; L183-G185 PolarHBondContact O-N 3.01Å; L183-K186 HydrophobicContact CD2-CD 4.16Å; L183-K186 PolarHBondContact O-N 3.24Å; L183-L191 HydrophobicContact CD2-CD2 4Å; L183-W193 HydrophobicContact CD2-CE3 3.97Å; L183-W193 HydrophobicContact CD2-CZ3 3.93Å; L183-W193 HydrophobicContact CG-CZ3 4.03Å; L183-I229 HydrophobicContact CD1-CD1 4.15Å; L183-I229 HydrophobicContact CD2-CD1 4.35Å; L183-I229 HydrophobicContact CD2-CG2 3.95Å
184	K	97.6	Very high	97.7	Very high	123 Å²	123	46.3 Å²	46.3	54%	0.535	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-28.7	175.5	-68.8	174.5	-173.7	166.8	0	112.5	F73 K180 E181 E182	F73-K184 HydrophobicContact CZ-CG 4.14Å; K180-K184 PolarHBondContact O-N 2.84Å; E181-K184 WeakPolarHBondContact O-CB 3.31Å; E181-K184 PolarHBondContact O-N 3.03Å; E181-K184 WeakPolarHBondContact OE2-CD 3.28Å; E181-K184 WeakPolarHBondContact OE2-CE 3.28Å; E181-K184 IonicContact OE2-NZ 2.72Å; E181-K184 PolarHBondContact OE2-NZ 3.25Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.27Å
185	G	96.8	Very high	97.7	Very high	73 Å²	73	46.2 Å²	46.2	75%	0.753	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	4	176.8	0	0	0	0	0	114.8	E182 L183	E182-G185 PolarHBondContact O-N 2.76Å; L183-G185 PolarHBondContact O-N 3.01Å
186	K	96.4	Very high	97.7	Very high	48 Å²	48	44.8 Å²	44.8	21%	0.209	24%	0.241	C	C	.	.	S	Bend	trans	-107.8	140.6	-178.5	-66.2	-178	-160.1	-64.1	0	110.9	F164 E182 L183 P188 L191 W193	F164-K186 HydrophobicContact CZ-CB 4.43Å; E182-K186 WeakPolarHBondContact O-CG 3.46Å; L183-K186 HydrophobicContact CD2-CD 4.16Å; L183-K186 PolarHBondContact O-N 3.24Å; K186-P188 WeakPolarHBondContact O-CD 3.36Å; K186-L191 HydrophobicContact CB-CD2 4.24Å; K186-L191 HydrophobicContact CD-CD1 4.41Å; K186-L191 HydrophobicContact CD-CD2 3.81Å; K186-W193 HydrophobicContact CD-CD2 4.47Å; K186-W193 HydrophobicContact CD-CE3 3.98Å; K186-W193 HydrophobicContact CD-CZ3 4.15Å; K186-W193 VanDerWaalsContact CE-CE3 3.47Å
187	E	95.5	Very high	97.6	Very high	129 Å²	129	44.3 Å²	44.3	60%	0.603	24%	0.239	S	C	*	.			trans	-60.4	127	172.1	-62.9	-64.9	140.6	0	0	110.3	S189 R265	E187-S189 PolarHBondContact O-N 2.88Å; E187-R265 PolarHBondContact O-NH2 3.46Å
188	P	95.4	Very high	97.6	Very high	57 Å²	57	39.5 Å²	39.5	37%	0.37	21%	0.214	S	C	.	.	S	Bend	trans	-80.9	40.5	-178.6	35.7	-37.4	0	0	0	112.5	K163 F164 K186	K163-P188 HydrophobicContact CB-CB 4.1Å; K163-P188 HydrophobicContact CD-CB 4.41Å; F164-P188 HydrophobicContact CE1-CB 4.14Å; F164-P188 HydrophobicContact CE2-CB 4.1Å; F164-P188 VanDerWaalsContact CZ-CA 3.49Å; F164-P188 HydrophobicContact CZ-CB 3.65Å; K186-P188 WeakPolarHBondContact O-CD 3.36Å
189	S	97.7	Very high	97.4	Very high	54 Å²	54	40.8 Å²	40.8	38%	0.378	21%	0.214	S	C	.	.	S	Bend	trans	-145.1	142.1	177.6	177	0	0	0	0	110.3	E187 L191 D233	E187-S189 PolarHBondContact O-N 2.88Å; S189-L191 PolarHBondContact O-N 2.89Å; S189-D233 VanDerWaalsContact CA-OD2 3.28Å; S189-D233 WeakPolarHBondContact CA-OD2 3.35Å; S189-D233 WeakPolarHBondContact CB-OD2 3.48Å; S189-D233 PolarHBondContact OG-OD2 2.95Å
190	K	98.2	Very high	97.1	Very high	85 Å²	85	41.5 Å²	41.5	37%	0.37	22%	0.222	S	C	.	.	S	Bend	trans	52.8	19.8	177.9	-60.4	170.1	176.8	-176	0	114.5	S231 D233 D263 R265	K190-S231 PolarHBondContact N-OG 3.11Å; K190-D233 VanDerWaalsContact N-CG 3.34Å; K190-D233 PolarHBondContact N-OD1 3.06Å; K190-D233 PolarHBondContact N-OD2 3.17Å; K190-D263 WeakPolarHBondContact CD-O 3.43Å; K190-D263 WeakPolarHBondContact CG-O 3.45Å; K190-D263 IonicContact NZ-OD2 3.99Å; K190-D263 PolarHBondContact NZ-OD2 3.4Å; K190-R265 WeakPolarHBondContact O-CA 3.26Å; K190-R265 WeakPolarHBondContact O-CB 3.5Å; K190-R265 PolarHBondContact O-N 3.44Å
191	L	98.8	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.4	-177.3	-179	66.4	0	0	0	110.1	F164 L183 K186 S189 W193 I229 L230 S231 L234	F164-L191 HydrophobicContact CD1-CD2 3.94Å; F164-L191 HydrophobicContact CE1-CB 4.43Å; F164-L191 HydrophobicContact CE1-CD2 3.54Å; F164-L191 HydrophobicContact CZ-CD2 4.48Å; L183-L191 HydrophobicContact CD2-CD2 4Å; K186-L191 HydrophobicContact CB-CD2 4.24Å; K186-L191 HydrophobicContact CD-CD1 4.41Å; K186-L191 HydrophobicContact CD-CD2 3.81Å; S189-L191 PolarHBondContact O-N 2.89Å; L191-W193 HydrophobicContact CD1-CB 4.13Å; L191-W193 HydrophobicContact CD2-CB 4.42Å; L191-W193 HydrophobicContact CG-CB 4.19Å; L191-I229 HydrophobicContact CD2-CG2 4.46Å; L191-L230 CarbonylContact O-C 3.47Å; L191-L230 VanDerWaalsContact O-CA 3.29Å; L191-L230 WeakPolarHBondContact O-CA 3.43Å; L191-S231 PolarHBondContact N-OG 3.38Å; L191-S231 PolarHBondContact O-N 3.26Å; L191-L234 WeakPolarHBondContact O-CD1 3.49Å
192	Y	98.8	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	104.5	164.4	-173.6	-174.4	0	0	0	108.6	F196 A223 Y228 I229 L230 L255 L259 V264 R265 R266 T267	Y192-F196 AromaticContact CD1-CE1 3.87Å; Y192-F196 HydrophobicContact CD1-CE1 3.87Å; Y192-F196 AromaticContact CD1-CZ 3.68Å; Y192-F196 HydrophobicContact CD1-CZ 3.68Å; Y192-F196 AromaticContact CD2-CZ 3.93Å; Y192-F196 HydrophobicContact CD2-CZ 3.93Å; Y192-F196 AromaticContact CE1-CE1 3.88Å; Y192-F196 HydrophobicContact CE1-CE1 3.88Å; Y192-F196 HydrophobicContact CE1-CZ 4.03Å; Y192-F196 HydrophobicContact CE2-CZ 4.26Å; Y192-F196 HydrophobicContact CG-CE1 4.29Å; Y192-F196 AromaticContact CG-CZ 3.62Å; Y192-F196 HydrophobicContact CG-CZ 3.62Å; Y192-F196 WeakPolarHBondContact O-CE2 3.37Å; Y192-F196 WeakPolarHBondContact O-CZ 3.15Å; Y192-A223 HydrophobicContact CD2-CB 4.26Å; Y192-A223 HydrophobicContact CE2-CB 3.39Å; Y192-A223 PolarHBondContact OH-N 3.29Å; Y192-A223 VanDerWaalsContact OH-N 3.16Å; Y192-Y228 AromaticContact CE2-CD2 3.85Å; Y192-Y228 HydrophobicContact CE2-CD2 3.85Å; Y192-Y228 AromaticContact CE2-CG 3.92Å; Y192-Y228 HydrophobicContact CE2-CG 3.92Å; Y192-I229 WeakPolarHBondContact CA-O 3.37Å; Y192-L230 HydrophobicContact CD1-CD2 4.33Å; Y192-L230 HydrophobicContact CD2-CD2 3.32Å; Y192-L230 HydrophobicContact CE2-CD2 3.88Å; Y192-L230 HydrophobicContact CG-CD2 3.58Å; Y192-L255 HydrophobicContact CE2-CD2 4.2Å; Y192-L259 HydrophobicContact CD1-CD1 3.69Å; Y192-L259 HydrophobicContact CE1-CD1 3.91Å; Y192-L259 HydrophobicContact CG-CD1 4.32Å; Y192-V264 HydrophobicContact CD1-CG1 4.36Å; Y192-V264 HydrophobicContact CG-CG1 4.5Å; Y192-R265 PolarHBondContact N-O 3.3Å; Y192-R266 CarbonylContact O-C 3.5Å; Y192-R266 WeakPolarHBondContact O-CA 3.46Å; Y192-T267 PolarHBondContact O-N 2.96Å
193	W	98.9	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.5	-171.3	179.9	25	0	0	0	111.6	L179 E182 L183 K186 L191 Y228 I229 T267 D269 F272 L286	L179-W193 HydrophobicContact CD2-CH2 3.94Å; L179-W193 HydrophobicContact CD2-CZ3 4.1Å; E182-W193 HydrophobicContact CB-CH2 3.77Å; E182-W193 HydrophobicContact CB-CZ3 4.35Å; E182-W193 HydrophobicContact CG-CH2 4.47Å; E182-W193 VanDerWaalsContact OE2-CH2 3.28Å; E182-W193 WeakPolarHBondContact OE2-CH2 3.44Å; E182-W193 VanDerWaalsContact OE2-CZ2 3.28Å; E182-W193 WeakPolarHBondContact OE2-CZ2 3.21Å; L183-W193 HydrophobicContact CD2-CE3 3.97Å; L183-W193 HydrophobicContact CD2-CZ3 3.93Å; L183-W193 HydrophobicContact CG-CZ3 4.03Å; K186-W193 HydrophobicContact CD-CD2 4.47Å; K186-W193 HydrophobicContact CD-CE3 3.98Å; K186-W193 HydrophobicContact CD-CZ3 4.15Å; K186-W193 VanDerWaalsContact CE-CE3 3.47Å; L191-W193 HydrophobicContact CD1-CB 4.13Å; L191-W193 HydrophobicContact CD2-CB 4.42Å; L191-W193 HydrophobicContact CG-CB 4.19Å; W193-Y228 CarbonylContact O-C 3.57Å; W193-Y228 WeakPolarHBondContact O-CA 3.36Å; W193-Y228 WeakPolarHBondContact O-CB 3.35Å; W193-I229 HydrophobicContact CB-CB 4.31Å; W193-I229 HydrophobicContact CD2-CD1 4.36Å; W193-I229 HydrophobicContact CE3-CB 4.36Å; W193-I229 HydrophobicContact CE3-CD1 3.47Å; W193-I229 VanDerWaalsContact CE3-CD1 3.47Å; W193-I229 HydrophobicContact CE3-CG1 4.46Å; W193-I229 HydrophobicContact CZ3-CD1 3.68Å; W193-I229 PolarHBondContact N-O 3.5Å; W193-I229 PolarHBondContact O-N 2.99Å; W193-T267 WeakPolarHBondContact CA-O 3.48Å; W193-T267 VanDerWaalsContact CD1-O 3.31Å; W193-T267 HydrophobicContact CG-CG2 4.12Å; W193-D269 VanDerWaalsContact CZ2-OD2 3.31Å; W193-D269 WeakPolarHBondContact CZ2-OD2 3.49Å; W193-D269 PolarHBondContact NE1-OD2 3.27Å; W193-D269 VanDerWaalsContact NE1-OD2 3.08Å; W193-F272 HydrophobicContact CD2-CE2 4.16Å; W193-F272 HydrophobicContact CD2-CZ 4.04Å; W193-F272 AromaticContact CE2-CE2 3.56Å; W193-F272 AromaticContact CE2-CZ 3.92Å; W193-F272 HydrophobicContact CE3-CZ 4.43Å; W193-F272 HydrophobicContact CG-CZ 4.41Å; W193-F272 HydrophobicContact CH2-CE2 4.45Å; W193-F272 AromaticContact CZ2-CE2 3.76Å; W193-F272 HydrophobicContact CZ2-CE2 3.76Å; W193-F272 HydrophobicContact CZ2-CZ 4.23Å; W193-F272 AromaticContact NE1-CE2 3.58Å; W193-L286 HydrophobicContact CH2-CD1 4.12Å; W193-L286 HydrophobicContact CZ2-CD1 3.88Å
194	G	98.7	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-161.6	175	0	0	0	0	0	111.4	F196 T267 H268 D269	G194-F196 PolarHBondContact O-N 3.29Å; G194-T267 PolarHBondContact N-O 3.28Å; G194-T267 VanDerWaalsContact N-O 3.09Å; G194-H268 WeakPolarHBondContact O-CA 3.25Å; G194-D269 PolarHBondContact O-N 2.95Å
195	F	98.5	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	97.6	176.3	-162.9	-99.1	0	0	0	111	A223 L224 H268 D269 P270 F272 T274 E275 Y320	F195-A223 WeakPolarHBondContact O-CA 3.5Å; F195-L224 HydrophobicContact CD1-CD1 3.63Å; F195-L224 HydrophobicContact CD1-CG 4.35Å; F195-L224 HydrophobicContact CE1-CD1 4.25Å; F195-L224 WeakPolarHBondContact O-CG 3.48Å; F195-L224 PolarHBondContact O-N 3.36Å; F195-H268 AromaticContact CD2-CE1 3.49Å; F195-H268 VanDerWaalsContact CD2-CE1 3.49Å; F195-H268 WeakPolarHBondContact CD2-CE1 3.43Å; F195-H268 AromaticContact CD2-NE2 3.95Å; F195-H268 AromaticContact CE2-CE1 3.39Å; F195-H268 WeakPolarHBondContact CE2-CE1 3.42Å; F195-H268 AromaticContact CE2-NE2 3.64Å; F195-H268 AromaticContact CZ-CE1 3.85Å; F195-D269 WeakPolarHBondContact CD2-O 3.43Å; F195-P270 HydrophobicContact CE2-CB 4.27Å; F195-F272 HydrophobicContact CB-CB 3.87Å; F195-F272 VanDerWaalsContact CB-O 3.29Å; F195-F272 WeakPolarHBondContact CB-O 3.36Å; F195-F272 WeakPolarHBondContact CD2-O 3.39Å; F195-F272 WeakPolarHBondContact CG-O 3.36Å; F195-T274 WeakPolarHBondContact CB-OG1 3.33Å; F195-E275 HydrophobicContact CD1-CG 4.04Å; F195-E275 HydrophobicContact CE1-CG 3.76Å; F195-Y320 HydrophobicContact CE1-CD1 4.25Å; F195-Y320 AromaticContact CE1-CE1 3.4Å; F195-Y320 HydrophobicContact CE1-CE1 3.4Å; F195-Y320 AromaticContact CE1-CE2 3.96Å; F195-Y320 HydrophobicContact CE1-CE2 3.96Å; F195-Y320 AromaticContact CE1-CZ 3.23Å; F195-Y320 WeakPolarHBondContact CE1-OH 3.48Å; F195-Y320 AromaticContact CZ-CD1 3.76Å; F195-Y320 HydrophobicContact CZ-CD1 3.76Å; F195-Y320 HydrophobicContact CZ-CD2 4.16Å; F195-Y320 AromaticContact CZ-CE1 3.37Å; F195-Y320 HydrophobicContact CZ-CE1 3.37Å; F195-Y320 AromaticContact CZ-CE2 3.81Å; F195-Y320 HydrophobicContact CZ-CE2 3.81Å; F195-Y320 HydrophobicContact CZ-CG 4.16Å; F195-Y320 AromaticContact CZ-CZ 3.42Å; F195-Y320 VanDerWaalsContact CZ-CZ 3.42Å
196	F	98.4	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.5	-179	-77	-96.7	0	0	0	114.1	Y192 G194 Y222 A223 R266 T267 H268 Y320 Y322 W324	Y192-F196 AromaticContact CD1-CE1 3.87Å; Y192-F196 HydrophobicContact CD1-CE1 3.87Å; Y192-F196 AromaticContact CD1-CZ 3.68Å; Y192-F196 HydrophobicContact CD1-CZ 3.68Å; Y192-F196 AromaticContact CD2-CZ 3.93Å; Y192-F196 HydrophobicContact CD2-CZ 3.93Å; Y192-F196 AromaticContact CE1-CE1 3.88Å; Y192-F196 HydrophobicContact CE1-CE1 3.88Å; Y192-F196 HydrophobicContact CE1-CZ 4.03Å; Y192-F196 HydrophobicContact CE2-CZ 4.26Å; Y192-F196 HydrophobicContact CG-CE1 4.29Å; Y192-F196 AromaticContact CG-CZ 3.62Å; Y192-F196 HydrophobicContact CG-CZ 3.62Å; Y192-F196 WeakPolarHBondContact O-CE2 3.37Å; Y192-F196 WeakPolarHBondContact O-CZ 3.15Å; G194-F196 PolarHBondContact O-N 3.29Å; F196-Y222 CarbonylContact C-O 3.58Å; F196-Y222 VanDerWaalsContact CA-O 3.27Å; F196-Y222 WeakPolarHBondContact CA-O 3.46Å; F196-A223 HydrophobicContact CD2-CB 4.39Å; F196-A223 HydrophobicContact CE1-CB 4.35Å; F196-A223 HydrophobicContact CE2-CB 4.21Å; F196-A223 HydrophobicContact CZ-CB 4.19Å; F196-R266 HydrophobicContact CE1-CB 4.02Å; F196-R266 HydrophobicContact CE1-CG 3.8Å; F196-R266 HydrophobicContact CE2-CB 4.12Å; F196-R266 HydrophobicContact CZ-CB 3.7Å; F196-R266 HydrophobicContact CZ-CG 3.78Å; F196-T267 WeakPolarHBondContact CE2-O 3.27Å; F196-H268 HydrophobicContact CB-CB 4.41Å; F196-H268 HydrophobicContact CD2-CB 4.18Å; F196-H268 PolarHBondContact N-ND1 3.14Å; F196-H268 VanDerWaalsContact N-ND1 3.1Å; F196-H268 PolarHBondContact O-ND1 3.3Å; F196-Y320 VanDerWaalsContact O-CE2 3.25Å; F196-Y320 WeakPolarHBondContact O-CE2 3.39Å; F196-Y320 PolarHBondContact O-OH 3.43Å; F196-Y322 HydrophobicContact CB-CD2 3.54Å; F196-Y322 HydrophobicContact CB-CE2 3.98Å; F196-Y322 HydrophobicContact CB-CG 4.21Å; F196-W324 HydrophobicContact CB-CH2 4.18Å; F196-W324 HydrophobicContact CB-CZ2 4.34Å; F196-W324 AromaticContact CD1-CH2 3.73Å; F196-W324 HydrophobicContact CD1-CH2 3.73Å; F196-W324 HydrophobicContact CD1-CZ2 4.4Å; F196-W324 HydrophobicContact CD2-CH2 4.37Å; F196-W324 HydrophobicContact CD2-CZ2 4.25Å; F196-W324 HydrophobicContact CE1-CH2 4.19Å; F196-W324 AromaticContact CG-CH2 3.82Å; F196-W324 HydrophobicContact CG-CH2 3.82Å; F196-W324 HydrophobicContact CG-CZ2 4.06Å
197	S	96.7	Very high	95.3	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.084	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.3	168.2	176.8	0	0	0	0	110.1	P221 Y222	S197-P221 WeakPolarHBondContact O-CA 3.32Å; S197-Y222 PolarHBondContact N-O 3.27Å; S197-Y222 WeakPolarHBondContact O-CD1 3.42Å; S197-Y222 PolarHBondContact O-N 3.45Å; S197-Y222 VanDerWaalsContact O-N 3.14Å
198	G	95.2	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-119	0	174.4	0	0	0	0	0	113.6	P328 S329 C331	G198-P328 CarbonylContact C-O 3.6Å; G198-P328 WeakPolarHBondContact CA-O 3.48Å; G198-P328 CarbonylContact O-C 3.07Å; G198-P328 WeakPolarHBondContact O-CB 3.33Å; G198-S329 PolarHBondContact O-N 3.35Å; G198-C331 PolarHBondContact N-SG 3.31Å; G198-C331 VanDerWaalsContact N-SG 3.44Å
