A0A5K4F411_SCHMA Loading...

Peroxidase

AlphaFold DB , UniProt , Accession A0A5K4F411, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	28.8	Very low	217 Å²	217	148.8 Å²	148.8	100%	1.069	78%	0.777	S	S	*	*				0	84.8	0	-91.8	163.2	67.8	0	0	108.4	I3	M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.16Å
2	N	33.2	Very low	28.6	Very low	172 Å²	172	149.3 Å²	149.3	92%	0.92	78%	0.78	S	S	*	*			trans	-82.1	94.6	174.6	-77.7	-15.3	0	0	0	107.7	C4	N2-C4 PolarHBondContact O-N 3.32Å; N2-C4 VanDerWaalsContact O-N 3.14Å
3	I	34.2	Very low	28.4	Very low	132 Å²	132	148.2 Å²	148.2	68%	0.677	79%	0.79	S	S	*	*			trans	-69.6	105.3	174.7	-65.3	166.9	0	0	0	106.4	M1 V5	M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.16Å; I3-V5 HydrophobicContact CG2-CG2 4.44Å; I3-V5 PolarHBondContact O-N 3.01Å
4	C	31.7	Very low	28	Very low	67 Å²	67	151.5 Å²	151.5	45%	0.453	80%	0.795	S	S	.	*			trans	-67.4	99	169.3	-157	0	0	0	0	106.7	N2 W6 C196	N2-C4 PolarHBondContact O-N 3.32Å; N2-C4 VanDerWaalsContact O-N 3.14Å; C4-W6 PolarHBondContact O-N 3.34Å; C4-C196 HydrophobicContact CB-CB 4.23Å; C4-C196 WeakPolarHBondContact SG-CB 3.1Å
5	V	31.9	Very low	27.8	Very low	105 Å²	105	151.1 Å²	151.1	64%	0.636	79%	0.792	S	S	*	*			trans	-65.6	104.2	-179.9	178	0	0	0	0	107.9	I3 N7	I3-V5 HydrophobicContact CG2-CG2 4.44Å; I3-V5 PolarHBondContact O-N 3.01Å; V5-N7 VanDerWaalsContact C-N 3.3Å; V5-N7 PolarHBondContact O-N 3Å
6	W	27.8	Very low	27.8	Very low	197 Å²	197	153.9 Å²	153.9	75%	0.746	80%	0.797	S	S	*	*			trans	-66.3	94.9	161.7	-80.5	59.1	0	0	0	106.9	C4 F8	C4-W6 PolarHBondContact O-N 3.34Å; W6-F8 HydrophobicContact CB-CD2 4.35Å; W6-F8 HydrophobicContact CE3-CE2 4.27Å; W6-F8 PolarHBondContact O-N 3.26Å
7	N	26.3	Very low	27.6	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	80%	0.802	S	S	*	*			trans	-68.1	90.3	169.1	-108.4	-8.2	0	0	0	108.1	V5 A9	V5-N7 VanDerWaalsContact C-N 3.3Å; V5-N7 PolarHBondContact O-N 3Å; N7-A9 PolarHBondContact O-N 3.03Å
8	F	24.3	Very low	27.5	Very low	186 Å²	186	148.7 Å²	148.7	82%	0.816	79%	0.79	S	S	*	*			trans	-67.1	79.1	168	-110.6	-95.4	0	0	0	109	W6	W6-F8 HydrophobicContact CB-CD2 4.35Å; W6-F8 HydrophobicContact CE3-CE2 4.27Å; W6-F8 PolarHBondContact O-N 3.26Å
9	A	26.7	Very low	27.4	Very low	81 Å²	81	149.8 Å²	149.8	67%	0.669	80%	0.796	S	S	*	*			trans	-158.7	87.4	169.3	0	0	0	0	0	110.5	N7	N7-A9 PolarHBondContact O-N 3.03Å
10	C	25.8	Very low	27.4	Very low	133 Å²	133	148.6 Å²	148.6	90%	0.899	79%	0.789	S	S	*	*			trans	176.2	64.5	145.2	-97.4	0	0	0	0	109.3
11	F	23.3	Very low	27.3	Very low	197 Å²	197	149.3 Å²	149.3	86%	0.864	79%	0.794	S	S	*	*			trans	-87.7	138.9	150.2	-105.6	-99.8	0	0	0	106.7
12	L	26	Very low	27	Very low	154 Å²	154	147.1 Å²	147.1	81%	0.806	78%	0.778	S	S	*	*			trans	78.7	85.7	-175.6	-81	74.1	0	0	0	116.9
13	C	25.4	Very low	26.5	Very low	136 Å²	136	147 Å²	147	92%	0.919	78%	0.776	S	S	*	*			trans	-142.8	74.1	136.1	-86.3	0	0	0	0	108.4
14	F	23.9	Very low	26	Very low	194 Å²	194	145.4 Å²	145.4	85%	0.851	78%	0.777	S	S	*	*			trans	-79.1	132.8	157.4	-99.1	-90.9	0	0	0	107.9
15	L	23.8	Very low	25.7	Very low	145 Å²	145	147.4 Å²	147.4	76%	0.759	79%	0.791	S	S	*	*			trans	61.5	97	156.4	-59.5	162.4	0	0	0	116.5
16	F	29.2	Very low	25.6	Very low	196 Å²	196	149.9 Å²	149.9	86%	0.86	80%	0.801	S	S	*	*			trans	-166.8	103.4	132.1	-98.1	-70	0	0	0	108.9	C18	F16-C18 PolarHBondContact O-N 2.77Å
17	S	23.6	Very low	25.5	Very low	126 Å²	126	144 Å²	144	88%	0.881	80%	0.801	S	S	*	*			trans	-64	93.8	160.7	40.9	0	0	0	0	108.8
18	C	26.3	Very low	25.5	Very low	88 Å²	88	144.3 Å²	144.3	60%	0.595	80%	0.803	S	S	*	*			trans	-117.5	107.8	169.4	-85.9	0	0	0	0	109.3	F16 L20	F16-C18 PolarHBondContact O-N 2.77Å; C18-L20 HydrophobicContact CB-CD1 4.17Å; C18-L20 PolarHBondContact O-N 3.08Å
19	N	24.7	Very low	25.5	Very low	170 Å²	170	139.8 Å²	139.8	91%	0.909	79%	0.794	S	S	*	*			trans	-53.5	105.4	162.7	-78.7	-44.8	0	0	0	109
20	L	28.8	Very low	25.6	Very low	125 Å²	125	145.1 Å²	145.1	65%	0.654	80%	0.803	S	S	*	*			trans	-127.5	98.6	166.1	-96.2	124.6	0	0	0	108.6	C18 F22	C18-L20 HydrophobicContact CB-CD1 4.17Å; C18-L20 PolarHBondContact O-N 3.08Å; L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 HydrophobicContact CB-CD2 4.33Å; L20-F22 HydrophobicContact CD2-CD2 3.72Å; L20-F22 HydrophobicContact CD2-CE2 3.55Å; L20-F22 PolarHBondContact O-N 3.41Å
21	N	23.9	Very low	25.8	Very low	165 Å²	165	146.7 Å²	146.7	88%	0.882	79%	0.794	S	S	*	*			trans	-59	89.5	160.7	-74.6	-38.8	0	0	0	108.5
22	F	26.2	Very low	26.2	Very low	170 Å²	170	141 Å²	141	75%	0.746	78%	0.783	S	S	*	*			trans	-100.2	93.6	167	-107.9	-87.4	0	0	0	109.2	L20 S24	L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 HydrophobicContact CB-CD2 4.33Å; L20-F22 HydrophobicContact CD2-CD2 3.72Å; L20-F22 HydrophobicContact CD2-CE2 3.55Å; L20-F22 PolarHBondContact O-N 3.41Å; F22-S24 PolarHBondContact O-N 2.92Å
23	I	22.6	Very low	26.7	Very low	169 Å²	169	139 Å²	139	87%	0.867	78%	0.778	S	S	*	*			trans	-66.6	105.7	160	-63.8	164.1	0	0	0	105.7
24	S	25	Very low	27.2	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	76%	0.758	S	S	*	*			trans	-127.4	115.8	172.6	176.1	0	0	0	0	109.7	F22 N26	F22-S24 PolarHBondContact O-N 2.92Å; S24-N26 PolarHBondContact O-N 3.01Å
25	S	25.3	Very low	28	Very low	108 Å²	108	133 Å²	133	76%	0.755	75%	0.754	S	S	*	*			trans	-72.9	95	172.3	51.1	0	0	0	0	110.3
26	N	28.7	Very low	29	Very low	157 Å²	157	130.8 Å²	130.8	84%	0.84	74%	0.739	S	S	*	*			trans	-165.3	104	147	-107.4	-19.6	0	0	0	109.3	S24 N28	S24-N26 PolarHBondContact O-N 3.01Å; N26-N28 PolarHBondContact O-N 3.25Å
27	G	25	Very low	29.9	Very low	73 Å²	73	128.3 Å²	128.3	75%	0.753	73%	0.733	S	S	*	*			trans	-69.2	91.9	179.8	0	0	0	0	0	111.1
28	N	26.9	Very low	31.6	Very low	158 Å²	158	130.5 Å²	130.5	85%	0.845	73%	0.73	S	S	*	*			trans	-163	72.1	151.6	-93.1	-25	0	0	0	107.6	N26 K30	N26-N28 PolarHBondContact O-N 3.25Å; N28-K30 PolarHBondContact O-N 3.44Å; N28-K30 VanDerWaalsContact O-N 3.13Å
29	S	25.6	Very low	33.9	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	71%	0.714	S	S	*	*			trans	-71.2	106.5	-176.3	93.6	0	0	0	0	108.3	F31	S29-F31 PolarHBondContact O-N 2.77Å; S29-F31 WeakPolarHBondContact OG-CD2 3.46Å
30	K	28.8	Very low	37.1	Very low	194 Å²	194	124.5 Å²	124.5	84%	0.843	69%	0.694	S	S	*	*			trans	-69.4	46.3	167.6	-73	-168.5	175.5	-175.9	0	111.3	N28 A32	N28-K30 PolarHBondContact O-N 3.44Å; N28-K30 VanDerWaalsContact O-N 3.13Å; K30-A32 PolarHBondContact O-N 2.8Å; K30-A32 VanDerWaalsContact O-N 3.11Å
31	F	28.5	Very low	40.3	Very low	165 Å²	165	120 Å²	120	72%	0.724	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	11.8	-177.1	-93.3	-98.6	0	0	0	114.2	S29 T33	S29-F31 PolarHBondContact O-N 2.77Å; S29-F31 WeakPolarHBondContact OG-CD2 3.46Å; F31-T33 VanDerWaalsContact C-N 3.34Å
32	A	32	Very low	43.8	Very low	77 Å²	77	112.5 Å²	112.5	64%	0.636	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-9.4	178.6	0	0	0	0	0	114	K30 F36	K30-A32 PolarHBondContact O-N 2.8Å; K30-A32 VanDerWaalsContact O-N 3.11Å; A32-F36 VanDerWaalsContact O-CD2 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.48Å; A32-F36 WeakPolarHBondContact O-CE2 3.42Å
33	T	35.8	Very low	47.1	Very low	114 Å²	114	109.3 Å²	109.3	70%	0.699	62%	0.619	S	S	*	*	S	Bend	trans	-93.6	-12.5	-172.9	54.3	0	0	0	0	115.2	F31	F31-T33 VanDerWaalsContact C-N 3.34Å
34	A	36	Very low	50.6	Low	60 Å²	60	101.2 Å²	101.2	50%	0.496	58%	0.578	S	S	.	*	S	Bend	trans	-84	-28.6	-173.3	0	0	0	0	0	114.4	F36	A34-F36 VanDerWaalsContact C-N 3.3Å; A34-F36 PolarHBondContact O-N 2.81Å
35	D	40.7	Very low	54.1	Low	144 Å²	144	96.5 Å²	96.5	77%	0.77	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-78.5	-11.5	-176.2	-79.4	-16	0	0	0	114.1	L37	D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 2.04Å
36	F	46.2	Very low	57.4	Low	98 Å²	98	92.6 Å²	92.6	43%	0.43	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-72.6	-19.7	178.9	-72.1	-75.6	0	0	0	113.5	A32 A34 H38 I39 K207	A32-F36 VanDerWaalsContact O-CD2 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.48Å; A32-F36 WeakPolarHBondContact O-CE2 3.42Å; A34-F36 VanDerWaalsContact C-N 3.3Å; A34-F36 PolarHBondContact O-N 2.81Å; F36-H38 PolarHBondContact O-N 3.14Å; F36-I39 PolarHBondContact O-N 2.97Å; F36-I39 VanDerWaalsContact O-N 3.16Å; F36-K207 HydrophobicContact CE1-CD 3.98Å; F36-K207 HydrophobicContact CE1-CG 4.07Å; F36-K207 HydrophobicContact CZ-CD 3.98Å
37	L	47	Very low	60.5	Low	143 Å²	143	86 Å²	86	75%	0.749	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-66	-12.3	-170.9	-108.2	141.9	0	0	0	114.7	D35	D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 2.04Å
38	H	58.9	Low	63.8	Low	173 Å²	173	87 Å²	87	80%	0.801	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-105.5	-1.1	178.3	-73	-68	0	0	0	114.9	F36 V40	F36-H38 PolarHBondContact O-N 3.14Å; H38-V40 PolarHBondContact O-N 3.18Å
39	I	75.5	Confident	67	Low	51 Å²	51	81.1 Å²	81.1	26%	0.262	44%	0.437	S	S	.	.			trans	-94	96.5	177.9	-65.8	175.9	0	0	0	109.3	F36 P41 I205 K207	F36-I39 PolarHBondContact O-N 2.97Å; F36-I39 VanDerWaalsContact O-N 3.16Å; I39-P41 WeakPolarHBondContact O-CD 3.34Å; I39-I205 HydrophobicContact CG2-CG2 3.7Å; I39-K207 WeakPolarHBondContact CD1-O 3.41Å
40	V	91.7	Very high	70.3	Confident	80 Å²	80	77.8 Å²	77.8	49%	0.485	41%	0.412	S	S	.	.			trans	-100.5	110.1	174.5	-176.1	0	0	0	0	108.8	H38 L338	H38-V40 PolarHBondContact O-N 3.18Å; V40-L338 HydrophobicContact CB-CB 4.26Å; V40-L338 HydrophobicContact CG1-CB 4.17Å; V40-L338 HydrophobicContact CG1-CD2 3.82Å; V40-L338 VanDerWaalsContact O-CB 3.28Å; V40-L338 WeakPolarHBondContact O-CB 3.41Å; V40-L338 PolarHBondContact O-N 2.96Å
41	P	95.7	Very high	73.6	Confident	32 Å²	32	70.7 Å²	70.7	21%	0.208	39%	0.386	C	S	.	.			trans	-76.5	165.4	175.2	31.9	-33.9	0	0	0	111.5	I39 L46 I205	I39-P41 WeakPolarHBondContact O-CD 3.34Å; P41-L46 HydrophobicContact CG-CD1 3.52Å; P41-L46 HydrophobicContact CG-CG 4Å; P41-I205 HydrophobicContact CB-CD1 3.47Å; P41-I205 VanDerWaalsContact CB-CD1 3.47Å; P41-I205 HydrophobicContact CB-CG1 4.23Å; P41-I205 HydrophobicContact CG-CD1 4.06Å; P41-I205 HydrophobicContact CG-CG1 4.36Å
42	Q	97.4	Very high	76.9	Confident	7 Å²	7	65 Å²	65	3%	0.033	36%	0.362	C	S	.	.			trans	-69.8	148.4	171.2	-64.2	-177.3	67.4	0	0	110.9	S44 V45 G97 V98 P336	Q42-S44 PolarHBondContact O-N 3.24Å; Q42-V45 HydrophobicContact CB-CG2 4.25Å; Q42-V45 WeakPolarHBondContact O-CB 3.5Å; Q42-V45 PolarHBondContact O-N 3.04Å; Q42-V45 VanDerWaalsContact O-N 3.16Å; Q42-G97 VanDerWaalsContact OE1-CA 3.22Å; Q42-V98 PolarHBondContact NE2-O 3.19Å; Q42-P336 WeakPolarHBondContact CG-O 3.02Å; Q42-P336 PolarHBondContact NE2-O 3.46Å
43	Q	95.3	Very high	80.1	Confident	102 Å²	102	61.3 Å²	61.3	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-43.5	-167.4	-64.3	172.7	-54.6	0	0	113	V45 L46 S47 L95 Y96	Q43-V45 PolarHBondContact O-N 2.85Å; Q43-L46 PolarHBondContact O-N 3.16Å; Q43-S47 WeakPolarHBondContact O-CB 3.08Å; Q43-S47 PolarHBondContact O-N 3.01Å; Q43-S47 VanDerWaalsContact O-N 3.16Å; Q43-L95 HydrophobicContact CB-CB 4.26Å; Q43-L95 HydrophobicContact CB-CD2 4.36Å; Q43-Y96 PolarHBondContact N-O 2.99Å
44	S	96.5	Very high	83.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-25.7	-177.3	63.3	0	0	0	0	113.6	Q42 L46 Y96 G97 H142 K144 Q277	Q42-S44 PolarHBondContact O-N 3.24Å; S44-L46 PolarHBondContact O-N 3.15Å; S44-Y96 PolarHBondContact N-O 3.47Å; S44-G97 VanDerWaalsContact OG-CA 3.25Å; S44-G97 WeakPolarHBondContact OG-CA 3.34Å; S44-G97 PolarHBondContact OG-N 2.99Å; S44-H142 WeakPolarHBondContact CB-O 3.35Å; S44-H142 PolarHBondContact OG-O 2.88Å; S44-K144 PolarHBondContact O-NZ 3.31Å; S44-Q277 PolarHBondContact O-NE2 2.85Å; S44-Q277 VanDerWaalsContact O-NE2 3.17Å; S44-Q277 PolarHBondContact O-OE1 2.74Å
45	V	97.9	Very high	86.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-42.3	-175.5	179.5	0	0	0	0	111.8	Q42 Q43 A204 I205 Q277 Y295 F335	Q42-V45 HydrophobicContact CB-CG2 4.25Å; Q42-V45 WeakPolarHBondContact O-CB 3.5Å; Q42-V45 PolarHBondContact O-N 3.04Å; Q42-V45 VanDerWaalsContact O-N 3.16Å; Q43-V45 PolarHBondContact O-N 2.85Å; V45-A204 HydrophobicContact CG1-CB 3.99Å; V45-I205 HydrophobicContact CG1-CD1 3.63Å; V45-Q277 PolarHBondContact O-NE2 3.05Å; V45-Y295 HydrophobicContact CB-CD1 4.35Å; V45-Y295 HydrophobicContact CB-CE1 4.42Å; V45-Y295 HydrophobicContact CG1-CD1 3.95Å; V45-Y295 HydrophobicContact CG1-CG 4.01Å; V45-Y295 HydrophobicContact CG2-CD1 4.1Å; V45-Y295 HydrophobicContact CG2-CE1 3.86Å; V45-F335 HydrophobicContact CG2-CB 4.21Å; V45-F335 HydrophobicContact CG2-CD1 4.26Å; V45-F335 HydrophobicContact CG2-CG 4.45Å
46	L	95.7	Very high	88.9	Confident	26 Å²	26	46.3 Å²	46.3	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-106.5	-24.4	-174.7	-62.3	-172.4	0	0	0	114.1	P41 Q43 S44 R200 A201 A204 I205	P41-L46 HydrophobicContact CG-CD1 3.52Å; P41-L46 HydrophobicContact CG-CG 4Å; Q43-L46 PolarHBondContact O-N 3.16Å; S44-L46 PolarHBondContact O-N 3.15Å; L46-R200 HydrophobicContact CD2-CB 4.08Å; L46-R200 PolarHBondContact O-NH1 3.46Å; L46-A201 HydrophobicContact CD1-CB 3.96Å; L46-A201 HydrophobicContact CD2-CB 4.39Å; L46-A204 HydrophobicContact CD2-CB 3.88Å; L46-I205 HydrophobicContact CD1-CG1 4.46Å; L46-I205 HydrophobicContact CD2-CD1 4.09Å; L46-I205 HydrophobicContact CD2-CG1 4.15Å; L46-I205 HydrophobicContact CG-CD1 4.39Å
47	S	94.3	Very high	91.4	Very high	18 Å²	18	42.7 Å²	42.7	13%	0.126	23%	0.225	C	C	.	.	S	Bend	trans	-60.2	153.9	-175.8	83.4	0	0	0	0	111.9	Q43 K144 R200 Q277	Q43-S47 WeakPolarHBondContact O-CB 3.08Å; Q43-S47 PolarHBondContact O-N 3.01Å; Q43-S47 VanDerWaalsContact O-N 3.16Å; S47-K144 PolarHBondContact O-NZ 2.99Å; S47-K144 PolarHBondContact OG-NZ 3.31Å; S47-R200 PolarHBondContact O-NH1 3.41Å; S47-Q277 PolarHBondContact O-NE2 3.21Å
48	D	92.7	Very high	93.8	Very high	94 Å²	94	35.9 Å²	35.9	50%	0.503	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-61.1	164.4	163.6	-69.8	-48.1	0	0	0	111.8	K144 R200	D48-K144 WeakPolarHBondContact O-CD 3.49Å; D48-K144 PolarHBondContact O-NZ 2.79Å; D48-R200 IonicContact OD1-CZ 2.76Å; D48-R200 IonicContact OD1-NH1 3.54Å; D48-R200 PolarHBondContact OD1-NH1 3.06Å; D48-R200 IonicContact OD1-NH2 2.62Å; D48-R200 PolarHBondContact OD1-NH2 2.88Å
49	I	94.9	Very high	95.7	Very high	34 Å²	34	29.1 Å²	29.1	17%	0.174	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-68.3	156.4	168.9	59.9	164.3	0	0	0	109.6	M177 E181 Q277	I49-M177 HydrophobicContact CD1-CE 3.71Å; I49-M177 HydrophobicContact CG1-CE 3.92Å; I49-E181 HydrophobicContact CD1-CB 4.23Å; I49-E181 HydrophobicContact CD1-CG 3.84Å; I49-Q277 HydrophobicContact CG2-CB 4.02Å; I49-Q277 HydrophobicContact CG2-CG 4.41Å
50	K	95.9	Very high	96.8	Very high	20 Å²	20	27.1 Å²	27.1	9%	0.087	15%	0.148	C	C	.	.			trans	-116.7	179.2	172.3	-75.5	-172.7	175	-84.9	0	108.9	H52 Y91 E93 K144 N146 Q279	K50-H52 PolarHBondContact O-N 2.94Å; K50-H52 VanDerWaalsContact O-N 3.07Å; K50-Y91 PolarHBondContact NZ-O 2.84Å; K50-E93 VanDerWaalsContact CE-O 3.32Å; K50-E93 WeakPolarHBondContact CE-O 3.46Å; K50-E93 WeakPolarHBondContact CE-OE1 3.43Å; K50-E93 IonicContact NZ-OE1 3.57Å; K50-E93 PolarHBondContact NZ-OE1 3Å; K50-E93 IonicContact NZ-OE2 2.82Å; K50-E93 PolarHBondContact NZ-OE2 2.98Å; K50-K144 HydrophobicContact CB-CB 4.15Å; K50-K144 HydrophobicContact CD-CB 4.31Å; K50-K144 HydrophobicContact CG-CB 4.31Å; K50-N146 WeakPolarHBondContact CB-OD1 3.42Å; K50-Q279 PolarHBondContact O-NE2 2.89Å
51	S	96.9	Very high	96.9	Very high	45 Å²	45	25.6 Å²	25.6	32%	0.315	14%	0.136	S	C	.	.	S	Bend	trans	-55.4	-29.4	179.4	-51.3	0	0	0	0	112.9	N146 W176 M177	S51-N146 PolarHBondContact N-OD1 3.32Å; S51-N146 PolarHBondContact OG-OD1 3.29Å; S51-W176 CarbonylContact O-C 3.5Å; S51-W176 VanDerWaalsContact O-CA 3.26Å; S51-W176 WeakPolarHBondContact O-CA 3.43Å; S51-M177 PolarHBondContact O-N 3.1Å
52	H	98.3	Very high	96.5	Very high	46 Å²	46	28.3 Å²	28.3	21%	0.213	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.5	178.7	-54.9	-73.4	0	0	0	112.9	K50 K144 C145 N146 L151 G175	K50-H52 PolarHBondContact O-N 2.94Å; K50-H52 VanDerWaalsContact O-N 3.07Å; H52-K144 WeakPolarHBondContact O-CA 3.37Å; H52-C145 WeakPolarHBondContact CA-O 3.38Å; H52-C145 WeakPolarHBondContact CB-O 3.49Å; H52-C145 PolarHBondContact N-O 2.8Å; H52-C145 PolarHBondContact O-N 3.42Å; H52-C145 VanDerWaalsContact O-O 3.05Å; H52-N146 PolarHBondContact CD2-O 2.88Å; H52-N146 VanDerWaalsContact CD2-O 3.31Å; H52-L151 HydrophobicContact CB-CD1 3.55Å; H52-G175 VanDerWaalsContact CA-O 3.29Å; H52-G175 WeakPolarHBondContact CA-O 3.25Å