199	R	92.5	Very high	94.8	Very high	89 Å²	89	55.4 Å²	55.4	34%	0.336	29%	0.287	S	S	.	.			trans	-114	11.6	-171.6	55.5	166.8	47.9	160	6.3	113.9	R201 C332	R199-R201 PolarHBondContact O-N 3.36Å; R199-C332 HydrophobicContact CG-CB 4.15Å; R199-C332 VanDerWaalsContact CZ-C 3.43Å; R199-C332 PolarHBondContact NH1-O 2.73Å; R199-C332 PolarHBondContact NH2-O 2.9Å
200	G	92.6	Very high	94.6	Very high	15 Å²	15	53 Å²	53	16%	0.155	27%	0.27	C	S	.	.			trans	-68.2	110	176.4	0	0	0	0	0	109.9	Y218 Y219	G200-Y218 WeakPolarHBondContact O-CA 3.38Å; G200-Y219 WeakPolarHBondContact O-CD2 3.24Å; G200-Y219 PolarHBondContact O-N 3.47Å
201	R	94.4	Very high	94.3	Very high	150 Å²	150	52.5 Å²	52.5	57%	0.566	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-73.2	139.4	169.3	-64.8	-169.5	93.1	-176.2	7.9	109.8	R199 K203 Y218	R199-R201 PolarHBondContact O-N 3.36Å; R201-K203 PolarHBondContact O-N 3.17Å; R201-Y218 HydrophobicContact CG-CD1 3.82Å; R201-Y218 HydrophobicContact CG-CE1 3.38Å
202	V	95.3	Very high	94	Very high	36 Å²	36	55 Å²	55	22%	0.218	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-56.8	130.5	176.9	-177.3	0	0	0	0	109.3	E210 W213 D217 Y219	V202-E210 HydrophobicContact CG1-CB 4.26Å; V202-W213 HydrophobicContact CG1-CB 3.96Å; V202-W213 HydrophobicContact CG1-CG 4.07Å; V202-W213 HydrophobicContact CG2-CD2 4.38Å; V202-W213 HydrophobicContact CG2-CG 3.89Å; V202-D217 WeakPolarHBondContact CG2-O 3.28Å; V202-D217 PolarHBondContact N-O 3Å; V202-Y219 HydrophobicContact CB-CE1 4.21Å; V202-Y219 HydrophobicContact CG1-CE1 4.12Å; V202-Y219 HydrophobicContact CG2-CD1 3.99Å; V202-Y219 HydrophobicContact CG2-CE1 3.88Å
203	K	94	Very high	93.9	Very high	105 Å²	105	56.1 Å²	56.1	46%	0.457	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-84.8	119.2	-179.1	-60	-54.3	-173.2	-171.6	0	109.8	R201 W208 R209 E210 Y219	R201-K203 PolarHBondContact O-N 3.17Å; K203-W208 HydrophobicContact CB-CB 4.37Å; K203-W208 WeakPolarHBondContact CB-O 3.26Å; K203-W208 HydrophobicContact CG-CB 4.08Å; K203-R209 CarbonylContact O-C 3.56Å; K203-R209 WeakPolarHBondContact O-CA 3.49Å; K203-E210 PolarHBondContact O-N 3.24Å; K203-Y219 PolarHBondContact N-OH 2.98Å
204	S	91.6	Very high	93.6	Very high	107 Å²	107	61.3 Å²	61.3	75%	0.748	33%	0.327	S	S	*	.			trans	-87.2	-12.5	178.1	55.6	0	0	0	0	114	R209	S204-R209 WeakPolarHBondContact O-CD 3.49Å; S204-R209 WeakPolarHBondContact O-CG 3.14Å
205	A	92.5	Very high	93.4	Very high	69 Å²	69	65.6 Å²	65.6	57%	0.57	35%	0.35	S	S	*	.	S	Bend	trans	-151.4	166.7	-175.5	0	0	0	0	0	112.8
206	G	90.8	Very high	93.2	Very high	62 Å²	62	68.8 Å²	68.8	64%	0.639	37%	0.371	S	S	*	.	S	Bend	trans	80	-173	179.2	0	0	0	0	0	113.7	W208 R209	G206-W208 PolarHBondContact O-N 3.25Å; G206-W208 VanDerWaalsContact O-N 3.1Å; G206-R209 WeakPolarHBondContact O-CB 3.3Å; G206-R209 PolarHBondContact O-N 3.11Å
207	K	86.3	Confident	92.9	Very high	149 Å²	149	73.1 Å²	73.1	65%	0.648	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.2	-176.8	67	174.3	176.6	168.3	0	115.3	Y142	Y142-K207 WeakPolarHBondContact CE1-O 3.4Å
208	W	88.9	Confident	92.9	Very high	113 Å²	113	75.7 Å²	75.7	43%	0.428	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.8	-180	-50.8	112.5	0	0	0	112.1	Y142 K203 G206 E210	Y142-W208 HydrophobicContact CD2-CZ3 4.46Å; Y142-W208 HydrophobicContact CE1-CE3 4.06Å; Y142-W208 HydrophobicContact CE1-CZ3 4.17Å; Y142-W208 HydrophobicContact CE2-CE3 4.08Å; Y142-W208 HydrophobicContact CE2-CH2 4.07Å; Y142-W208 AromaticContact CE2-CZ3 3.36Å; Y142-W208 HydrophobicContact CE2-CZ3 3.36Å; Y142-W208 AromaticContact CZ-CE3 3.42Å; Y142-W208 VanDerWaalsContact CZ-CE3 3.42Å; Y142-W208 AromaticContact CZ-CZ3 3.21Å; Y142-W208 WeakPolarHBondContact OH-CZ3 3.4Å; K203-W208 HydrophobicContact CB-CB 4.37Å; K203-W208 WeakPolarHBondContact CB-O 3.26Å; K203-W208 HydrophobicContact CG-CB 4.08Å; G206-W208 PolarHBondContact O-N 3.25Å; G206-W208 VanDerWaalsContact O-N 3.1Å; W208-E210 PolarHBondContact O-N 3.46Å
209	R	92.1	Very high	93	Very high	117 Å²	117	76.3 Å²	76.3	44%	0.442	41%	0.405	S	S	.	.			trans	-63.2	125.4	-173.1	175.3	177.2	68.1	120	-5.4	110.7	K203 S204 G206 S211 Q249	K203-R209 CarbonylContact O-C 3.56Å; K203-R209 WeakPolarHBondContact O-CA 3.49Å; S204-R209 WeakPolarHBondContact O-CD 3.49Å; S204-R209 WeakPolarHBondContact O-CG 3.14Å; G206-R209 WeakPolarHBondContact O-CB 3.3Å; G206-R209 PolarHBondContact O-N 3.11Å; R209-S211 VanDerWaalsContact CD-OG 3.27Å; R209-S211 WeakPolarHBondContact CD-OG 3.28Å; R209-S211 VanDerWaalsContact CG-OG 3.3Å; R209-S211 WeakPolarHBondContact CG-OG 3.46Å; R209-S211 PolarHBondContact NH1-OG 3.07Å; R209-Q249 PolarHBondContact O-NE2 3.47Å; R209-Q249 PolarHBondContact O-OE1 3.25Å
210	E	93.3	Very high	93.2	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.019	40%	0.403	C	S	.	.			trans	-113.3	71.4	-179.9	-163.1	65.7	-99.9	0	0	111.1	V202 K203 W208 S212 W213 Y219 W248 Q249 S250	V202-E210 HydrophobicContact CG1-CB 4.26Å; K203-E210 PolarHBondContact O-N 3.24Å; W208-E210 PolarHBondContact O-N 3.46Å; E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.28Å; E210-W213 HydrophobicContact CB-CB 4.36Å; E210-W213 HydrophobicContact CG-CB 3.75Å; E210-W213 WeakPolarHBondContact O-CB 3.27Å; E210-W213 PolarHBondContact O-N 2.78Å; E210-Y219 HydrophobicContact CB-CE1 4.2Å; E210-Y219 WeakPolarHBondContact CB-OH 3.45Å; E210-Y219 HydrophobicContact CG-CE1 4.21Å; E210-W248 VanDerWaalsContact CD-CB 3.48Å; E210-W248 HydrophobicContact CG-CB 4.15Å; E210-W248 HydrophobicContact CG-CG 4.41Å; E210-Q249 PolarHBondContact OE1-N 2.8Å; E210-Q249 WeakPolarHBondContact OE2-CA 3.48Å; E210-Q249 WeakPolarHBondContact OE2-CB 3.35Å; E210-Q249 PolarHBondContact OE2-N 3.28Å; E210-S250 PolarHBondContact OE2-N 2.89Å
211	S	91.4	Very high	93.4	Very high	74 Å²	74	75 Å²	75	52%	0.517	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.7	-173.4	-66.6	0	0	0	0	114.9	R209 W213	R209-S211 VanDerWaalsContact CD-OG 3.27Å; R209-S211 WeakPolarHBondContact CD-OG 3.28Å; R209-S211 VanDerWaalsContact CG-OG 3.3Å; R209-S211 WeakPolarHBondContact CG-OG 3.46Å; R209-S211 PolarHBondContact NH1-OG 3.07Å; S211-W213 VanDerWaalsContact C-N 3.35Å
212	S	93.4	Very high	93.5	Very high	54 Å²	54	68.8 Å²	68.8	38%	0.378	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.7	177.9	58.1	0	0	0	0	113.4	E210 D214 K246 W248	E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.28Å; S212-D214 PolarHBondContact O-N 2.92Å; S212-K246 WeakPolarHBondContact O-CE 3.28Å; S212-K246 PolarHBondContact O-NZ 2.84Å; S212-W248 PolarHBondContact O-NE1 2.71Å
213	W	95.9	Very high	93.7	Very high	23 Å²	23	67.1 Å²	67.1	9%	0.087	37%	0.368	C	S	.	.			trans	-73.9	121.4	176.6	-177.3	-85.1	0	0	0	111.8	V202 E210 S211 L215 C216 Y218 Y219 L220 W248 V253 A257	V202-W213 HydrophobicContact CG1-CB 3.96Å; V202-W213 HydrophobicContact CG1-CG 4.07Å; V202-W213 HydrophobicContact CG2-CD2 4.38Å; V202-W213 HydrophobicContact CG2-CG 3.89Å; E210-W213 HydrophobicContact CB-CB 4.36Å; E210-W213 HydrophobicContact CG-CB 3.75Å; E210-W213 WeakPolarHBondContact O-CB 3.27Å; E210-W213 PolarHBondContact O-N 2.78Å; S211-W213 VanDerWaalsContact C-N 3.35Å; W213-L215 HydrophobicContact CH2-CB 4.35Å; W213-L215 HydrophobicContact CH2-CD1 3.77Å; W213-L215 HydrophobicContact CH2-CG 4.42Å; W213-L215 HydrophobicContact CZ2-CB 3.77Å; W213-L215 HydrophobicContact CZ2-CD1 4.07Å; W213-L215 HydrophobicContact CZ2-CG 4.3Å; W213-L215 HydrophobicContact CZ3-CD1 4.11Å; W213-C216 PolarHBondContact NE1-O 2.74Å; W213-Y218 WeakPolarHBondContact CZ2-O 3.35Å; W213-Y219 AromaticContact CD2-CD1 3.93Å; W213-Y219 HydrophobicContact CD2-CD1 3.93Å; W213-Y219 HydrophobicContact CD2-CE1 4.14Å; W213-Y219 AromaticContact CE2-CD1 3.99Å; W213-Y219 AromaticContact CE3-CD1 3.96Å; W213-Y219 HydrophobicContact CE3-CD1 3.96Å; W213-Y219 HydrophobicContact CE3-CE1 4.22Å; W213-Y219 HydrophobicContact CG-CE1 4.43Å; W213-Y219 HydrophobicContact CH2-CD1 4.13Å; W213-Y219 HydrophobicContact CZ2-CD1 4.09Å; W213-Y219 HydrophobicContact CZ3-CD1 4.08Å; W213-L220 HydrophobicContact CH2-CB 4.46Å; W213-L220 HydrophobicContact CH2-CG 4.12Å; W213-L220 HydrophobicContact CZ2-CG 4.28Å; W213-W248 AromaticContact CE3-CD1 3.89Å; W213-W248 AromaticContact CE3-CD2 3.85Å; W213-W248 HydrophobicContact CE3-CD2 3.85Å; W213-W248 AromaticContact CE3-CE2 3.67Å; W213-W248 AromaticContact CE3-CG 3.97Å; W213-W248 HydrophobicContact CE3-CG 3.97Å; W213-W248 HydrophobicContact CE3-CZ2 4.19Å; W213-W248 AromaticContact CE3-NE1 3.72Å; W213-W248 HydrophobicContact CZ3-CD2 4.06Å; W213-W248 HydrophobicContact CZ3-CE3 4.27Å; W213-W248 HydrophobicContact CZ3-CH2 4.47Å; W213-W248 HydrophobicContact CZ3-CZ2 4.26Å; W213-W248 HydrophobicContact CZ3-CZ3 4.47Å; W213-V253 HydrophobicContact CE3-CG1 4.06Å; W213-V253 HydrophobicContact CH2-CG1 4.16Å; W213-V253 HydrophobicContact CZ3-CG1 3.54Å; W213-A257 HydrophobicContact CH2-CB 4.15Å; W213-A257 HydrophobicContact CZ3-CB 4.11Å
214	D	94.2	Very high	93.9	Very high	108 Å²	108	63 Å²	63	58%	0.578	35%	0.351	S	S	*	.			trans	-132.9	10	-173.1	57.1	-16.3	0	0	0	113.4	S212 K246	S212-D214 PolarHBondContact O-N 2.92Å; D214-K246 IonicContact OD1-NZ 3.53Å; D214-K246 PolarHBondContact OD1-NZ 3.2Å; D214-K246 IonicContact OD2-NZ 2.71Å; D214-K246 PolarHBondContact OD2-NZ 3.47Å
215	L	94.4	Very high	94	Very high	90 Å²	90	58.3 Å²	58.3	47%	0.471	32%	0.32	S	S	.	.	S	Bend	trans	-85.4	-39.4	-176.7	-59.2	-176	0	0	0	113.4	W213 L220 W248 A257	W213-L215 HydrophobicContact CH2-CB 4.35Å; W213-L215 HydrophobicContact CH2-CD1 3.77Å; W213-L215 HydrophobicContact CH2-CG 4.42Å; W213-L215 HydrophobicContact CZ2-CB 3.77Å; W213-L215 HydrophobicContact CZ2-CD1 4.07Å; W213-L215 HydrophobicContact CZ2-CG 4.3Å; W213-L215 HydrophobicContact CZ3-CD1 4.11Å; L215-L220 HydrophobicContact CD1-CD1 3.97Å; L215-W248 HydrophobicContact CD1-CH2 3.72Å; L215-W248 HydrophobicContact CD1-CZ2 3.81Å; L215-W248 HydrophobicContact CG-CH2 4.38Å; L215-W248 HydrophobicContact CG-CZ2 4Å; L215-A257 HydrophobicContact CD1-CB 4.35Å
216	C	93.4	Very high	94.2	Very high	67 Å²	67	55.1 Å²	55.1	45%	0.453	29%	0.294	S	S	.	.			trans	-167.8	174.4	-173	-164.3	0	0	0	0	111	W213 Y218	W213-C216 PolarHBondContact NE1-O 2.74Å; C216-Y218 VanDerWaalsContact C-N 3.31Å; C216-Y218 WeakPolarHBondContact CB-O 3.34Å
217	D	92.9	Very high	94.6	Very high	92 Å²	92	52.1 Å²	52.1	49%	0.492	26%	0.263	S	S	.	.	S	Bend	trans	-80.1	-14.3	171.6	65.9	-39.2	0	0	0	113.3	V202	V202-D217 WeakPolarHBondContact CG2-O 3.28Å; V202-D217 PolarHBondContact N-O 3Å
218	Y	95.3	Very high	95.2	Very high	65 Å²	65	45 Å²	45	26%	0.255	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-113.8	153.3	169.3	-68.2	-97.7	0	0	0	111.1	G200 R201 W213 C216	G200-Y218 WeakPolarHBondContact O-CA 3.38Å; R201-Y218 HydrophobicContact CG-CD1 3.82Å; R201-Y218 HydrophobicContact CG-CE1 3.38Å; W213-Y218 WeakPolarHBondContact CZ2-O 3.35Å; C216-Y218 VanDerWaalsContact C-N 3.31Å; C216-Y218 WeakPolarHBondContact CB-O 3.34Å
219	Y	96.8	Very high	95.6	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.051	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.3	144.7	163.9	-60.1	-53.6	0	0	0	110.3	G200 V202 K203 E210 W213 Y222 V253	G200-Y219 WeakPolarHBondContact O-CD2 3.24Å; G200-Y219 PolarHBondContact O-N 3.47Å; V202-Y219 HydrophobicContact CB-CE1 4.21Å; V202-Y219 HydrophobicContact CG1-CE1 4.12Å; V202-Y219 HydrophobicContact CG2-CD1 3.99Å; V202-Y219 HydrophobicContact CG2-CE1 3.88Å; K203-Y219 PolarHBondContact N-OH 2.98Å; E210-Y219 HydrophobicContact CB-CE1 4.2Å; E210-Y219 WeakPolarHBondContact CB-OH 3.45Å; E210-Y219 HydrophobicContact CG-CE1 4.21Å; W213-Y219 AromaticContact CD2-CD1 3.93Å; W213-Y219 HydrophobicContact CD2-CD1 3.93Å; W213-Y219 HydrophobicContact CD2-CE1 4.14Å; W213-Y219 AromaticContact CE2-CD1 3.99Å; W213-Y219 AromaticContact CE3-CD1 3.96Å; W213-Y219 HydrophobicContact CE3-CD1 3.96Å; W213-Y219 HydrophobicContact CE3-CE1 4.22Å; W213-Y219 HydrophobicContact CG-CE1 4.43Å; W213-Y219 HydrophobicContact CH2-CD1 4.13Å; W213-Y219 HydrophobicContact CZ2-CD1 4.09Å; W213-Y219 HydrophobicContact CZ3-CD1 4.08Å; Y219-Y222 HydrophobicContact CD2-CE1 4.32Å; Y219-V253 HydrophobicContact CD1-CB 4.37Å; Y219-V253 HydrophobicContact CD1-CG1 3.32Å; Y219-V253 HydrophobicContact CD1-CG2 4.09Å; Y219-V253 HydrophobicContact CD2-CG2 3.95Å; Y219-V253 HydrophobicContact CE1-CG1 3.8Å; Y219-V253 HydrophobicContact CE1-CG2 4.33Å; Y219-V253 HydrophobicContact CE2-CG2 4.23Å; Y219-V253 HydrophobicContact CG-CG1 3.78Å; Y219-V253 HydrophobicContact CG-CG2 3.88Å
220	L	96.9	Very high	96	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.288	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-65.2	154	169.9	-62.3	-179.2	0	0	0	110.2	W213 L215 Y222 A257 A260	W213-L220 HydrophobicContact CH2-CB 4.46Å; W213-L220 HydrophobicContact CH2-CG 4.12Å; W213-L220 HydrophobicContact CZ2-CG 4.28Å; L215-L220 HydrophobicContact CD1-CD1 3.97Å; L220-Y222 VanDerWaalsContact O-CD1 3.25Å; L220-Y222 WeakPolarHBondContact O-CD1 3.46Å; L220-Y222 PolarHBondContact O-N 2.85Å; L220-A257 HydrophobicContact CD1-CB 4.24Å; L220-A260 HydrophobicContact CB-CB 4.32Å; L220-A260 HydrophobicContact CD1-CB 3.66Å
221	P	97.1	Very high	96.2	Very high	21 Å²	21	33.9 Å²	33.9	14%	0.136	19%	0.19	C	C	.	.	S	Bend	trans	-52.7	126.8	-177	-27.3	34.7	0	0	0	113.8	S197 Y322 W324 P328	S197-P221 WeakPolarHBondContact O-CA 3.32Å; P221-Y322 WeakPolarHBondContact CB-OH 3.46Å; P221-Y322 VanDerWaalsContact CG-OH 3.32Å; P221-Y322 WeakPolarHBondContact CG-OH 3.33Å; P221-W324 HydrophobicContact CB-CZ3 4.48Å; P221-P328 HydrophobicContact CG-CB 3.89Å; P221-P328 HydrophobicContact CG-CG 3.62Å
222	Y	98	Very high	96.6	Very high	21 Å²	21	31.9 Å²	31.9	8%	0.082	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.6	-175.2	67.6	-73.1	0	0	0	111.1	F196 S197 Y219 L220 L224 D252 V253	F196-Y222 CarbonylContact C-O 3.58Å; F196-Y222 VanDerWaalsContact CA-O 3.27Å; F196-Y222 WeakPolarHBondContact CA-O 3.46Å; S197-Y222 PolarHBondContact N-O 3.27Å; S197-Y222 WeakPolarHBondContact O-CD1 3.42Å; S197-Y222 PolarHBondContact O-N 3.45Å; S197-Y222 VanDerWaalsContact O-N 3.14Å; Y219-Y222 HydrophobicContact CD2-CE1 4.32Å; L220-Y222 VanDerWaalsContact O-CD1 3.25Å; L220-Y222 WeakPolarHBondContact O-CD1 3.46Å; L220-Y222 PolarHBondContact O-N 2.85Å; Y222-L224 HydrophobicContact CD2-CD2 4.26Å; Y222-L224 HydrophobicContact CE2-CD2 3.53Å; Y222-D252 WeakPolarHBondContact CB-O 3.29Å; Y222-D252 HydrophobicContact CD2-CB 4.03Å; Y222-D252 HydrophobicContact CE2-CB 4.5Å; Y222-D252 WeakPolarHBondContact CE2-OD2 3.45Å; Y222-V253 HydrophobicContact CD1-CG2 4.47Å; Y222-V253 HydrophobicContact CD2-CG2 4.06Å; Y222-V253 HydrophobicContact CE1-CG2 4.23Å; Y222-V253 HydrophobicContact CE2-CG2 3.77Å; Y222-V253 HydrophobicContact CG-CG2 4.39Å