53	A	98.7	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.9	169.7	0	0	0	0	0	111.8	Y55 A143 K144 Y174 G175	A53-Y55 HydrophobicContact CB-CD2 4.37Å; A53-Y55 HydrophobicContact CB-CE1 4.22Å; A53-Y55 HydrophobicContact CB-CE2 3.69Å; A53-A143 CarbonylContact C-O 3.54Å; A53-A143 WeakPolarHBondContact CA-O 3.23Å; A53-A143 WeakPolarHBondContact CB-O 2.99Å; A53-K144 HydrophobicContact CB-CG 4.42Å; A53-Y174 CarbonylContact O-C 3.37Å; A53-Y174 VanDerWaalsContact O-CA 3.32Å; A53-Y174 WeakPolarHBondContact O-CA 3.35Å; A53-G175 PolarHBondContact N-O 2.82Å; A53-G175 VanDerWaalsContact N-O 3.09Å; A53-G175 PolarHBondContact O-N 2.84Å
54	L	98.8	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.9	168	168.1	68.9	0	0	0	108.4	L56 H142 A143 L151 L154 A155 D172 Y174	L54-L56 HydrophobicContact CD1-CB 4.18Å; L54-L56 HydrophobicContact CD2-CB 4.37Å; L54-L56 HydrophobicContact CG-CB 4.19Å; L54-H142 WeakPolarHBondContact O-CA 3.43Å; L54-A143 HydrophobicContact CB-CB 4.28Å; L54-A143 PolarHBondContact N-O 3.01Å; L54-A143 PolarHBondContact O-N 2.71Å; L54-L151 HydrophobicContact CB-CB 4.15Å; L54-L151 HydrophobicContact CB-CD2 4.08Å; L54-L151 HydrophobicContact CB-CG 4.48Å; L54-L154 HydrophobicContact CD2-CD2 4.49Å; L54-A155 HydrophobicContact CD1-CB 3.96Å; L54-A155 HydrophobicContact CD2-CB 3.79Å; L54-D172 HydrophobicContact CD1-CB 4.09Å; L54-Y174 HydrophobicContact CD1-CD1 4.15Å; L54-Y174 HydrophobicContact CD1-CE1 3.62Å
55	Y	98.9	Very high	95.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	92.1	174.1	-51.6	-83.8	0	0	0	108.4	A53 F140 H142 I173 Q277 Q279 L291 I293	A53-Y55 HydrophobicContact CB-CD2 4.37Å; A53-Y55 HydrophobicContact CB-CE1 4.22Å; A53-Y55 HydrophobicContact CB-CE2 3.69Å; Y55-F140 AromaticContact CD1-CZ 3.96Å; Y55-F140 HydrophobicContact CD1-CZ 3.96Å; Y55-F140 HydrophobicContact CG-CZ 4.4Å; Y55-H142 AromaticContact CD1-CD2 3.64Å; Y55-H142 AromaticContact CE1-CD2 3.45Å; Y55-H142 VanDerWaalsContact CE1-CD2 3.45Å; Y55-H142 WeakPolarHBondContact CE1-CD2 3.4Å; Y55-H142 AromaticContact CE1-NE2 3.46Å; Y55-H142 WeakPolarHBondContact CE1-NE2 3.37Å; Y55-I173 WeakPolarHBondContact CD2-O 3.46Å; Y55-I173 PolarHBondContact N-O 2.96Å; Y55-I173 PolarHBondContact O-N 3.02Å; Y55-Q277 PolarHBondContact OH-O 2.7Å; Y55-Q279 PolarHBondContact OH-N 3.25Å; Y55-L291 HydrophobicContact CD1-CD2 3.38Å; Y55-L291 HydrophobicContact CD2-CB 4.39Å; Y55-L291 HydrophobicContact CD2-CD2 3.1Å; Y55-L291 HydrophobicContact CD2-CG 4.33Å; Y55-L291 HydrophobicContact CE1-CD2 3.86Å; Y55-L291 HydrophobicContact CE2-CB 4.21Å; Y55-L291 HydrophobicContact CE2-CD2 3.59Å; Y55-L291 HydrophobicContact CG-CD2 2.93Å; Y55-L291 HydrophobicContact CG-CG 4.38Å; Y55-I293 HydrophobicContact CE1-CB 4.48Å; Y55-I293 HydrophobicContact CE1-CG2 3.78Å
56	L	98.9	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.8	-177	172.1	66.4	0	0	0	109.7	L54 I58 F140 V141 I158 I159 F170 E171 D172	L54-L56 HydrophobicContact CD1-CB 4.18Å; L54-L56 HydrophobicContact CD2-CB 4.37Å; L54-L56 HydrophobicContact CG-CB 4.19Å; L56-I58 HydrophobicContact CD1-CG1 4.45Å; L56-I58 HydrophobicContact CD2-CD1 4.25Å; L56-I58 HydrophobicContact CD2-CG1 4.33Å; L56-I58 HydrophobicContact CG-CD1 4.46Å; L56-I58 HydrophobicContact CG-CG1 4.02Å; L56-F140 CarbonylContact O-C 3.58Å; L56-F140 VanDerWaalsContact O-CA 3.32Å; L56-F140 WeakPolarHBondContact O-CA 3.4Å; L56-V141 HydrophobicContact CB-CB 4.2Å; L56-V141 HydrophobicContact CD2-CG2 4.48Å; L56-V141 PolarHBondContact N-O 2.82Å; L56-V141 PolarHBondContact O-N 3.25Å; L56-I158 HydrophobicContact CD2-CB 4.22Å; L56-I158 HydrophobicContact CD2-CD1 4.2Å; L56-I158 HydrophobicContact CD2-CG2 3.87Å; L56-I159 HydrophobicContact CD1-CD1 4.15Å; L56-I159 HydrophobicContact CD1-CG1 4.4Å; L56-I159 HydrophobicContact CD2-CG1 4.49Å; L56-F170 HydrophobicContact CD1-CB 4.48Å; L56-F170 HydrophobicContact CD1-CD1 4.26Å; L56-E171 CarbonylContact C-O 3.54Å; L56-E171 WeakPolarHBondContact CA-O 3.36Å; L56-D172 HydrophobicContact CD1-CB 3.99Å
57	T	98.8	Very high	94.5	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.135	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.6	170.3	-48.9	0	0	0	0	109.3	F140 E171 W333	T57-F140 WeakPolarHBondContact OG1-CD2 3.46Å; T57-E171 PolarHBondContact N-O 2.8Å; T57-E171 PolarHBondContact O-N 3.24Å; T57-W333 HydrophobicContact CG2-CH2 3.84Å; T57-W333 HydrophobicContact CG2-CZ2 4.06Å
58	I	98.7	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.7	177.8	-47.1	178.3	0	0	0	107.7	L56 L60 I72 D138 I139 I158 M162 V167 F170	L56-I58 HydrophobicContact CD1-CG1 4.45Å; L56-I58 HydrophobicContact CD2-CD1 4.25Å; L56-I58 HydrophobicContact CD2-CG1 4.33Å; L56-I58 HydrophobicContact CG-CD1 4.46Å; L56-I58 HydrophobicContact CG-CG1 4.02Å; I58-L60 HydrophobicContact CG2-CD2 3.87Å; I58-I72 HydrophobicContact CD1-CD1 4.03Å; I58-D138 PolarHBondContact O-N 3.06Å; I58-D138 VanDerWaalsContact O-N 3.08Å; I58-I139 HydrophobicContact CB-CB 4.15Å; I58-I139 HydrophobicContact CD1-CB 4.31Å; I58-I139 HydrophobicContact CD1-CG2 4.29Å; I58-I139 HydrophobicContact CG1-CB 4.47Å; I58-I139 PolarHBondContact N-O 3.26Å; I58-I139 PolarHBondContact O-N 3.1Å; I58-I158 HydrophobicContact CD1-CG2 4.1Å; I58-M162 HydrophobicContact CD1-SD 4.48Å; I58-M162 HydrophobicContact CG2-CE 4.23Å; I58-V167 HydrophobicContact CG2-CG1 3.98Å; I58-V167 HydrophobicContact CG2-CG2 4.05Å; I58-F170 HydrophobicContact CB-CD1 4.27Å; I58-F170 HydrophobicContact CB-CE1 4.36Å; I58-F170 HydrophobicContact CD1-CE1 4.24Å; I58-F170 HydrophobicContact CG1-CD1 3.94Å; I58-F170 HydrophobicContact CG1-CE1 4.04Å; I58-F170 HydrophobicContact CG2-CD1 3.91Å; I58-F170 HydrophobicContact CG2-CE1 3.64Å
59	H	98.4	Very high	94.5	Very high	32 Å²	32	36.3 Å²	36.3	15%	0.148	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.1	172.9	-60.2	-92.5	0	0	0	108.2	G137 D138 V167 D168 K169 E171	H59-G137 WeakPolarHBondContact ND1-CA 3.49Å; H59-D138 WeakPolarHBondContact CA-OD2 3.44Å; H59-V167 WeakPolarHBondContact O-CG1 2.95Å; H59-D168 PolarHBondContact O-N 3.31Å; H59-K169 HydrophobicContact CB-CB 4.17Å; H59-K169 PolarHBondContact N-O 2.95Å; H59-K169 PolarHBondContact O-N 2.66Å; H59-E171 IonicContact CD2-OE1 3.69Å; H59-E171 IonicContact CE1-OE1 2.72Å; H59-E171 IonicContact NE2-OE1 2.92Å; H59-E171 PolarHBondContact NE2-OE1 2.71Å
60	L	97.8	Very high	94.4	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	155.9	-178.1	-62	178.2	0	0	0	110.8	I58 A64 C68 Y104 D138 I139 M162 C166 V167	I58-L60 HydrophobicContact CG2-CD2 3.87Å; L60-A64 HydrophobicContact CB-CB 3.55Å; L60-A64 HydrophobicContact CD1-CB 4Å; L60-A64 HydrophobicContact CG-CB 4.3Å; L60-C68 HydrophobicContact CD1-CB 4.21Å; L60-C68 HydrophobicContact CD2-CB 4.12Å; L60-Y104 HydrophobicContact CD1-CD1 4.01Å; L60-Y104 HydrophobicContact CD1-CD2 3.75Å; L60-Y104 HydrophobicContact CD1-CE1 3.67Å; L60-Y104 HydrophobicContact CD1-CE2 3.41Å; L60-Y104 VanDerWaalsContact CD1-CE2 3.41Å; L60-Y104 HydrophobicContact CD1-CG 4.05Å; L60-D138 HydrophobicContact CB-CB 4.1Å; L60-D138 HydrophobicContact CD1-CB 3.88Å; L60-D138 HydrophobicContact CG-CB 3.8Å; L60-D138 PolarHBondContact N-OD2 3.04Å; L60-I139 HydrophobicContact CD1-CD1 3.87Å; L60-I139 HydrophobicContact CD1-CG1 4.18Å; L60-I139 HydrophobicContact CD2-CD1 4.38Å; L60-I139 HydrophobicContact CG-CD1 4.41Å; L60-M162 HydrophobicContact CD2-CE 3.78Å; L60-C166 CarbonylContact C-O 3.5Å; L60-C166 VanDerWaalsContact CA-O 3.23Å; L60-C166 WeakPolarHBondContact CA-O 3.38Å; L60-C166 WeakPolarHBondContact CB-O 3.4Å; L60-C166 WeakPolarHBondContact CD2-O 3.26Å; L60-V167 HydrophobicContact CD2-CG2 4.03Å
61	N	94.5	Very high	94.4	Very high	47 Å²	47	40 Å²	40	25%	0.251	20%	0.2	S	C	.	.			trans	-59	147.2	171.3	-168.5	-85.4	0	0	0	111	K63 A64 C166 D168	N61-K63 PolarHBondContact O-N 3.32Å; N61-K63 PolarHBondContact OD1-N 3.24Å; N61-A64 WeakPolarHBondContact O-CA 3.2Å; N61-A64 WeakPolarHBondContact O-CB 3.44Å; N61-A64 PolarHBondContact O-N 3.08Å; N61-C166 PolarHBondContact N-O 2.93Å; N61-D168 WeakPolarHBondContact CA-OD1 3.45Å; N61-D168 WeakPolarHBondContact CA-OD2 3.29Å; N61-D168 WeakPolarHBondContact CB-OD1 3.28Å; N61-D168 PolarHBondContact ND2-OD1 3.47Å
62	S	88.2	Confident	94.4	Very high	89 Å²	89	37.8 Å²	37.8	62%	0.622	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-31.7	175.8	64.2	0	0	0	0	114.6	K107	S62-K107 PolarHBondContact O-NZ 3.23Å
63	K	86.9	Confident	94.3	Very high	184 Å²	184	40.6 Å²	40.6	80%	0.8	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.1	177.8	-61.3	-177.4	-177.1	177.6	0	114	N61 S65	N61-K63 PolarHBondContact O-N 3.32Å; N61-K63 PolarHBondContact OD1-N 3.24Å; K63-S65 PolarHBondContact O-N 3.23Å
64	A	85.8	Confident	94.2	Very high	7 Å²	7	45.1 Å²	45.1	6%	0.058	21%	0.213	C	C	.	.			trans	-56.3	130.4	-178	0	0	0	0	0	111.2	L60 N61 C68 Y104	L60-A64 HydrophobicContact CB-CB 3.55Å; L60-A64 HydrophobicContact CD1-CB 4Å; L60-A64 HydrophobicContact CG-CB 4.3Å; N61-A64 WeakPolarHBondContact O-CA 3.2Å; N61-A64 WeakPolarHBondContact O-CB 3.44Å; N61-A64 PolarHBondContact O-N 3.08Å; A64-C68 HydrophobicContact CB-CB 4.42Å; A64-C68 VanDerWaalsContact CB-SG 3.52Å; A64-Y104 HydrophobicContact CB-CE2 4.49Å
65	S	86	Confident	94.2	Very high	53 Å²	53	45.2 Å²	45.2	37%	0.371	21%	0.214	S	C	.	.			trans	-117.9	-173.6	179.4	78.6	0	0	0	0	109.9	K63 E67 C68 Y104	K63-S65 PolarHBondContact O-N 3.23Å; S65-E67 PolarHBondContact O-N 3.04Å; S65-E67 WeakPolarHBondContact OG-CG 3.44Å; S65-E67 PolarHBondContact OG-OE1 2.98Å; S65-C68 WeakPolarHBondContact O-CB 3.29Å; S65-C68 PolarHBondContact O-N 3.38Å; S65-Y104 PolarHBondContact O-OH 3.32Å; S65-Y104 VanDerWaalsContact O-OH 3.14Å
66	R	91.7	Very high	94	Very high	82 Å²	82	51.4 Å²	51.4	31%	0.309	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.4	-24.1	178.7	-75.1	-176.1	174.8	-174.1	0.3	113.9	C68 L69 I108 Y347	R66-C68 PolarHBondContact O-N 3.17Å; R66-C68 VanDerWaalsContact O-N 3.16Å; R66-L69 VanDerWaalsContact O-CB 3.29Å; R66-L69 WeakPolarHBondContact O-CB 3.44Å; R66-L69 PolarHBondContact O-N 3.32Å; R66-I108 HydrophobicContact CG-CB 3.95Å; R66-I108 HydrophobicContact CG-CG2 3.73Å; R66-I108 VanDerWaalsContact CZ-O 3.26Å; R66-I108 PolarHBondContact NE-O 3.35Å; R66-I108 PolarHBondContact NH2-O 2.91Å; R66-Y347 VanDerWaalsContact NH1-CD2 3.34Å
67	E	89.7	Confident	93.8	Very high	90 Å²	90	56.5 Å²	56.5	42%	0.421	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.1	176.7	74.9	-168.6	144.1	0	0	113	S65 L69 R70 P163	S65-E67 PolarHBondContact O-N 3.04Å; S65-E67 WeakPolarHBondContact OG-CG 3.44Å; S65-E67 PolarHBondContact OG-OE1 2.98Å; E67-L69 PolarHBondContact O-N 3.4Å; E67-R70 WeakPolarHBondContact O-CB 3.36Å; E67-R70 WeakPolarHBondContact O-CG 3.4Å; E67-R70 PolarHBondContact O-N 3.41Å; E67-R70 VanDerWaalsContact O-N 3.15Å; E67-P163 WeakPolarHBondContact O-CG 3.47Å
68	C	91.3	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-69	-11.9	177.9	-56.2	0	0	0	0	112.8	L60 A64 S65 R66 R70 M162 C166	L60-C68 HydrophobicContact CD1-CB 4.21Å; L60-C68 HydrophobicContact CD2-CB 4.12Å; A64-C68 HydrophobicContact CB-CB 4.42Å; A64-C68 VanDerWaalsContact CB-SG 3.52Å; S65-C68 WeakPolarHBondContact O-CB 3.29Å; S65-C68 PolarHBondContact O-N 3.38Å; R66-C68 PolarHBondContact O-N 3.17Å; R66-C68 VanDerWaalsContact O-N 3.16Å; C68-R70 VanDerWaalsContact C-N 3.28Å; C68-R70 PolarHBondContact O-N 3.12Å; C68-M162 WeakPolarHBondContact O-CE 3.49Å; C68-C166 WeakPolarHBondContact CA-SG 3.47Å; C68-C166 HydrophobicContact CB-CB 3.69Å; C68-C166 WeakPolarHBondContact CB-SG 3.45Å; C68-C166 WeakPolarHBondContact SG-CB 3.34Å; C68-C166 CovalentContact SG-SG 2.04Å; C68-C166 PolarHBondContact SG-SG 2.87Å
69	L	95.4	Very high	93.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-78.6	-5.3	172.9	-61.6	177.2	0	0	0	113.6	R66 E67 S71 I72 K73 F100 Y104 I108 I139 L344 V345	R66-L69 VanDerWaalsContact O-CB 3.29Å; R66-L69 WeakPolarHBondContact O-CB 3.44Å; R66-L69 PolarHBondContact O-N 3.32Å; E67-L69 PolarHBondContact O-N 3.4Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.27Å; L69-I72 HydrophobicContact CD2-CG1 4.41Å; L69-I72 WeakPolarHBondContact O-CB 3.49Å; L69-I72 PolarHBondContact O-N 2.75Å; L69-K73 PolarHBondContact O-N 2.87Å; L69-F100 HydrophobicContact CD2-CE1 3.68Å; L69-F100 HydrophobicContact CD2-CZ 4.26Å; L69-Y104 HydrophobicContact CD2-CE1 3.84Å; L69-Y104 HydrophobicContact CG-CE1 4.48Å; L69-Y104 WeakPolarHBondContact CG-OH 3.39Å; L69-I108 HydrophobicContact CD1-CD1 4Å; L69-I108 HydrophobicContact CD1-CG2 4.37Å; L69-I139 HydrophobicContact CD2-CD1 3.85Å; L69-L344 WeakPolarHBondContact CD1-O 3.05Å; L69-V345 HydrophobicContact CB-CG1 4.46Å; L69-V345 HydrophobicContact CD1-CG1 4.35Å
70	R	93.7	Very high	93.4	Very high	130 Å²	130	58.1 Å²	58.1	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-56.7	-38.1	-176.7	-77.9	174.6	-170.5	159.8	9.2	113.8	E67 C68 R74 P163	E67-R70 WeakPolarHBondContact O-CB 3.36Å; E67-R70 WeakPolarHBondContact O-CG 3.4Å; E67-R70 PolarHBondContact O-N 3.41Å; E67-R70 VanDerWaalsContact O-N 3.15Å; C68-R70 VanDerWaalsContact C-N 3.28Å; C68-R70 PolarHBondContact O-N 3.12Å; R70-R74 WeakPolarHBondContact O-CG 3.41Å; R70-P163 HydrophobicContact CB-CG 4.07Å
71	S	95.6	Very high	93.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-42.7	175.4	-162.8	0	0	0	0	111.2	L69 K73 R74 I75 Y78 I158 N161 M162	L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.27Å; S71-K73 VanDerWaalsContact C-N 3.32Å; S71-K73 PolarHBondContact O-N 3.24Å; S71-R74 WeakPolarHBondContact O-CB 3.45Å; S71-R74 PolarHBondContact O-N 2.84Å; S71-I75 PolarHBondContact O-N 3.22Å; S71-Y78 WeakPolarHBondContact O-CE2 3.44Å; S71-Y78 PolarHBondContact OG-OH 3.22Å; S71-I158 PolarHBondContact OG-O 2.91Å; S71-N161 WeakPolarHBondContact CB-O 3.33Å; S71-N161 WeakPolarHBondContact OG-CB 3.37Å; S71-M162 WeakPolarHBondContact CB-SD 3.35Å
72	I	97.6	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-41	179.5	-56	-52.2	0	0	0	111.6	I58 L69 R74 I75 V98 I139 V141 I158 F341 V345	I58-I72 HydrophobicContact CD1-CD1 4.03Å; L69-I72 HydrophobicContact CD2-CG1 4.41Å; L69-I72 WeakPolarHBondContact O-CB 3.49Å; L69-I72 PolarHBondContact O-N 2.75Å; I72-R74 PolarHBondContact O-N 2.75Å; I72-R74 VanDerWaalsContact O-N 3.11Å; I72-I75 WeakPolarHBondContact O-CB 3.23Å; I72-I75 WeakPolarHBondContact O-CG2 3.28Å; I72-I75 PolarHBondContact O-N 3.23Å; I72-I75 VanDerWaalsContact O-N 3.1Å; I72-V98 HydrophobicContact CG2-CB 4.5Å; I72-V98 HydrophobicContact CG2-CG1 3.91Å; I72-V98 HydrophobicContact CG2-CG2 4.18Å; I72-I139 HydrophobicContact CD1-CG2 4Å; I72-I139 HydrophobicContact CG1-CD1 4Å; I72-I139 HydrophobicContact CG1-CG2 4.22Å; I72-V141 HydrophobicContact CD1-CG2 4.47Å; I72-I158 HydrophobicContact CD1-CG2 4.08Å; I72-F341 HydrophobicContact CG2-CE2 3.89Å; I72-F341 HydrophobicContact CG2-CZ 3.84Å; I72-V345 HydrophobicContact CG2-CG1 4.05Å
73	K	95.9	Very high	93.2	Very high	104 Å²	104	59.1 Å²	59.1	45%	0.452	27%	0.274	S	S	.	.	H	α-helix	trans	-53.8	-30.4	173.2	-177.8	-174.1	-178.3	168.8	0	113	L69 S71 V345 R346	L69-K73 PolarHBondContact O-N 2.87Å; S71-K73 VanDerWaalsContact C-N 3.32Å; S71-K73 PolarHBondContact O-N 3.24Å; K73-V345 HydrophobicContact CB-CB 4.1Å; K73-V345 HydrophobicContact CB-CG2 4.23Å; K73-V345 WeakPolarHBondContact CB-O 3.3Å; K73-V345 VanDerWaalsContact CD-O 3.23Å; K73-V345 WeakPolarHBondContact CD-O 3.22Å; K73-V345 HydrophobicContact CG-CG2 4.34Å; K73-V345 VanDerWaalsContact CG-O 3.28Å; K73-V345 WeakPolarHBondContact CG-O 3.27Å; K73-R346 PolarHBondContact NZ-O 2.8Å
74	R	96.7	Very high	92.8	Very high	96 Å²	96	52.2 Å²	52.2	36%	0.362	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	4.1	-175	-63.7	175.2	71.4	-164.7	-2.5	112.9	R70 S71 I72 E76 K77 Y78 N161	R70-R74 WeakPolarHBondContact O-CG 3.41Å; S71-R74 WeakPolarHBondContact O-CB 3.45Å; S71-R74 PolarHBondContact O-N 2.84Å; I72-R74 PolarHBondContact O-N 2.75Å; I72-R74 VanDerWaalsContact O-N 3.11Å; R74-E76 VanDerWaalsContact C-N 3.3Å; R74-E76 PolarHBondContact O-N 2.75Å; R74-K77 WeakPolarHBondContact O-CA 3.3Å; R74-K77 VanDerWaalsContact O-CB 3.3Å; R74-K77 WeakPolarHBondContact O-CB 3.35Å; R74-K77 PolarHBondContact O-N 3.34Å; R74-Y78 HydrophobicContact CB-CE1 3.79Å; R74-Y78 HydrophobicContact CB-CE2 3.93Å; R74-Y78 VanDerWaalsContact CB-CZ 3.44Å; R74-Y78 WeakPolarHBondContact CB-OH 3.41Å; R74-Y78 PolarHBondContact O-N 3.21Å; R74-N161 PolarHBondContact NH1-OD1 3.15Å
75	I	97.4	Very high	92.1	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-40.6	-175.5	-164.5	169	0	0	0	112.8	S71 I72 K77 Y78 V79 Y96 V98 V141 L154 I158	S71-I75 PolarHBondContact O-N 3.22Å; I72-I75 WeakPolarHBondContact O-CB 3.23Å; I72-I75 WeakPolarHBondContact O-CG2 3.28Å; I72-I75 PolarHBondContact O-N 3.23Å; I72-I75 VanDerWaalsContact O-N 3.1Å; I75-K77 VanDerWaalsContact C-N 3.28Å; I75-K77 PolarHBondContact O-N 2.83Å; I75-Y78 WeakPolarHBondContact O-CB 3.48Å; I75-Y78 PolarHBondContact O-N 3.37Å; I75-Y78 VanDerWaalsContact O-N 3.1Å; I75-V79 WeakPolarHBondContact O-CG2 3.28Å; I75-V79 PolarHBondContact O-N 3.06Å; I75-Y96 HydrophobicContact CB-CE2 4.37Å; I75-Y96 HydrophobicContact CD1-CD2 3.66Å; I75-Y96 HydrophobicContact CD1-CE2 3.92Å; I75-Y96 HydrophobicContact CD1-CG 4.25Å; I75-Y96 HydrophobicContact CG1-CD2 4.22Å; I75-Y96 HydrophobicContact CG1-CE2 4.13Å; I75-Y96 HydrophobicContact CG2-CD2 4.23Å; I75-Y96 HydrophobicContact CG2-CE2 3.37Å; I75-V98 HydrophobicContact CD1-CG2 4.11Å; I75-V141 HydrophobicContact CD1-CG1 3.84Å; I75-L154 HydrophobicContact CG1-CD1 3.97Å; I75-I158 HydrophobicContact CD1-CD1 3.7Å; I75-I158 HydrophobicContact CD1-CG1 4.44Å; I75-I158 HydrophobicContact CG1-CD1 4.07Å; I75-I158 HydrophobicContact CG1-CG1 4.38Å
76	E	95.1	Very high	91.4	Very high	132 Å²	132	69.5 Å²	69.5	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-61.8	-37.5	175.5	-174.7	178.4	-166.3	0	0	112	R74 S80	R74-E76 VanDerWaalsContact C-N 3.3Å; R74-E76 PolarHBondContact O-N 2.75Å; E76-S80 WeakPolarHBondContact O-CB 3.35Å; E76-S80 PolarHBondContact O-N 3.27Å; E76-S80 PolarHBondContact O-OG 2.97Å
77	K	95.9	Very high	90.4	Very high	107 Å²	107	72.6 Å²	72.6	47%	0.465	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-42.1	174	174.5	175.5	175.4	170.3	0	110.9	R74 I75 S80 Q81	R74-K77 WeakPolarHBondContact O-CA 3.3Å; R74-K77 VanDerWaalsContact O-CB 3.3Å; R74-K77 WeakPolarHBondContact O-CB 3.35Å; R74-K77 PolarHBondContact O-N 3.34Å; I75-K77 VanDerWaalsContact C-N 3.28Å; I75-K77 PolarHBondContact O-N 2.83Å; K77-S80 PolarHBondContact O-N 3.38Å; K77-Q81 HydrophobicContact CG-CG 4.48Å; K77-Q81 WeakPolarHBondContact O-CB 3.3Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 2.69Å
78	Y	97.3	Very high	89.7	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-47.1	177.2	-53.2	-32.8	0	0	0	111.2	S71 R74 I75 S80 Q81 I82 I158 N161	S71-Y78 WeakPolarHBondContact O-CE2 3.44Å; S71-Y78 PolarHBondContact OG-OH 3.22Å; R74-Y78 HydrophobicContact CB-CE1 3.79Å; R74-Y78 HydrophobicContact CB-CE2 3.93Å; R74-Y78 VanDerWaalsContact CB-CZ 3.44Å; R74-Y78 WeakPolarHBondContact CB-OH 3.41Å; R74-Y78 PolarHBondContact O-N 3.21Å; I75-Y78 WeakPolarHBondContact O-CB 3.48Å; I75-Y78 PolarHBondContact O-N 3.37Å; I75-Y78 VanDerWaalsContact O-N 3.1Å; Y78-S80 VanDerWaalsContact C-N 3.32Å; Y78-S80 PolarHBondContact O-N 3.35Å; Y78-Q81 PolarHBondContact O-N 3.25Å; Y78-Q81 VanDerWaalsContact O-N 3.1Å; Y78-I82 WeakPolarHBondContact O-CD1 3.49Å; Y78-I82 VanDerWaalsContact O-CG1 3.32Å; Y78-I82 WeakPolarHBondContact O-CG1 3.46Å; Y78-I82 PolarHBondContact O-N 2.95Å; Y78-I158 HydrophobicContact CD2-CG1 4Å; Y78-I158 HydrophobicContact CE2-CG1 4.27Å; Y78-N161 WeakPolarHBondContact OH-CB 3.42Å
79	V	95.7	Very high	88.8	Confident	18 Å²	18	71.2 Å²	71.2	11%	0.109	34%	0.338	C	S	.	.	H	α-helix	trans	-55.4	-48.1	174.6	170.1	0	0	0	0	110.8	I75 Q81 I82 C83 I94 Y96 L154	I75-V79 WeakPolarHBondContact O-CG2 3.28Å; I75-V79 PolarHBondContact O-N 3.06Å; V79-Q81 VanDerWaalsContact C-N 3.25Å; V79-Q81 PolarHBondContact O-N 2.7Å; V79-I82 PolarHBondContact O-N 3.27Å; V79-C83 CarbonylContact O-C 3.57Å; V79-C83 WeakPolarHBondContact O-CA 3.34Å; V79-C83 WeakPolarHBondContact O-CB 3.44Å; V79-C83 PolarHBondContact O-N 3.36Å; V79-I94 HydrophobicContact CG1-CB 4.06Å; V79-I94 HydrophobicContact CG1-CD1 4.44Å; V79-I94 HydrophobicContact CG2-CB 4.34Å; V79-I94 HydrophobicContact CG2-CD1 4.46Å; V79-I94 HydrophobicContact CG2-CG2 4.28Å; V79-Y96 HydrophobicContact CG2-CD1 3.89Å; V79-Y96 HydrophobicContact CG2-CE1 3.99Å; V79-L154 HydrophobicContact CG2-CD1 3.88Å; V79-L154 HydrophobicContact CG2-CD2 4.33Å
80	S	93.3	Very high	87.6	Confident	67 Å²	67	81.3 Å²	81.3	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-27.4	179.7	-56.9	0	0	0	0	113.9	E76 K77 Y78 S84	E76-S80 WeakPolarHBondContact O-CB 3.35Å; E76-S80 PolarHBondContact O-N 3.27Å; E76-S80 PolarHBondContact O-OG 2.97Å; K77-S80 PolarHBondContact O-N 3.38Å; Y78-S80 VanDerWaalsContact C-N 3.32Å; Y78-S80 PolarHBondContact O-N 3.35Å; S80-S84 WeakPolarHBondContact O-CA 3.36Å; S80-S84 PolarHBondContact O-N 3.49Å
81	Q	93.9	Very high	86.7	Confident	126 Å²	126	83.1 Å²	83.1	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-79.5	-38.1	178.1	-76.2	175.9	-38.8	0	0	112.3	K77 Y78 V79	K77-Q81 HydrophobicContact CG-CG 4.48Å; K77-Q81 WeakPolarHBondContact O-CB 3.3Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 2.69Å; Y78-Q81 PolarHBondContact O-N 3.25Å; Y78-Q81 VanDerWaalsContact O-N 3.1Å; V79-Q81 VanDerWaalsContact C-N 3.25Å; V79-Q81 PolarHBondContact O-N 2.7Å
82	I	93.9	Very high	86.2	Confident	28 Å²	28	86.2 Å²	86.2	14%	0.144	40%	0.401	C	S	.	.	H	α-helix	trans	-73.5	-44	176.9	-64.2	160.7	0	0	0	109.9	Y78 V79 I94 M150 D153 L154	Y78-I82 WeakPolarHBondContact O-CD1 3.49Å; Y78-I82 VanDerWaalsContact O-CG1 3.32Å; Y78-I82 WeakPolarHBondContact O-CG1 3.46Å; Y78-I82 PolarHBondContact O-N 2.95Å; V79-I82 PolarHBondContact O-N 3.27Å; I82-I94 HydrophobicContact CB-CD1 4.38Å; I82-I94 HydrophobicContact CG2-CD1 4.03Å; I82-M150 HydrophobicContact CG2-CB 3.85Å; I82-M150 HydrophobicContact CG2-CG 3.76Å; I82-M150 HydrophobicContact CG2-SD 4.38Å; I82-D153 VanDerWaalsContact CD1-C 3.49Å; I82-D153 HydrophobicContact CD1-CB 3.83Å; I82-D153 HydrophobicContact CG1-CB 3.92Å; I82-D153 HydrophobicContact CG2-CB 4.28Å; I82-L154 VanDerWaalsContact CD1-CA 3.5Å; I82-L154 HydrophobicContact CD1-CB 3.93Å; I82-L154 HydrophobicContact CD1-CD1 4.44Å; I82-L154 VanDerWaalsContact CD1-N 3.31Å
83	C	87.7	Confident	85.9	Confident	12 Å²	12	88.9 Å²	88.9	8%	0.081	41%	0.413	C	S	.	.	S	Bend	trans	-134.5	78.2	-166	175.1	0	0	0	0	108.3	V79 C88 I94 M150	V79-C83 CarbonylContact O-C 3.57Å; V79-C83 WeakPolarHBondContact O-CA 3.34Å; V79-C83 WeakPolarHBondContact O-CB 3.44Å; V79-C83 PolarHBondContact O-N 3.36Å; C83-C88 WeakPolarHBondContact CA-SG 3.46Å; C83-C88 HydrophobicContact CB-CB 4.31Å; C83-C88 WeakPolarHBondContact CB-SG 3.36Å; C83-C88 WeakPolarHBondContact SG-CB 3.37Å; C83-C88 CovalentContact SG-SG 1.98Å; C83-C88 PolarHBondContact SG-SG 3Å; C83-I94 HydrophobicContact CB-CD1 4.25Å; C83-I94 HydrophobicContact CB-CG1 4.44Å; C83-M150 HydrophobicContact CB-SD 4.01Å
84	S	78.4	Confident	85.9	Confident	40 Å²	40	84.2 Å²	84.2	28%	0.28	39%	0.393	S	S	.	.			trans	-69.5	153.7	178.6	82.4	0	0	0	0	110.6	S80 H86 M87 C88	S80-S84 WeakPolarHBondContact O-CA 3.36Å; S80-S84 PolarHBondContact O-N 3.49Å; S84-H86 PolarHBondContact O-N 3.39Å; S84-M87 PolarHBondContact O-N 2.86Å; S84-M87 WeakPolarHBondContact OG-CG 3.03Å; S84-M87 PolarHBondContact OG-N 3.11Å; S84-C88 PolarHBondContact O-N 3.1Å
85	R	71.3	Confident	85.9	Confident	238 Å²	238	80.8 Å²	80.8	90%	0.898	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.7	-179	-169	175.4	-178.8	178.4	0.8	114
86	H	71.1	Confident	85.9	Confident	185 Å²	185	82 Å²	82	86%	0.856	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-24.8	178.4	-61	-67.3	0	0	0	113.4	S84	S84-H86 PolarHBondContact O-N 3.39Å
87	M	70.8	Confident	86.1	Confident	147 Å²	147	75.8 Å²	75.8	72%	0.724	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-41.5	-177.6	-72.6	-108.5	-69.7	0	0	111.8	S84 G89	S84-M87 PolarHBondContact O-N 2.86Å; S84-M87 WeakPolarHBondContact OG-CG 3.03Å; S84-M87 PolarHBondContact OG-N 3.11Å; M87-G89 PolarHBondContact O-N 3.28Å
88	C	76.5	Confident	86.2	Confident	22 Å²	22	70.7 Å²	70.7	15%	0.149	34%	0.335	C	S	.	.	S	Bend	trans	-82.7	115.8	-178.5	-74.1	0	0	0	0	111	C83 S84	C83-C88 WeakPolarHBondContact CA-SG 3.46Å; C83-C88 HydrophobicContact CB-CB 4.31Å; C83-C88 WeakPolarHBondContact CB-SG 3.36Å; C83-C88 WeakPolarHBondContact SG-CB 3.37Å; C83-C88 CovalentContact SG-SG 1.98Å; C83-C88 PolarHBondContact SG-SG 3Å; S84-C88 PolarHBondContact O-N 3.1Å
89	G	71.8	Confident	86.3	Confident	38 Å²	38	70.6 Å²	70.6	39%	0.392	34%	0.335	S	S	.	.			trans	-59.7	165.3	162.2	0	0	0	0	0	110.6	M87 Y91 D92	M87-G89 PolarHBondContact O-N 3.28Å; G89-Y91 PolarHBondContact O-N 2.96Å; G89-D92 PolarHBondContact O-N 3.46Å; G89-D92 VanDerWaalsContact O-N 3.1Å
90	R	70.2	Confident	86.4	Confident	214 Å²	214	69.7 Å²	69.7	81%	0.808	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-8.1	175.7	179.5	173.1	177.8	178.2	1.2	114.5
91	Y	74.5	Confident	86.7	Confident	168 Å²	168	66.6 Å²	66.6	66%	0.659	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-24	-177.8	-60	-72.1	0	0	0	112.7	K50 G89 E93 N146	K50-Y91 PolarHBondContact NZ-O 2.84Å; G89-Y91 PolarHBondContact O-N 2.96Å; Y91-E93 WeakPolarHBondContact CA-OE2 3.39Å; Y91-E93 PolarHBondContact N-OE2 3.42Å; Y91-N146 VanDerWaalsContact O-CG 3.27Å; Y91-N146 PolarHBondContact O-ND2 3.46Å
92	D	84.7	Confident	86.8	Confident	64 Å²	64	60.7 Å²	60.7	34%	0.342	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9.5	-172.7	-54.5	-44.1	0	0	0	113	G89 C145	G89-D92 PolarHBondContact O-N 3.46Å; G89-D92 VanDerWaalsContact O-N 3.1Å; D92-C145 PolarHBondContact O-SG 2.99Å
93	E	92.4	Very high	86.9	Confident	57 Å²	57	63.1 Å²	63.1	27%	0.266	29%	0.294	S	S	.	.			trans	-64.6	141.3	175.5	80.8	-70.1	178.2	0	0	111.9	K50 Y91 L95	K50-E93 VanDerWaalsContact CE-O 3.32Å; K50-E93 WeakPolarHBondContact CE-O 3.46Å; K50-E93 WeakPolarHBondContact CE-OE1 3.43Å; K50-E93 IonicContact NZ-OE1 3.57Å; K50-E93 PolarHBondContact NZ-OE1 3Å; K50-E93 IonicContact NZ-OE2 2.82Å; K50-E93 PolarHBondContact NZ-OE2 2.98Å; Y91-E93 WeakPolarHBondContact CA-OE2 3.39Å; Y91-E93 PolarHBondContact N-OE2 3.42Å; E93-L95 HydrophobicContact CG-CD2 3.63Å; E93-L95 HydrophobicContact CG-CG 4.01Å; E93-L95 PolarHBondContact O-N 3.36Å
94	I	95.8	Very high	87.3	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.031	29%	0.29	C	S	.	.			trans	-85.4	111.9	173.3	-53.6	169.5	0	0	0	108.8	V79 I82 C83 A143 K144 C145 M150 L151 L154	V79-I94 HydrophobicContact CG1-CB 4.06Å; V79-I94 HydrophobicContact CG1-CD1 4.44Å; V79-I94 HydrophobicContact CG2-CB 4.34Å; V79-I94 HydrophobicContact CG2-CD1 4.46Å; V79-I94 HydrophobicContact CG2-CG2 4.28Å; I82-I94 HydrophobicContact CB-CD1 4.38Å; I82-I94 HydrophobicContact CG2-CD1 4.03Å; C83-I94 HydrophobicContact CB-CD1 4.25Å; C83-I94 HydrophobicContact CB-CG1 4.44Å; I94-A143 HydrophobicContact CG2-CB 4.08Å; I94-K144 WeakPolarHBondContact CA-O 3.11Å; I94-C145 HydrophobicContact CG1-CB 4.27Å; I94-M150 HydrophobicContact CD1-CB 4.05Å; I94-M150 HydrophobicContact CG1-CB 4.29Å; I94-L151 HydrophobicContact CG2-CD2 4.21Å; I94-L154 HydrophobicContact CG2-CD2 3.84Å
95	L	96.2	Very high	88.2	Confident	24 Å²	24	60.7 Å²	60.7	13%	0.126	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.6	173.2	-57.1	179.8	0	0	0	108.6	Q43 E93 A143 K144	Q43-L95 HydrophobicContact CB-CB 4.26Å; Q43-L95 HydrophobicContact CB-CD2 4.36Å; E93-L95 HydrophobicContact CG-CD2 3.63Å; E93-L95 HydrophobicContact CG-CG 4.01Å; E93-L95 PolarHBondContact O-N 3.36Å; L95-A143 CarbonylContact O-C 3.59Å; L95-A143 VanDerWaalsContact O-CA 3.29Å; L95-A143 WeakPolarHBondContact O-CA 3.35Å; L95-K144 PolarHBondContact N-O 2.91Å; L95-K144 PolarHBondContact O-N 3.5Å
96	Y	97.9	Very high	89.3	Confident	28 Å²	28	53.3 Å²	53.3	11%	0.11	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	168	-175.8	74.5	-86	0	0	0	113.6	Q43 S44 I75 V79 V98 H142	Q43-Y96 PolarHBondContact N-O 2.99Å; S44-Y96 PolarHBondContact N-O 3.47Å; I75-Y96 HydrophobicContact CB-CE2 4.37Å; I75-Y96 HydrophobicContact CD1-CD2 3.66Å; I75-Y96 HydrophobicContact CD1-CE2 3.92Å; I75-Y96 HydrophobicContact CD1-CG 4.25Å; I75-Y96 HydrophobicContact CG1-CD2 4.22Å; I75-Y96 HydrophobicContact CG1-CE2 4.13Å; I75-Y96 HydrophobicContact CG2-CD2 4.23Å; I75-Y96 HydrophobicContact CG2-CE2 3.37Å; V79-Y96 HydrophobicContact CG2-CD1 3.89Å; V79-Y96 HydrophobicContact CG2-CE1 3.99Å; Y96-V98 HydrophobicContact CD2-CG2 4.34Å; Y96-H142 CarbonylContact C-O 3.44Å; Y96-H142 VanDerWaalsContact CA-O 3.26Å; Y96-H142 WeakPolarHBondContact CA-O 3.08Å
97	G	98.5	Very high	90.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	154.6	166.3	0	0	0	0	0	110.5	Q42 S44 H142	Q42-G97 VanDerWaalsContact OE1-CA 3.22Å; S44-G97 VanDerWaalsContact OG-CA 3.25Å; S44-G97 WeakPolarHBondContact OG-CA 3.34Å; S44-G97 PolarHBondContact OG-N 2.99Å; G97-H142 PolarHBondContact N-O 2.88Å; G97-H142 PolarHBondContact O-N 2.76Å
98	V	98.8	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.2	-176.5	-173.2	0	0	0	0	109.1	Q42 I72 I75 Y96 F100 I139 F140 V141 F341	Q42-V98 PolarHBondContact NE2-O 3.19Å; I72-V98 HydrophobicContact CG2-CB 4.5Å; I72-V98 HydrophobicContact CG2-CG1 3.91Å; I72-V98 HydrophobicContact CG2-CG2 4.18Å; I75-V98 HydrophobicContact CD1-CG2 4.11Å; Y96-V98 HydrophobicContact CD2-CG2 4.34Å; V98-F100 HydrophobicContact CG1-CE1 4.37Å; V98-F100 HydrophobicContact CG1-CZ 4.14Å; V98-I139 HydrophobicContact CG1-CG2 3.65Å; V98-F140 CarbonylContact C-O 3.54Å; V98-F140 VanDerWaalsContact CA-O 3.3Å; V98-F140 WeakPolarHBondContact CA-O 3.38Å; V98-V141 HydrophobicContact CG1-CG2 4.44Å; V98-V141 HydrophobicContact CG2-CG2 4.23Å; V98-F341 HydrophobicContact CB-CD2 4.26Å; V98-F341 HydrophobicContact CB-CE2 3.55Å; V98-F341 HydrophobicContact CB-CZ 4.07Å; V98-F341 HydrophobicContact CG1-CE2 3.99Å; V98-F341 HydrophobicContact CG2-CE2 3.89Å; V98-F341 HydrophobicContact CG2-CZ 3.86Å
99	G	98.7	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	159.5	172.5	0	0	0	0	0	111.9	F140 Y334	G99-F140 PolarHBondContact N-O 3.2Å; G99-F140 PolarHBondContact O-N 3.26Å; G99-Y334 CarbonylContact C-O 3.57Å; G99-Y334 VanDerWaalsContact CA-O 3.23Å; G99-Y334 WeakPolarHBondContact CA-O 3.48Å
100	F	98.6	Very high	93.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.6	177.2	-59.8	-75.9	0	0	0	110.8	L69 V98 Y104 F105 I108 Y120 D138 I139 Y334 P336 F341 L344	L69-F100 HydrophobicContact CD2-CE1 3.68Å; L69-F100 HydrophobicContact CD2-CZ 4.26Å; V98-F100 HydrophobicContact CG1-CE1 4.37Å; V98-F100 HydrophobicContact CG1-CZ 4.14Å; F100-Y104 HydrophobicContact CD1-CD1 4.02Å; F100-Y104 HydrophobicContact CD1-CE1 4.18Å; F100-Y104 HydrophobicContact CE1-CE1 4.39Å; F100-F105 HydrophobicContact CB-CB 3.98Å; F100-F105 HydrophobicContact CB-CD2 3.71Å; F100-F105 HydrophobicContact CB-CG 4.24Å; F100-F105 HydrophobicContact CD2-CD2 4Å; F100-F105 HydrophobicContact CD2-CE2 4.23Å; F100-F105 HydrophobicContact CG-CD2 4.04Å; F100-I108 HydrophobicContact CD1-CD1 3.94Å; F100-I108 HydrophobicContact CE1-CD1 3.99Å; F100-I108 HydrophobicContact CG-CD1 4.23Å; F100-I108 HydrophobicContact CZ-CD1 4.32Å; F100-Y120 WeakPolarHBondContact O-CE2 3.45Å; F100-Y120 PolarHBondContact O-OH 2.94Å; F100-D138 WeakPolarHBondContact CA-O 3.23Å; F100-I139 HydrophobicContact CD1-CG1 4.08Å; F100-I139 HydrophobicContact CE1-CG1 4.13Å; F100-I139 HydrophobicContact CE1-CG2 4.36Å; F100-Y334 PolarHBondContact N-O 3.33Å; F100-Y334 PolarHBondContact O-N 3.05Å; F100-P336 HydrophobicContact CD2-CG 3.87Å; F100-P336 HydrophobicContact CE2-CG 3.87Å; F100-F341 HydrophobicContact CE2-CD2 4.15Å; F100-F341 HydrophobicContact CE2-CE2 4.47Å; F100-F341 HydrophobicContact CZ-CD2 4.3Å; F100-F341 HydrophobicContact CZ-CE2 4.21Å; F100-L344 HydrophobicContact CE2-CD1 4.16Å