223	A	98.4	Very high	96.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.8	168.1	0	0	0	0	0	109.2	Y192 F195 F196 Y228 D252	Y192-A223 HydrophobicContact CD2-CB 4.26Å; Y192-A223 HydrophobicContact CE2-CB 3.39Å; Y192-A223 PolarHBondContact OH-N 3.29Å; Y192-A223 VanDerWaalsContact OH-N 3.16Å; F195-A223 WeakPolarHBondContact O-CA 3.5Å; F196-A223 HydrophobicContact CD2-CB 4.39Å; F196-A223 HydrophobicContact CE1-CB 4.35Å; F196-A223 HydrophobicContact CE2-CB 4.21Å; F196-A223 HydrophobicContact CZ-CB 4.19Å; A223-Y228 HydrophobicContact CB-CD1 4.45Å; A223-Y228 HydrophobicContact CB-CG 4.31Å; A223-D252 WeakPolarHBondContact O-CB 3.42Å
224	L	97.6	Very high	96.9	Very high	18 Å²	18	31 Å²	31	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.6	-176	-62.5	178.6	0	0	0	112.4	F195 Y222 G226 G227 T274 E275	F195-L224 HydrophobicContact CD1-CD1 3.63Å; F195-L224 HydrophobicContact CD1-CG 4.35Å; F195-L224 HydrophobicContact CE1-CD1 4.25Å; F195-L224 WeakPolarHBondContact O-CG 3.48Å; F195-L224 PolarHBondContact O-N 3.36Å; Y222-L224 HydrophobicContact CD2-CD2 4.26Å; Y222-L224 HydrophobicContact CE2-CD2 3.53Å; L224-G226 VanDerWaalsContact C-N 3.26Å; L224-G226 PolarHBondContact O-N 3.06Å; L224-G226 VanDerWaalsContact O-N 3.08Å; L224-G227 PolarHBondContact O-N 3.42Å; L224-T274 WeakPolarHBondContact CB-O 3.22Å; L224-E275 HydrophobicContact CD1-CB 4.07Å; L224-E275 HydrophobicContact CD1-CG 3.49Å; L224-E275 VanDerWaalsContact CD1-CG 3.49Å
225	G	94.9	Very high	97.2	Very high	9 Å²	9	25.9 Å²	25.9	9%	0.093	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-16.4	-166.3	0	0	0	0	0	117.6	K167 G227 D252	K167-G225 PolarHBondContact NZ-O 3.1Å; G225-G227 PolarHBondContact O-N 3.12Å; G225-D252 PolarHBondContact N-OD2 3.27Å
226	G	96.4	Very high	97.3	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-17.5	176	0	0	0	0	0	113.2	T172 L224	T172-G226 WeakPolarHBondContact CG2-O 3.35Å; T172-G226 PolarHBondContact OG1-O 3.42Å; L224-G226 VanDerWaalsContact C-N 3.26Å; L224-G226 PolarHBondContact O-N 3.06Å; L224-G226 VanDerWaalsContact O-N 3.08Å
227	G	98.1	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	142.3	162.8	0	0	0	0	0	113.2	K167 L224 G225 F272	K167-G227 WeakPolarHBondContact O-CA 3.37Å; L224-G227 PolarHBondContact O-N 3.42Å; G225-G227 PolarHBondContact O-N 3.12Å; G227-F272 WeakPolarHBondContact O-CD1 3.45Å
228	Y	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161	179	58.1	-104	0	0	0	110.7	L149 Y153 F166 K167 Y192 W193 A223 L230 E251 L255	L149-Y228 WeakPolarHBondContact CD1-OH 3.49Å; Y153-Y228 WeakPolarHBondContact OH-CE2 3.25Å; F166-Y228 WeakPolarHBondContact CD2-O 3.4Å; K167-Y228 HydrophobicContact CB-CD2 4.29Å; K167-Y228 HydrophobicContact CB-CE1 4.43Å; K167-Y228 HydrophobicContact CB-CE2 3.77Å; K167-Y228 HydrophobicContact CD-CD1 4.44Å; K167-Y228 HydrophobicContact CD-CE1 3.75Å; K167-Y228 HydrophobicContact CG-CE1 4.42Å; K167-Y228 HydrophobicContact CG-CE2 4.41Å; K167-Y228 PolarHBondContact N-O 3.13Å; K167-Y228 PolarHBondContact O-N 3.47Å; K167-Y228 VanDerWaalsContact O-N 3.14Å; Y192-Y228 AromaticContact CE2-CD2 3.85Å; Y192-Y228 HydrophobicContact CE2-CD2 3.85Å; Y192-Y228 AromaticContact CE2-CG 3.92Å; Y192-Y228 HydrophobicContact CE2-CG 3.92Å; W193-Y228 CarbonylContact O-C 3.57Å; W193-Y228 WeakPolarHBondContact O-CA 3.36Å; W193-Y228 WeakPolarHBondContact O-CB 3.35Å; A223-Y228 HydrophobicContact CB-CD1 4.45Å; A223-Y228 HydrophobicContact CB-CG 4.31Å; Y228-L230 HydrophobicContact CD2-CG 4.24Å; Y228-L230 HydrophobicContact CE2-CD1 4.36Å; Y228-L230 HydrophobicContact CE2-CG 4.22Å; Y228-E251 PolarHBondContact OH-OE1 2.73Å; Y228-L255 HydrophobicContact CD2-CD2 4.07Å; Y228-L255 HydrophobicContact CE1-CD2 4.13Å; Y228-L255 HydrophobicContact CE2-CD2 3.3Å; Y228-L255 WeakPolarHBondContact OH-CD2 3.4Å
229	I	98.9	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.4	-179.7	-65.6	164.5	0	0	0	110.3	F164 V165 F166 L179 L183 L191 Y192 W193 F272	F164-I229 HydrophobicContact CB-CG2 4.11Å; F164-I229 HydrophobicContact CD1-CG2 4.25Å; V165-I229 CarbonylContact O-C 3.51Å; V165-I229 WeakPolarHBondContact O-CA 3.31Å; F166-I229 HydrophobicContact CB-CG1 3.93Å; F166-I229 HydrophobicContact CD2-CD1 4.43Å; F166-I229 HydrophobicContact CD2-CG1 3.74Å; F166-I229 HydrophobicContact CG-CG1 4.21Å; L179-I229 HydrophobicContact CD2-CD1 3.93Å; L183-I229 HydrophobicContact CD1-CD1 4.15Å; L183-I229 HydrophobicContact CD2-CD1 4.35Å; L183-I229 HydrophobicContact CD2-CG2 3.95Å; L191-I229 HydrophobicContact CD2-CG2 4.46Å; Y192-I229 WeakPolarHBondContact CA-O 3.37Å; W193-I229 HydrophobicContact CB-CB 4.31Å; W193-I229 HydrophobicContact CD2-CD1 4.36Å; W193-I229 HydrophobicContact CE3-CB 4.36Å; W193-I229 HydrophobicContact CE3-CD1 3.47Å; W193-I229 VanDerWaalsContact CE3-CD1 3.47Å; W193-I229 HydrophobicContact CE3-CG1 4.46Å; W193-I229 HydrophobicContact CZ3-CD1 3.68Å; W193-I229 PolarHBondContact N-O 3.5Å; W193-I229 PolarHBondContact O-N 2.99Å; I229-F272 HydrophobicContact CD1-CZ 4.2Å
230	L	98.9	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.2	168.7	-61.6	-178.6	0	0	0	110.9	Y153 F164 V165 L191 Y192 Y228 L234 V235 L255 L259	Y153-L230 HydrophobicContact CE2-CD1 3.65Å; Y153-L230 WeakPolarHBondContact OH-CD1 3.37Å; F164-L230 CarbonylContact C-O 3.6Å; F164-L230 VanDerWaalsContact CA-O 3.32Å; F164-L230 WeakPolarHBondContact CA-O 3.43Å; V165-L230 HydrophobicContact CG1-CB 3.91Å; V165-L230 PolarHBondContact N-O 2.77Å; V165-L230 PolarHBondContact O-N 3.5Å; L191-L230 CarbonylContact O-C 3.47Å; L191-L230 VanDerWaalsContact O-CA 3.29Å; L191-L230 WeakPolarHBondContact O-CA 3.43Å; Y192-L230 HydrophobicContact CD1-CD2 4.33Å; Y192-L230 HydrophobicContact CD2-CD2 3.32Å; Y192-L230 HydrophobicContact CE2-CD2 3.88Å; Y192-L230 HydrophobicContact CG-CD2 3.58Å; Y228-L230 HydrophobicContact CD2-CG 4.24Å; Y228-L230 HydrophobicContact CE2-CD1 4.36Å; Y228-L230 HydrophobicContact CE2-CG 4.22Å; L230-L234 HydrophobicContact CB-CB 4.5Å; L230-L234 HydrophobicContact CD2-CD1 4.12Å; L230-V235 HydrophobicContact CB-CG2 4.18Å; L230-V235 HydrophobicContact CD1-CG2 4.36Å; L230-L255 HydrophobicContact CD1-CD1 4.07Å; L230-L255 HydrophobicContact CD1-CD2 3.95Å; L230-L255 HydrophobicContact CD2-CD2 4.45Å; L230-L259 HydrophobicContact CD2-CD1 4.09Å
231	S	98.8	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	156.6	161.3	50.4	0	0	0	0	111.3	K163 K190 L191 D233 L234 V235	K163-S231 WeakPolarHBondContact O-CA 3.4Å; K190-S231 PolarHBondContact N-OG 3.11Å; L191-S231 PolarHBondContact N-OG 3.38Å; L191-S231 PolarHBondContact O-N 3.26Å; S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 WeakPolarHBondContact CB-OD1 3.35Å; S231-D233 PolarHBondContact O-N 3.37Å; S231-D233 PolarHBondContact OG-OD1 3.29Å; S231-L234 PolarHBondContact O-N 3.43Å; S231-L234 VanDerWaalsContact O-N 3.14Å; S231-V235 PolarHBondContact O-N 3.31Å
232	S	98.6	Very high	98.2	Very high	31 Å²	31	26.3 Å²	26.3	22%	0.217	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-29.7	-174.9	54.6	0	0	0	0	114.6	F162 K163 L234 V235 R236	F162-S232 VanDerWaalsContact CE2-CB 3.44Å; F162-S232 WeakPolarHBondContact O-CB 3.38Å; F162-S232 PolarHBondContact O-OG 3Å; K163-S232 PolarHBondContact O-N 2.83Å; S232-L234 PolarHBondContact O-N 3.38Å; S232-V235 PolarHBondContact O-N 3.15Å; S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 PolarHBondContact O-N 2.89Å
233	D	98.4	Very high	98.1	Very high	51 Å²	51	29.3 Å²	29.3	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-65.3	-34	175	62	-17.7	0	0	0	113.3	S189 K190 S231 Y237	S189-D233 VanDerWaalsContact CA-OD2 3.28Å; S189-D233 WeakPolarHBondContact CA-OD2 3.35Å; S189-D233 WeakPolarHBondContact CB-OD2 3.48Å; S189-D233 PolarHBondContact OG-OD2 2.95Å; K190-D233 VanDerWaalsContact N-CG 3.34Å; K190-D233 PolarHBondContact N-OD1 3.06Å; K190-D233 PolarHBondContact N-OD2 3.17Å; S231-D233 VanDerWaalsContact C-N 3.27Å; S231-D233 WeakPolarHBondContact CB-OD1 3.35Å; S231-D233 PolarHBondContact O-N 3.37Å; S231-D233 PolarHBondContact OG-OD1 3.29Å; D233-Y237 WeakPolarHBondContact O-CB 3.39Å; D233-Y237 PolarHBondContact O-N 3.37Å
234	L	98.8	Very high	98	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-73.5	-37	174.3	-62.2	-171.9	0	0	0	112	L191 L230 S231 S232 R236 Y237 V238 L259 V264	L191-L234 WeakPolarHBondContact O-CD1 3.49Å; L230-L234 HydrophobicContact CB-CB 4.5Å; L230-L234 HydrophobicContact CD2-CD1 4.12Å; S231-L234 PolarHBondContact O-N 3.43Å; S231-L234 VanDerWaalsContact O-N 3.14Å; S232-L234 PolarHBondContact O-N 3.38Å; L234-R236 VanDerWaalsContact C-N 3.33Å; L234-Y237 WeakPolarHBondContact O-CB 3.36Å; L234-Y237 PolarHBondContact O-N 3.1Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 3.38Å; L234-L259 HydrophobicContact CD1-CD1 4.25Å; L234-L259 HydrophobicContact CD2-CD2 4.31Å; L234-V264 HydrophobicContact CD1-CG1 3.98Å; L234-V264 HydrophobicContact CD1-CG2 4.1Å; L234-V264 HydrophobicContact CD2-CG2 3.82Å
235	V	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-47	171.5	177.2	0	0	0	0	110.1	Y153 L156 F162 V165 L230 S231 S232 Y237 V238 H239	Y153-V235 HydrophobicContact CD1-CG1 4Å; Y153-V235 HydrophobicContact CD2-CG1 4.19Å; Y153-V235 HydrophobicContact CE1-CG2 4.4Å; Y153-V235 HydrophobicContact CE2-CG2 4.45Å; Y153-V235 HydrophobicContact CG-CG1 3.74Å; L156-V235 HydrophobicContact CD2-CG1 4.23Å; F162-V235 HydrophobicContact CE2-CB 4.45Å; F162-V235 HydrophobicContact CE2-CG2 4.05Å; F162-V235 HydrophobicContact CZ-CB 3.89Å; F162-V235 HydrophobicContact CZ-CG1 3.93Å; F162-V235 HydrophobicContact CZ-CG2 3.97Å; V165-V235 HydrophobicContact CG1-CG2 3.41Å; V165-V235 VanDerWaalsContact CG1-CG2 3.41Å; L230-V235 HydrophobicContact CB-CG2 4.18Å; L230-V235 HydrophobicContact CD1-CG2 4.36Å; S231-V235 PolarHBondContact O-N 3.31Å; S232-V235 PolarHBondContact O-N 3.15Å; V235-Y237 VanDerWaalsContact C-N 3.34Å; V235-Y237 PolarHBondContact O-N 2.99Å; V235-V238 PolarHBondContact O-N 3.09Å; V235-H239 PolarHBondContact O-N 3.16Å
236	R	98.6	Very high	98	Very high	118 Å²	118	43.3 Å²	43.3	45%	0.445	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-43.2	175.6	-179.8	170.9	-174	81.9	-1.1	112	D157 S232 L234 V238 H239 L240	D157-R236 WeakPolarHBondContact OD1-CB 3.3Å; D157-R236 IonicContact OD1-NH1 3.08Å; D157-R236 PolarHBondContact OD1-NH1 2.88Å; D157-R236 IonicContact OD2-NH1 2.71Å; D157-R236 PolarHBondContact OD2-NH1 3.11Å; D157-R236 VanDerWaalsContact OD2-NH1 3.08Å; S232-R236 WeakPolarHBondContact O-CB 3.46Å; S232-R236 PolarHBondContact O-N 2.89Å; L234-R236 VanDerWaalsContact C-N 3.33Å; R236-V238 VanDerWaalsContact C-N 3.35Å; R236-V238 PolarHBondContact O-N 3.16Å; R236-H239 PolarHBondContact O-N 3.41Å; R236-L240 HydrophobicContact CG-CD1 3.78Å; R236-L240 HydrophobicContact CG-CG 4.12Å; R236-L240 WeakPolarHBondContact O-CB 3.13Å; R236-L240 VanDerWaalsContact O-CG 3.3Å; R236-L240 WeakPolarHBondContact O-CG 3.39Å; R236-L240 PolarHBondContact O-N 2.52Å
237	Y	98.6	Very high	97.9	Very high	69 Å²	69	46.2 Å²	46.2	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-48	174.7	171.5	-96.8	0	0	0	111.6	D233 L234 V235 N241 L259 V262	D233-Y237 WeakPolarHBondContact O-CB 3.39Å; D233-Y237 PolarHBondContact O-N 3.37Å; L234-Y237 WeakPolarHBondContact O-CB 3.36Å; L234-Y237 PolarHBondContact O-N 3.1Å; V235-Y237 VanDerWaalsContact C-N 3.34Å; V235-Y237 PolarHBondContact O-N 2.99Å; Y237-N241 WeakPolarHBondContact CD2-ND2 3.2Å; Y237-N241 WeakPolarHBondContact CE2-ND2 3.48Å; Y237-N241 WeakPolarHBondContact O-CB 3.33Å; Y237-N241 PolarHBondContact O-N 3.33Å; Y237-N241 VanDerWaalsContact O-N 3.15Å; Y237-N241 PolarHBondContact O-ND2 2.79Å; Y237-L259 HydrophobicContact CD1-CD2 3.86Å; Y237-L259 HydrophobicContact CE1-CD2 4.16Å; Y237-V262 HydrophobicContact CE1-CG1 4.18Å; Y237-V262 HydrophobicContact CE1-CG2 4.37Å; Y237-V262 HydrophobicContact CE2-CG1 3.81Å
238	V	98.6	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-46.3	178.5	174	0	0	0	0	111.1	L150 Y153 L234 V235 R236 N241 A242 L245 L255 W258 L259	L150-V238 HydrophobicContact CD2-CG1 3.7Å; Y153-V238 HydrophobicContact CD2-CB 4.14Å; Y153-V238 HydrophobicContact CD2-CG1 3.97Å; L234-V238 WeakPolarHBondContact O-CG2 3.4Å; L234-V238 PolarHBondContact O-N 3.38Å; V235-V238 PolarHBondContact O-N 3.09Å; R236-V238 VanDerWaalsContact C-N 3.35Å; R236-V238 PolarHBondContact O-N 3.16Å; V238-N241 PolarHBondContact O-N 3.18Å; V238-A242 WeakPolarHBondContact O-CA 3.45Å; V238-A242 PolarHBondContact O-N 3.3Å; V238-L245 HydrophobicContact CG1-CD1 3.98Å; V238-L255 HydrophobicContact CG2-CD1 3.95Å; V238-W258 HydrophobicContact CG1-CE3 4Å; V238-W258 HydrophobicContact CG1-CZ3 3.94Å; V238-W258 HydrophobicContact CG2-CE3 4.39Å; V238-L259 HydrophobicContact CG2-CD2 4.47Å
239	H	98.6	Very high	97.5	Very high	37 Å²	37	49.4 Å²	49.4	17%	0.171	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-53.8	177.8	164.9	-133.1	0	0	0	112.2	S154 D157 Q158 V235 R236 N241 A242	S154-H239 PolarHBondContact OG-CD2 2.94Å; D157-H239 HydrophobicContact CB-CB 4.16Å; D157-H239 IonicContact OD2-CE1 3.25Å; D157-H239 IonicContact OD2-CG 2.71Å; D157-H239 IonicContact OD2-ND1 2.95Å; D157-H239 PolarHBondContact OD2-ND1 2.72Å; Q158-H239 PolarHBondContact NE2-NE2 3.24Å; V235-H239 PolarHBondContact O-N 3.16Å; R236-H239 PolarHBondContact O-N 3.41Å; H239-N241 PolarHBondContact O-N 3.46Å; H239-A242 WeakPolarHBondContact O-CB 3.31Å; H239-A242 PolarHBondContact O-N 3.08Å
240	L	98.3	Very high	97.3	Very high	102 Å²	102	50.5 Å²	50.5	53%	0.534	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-27.5	-175.9	-68	179.5	0	0	0	113.1	R236	R236-L240 HydrophobicContact CG-CD1 3.78Å; R236-L240 HydrophobicContact CG-CG 4.12Å; R236-L240 WeakPolarHBondContact O-CB 3.13Å; R236-L240 VanDerWaalsContact O-CG 3.3Å; R236-L240 WeakPolarHBondContact O-CG 3.39Å; R236-L240 PolarHBondContact O-N 2.52Å
241	N	98.3	Very high	97.2	Very high	52 Å²	52	51.1 Å²	51.1	28%	0.278	27%	0.267	S	S	.	.	H	α-helix	trans	-100.5	0.7	-178.1	-66.5	-83.2	0	0	0	113.3	Y237 V238 H239 G243 Y244 L245	Y237-N241 WeakPolarHBondContact CD2-ND2 3.2Å; Y237-N241 WeakPolarHBondContact CE2-ND2 3.48Å; Y237-N241 WeakPolarHBondContact O-CB 3.33Å; Y237-N241 PolarHBondContact O-N 3.33Å; Y237-N241 VanDerWaalsContact O-N 3.15Å; Y237-N241 PolarHBondContact O-ND2 2.79Å; V238-N241 PolarHBondContact O-N 3.18Å; H239-N241 PolarHBondContact O-N 3.46Å; N241-G243 PolarHBondContact O-N 2.86Å; N241-Y244 PolarHBondContact O-N 3.12Å; N241-L245 HydrophobicContact CB-CD2 4.35Å; N241-L245 HydrophobicContact CB-CG 4.35Å; N241-L245 WeakPolarHBondContact O-CG 3.42Å; N241-L245 PolarHBondContact O-N 2.83Å
242	A	97.2	Very high	97.2	Very high	34 Å²	34	52 Å²	52	28%	0.281	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-49.9	-36.3	-170.5	0	0	0	0	0	114.2	L150 V238 H239 Y244 L245	L150-A242 HydrophobicContact CD2-CB 4.1Å; V238-A242 WeakPolarHBondContact O-CA 3.45Å; V238-A242 PolarHBondContact O-N 3.3Å; H239-A242 WeakPolarHBondContact O-CB 3.31Å; H239-A242 PolarHBondContact O-N 3.08Å; A242-Y244 PolarHBondContact O-N 2.99Å; A242-L245 PolarHBondContact O-N 2.75Å
243	G	96.4	Very high	97.1	Very high	84 Å²	84	50.6 Å²	50.6	87%	0.866	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.9	-16.5	177.6	0	0	0	0	0	115.6	N241	N241-G243 PolarHBondContact O-N 2.86Å
244	Y	96.9	Very high	97.1	Very high	210 Å²	210	48.2 Å²	48.2	82%	0.824	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-103.1	-14	176.7	-63	-77.5	0	0	0	113	N241 A242 K246	N241-Y244 PolarHBondContact O-N 3.12Å; A242-Y244 PolarHBondContact O-N 2.99Å; Y244-K246 PolarHBondContact O-N 3.35Å
245	L	96.8	Very high	97.1	Very high	26 Å²	26	47.8 Å²	47.8	14%	0.136	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-78.9	117.2	-175.3	-62.2	-178.5	0	0	0	110.1	L150 V238 N241 A242 T247 W258	L150-L245 HydrophobicContact CD2-CD1 4.37Å; V238-L245 HydrophobicContact CG1-CD1 3.98Å; N241-L245 HydrophobicContact CB-CD2 4.35Å; N241-L245 HydrophobicContact CB-CG 4.35Å; N241-L245 WeakPolarHBondContact O-CG 3.42Å; N241-L245 PolarHBondContact O-N 2.83Å; A242-L245 PolarHBondContact O-N 2.75Å; L245-T247 PolarHBondContact O-N 3.07Å; L245-W258 HydrophobicContact CB-CD2 4.14Å; L245-W258 HydrophobicContact CB-CG 4.27Å; L245-W258 HydrophobicContact CB-CZ2 4.14Å; L245-W258 HydrophobicContact CD1-CB 4.34Å; L245-W258 HydrophobicContact CD1-CD2 3.69Å; L245-W258 HydrophobicContact CD1-CE3 3.81Å; L245-W258 HydrophobicContact CD1-CG 3.93Å; L245-W258 HydrophobicContact CD1-CZ3 4.32Å; L245-W258 HydrophobicContact CD2-CB 4Å; L245-W258 HydrophobicContact CD2-CD2 4.4Å; L245-W258 HydrophobicContact CD2-CG 3.8Å; L245-W258 HydrophobicContact CG-CD2 4.26Å; L245-W258 HydrophobicContact CG-CG 4.19Å
246	K	95.7	Very high	97.1	Very high	85 Å²	85	47.8 Å²	47.8	37%	0.37	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-64.9	128.6	170.4	-175.8	170	179.1	-177.3	0	109.4	S212 D214 Y244 W248 W258	S212-K246 WeakPolarHBondContact O-CE 3.28Å; S212-K246 PolarHBondContact O-NZ 2.84Å; D214-K246 IonicContact OD1-NZ 3.53Å; D214-K246 PolarHBondContact OD1-NZ 3.2Å; D214-K246 IonicContact OD2-NZ 2.71Å; D214-K246 PolarHBondContact OD2-NZ 3.47Å; Y244-K246 PolarHBondContact O-N 3.35Å; K246-W248 HydrophobicContact CB-CH2 4.04Å; K246-W248 HydrophobicContact CB-CZ2 4.14Å; K246-W248 HydrophobicContact CB-CZ3 4.43Å; K246-W248 HydrophobicContact CD-CH2 4.46Å; K246-W248 HydrophobicContact CD-CZ2 3.75Å; K246-W248 HydrophobicContact CG-CH2 4.35Å; K246-W248 HydrophobicContact CG-CZ2 3.97Å; K246-W248 VanDerWaalsContact O-CE3 3.3Å; K246-W248 VanDerWaalsContact O-CZ3 3.26Å; K246-W248 WeakPolarHBondContact O-CZ3 3.34Å; K246-W258 PolarHBondContact O-NE1 2.71Å
247	T	93.7	Very high	97	Very high	62 Å²	62	42.6 Å²	42.6	38%	0.38	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-92.1	131.9	178.3	55.7	0	0	0	0	111.1	T146 L147 L150 L245 W258	T146-T247 HydrophobicContact CG2-CG2 4.09Å; L147-T247 HydrophobicContact CD2-CG2 4.3Å; L150-T247 HydrophobicContact CD1-CG2 3.94Å; L245-T247 PolarHBondContact O-N 3.07Å; T247-W258 HydrophobicContact CG2-CZ2 4.39Å
248	W	95.4	Very high	97	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.061	22%	0.218	C	C	.	.			trans	-110.7	164.6	167.4	-65	-78.3	0	0	0	109.4	T146 E210 S212 W213 L215 K246 S254 A257 W258	T146-W248 VanDerWaalsContact CB-O 3.23Å; T146-W248 WeakPolarHBondContact CB-O 3.49Å; T146-W248 PolarHBondContact OG1-O 2.81Å; E210-W248 VanDerWaalsContact CD-CB 3.48Å; E210-W248 HydrophobicContact CG-CB 4.15Å; E210-W248 HydrophobicContact CG-CG 4.41Å; S212-W248 PolarHBondContact O-NE1 2.71Å; W213-W248 AromaticContact CE3-CD1 3.89Å; W213-W248 AromaticContact CE3-CD2 3.85Å; W213-W248 HydrophobicContact CE3-CD2 3.85Å; W213-W248 AromaticContact CE3-CE2 3.67Å; W213-W248 AromaticContact CE3-CG 3.97Å; W213-W248 HydrophobicContact CE3-CG 3.97Å; W213-W248 HydrophobicContact CE3-CZ2 4.19Å; W213-W248 AromaticContact CE3-NE1 3.72Å; W213-W248 HydrophobicContact CZ3-CD2 4.06Å; W213-W248 HydrophobicContact CZ3-CE3 4.27Å; W213-W248 HydrophobicContact CZ3-CH2 4.47Å; W213-W248 HydrophobicContact CZ3-CZ2 4.26Å; W213-W248 HydrophobicContact CZ3-CZ3 4.47Å; L215-W248 HydrophobicContact CD1-CH2 3.72Å; L215-W248 HydrophobicContact CD1-CZ2 3.81Å; L215-W248 HydrophobicContact CG-CH2 4.38Å; L215-W248 HydrophobicContact CG-CZ2 4Å; K246-W248 HydrophobicContact CB-CH2 4.04Å; K246-W248 HydrophobicContact CB-CZ2 4.14Å; K246-W248 HydrophobicContact CB-CZ3 4.43Å; K246-W248 HydrophobicContact CD-CH2 4.46Å; K246-W248 HydrophobicContact CD-CZ2 3.75Å; K246-W248 HydrophobicContact CG-CH2 4.35Å; K246-W248 HydrophobicContact CG-CZ2 3.97Å; K246-W248 VanDerWaalsContact O-CE3 3.3Å; K246-W248 VanDerWaalsContact O-CZ3 3.26Å; K246-W248 WeakPolarHBondContact O-CZ3 3.34Å; W248-S254 WeakPolarHBondContact CB-OG 3.41Å; W248-S254 PolarHBondContact N-OG 2.79Å; W248-S254 PolarHBondContact O-OG 2.72Å; W248-A257 HydrophobicContact CE3-CB 4.3Å; W248-A257 HydrophobicContact CH2-CB 4.07Å; W248-A257 HydrophobicContact CZ3-CB 3.59Å; W248-W258 AromaticContact CZ3-NE1 3.72Å
249	Q	93.3	Very high	97	Very high	52 Å²	52	39.8 Å²	39.8	24%	0.243	22%	0.218	C	C	.	.	S	Bend	trans	-64.7	-40.8	-178.3	-66.5	-179.2	37.8	0	0	112.3	T146 R209 E210 E251	T146-Q249 PolarHBondContact OG1-O 3.29Å; R209-Q249 PolarHBondContact O-NE2 3.47Å; R209-Q249 PolarHBondContact O-OE1 3.25Å; E210-Q249 PolarHBondContact OE1-N 2.8Å; E210-Q249 WeakPolarHBondContact OE2-CA 3.48Å; E210-Q249 WeakPolarHBondContact OE2-CB 3.35Å; E210-Q249 PolarHBondContact OE2-N 3.28Å; Q249-E251 PolarHBondContact O-N 3.15Å
250	S	95.4	Very high	96.9	Very high	22 Å²	22	39.8 Å²	39.8	15%	0.154	23%	0.225	C	C	.	.			trans	-80.7	113.3	178.8	-155.8	0	0	0	0	110.4	E210 D252 V253 S254	E210-S250 PolarHBondContact OE2-N 2.89Å; S250-D252 PolarHBondContact O-N 3Å; S250-D252 PolarHBondContact OG-OD1 3.13Å; S250-V253 PolarHBondContact O-N 2.79Å; S250-S254 WeakPolarHBondContact O-CB 3.49Å; S250-S254 PolarHBondContact O-N 3.41Å; S250-S254 PolarHBondContact O-OG 2.65Å
251	E	97	Very high	96.8	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-47.4	-177.9	174.8	-83.9	118.4	0	0	112.4	L145 T146 L149 K167 Y228 Q249 S254 L255	L145-E251 HydrophobicContact CB-CB 4.07Å; T146-E251 VanDerWaalsContact OG1-CA 3.28Å; T146-E251 WeakPolarHBondContact OG1-CA 3.43Å; T146-E251 PolarHBondContact OG1-N 3.46Å; L149-E251 HydrophobicContact CB-CG 3.59Å; L149-E251 HydrophobicContact CD1-CG 4.23Å; L149-E251 WeakPolarHBondContact CD1-OE1 3.26Å; L149-E251 HydrophobicContact CD2-CG 3.79Å; L149-E251 WeakPolarHBondContact CD2-OE1 3.47Å; L149-E251 HydrophobicContact CG-CG 4.04Å; K167-E251 WeakPolarHBondContact CE-OE2 3.36Å; K167-E251 IonicContact NZ-OE2 2.97Å; K167-E251 PolarHBondContact NZ-OE2 2.86Å; Y228-E251 PolarHBondContact OH-OE1 2.73Å; Q249-E251 PolarHBondContact O-N 3.15Å; E251-S254 WeakPolarHBondContact O-CB 3.24Å; E251-S254 PolarHBondContact O-N 3.47Å; E251-S254 VanDerWaalsContact O-N 3.16Å; E251-L255 PolarHBondContact O-N 2.03Å
252	D	97.5	Very high	96.6	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-179	60.5	-11.7	0	0	0	112.9	Y222 A223 G225 S250 S254 G256	Y222-D252 WeakPolarHBondContact CB-O 3.29Å; Y222-D252 HydrophobicContact CD2-CB 4.03Å; Y222-D252 HydrophobicContact CE2-CB 4.5Å; Y222-D252 WeakPolarHBondContact CE2-OD2 3.45Å; A223-D252 WeakPolarHBondContact O-CB 3.42Å; G225-D252 PolarHBondContact N-OD2 3.27Å; S250-D252 PolarHBondContact O-N 3Å; S250-D252 PolarHBondContact OG-OD1 3.13Å; D252-S254 VanDerWaalsContact C-N 3.35Å; D252-G256 PolarHBondContact O-N 3.45Å
253	V	97.2	Very high	96.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-43.4	171.4	171.8	0	0	0	0	110.6	W213 Y219 Y222 S250 G256 A257	W213-V253 HydrophobicContact CE3-CG1 4.06Å; W213-V253 HydrophobicContact CH2-CG1 4.16Å; W213-V253 HydrophobicContact CZ3-CG1 3.54Å; Y219-V253 HydrophobicContact CD1-CB 4.37Å; Y219-V253 HydrophobicContact CD1-CG1 3.32Å; Y219-V253 HydrophobicContact CD1-CG2 4.09Å; Y219-V253 HydrophobicContact CD2-CG2 3.95Å; Y219-V253 HydrophobicContact CE1-CG1 3.8Å; Y219-V253 HydrophobicContact CE1-CG2 4.33Å; Y219-V253 HydrophobicContact CE2-CG2 4.23Å; Y219-V253 HydrophobicContact CG-CG1 3.78Å; Y219-V253 HydrophobicContact CG-CG2 3.88Å; Y222-V253 HydrophobicContact CD1-CG2 4.47Å; Y222-V253 HydrophobicContact CD2-CG2 4.06Å; Y222-V253 HydrophobicContact CE1-CG2 4.23Å; Y222-V253 HydrophobicContact CE2-CG2 3.77Å; Y222-V253 HydrophobicContact CG-CG2 4.39Å; S250-V253 PolarHBondContact O-N 2.79Å; V253-G256 PolarHBondContact O-N 3.08Å; V253-A257 WeakPolarHBondContact O-CB 3.05Å; V253-A257 PolarHBondContact O-N 3.33Å
254	S	98.1	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-49.9	179.1	-59.3	0	0	0	0	110.7	W248 S250 E251 D252 G256 A257 W258	W248-S254 WeakPolarHBondContact CB-OG 3.41Å; W248-S254 PolarHBondContact N-OG 2.79Å; W248-S254 PolarHBondContact O-OG 2.72Å; S250-S254 WeakPolarHBondContact O-CB 3.49Å; S250-S254 PolarHBondContact O-N 3.41Å; S250-S254 PolarHBondContact O-OG 2.65Å; E251-S254 WeakPolarHBondContact O-CB 3.24Å; E251-S254 PolarHBondContact O-N 3.47Å; E251-S254 VanDerWaalsContact O-N 3.16Å; D252-S254 VanDerWaalsContact C-N 3.35Å; S254-G256 VanDerWaalsContact C-N 3.33Å; S254-G256 PolarHBondContact O-N 3.15Å; S254-A257 PolarHBondContact O-N 3.24Å; S254-A257 VanDerWaalsContact O-N 3.17Å; S254-W258 PolarHBondContact O-N 3.43Å
255	L	98.6	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-44.8	175.6	179.9	65.2	0	0	0	111.9	L149 Y153 Y192 Y228 L230 V238 E251 A257 W258 L259	L149-L255 HydrophobicContact CD2-CB 4.17Å; Y153-L255 HydrophobicContact CE2-CD1 4.41Å; Y192-L255 HydrophobicContact CE2-CD2 4.2Å; Y228-L255 HydrophobicContact CD2-CD2 4.07Å; Y228-L255 HydrophobicContact CE1-CD2 4.13Å; Y228-L255 HydrophobicContact CE2-CD2 3.3Å; Y228-L255 WeakPolarHBondContact OH-CD2 3.4Å; L230-L255 HydrophobicContact CD1-CD1 4.07Å; L230-L255 HydrophobicContact CD1-CD2 3.95Å; L230-L255 HydrophobicContact CD2-CD2 4.45Å; V238-L255 HydrophobicContact CG2-CD1 3.95Å; E251-L255 PolarHBondContact O-N 2.03Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; L255-W258 HydrophobicContact CD1-CE3 4.41Å; L255-W258 PolarHBondContact O-N 2.9Å; L255-L259 HydrophobicContact CD1-CD1 3.73Å; L255-L259 HydrophobicContact CD1-CG 4.06Å; L255-L259 HydrophobicContact CG-CD1 4.02Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.21Å; L255-L259 PolarHBondContact O-N 3Å
256	G	98.1	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-42.1	176	0	0	0	0	0	113.1	D252 V253 S254 A260	D252-G256 PolarHBondContact O-N 3.45Å; V253-G256 PolarHBondContact O-N 3.08Å; S254-G256 VanDerWaalsContact C-N 3.33Å; S254-G256 PolarHBondContact O-N 3.15Å; G256-A260 WeakPolarHBondContact O-CB 3.48Å; G256-A260 PolarHBondContact O-N 2.94Å
257	A	98.1	Very high	96.8	Very high	9 Å²	9	33.9 Å²	33.9	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-43.3	177.5	0	0	0	0	0	112.5	W213 L215 L220 W248 V253 S254 L255 L259 A260 P261	W213-A257 HydrophobicContact CH2-CB 4.15Å; W213-A257 HydrophobicContact CZ3-CB 4.11Å; L215-A257 HydrophobicContact CD1-CB 4.35Å; L220-A257 HydrophobicContact CD1-CB 4.24Å; W248-A257 HydrophobicContact CE3-CB 4.3Å; W248-A257 HydrophobicContact CH2-CB 4.07Å; W248-A257 HydrophobicContact CZ3-CB 3.59Å; V253-A257 WeakPolarHBondContact O-CB 3.05Å; V253-A257 PolarHBondContact O-N 3.33Å; S254-A257 PolarHBondContact O-N 3.24Å; S254-A257 VanDerWaalsContact O-N 3.17Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; A257-L259 VanDerWaalsContact C-N 3.26Å; A257-L259 PolarHBondContact O-N 3.21Å; A257-A260 WeakPolarHBondContact O-CB 3.33Å; A257-A260 PolarHBondContact O-N 2.91Å; A257-P261 WeakPolarHBondContact O-CD 3.45Å
258	W	98.6	Very high	97	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.038	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-33.3	177.4	-55.8	-25.6	0	0	0	112.6	T146 L149 L150 V238 L245 K246 T247 W248 S254 L255 P261	T146-W258 HydrophobicContact CG2-CH2 3.55Å; T146-W258 HydrophobicContact CG2-CZ2 3.76Å; L149-W258 HydrophobicContact CD2-CH2 4.3Å; L149-W258 HydrophobicContact CD2-CZ3 3.66Å; L150-W258 HydrophobicContact CD1-CH2 4.19Å; L150-W258 HydrophobicContact CD2-CH2 3.59Å; L150-W258 HydrophobicContact CD2-CZ2 4.48Å; L150-W258 HydrophobicContact CD2-CZ3 3.67Å; L150-W258 HydrophobicContact CG-CH2 3.85Å; L150-W258 HydrophobicContact CG-CZ3 4.31Å; V238-W258 HydrophobicContact CG1-CE3 4Å; V238-W258 HydrophobicContact CG1-CZ3 3.94Å; V238-W258 HydrophobicContact CG2-CE3 4.39Å; L245-W258 HydrophobicContact CB-CD2 4.14Å; L245-W258 HydrophobicContact CB-CG 4.27Å; L245-W258 HydrophobicContact CB-CZ2 4.14Å; L245-W258 HydrophobicContact CD1-CB 4.34Å; L245-W258 HydrophobicContact CD1-CD2 3.69Å; L245-W258 HydrophobicContact CD1-CE3 3.81Å; L245-W258 HydrophobicContact CD1-CG 3.93Å; L245-W258 HydrophobicContact CD1-CZ3 4.32Å; L245-W258 HydrophobicContact CD2-CB 4Å; L245-W258 HydrophobicContact CD2-CD2 4.4Å; L245-W258 HydrophobicContact CD2-CG 3.8Å; L245-W258 HydrophobicContact CG-CD2 4.26Å; L245-W258 HydrophobicContact CG-CG 4.19Å; K246-W258 PolarHBondContact O-NE1 2.71Å; T247-W258 HydrophobicContact CG2-CZ2 4.39Å; W248-W258 AromaticContact CZ3-NE1 3.72Å; S254-W258 PolarHBondContact O-N 3.43Å; L255-W258 HydrophobicContact CD1-CE3 4.41Å; L255-W258 PolarHBondContact O-N 2.9Å; W258-P261 WeakPolarHBondContact O-CD 2.99Å