101	G	98.4	Very high	94.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149.4	169.3	0	0	0	0	0	110.4	D103 Y104 F105 G137 D138	G101-D103 VanDerWaalsContact C-N 3.31Å; G101-D103 PolarHBondContact O-N 2.92Å; G101-Y104 PolarHBondContact O-N 2.87Å; G101-F105 VanDerWaalsContact O-CB 3.26Å; G101-F105 WeakPolarHBondContact O-CB 3.46Å; G101-F105 PolarHBondContact O-N 3.18Å; G101-G137 WeakPolarHBondContact CA-O 3.49Å; G101-D138 PolarHBondContact N-O 3.37Å
102	I	97.4	Very high	95.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-40.1	-170.3	-178	59.8	0	0	0	113.4	F105 R106 F112 Y120 E121	I102-F105 PolarHBondContact O-N 3.08Å; I102-R106 HydrophobicContact CD1-CG 4.27Å; I102-R106 VanDerWaalsContact O-CG 3.29Å; I102-R106 WeakPolarHBondContact O-CG 3.44Å; I102-R106 PolarHBondContact O-N 3.39Å; I102-F112 HydrophobicContact CD1-CE2 4.18Å; I102-F112 HydrophobicContact CD1-CZ 4.06Å; I102-Y120 HydrophobicContact CB-CD2 3.86Å; I102-Y120 HydrophobicContact CB-CE2 3.59Å; I102-Y120 HydrophobicContact CB-CG 4.44Å; I102-Y120 HydrophobicContact CD1-CD1 3.89Å; I102-Y120 HydrophobicContact CD1-CD2 4.46Å; I102-Y120 HydrophobicContact CD1-CE1 3.57Å; I102-Y120 HydrophobicContact CD1-CE2 4.18Å; I102-Y120 HydrophobicContact CD1-CG 4.32Å; I102-Y120 HydrophobicContact CG1-CE2 4.43Å; I102-E121 WeakPolarHBondContact CG1-OE1 3.3Å; I102-E121 WeakPolarHBondContact CG2-OE1 3.44Å
103	D	95.1	Very high	95.8	Very high	80 Å²	80	32.4 Å²	32.4	43%	0.428	16%	0.159	S	C	.	.	H	α-helix	trans	-69.1	-42.9	-175.6	-67.8	-36.5	0	0	0	111.9	G101 R106	G101-D103 VanDerWaalsContact C-N 3.31Å; G101-D103 PolarHBondContact O-N 2.92Å; D103-R106 IonicContact OD1-NH1 2.95Å; D103-R106 PolarHBondContact OD1-NH1 3.05Å
104	Y	96.4	Very high	95.8	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-70.7	-39.2	173.1	-174.4	-121.1	0	0	0	112.3	L60 A64 S65 L69 F100 G101 R106 K107 I108 D138 I139	L60-Y104 HydrophobicContact CD1-CD1 4.01Å; L60-Y104 HydrophobicContact CD1-CD2 3.75Å; L60-Y104 HydrophobicContact CD1-CE1 3.67Å; L60-Y104 HydrophobicContact CD1-CE2 3.41Å; L60-Y104 VanDerWaalsContact CD1-CE2 3.41Å; L60-Y104 HydrophobicContact CD1-CG 4.05Å; A64-Y104 HydrophobicContact CB-CE2 4.49Å; S65-Y104 PolarHBondContact O-OH 3.32Å; S65-Y104 VanDerWaalsContact O-OH 3.14Å; L69-Y104 HydrophobicContact CD2-CE1 3.84Å; L69-Y104 HydrophobicContact CG-CE1 4.48Å; L69-Y104 WeakPolarHBondContact CG-OH 3.39Å; F100-Y104 HydrophobicContact CD1-CD1 4.02Å; F100-Y104 HydrophobicContact CD1-CE1 4.18Å; F100-Y104 HydrophobicContact CE1-CE1 4.39Å; G101-Y104 PolarHBondContact O-N 2.87Å; Y104-R106 VanDerWaalsContact C-N 3.28Å; Y104-R106 PolarHBondContact O-N 3.27Å; Y104-K107 HydrophobicContact CD2-CD 4.46Å; Y104-K107 WeakPolarHBondContact O-CA 3.19Å; Y104-K107 WeakPolarHBondContact O-CB 3.26Å; Y104-K107 PolarHBondContact O-N 3.46Å; Y104-I108 HydrophobicContact CD1-CD1 4.28Å; Y104-I108 HydrophobicContact CD1-CG2 4.41Å; Y104-I108 HydrophobicContact CD2-CG2 4.27Å; Y104-I108 HydrophobicContact CE1-CD1 4.03Å; Y104-I108 HydrophobicContact CE1-CG2 3.88Å; Y104-I108 HydrophobicContact CE2-CG2 3.69Å; Y104-I108 VanDerWaalsContact CZ-CG2 3.48Å; Y104-I108 PolarHBondContact O-N 2.89Å; Y104-D138 WeakPolarHBondContact CB-OD1 3.3Å; Y104-D138 HydrophobicContact CD1-CB 4.18Å; Y104-D138 HydrophobicContact CG-CB 3.95Å; Y104-I139 HydrophobicContact CD1-CG1 4.01Å; Y104-I139 HydrophobicContact CE1-CD1 3.95Å; Y104-I139 HydrophobicContact CE1-CG1 3.81Å
105	F	96.1	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-38.3	177.9	-167.1	-112	0	0	0	112.4	F100 G101 I102 K107 I108 S109 F112 I117 Y120 Y334 P336 L344	F100-F105 HydrophobicContact CB-CB 3.98Å; F100-F105 HydrophobicContact CB-CD2 3.71Å; F100-F105 HydrophobicContact CB-CG 4.24Å; F100-F105 HydrophobicContact CD2-CD2 4Å; F100-F105 HydrophobicContact CD2-CE2 4.23Å; F100-F105 HydrophobicContact CG-CD2 4.04Å; G101-F105 VanDerWaalsContact O-CB 3.26Å; G101-F105 WeakPolarHBondContact O-CB 3.46Å; G101-F105 PolarHBondContact O-N 3.18Å; I102-F105 PolarHBondContact O-N 3.08Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.97Å; F105-I108 HydrophobicContact CD2-CD1 4.35Å; F105-I108 HydrophobicContact CD2-CG1 4.38Å; F105-I108 PolarHBondContact O-N 2.82Å; F105-S109 WeakPolarHBondContact O-CA 3.44Å; F105-S109 WeakPolarHBondContact O-CB 3.14Å; F105-S109 PolarHBondContact O-N 2.9Å; F105-F112 HydrophobicContact CD1-CB 4.15Å; F105-F112 HydrophobicContact CD1-CD2 4.23Å; F105-F112 HydrophobicContact CD1-CG 4.11Å; F105-F112 HydrophobicContact CE1-CB 3.5Å; F105-F112 VanDerWaalsContact CE1-CB 3.5Å; F105-F112 HydrophobicContact CE1-CD2 4.02Å; F105-F112 AromaticContact CE1-CG 3.88Å; F105-F112 HydrophobicContact CE1-CG 3.88Å; F105-F112 HydrophobicContact CZ-CB 4.3Å; F105-I117 HydrophobicContact CE1-CD1 3.84Å; F105-I117 HydrophobicContact CE1-CG2 4.17Å; F105-I117 HydrophobicContact CZ-CD1 3.74Å; F105-Y120 WeakPolarHBondContact CB-OH 3.49Å; F105-Y120 HydrophobicContact CD1-CE1 4.2Å; F105-Y120 WeakPolarHBondContact CD1-OH 3.45Å; F105-Y120 WeakPolarHBondContact CG-OH 3.27Å; F105-Y334 HydrophobicContact CE1-CD1 4.15Å; F105-Y334 HydrophobicContact CE2-CD1 4.11Å; F105-Y334 AromaticContact CZ-CD1 3.74Å; F105-Y334 HydrophobicContact CZ-CD1 3.74Å; F105-Y334 HydrophobicContact CZ-CE1 4.03Å; F105-P336 HydrophobicContact CE2-CG 4.35Å; F105-L344 HydrophobicContact CE2-CD1 3.75Å
106	R	95.1	Very high	95.4	Very high	82 Å²	82	40.5 Å²	40.5	31%	0.309	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-40.1	172	-77.7	169.6	176.1	149.8	0.6	112.5	I102 D103 Y104 P110 F112 S119 E121	I102-R106 HydrophobicContact CD1-CG 4.27Å; I102-R106 VanDerWaalsContact O-CG 3.29Å; I102-R106 WeakPolarHBondContact O-CG 3.44Å; I102-R106 PolarHBondContact O-N 3.39Å; D103-R106 IonicContact OD1-NH1 2.95Å; D103-R106 PolarHBondContact OD1-NH1 3.05Å; Y104-R106 VanDerWaalsContact C-N 3.28Å; Y104-R106 PolarHBondContact O-N 3.27Å; R106-P110 WeakPolarHBondContact O-CA 3.05Å; R106-F112 HydrophobicContact CG-CE1 3.8Å; R106-F112 HydrophobicContact CG-CZ 4.22Å; R106-S119 PolarHBondContact NH2-OG 3.42Å; R106-E121 IonicContact CZ-OE1 3.72Å; R106-E121 IonicContact NH1-OE1 3.52Å; R106-E121 PolarHBondContact NH1-OE1 2.82Å; R106-E121 IonicContact NH2-OE1 3.74Å; R106-E121 PolarHBondContact NH2-OE1 2.79Å
107	K	93.6	Very high	95.4	Very high	107 Å²	107	39.3 Å²	39.3	47%	0.465	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-48.4	178.4	-64.6	177.7	-175.4	175	0	111.4	S62 Y104 F105 S109	S62-K107 PolarHBondContact O-NZ 3.23Å; Y104-K107 HydrophobicContact CD2-CD 4.46Å; Y104-K107 WeakPolarHBondContact O-CA 3.19Å; Y104-K107 WeakPolarHBondContact O-CB 3.26Å; Y104-K107 PolarHBondContact O-N 3.46Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.97Å; K107-S109 VanDerWaalsContact C-N 3.33Å
108	I	94	Very high	95.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-81.1	-14.5	-176.7	66.7	169.7	0	0	0	113	R66 L69 F100 Y104 F105 L344	R66-I108 HydrophobicContact CG-CB 3.95Å; R66-I108 HydrophobicContact CG-CG2 3.73Å; R66-I108 VanDerWaalsContact CZ-O 3.26Å; R66-I108 PolarHBondContact NE-O 3.35Å; R66-I108 PolarHBondContact NH2-O 2.91Å; L69-I108 HydrophobicContact CD1-CD1 4Å; L69-I108 HydrophobicContact CD1-CG2 4.37Å; F100-I108 HydrophobicContact CD1-CD1 3.94Å; F100-I108 HydrophobicContact CE1-CD1 3.99Å; F100-I108 HydrophobicContact CG-CD1 4.23Å; F100-I108 HydrophobicContact CZ-CD1 4.32Å; Y104-I108 HydrophobicContact CD1-CD1 4.28Å; Y104-I108 HydrophobicContact CD1-CG2 4.41Å; Y104-I108 HydrophobicContact CD2-CG2 4.27Å; Y104-I108 HydrophobicContact CE1-CD1 4.03Å; Y104-I108 HydrophobicContact CE1-CG2 3.88Å; Y104-I108 HydrophobicContact CE2-CG2 3.69Å; Y104-I108 VanDerWaalsContact CZ-CG2 3.48Å; Y104-I108 PolarHBondContact O-N 2.89Å; F105-I108 HydrophobicContact CD2-CD1 4.35Å; F105-I108 HydrophobicContact CD2-CG1 4.38Å; F105-I108 PolarHBondContact O-N 2.82Å; I108-L344 HydrophobicContact CD1-CD2 4.34Å; I108-L344 HydrophobicContact CG1-CD2 4.42Å
109	S	94.3	Very high	95.1	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.042	24%	0.235	C	C	.	.			trans	-146.2	66.5	-177.9	-147.4	0	0	0	0	113.4	F105 K107 G111 F112 R115	F105-S109 WeakPolarHBondContact O-CA 3.44Å; F105-S109 WeakPolarHBondContact O-CB 3.14Å; F105-S109 PolarHBondContact O-N 2.9Å; K107-S109 VanDerWaalsContact C-N 3.33Å; S109-G111 PolarHBondContact O-N 2.87Å; S109-G111 VanDerWaalsContact O-N 3.08Å; S109-F112 WeakPolarHBondContact O-CB 3.14Å; S109-F112 VanDerWaalsContact O-CD1 3.3Å; S109-F112 WeakPolarHBondContact O-CD1 3.32Å; S109-F112 PolarHBondContact O-N 3.01Å; S109-R115 PolarHBondContact OG-NH1 3.44Å; S109-R115 PolarHBondContact OG-NH2 2.81Å
110	P	91.7	Very high	95	Very high	95 Å²	95	47.3 Å²	47.3	62%	0.617	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.6	-173.3	21.9	-33.6	0	0	0	114.1	R106 F112	R106-P110 WeakPolarHBondContact O-CA 3.05Å; P110-F112 VanDerWaalsContact C-N 3.32Å; P110-F112 PolarHBondContact O-N 2.95Å
111	G	92.5	Very high	95	Very high	30 Å²	30	50.5 Å²	50.5	31%	0.309	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	11.9	177.5	0	0	0	0	0	115.8	S109 R113 L114	S109-G111 PolarHBondContact O-N 2.87Å; S109-G111 VanDerWaalsContact O-N 3.08Å; G111-R113 VanDerWaalsContact C-N 3.26Å; G111-R113 PolarHBondContact O-N 3.27Å; G111-L114 WeakPolarHBondContact O-CB 3.3Å; G111-L114 PolarHBondContact O-N 2.87Å
112	F	94.7	Very high	95	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.4	-35.1	-172	74	-76.7	0	0	0	114.8	I102 F105 R106 S109 P110 L114 R115 G116 I117	I102-F112 HydrophobicContact CD1-CE2 4.18Å; I102-F112 HydrophobicContact CD1-CZ 4.06Å; F105-F112 HydrophobicContact CD1-CB 4.15Å; F105-F112 HydrophobicContact CD1-CD2 4.23Å; F105-F112 HydrophobicContact CD1-CG 4.11Å; F105-F112 HydrophobicContact CE1-CB 3.5Å; F105-F112 VanDerWaalsContact CE1-CB 3.5Å; F105-F112 HydrophobicContact CE1-CD2 4.02Å; F105-F112 AromaticContact CE1-CG 3.88Å; F105-F112 HydrophobicContact CE1-CG 3.88Å; F105-F112 HydrophobicContact CZ-CB 4.3Å; R106-F112 HydrophobicContact CG-CE1 3.8Å; R106-F112 HydrophobicContact CG-CZ 4.22Å; S109-F112 WeakPolarHBondContact O-CB 3.14Å; S109-F112 VanDerWaalsContact O-CD1 3.3Å; S109-F112 WeakPolarHBondContact O-CD1 3.32Å; S109-F112 PolarHBondContact O-N 3.01Å; P110-F112 VanDerWaalsContact C-N 3.32Å; P110-F112 PolarHBondContact O-N 2.95Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 2.8Å; F112-R115 PolarHBondContact O-N 3.1Å; F112-R115 VanDerWaalsContact O-N 3.12Å; F112-G116 PolarHBondContact O-N 3.1Å; F112-I117 HydrophobicContact CB-CB 4.34Å; F112-I117 HydrophobicContact CB-CD1 4.18Å; F112-I117 HydrophobicContact CD2-CB 3.78Å; F112-I117 HydrophobicContact CD2-CG2 3.74Å; F112-I117 WeakPolarHBondContact CD2-O 3.41Å; F112-I117 HydrophobicContact CE2-CG2 4.41Å; F112-I117 PolarHBondContact O-N 3.38Å
113	R	94.8	Very high	95	Very high	158 Å²	158	55.7 Å²	55.7	60%	0.596	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.8	-33.5	177.7	-70.1	-171.1	-72.4	-94.2	1.9	113	G111 R115 G116	G111-R113 VanDerWaalsContact C-N 3.26Å; G111-R113 PolarHBondContact O-N 3.27Å; R113-R115 PolarHBondContact O-N 3.36Å; R113-G116 WeakPolarHBondContact O-CA 3.3Å; R113-G116 PolarHBondContact O-N 3.01Å
114	L	93.6	Very high	95.1	Very high	151 Å²	151	56.4 Å²	56.4	79%	0.791	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66	-31	177.6	-61.6	174.8	0	0	0	111.4	G111 F112 G116 R208	G111-L114 WeakPolarHBondContact O-CB 3.3Å; G111-L114 PolarHBondContact O-N 2.87Å; F112-L114 VanDerWaalsContact C-N 3.28Å; F112-L114 PolarHBondContact O-N 2.8Å; L114-G116 PolarHBondContact O-N 2.95Å; L114-R208 PolarHBondContact O-NH2 2.91Å
115	R	90.1	Very high	95.2	Very high	98 Å²	98	56.5 Å²	56.5	37%	0.37	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-77.5	-7	173	-59.9	-167.3	-60	-79.5	-4	113.3	S109 F112 R113 T209 E340	S109-R115 PolarHBondContact OG-NH1 3.44Å; S109-R115 PolarHBondContact OG-NH2 2.81Å; F112-R115 PolarHBondContact O-N 3.1Å; F112-R115 VanDerWaalsContact O-N 3.12Å; R113-R115 PolarHBondContact O-N 3.36Å; R115-T209 WeakPolarHBondContact O-CG2 3.31Å; R115-E340 IonicContact CZ-OE1 3.22Å; R115-E340 VanDerWaalsContact CZ-OE1 3.22Å; R115-E340 IonicContact NE-OE1 2.87Å; R115-E340 PolarHBondContact NE-OE1 3.36Å; R115-E340 IonicContact NH2-OE1 2.75Å; R115-E340 PolarHBondContact NH2-OE1 3.03Å
116	G	93.6	Very high	95.3	Very high	9 Å²	9	59.5 Å²	59.5	9%	0.093	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	8.3	177.1	0	0	0	0	0	115.9	F112 R113 L114 K118	F112-G116 PolarHBondContact O-N 3.1Å; R113-G116 WeakPolarHBondContact O-CA 3.3Å; R113-G116 PolarHBondContact O-N 3.01Å; L114-G116 PolarHBondContact O-N 2.95Å; G116-K118 PolarHBondContact O-N 3.27Å
117	I	96.8	Very high	95.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-74.6	118.6	171.8	-57.4	165.3	0	0	0	107.2	F105 F112 Y120 T209 Y213 Y334 E340	F105-I117 HydrophobicContact CE1-CD1 3.84Å; F105-I117 HydrophobicContact CE1-CG2 4.17Å; F105-I117 HydrophobicContact CZ-CD1 3.74Å; F112-I117 HydrophobicContact CB-CB 4.34Å; F112-I117 HydrophobicContact CB-CD1 4.18Å; F112-I117 HydrophobicContact CD2-CB 3.78Å; F112-I117 HydrophobicContact CD2-CG2 3.74Å; F112-I117 WeakPolarHBondContact CD2-O 3.41Å; F112-I117 HydrophobicContact CE2-CG2 4.41Å; F112-I117 PolarHBondContact O-N 3.38Å; I117-Y120 HydrophobicContact CG2-CD1 4.43Å; I117-Y120 HydrophobicContact CG2-CE1 4.08Å; I117-T209 HydrophobicContact CB-CG2 4.4Å; I117-T209 HydrophobicContact CG1-CG2 3.49Å; I117-T209 VanDerWaalsContact CG1-CG2 3.49Å; I117-Y213 HydrophobicContact CG2-CE1 4.42Å; I117-Y334 HydrophobicContact CD1-CD1 4.22Å; I117-Y334 HydrophobicContact CD1-CE1 3.45Å; I117-Y334 VanDerWaalsContact CD1-CE1 3.45Å; I117-Y334 HydrophobicContact CG1-CE1 3.98Å; I117-Y334 HydrophobicContact CG1-CE2 4.25Å; I117-Y334 HydrophobicContact CG2-CD1 4.34Å; I117-Y334 HydrophobicContact CG2-CD2 4.11Å; I117-Y334 HydrophobicContact CG2-CE1 4.32Å; I117-Y334 HydrophobicContact CG2-CE2 4.08Å; I117-Y334 HydrophobicContact CG2-CG 4.24Å; I117-E340 VanDerWaalsContact CD1-OE1 3.27Å; I117-E340 WeakPolarHBondContact CD1-OE1 3.45Å
118	K	95.9	Very high	95.6	Very high	113 Å²	113	59.4 Å²	59.4	49%	0.491	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-71.7	161.9	176.8	-67.2	-178.8	-179.3	175.1	0	109.5	G116 Y120 Y213 D298	G116-K118 PolarHBondContact O-N 3.27Å; K118-Y120 VanDerWaalsContact O-CD1 3.3Å; K118-Y120 WeakPolarHBondContact O-CD1 3.49Å; K118-Y213 PolarHBondContact N-OH 2.8Å; K118-D298 IonicContact NZ-OD1 2.69Å; K118-D298 IonicContact NZ-OD2 3.03Å; K118-D298 PolarHBondContact NZ-OD2 3.37Å
119	S	95.6	Very high	95.8	Very high	54 Å²	54	62.6 Å²	62.6	38%	0.378	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-67.5	139.9	166.1	-161.8	0	0	0	0	109.2	R106	R106-S119 PolarHBondContact NH2-OG 3.42Å
120	Y	97.6	Very high	96	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	32%	0.323	C	S	.	.			trans	-128.6	55.9	-177.6	49.7	-86.9	0	0	0	110.4	F100 I102 F105 I117 K118 Y122 Y213 Y332 Y334	F100-Y120 WeakPolarHBondContact O-CE2 3.45Å; F100-Y120 PolarHBondContact O-OH 2.94Å; I102-Y120 HydrophobicContact CB-CD2 3.86Å; I102-Y120 HydrophobicContact CB-CE2 3.59Å; I102-Y120 HydrophobicContact CB-CG 4.44Å; I102-Y120 HydrophobicContact CD1-CD1 3.89Å; I102-Y120 HydrophobicContact CD1-CD2 4.46Å; I102-Y120 HydrophobicContact CD1-CE1 3.57Å; I102-Y120 HydrophobicContact CD1-CE2 4.18Å; I102-Y120 HydrophobicContact CD1-CG 4.32Å; I102-Y120 HydrophobicContact CG1-CE2 4.43Å; F105-Y120 WeakPolarHBondContact CB-OH 3.49Å; F105-Y120 HydrophobicContact CD1-CE1 4.2Å; F105-Y120 WeakPolarHBondContact CD1-OH 3.45Å; F105-Y120 WeakPolarHBondContact CG-OH 3.27Å; I117-Y120 HydrophobicContact CG2-CD1 4.43Å; I117-Y120 HydrophobicContact CG2-CE1 4.08Å; K118-Y120 VanDerWaalsContact O-CD1 3.3Å; K118-Y120 WeakPolarHBondContact O-CD1 3.49Å; Y120-Y122 PolarHBondContact O-N 2.85Å; Y120-Y213 HydrophobicContact CD1-CD1 4.1Å; Y120-Y213 AromaticContact CD1-CE1 3.7Å; Y120-Y213 HydrophobicContact CD1-CE1 3.7Å; Y120-Y213 HydrophobicContact CG-CD1 4.07Å; Y120-Y213 HydrophobicContact CG-CE1 4.1Å; Y120-Y332 WeakPolarHBondContact O-CB 3.43Å; Y120-Y334 HydrophobicContact CE1-CG 4.24Å; Y120-Y334 WeakPolarHBondContact OH-CB 3.37Å
121	E	97.8	Very high	96.3	Very high	68 Å²	68	64.4 Å²	64.4	32%	0.318	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.6	123.7	174.8	-67.1	-62.7	157.6	0	0	110.1	I102 R106 R123 K134	I102-E121 WeakPolarHBondContact CG1-OE1 3.3Å; I102-E121 WeakPolarHBondContact CG2-OE1 3.44Å; R106-E121 IonicContact CZ-OE1 3.72Å; R106-E121 IonicContact NH1-OE1 3.52Å; R106-E121 PolarHBondContact NH1-OE1 2.82Å; R106-E121 IonicContact NH2-OE1 3.74Å; R106-E121 PolarHBondContact NH2-OE1 2.79Å; E121-R123 PolarHBondContact O-N 3.43Å; E121-K134 IonicContact OE2-NZ 3.06Å; E121-K134 PolarHBondContact OE2-NZ 3.02Å
122	Y	98.3	Very high	96.6	Very high	5 Å²	5	63 Å²	63	2%	0.02	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71	117.4	170.9	-172.8	-83.6	0	0	0	109.6	Y120 L132 P133 K134 L215 Q217 L306 Y332	Y120-Y122 PolarHBondContact O-N 2.85Å; Y122-L132 WeakPolarHBondContact OH-CB 3.5Å; Y122-P133 WeakPolarHBondContact CE1-O 3.45Å; Y122-K134 HydrophobicContact CD1-CB 3.81Å; Y122-K134 HydrophobicContact CD1-CG 4.11Å; Y122-K134 HydrophobicContact CE1-CB 4.42Å; Y122-K134 WeakPolarHBondContact O-CD 3.25Å; Y122-L215 HydrophobicContact CD2-CD1 4.23Å; Y122-L215 HydrophobicContact CE2-CD1 3.63Å; Y122-Q217 PolarHBondContact OH-NE2 2.84Å; Y122-L306 HydrophobicContact CE2-CD1 4.1Å; Y122-Y332 AromaticContact CD2-CD1 3.9Å; Y122-Y332 HydrophobicContact CD2-CD1 3.9Å; Y122-Y332 HydrophobicContact CD2-CD2 4.12Å; Y122-Y332 AromaticContact CD2-CE1 3.99Å; Y122-Y332 HydrophobicContact CD2-CE1 3.99Å; Y122-Y332 HydrophobicContact CD2-CE2 4.2Å; Y122-Y332 AromaticContact CD2-CG 3.93Å; Y122-Y332 HydrophobicContact CD2-CG 3.93Å; Y122-Y332 HydrophobicContact CE2-CE1 4.35Å
123	R	97.2	Very high	96.8	Very high	106 Å²	106	64.1 Å²	64.1	40%	0.4	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-85.7	120.4	173.7	179.4	166.1	61.7	82.4	-5.7	110	E121 R125 D307 D312	E121-R123 PolarHBondContact O-N 3.43Å; R123-R125 PolarHBondContact O-NH1 2.7Å; R123-D307 IonicContact CZ-OD1 2.95Å; R123-D307 IonicContact NH1-OD1 3.48Å; R123-D307 IonicContact NH2-OD1 2.97Å; R123-D307 PolarHBondContact NH2-OD1 3.35Å; R123-D307 IonicContact NH2-OD2 3.25Å; R123-D307 PolarHBondContact NH2-OD2 3Å; R123-D307 VanDerWaalsContact NH2-OD2 3.11Å; R123-D312 IonicContact CZ-OD2 2.7Å; R123-D312 IonicContact NH1-OD2 3.83Å; R123-D312 PolarHBondContact NH1-OD2 3.05Å
124	E	98.2	Very high	96.9	Very high	95 Å²	95	60.4 Å²	60.4	44%	0.444	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.4	139.2	168.8	177.8	162.3	134.8	0	0	110.2	L132 P133 K134	E124-L132 WeakPolarHBondContact CA-O 3.33Å; E124-P133 WeakPolarHBondContact OE2-CA 3.33Å; E124-K134 HydrophobicContact CB-CB 4.44Å; E124-K134 PolarHBondContact OE2-N 2.83Å
125	R	98.3	Very high	97.1	Very high	3 Å²	3	56 Å²	56	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.7	179.9	-61.8	159.5	172.7	92.2	-7.3	110.1	R123 K131 L132 D303 D307 T310	R123-R125 PolarHBondContact O-NH1 2.7Å; R125-K131 CarbonylContact O-C 3.46Å; R125-K131 VanDerWaalsContact O-CA 3.3Å; R125-K131 WeakPolarHBondContact O-CA 3.32Å; R125-L132 HydrophobicContact CB-CB 4.16Å; R125-L132 HydrophobicContact CB-CD1 4.19Å; R125-L132 HydrophobicContact CB-CG 4.43Å; R125-L132 PolarHBondContact N-O 3.13Å; R125-L132 PolarHBondContact O-N 3.03Å; R125-D303 IonicContact CZ-OD1 3.65Å; R125-D303 IonicContact NH1-OD1 3.19Å; R125-D303 IonicContact NH2-OD1 3.75Å; R125-D303 PolarHBondContact NH2-OD1 2.86Å; R125-D307 IonicContact CZ-OD1 3.72Å; R125-D307 VanDerWaalsContact CZ-OD1 3.26Å; R125-D307 IonicContact NE-OD1 2.74Å; R125-D307 PolarHBondContact NE-OD1 2.89Å; R125-D307 IonicContact NH2-OD1 3.46Å; R125-D307 PolarHBondContact NH2-OD1 3Å; R125-T310 HydrophobicContact CB-CG2 3.77Å
126	S	98.1	Very high	97.4	Very high	63 Å²	63	52.3 Å²	52.3	44%	0.441	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.7	177	-68.4	0	0	0	0	109.2	K131	S126-K131 WeakPolarHBondContact OG-CG 3.43Å
127	G	97.2	Very high	97.6	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-177.2	175.7	0	0	0	0	0	112	F129 G130 T310 N318	G127-F129 PolarHBondContact O-N 2.85Å; G127-G130 PolarHBondContact N-O 3.4Å; G127-G130 PolarHBondContact O-N 3.2Å; G127-T310 WeakPolarHBondContact CA-O 3.16Å; G127-N318 WeakPolarHBondContact CA-OD1 3.44Å
128	K	97.8	Very high	97.7	Very high	165 Å²	165	53.7 Å²	53.7	72%	0.717	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36	-177.3	-179.1	179.8	176.5	-179.2	0	113.1	N318	K128-N318 PolarHBondContact N-OD1 2.82Å
129	F	98.1	Very high	97.8	Very high	68 Å²	68	48.3 Å²	48.3	30%	0.298	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.9	-172.6	-57	-59.8	0	0	0	114	G127 N318 Y320 M322 I323	G127-F129 PolarHBondContact O-N 2.85Å; F129-N318 HydrophobicContact CD2-CB 3.84Å; F129-N318 HydrophobicContact CE2-CB 3.87Å; F129-Y320 AromaticContact CE2-CD1 3.77Å; F129-Y320 HydrophobicContact CE2-CD1 3.77Å; F129-Y320 AromaticContact CE2-CE1 3.85Å; F129-Y320 HydrophobicContact CE2-CE1 3.85Å; F129-Y320 HydrophobicContact CZ-CD1 4.25Å; F129-Y320 HydrophobicContact CZ-CE1 4.03Å; F129-M322 HydrophobicContact CB-CB 3.79Å; F129-I323 HydrophobicContact CD1-CG1 4.01Å; F129-I323 HydrophobicContact CD2-CG1 4.11Å; F129-I323 HydrophobicContact CE1-CD1 4.44Å; F129-I323 HydrophobicContact CE1-CG1 3.92Å; F129-I323 HydrophobicContact CE2-CD1 4.39Å; F129-I323 HydrophobicContact CE2-CG1 4.03Å; F129-I323 HydrophobicContact CG-CG1 4.11Å; F129-I323 HydrophobicContact CZ-CD1 4.13Å; F129-I323 HydrophobicContact CZ-CG1 3.93Å
130	G	97.7	Very high	98	Very high	22 Å²	22	45.8 Å²	45.8	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-171.8	179.9	0	0	0	0	0	113.5	G127	G127-G130 PolarHBondContact N-O 3.4Å; G127-G130 PolarHBondContact O-N 3.2Å
131	K	98.4	Very high	98.1	Very high	117 Å²	117	45.7 Å²	45.7	51%	0.509	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	161	-177.7	-55.8	-170.6	175.5	-175.8	0	111.2	R125 S126 C327	R125-K131 CarbonylContact O-C 3.46Å; R125-K131 VanDerWaalsContact O-CA 3.3Å; R125-K131 WeakPolarHBondContact O-CA 3.32Å; S126-K131 WeakPolarHBondContact OG-CG 3.43Å; K131-C327 WeakPolarHBondContact O-CB 3.49Å
132	L	98.7	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	85.2	165.7	-59.1	178.5	0	0	0	106.8	Y122 E124 R125 W219 L306 T310 M322 C327	Y122-L132 WeakPolarHBondContact OH-CB 3.5Å; E124-L132 WeakPolarHBondContact CA-O 3.33Å; R125-L132 HydrophobicContact CB-CB 4.16Å; R125-L132 HydrophobicContact CB-CD1 4.19Å; R125-L132 HydrophobicContact CB-CG 4.43Å; R125-L132 PolarHBondContact N-O 3.13Å; R125-L132 PolarHBondContact O-N 3.03Å; L132-W219 HydrophobicContact CD2-CH2 3.51Å; L132-W219 HydrophobicContact CD2-CZ2 3.7Å; L132-L306 HydrophobicContact CD1-CB 3.88Å; L132-L306 HydrophobicContact CD1-CD1 4.5Å; L132-L306 HydrophobicContact CD1-CD2 3.87Å; L132-L306 HydrophobicContact CD1-CG 4.28Å; L132-T310 HydrophobicContact CD1-CG2 3.64Å; L132-T310 HydrophobicContact CG-CG2 3.75Å; L132-M322 HydrophobicContact CD2-CE 4.21Å; L132-C327 HydrophobicContact CD2-CB 3.76Å
133	P	98.6	Very high	98.1	Very high	25 Å²	25	42.3 Å²	42.3	16%	0.162	22%	0.221	C	C	.	.			trans	-73.8	146.4	-169	29.6	-35.4	0	0	0	112.6	Y122 E124 T135 G330	Y122-P133 WeakPolarHBondContact CE1-O 3.45Å; E124-P133 WeakPolarHBondContact OE2-CA 3.33Å; P133-T135 HydrophobicContact CB-CG2 4.44Å; P133-T135 HydrophobicContact CG-CG2 4.45Å; P133-T135 PolarHBondContact O-N 2.81Å; P133-G330 VanDerWaalsContact O-CA 3.31Å; P133-G330 WeakPolarHBondContact O-CA 3.32Å; P133-G330 PolarHBondContact O-N 3.18Å
134	K	98.2	Very high	98.1	Very high	80 Å²	80	37.3 Å²	37.3	35%	0.348	20%	0.202	S	C	.	.			trans	-84.2	108.7	167.6	-174.8	-177.5	-177.8	174.7	0	109.1	E121 Y122 E124	E121-K134 IonicContact OE2-NZ 3.06Å; E121-K134 PolarHBondContact OE2-NZ 3.02Å; Y122-K134 HydrophobicContact CD1-CB 3.81Å; Y122-K134 HydrophobicContact CD1-CG 4.11Å; Y122-K134 HydrophobicContact CE1-CB 4.42Å; Y122-K134 WeakPolarHBondContact O-CD 3.25Å; E124-K134 HydrophobicContact CB-CB 4.44Å; E124-K134 PolarHBondContact OE2-N 2.83Å
135	T	97.9	Very high	98.1	Very high	60 Å²	60	32.8 Å²	32.8	37%	0.368	18%	0.181	S	C	.	.			trans	-104.8	-10	178.4	55.2	0	0	0	0	114.2	P133 T329 G330	P133-T135 HydrophobicContact CB-CG2 4.44Å; P133-T135 HydrophobicContact CG-CG2 4.45Å; P133-T135 PolarHBondContact O-N 2.81Å; T135-T329 HydrophobicContact CG2-CG2 4.21Å; T135-T329 WeakPolarHBondContact OG1-CB 3.25Å; T135-G330 PolarHBondContact N-O 3.4Å; T135-G330 PolarHBondContact OG1-N 3.16Å; T135-G330 PolarHBondContact OG1-O 3.04Å
136	G	96	Very high	98	Very high	19 Å²	19	35 Å²	35	20%	0.196	19%	0.193	C	C	.	.			trans	69.4	-152.1	173.9	0	0	0	0	0	114.3	N331	G136-N331 PolarHBondContact O-ND2 3.39Å
137	G	98	Very high	97.8	Very high	12 Å²	12	35.3 Å²	35.3	12%	0.124	19%	0.19	C	C	.	.			trans	116	152.9	-171.9	0	0	0	0	0	112	H59 G101 W333	H59-G137 WeakPolarHBondContact ND1-CA 3.49Å; G101-G137 WeakPolarHBondContact CA-O 3.49Å; G137-W333 VanDerWaalsContact C-CH2 3.45Å
138	D	98.4	Very high	97.8	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.15	20%	0.196	C	C	.	.	S	Bend	trans	-109.2	-40.9	-165.8	-60.9	-74.6	0	0	0	112.9	I58 H59 L60 F100 G101 Y104	I58-D138 PolarHBondContact O-N 3.06Å; I58-D138 VanDerWaalsContact O-N 3.08Å; H59-D138 WeakPolarHBondContact CA-OD2 3.44Å; L60-D138 HydrophobicContact CB-CB 4.1Å; L60-D138 HydrophobicContact CD1-CB 3.88Å; L60-D138 HydrophobicContact CG-CB 3.8Å; L60-D138 PolarHBondContact N-OD2 3.04Å; F100-D138 WeakPolarHBondContact CA-O 3.23Å; G101-D138 PolarHBondContact N-O 3.37Å; Y104-D138 WeakPolarHBondContact CB-OD1 3.3Å; Y104-D138 HydrophobicContact CD1-CB 4.18Å; Y104-D138 HydrophobicContact CG-CB 3.95Å
139	I	98.7	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.4	175.6	-53.1	170.5	0	0	0	108.1	I58 L60 L69 I72 V98 F100 Y104	I58-I139 HydrophobicContact CB-CB 4.15Å; I58-I139 HydrophobicContact CD1-CB 4.31Å; I58-I139 HydrophobicContact CD1-CG2 4.29Å; I58-I139 HydrophobicContact CG1-CB 4.47Å; I58-I139 PolarHBondContact N-O 3.26Å; I58-I139 PolarHBondContact O-N 3.1Å; L60-I139 HydrophobicContact CD1-CD1 3.87Å; L60-I139 HydrophobicContact CD1-CG1 4.18Å; L60-I139 HydrophobicContact CD2-CD1 4.38Å; L60-I139 HydrophobicContact CG-CD1 4.41Å; L69-I139 HydrophobicContact CD2-CD1 3.85Å; I72-I139 HydrophobicContact CD1-CG2 4Å; I72-I139 HydrophobicContact CG1-CD1 4Å; I72-I139 HydrophobicContact CG1-CG2 4.22Å; V98-I139 HydrophobicContact CG1-CG2 3.65Å; F100-I139 HydrophobicContact CD1-CG1 4.08Å; F100-I139 HydrophobicContact CE1-CG1 4.13Å; F100-I139 HydrophobicContact CE1-CG2 4.36Å; Y104-I139 HydrophobicContact CD1-CG1 4.01Å; Y104-I139 HydrophobicContact CE1-CD1 3.95Å; Y104-I139 HydrophobicContact CE1-CG1 3.81Å
140	F	98.8	Very high	97.6	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.4	175.9	-173.7	-101	0	0	0	110.3	Y55 L56 T57 V98 G99 H142 V216 I293 W333 F335	Y55-F140 AromaticContact CD1-CZ 3.96Å; Y55-F140 HydrophobicContact CD1-CZ 3.96Å; Y55-F140 HydrophobicContact CG-CZ 4.4Å; L56-F140 CarbonylContact O-C 3.58Å; L56-F140 VanDerWaalsContact O-CA 3.32Å; L56-F140 WeakPolarHBondContact O-CA 3.4Å; T57-F140 WeakPolarHBondContact OG1-CD2 3.46Å; V98-F140 CarbonylContact C-O 3.54Å; V98-F140 VanDerWaalsContact CA-O 3.3Å; V98-F140 WeakPolarHBondContact CA-O 3.38Å; G99-F140 PolarHBondContact N-O 3.2Å; G99-F140 PolarHBondContact O-N 3.26Å; F140-H142 HydrophobicContact CD1-CB 4.47Å; F140-H142 HydrophobicContact CE1-CB 3.95Å; F140-V216 HydrophobicContact CD1-CG2 4.16Å; F140-V216 HydrophobicContact CE1-CG1 4.46Å; F140-V216 HydrophobicContact CE1-CG2 3.65Å; F140-V216 HydrophobicContact CE2-CG1 3.91Å; F140-V216 HydrophobicContact CE2-CG2 4.34Å; F140-V216 HydrophobicContact CZ-CB 4.32Å; F140-V216 HydrophobicContact CZ-CG1 3.69Å; F140-V216 HydrophobicContact CZ-CG2 3.74Å; F140-I293 HydrophobicContact CE1-CD1 3.89Å; F140-W333 HydrophobicContact CB-CD2 3.59Å; F140-W333 HydrophobicContact CB-CE3 3.39Å; F140-W333 HydrophobicContact CB-CG 4.37Å; F140-W333 HydrophobicContact CB-CH2 3.73Å; F140-W333 HydrophobicContact CB-CZ2 3.91Å; F140-W333 HydrophobicContact CB-CZ3 3.48Å; F140-W333 VanDerWaalsContact CB-CZ3 3.48Å; F140-W333 HydrophobicContact CD2-CH2 4.45Å; F140-W333 HydrophobicContact CD2-CZ2 4.05Å; F140-W333 HydrophobicContact CG-CD2 4.17Å; F140-W333 HydrophobicContact CG-CE3 4.42Å; F140-W333 HydrophobicContact CG-CH2 4.48Å; F140-W333 HydrophobicContact CG-CZ2 4.23Å; F140-F335 HydrophobicContact CD1-CE2 4.35Å; F140-F335 AromaticContact CD1-CZ 3.84Å; F140-F335 HydrophobicContact CD1-CZ 3.84Å; F140-F335 HydrophobicContact CE1-CZ 4.37Å
141	V	98.9	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.9	175.1	-176.2	0	0	0	0	108.1	L56 I72 I75 V98 I158	L56-V141 HydrophobicContact CB-CB 4.2Å; L56-V141 HydrophobicContact CD2-CG2 4.48Å; L56-V141 PolarHBondContact N-O 2.82Å; L56-V141 PolarHBondContact O-N 3.25Å; I72-V141 HydrophobicContact CD1-CG2 4.47Å; I75-V141 HydrophobicContact CD1-CG1 3.84Å; V98-V141 HydrophobicContact CG1-CG2 4.44Å; V98-V141 HydrophobicContact CG2-CG2 4.23Å; V141-I158 HydrophobicContact CG1-CD1 4.23Å; V141-I158 HydrophobicContact CG2-CD1 4.33Å
142	H	98.9	Very high	97.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.7	168.6	179.7	-156.3	0	0	0	108.3	S44 L54 Y55 Y96 G97 F140 K144 Q277 I293 Y295 F335	S44-H142 WeakPolarHBondContact CB-O 3.35Å; S44-H142 PolarHBondContact OG-O 2.88Å; L54-H142 WeakPolarHBondContact O-CA 3.43Å; Y55-H142 AromaticContact CD1-CD2 3.64Å; Y55-H142 AromaticContact CE1-CD2 3.45Å; Y55-H142 VanDerWaalsContact CE1-CD2 3.45Å; Y55-H142 WeakPolarHBondContact CE1-CD2 3.4Å; Y55-H142 AromaticContact CE1-NE2 3.46Å; Y55-H142 WeakPolarHBondContact CE1-NE2 3.37Å; Y96-H142 CarbonylContact C-O 3.44Å; Y96-H142 VanDerWaalsContact CA-O 3.26Å; Y96-H142 WeakPolarHBondContact CA-O 3.08Å; G97-H142 PolarHBondContact N-O 2.88Å; G97-H142 PolarHBondContact O-N 2.76Å; F140-H142 HydrophobicContact CD1-CB 4.47Å; F140-H142 HydrophobicContact CE1-CB 3.95Å; H142-K144 WeakPolarHBondContact CE1-CE 3.45Å; H142-Q277 PolarHBondContact CE1-OE1 3.22Å; H142-Q277 VanDerWaalsContact CE1-OE1 3.31Å; H142-I293 HydrophobicContact CB-CD1 4.24Å; H142-Y295 AromaticContact ND1-CE2 3.88Å; H142-Y295 AromaticContact ND1-CZ 3.79Å; H142-Y295 PolarHBondContact ND1-OH 2.99Å; H142-F335 HydrophobicContact CB-CE1 4.32Å; H142-F335 HydrophobicContact CB-CZ 4.27Å
143	A	98.7	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.3	175.9	0	0	0	0	0	110.7	A53 L54 I94 L95 L151 L154	A53-A143 CarbonylContact C-O 3.54Å; A53-A143 WeakPolarHBondContact CA-O 3.23Å; A53-A143 WeakPolarHBondContact CB-O 2.99Å; L54-A143 HydrophobicContact CB-CB 4.28Å; L54-A143 PolarHBondContact N-O 3.01Å; L54-A143 PolarHBondContact O-N 2.71Å; I94-A143 HydrophobicContact CG2-CB 4.08Å; L95-A143 CarbonylContact O-C 3.59Å; L95-A143 VanDerWaalsContact O-CA 3.29Å; L95-A143 WeakPolarHBondContact O-CA 3.35Å; A143-L151 HydrophobicContact CB-CD2 3.81Å; A143-L154 HydrophobicContact CB-CD2 3.7Å
144	K	97.7	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138	-177.3	-53.6	172.2	-173.4	168.3	0	109.3	S44 S47 D48 K50 H52 A53 I94 L95 H142	S44-K144 PolarHBondContact O-NZ 3.31Å; S47-K144 PolarHBondContact O-NZ 2.99Å; S47-K144 PolarHBondContact OG-NZ 3.31Å; D48-K144 WeakPolarHBondContact O-CD 3.49Å; D48-K144 PolarHBondContact O-NZ 2.79Å; K50-K144 HydrophobicContact CB-CB 4.15Å; K50-K144 HydrophobicContact CD-CB 4.31Å; K50-K144 HydrophobicContact CG-CB 4.31Å; H52-K144 WeakPolarHBondContact O-CA 3.37Å; A53-K144 HydrophobicContact CB-CG 4.42Å; I94-K144 WeakPolarHBondContact CA-O 3.11Å; L95-K144 PolarHBondContact N-O 2.91Å; L95-K144 PolarHBondContact O-N 3.5Å; H142-K144 WeakPolarHBondContact CE1-CE 3.45Å
145	C	96.8	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.3	177	-168.2	0	0	0	0	109.4	H52 D92 I94 D147 L151	H52-C145 WeakPolarHBondContact CA-O 3.38Å; H52-C145 WeakPolarHBondContact CB-O 3.49Å; H52-C145 PolarHBondContact N-O 2.8Å; H52-C145 PolarHBondContact O-N 3.42Å; H52-C145 VanDerWaalsContact O-O 3.05Å; D92-C145 PolarHBondContact O-SG 2.99Å; I94-C145 HydrophobicContact CG1-CB 4.27Å; C145-D147 VanDerWaalsContact C-N 3.27Å; C145-D147 PolarHBondContact SG-N 2.96Å; C145-L151 HydrophobicContact CB-CD1 4.01Å; C145-L151 HydrophobicContact CB-CD2 3.77Å; C145-L151 HydrophobicContact CB-CG 3.63Å