259	L	98.3	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-89.1	-7.1	178.3	-64.3	-177.4	0	0	0	113.5	Y192 L230 L234 Y237 V238 L255 A257 V262 V264 R266	Y192-L259 HydrophobicContact CD1-CD1 3.69Å; Y192-L259 HydrophobicContact CE1-CD1 3.91Å; Y192-L259 HydrophobicContact CG-CD1 4.32Å; L230-L259 HydrophobicContact CD2-CD1 4.09Å; L234-L259 HydrophobicContact CD1-CD1 4.25Å; L234-L259 HydrophobicContact CD2-CD2 4.31Å; Y237-L259 HydrophobicContact CD1-CD2 3.86Å; Y237-L259 HydrophobicContact CE1-CD2 4.16Å; V238-L259 HydrophobicContact CG2-CD2 4.47Å; L255-L259 HydrophobicContact CD1-CD1 3.73Å; L255-L259 HydrophobicContact CD1-CG 4.06Å; L255-L259 HydrophobicContact CG-CD1 4.02Å; L255-L259 WeakPolarHBondContact O-CB 3.41Å; L255-L259 WeakPolarHBondContact O-CG 3.21Å; L255-L259 PolarHBondContact O-N 3Å; A257-L259 VanDerWaalsContact C-N 3.26Å; A257-L259 PolarHBondContact O-N 3.21Å; L259-V262 HydrophobicContact CB-CG2 4.25Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 WeakPolarHBondContact O-CG2 3.49Å; L259-V262 PolarHBondContact O-N 3.17Å; L259-V264 HydrophobicContact CB-CG2 4.33Å; L259-V264 HydrophobicContact CD2-CG2 4.44Å; L259-R266 PolarHBondContact O-NH2 2.76Å
260	A	96.7	Very high	97.4	Very high	37 Å²	37	30.1 Å²	30.1	31%	0.306	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-45.3	179.9	0	0	0	0	0	114.5	L220 G256 A257 V262	L220-A260 HydrophobicContact CB-CB 4.32Å; L220-A260 HydrophobicContact CD1-CB 3.66Å; G256-A260 WeakPolarHBondContact O-CB 3.48Å; G256-A260 PolarHBondContact O-N 2.94Å; A257-A260 WeakPolarHBondContact O-CB 3.33Å; A257-A260 PolarHBondContact O-N 2.91Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 PolarHBondContact O-N 2.9Å
261	P	94.9	Very high	97.6	Very high	109 Å²	109	32.1 Å²	32.1	71%	0.708	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-1.9	-175.5	35	-36.6	0	0	0	114.1	A257 W258	A257-P261 WeakPolarHBondContact O-CD 3.45Å; W258-P261 WeakPolarHBondContact O-CD 2.99Å
262	V	95.7	Very high	97.6	Very high	38 Å²	38	31.5 Å²	31.5	23%	0.23	17%	0.167	C	C	.	.	S	Bend	trans	-104.2	152.3	-177.9	-70.2	0	0	0	0	112	Y237 L259 A260 V264	Y237-V262 HydrophobicContact CE1-CG1 4.18Å; Y237-V262 HydrophobicContact CE1-CG2 4.37Å; Y237-V262 HydrophobicContact CE2-CG1 3.81Å; L259-V262 HydrophobicContact CB-CG2 4.25Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 WeakPolarHBondContact O-CG2 3.49Å; L259-V262 PolarHBondContact O-N 3.17Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 PolarHBondContact O-N 2.9Å; V262-V264 HydrophobicContact CB-CG2 4.44Å; V262-V264 HydrophobicContact CG2-CG2 3.63Å; V262-V264 PolarHBondContact O-N 2.8Å
263	D	95.7	Very high	97.7	Very high	120 Å²	120	30.5 Å²	30.5	64%	0.642	16%	0.162	S	C	*	.			trans	-68.4	97.6	176.8	178.9	29.7	0	0	0	110.5	K190	K190-D263 WeakPolarHBondContact CD-O 3.43Å; K190-D263 WeakPolarHBondContact CG-O 3.45Å; K190-D263 IonicContact NZ-OD2 3.99Å; K190-D263 PolarHBondContact NZ-OD2 3.4Å
264	V	97.2	Very high	97.7	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.079	16%	0.162	C	C	.	.			trans	-127	129.4	-174.8	171.2	0	0	0	0	109.7	Y192 L234 L259 V262 R266	Y192-V264 HydrophobicContact CD1-CG1 4.36Å; Y192-V264 HydrophobicContact CG-CG1 4.5Å; L234-V264 HydrophobicContact CD1-CG1 3.98Å; L234-V264 HydrophobicContact CD1-CG2 4.1Å; L234-V264 HydrophobicContact CD2-CG2 3.82Å; L259-V264 HydrophobicContact CB-CG2 4.33Å; L259-V264 HydrophobicContact CD2-CG2 4.44Å; V262-V264 HydrophobicContact CB-CG2 4.44Å; V262-V264 HydrophobicContact CG2-CG2 3.63Å; V262-V264 PolarHBondContact O-N 2.8Å; V264-R266 HydrophobicContact CG1-CG 3.96Å; V264-R266 PolarHBondContact O-N 3.4Å; V264-R266 VanDerWaalsContact O-N 3.13Å; V264-R266 PolarHBondContact O-NH1 2.84Å
265	R	97.8	Very high	97.4	Very high	96 Å²	96	31 Å²	31	36%	0.362	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	91.4	170.4	-172.2	178.5	61.7	-170	-4.9	109.9	E187 K190 Y192 T267	E187-R265 PolarHBondContact O-NH2 3.46Å; K190-R265 WeakPolarHBondContact O-CA 3.26Å; K190-R265 WeakPolarHBondContact O-CB 3.5Å; K190-R265 PolarHBondContact O-N 3.44Å; Y192-R265 PolarHBondContact N-O 3.3Å; R265-T267 PolarHBondContact O-N 3.1Å
266	R	97.9	Very high	96.9	Very high	57 Å²	57	38.6 Å²	38.6	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.4	174.4	-62.8	176.8	-179.9	72.7	3.2	110	Y192 F196 L259 V264 W324	Y192-R266 CarbonylContact O-C 3.5Å; Y192-R266 WeakPolarHBondContact O-CA 3.46Å; F196-R266 HydrophobicContact CE1-CB 4.02Å; F196-R266 HydrophobicContact CE1-CG 3.8Å; F196-R266 HydrophobicContact CE2-CB 4.12Å; F196-R266 HydrophobicContact CZ-CB 3.7Å; F196-R266 HydrophobicContact CZ-CG 3.78Å; L259-R266 PolarHBondContact O-NH2 2.76Å; V264-R266 HydrophobicContact CG1-CG 3.96Å; V264-R266 PolarHBondContact O-N 3.4Å; V264-R266 VanDerWaalsContact O-N 3.13Å; V264-R266 PolarHBondContact O-NH1 2.84Å; R266-W324 HydrophobicContact CB-CH2 3.41Å; R266-W324 VanDerWaalsContact CB-CH2 3.41Å; R266-W324 HydrophobicContact CB-CZ2 3.53Å; R266-W324 HydrophobicContact CB-CZ3 4.08Å; R266-W324 VanDerWaalsContact CD-CZ3 3.41Å; R266-W324 HydrophobicContact CG-CH2 3.99Å; R266-W324 HydrophobicContact CG-CZ3 4.38Å
267	T	98.1	Very high	96.5	Very high	37 Å²	37	44.2 Å²	44.2	23%	0.227	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.5	175.3	-56.3	0	0	0	0	108	Y192 W193 G194 F196 R265	Y192-T267 PolarHBondContact O-N 2.96Å; W193-T267 WeakPolarHBondContact CA-O 3.48Å; W193-T267 VanDerWaalsContact CD1-O 3.31Å; W193-T267 HydrophobicContact CG-CG2 4.12Å; G194-T267 PolarHBondContact N-O 3.28Å; G194-T267 VanDerWaalsContact N-O 3.09Å; F196-T267 WeakPolarHBondContact CE2-O 3.27Å; R265-T267 PolarHBondContact O-N 3.1Å
268	H	98.5	Very high	96.3	Very high	25 Å²	25	45.3 Å²	45.3	12%	0.116	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.8	171.9	176.3	89.1	0	0	0	110.3	G194 F195 F196 Y320 Y322 W324	G194-H268 WeakPolarHBondContact O-CA 3.25Å; F195-H268 AromaticContact CD2-CE1 3.49Å; F195-H268 VanDerWaalsContact CD2-CE1 3.49Å; F195-H268 WeakPolarHBondContact CD2-CE1 3.43Å; F195-H268 AromaticContact CD2-NE2 3.95Å; F195-H268 AromaticContact CE2-CE1 3.39Å; F195-H268 WeakPolarHBondContact CE2-CE1 3.42Å; F195-H268 AromaticContact CE2-NE2 3.64Å; F195-H268 AromaticContact CZ-CE1 3.85Å; F196-H268 HydrophobicContact CB-CB 4.41Å; F196-H268 HydrophobicContact CD2-CB 4.18Å; F196-H268 PolarHBondContact N-ND1 3.14Å; F196-H268 VanDerWaalsContact N-ND1 3.1Å; F196-H268 PolarHBondContact O-ND1 3.3Å; H268-Y320 AromaticContact CE1-CD2 3.87Å; H268-Y320 AromaticContact CE1-CE2 3.6Å; H268-Y320 PolarHBondContact NE2-O 2.96Å; H268-Y322 PolarHBondContact CD2-N 3.48Å; H268-Y322 VanDerWaalsContact CD2-N 3.3Å; H268-Y322 VanDerWaalsContact CG-CB 3.43Å; H268-Y322 PolarHBondContact NE2-N 3.02Å; H268-W324 HydrophobicContact CB-CZ2 4.28Å
269	D	98.5	Very high	96.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.053	22%	0.223	C	C	.	.			trans	-138.4	113.1	179.8	-167.9	-23.7	0	0	0	112.7	W193 G194 F195 R271 F272	W193-D269 VanDerWaalsContact CZ2-OD2 3.31Å; W193-D269 WeakPolarHBondContact CZ2-OD2 3.49Å; W193-D269 PolarHBondContact NE1-OD2 3.27Å; W193-D269 VanDerWaalsContact NE1-OD2 3.08Å; G194-D269 PolarHBondContact O-N 2.95Å; F195-D269 WeakPolarHBondContact CD2-O 3.43Å; D269-R271 PolarHBondContact O-N 2.91Å; D269-R271 VanDerWaalsContact O-N 3.1Å; D269-R271 WeakPolarHBondContact OD1-CB 3.23Å; D269-R271 WeakPolarHBondContact OD1-CG 3.39Å; D269-R271 IonicContact OD1-CZ 3.5Å; D269-R271 PolarHBondContact OD1-N 3.26Å; D269-R271 IonicContact OD1-NE 3.23Å; D269-R271 PolarHBondContact OD1-NE 2.61Å; D269-R271 IonicContact OD1-NH2 2.73Å; D269-R271 IonicContact OD2-CZ 2.73Å; D269-R271 IonicContact OD2-NE 3.53Å; D269-R271 PolarHBondContact OD2-NE 3.01Å; D269-R271 IonicContact OD2-NH2 2.73Å; D269-R271 PolarHBondContact OD2-NH2 2.89Å; D269-F272 HydrophobicContact CB-CD2 3.81Å; D269-F272 HydrophobicContact CB-CE2 4.16Å; D269-F272 PolarHBondContact O-N 3.45Å; D269-F272 VanDerWaalsContact O-N 3.11Å
270	P	97.9	Very high	96	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.104	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10	179.5	30.5	-37.8	0	0	0	113.9	F195 F272 R279 I321 I338	F195-P270 HydrophobicContact CE2-CB 4.27Å; P270-F272 PolarHBondContact O-N 2.61Å; P270-R279 PolarHBondContact O-NH2 2.81Å; P270-I321 HydrophobicContact CB-CD1 4.34Å; P270-I321 HydrophobicContact CG-CD1 3.68Å; P270-I338 HydrophobicContact CB-CG2 3.45Å; P270-I338 VanDerWaalsContact CB-CG2 3.45Å; P270-I338 HydrophobicContact CG-CG2 3.82Å
271	R	98.4	Very high	96	Very high	63 Å²	63	44.6 Å²	44.6	24%	0.238	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.6	174	-58.8	171.9	-65.4	166.3	9.9	113.1	E182 D269 K284 Y285 L286 V287	E182-R271 VanDerWaalsContact CD-NH2 3.29Å; E182-R271 IonicContact OE1-CZ 3.75Å; E182-R271 IonicContact OE1-NH1 3.15Å; E182-R271 PolarHBondContact OE1-NH1 2.84Å; E182-R271 IonicContact OE1-NH2 2.71Å; E182-R271 PolarHBondContact OE1-NH2 2.71Å; E182-R271 IonicContact OE2-CZ 3.79Å; E182-R271 IonicContact OE2-NH1 3.53Å; E182-R271 IonicContact OE2-NH2 3.44Å; E182-R271 PolarHBondContact OE2-NH2 2.92Å; D269-R271 PolarHBondContact O-N 2.91Å; D269-R271 VanDerWaalsContact O-N 3.1Å; D269-R271 WeakPolarHBondContact OD1-CB 3.23Å; D269-R271 WeakPolarHBondContact OD1-CG 3.39Å; D269-R271 IonicContact OD1-CZ 3.5Å; D269-R271 PolarHBondContact OD1-N 3.26Å; D269-R271 IonicContact OD1-NE 3.23Å; D269-R271 PolarHBondContact OD1-NE 2.61Å; D269-R271 IonicContact OD1-NH2 2.73Å; D269-R271 IonicContact OD2-CZ 2.73Å; D269-R271 IonicContact OD2-NE 3.53Å; D269-R271 PolarHBondContact OD2-NE 3.01Å; D269-R271 IonicContact OD2-NH2 2.73Å; D269-R271 PolarHBondContact OD2-NH2 2.89Å; R271-K284 WeakPolarHBondContact CB-O 3.46Å; R271-K284 WeakPolarHBondContact CD-O 3.05Å; R271-K284 HydrophobicContact CG-CB 4.33Å; R271-K284 WeakPolarHBondContact CG-O 3.11Å; R271-Y285 CarbonylContact O-C 3.56Å; R271-Y285 WeakPolarHBondContact O-CA 3.19Å; R271-L286 HydrophobicContact CB-CB 4.36Å; R271-L286 HydrophobicContact CB-CD1 4.21Å; R271-L286 HydrophobicContact CB-CG 3.98Å; R271-L286 PolarHBondContact O-N 2.83Å; R271-V287 PolarHBondContact O-N 3.49Å
272	F	98.7	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	92.2	166.8	-73.6	-117.8	0	0	0	108	F166 L179 W193 F195 G227 I229 D269 P270 T274 R279 L286 V287	F166-F272 HydrophobicContact CE2-CE1 4.47Å; L179-F272 HydrophobicContact CD2-CE2 4.25Å; L179-F272 HydrophobicContact CD2-CZ 3.81Å; W193-F272 HydrophobicContact CD2-CE2 4.16Å; W193-F272 HydrophobicContact CD2-CZ 4.04Å; W193-F272 AromaticContact CE2-CE2 3.56Å; W193-F272 AromaticContact CE2-CZ 3.92Å; W193-F272 HydrophobicContact CE3-CZ 4.43Å; W193-F272 HydrophobicContact CG-CZ 4.41Å; W193-F272 HydrophobicContact CH2-CE2 4.45Å; W193-F272 AromaticContact CZ2-CE2 3.76Å; W193-F272 HydrophobicContact CZ2-CE2 3.76Å; W193-F272 HydrophobicContact CZ2-CZ 4.23Å; W193-F272 AromaticContact NE1-CE2 3.58Å; F195-F272 HydrophobicContact CB-CB 3.87Å; F195-F272 VanDerWaalsContact CB-O 3.29Å; F195-F272 WeakPolarHBondContact CB-O 3.36Å; F195-F272 WeakPolarHBondContact CD2-O 3.39Å; F195-F272 WeakPolarHBondContact CG-O 3.36Å; G227-F272 WeakPolarHBondContact O-CD1 3.45Å; I229-F272 HydrophobicContact CD1-CZ 4.2Å; D269-F272 HydrophobicContact CB-CD2 3.81Å; D269-F272 HydrophobicContact CB-CE2 4.16Å; D269-F272 PolarHBondContact O-N 3.45Å; D269-F272 VanDerWaalsContact O-N 3.11Å; P270-F272 PolarHBondContact O-N 2.61Å; F272-T274 HydrophobicContact CB-CG2 4.11Å; F272-T274 HydrophobicContact CD1-CG2 4.46Å; F272-T274 PolarHBondContact O-N 3.49Å; F272-R279 VanDerWaalsContact C-NH2 3.34Å; F272-R279 PolarHBondContact O-NH2 3.35Å; F272-L286 HydrophobicContact CE2-CB 4.42Å; F272-L286 HydrophobicContact CE2-CD1 4.11Å; F272-V287 HydrophobicContact CD1-CB 3.92Å; F272-V287 HydrophobicContact CD1-CG2 3.71Å; F272-V287 HydrophobicContact CE1-CB 4.36Å; F272-V287 HydrophobicContact CE1-CG2 3.63Å; F272-V287 HydrophobicContact CG-CB 4.24Å; F272-V287 HydrophobicContact CG-CG2 4.28Å; F272-V287 HydrophobicContact CZ-CG2 4.12Å
273	D	98	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	70.1	171.8	-175	34.7	0	0	0	109.9	S278 R279 Y285 V287 T288 H289	D273-S278 WeakPolarHBondContact OD2-CA 3.42Å; D273-S278 VanDerWaalsContact OD2-CB 3.29Å; D273-S278 WeakPolarHBondContact OD2-CB 3.39Å; D273-S278 PolarHBondContact OD2-OG 3.12Å; D273-R279 VanDerWaalsContact CA-NH2 3.34Å; D273-R279 WeakPolarHBondContact OD1-CB 3.44Å; D273-R279 WeakPolarHBondContact OD1-CG 3.44Å; D273-R279 IonicContact OD1-CZ 3.08Å; D273-R279 PolarHBondContact OD1-N 2.81Å; D273-R279 IonicContact OD1-NE 3.88Å; D273-R279 PolarHBondContact OD2-N 3.42Å; D273-R279 VanDerWaalsContact OD2-N 3.11Å; D273-Y285 HydrophobicContact CB-CD1 4.43Å; D273-Y285 HydrophobicContact CB-CD2 4.01Å; D273-Y285 HydrophobicContact CB-CE1 4.25Å; D273-Y285 HydrophobicContact CB-CE2 3.79Å; D273-Y285 HydrophobicContact CB-CG 4.33Å; D273-V287 PolarHBondContact N-O 3.5Å; D273-T288 HydrophobicContact CB-CG2 4.43Å; D273-H289 PolarHBondContact O-N 2.89Å; D273-H289 VanDerWaalsContact O-O 3.05Å
274	T	97.1	Very high	96.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	19%	0.191	C	C	.	.			trans	-113.9	15.1	-171.7	58.4	0	0	0	0	113.4	F195 L224 F272 V287	F195-T274 WeakPolarHBondContact CB-OG1 3.33Å; L224-T274 WeakPolarHBondContact CB-O 3.22Å; F272-T274 HydrophobicContact CB-CG2 4.11Å; F272-T274 HydrophobicContact CD1-CG2 4.46Å; F272-T274 PolarHBondContact O-N 3.49Å; T274-V287 HydrophobicContact CG2-CB 4.27Å; T274-V287 HydrophobicContact CG2-CG1 3.69Å