146	N	96.1	Very high	97.7	Very high	49 Å²	49	28.2 Å²	28.2	26%	0.262	15%	0.153	S	C	.	.	S	Bend	trans	-80.6	-13.4	169.5	-75.3	-12.8	0	0	0	112.5	K50 S51 H52 Y91	K50-N146 WeakPolarHBondContact CB-OD1 3.42Å; S51-N146 PolarHBondContact N-OD1 3.32Å; S51-N146 PolarHBondContact OG-OD1 3.29Å; H52-N146 PolarHBondContact CD2-O 2.88Å; H52-N146 VanDerWaalsContact CD2-O 3.31Å; Y91-N146 VanDerWaalsContact O-CG 3.27Å; Y91-N146 PolarHBondContact O-ND2 3.46Å
147	D	94.9	Very high	97.9	Very high	71 Å²	71	28.5 Å²	28.5	38%	0.38	15%	0.152	S	C	.	.			trans	-109	118.5	176	-172	-59.8	0	0	0	110.5	C145 G149 M150	C145-D147 VanDerWaalsContact C-N 3.27Å; C145-D147 PolarHBondContact SG-N 2.96Å; D147-G149 VanDerWaalsContact OD1-CA 3.22Å; D147-G149 WeakPolarHBondContact OD1-CA 3.36Å; D147-G149 PolarHBondContact OD1-N 3.03Å; D147-M150 HydrophobicContact CB-CB 4.17Å; D147-M150 HydrophobicContact CB-CG 3.89Å; D147-M150 HydrophobicContact CB-SD 4.22Å; D147-M150 PolarHBondContact OD1-N 2.82Å
148	H	96.4	Very high	97.9	Very high	77 Å²	77	27.9 Å²	27.9	36%	0.356	15%	0.146	S	C	.	.	H	α-helix	trans	-66.3	-36.2	178.2	179	-92.6	0	0	0	112.8	M150 L151 F152 Y174	H148-M150 VanDerWaalsContact C-N 3.34Å; H148-M150 PolarHBondContact O-N 3.4Å; H148-L151 PolarHBondContact O-N 3.3Å; H148-F152 PolarHBondContact O-N 3.07Å; H148-Y174 AromaticContact CD2-CD1 3.99Å; H148-Y174 WeakPolarHBondContact NE2-CB 3.15Å; H148-Y174 AromaticContact NE2-CD1 3.47Å; H148-Y174 WeakPolarHBondContact NE2-CD1 3.37Å; H148-Y174 AromaticContact NE2-CG 3.39Å
149	G	96.6	Very high	97.9	Very high	33 Å²	33	29 Å²	29	34%	0.34	15%	0.151	S	C	.	.	H	α-helix	trans	-62.6	-39.9	178.2	0	0	0	0	0	112.1	D147 L151 F152 D153	D147-G149 VanDerWaalsContact OD1-CA 3.22Å; D147-G149 WeakPolarHBondContact OD1-CA 3.36Å; D147-G149 PolarHBondContact OD1-N 3.03Å; G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 2.87Å; G149-F152 WeakPolarHBondContact O-CB 3.35Å; G149-F152 PolarHBondContact O-N 2.92Å; G149-F152 VanDerWaalsContact O-N 3.15Å; G149-D153 PolarHBondContact O-N 2.83Å
150	M	96.3	Very high	97.8	Very high	34 Å²	34	35.5 Å²	35.5	17%	0.167	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-37	175.4	-71.8	-165.8	179.3	0	0	113	I82 C83 I94 D147 H148 L154	I82-M150 HydrophobicContact CG2-CB 3.85Å; I82-M150 HydrophobicContact CG2-CG 3.76Å; I82-M150 HydrophobicContact CG2-SD 4.38Å; C83-M150 HydrophobicContact CB-SD 4.01Å; I94-M150 HydrophobicContact CD1-CB 4.05Å; I94-M150 HydrophobicContact CG1-CB 4.29Å; D147-M150 HydrophobicContact CB-CB 4.17Å; D147-M150 HydrophobicContact CB-CG 3.89Å; D147-M150 HydrophobicContact CB-SD 4.22Å; D147-M150 PolarHBondContact OD1-N 2.82Å; H148-M150 VanDerWaalsContact C-N 3.34Å; H148-M150 PolarHBondContact O-N 3.4Å; M150-L154 WeakPolarHBondContact O-CB 3.28Å; M150-L154 PolarHBondContact O-N 3.31Å
151	L	98.4	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-39.4	174.3	-68.2	173.5	0	0	0	111.8	H52 L54 I94 A143 C145 H148 G149 L154 A155 Y174	H52-L151 HydrophobicContact CB-CD1 3.55Å; L54-L151 HydrophobicContact CB-CB 4.15Å; L54-L151 HydrophobicContact CB-CD2 4.08Å; L54-L151 HydrophobicContact CB-CG 4.48Å; I94-L151 HydrophobicContact CG2-CD2 4.21Å; A143-L151 HydrophobicContact CB-CD2 3.81Å; C145-L151 HydrophobicContact CB-CD1 4.01Å; C145-L151 HydrophobicContact CB-CD2 3.77Å; C145-L151 HydrophobicContact CB-CG 3.63Å; H148-L151 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 2.87Å; L151-L154 WeakPolarHBondContact O-CB 3.44Å; L151-L154 PolarHBondContact O-N 2.75Å; L151-A155 PolarHBondContact O-N 3.09Å; L151-Y174 HydrophobicContact CB-CD1 4.49Å; L151-Y174 HydrophobicContact CB-CE1 4.39Å
152	F	98.6	Very high	97.6	Very high	103 Å²	103	39.3 Å²	39.3	45%	0.452	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-44.5	174.4	-174.3	-90.2	0	0	0	111.6	H148 G149 L154 A155 K156 Y174	H148-F152 PolarHBondContact O-N 3.07Å; G149-F152 WeakPolarHBondContact O-CB 3.35Å; G149-F152 PolarHBondContact O-N 2.92Å; G149-F152 VanDerWaalsContact O-N 3.15Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 2.98Å; F152-A155 PolarHBondContact O-N 2.92Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 PolarHBondContact O-N 3.07Å; F152-Y174 HydrophobicContact CB-CE1 4.35Å; F152-Y174 HydrophobicContact CD2-CE1 4.49Å; F152-Y174 HydrophobicContact CD2-CE2 4.48Å; F152-Y174 AromaticContact CD2-CZ 3.93Å
153	D	98.3	Very high	97.3	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-33.3	176.2	-79.3	-27.6	0	0	0	112.4	I82 G149 S157	I82-D153 VanDerWaalsContact CD1-C 3.49Å; I82-D153 HydrophobicContact CD1-CB 3.83Å; I82-D153 HydrophobicContact CG1-CB 3.92Å; I82-D153 HydrophobicContact CG2-CB 4.28Å; G149-D153 PolarHBondContact O-N 2.83Å; D153-S157 WeakPolarHBondContact O-CB 3.21Å; D153-S157 PolarHBondContact O-N 2.83Å; D153-S157 PolarHBondContact O-OG 2.99Å
154	L	98.6	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-50.1	173.3	179.1	61.8	0	0	0	110.9	L54 I75 V79 I82 I94 A143 M150 L151 F152 K156 S157 I158	L54-L154 HydrophobicContact CD2-CD2 4.49Å; I75-L154 HydrophobicContact CG1-CD1 3.97Å; V79-L154 HydrophobicContact CG2-CD1 3.88Å; V79-L154 HydrophobicContact CG2-CD2 4.33Å; I82-L154 VanDerWaalsContact CD1-CA 3.5Å; I82-L154 HydrophobicContact CD1-CB 3.93Å; I82-L154 HydrophobicContact CD1-CD1 4.44Å; I82-L154 VanDerWaalsContact CD1-N 3.31Å; I94-L154 HydrophobicContact CG2-CD2 3.84Å; A143-L154 HydrophobicContact CB-CD2 3.7Å; M150-L154 WeakPolarHBondContact O-CB 3.28Å; M150-L154 PolarHBondContact O-N 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.44Å; L151-L154 PolarHBondContact O-N 2.75Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 2.98Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 2.83Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-I158 HydrophobicContact CD1-CD1 3.98Å; L154-I158 HydrophobicContact CD1-CG1 4.29Å; L154-I158 HydrophobicContact CG-CD1 3.91Å; L154-I158 WeakPolarHBondContact O-CG1 3.45Å; L154-I158 PolarHBondContact O-N 2.95Å
155	A	98.8	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-48.4	176.9	0	0	0	0	0	110.8	L54 L151 F152 S157 I158 I159 Y174	L54-A155 HydrophobicContact CD1-CB 3.96Å; L54-A155 HydrophobicContact CD2-CB 3.79Å; L151-A155 PolarHBondContact O-N 3.09Å; F152-A155 PolarHBondContact O-N 2.92Å; A155-S157 PolarHBondContact O-N 2.85Å; A155-I158 PolarHBondContact O-N 3.49Å; A155-I159 WeakPolarHBondContact O-CB 3.46Å; A155-I159 VanDerWaalsContact O-CG1 3.25Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 2.89Å; A155-Y174 WeakPolarHBondContact CB-OH 3.33Å
156	K	98.7	Very high	96.5	Very high	94 Å²	94	50.1 Å²	50.1	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-48.9	175.6	178.9	-176.7	176	-174.2	0	111.9	F152 L154 I158 I159 Q160	F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 PolarHBondContact O-N 3.07Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 2.83Å; K156-I158 PolarHBondContact O-N 2.98Å; K156-I159 PolarHBondContact O-N 2.81Å; K156-Q160 HydrophobicContact CG-CG 4.25Å; K156-Q160 VanDerWaalsContact O-CB 3.3Å; K156-Q160 WeakPolarHBondContact O-CB 3.41Å; K156-Q160 VanDerWaalsContact O-CG 3.3Å; K156-Q160 WeakPolarHBondContact O-CG 3.34Å; K156-Q160 PolarHBondContact O-N 3.2Å
157	S	98.7	Very high	96.5	Very high	25 Å²	25	49.4 Å²	49.4	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-42.3	-179.7	-63.2	0	0	0	0	112.1	D153 L154 A155 N161	D153-S157 WeakPolarHBondContact O-CB 3.21Å; D153-S157 PolarHBondContact O-N 2.83Å; D153-S157 PolarHBondContact O-OG 2.99Å; L154-S157 PolarHBondContact O-N 3.44Å; A155-S157 PolarHBondContact O-N 2.85Å; S157-N161 WeakPolarHBondContact O-CB 3.39Å; S157-N161 PolarHBondContact O-N 3.39Å; S157-N161 PolarHBondContact O-ND2 3.3Å
158	I	98.6	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-53.6	176.5	-66.3	165.4	0	0	0	110.1	L56 I58 S71 I72 I75 Y78 V141 L154 A155 K156 N161 M162	L56-I158 HydrophobicContact CD2-CB 4.22Å; L56-I158 HydrophobicContact CD2-CD1 4.2Å; L56-I158 HydrophobicContact CD2-CG2 3.87Å; I58-I158 HydrophobicContact CD1-CG2 4.1Å; S71-I158 PolarHBondContact OG-O 2.91Å; I72-I158 HydrophobicContact CD1-CG2 4.08Å; I75-I158 HydrophobicContact CD1-CD1 3.7Å; I75-I158 HydrophobicContact CD1-CG1 4.44Å; I75-I158 HydrophobicContact CG1-CD1 4.07Å; I75-I158 HydrophobicContact CG1-CG1 4.38Å; Y78-I158 HydrophobicContact CD2-CG1 4Å; Y78-I158 HydrophobicContact CE2-CG1 4.27Å; V141-I158 HydrophobicContact CG1-CD1 4.23Å; V141-I158 HydrophobicContact CG2-CD1 4.33Å; L154-I158 HydrophobicContact CD1-CD1 3.98Å; L154-I158 HydrophobicContact CD1-CG1 4.29Å; L154-I158 HydrophobicContact CG-CD1 3.91Å; L154-I158 WeakPolarHBondContact O-CG1 3.45Å; L154-I158 PolarHBondContact O-N 2.95Å; A155-I158 PolarHBondContact O-N 3.49Å; K156-I158 PolarHBondContact O-N 2.98Å; I158-N161 PolarHBondContact O-N 3.04Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.35Å
159	I	98.1	Very high	96.7	Very high	50 Å²	50	52.3 Å²	52.3	26%	0.256	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-51	-175.4	-71.2	169.8	0	0	0	111	L56 A155 K156 N161 M162 F170	L56-I159 HydrophobicContact CD1-CD1 4.15Å; L56-I159 HydrophobicContact CD1-CG1 4.4Å; L56-I159 HydrophobicContact CD2-CG1 4.49Å; A155-I159 WeakPolarHBondContact O-CB 3.46Å; A155-I159 VanDerWaalsContact O-CG1 3.25Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 2.89Å; K156-I159 PolarHBondContact O-N 2.81Å; I159-N161 PolarHBondContact O-N 2.89Å; I159-M162 PolarHBondContact O-N 2.91Å; I159-F170 HydrophobicContact CB-CE1 4.44Å; I159-F170 HydrophobicContact CB-CE2 4.46Å; I159-F170 HydrophobicContact CB-CZ 4.23Å; I159-F170 HydrophobicContact CD1-CB 4.48Å; I159-F170 HydrophobicContact CD1-CD1 4.44Å; I159-F170 HydrophobicContact CD1-CG 4.33Å; I159-F170 HydrophobicContact CG1-CD1 3.84Å; I159-F170 HydrophobicContact CG1-CD2 4.38Å; I159-F170 HydrophobicContact CG1-CE1 3.84Å; I159-F170 HydrophobicContact CG1-CE2 4.39Å; I159-F170 HydrophobicContact CG1-CG 4.09Å; I159-F170 HydrophobicContact CG1-CZ 4.1Å; I159-F170 HydrophobicContact CG2-CD2 4.07Å; I159-F170 HydrophobicContact CG2-CE2 3.73Å; I159-F170 HydrophobicContact CG2-CZ 3.97Å
160	Q	97.4	Very high	96.7	Very high	138 Å²	138	53.6 Å²	53.6	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-67.4	-20.5	-175.9	-70.5	-175.5	-27.1	0	0	113.6	K156	K156-Q160 HydrophobicContact CG-CG 4.25Å; K156-Q160 VanDerWaalsContact O-CB 3.3Å; K156-Q160 WeakPolarHBondContact O-CB 3.41Å; K156-Q160 VanDerWaalsContact O-CG 3.3Å; K156-Q160 WeakPolarHBondContact O-CG 3.34Å; K156-Q160 PolarHBondContact O-N 3.2Å
161	N	96.9	Very high	96.8	Very high	62 Å²	62	54.4 Å²	54.4	33%	0.332	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	6.2	179.6	-72	-94.1	0	0	0	113.3	S71 R74 Y78 S157 I158 I159	S71-N161 WeakPolarHBondContact CB-O 3.33Å; S71-N161 WeakPolarHBondContact OG-CB 3.37Å; R74-N161 PolarHBondContact NH1-OD1 3.15Å; Y78-N161 WeakPolarHBondContact OH-CB 3.42Å; S157-N161 WeakPolarHBondContact O-CB 3.39Å; S157-N161 PolarHBondContact O-N 3.39Å; S157-N161 PolarHBondContact O-ND2 3.3Å; I158-N161 PolarHBondContact O-N 3.04Å; I159-N161 PolarHBondContact O-N 2.89Å
162	M	96	Very high	96.8	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.089	31%	0.312	C	S	.	.	S	Bend	trans	-62.4	136.6	169.7	-74.5	-59.6	-70.6	0	0	109.9	I58 L60 C68 S71 I158 I159 V167 F170	I58-M162 HydrophobicContact CD1-SD 4.48Å; I58-M162 HydrophobicContact CG2-CE 4.23Å; L60-M162 HydrophobicContact CD2-CE 3.78Å; C68-M162 WeakPolarHBondContact O-CE 3.49Å; S71-M162 WeakPolarHBondContact CB-SD 3.35Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.35Å; I159-M162 PolarHBondContact O-N 2.91Å; M162-V167 HydrophobicContact CB-CG2 3.94Å; M162-V167 HydrophobicContact CE-CG2 3.55Å; M162-V167 HydrophobicContact CG-CG2 4.03Å; M162-F170 HydrophobicContact CB-CZ 4.17Å; M162-F170 HydrophobicContact CG-CE1 3.95Å; M162-F170 HydrophobicContact CG-CZ 3.72Å
163	P	94.1	Very high	96.8	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.123	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-58.6	140	178.5	-23.3	33.4	0	0	0	111.6	E67 R70 G165 C166	E67-P163 WeakPolarHBondContact O-CG 3.47Å; R70-P163 HydrophobicContact CB-CG 4.07Å; P163-G165 PolarHBondContact O-N 3.28Å; P163-C166 WeakPolarHBondContact O-CB 3.4Å; P163-C166 PolarHBondContact O-N 2.92Å
164	P	90.2	Very high	96.9	Very high	134 Å²	134	52.5 Å²	52.5	87%	0.87	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137.2	178.4	-26.2	34.4	0	0	0	112.2	C166	P164-C166 VanDerWaalsContact C-N 3.26Å; P164-C166 PolarHBondContact O-N 3.42Å
165	G	90.3	Very high	96.9	Very high	70 Å²	70	52.5 Å²	52.5	72%	0.722	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-1.2	177.9	0	0	0	0	0	115.8	P163	P163-G165 PolarHBondContact O-N 3.28Å
166	C	94	Very high	96.8	Very high	6 Å²	6	56 Å²	56	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	-79.6	-24.9	178	-87.6	0	0	0	0	114.5	L60 N61 C68 P163 P164	L60-C166 CarbonylContact C-O 3.5Å; L60-C166 VanDerWaalsContact CA-O 3.23Å; L60-C166 WeakPolarHBondContact CA-O 3.38Å; L60-C166 WeakPolarHBondContact CB-O 3.4Å; L60-C166 WeakPolarHBondContact CD2-O 3.26Å; N61-C166 PolarHBondContact N-O 2.93Å; C68-C166 WeakPolarHBondContact CA-SG 3.47Å; C68-C166 HydrophobicContact CB-CB 3.69Å; C68-C166 WeakPolarHBondContact CB-SG 3.45Å; C68-C166 WeakPolarHBondContact SG-CB 3.34Å; C68-C166 CovalentContact SG-SG 2.04Å; C68-C166 PolarHBondContact SG-SG 2.87Å; P163-C166 WeakPolarHBondContact O-CB 3.4Å; P163-C166 PolarHBondContact O-N 2.92Å; P164-C166 VanDerWaalsContact C-N 3.26Å; P164-C166 PolarHBondContact O-N 3.42Å
167	V	96.9	Very high	96.8	Very high	35 Å²	35	54.8 Å²	54.8	21%	0.212	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.8	-165.3	-174.9	0	0	0	0	110.5	I58 H59 L60 M162 F170	I58-V167 HydrophobicContact CG2-CG1 3.98Å; I58-V167 HydrophobicContact CG2-CG2 4.05Å; H59-V167 WeakPolarHBondContact O-CG1 2.95Å; L60-V167 HydrophobicContact CD2-CG2 4.03Å; M162-V167 HydrophobicContact CB-CG2 3.94Å; M162-V167 HydrophobicContact CE-CG2 3.55Å; M162-V167 HydrophobicContact CG-CG2 4.03Å; V167-F170 HydrophobicContact CB-CE2 4.11Å; V167-F170 HydrophobicContact CB-CZ 3.95Å; V167-F170 HydrophobicContact CG1-CD1 4.11Å; V167-F170 HydrophobicContact CG1-CD2 3.91Å; V167-F170 HydrophobicContact CG1-CE1 3.82Å; V167-F170 HydrophobicContact CG1-CE2 3.58Å; V167-F170 HydrophobicContact CG1-CG 4.18Å; V167-F170 HydrophobicContact CG1-CZ 3.57Å; V167-F170 HydrophobicContact CG2-CE1 4.12Å; V167-F170 HydrophobicContact CG2-CE2 4.33Å; V167-F170 HydrophobicContact CG2-CZ 3.68Å
168	D	97.4	Very high	96.7	Very high	104 Å²	104	57.5 Å²	57.5	56%	0.556	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	-39.1	172.8	-70.9	-12.4	0	0	0	110.9	H59 N61	H59-D168 PolarHBondContact O-N 3.31Å; N61-D168 WeakPolarHBondContact CA-OD1 3.45Å; N61-D168 WeakPolarHBondContact CA-OD2 3.29Å; N61-D168 WeakPolarHBondContact CB-OD1 3.28Å; N61-D168 PolarHBondContact ND2-OD1 3.47Å
169	K	97.5	Very high	96.5	Very high	105 Å²	105	63.5 Å²	63.5	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.4	-179.2	-177.8	-175.3	175.4	-151.4	0	112.4	H59 E171	H59-K169 HydrophobicContact CB-CB 4.17Å; H59-K169 PolarHBondContact N-O 2.95Å; H59-K169 PolarHBondContact O-N 2.66Å; K169-E171 HydrophobicContact CD-CG 4.24Å; K169-E171 VanDerWaalsContact CE-CG 3.45Å; K169-E171 HydrophobicContact CG-CG 4.43Å; K169-E171 IonicContact NZ-OE1 3.34Å; K169-E171 PolarHBondContact NZ-OE1 3.11Å; K169-E171 IonicContact NZ-OE2 3.77Å; K169-E171 PolarHBondContact NZ-OE2 2.85Å
170	F	98.2	Very high	96.3	Very high	60 Å²	60	65.4 Å²	65.4	26%	0.263	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.5	164	-62.5	-78.1	0	0	0	110.7	L56 I58 I159 M162 V167	L56-F170 HydrophobicContact CD1-CB 4.48Å; L56-F170 HydrophobicContact CD1-CD1 4.26Å; I58-F170 HydrophobicContact CB-CD1 4.27Å; I58-F170 HydrophobicContact CB-CE1 4.36Å; I58-F170 HydrophobicContact CD1-CE1 4.24Å; I58-F170 HydrophobicContact CG1-CD1 3.94Å; I58-F170 HydrophobicContact CG1-CE1 4.04Å; I58-F170 HydrophobicContact CG2-CD1 3.91Å; I58-F170 HydrophobicContact CG2-CE1 3.64Å; I159-F170 HydrophobicContact CB-CE1 4.44Å; I159-F170 HydrophobicContact CB-CE2 4.46Å; I159-F170 HydrophobicContact CB-CZ 4.23Å; I159-F170 HydrophobicContact CD1-CB 4.48Å; I159-F170 HydrophobicContact CD1-CD1 4.44Å; I159-F170 HydrophobicContact CD1-CG 4.33Å; I159-F170 HydrophobicContact CG1-CD1 3.84Å; I159-F170 HydrophobicContact CG1-CD2 4.38Å; I159-F170 HydrophobicContact CG1-CE1 3.84Å; I159-F170 HydrophobicContact CG1-CE2 4.39Å; I159-F170 HydrophobicContact CG1-CG 4.09Å; I159-F170 HydrophobicContact CG1-CZ 4.1Å; I159-F170 HydrophobicContact CG2-CD2 4.07Å; I159-F170 HydrophobicContact CG2-CE2 3.73Å; I159-F170 HydrophobicContact CG2-CZ 3.97Å; M162-F170 HydrophobicContact CB-CZ 4.17Å; M162-F170 HydrophobicContact CG-CE1 3.95Å; M162-F170 HydrophobicContact CG-CZ 3.72Å; V167-F170 HydrophobicContact CB-CE2 4.11Å; V167-F170 HydrophobicContact CB-CZ 3.95Å; V167-F170 HydrophobicContact CG1-CD1 4.11Å; V167-F170 HydrophobicContact CG1-CD2 3.91Å; V167-F170 HydrophobicContact CG1-CE1 3.82Å; V167-F170 HydrophobicContact CG1-CE2 3.58Å; V167-F170 HydrophobicContact CG1-CG 4.18Å; V167-F170 HydrophobicContact CG1-CZ 3.57Å; V167-F170 HydrophobicContact CG2-CE1 4.12Å; V167-F170 HydrophobicContact CG2-CE2 4.33Å; V167-F170 HydrophobicContact CG2-CZ 3.68Å
171	E	98.4	Very high	96.1	Very high	51 Å²	51	63.1 Å²	63.1	24%	0.238	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	105.4	166.5	-59.8	179.6	-122.4	0	0	108.5	L56 T57 H59 K169	L56-E171 CarbonylContact C-O 3.54Å; L56-E171 WeakPolarHBondContact CA-O 3.36Å; T57-E171 PolarHBondContact N-O 2.8Å; T57-E171 PolarHBondContact O-N 3.24Å; H59-E171 IonicContact CD2-OE1 3.69Å; H59-E171 IonicContact CE1-OE1 2.72Å; H59-E171 IonicContact NE2-OE1 2.92Å; H59-E171 PolarHBondContact NE2-OE1 2.71Å; K169-E171 HydrophobicContact CD-CG 4.24Å; K169-E171 VanDerWaalsContact CE-CG 3.45Å; K169-E171 HydrophobicContact CG-CG 4.43Å; K169-E171 IonicContact NZ-OE1 3.34Å; K169-E171 PolarHBondContact NZ-OE1 3.11Å; K169-E171 IonicContact NZ-OE2 3.77Å; K169-E171 PolarHBondContact NZ-OE2 2.85Å
172	D	98.1	Very high	96.2	Very high	66 Å²	66	61.5 Å²	61.5	35%	0.353	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.2	170.7	56.9	-42.2	0	0	0	110.5	L54 L56 Y174	L54-D172 HydrophobicContact CD1-CB 4.09Å; L56-D172 HydrophobicContact CD1-CB 3.99Å; D172-Y174 HydrophobicContact CB-CE2 4.16Å; D172-Y174 WeakPolarHBondContact OD2-CE2 3.42Å; D172-Y174 PolarHBondContact OD2-OH 3.13Å
173	I	98.7	Very high	96.2	Very high	26 Å²	26	61.2 Å²	61.2	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.8	173.7	-63	173.5	0	0	0	107.4	Y55 K218 Y281 L291	Y55-I173 WeakPolarHBondContact CD2-O 3.46Å; Y55-I173 PolarHBondContact N-O 2.96Å; Y55-I173 PolarHBondContact O-N 3.02Å; I173-K218 HydrophobicContact CD1-CD 3.75Å; I173-K218 HydrophobicContact CD1-CG 4.39Å; I173-Y281 HydrophobicContact CG2-CD2 4.03Å; I173-Y281 HydrophobicContact CG2-CG 3.79Å; I173-L291 HydrophobicContact CD1-CD1 3.72Å; I173-L291 HydrophobicContact CG2-CD1 4.38Å; I173-L291 HydrophobicContact CG2-CD2 4.42Å
174	Y	98.7	Very high	96.4	Very high	39 Å²	39	61.5 Å²	61.5	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.3	176.3	-58.3	-91.8	0	0	0	109.1	A53 L54 H148 L151 F152 A155 D172	A53-Y174 CarbonylContact O-C 3.37Å; A53-Y174 VanDerWaalsContact O-CA 3.32Å; A53-Y174 WeakPolarHBondContact O-CA 3.35Å; L54-Y174 HydrophobicContact CD1-CD1 4.15Å; L54-Y174 HydrophobicContact CD1-CE1 3.62Å; H148-Y174 AromaticContact CD2-CD1 3.99Å; H148-Y174 WeakPolarHBondContact NE2-CB 3.15Å; H148-Y174 AromaticContact NE2-CD1 3.47Å; H148-Y174 WeakPolarHBondContact NE2-CD1 3.37Å; H148-Y174 AromaticContact NE2-CG 3.39Å; L151-Y174 HydrophobicContact CB-CD1 4.49Å; L151-Y174 HydrophobicContact CB-CE1 4.39Å; F152-Y174 HydrophobicContact CB-CE1 4.35Å; F152-Y174 HydrophobicContact CD2-CE1 4.49Å; F152-Y174 HydrophobicContact CD2-CE2 4.48Å; F152-Y174 AromaticContact CD2-CZ 3.93Å; A155-Y174 WeakPolarHBondContact CB-OH 3.33Å; D172-Y174 HydrophobicContact CB-CE2 4.16Å; D172-Y174 WeakPolarHBondContact OD2-CE2 3.42Å; D172-Y174 PolarHBondContact OD2-OH 3.13Å
175	G	98.6	Very high	96.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	158.3	172.9	0	0	0	0	0	112.1	H52 A53 P280	H52-G175 VanDerWaalsContact CA-O 3.29Å; H52-G175 WeakPolarHBondContact CA-O 3.25Å; A53-G175 PolarHBondContact N-O 2.82Å; A53-G175 VanDerWaalsContact N-O 3.09Å; A53-G175 PolarHBondContact O-N 2.84Å; G175-P280 WeakPolarHBondContact CA-O 3.32Å
176	W	98.3	Very high	97.1	Very high	74 Å²	74	53.3 Å²	53.3	28%	0.28	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.3	171.6	68.8	91.7	0	0	0	111.8	S51 Y178 L184 P280 Y281 G282	S51-W176 CarbonylContact O-C 3.5Å; S51-W176 VanDerWaalsContact O-CA 3.26Å; S51-W176 WeakPolarHBondContact O-CA 3.43Å; W176-Y178 PolarHBondContact O-N 3.13Å; W176-L184 HydrophobicContact CZ2-CD1 4.48Å; W176-L184 HydrophobicContact CZ2-CD2 4.24Å; W176-P280 HydrophobicContact CD2-CB 4.36Å; W176-P280 HydrophobicContact CZ2-CB 3.99Å; W176-P280 PolarHBondContact N-O 3.27Å; W176-P280 VanDerWaalsContact N-O 3.16Å; W176-P280 WeakPolarHBondContact O-CD 3.3Å; W176-Y281 VanDerWaalsContact CZ3-C 3.45Å; W176-G282 VanDerWaalsContact CH2-O 3.3Å; W176-G282 WeakPolarHBondContact CH2-O 3.31Å
177	M	97.7	Very high	97.3	Very high	67 Å²	67	53.5 Å²	53.5	33%	0.33	26%	0.258	S	S	.	.			trans	-72.3	118.1	170.2	-175	-178.2	-73	0	0	109.5	I49 S51 E181	I49-M177 HydrophobicContact CD1-CE 3.71Å; I49-M177 HydrophobicContact CG1-CE 3.92Å; S51-M177 PolarHBondContact O-N 3.1Å; M177-E181 HydrophobicContact CE-CG 4.17Å; M177-E181 HydrophobicContact CG-CG 4.43Å; M177-E181 HydrophobicContact SD-CG 4.37Å
178	Y	97.1	Very high	97.3	Very high	83 Å²	83	53.3 Å²	53.3	33%	0.325	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-101.6	115	176.5	-179.6	-118.4	0	0	0	109.9	W176 D180 E181 R182 L184	W176-Y178 PolarHBondContact O-N 3.13Å; Y178-D180 PolarHBondContact O-N 3.14Å; Y178-E181 PolarHBondContact O-N 2.86Å; Y178-R182 WeakPolarHBondContact CB-O 3.21Å; Y178-R182 HydrophobicContact CD1-CB 4.03Å; Y178-R182 PolarHBondContact O-N 3.15Å; Y178-L184 HydrophobicContact CD1-CD2 3.86Å; Y178-L184 HydrophobicContact CD2-CD2 4.26Å; Y178-L184 HydrophobicContact CE1-CD2 4.11Å; Y178-L184 HydrophobicContact CE2-CD2 4.48Å; Y178-L184 HydrophobicContact CG-CD2 3.94Å
179	H	95.2	Very high	97.1	Very high	126 Å²	126	49.5 Å²	49.5	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	-134.8	-173	-56.1	-58	0	0	0	111.9	E181	H179-E181 VanDerWaalsContact C-N 3.25Å; H179-E181 PolarHBondContact O-N 3.03Å; H179-E181 VanDerWaalsContact O-N 3.09Å
180	D	91.9	Very high	96.7	Very high	90 Å²	90	45 Å²	45	48%	0.481	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	60	174.6	55.6	-41.5	0	0	0	112	Y178 R182	Y178-D180 PolarHBondContact O-N 3.14Å; D180-R182 PolarHBondContact O-N 3.38Å; D180-R182 VanDerWaalsContact OD1-CD 3.32Å; D180-R182 WeakPolarHBondContact OD1-CD 3.4Å; D180-R182 IonicContact OD1-CZ 2.68Å; D180-R182 IonicContact OD1-NE 3.01Å; D180-R182 PolarHBondContact OD1-NE 3.25Å; D180-R182 IonicContact OD1-NH2 2.78Å; D180-R182 IonicContact OD2-CZ 2.92Å; D180-R182 IonicContact OD2-NE 2.92Å; D180-R182 PolarHBondContact OD2-NE 3.48Å; D180-R182 IonicContact OD2-NH2 3.11Å; D180-R182 PolarHBondContact OD2-NH2 3.21Å
181	E	95	Very high	96.5	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	37.4	176.4	-47.6	-173.4	160.8	0	0	113.8	I49 M177 Y178 H179 D189	I49-E181 HydrophobicContact CD1-CB 4.23Å; I49-E181 HydrophobicContact CD1-CG 3.84Å; M177-E181 HydrophobicContact CE-CG 4.17Å; M177-E181 HydrophobicContact CG-CG 4.43Å; M177-E181 HydrophobicContact SD-CG 4.37Å; Y178-E181 PolarHBondContact O-N 2.86Å; H179-E181 VanDerWaalsContact C-N 3.25Å; H179-E181 PolarHBondContact O-N 3.03Å; H179-E181 VanDerWaalsContact O-N 3.09Å; E181-D189 PolarHBondContact O-N 2.92Å
182	R	97.4	Very high	96.1	Very high	28 Å²	28	43.4 Å²	43.4	11%	0.106	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-87.2	146.9	-179.5	-64.7	-178.4	-177.8	-88.2	-11.4	112.6	Y178 D180 G186 F187 V188 I242 K243 P280	Y178-R182 WeakPolarHBondContact CB-O 3.21Å; Y178-R182 HydrophobicContact CD1-CB 4.03Å; Y178-R182 PolarHBondContact O-N 3.15Å; D180-R182 PolarHBondContact O-N 3.38Å; D180-R182 VanDerWaalsContact OD1-CD 3.32Å; D180-R182 WeakPolarHBondContact OD1-CD 3.4Å; D180-R182 IonicContact OD1-CZ 2.68Å; D180-R182 IonicContact OD1-NE 3.01Å; D180-R182 PolarHBondContact OD1-NE 3.25Å; D180-R182 IonicContact OD1-NH2 2.78Å; D180-R182 IonicContact OD2-CZ 2.92Å; D180-R182 IonicContact OD2-NE 2.92Å; D180-R182 PolarHBondContact OD2-NE 3.48Å; D180-R182 IonicContact OD2-NH2 3.11Å; D180-R182 PolarHBondContact OD2-NH2 3.21Å; R182-G186 WeakPolarHBondContact CD-O 3.29Å; R182-G186 PolarHBondContact NH1-O 2.62Å; R182-F187 CarbonylContact C-O 3.54Å; R182-F187 VanDerWaalsContact CA-O 3.28Å; R182-F187 WeakPolarHBondContact CA-O 3.42Å; R182-V188 HydrophobicContact CG-CG2 3.99Å; R182-I242 PolarHBondContact NH1-O 2.7Å; R182-K243 PolarHBondContact NH2-O 3.22Å; R182-P280 VanDerWaalsContact O-CG 3.25Å; R182-P280 WeakPolarHBondContact O-CG 3.24Å
183	D	97.1	Very high	95.9	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.059	21%	0.211	C	C	.	.			trans	-70.6	161.3	157.5	174	48.6	0	0	0	110.8	S185 G186 F187 H221 L290	D183-S185 PolarHBondContact O-N 2.93Å; D183-S185 WeakPolarHBondContact OD2-CB 3.47Å; D183-S185 PolarHBondContact OD2-N 3.23Å; D183-S185 PolarHBondContact OD2-OG 2.84Å; D183-G186 WeakPolarHBondContact O-CA 3.38Å; D183-G186 PolarHBondContact O-N 2.97Å; D183-F187 PolarHBondContact N-O 2.88Å; D183-H221 IonicContact OD1-CD2 3.78Å; D183-H221 IonicContact OD1-NE2 3.89Å; D183-H221 PolarHBondContact OD1-NE2 3.47Å; D183-H221 IonicContact OD2-CD2 3.57Å; D183-H221 IonicContact OD2-NE2 3.75Å; D183-H221 PolarHBondContact OD2-NE2 2.82Å; D183-H221 VanDerWaalsContact OD2-NE2 3.15Å; D183-L290 HydrophobicContact CB-CD1 4.31Å
184	L	98	Very high	95.8	Very high	26 Å²	26	40.2 Å²	40.2	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.1	177.5	-59.7	-176.9	0	0	0	113.6	W176 Y178 G186 M223 P280 A288	W176-L184 HydrophobicContact CZ2-CD1 4.48Å; W176-L184 HydrophobicContact CZ2-CD2 4.24Å; Y178-L184 HydrophobicContact CD1-CD2 3.86Å; Y178-L184 HydrophobicContact CD2-CD2 4.26Å; Y178-L184 HydrophobicContact CE1-CD2 4.11Å; Y178-L184 HydrophobicContact CE2-CD2 4.48Å; Y178-L184 HydrophobicContact CG-CD2 3.94Å; L184-G186 PolarHBondContact O-N 2.77Å; L184-M223 HydrophobicContact CB-CE 4.23Å; L184-M223 HydrophobicContact CB-SD 4.46Å; L184-P280 HydrophobicContact CD1-CB 4.25Å; L184-P280 HydrophobicContact CD2-CB 3.84Å; L184-P280 HydrophobicContact CD2-CG 4.14Å; L184-P280 HydrophobicContact CG-CB 3.78Å; L184-P280 HydrophobicContact CG-CG 4.16Å; L184-A288 HydrophobicContact CD1-CB 3.79Å
185	S	96.8	Very high	95.4	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.084	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.7	164.4	62.9	0	0	0	0	113.9	D183	D183-S185 PolarHBondContact O-N 2.93Å; D183-S185 WeakPolarHBondContact OD2-CB 3.47Å; D183-S185 PolarHBondContact OD2-N 3.23Å; D183-S185 PolarHBondContact OD2-OG 2.84Å
186	G	97.3	Very high	95.1	Very high	19 Å²	19	46.5 Å²	46.5	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	92.6	0.6	-179.1	0	0	0	0	0	114.2	R182 D183 L184	R182-G186 WeakPolarHBondContact CD-O 3.29Å; R182-G186 PolarHBondContact NH1-O 2.62Å; D183-G186 WeakPolarHBondContact O-CA 3.38Å; D183-G186 PolarHBondContact O-N 2.97Å; L184-G186 PolarHBondContact O-N 2.77Å
187	F	98.2	Very high	94.8	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	25%	0.247	C	C	.	.	S	Bend	trans	-93.2	145.7	176.5	-67.2	-92.1	0	0	0	111.5	R182 D183 D189 K234 E235 I238 R240 I242	R182-F187 CarbonylContact C-O 3.54Å; R182-F187 VanDerWaalsContact CA-O 3.28Å; R182-F187 WeakPolarHBondContact CA-O 3.42Å; D183-F187 PolarHBondContact N-O 2.88Å; F187-D189 PolarHBondContact O-N 2.68Å; F187-K234 HydrophobicContact CE2-CB 3.97Å; F187-K234 HydrophobicContact CZ-CB 3.92Å; F187-E235 HydrophobicContact CE1-CG 4.16Å; F187-E235 HydrophobicContact CZ-CG 4.22Å; F187-I238 HydrophobicContact CD1-CB 4.04Å; F187-I238 HydrophobicContact CD1-CG1 4.11Å; F187-I238 HydrophobicContact CD1-CG2 3.72Å; F187-I238 HydrophobicContact CD2-CG1 3.73Å; F187-I238 HydrophobicContact CE1-CB 3.82Å; F187-I238 HydrophobicContact CE1-CG1 3.95Å; F187-I238 HydrophobicContact CE1-CG2 3.99Å; F187-I238 HydrophobicContact CE2-CB 4.36Å; F187-I238 HydrophobicContact CE2-CG1 3.56Å; F187-I238 HydrophobicContact CG-CB 4.38Å; F187-I238 HydrophobicContact CG-CG1 3.99Å; F187-I238 HydrophobicContact CG-CG2 4.07Å; F187-I238 HydrophobicContact CZ-CB 3.97Å; F187-I238 HydrophobicContact CZ-CG1 3.66Å; F187-R240 WeakPolarHBondContact CE1-O 3.23Å; F187-I242 HydrophobicContact CD1-CG1 4.05Å; F187-I242 HydrophobicContact CD2-CG1 4.38Å; F187-I242 HydrophobicContact CE1-CB 4.27Å; F187-I242 HydrophobicContact CE1-CD1 4.44Å; F187-I242 HydrophobicContact CE1-CG1 3.34Å; F187-I242 HydrophobicContact CE2-CD1 4.18Å; F187-I242 HydrophobicContact CE2-CG1 3.73Å; F187-I242 HydrophobicContact CZ-CB 4.47Å; F187-I242 HydrophobicContact CZ-CD1 3.82Å; F187-I242 HydrophobicContact CZ-CG1 3.17Å
188	V	97.1	Very high	94.6	Very high	31 Å²	31	50.5 Å²	50.5	19%	0.188	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-65.9	123.5	172.6	-179.4	0	0	0	0	109.6	R182 T191	R182-V188 HydrophobicContact CG-CG2 3.99Å; V188-T191 WeakPolarHBondContact CG1-OG1 3.31Å
189	D	93.1	Very high	94.6	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.128	27%	0.271	C	S	.	.	S	Bend	trans	-87.9	150.3	167.4	-166.4	9.8	0	0	0	109.3	E181 F187 T191 R276 S278	E181-D189 PolarHBondContact O-N 2.92Å; F187-D189 PolarHBondContact O-N 2.68Å; D189-T191 PolarHBondContact O-N 3.31Å; D189-R276 IonicContact OD1-CZ 3.03Å; D189-R276 IonicContact OD1-NE 2.83Å; D189-R276 PolarHBondContact OD1-NE 3.11Å; D189-R276 IonicContact OD1-NH1 3.56Å; D189-R276 PolarHBondContact OD1-NH1 3Å; D189-R276 IonicContact OD1-NH2 3.47Å; D189-S278 WeakPolarHBondContact OD2-CB 3.45Å; D189-S278 PolarHBondContact OD2-OG 2.79Å
190	G	90.5	Very high	94.6	Very high	10 Å²	10	46.2 Å²	46.2	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	82.3	3.1	178.8	0	0	0	0	0	115.8	A192 N193 R276	G190-A192 PolarHBondContact O-N 2.93Å; G190-A192 VanDerWaalsContact O-N 3.11Å; G190-N193 WeakPolarHBondContact O-CB 3.06Å; G190-N193 PolarHBondContact O-N 2.85Å; G190-R276 VanDerWaalsContact CA-NH2 3.31Å; G190-R276 VanDerWaalsContact N-NH2 3.17Å
191	T	92.7	Very high	94.8	Very high	35 Å²	35	43.4 Å²	43.4	22%	0.215	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-42.6	177.2	-53.1	0	0	0	0	113.2	V188 D189 K195 S245	V188-T191 WeakPolarHBondContact CG1-OG1 3.31Å; D189-T191 PolarHBondContact O-N 3.31Å; T191-K195 PolarHBondContact O-NZ 3.2Å; T191-S245 PolarHBondContact OG1-OG 2.8Å
192	A	90.9	Very high	94.9	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6	179	0	0	0	0	0	115.3	G190 K270	G190-A192 PolarHBondContact O-N 2.93Å; G190-A192 VanDerWaalsContact O-N 3.11Å; A192-K270 HydrophobicContact CB-CD 4.47Å; A192-K270 PolarHBondContact O-NZ 3.07Å
193	N	94.6	Very high	94.9	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.102	24%	0.24	C	C	.	.	S	Bend	trans	-63.7	148.5	175.9	-80	-7.8	0	0	0	111.3	G190 R276	G190-N193 WeakPolarHBondContact O-CB 3.06Å; G190-N193 PolarHBondContact O-N 2.85Å; N193-R276 PolarHBondContact ND2-O 3.48Å; N193-R276 WeakPolarHBondContact OD1-CB 3.39Å; N193-R276 PolarHBondContact OD1-N 2.97Å
194	P	95.4	Very high	95	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.039	24%	0.237	C	C	.	.			trans	-57.8	140.5	167.9	-17.8	30.2	0	0	0	111.4	E199 R200 V203 V275	P194-E199 HydrophobicContact CB-CB 3.63Å; P194-R200 HydrophobicContact CB-CG 3.83Å; P194-R200 HydrophobicContact CG-CG 4.38Å; P194-R200 PolarHBondContact O-NE 3.35Å; P194-V203 HydrophobicContact CG-CB 4.14Å; P194-V203 HydrophobicContact CG-CG1 4.45Å; P194-V203 HydrophobicContact CG-CG2 3.77Å; P194-V275 HydrophobicContact CG-CG2 4.15Å
195	K	90.6	Very high	95	Very high	149 Å²	149	42.6 Å²	42.6	65%	0.648	23%	0.234	S	C	*	.	S	Bend	trans	-92.1	-35.7	-163.1	-62.1	-59.5	176.5	-169.2	0	113.1	T191 E199	T191-K195 PolarHBondContact O-NZ 3.2Å; K195-E199 PolarHBondContact N-OE2 3.33Å