275	E	92.1	Very high	96.3	Very high	8 Å²	8	41 Å²	41	4%	0.037	19%	0.188	C	C	.	.	S	Bend	trans	-65	163.2	171.7	-69	-172.1	61	0	0	112.2	F195 L224 K277 R279 H289 R317 R334	F195-E275 HydrophobicContact CD1-CG 4.04Å; F195-E275 HydrophobicContact CE1-CG 3.76Å; L224-E275 HydrophobicContact CD1-CB 4.07Å; L224-E275 HydrophobicContact CD1-CG 3.49Å; L224-E275 VanDerWaalsContact CD1-CG 3.49Å; E275-K277 PolarHBondContact O-N 3.33Å; E275-R279 IonicContact OE2-CZ 2.7Å; E275-R279 IonicContact OE2-NH1 3.77Å; E275-R279 PolarHBondContact OE2-NH1 3.28Å; E275-H289 PolarHBondContact O-ND1 2.94Å; E275-R317 IonicContact OE1-CZ 3.95Å; E275-R317 IonicContact OE1-NH1 3.44Å; E275-R317 PolarHBondContact OE1-NH1 3.32Å; E275-R317 IonicContact OE1-NH2 3.64Å; E275-R334 VanDerWaalsContact CD-NH2 3.33Å; E275-R334 IonicContact OE1-CZ 3.39Å; E275-R334 IonicContact OE1-NH1 2.78Å; E275-R334 IonicContact OE1-NH2 3.85Å; E275-R334 PolarHBondContact OE1-NH2 3.31Å; E275-R334 IonicContact OE2-CZ 2.72Å; E275-R334 IonicContact OE2-NH1 2.72Å; E275-R334 PolarHBondContact OE2-NH1 2.96Å; E275-R334 IonicContact OE2-NH2 3.75Å; E275-R334 PolarHBondContact OE2-NH2 3.23Å
276	Y	88.4	Confident	96.4	Very high	159 Å²	159	36.6 Å²	36.6	62%	0.624	17%	0.172	S	C	*	.	S	Bend	trans	-60.2	-19.5	176.1	81.1	-83.6	0	0	0	113.9
277	K	90.8	Very high	96.4	Very high	119 Å²	119	33.9 Å²	33.9	52%	0.517	16%	0.161	S	C	.	.	S	Bend	trans	-133.6	122.4	172.9	-85.2	179	-178.3	-178.1	0	107.6	E275 R317	E275-K277 PolarHBondContact O-N 3.33Å; K277-R317 PolarHBondContact O-NH1 3.32Å
278	S	92.5	Very high	96.4	Very high	31 Å²	31	32.1 Å²	32.1	22%	0.217	15%	0.151	C	C	.	.			trans	-52.4	146.9	176.2	171.4	0	0	0	0	111.9	D273 G280	D273-S278 WeakPolarHBondContact OD2-CA 3.42Å; D273-S278 VanDerWaalsContact OD2-CB 3.29Å; D273-S278 WeakPolarHBondContact OD2-CB 3.39Å; D273-S278 PolarHBondContact OD2-OG 3.12Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact OG-N 3.33Å; S278-G280 PolarHBondContact OG-O 2.55Å; S278-G280 VanDerWaalsContact OG-O 3.07Å
279	R	95.3	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.			trans	-83.7	-2.8	172.2	-65.4	-175.7	-69	-103.6	6.3	112.9	P270 F272 D273 E275 Y285 L316 R317 S319	P270-R279 PolarHBondContact O-NH2 2.81Å; F272-R279 VanDerWaalsContact C-NH2 3.34Å; F272-R279 PolarHBondContact O-NH2 3.35Å; D273-R279 VanDerWaalsContact CA-NH2 3.34Å; D273-R279 WeakPolarHBondContact OD1-CB 3.44Å; D273-R279 WeakPolarHBondContact OD1-CG 3.44Å; D273-R279 IonicContact OD1-CZ 3.08Å; D273-R279 PolarHBondContact OD1-N 2.81Å; D273-R279 IonicContact OD1-NE 3.88Å; D273-R279 PolarHBondContact OD2-N 3.42Å; D273-R279 VanDerWaalsContact OD2-N 3.11Å; E275-R279 IonicContact OE2-CZ 2.7Å; E275-R279 IonicContact OE2-NH1 3.77Å; E275-R279 PolarHBondContact OE2-NH1 3.28Å; R279-Y285 WeakPolarHBondContact CB-OH 3.28Å; R279-L316 PolarHBondContact O-N 2.97Å; R279-R317 HydrophobicContact CG-CB 4.42Å; R279-S319 PolarHBondContact NE-OG 3.47Å
280	G	95.4	Very high	96.2	Very high	11 Å²	11	35.4 Å²	35.4	11%	0.113	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.8	-139.7	178.7	0	0	0	0	0	111	S278 V314	S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact OG-N 3.33Å; S278-G280 PolarHBondContact OG-O 2.55Å; S278-G280 VanDerWaalsContact OG-O 3.07Å; G280-V314 CarbonylContact C-O 3.6Å; G280-V314 VanDerWaalsContact CA-O 3.27Å; G280-V314 WeakPolarHBondContact CA-O 3.36Å
281	C	96.5	Very high	96.1	Very high	22 Å²	22	35.3 Å²	35.3	15%	0.149	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.7	174.8	-159.9	0	0	0	0	110.1	K299 C310 E313 V314	C281-K299 PolarHBondContact SG-NZ 2.78Å; C281-K299 VanDerWaalsContact SG-NZ 3.35Å; C281-C310 VanDerWaalsContact CA-SG 3.57Å; C281-C310 HydrophobicContact CB-CB 3.83Å; C281-C310 WeakPolarHBondContact CB-SG 3.4Å; C281-C310 VanDerWaalsContact SG-CA 3.53Å; C281-C310 WeakPolarHBondContact SG-CB 3.47Å; C281-C310 CovalentContact SG-SG 2.03Å; C281-C310 PolarHBondContact SG-SG 3.1Å; C281-E313 CarbonylContact O-C 3.08Å; C281-E313 VanDerWaalsContact O-CA 3.22Å; C281-E313 WeakPolarHBondContact O-CA 3.41Å; C281-V314 PolarHBondContact N-O 3.07Å; C281-V314 PolarHBondContact O-N 3.3Å
282	N	97.5	Very high	96.1	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	17%	0.166	C	C	.	.			trans	-129.4	137.1	171.8	-169	-82.6	0	0	0	110	K284 Y285 C310 E313	N282-K284 PolarHBondContact O-N 2.59Å; N282-K284 VanDerWaalsContact O-N 3.13Å; N282-K284 WeakPolarHBondContact OD1-CA 3.47Å; N282-K284 WeakPolarHBondContact OD1-CB 3.28Å; N282-K284 VanDerWaalsContact OD1-CG 3.31Å; N282-K284 WeakPolarHBondContact OD1-CG 2.98Å; N282-K284 PolarHBondContact OD1-N 2.98Å; N282-Y285 HydrophobicContact CB-CD1 3.87Å; N282-Y285 HydrophobicContact CB-CD2 3.95Å; N282-Y285 HydrophobicContact CB-CE1 3.69Å; N282-Y285 HydrophobicContact CB-CE2 3.78Å; N282-Y285 HydrophobicContact CB-CG 4Å; N282-Y285 VanDerWaalsContact N-CE2 3.33Å; N282-Y285 WeakPolarHBondContact O-CB 3.29Å; N282-Y285 PolarHBondContact O-N 3.21Å; N282-C310 PolarHBondContact N-SG 3.31Å; N282-E313 WeakPolarHBondContact CA-OE1 3.49Å; N282-E313 VanDerWaalsContact CG-OE1 3.3Å; N282-E313 PolarHBondContact ND2-OE1 3.08Å; N282-E313 VanDerWaalsContact ND2-OE1 3.15Å; N282-E313 PolarHBondContact OD1-OE1 3.21Å
283	N	97.8	Very high	96.1	Very high	43 Å²	43	35.9 Å²	35.9	23%	0.23	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.5	-179.5	-72.1	-43.8	0	0	0	113.3	R175 R308 L309 C310 E313	R175-N283 PolarHBondContact NH1-O 3.11Å; R175-N283 PolarHBondContact NH2-O 2.89Å; N283-R308 WeakPolarHBondContact OD1-CB 3.44Å; N283-L309 PolarHBondContact OD1-N 2.86Å; N283-C310 PolarHBondContact OD1-N 2.84Å; N283-E313 WeakPolarHBondContact CB-OE1 3.44Å; N283-E313 PolarHBondContact N-OE1 3.17Å; N283-E313 WeakPolarHBondContact ND2-CG 3.49Å; N283-E313 PolarHBondContact ND2-OE1 2.97Å
284	K	97.3	Very high	96.1	Very high	129 Å²	129	41.7 Å²	41.7	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.5	173.4	-57	175.5	179.7	176.5	0	112.9	R175 R271 N282 L286 P339	R175-K284 PolarHBondContact NH2-O 3.07Å; R271-K284 WeakPolarHBondContact CB-O 3.46Å; R271-K284 WeakPolarHBondContact CD-O 3.05Å; R271-K284 HydrophobicContact CG-CB 4.33Å; R271-K284 WeakPolarHBondContact CG-O 3.11Å; N282-K284 PolarHBondContact O-N 2.59Å; N282-K284 VanDerWaalsContact O-N 3.13Å; N282-K284 WeakPolarHBondContact OD1-CA 3.47Å; N282-K284 WeakPolarHBondContact OD1-CB 3.28Å; N282-K284 VanDerWaalsContact OD1-CG 3.31Å; N282-K284 WeakPolarHBondContact OD1-CG 2.98Å; N282-K284 PolarHBondContact OD1-N 2.98Å; K284-L286 PolarHBondContact O-N 3.06Å; K284-P339 HydrophobicContact CD-CG 4.02Å
285	Y	98.4	Very high	96.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.008	22%	0.217	C	C	.	.			trans	-60.3	132.7	-178.4	-68.1	-21.3	0	0	0	112.2	R175 R271 D273 R279 N282 T288 P339	R175-Y285 PolarHBondContact NE-O 2.78Å; R175-Y285 PolarHBondContact NH2-O 2.92Å; R271-Y285 CarbonylContact O-C 3.56Å; R271-Y285 WeakPolarHBondContact O-CA 3.19Å; D273-Y285 HydrophobicContact CB-CD1 4.43Å; D273-Y285 HydrophobicContact CB-CD2 4.01Å; D273-Y285 HydrophobicContact CB-CE1 4.25Å; D273-Y285 HydrophobicContact CB-CE2 3.79Å; D273-Y285 HydrophobicContact CB-CG 4.33Å; R279-Y285 WeakPolarHBondContact CB-OH 3.28Å; N282-Y285 HydrophobicContact CB-CD1 3.87Å; N282-Y285 HydrophobicContact CB-CD2 3.95Å; N282-Y285 HydrophobicContact CB-CE1 3.69Å; N282-Y285 HydrophobicContact CB-CE2 3.78Å; N282-Y285 HydrophobicContact CB-CG 4Å; N282-Y285 VanDerWaalsContact N-CE2 3.33Å; N282-Y285 WeakPolarHBondContact O-CB 3.29Å; N282-Y285 PolarHBondContact O-N 3.21Å; Y285-T288 HydrophobicContact CD2-CG2 3.53Å; Y285-T288 HydrophobicContact CG-CG2 3.95Å; Y285-P339 HydrophobicContact CD1-CB 4.4Å; Y285-P339 HydrophobicContact CE1-CB 3.96Å; Y285-P339 WeakPolarHBondContact CE1-OXT 3.34Å; Y285-P339 PolarHBondContact OH-OXT 3.06Å
286	L	98.6	Very high	96.4	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.216	C	C	.	.	S	Bend	trans	-93.3	-37.6	174.4	-65.9	174.6	0	0	0	110.6	A174 R175 L178 L179 W193 R271 F272 K284	A174-L286 CarbonylContact C-O 3.51Å; A174-L286 WeakPolarHBondContact CA-O 3.38Å; R175-L286 PolarHBondContact N-O 2.9Å; L178-L286 HydrophobicContact CB-CD2 3.67Å; L178-L286 HydrophobicContact CD1-CD2 4.11Å; L179-L286 HydrophobicContact CD2-CB 3.92Å; L179-L286 HydrophobicContact CD2-CD1 4.03Å; L179-L286 HydrophobicContact CD2-CG 4.44Å; L179-L286 HydrophobicContact CG-CB 4.34Å; W193-L286 HydrophobicContact CH2-CD1 4.12Å; W193-L286 HydrophobicContact CZ2-CD1 3.88Å; R271-L286 HydrophobicContact CB-CB 4.36Å; R271-L286 HydrophobicContact CB-CD1 4.21Å; R271-L286 HydrophobicContact CB-CG 3.98Å; R271-L286 PolarHBondContact O-N 2.83Å; F272-L286 HydrophobicContact CE2-CB 4.42Å; F272-L286 HydrophobicContact CE2-CD1 4.11Å; K284-L286 PolarHBondContact O-N 3.06Å
287	V	98.7	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.4	-179.8	-176.6	0	0	0	0	108.2	F166 T172 F173 A174 L179 R271 F272 D273 T274	F166-V287 HydrophobicContact CE2-CG1 4.38Å; F166-V287 HydrophobicContact CE2-CG2 3.9Å; F166-V287 HydrophobicContact CZ-CG1 3.94Å; F166-V287 HydrophobicContact CZ-CG2 3.73Å; T172-V287 HydrophobicContact CG2-CG1 3.44Å; T172-V287 VanDerWaalsContact CG2-CG1 3.44Å; F173-V287 CarbonylContact O-C 3.51Å; F173-V287 WeakPolarHBondContact O-CA 3.44Å; A174-V287 HydrophobicContact CB-CG2 4.38Å; L179-V287 HydrophobicContact CD1-CG2 3.98Å; L179-V287 HydrophobicContact CD2-CG2 4.49Å; R271-V287 PolarHBondContact O-N 3.49Å; F272-V287 HydrophobicContact CD1-CB 3.92Å; F272-V287 HydrophobicContact CD1-CG2 3.71Å; F272-V287 HydrophobicContact CE1-CB 4.36Å; F272-V287 HydrophobicContact CE1-CG2 3.63Å; F272-V287 HydrophobicContact CG-CB 4.24Å; F272-V287 HydrophobicContact CG-CG2 4.28Å; F272-V287 HydrophobicContact CZ-CG2 4.12Å; D273-V287 PolarHBondContact N-O 3.5Å; T274-V287 HydrophobicContact CG2-CB 4.27Å; T274-V287 HydrophobicContact CG2-CG1 3.69Å
288	T	98.1	Very high	97.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.4	176.9	60.2	0	0	0	0	110.9	F173 D273 Y285 Q291 K299 L309	F173-T288 PolarHBondContact N-O 2.95Å; F173-T288 PolarHBondContact O-N 3.08Å; D273-T288 HydrophobicContact CB-CG2 4.43Å; Y285-T288 HydrophobicContact CD2-CG2 3.53Å; Y285-T288 HydrophobicContact CG-CG2 3.95Å; T288-Q291 VanDerWaalsContact O-CG 3.24Å; T288-Q291 WeakPolarHBondContact O-CG 3.29Å; T288-Q291 PolarHBondContact OG1-NE2 2.61Å; T288-K299 WeakPolarHBondContact OG1-CE 3.37Å; T288-L309 HydrophobicContact CG2-CD2 4.16Å
289	H	97.5	Very high	97.5	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.9	179.9	157.2	-80.6	0	0	0	109.5	D169 D171 D273 E275	D169-H289 IonicContact OD2-NE2 3.52Å; D171-H289 IonicContact OD1-CD2 3.3Å; D171-H289 PolarHBondContact OD1-CD2 3.33Å; D171-H289 IonicContact OD1-NE2 2.64Å; D273-H289 PolarHBondContact O-N 2.89Å; D273-H289 VanDerWaalsContact O-O 3.05Å; E275-H289 PolarHBondContact O-ND1 2.94Å
290	K	95.1	Very high	97.6	Very high	94 Å²	94	39 Å²	39	41%	0.409	20%	0.196	S	C	.	.	S	Bend	cis	-84.8	150.9	-4.2	-68.2	175.7	172.4	-66.2	0	110.9	D171	D171-K290 CarbonylContact O-C 3.54Å; D171-K290 WeakPolarHBondContact O-CA 3.46Å; D171-K290 IonicContact OD1-NZ 3.55Å; D171-K290 WeakPolarHBondContact OD2-CD 3.4Å; D171-K290 WeakPolarHBondContact OD2-CG 3.48Å; D171-K290 IonicContact OD2-NZ 3.55Å; D171-K290 PolarHBondContact OD2-NZ 3.25Å
291	Q	96.8	Very high	97.8	Very high	15 Å²	15	43.6 Å²	43.6	7%	0.07	21%	0.214	C	C	.	.			trans	-126.1	130.1	178.8	-56.2	-59.9	-57.2	0	0	109.2	D171 F173 T288 D295 M296	D171-Q291 PolarHBondContact O-N 2.78Å; F173-Q291 HydrophobicContact CB-CG 3.92Å; T288-Q291 VanDerWaalsContact O-CG 3.24Å; T288-Q291 WeakPolarHBondContact O-CG 3.29Å; T288-Q291 PolarHBondContact OG1-NE2 2.61Å; Q291-D295 HydrophobicContact CB-CB 4.11Å; Q291-M296 HydrophobicContact CB-CE 3.91Å; Q291-M296 HydrophobicContact CB-CG 3.82Å
292	S	97.7	Very high	97.8	Very high	45 Å²	45	42.8 Å²	42.8	32%	0.315	21%	0.209	S	C	.	.			trans	-71.4	172.6	165.6	81.9	0	0	0	0	110.9	E294 D295 M296	S292-E294 WeakPolarHBondContact CB-OE2 3.38Å; S292-E294 PolarHBondContact O-N 3.47Å; S292-E294 PolarHBondContact OG-N 3.27Å; S292-E294 PolarHBondContact OG-OE2 3Å; S292-D295 PolarHBondContact N-OD2 2.76Å; S292-D295 PolarHBondContact O-N 2.89Å; S292-D295 PolarHBondContact OG-N 3.04Å; S292-D295 VanDerWaalsContact OG-N 3.08Å; S292-D295 PolarHBondContact OG-OD2 3.44Å; S292-M296 WeakPolarHBondContact O-CG 3.27Å; S292-M296 PolarHBondContact O-N 2.84Å; S292-M296 VanDerWaalsContact O-N 3.1Å
293	L	98.4	Very high	97.8	Very high	30 Å²	30	43.5 Å²	43.5	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-39.6	174	-53	179.2	0	0	0	110.6	E86 R87 I90 M296 L297	E86-L293 HydrophobicContact CG-CD1 3.59Å; E86-L293 WeakPolarHBondContact OE1-CD1 3.22Å; R87-L293 HydrophobicContact CG-CD2 4.08Å; I90-L293 HydrophobicContact CB-CD2 4.05Å; I90-L293 HydrophobicContact CG1-CB 4.37Å; I90-L293 HydrophobicContact CG2-CD2 3.47Å; I90-L293 VanDerWaalsContact CG2-CD2 3.47Å; L293-M296 PolarHBondContact O-N 2.89Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.23Å
294	E	98.3	Very high	97.8	Very high	122 Å²	122	48.2 Å²	48.2	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-65.8	-43.4	177.3	-57.8	71.8	-154	0	0	111.4	S292 M296 L297 E298	S292-E294 WeakPolarHBondContact CB-OE2 3.38Å; S292-E294 PolarHBondContact O-N 3.47Å; S292-E294 PolarHBondContact OG-N 3.27Å; S292-E294 PolarHBondContact OG-OE2 3Å; E294-M296 VanDerWaalsContact C-N 3.32Å; E294-M296 PolarHBondContact O-N 2.89Å; E294-L297 PolarHBondContact O-N 2.88Å; E294-E298 WeakPolarHBondContact O-CB 3.36Å; E294-E298 PolarHBondContact O-N 2.64Å
295	D	97.6	Very high	97.8	Very high	68 Å²	68	50 Å²	50	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-43.4	176.9	-64.6	-32.7	0	0	0	111	Q291 S292 E298 K299	Q291-D295 HydrophobicContact CB-CB 4.11Å; S292-D295 PolarHBondContact N-OD2 2.76Å; S292-D295 PolarHBondContact O-N 2.89Å; S292-D295 PolarHBondContact OG-N 3.04Å; S292-D295 VanDerWaalsContact OG-N 3.08Å; S292-D295 PolarHBondContact OG-OD2 3.44Å; D295-E298 PolarHBondContact O-N 2.71Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.27Å; D295-K299 WeakPolarHBondContact O-CG 3.42Å; D295-K299 PolarHBondContact O-N 3.28Å
296	M	98.4	Very high	97.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-42.9	177.9	-67.1	-168.5	-166.3	0	0	111.8	I90 I91 T94 T172 F173 Q291 S292 L293 E294 H300	I90-M296 HydrophobicContact CG1-CB 4.33Å; I90-M296 HydrophobicContact CG2-SD 3.6Å; I90-M296 VanDerWaalsContact CG2-SD 3.6Å; I91-M296 HydrophobicContact CG1-CE 4.34Å; I91-M296 HydrophobicContact CG1-SD 3.88Å; T94-M296 HydrophobicContact CG2-CB 4.43Å; T172-M296 VanDerWaalsContact O-CE 3.3Å; T172-M296 WeakPolarHBondContact O-CE 3.46Å; F173-M296 HydrophobicContact CB-CG 4.37Å; F173-M296 HydrophobicContact CD2-CB 3.95Å; F173-M296 HydrophobicContact CD2-CG 4.01Å; F173-M296 WeakPolarHBondContact CE2-O 3.45Å; Q291-M296 HydrophobicContact CB-CE 3.91Å; Q291-M296 HydrophobicContact CB-CG 3.82Å; S292-M296 WeakPolarHBondContact O-CG 3.27Å; S292-M296 PolarHBondContact O-N 2.84Å; S292-M296 VanDerWaalsContact O-N 3.1Å; L293-M296 PolarHBondContact O-N 2.89Å; E294-M296 VanDerWaalsContact C-N 3.32Å; E294-M296 PolarHBondContact O-N 2.89Å; M296-H300 WeakPolarHBondContact O-CB 3.42Å; M296-H300 PolarHBondContact O-N 2.85Å
297	L	98.3	Very high	97.6	Very high	65 Å²	65	55.7 Å²	55.7	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-48.6	175.6	-78.1	170.5	0	0	0	111.9	I90 T94 L293 E294 K299 H300 Q301	I90-L297 HydrophobicContact CD1-CD1 3.75Å; I90-L297 HydrophobicContact CD1-CD2 3.49Å; I90-L297 VanDerWaalsContact CD1-CD2 3.49Å; I90-L297 HydrophobicContact CD1-CG 3.41Å; I90-L297 VanDerWaalsContact CD1-CG 3.41Å; I90-L297 HydrophobicContact CG1-CD2 4.44Å; I90-L297 HydrophobicContact CG1-CG 4.07Å; T94-L297 HydrophobicContact CG2-CD2 3.99Å; T94-L297 HydrophobicContact CG2-CG 4.49Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.23Å; E294-L297 PolarHBondContact O-N 2.88Å; L297-K299 PolarHBondContact O-N 2.66Å; L297-H300 PolarHBondContact O-N 3.44Å; L297-Q301 WeakPolarHBondContact O-CB 3.35Å; L297-Q301 VanDerWaalsContact O-CG 3.29Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.22Å
298	E	98	Very high	97.5	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-45.5	-178.2	-174.1	179.6	81	0	0	110.9	E294 D295 H300 Q301 T302	E294-E298 WeakPolarHBondContact O-CB 3.36Å; E294-E298 PolarHBondContact O-N 2.64Å; D295-E298 PolarHBondContact O-N 2.71Å; E298-H300 PolarHBondContact O-N 2.81Å; E298-Q301 PolarHBondContact O-N 2.71Å; E298-T302 WeakPolarHBondContact O-CB 3.43Å; E298-T302 PolarHBondContact O-N 3.31Å; E298-T302 PolarHBondContact O-OG1 3.14Å
299	K	98.2	Very high	97.4	Very high	11 Å²	11	60.3 Å²	60.3	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-46.6	175.5	-76.9	174.2	179.1	-68.1	0	111.6	F173 C281 T288 D295 L297 T302 L303 L309	F173-K299 HydrophobicContact CB-CD 4.23Å; F173-K299 HydrophobicContact CD1-CB 4.42Å; F173-K299 HydrophobicContact CD1-CD 4.03Å; F173-K299 HydrophobicContact CD2-CB 4.24Å; F173-K299 HydrophobicContact CD2-CD 4.31Å; F173-K299 HydrophobicContact CE1-CB 4.11Å; F173-K299 HydrophobicContact CE1-CD 4.5Å; F173-K299 HydrophobicContact CE2-CB 3.89Å; F173-K299 HydrophobicContact CG-CB 4.49Å; F173-K299 HydrophobicContact CG-CD 3.94Å; F173-K299 HydrophobicContact CZ-CB 3.83Å; C281-K299 PolarHBondContact SG-NZ 2.78Å; C281-K299 VanDerWaalsContact SG-NZ 3.35Å; T288-K299 WeakPolarHBondContact OG1-CE 3.37Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.27Å; D295-K299 WeakPolarHBondContact O-CG 3.42Å; D295-K299 PolarHBondContact O-N 3.28Å; L297-K299 PolarHBondContact O-N 2.66Å; K299-T302 PolarHBondContact O-N 3.31Å; K299-L303 WeakPolarHBondContact O-CB 3.25Å; K299-L303 WeakPolarHBondContact O-CG 3.42Å; K299-L303 PolarHBondContact O-N 3.05Å; K299-L309 HydrophobicContact CB-CD1 3.97Å; K299-L309 HydrophobicContact CD-CD1 4.1Å; K299-L309 HydrophobicContact CG-CD1 4.01Å; K299-L309 HydrophobicContact CG-CG 4.35Å
300	H	98	Very high	97.4	Very high	30 Å²	30	60 Å²	60	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-47.6	179.9	-174.4	73.7	0	0	0	112.1	T94 F173 M296 L297 E298 T302 L303 Q304	T94-H300 HydrophobicContact CG2-CB 3.82Å; T94-H300 PolarHBondContact O-CE1 3.01Å; T94-H300 PolarHBondContact O-ND1 3.21Å; F173-H300 HydrophobicContact CE2-CB 4.2Å; F173-H300 HydrophobicContact CZ-CB 4.4Å; M296-H300 WeakPolarHBondContact O-CB 3.42Å; M296-H300 PolarHBondContact O-N 2.85Å; L297-H300 PolarHBondContact O-N 3.44Å; E298-H300 PolarHBondContact O-N 2.81Å; H300-T302 VanDerWaalsContact C-N 3.34Å; H300-T302 PolarHBondContact O-N 2.82Å; H300-L303 PolarHBondContact O-N 3.47Å; H300-Q304 VanDerWaalsContact NE2-CD 3.33Å; H300-Q304 PolarHBondContact NE2-NE2 3.17Å; H300-Q304 WeakPolarHBondContact O-CG 3.26Å; H300-Q304 PolarHBondContact O-N 2.81Å
301	Q	97.9	Very high	97.4	Very high	108 Å²	108	60.8 Å²	60.8	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-40.2	178.7	-70.7	173	-1.8	0	0	111.9	L297 E298 Q304 R305	L297-Q301 WeakPolarHBondContact O-CB 3.35Å; L297-Q301 VanDerWaalsContact O-CG 3.29Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.22Å; E298-Q301 PolarHBondContact O-N 2.71Å; Q301-Q304 PolarHBondContact O-N 3.27Å; Q301-R305 VanDerWaalsContact O-CB 3.31Å; Q301-R305 WeakPolarHBondContact O-CB 3.27Å; Q301-R305 PolarHBondContact O-N 2.85Å
302	T	98	Very high	97.3	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-39.7	178	-52.9	0	0	0	0	111	E298 K299 H300 R305 D306 G307 R308	E298-T302 WeakPolarHBondContact O-CB 3.43Å; E298-T302 PolarHBondContact O-N 3.31Å; E298-T302 PolarHBondContact O-OG1 3.14Å; K299-T302 PolarHBondContact O-N 3.31Å; H300-T302 VanDerWaalsContact C-N 3.34Å; H300-T302 PolarHBondContact O-N 2.82Å; T302-R305 PolarHBondContact O-N 3.25Å; T302-D306 HydrophobicContact CG2-CB 4.38Å; T302-D306 WeakPolarHBondContact O-CA 3.17Å; T302-D306 WeakPolarHBondContact O-CB 3.43Å; T302-D306 PolarHBondContact O-N 3.36Å; T302-G307 PolarHBondContact O-N 3.36Å; T302-R308 CarbonylContact C-O 3.57Å; T302-R308 HydrophobicContact CG2-CG 4.04Å; T302-R308 VanDerWaalsContact CG2-O 3.28Å; T302-R308 WeakPolarHBondContact CG2-O 3.37Å
303	L	97.6	Very high	97.2	Very high	46 Å²	46	69.7 Å²	69.7	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-44.6	173.4	-77.3	168.8	0	0	0	111.8	F173 R175 K299 H300 G307 R308 L309	F173-L303 HydrophobicContact CE1-CD1 3.9Å; F173-L303 HydrophobicContact CZ-CD1 3.92Å; R175-L303 HydrophobicContact CG-CD1 4.35Å; K299-L303 WeakPolarHBondContact O-CB 3.25Å; K299-L303 WeakPolarHBondContact O-CG 3.42Å; K299-L303 PolarHBondContact O-N 3.05Å; H300-L303 PolarHBondContact O-N 3.47Å; L303-G307 VanDerWaalsContact O-CA 3.25Å; L303-G307 WeakPolarHBondContact O-CA 3.43Å; L303-G307 PolarHBondContact O-N 2.93Å; L303-R308 WeakPolarHBondContact CA-O 3.43Å; L303-R308 PolarHBondContact N-O 2.65Å; L303-L309 HydrophobicContact CD1-CD1 3.81Å; L303-L309 HydrophobicContact CD2-CB 4.31Å; L303-L309 HydrophobicContact CD2-CD1 4.46Å; L303-L309 HydrophobicContact CG-CD1 4.2Å
304	Q	96.7	Very high	97.1	Very high	141 Å²	141	71.6 Å²	71.6	66%	0.659	35%	0.351	S	S	*	.	H	α-helix	trans	-65.9	-40.7	179.5	-74.8	-175.7	-31.2	0	0	112.9	H300 Q301	H300-Q304 VanDerWaalsContact NE2-CD 3.33Å; H300-Q304 PolarHBondContact NE2-NE2 3.17Å; H300-Q304 WeakPolarHBondContact O-CG 3.26Å; H300-Q304 PolarHBondContact O-N 2.81Å; Q301-Q304 PolarHBondContact O-N 3.27Å
305	R	97.2	Very high	97	Very high	166 Å²	166	70 Å²	70	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-81.2	-46	-175.4	-170.5	-173.3	63.3	-141.5	-10.4	112.6	Q301 T302	Q301-R305 VanDerWaalsContact O-CB 3.31Å; Q301-R305 WeakPolarHBondContact O-CB 3.27Å; Q301-R305 PolarHBondContact O-N 2.85Å; T302-R305 PolarHBondContact O-N 3.25Å
306	D	96.7	Very high	96.9	Very high	62 Å²	62	72.5 Å²	72.5	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-116.5	-8.1	-165.5	-56.7	-14.1	0	0	0	112.9	T302 R308	T302-D306 HydrophobicContact CG2-CB 4.38Å; T302-D306 WeakPolarHBondContact O-CA 3.17Å; T302-D306 WeakPolarHBondContact O-CB 3.43Å; T302-D306 PolarHBondContact O-N 3.36Å; D306-R308 HydrophobicContact CB-CG 3.52Å; D306-R308 PolarHBondContact O-N 3.24Å; D306-R308 IonicContact OD2-CZ 3.18Å; D306-R308 IonicContact OD2-NE 2.64Å; D306-R308 PolarHBondContact OD2-NE 3.19Å; D306-R308 IonicContact OD2-NH2 2.99Å; D306-R308 PolarHBondContact OD2-NH2 3.34Å
307	G	95.8	Very high	96.7	Very high	64 Å²	64	75.7 Å²	75.7	66%	0.66	37%	0.367	S	S	*	.	S	Bend	trans	69.7	10.6	-175	0	0	0	0	0	114.6	T302 L303	T302-G307 PolarHBondContact O-N 3.36Å; L303-G307 VanDerWaalsContact O-CA 3.25Å; L303-G307 WeakPolarHBondContact O-CA 3.43Å; L303-G307 PolarHBondContact O-N 2.93Å
308	R	96.6	Very high	96.6	Very high	96 Å²	96	76.3 Å²	76.3	36%	0.362	37%	0.37	S	S	.	.			trans	-122.7	147.8	-178.6	55.2	175.5	-179.1	142.3	6.8	110.9	N283 T302 L303 D306 K311	N283-R308 WeakPolarHBondContact OD1-CB 3.44Å; T302-R308 CarbonylContact C-O 3.57Å; T302-R308 HydrophobicContact CG2-CG 4.04Å; T302-R308 VanDerWaalsContact CG2-O 3.28Å; T302-R308 WeakPolarHBondContact CG2-O 3.37Å; L303-R308 WeakPolarHBondContact CA-O 3.43Å; L303-R308 PolarHBondContact N-O 2.65Å; D306-R308 HydrophobicContact CB-CG 3.52Å; D306-R308 PolarHBondContact O-N 3.24Å; D306-R308 IonicContact OD2-CZ 3.18Å; D306-R308 IonicContact OD2-NE 2.64Å; D306-R308 PolarHBondContact OD2-NE 3.19Å; D306-R308 IonicContact OD2-NH2 2.99Å; D306-R308 PolarHBondContact OD2-NH2 3.34Å; R308-K311 PolarHBondContact NH1-O 3.37Å
309	L	97.3	Very high	96.5	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	35%	0.35	C	S	.	.	S	Bend	trans	-73.7	-37.7	-174.8	-176.5	67.3	0	0	0	112.2	F173 R175 N283 T288 K299 L303	F173-L309 HydrophobicContact CD1-CD1 4.08Å; F173-L309 HydrophobicContact CE1-CD1 3.68Å; R175-L309 HydrophobicContact CG-CD1 4.39Å; N283-L309 PolarHBondContact OD1-N 2.86Å; T288-L309 HydrophobicContact CG2-CD2 4.16Å; K299-L309 HydrophobicContact CB-CD1 3.97Å; K299-L309 HydrophobicContact CD-CD1 4.1Å; K299-L309 HydrophobicContact CG-CD1 4.01Å; K299-L309 HydrophobicContact CG-CG 4.35Å; L303-L309 HydrophobicContact CD1-CD1 3.81Å; L303-L309 HydrophobicContact CD2-CB 4.31Å; L303-L309 HydrophobicContact CD2-CD1 4.46Å; L303-L309 HydrophobicContact CG-CD1 4.2Å
310	C	96.9	Very high	96.5	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.014	35%	0.349	C	S	.	.			trans	-107.2	135.1	-170.5	-54.6	0	0	0	0	110.3	C281 N282 N283 E312 E313	C281-C310 VanDerWaalsContact CA-SG 3.57Å; C281-C310 HydrophobicContact CB-CB 3.83Å; C281-C310 WeakPolarHBondContact CB-SG 3.4Å; C281-C310 VanDerWaalsContact SG-CA 3.53Å; C281-C310 WeakPolarHBondContact SG-CB 3.47Å; C281-C310 CovalentContact SG-SG 2.03Å; C281-C310 PolarHBondContact SG-SG 3.1Å; N282-C310 PolarHBondContact N-SG 3.31Å; N283-C310 PolarHBondContact OD1-N 2.84Å; C310-E312 WeakPolarHBondContact CB-O 3.45Å; C310-E312 PolarHBondContact O-N 3.05Å; C310-E313 HydrophobicContact CB-CG 4.39Å
311	K	94.8	Very high	96.5	Very high	111 Å²	111	74.9 Å²	74.9	48%	0.483	37%	0.366	S	S	.	.	S	Bend	trans	-56.9	-45.9	166.4	-176.6	-178.5	178.9	-178.5	0	110.3	R308	R308-K311 PolarHBondContact NH1-O 3.37Å
312	E	95.3	Very high	96.5	Very high	143 Å²	143	70.1 Å²	70.1	67%	0.668	34%	0.343	S	S	*	.	S	Bend	trans	-141	139.3	170.7	-66.3	179.1	-175.3	0	0	108.6	C310 V314	C310-E312 WeakPolarHBondContact CB-O 3.45Å; C310-E312 PolarHBondContact O-N 3.05Å; E312-V314 PolarHBondContact O-N 3.38Å
313	E	96.4	Very high	96.4	Very high	104 Å²	104	73.3 Å²	73.3	49%	0.486	36%	0.36	S	S	.	.			trans	-74.2	128.7	174.1	-68.2	-165.8	129.5	0	0	109.8	C281 N282 N283 C310	C281-E313 CarbonylContact O-C 3.08Å; C281-E313 VanDerWaalsContact O-CA 3.22Å; C281-E313 WeakPolarHBondContact O-CA 3.41Å; N282-E313 WeakPolarHBondContact CA-OE1 3.49Å; N282-E313 VanDerWaalsContact CG-OE1 3.3Å; N282-E313 PolarHBondContact ND2-OE1 3.08Å; N282-E313 VanDerWaalsContact ND2-OE1 3.15Å; N282-E313 PolarHBondContact OD1-OE1 3.21Å; N283-E313 WeakPolarHBondContact CB-OE1 3.44Å; N283-E313 PolarHBondContact N-OE1 3.17Å; N283-E313 WeakPolarHBondContact ND2-CG 3.49Å; N283-E313 PolarHBondContact ND2-OE1 2.97Å; C310-E313 HydrophobicContact CB-CG 4.39Å
314	V	95.4	Very high	96.3	Very high	69 Å²	69	76.6 Å²	76.6	42%	0.418	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.4	-179	-179.7	0	0	0	0	108	G280 C281 E312 L316	G280-V314 CarbonylContact C-O 3.6Å; G280-V314 VanDerWaalsContact CA-O 3.27Å; G280-V314 WeakPolarHBondContact CA-O 3.36Å; C281-V314 PolarHBondContact N-O 3.07Å; C281-V314 PolarHBondContact O-N 3.3Å; E312-V314 PolarHBondContact O-N 3.38Å; V314-L316 HydrophobicContact CG1-CD2 3.63Å; V314-L316 HydrophobicContact CG1-CG 4.03Å
315	K	95.9	Very high	96.3	Very high	90 Å²	90	74.9 Å²	74.9	39%	0.391	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.2	172.9	-173.3	173.3	-173.6	169.3	0	109.8	R317 D336	K315-R317 WeakPolarHBondContact CE-O 3.22Å; K315-D336 IonicContact NZ-OD1 2.81Å; K315-D336 PolarHBondContact NZ-OD1 3.29Å
316	L	95.4	Very high	96.3	Very high	120 Å²	120	69 Å²	69	63%	0.628	36%	0.355	S	S	*	.			trans	-89.5	-28.6	178.9	-59.8	178.5	0	0	0	111.9	R279 V314	R279-L316 PolarHBondContact O-N 2.97Å; V314-L316 HydrophobicContact CG1-CD2 3.63Å; V314-L316 HydrophobicContact CG1-CG 4.03Å
317	R	94	Very high	96.2	Very high	67 Å²	67	69.4 Å²	69.4	25%	0.253	36%	0.361	S	S	.	.	S	Bend	trans	-147.7	150.4	-173.8	-59.6	175.9	66.5	-143.1	-6.3	110.9	E275 K277 R279 K315	E275-R317 IonicContact OE1-CZ 3.95Å; E275-R317 IonicContact OE1-NH1 3.44Å; E275-R317 PolarHBondContact OE1-NH1 3.32Å; E275-R317 IonicContact OE1-NH2 3.64Å; K277-R317 PolarHBondContact O-NH1 3.32Å; R279-R317 HydrophobicContact CG-CB 4.42Å; K315-R317 WeakPolarHBondContact CE-O 3.22Å
318	L	96.1	Very high	96.1	Very high	78 Å²	78	68.9 Å²	68.9	41%	0.408	35%	0.346	S	S	.	.			trans	-68.2	147.2	171.4	-62.2	-178	0	0	0	110.8	R334 D336	L318-R334 HydrophobicContact CB-CB 3.9Å; L318-R334 WeakPolarHBondContact O-CD 3.37Å; L318-R334 PolarHBondContact O-NH1 2.99Å; L318-D336 HydrophobicContact CD2-CB 4.07Å
319	S	96.6	Very high	96	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-178.3	176.1	-166.1	0	0	0	0	110.3	R279 R334 K335 P339	R279-S319 PolarHBondContact NE-OG 3.47Å; S319-R334 CarbonylContact O-C 3.35Å; S319-R334 WeakPolarHBondContact O-CA 3.3Å; S319-K335 PolarHBondContact O-N 3.49Å; S319-P339 WeakPolarHBondContact CB-O 3.34Å; S319-P339 PolarHBondContact OG-O 3.47Å
320	Y	97.4	Very high	95.9	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.016	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.9	176.9	58.5	-93	0	0	0	111.2	F195 F196 H268 C332 Q333 R334	F195-Y320 HydrophobicContact CE1-CD1 4.25Å; F195-Y320 AromaticContact CE1-CE1 3.4Å; F195-Y320 HydrophobicContact CE1-CE1 3.4Å; F195-Y320 AromaticContact CE1-CE2 3.96Å; F195-Y320 HydrophobicContact CE1-CE2 3.96Å; F195-Y320 AromaticContact CE1-CZ 3.23Å; F195-Y320 WeakPolarHBondContact CE1-OH 3.48Å; F195-Y320 AromaticContact CZ-CD1 3.76Å; F195-Y320 HydrophobicContact CZ-CD1 3.76Å; F195-Y320 HydrophobicContact CZ-CD2 4.16Å; F195-Y320 AromaticContact CZ-CE1 3.37Å; F195-Y320 HydrophobicContact CZ-CE1 3.37Å; F195-Y320 AromaticContact CZ-CE2 3.81Å; F195-Y320 HydrophobicContact CZ-CE2 3.81Å; F195-Y320 HydrophobicContact CZ-CG 4.16Å; F195-Y320 AromaticContact CZ-CZ 3.42Å; F195-Y320 VanDerWaalsContact CZ-CZ 3.42Å; F196-Y320 VanDerWaalsContact O-CE2 3.25Å; F196-Y320 WeakPolarHBondContact O-CE2 3.39Å; F196-Y320 PolarHBondContact O-OH 3.43Å; H268-Y320 AromaticContact CE1-CD2 3.87Å; H268-Y320 AromaticContact CE1-CE2 3.6Å; H268-Y320 PolarHBondContact NE2-O 2.96Å; Y320-C332 HydrophobicContact CD1-CB 4.23Å; Y320-C332 HydrophobicContact CD2-CB 3.48Å; Y320-C332 VanDerWaalsContact CD2-CB 3.48Å; Y320-C332 HydrophobicContact CE1-CB 4.16Å; Y320-C332 HydrophobicContact CE2-CB 3.39Å; Y320-C332 WeakPolarHBondContact CE2-SG 3.39Å; Y320-C332 HydrophobicContact CG-CB 3.9Å; Y320-Q333 VanDerWaalsContact CB-O 3.26Å; Y320-Q333 WeakPolarHBondContact CB-O 3.31Å; Y320-R334 HydrophobicContact CD1-CG 3.96Å
321	I	97.9	Very high	95.8	Very high	96 Å²	96	71.8 Å²	71.8	49%	0.492	37%	0.369	S	S	.	.			trans	-104.7	130.2	162.3	-58	-55	0	0	0	106.4	P270 D323 I338	P270-I321 HydrophobicContact CB-CD1 4.34Å; P270-I321 HydrophobicContact CG-CD1 3.68Å; I321-D323 PolarHBondContact O-N 3Å; I321-I338 HydrophobicContact CD1-CD1 4.46Å; I321-I338 HydrophobicContact CD1-CG2 4Å; I321-I338 HydrophobicContact CG1-CD1 3.93Å; I321-I338 HydrophobicContact CG1-CG1 4.44Å
322	Y	97.8	Very high	95.8	Very high	8 Å²	8	66.5 Å²	66.5	3%	0.031	35%	0.346	C	S	.	.			trans	-66.5	118	175	-165.6	-69.1	0	0	0	110.3	F196 P221 H268 W324 C331 C332	F196-Y322 HydrophobicContact CB-CD2 3.54Å; F196-Y322 HydrophobicContact CB-CE2 3.98Å; F196-Y322 HydrophobicContact CB-CG 4.21Å; P221-Y322 WeakPolarHBondContact CB-OH 3.46Å; P221-Y322 VanDerWaalsContact CG-OH 3.32Å; P221-Y322 WeakPolarHBondContact CG-OH 3.33Å; H268-Y322 PolarHBondContact CD2-N 3.48Å; H268-Y322 VanDerWaalsContact CD2-N 3.3Å; H268-Y322 VanDerWaalsContact CG-CB 3.43Å; H268-Y322 PolarHBondContact NE2-N 3.02Å; Y322-W324 AromaticContact CD1-CD2 3.42Å; Y322-W324 HydrophobicContact CD1-CD2 3.42Å; Y322-W324 VanDerWaalsContact CD1-CD2 3.42Å; Y322-W324 AromaticContact CD1-CE2 3.48Å; Y322-W324 VanDerWaalsContact CD1-CE2 3.48Å; Y322-W324 AromaticContact CD1-CE3 3.64Å; Y322-W324 HydrophobicContact CD1-CE3 3.64Å; Y322-W324 AromaticContact CD1-CG 3.92Å; Y322-W324 HydrophobicContact CD1-CG 3.92Å; Y322-W324 AromaticContact CD1-CH2 3.9Å; Y322-W324 HydrophobicContact CD1-CH2 3.9Å; Y322-W324 AromaticContact CD1-CZ2 3.74Å; Y322-W324 HydrophobicContact CD1-CZ2 3.74Å; Y322-W324 AromaticContact CD1-CZ3 3.86Å; Y322-W324 HydrophobicContact CD1-CZ3 3.86Å; Y322-W324 AromaticContact CD1-NE1 3.98Å; Y322-W324 HydrophobicContact CD2-CH2 4.48Å; Y322-W324 AromaticContact CE1-CD2 3.59Å; Y322-W324 HydrophobicContact CE1-CD2 3.59Å; Y322-W324 AromaticContact CE1-CE3 3.27Å; Y322-W324 HydrophobicContact CE1-CE3 3.27Å; Y322-W324 HydrophobicContact CE1-CG 4.28Å; Y322-W324 AromaticContact CE1-CH2 3.85Å; Y322-W324 HydrophobicContact CE1-CH2 3.85Å; Y322-W324 HydrophobicContact CE1-CZ2 4.17Å; Y322-W324 AromaticContact CE1-CZ3 3.41Å; Y322-W324 HydrophobicContact CE1-CZ3 3.41Å; Y322-W324 VanDerWaalsContact CE1-CZ3 3.41Å; Y322-W324 HydrophobicContact CE2-CH2 4.39Å; Y322-W324 HydrophobicContact CE2-CZ3 4.47Å; Y322-W324 HydrophobicContact CG-CD2 4.44Å; Y322-W324 HydrophobicContact CG-CH2 4.25Å; Y322-W324 HydrophobicContact CG-CZ2 4Å; Y322-W324 AromaticContact CZ-CZ3 3.76Å; Y322-C331 HydrophobicContact CD1-CB 3.82Å; Y322-C331 HydrophobicContact CD2-CB 3.87Å; Y322-C331 HydrophobicContact CE1-CB 3.54Å; Y322-C331 HydrophobicContact CE2-CB 3.65Å; Y322-C331 WeakPolarHBondContact CE2-SG 3.32Å; Y322-C331 HydrophobicContact CG-CB 3.96Å; Y322-C331 VanDerWaalsContact CZ-CB 3.45Å; Y322-C332 WeakPolarHBondContact CD2-SG 3.16Å
323	D	97.4	Very high	95.8	Very high	70 Å²	70	65.6 Å²	65.6	37%	0.374	34%	0.342	S	S	.	.			trans	-87	109.4	173.1	-174.3	-8.2	0	0	0	110.3	I321 S325 V326 C331	I321-D323 PolarHBondContact O-N 3Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 WeakPolarHBondContact OD1-CB 3.34Å; D323-S325 PolarHBondContact OD1-N 3.42Å; D323-S325 PolarHBondContact OD1-OG 3.1Å; D323-S325 PolarHBondContact OD2-OG 3.1Å; D323-V326 HydrophobicContact CB-CG2 3.89Å; D323-V326 WeakPolarHBondContact O-CG2 3.13Å; D323-C331 WeakPolarHBondContact CB-O 3.27Å; D323-C331 PolarHBondContact N-O 3.35Å
324	W	95.7	Very high	95.7	Very high	116 Å²	116	64.6 Å²	64.6	44%	0.439	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.5	179.8	-59.8	101.3	0	0	0	113.6	F196 P221 R266 H268 Y322 V326	F196-W324 HydrophobicContact CB-CH2 4.18Å; F196-W324 HydrophobicContact CB-CZ2 4.34Å; F196-W324 AromaticContact CD1-CH2 3.73Å; F196-W324 HydrophobicContact CD1-CH2 3.73Å; F196-W324 HydrophobicContact CD1-CZ2 4.4Å; F196-W324 HydrophobicContact CD2-CH2 4.37Å; F196-W324 HydrophobicContact CD2-CZ2 4.25Å; F196-W324 HydrophobicContact CE1-CH2 4.19Å; F196-W324 AromaticContact CG-CH2 3.82Å; F196-W324 HydrophobicContact CG-CH2 3.82Å; F196-W324 HydrophobicContact CG-CZ2 4.06Å; P221-W324 HydrophobicContact CB-CZ3 4.48Å; R266-W324 HydrophobicContact CB-CH2 3.41Å; R266-W324 VanDerWaalsContact CB-CH2 3.41Å; R266-W324 HydrophobicContact CB-CZ2 3.53Å; R266-W324 HydrophobicContact CB-CZ3 4.08Å; R266-W324 VanDerWaalsContact CD-CZ3 3.41Å; R266-W324 HydrophobicContact CG-CH2 3.99Å; R266-W324 HydrophobicContact CG-CZ3 4.38Å; H268-W324 HydrophobicContact CB-CZ2 4.28Å; Y322-W324 AromaticContact CD1-CD2 3.42Å; Y322-W324 HydrophobicContact CD1-CD2 3.42Å; Y322-W324 VanDerWaalsContact CD1-CD2 3.42Å; Y322-W324 AromaticContact CD1-CE2 3.48Å; Y322-W324 VanDerWaalsContact CD1-CE2 3.48Å; Y322-W324 AromaticContact CD1-CE3 3.64Å; Y322-W324 HydrophobicContact CD1-CE3 3.64Å; Y322-W324 AromaticContact CD1-CG 3.92Å; Y322-W324 HydrophobicContact CD1-CG 3.92Å; Y322-W324 AromaticContact CD1-CH2 3.9Å; Y322-W324 HydrophobicContact CD1-CH2 3.9Å; Y322-W324 AromaticContact CD1-CZ2 3.74Å; Y322-W324 HydrophobicContact CD1-CZ2 3.74Å; Y322-W324 AromaticContact CD1-CZ3 3.86Å; Y322-W324 HydrophobicContact CD1-CZ3 3.86Å; Y322-W324 AromaticContact CD1-NE1 3.98Å; Y322-W324 HydrophobicContact CD2-CH2 4.48Å; Y322-W324 AromaticContact CE1-CD2 3.59Å; Y322-W324 HydrophobicContact CE1-CD2 3.59Å; Y322-W324 AromaticContact CE1-CE3 3.27Å; Y322-W324 HydrophobicContact CE1-CE3 3.27Å; Y322-W324 HydrophobicContact CE1-CG 4.28Å; Y322-W324 AromaticContact CE1-CH2 3.85Å; Y322-W324 HydrophobicContact CE1-CH2 3.85Å; Y322-W324 HydrophobicContact CE1-CZ2 4.17Å; Y322-W324 AromaticContact CE1-CZ3 3.41Å; Y322-W324 HydrophobicContact CE1-CZ3 3.41Å; Y322-W324 VanDerWaalsContact CE1-CZ3 3.41Å; Y322-W324 HydrophobicContact CE2-CH2 4.39Å; Y322-W324 HydrophobicContact CE2-CZ3 4.47Å; Y322-W324 HydrophobicContact CG-CD2 4.44Å; Y322-W324 HydrophobicContact CG-CH2 4.25Å; Y322-W324 HydrophobicContact CG-CZ2 4Å; Y322-W324 AromaticContact CZ-CZ3 3.76Å; W324-V326 VanDerWaalsContact C-N 3.35Å
325	S	96.1	Very high	95.7	Very high	104 Å²	104	67.1 Å²	67.1	73%	0.727	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.3	-179.5	73.3	0	0	0	0	113.5	D323	D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 WeakPolarHBondContact OD1-CB 3.34Å; D323-S325 PolarHBondContact OD1-N 3.42Å; D323-S325 PolarHBondContact OD1-OG 3.1Å; D323-S325 PolarHBondContact OD2-OG 3.1Å
326	V	96.6	Very high	95.6	Very high	43 Å²	43	68.6 Å²	68.6	26%	0.261	35%	0.351	S	S	.	.	S	Bend	trans	-113.3	161.4	-179.4	-60.1	0	0	0	0	111	D323 W324 Q330	D323-V326 HydrophobicContact CB-CG2 3.89Å; D323-V326 WeakPolarHBondContact O-CG2 3.13Å; W324-V326 VanDerWaalsContact C-N 3.35Å; V326-Q330 HydrophobicContact CB-CB 4.14Å; V326-Q330 HydrophobicContact CG2-CB 3.93Å
327	P	95.3	Very high	95.3	Very high	70 Å²	70	66.2 Å²	66.2	46%	0.455	36%	0.356	S	S	.	.			trans	-54.8	148.6	172.8	-26.9	35.8	0	0	0	112.3	S329 Q330 C331	P327-S329 PolarHBondContact O-N 3.3Å; P327-Q330 WeakPolarHBondContact O-CA 3.37Å; P327-Q330 PolarHBondContact O-N 3.25Å; P327-C331 PolarHBondContact O-N 3.24Å
328	P	94.6	Very high	95.3	Very high	53 Å²	53	64.1 Å²	64.1	34%	0.344	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-50.2	-36.9	-178.8	-33.3	38.2	0	0	0	114.9	G198 P221 Q330 C331	G198-P328 CarbonylContact C-O 3.6Å; G198-P328 WeakPolarHBondContact CA-O 3.48Å; G198-P328 CarbonylContact O-C 3.07Å; G198-P328 WeakPolarHBondContact O-CB 3.33Å; P221-P328 HydrophobicContact CG-CB 3.89Å; P221-P328 HydrophobicContact CG-CG 3.62Å; P328-Q330 PolarHBondContact O-N 3.35Å; P328-Q330 VanDerWaalsContact O-N 3.14Å; P328-C331 PolarHBondContact O-N 3.2Å; P328-C331 PolarHBondContact O-SG 3.47Å
329	S	92.6	Very high	94.6	Very high	51 Å²	51	61.8 Å²	61.8	36%	0.357	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.6	177.9	55.5	0	0	0	0	113.4	G198 P327	G198-S329 PolarHBondContact O-N 3.35Å; P327-S329 PolarHBondContact O-N 3.3Å
330	Q	95.3	Very high	94.5	Very high	108 Å²	108	64.9 Å²	64.9	51%	0.505	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-104.7	-10.1	-177	-57.7	-176.3	24.4	0	0	113.9	V326 P327 P328 C332	V326-Q330 HydrophobicContact CB-CB 4.14Å; V326-Q330 HydrophobicContact CG2-CB 3.93Å; P327-Q330 WeakPolarHBondContact O-CA 3.37Å; P327-Q330 PolarHBondContact O-N 3.25Å; P328-Q330 PolarHBondContact O-N 3.35Å; P328-Q330 VanDerWaalsContact O-N 3.14Å; Q330-C332 VanDerWaalsContact C-N 3.27Å; Q330-C332 PolarHBondContact O-N 3.47Å
331	C	94.9	Very high	94.4	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.014	37%	0.374	C	S	.	.	S	Bend	trans	-51	-34.4	-171.2	61.1	0	0	0	0	116.9	G198 Y322 D323 P327 P328	G198-C331 PolarHBondContact N-SG 3.31Å; G198-C331 VanDerWaalsContact N-SG 3.44Å; Y322-C331 HydrophobicContact CD1-CB 3.82Å; Y322-C331 HydrophobicContact CD2-CB 3.87Å; Y322-C331 HydrophobicContact CE1-CB 3.54Å; Y322-C331 HydrophobicContact CE2-CB 3.65Å; Y322-C331 WeakPolarHBondContact CE2-SG 3.32Å; Y322-C331 HydrophobicContact CG-CB 3.96Å; Y322-C331 VanDerWaalsContact CZ-CB 3.45Å; D323-C331 WeakPolarHBondContact CB-O 3.27Å; D323-C331 PolarHBondContact N-O 3.35Å; P327-C331 PolarHBondContact O-N 3.24Å; P328-C331 PolarHBondContact O-N 3.2Å; P328-C331 PolarHBondContact O-SG 3.47Å
332	C	94.4	Very high	94.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.367	C	S	.	.			trans	-119.6	43.4	-146.2	-62	0	0	0	0	112.4	R199 Y320 Y322 Q330 R334	R199-C332 HydrophobicContact CG-CB 4.15Å; R199-C332 VanDerWaalsContact CZ-C 3.43Å; R199-C332 PolarHBondContact NH1-O 2.73Å; R199-C332 PolarHBondContact NH2-O 2.9Å; Y320-C332 HydrophobicContact CD1-CB 4.23Å; Y320-C332 HydrophobicContact CD2-CB 3.48Å; Y320-C332 VanDerWaalsContact CD2-CB 3.48Å; Y320-C332 HydrophobicContact CE1-CB 4.16Å; Y320-C332 HydrophobicContact CE2-CB 3.39Å; Y320-C332 WeakPolarHBondContact CE2-SG 3.39Å; Y320-C332 HydrophobicContact CG-CB 3.9Å; Y322-C332 WeakPolarHBondContact CD2-SG 3.16Å; Q330-C332 VanDerWaalsContact C-N 3.27Å; Q330-C332 PolarHBondContact O-N 3.47Å; C332-R334 PolarHBondContact O-N 3.25Å
333	Q	95.4	Very high	94	Very high	125 Å²	125	69.9 Å²	69.9	58%	0.584	39%	0.387	S	S	*	.			trans	-62.8	120.5	-179	-62.7	-173.1	12.1	0	0	111	Y320	Y320-Q333 VanDerWaalsContact CB-O 3.26Å; Y320-Q333 WeakPolarHBondContact CB-O 3.31Å
334	R	94.9	Very high	93.7	Very high	82 Å²	82	69.9 Å²	69.9	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.6	-176.3	-71.7	-174.3	-173.5	-91.9	-3.8	111.3	E275 L318 S319 Y320 C332	E275-R334 VanDerWaalsContact CD-NH2 3.33Å; E275-R334 IonicContact OE1-CZ 3.39Å; E275-R334 IonicContact OE1-NH1 2.78Å; E275-R334 IonicContact OE1-NH2 3.85Å; E275-R334 PolarHBondContact OE1-NH2 3.31Å; E275-R334 IonicContact OE2-CZ 2.72Å; E275-R334 IonicContact OE2-NH1 2.72Å; E275-R334 PolarHBondContact OE2-NH1 2.96Å; E275-R334 IonicContact OE2-NH2 3.75Å; E275-R334 PolarHBondContact OE2-NH2 3.23Å; L318-R334 HydrophobicContact CB-CB 3.9Å; L318-R334 WeakPolarHBondContact O-CD 3.37Å; L318-R334 PolarHBondContact O-NH1 2.99Å; S319-R334 CarbonylContact O-C 3.35Å; S319-R334 WeakPolarHBondContact O-CA 3.3Å; Y320-R334 HydrophobicContact CD1-CG 3.96Å; C332-R334 PolarHBondContact O-N 3.25Å
335	K	95.1	Very high	93.6	Very high	122 Å²	122	66.9 Å²	66.9	53%	0.53	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.3	-176.7	-60.2	179.7	-177.2	177.4	0	110.7	S319 I338	S319-K335 PolarHBondContact O-N 3.49Å; K335-I338 HydrophobicContact CB-CD1 3.92Å
336	D	93.5	Very high	93.4	Very high	122 Å²	122	64.2 Å²	64.2	65%	0.652	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	164.9	171.5	-162.5	23.3	0	0	0	111.6	K315 L318 I338	K315-D336 IonicContact NZ-OD1 2.81Å; K315-D336 PolarHBondContact NZ-OD1 3.29Å; L318-D336 HydrophobicContact CD2-CB 4.07Å; D336-I338 PolarHBondContact O-N 3.15Å; D336-I338 VanDerWaalsContact O-N 3.12Å
337	G	90.6	Very high	93.2	Very high	70 Å²	70	65.8 Å²	65.8	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-6.7	179.6	0	0	0	0	0	116.3
338	I	92.6	Very high	93	Very high	23 Å²	23	65.5 Å²	65.5	12%	0.118	36%	0.36	C	S	.	.			trans	-87	130	170.9	-57.2	169.4	0	0	0	108.5	P270 I321 K335 D336	P270-I338 HydrophobicContact CB-CG2 3.45Å; P270-I338 VanDerWaalsContact CB-CG2 3.45Å; P270-I338 HydrophobicContact CG-CG2 3.82Å; I321-I338 HydrophobicContact CD1-CD1 4.46Å; I321-I338 HydrophobicContact CD1-CG2 4Å; I321-I338 HydrophobicContact CG1-CD1 3.93Å; I321-I338 HydrophobicContact CG1-CG1 4.44Å; K335-I338 HydrophobicContact CB-CD1 3.92Å; D336-I338 PolarHBondContact O-N 3.15Å; D336-I338 VanDerWaalsContact O-N 3.12Å
339	P	82.3	Confident	92.9	Very high	28 Å²	28	66.6 Å²	66.6	18%	0.182	36%	0.361	C	S	.	.			trans	-50.6	0	176.1	-27.3	35.5	0	0	0	113.3	K284 Y285 S319	K284-P339 HydrophobicContact CD-CG 4.02Å; Y285-P339 HydrophobicContact CD1-CB 4.4Å; Y285-P339 HydrophobicContact CE1-CB 3.96Å; Y285-P339 WeakPolarHBondContact CE1-OXT 3.34Å; Y285-P339 PolarHBondContact OH-OXT 3.06Å; S319-P339 WeakPolarHBondContact CB-O 3.34Å; S319-P339 PolarHBondContact OG-O 3.47Å

Retrieved 339 of 339 residues in 731.8 ms (Link to these results)

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