196	C	92.8	Very high	95	Very high	23 Å²	23	43.1 Å²	43.1	16%	0.155	24%	0.236	C	C	.	.	S	Bend	trans	-107.6	164.6	177.3	75.1	0	0	0	0	111.9	C4 D198 E199 R200	C4-C196 HydrophobicContact CB-CB 4.23Å; C4-C196 WeakPolarHBondContact SG-CB 3.1Å; C196-D198 VanDerWaalsContact C-N 3.31Å; C196-D198 PolarHBondContact O-N 3.46Å; C196-E199 PolarHBondContact O-N 3.38Å; C196-E199 WeakPolarHBondContact SG-CG 3.31Å; C196-R200 WeakPolarHBondContact O-CG 3.47Å; C196-R200 PolarHBondContact O-N 3.01Å
197	L	92.1	Very high	94.8	Very high	93 Å²	93	47.3 Å²	47.3	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-38.3	-178.2	-71.1	172.2	0	0	0	112.5	R200 A201	L197-R200 PolarHBondContact O-N 2.98Å; L197-A201 WeakPolarHBondContact O-CB 3.42Å; L197-A201 PolarHBondContact O-N 2.81Å
198	D	93.6	Very high	94.6	Very high	131 Å²	131	55 Å²	55	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-66.9	-43	-179.7	-64.8	-23.3	0	0	0	111.6	C196 R200 A201 E202	C196-D198 VanDerWaalsContact C-N 3.31Å; C196-D198 PolarHBondContact O-N 3.46Å; D198-R200 VanDerWaalsContact C-N 3.33Å; D198-R200 PolarHBondContact O-N 1.98Å; D198-A201 PolarHBondContact O-N 3.17Å; D198-E202 PolarHBondContact O-N 2.91Å
199	E	95.5	Very high	94.5	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-39.3	174.6	-67.5	169.8	176.6	0	0	111.4	P194 K195 C196 A201 E202 V203	P194-E199 HydrophobicContact CB-CB 3.63Å; K195-E199 PolarHBondContact N-OE2 3.33Å; C196-E199 PolarHBondContact O-N 3.38Å; C196-E199 WeakPolarHBondContact SG-CG 3.31Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-E202 PolarHBondContact O-N 3.17Å; E199-V203 WeakPolarHBondContact O-CG2 3.3Å; E199-V203 PolarHBondContact O-N 2.93Å; E199-V203 VanDerWaalsContact O-N 3.12Å
200	R	96.5	Very high	94.6	Very high	23 Å²	23	53.7 Å²	53.7	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-41.6	174.2	-72.5	-178.5	175.2	-160.4	8	111.7	L46 S47 D48 P194 C196 L197 D198 V203 A204 V275	L46-R200 HydrophobicContact CD2-CB 4.08Å; L46-R200 PolarHBondContact O-NH1 3.46Å; S47-R200 PolarHBondContact O-NH1 3.41Å; D48-R200 IonicContact OD1-CZ 2.76Å; D48-R200 IonicContact OD1-NH1 3.54Å; D48-R200 PolarHBondContact OD1-NH1 3.06Å; D48-R200 IonicContact OD1-NH2 2.62Å; D48-R200 PolarHBondContact OD1-NH2 2.88Å; P194-R200 HydrophobicContact CB-CG 3.83Å; P194-R200 HydrophobicContact CG-CG 4.38Å; P194-R200 PolarHBondContact O-NE 3.35Å; C196-R200 WeakPolarHBondContact O-CG 3.47Å; C196-R200 PolarHBondContact O-N 3.01Å; L197-R200 PolarHBondContact O-N 2.98Å; D198-R200 VanDerWaalsContact C-N 3.33Å; D198-R200 PolarHBondContact O-N 1.98Å; R200-V203 PolarHBondContact O-N 2.99Å; R200-A204 WeakPolarHBondContact O-CB 3.03Å; R200-A204 PolarHBondContact O-N 2.81Å; R200-V275 HydrophobicContact CB-CG2 4.12Å; R200-V275 HydrophobicContact CG-CG1 4.37Å; R200-V275 HydrophobicContact CG-CG2 4.1Å
201	A	96.5	Very high	94.9	Very high	31 Å²	31	53.2 Å²	53.2	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-44.4	177.8	0	0	0	0	0	111.2	L46 L197 D198 E199 V203 A204 I205	L46-A201 HydrophobicContact CD1-CB 3.96Å; L46-A201 HydrophobicContact CD2-CB 4.39Å; L197-A201 WeakPolarHBondContact O-CB 3.42Å; L197-A201 PolarHBondContact O-N 2.81Å; D198-A201 PolarHBondContact O-N 3.17Å; E199-A201 VanDerWaalsContact C-N 3.33Å; A201-V203 VanDerWaalsContact C-N 3.29Å; A201-V203 PolarHBondContact O-N 3.22Å; A201-A204 PolarHBondContact O-N 3.16Å; A201-I205 HydrophobicContact CB-CG1 4.46Å; A201-I205 VanDerWaalsContact O-CB 3.29Å; A201-I205 WeakPolarHBondContact O-CB 3.45Å; A201-I205 WeakPolarHBondContact O-CG1 3.18Å; A201-I205 PolarHBondContact O-N 3.2Å
202	E	96.2	Very high	95.2	Very high	107 Å²	107	51.6 Å²	51.6	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-38	176.9	-177.5	60.9	-159.6	0	0	112.3	D198 E199 K207	D198-E202 PolarHBondContact O-N 2.91Å; E199-E202 PolarHBondContact O-N 3.17Å; E202-K207 VanDerWaalsContact OE1-CE 3.31Å; E202-K207 WeakPolarHBondContact OE1-CE 3.22Å; E202-K207 IonicContact OE1-NZ 3.96Å; E202-K207 PolarHBondContact OE1-NZ 3.16Å; E202-K207 WeakPolarHBondContact OE2-CE 3.44Å; E202-K207 IonicContact OE2-NZ 2.7Å; E202-K207 PolarHBondContact OE2-NZ 3.49Å
203	V	97.8	Very high	95.6	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-78.8	-44.1	179.6	172.8	0	0	0	0	112.6	P194 E199 R200 A201 E273 V275 A296 A297	P194-V203 HydrophobicContact CG-CB 4.14Å; P194-V203 HydrophobicContact CG-CG1 4.45Å; P194-V203 HydrophobicContact CG-CG2 3.77Å; E199-V203 WeakPolarHBondContact O-CG2 3.3Å; E199-V203 PolarHBondContact O-N 2.93Å; E199-V203 VanDerWaalsContact O-N 3.12Å; R200-V203 PolarHBondContact O-N 2.99Å; A201-V203 VanDerWaalsContact C-N 3.29Å; A201-V203 PolarHBondContact O-N 3.22Å; V203-E273 VanDerWaalsContact CG1-C 3.45Å; V203-E273 HydrophobicContact CG1-CB 3.81Å; V203-E273 WeakPolarHBondContact CG1-O 3.37Å; V203-E273 HydrophobicContact CG2-CB 3.8Å; V203-V275 HydrophobicContact CB-CG2 4.19Å; V203-V275 HydrophobicContact CG1-CG2 4.01Å; V203-A296 CarbonylContact O-C 3.57Å; V203-A296 WeakPolarHBondContact O-CA 3.32Å; V203-A297 PolarHBondContact O-N 2.84Å
204	A	98.3	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-88.8	-29.4	-168.9	0	0	0	0	0	113.9	V45 L46 R200 A201 S212 V275 A296 A297	V45-A204 HydrophobicContact CG1-CB 3.99Å; L46-A204 HydrophobicContact CD2-CB 3.88Å; R200-A204 WeakPolarHBondContact O-CB 3.03Å; R200-A204 PolarHBondContact O-N 2.81Å; A201-A204 PolarHBondContact O-N 3.16Å; A204-S212 WeakPolarHBondContact O-CB 3.5Å; A204-S212 PolarHBondContact O-OG 2.83Å; A204-V275 HydrophobicContact CB-CG2 3.97Å; A204-A296 CarbonylContact O-C 3.45Å; A204-A297 PolarHBondContact O-N 3.32Å
205	I	98.1	Very high	96	Very high	16 Å²	16	48.6 Å²	48.6	8%	0.082	23%	0.234	C	C	.	.			trans	-100.3	126.1	-168	-52.6	-50.5	0	0	0	111.6	I39 P41 V45 L46 A201 K207 A297	I39-I205 HydrophobicContact CG2-CG2 3.7Å; P41-I205 HydrophobicContact CB-CD1 3.47Å; P41-I205 VanDerWaalsContact CB-CD1 3.47Å; P41-I205 HydrophobicContact CB-CG1 4.23Å; P41-I205 HydrophobicContact CG-CD1 4.06Å; P41-I205 HydrophobicContact CG-CG1 4.36Å; V45-I205 HydrophobicContact CG1-CD1 3.63Å; L46-I205 HydrophobicContact CD1-CG1 4.46Å; L46-I205 HydrophobicContact CD2-CD1 4.09Å; L46-I205 HydrophobicContact CD2-CG1 4.15Å; L46-I205 HydrophobicContact CG-CD1 4.39Å; A201-I205 HydrophobicContact CB-CG1 4.46Å; A201-I205 VanDerWaalsContact O-CB 3.29Å; A201-I205 WeakPolarHBondContact O-CB 3.45Å; A201-I205 WeakPolarHBondContact O-CG1 3.18Å; A201-I205 PolarHBondContact O-N 3.2Å; I205-K207 PolarHBondContact O-N 3.46Å; I205-A297 WeakPolarHBondContact O-CB 3.25Å
206	N	97.1	Very high	96.4	Very high	22 Å²	22	41.9 Å²	41.9	12%	0.118	21%	0.205	C	C	.	.			trans	-74.3	110.9	173	-177.4	-81.6	0	0	0	110.4	R208 T209 G210 G211 A297	N206-R208 PolarHBondContact O-N 2.78Å; N206-R208 PolarHBondContact OD1-N 2.89Å; N206-T209 WeakPolarHBondContact CB-OG1 3.45Å; N206-T209 PolarHBondContact O-N 3.49Å; N206-T209 VanDerWaalsContact O-N 3.13Å; N206-T209 WeakPolarHBondContact OD1-CG2 3.46Å; N206-T209 PolarHBondContact OD1-N 2.83Å; N206-T209 PolarHBondContact OD1-OG1 3.36Å; N206-G210 WeakPolarHBondContact O-CA 3.37Å; N206-G210 PolarHBondContact O-N 2.97Å; N206-G211 WeakPolarHBondContact CB-O 3.43Å; N206-G211 PolarHBondContact N-O 3.26Å; N206-A297 WeakPolarHBondContact CB-O 3.47Å; N206-A297 PolarHBondContact ND2-O 2.97Å
207	K	93.5	Very high	96.6	Very high	108 Å²	108	41 Å²	41	47%	0.47	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26	-176.1	-57.9	-171.8	177.5	-179.4	0	115	F36 I39 E202 I205	F36-K207 HydrophobicContact CE1-CD 3.98Å; F36-K207 HydrophobicContact CE1-CG 4.07Å; F36-K207 HydrophobicContact CZ-CD 3.98Å; I39-K207 WeakPolarHBondContact CD1-O 3.41Å; E202-K207 VanDerWaalsContact OE1-CE 3.31Å; E202-K207 WeakPolarHBondContact OE1-CE 3.22Å; E202-K207 IonicContact OE1-NZ 3.96Å; E202-K207 PolarHBondContact OE1-NZ 3.16Å; E202-K207 WeakPolarHBondContact OE2-CE 3.44Å; E202-K207 IonicContact OE2-NZ 2.7Å; E202-K207 PolarHBondContact OE2-NZ 3.49Å; I205-K207 PolarHBondContact O-N 3.46Å
208	R	93.1	Very high	97	Very high	173 Å²	173	38.8 Å²	38.8	65%	0.653	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-37.7	-179.4	-178.7	172.2	178	-159.1	-4.4	112.8	L114 N206	L114-R208 PolarHBondContact O-NH2 2.91Å; N206-R208 PolarHBondContact O-N 2.78Å; N206-R208 PolarHBondContact OD1-N 2.89Å
209	T	94.6	Very high	97.2	Very high	23 Å²	23	33.1 Å²	33.1	14%	0.141	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-20.3	-169.2	63.2	0	0	0	0	112.9	R115 I117 N206 G211 Y334	R115-T209 WeakPolarHBondContact O-CG2 3.31Å; I117-T209 HydrophobicContact CB-CG2 4.4Å; I117-T209 HydrophobicContact CG1-CG2 3.49Å; I117-T209 VanDerWaalsContact CG1-CG2 3.49Å; N206-T209 WeakPolarHBondContact CB-OG1 3.45Å; N206-T209 PolarHBondContact O-N 3.49Å; N206-T209 VanDerWaalsContact O-N 3.13Å; N206-T209 WeakPolarHBondContact OD1-CG2 3.46Å; N206-T209 PolarHBondContact OD1-N 2.83Å; N206-T209 PolarHBondContact OD1-OG1 3.36Å; T209-G211 PolarHBondContact O-N 3.4Å; T209-G211 PolarHBondContact OG1-N 3.32Å; T209-Y334 WeakPolarHBondContact CB-OH 3.43Å; T209-Y334 PolarHBondContact OG1-OH 3.12Å
210	G	95.6	Very high	97.4	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	70.7	-1.9	-172.6	0	0	0	0	0	115.6	N206 G337	N206-G210 WeakPolarHBondContact O-CA 3.37Å; N206-G210 PolarHBondContact O-N 2.97Å; G210-G337 WeakPolarHBondContact O-CA 3.26Å
211	G	97.8	Very high	97.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.135	C	C	.	.			trans	-90.4	-176.9	171.7	0	0	0	0	0	113.1	N206 T209 Y334 F335	N206-G211 WeakPolarHBondContact CB-O 3.43Å; N206-G211 PolarHBondContact N-O 3.26Å; T209-G211 PolarHBondContact O-N 3.4Å; T209-G211 PolarHBondContact OG1-N 3.32Å; G211-Y334 WeakPolarHBondContact CA-OH 3.36Å; G211-F335 CarbonylContact C-O 3.52Å; G211-F335 WeakPolarHBondContact CA-O 3.37Å
212	S	98.8	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143	179.1	-171	0	0	0	0	110.1	A204 A296 F335	A204-S212 WeakPolarHBondContact O-CB 3.5Å; A204-S212 PolarHBondContact O-OG 2.83Å; S212-A296 PolarHBondContact OG-O 2.99Å; S212-F335 PolarHBondContact N-O 2.8Å; S212-F335 PolarHBondContact O-N 3.23Å
213	Y	98.8	Very high	97.6	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.9	167.2	-58.7	-93	0	0	0	108.2	I117 K118 Y120 Y295 A296 A297 T299 W333 Y334	I117-Y213 HydrophobicContact CG2-CE1 4.42Å; K118-Y213 PolarHBondContact N-OH 2.8Å; Y120-Y213 HydrophobicContact CD1-CD1 4.1Å; Y120-Y213 AromaticContact CD1-CE1 3.7Å; Y120-Y213 HydrophobicContact CD1-CE1 3.7Å; Y120-Y213 HydrophobicContact CG-CD1 4.07Å; Y120-Y213 HydrophobicContact CG-CE1 4.1Å; Y213-Y295 CarbonylContact O-C 3.54Å; Y213-Y295 WeakPolarHBondContact O-CA 3.33Å; Y213-A296 PolarHBondContact N-O 3.48Å; Y213-A296 PolarHBondContact O-N 3.31Å; Y213-A297 WeakPolarHBondContact CD2-O 3.26Å; Y213-A297 WeakPolarHBondContact CE2-O 3.26Å; Y213-T299 HydrophobicContact CD1-CG2 3.71Å; Y213-T299 HydrophobicContact CE1-CG2 4.37Å; Y213-T299 HydrophobicContact CG-CG2 4Å; Y213-W333 CarbonylContact C-O 3.57Å; Y213-W333 WeakPolarHBondContact CA-O 3.37Å; Y213-Y334 AromaticContact CD1-CD2 3.85Å; Y213-Y334 HydrophobicContact CD1-CD2 3.85Å; Y213-Y334 HydrophobicContact CD2-CD2 4.49Å; Y213-Y334 AromaticContact CE1-CD2 3.72Å; Y213-Y334 HydrophobicContact CE1-CD2 3.72Å; Y213-Y334 HydrophobicContact CE1-CE2 4.29Å; Y213-Y334 HydrophobicContact CE2-CD2 4.37Å; Y213-Y334 HydrophobicContact CE2-CE2 4.27Å; Y213-Y334 HydrophobicContact CG-CD2 4.24Å
214	A	98.9	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143	174.4	0	0	0	0	0	111.5	A294 Y295 Y332 W333 F335	A214-A294 CarbonylContact C-O 3.56Å; A214-A294 WeakPolarHBondContact CA-O 3.44Å; A214-Y295 HydrophobicContact CB-CD1 3.74Å; A214-Y295 HydrophobicContact CB-CE1 3.72Å; A214-Y332 CarbonylContact O-C 3.19Å; A214-Y332 WeakPolarHBondContact O-CA 3.35Å; A214-W333 HydrophobicContact CB-CB 4.29Å; A214-W333 PolarHBondContact N-O 2.8Å; A214-W333 PolarHBondContact O-N 3.03Å; A214-F335 HydrophobicContact CB-CD2 3.76Å; A214-F335 HydrophobicContact CB-CE2 3.52Å
215	L	98.9	Very high	97.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.9	165.5	168	58.2	0	0	0	107.7	Y122 Q217 F292 I293 A294 F302 L306 Y332	Y122-L215 HydrophobicContact CD2-CD1 4.23Å; Y122-L215 HydrophobicContact CE2-CD1 3.63Å; L215-Q217 HydrophobicContact CD1-CG 3.65Å; L215-Q217 HydrophobicContact CG-CG 4.17Å; L215-F292 HydrophobicContact CB-CE1 4.45Å; L215-F292 HydrophobicContact CD2-CD1 4.27Å; L215-F292 HydrophobicContact CD2-CE1 3.72Å; L215-F292 HydrophobicContact CG-CD1 4.18Å; L215-F292 HydrophobicContact CG-CE1 3.95Å; L215-I293 VanDerWaalsContact O-CA 3.26Å; L215-I293 WeakPolarHBondContact O-CA 3.17Å; L215-A294 PolarHBondContact N-O 2.87Å; L215-A294 PolarHBondContact O-N 3.23Å; L215-F302 HydrophobicContact CB-CB 4.49Å; L215-F302 HydrophobicContact CB-CD1 3.81Å; L215-F302 HydrophobicContact CB-CD2 3.99Å; L215-F302 HydrophobicContact CB-CE1 3.94Å; L215-F302 HydrophobicContact CB-CE2 4.11Å; L215-F302 HydrophobicContact CB-CG 3.84Å; L215-F302 HydrophobicContact CB-CZ 4.09Å; L215-F302 HydrophobicContact CD2-CB 4.18Å; L215-F302 HydrophobicContact CD2-CD1 4.15Å; L215-F302 HydrophobicContact CD2-CG 4.26Å; L215-L306 HydrophobicContact CD1-CD1 4.32Å; L215-L306 HydrophobicContact CD2-CD1 4.02Å; L215-L306 HydrophobicContact CD2-CD2 3.89Å; L215-L306 HydrophobicContact CD2-CG 4.16Å; L215-Y332 HydrophobicContact CB-CD1 4.08Å; L215-Y332 HydrophobicContact CB-CE1 4.02Å; L215-Y332 HydrophobicContact CD1-CD1 3.91Å; L215-Y332 HydrophobicContact CD1-CE1 3.71Å; L215-Y332 HydrophobicContact CD2-CE1 4.48Å; L215-Y332 HydrophobicContact CG-CE1 4.28Å
216	V	98.9	Very high	97.6	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.7	172.5	-177.5	0	0	0	0	109.1	F140 F292 I293 G330 N331 W333	F140-V216 HydrophobicContact CD1-CG2 4.16Å; F140-V216 HydrophobicContact CE1-CG1 4.46Å; F140-V216 HydrophobicContact CE1-CG2 3.65Å; F140-V216 HydrophobicContact CE2-CG1 3.91Å; F140-V216 HydrophobicContact CE2-CG2 4.34Å; F140-V216 HydrophobicContact CZ-CB 4.32Å; F140-V216 HydrophobicContact CZ-CG1 3.69Å; F140-V216 HydrophobicContact CZ-CG2 3.74Å; V216-F292 CarbonylContact C-O 3.46Å; V216-F292 VanDerWaalsContact CA-O 3.31Å; V216-F292 WeakPolarHBondContact CA-O 3.13Å; V216-I293 HydrophobicContact CG2-CB 4.31Å; V216-I293 HydrophobicContact CG2-CD1 3.82Å; V216-I293 HydrophobicContact CG2-CG1 3.86Å; V216-G330 WeakPolarHBondContact O-CA 3.41Å; V216-N331 PolarHBondContact N-O 3.22Å; V216-N331 VanDerWaalsContact N-O 3.09Å; V216-N331 PolarHBondContact O-N 3.37Å; V216-W333 VanDerWaalsContact CG2-CD1 3.49Å; V216-W333 HydrophobicContact CG2-CG 4.48Å
217	Q	98.9	Very high	97.5	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.8	178.8	-64.9	172.8	-25.1	0	0	111.2	Y122 L215 W219 F292 T329	Y122-Q217 PolarHBondContact OH-NE2 2.84Å; L215-Q217 HydrophobicContact CD1-CG 3.65Å; L215-Q217 HydrophobicContact CG-CG 4.17Å; Q217-W219 VanDerWaalsContact CB-NE1 3.34Å; Q217-F292 HydrophobicContact CB-CB 4.29Å; Q217-F292 PolarHBondContact N-O 2.69Å; Q217-F292 PolarHBondContact O-N 3.37Å; Q217-T329 WeakPolarHBondContact CA-O 3.22Å; Q217-T329 WeakPolarHBondContact CB-O 3.45Å
218	K	98.8	Very high	97.7	Very high	47 Å²	47	44.6 Å²	44.6	20%	0.204	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123	170.6	-173.6	-178.8	-179.3	-178.6	0	109.8	I173 Y281 L291 C327 V328 T329	I173-K218 HydrophobicContact CD1-CD 3.75Å; I173-K218 HydrophobicContact CD1-CG 4.39Å; K218-Y281 HydrophobicContact CD-CE2 4.3Å; K218-Y281 WeakPolarHBondContact CE-OH 3.41Å; K218-Y281 HydrophobicContact CG-CE1 3.84Å; K218-Y281 HydrophobicContact CG-CE2 4.27Å; K218-Y281 VanDerWaalsContact CG-OH 3.23Å; K218-Y281 WeakPolarHBondContact CG-OH 3.25Å; K218-L291 HydrophobicContact CB-CD1 3.75Å; K218-L291 HydrophobicContact CG-CD1 4.02Å; K218-C327 WeakPolarHBondContact O-CA 3.36Å; K218-V328 HydrophobicContact CB-CG2 3.87Å; K218-V328 HydrophobicContact CD-CG2 3.73Å; K218-V328 HydrophobicContact CG-CG2 3.75Å; K218-V328 WeakPolarHBondContact O-CG2 3.05Å; K218-V328 PolarHBondContact O-N 2.83Å; K218-T329 HydrophobicContact CB-CG2 4.15Å; K218-T329 WeakPolarHBondContact CB-OG1 3.49Å; K218-T329 HydrophobicContact CD-CG2 4.46Å; K218-T329 PolarHBondContact N-O 3.35Å; K218-T329 VanDerWaalsContact N-O 3.14Å; K218-T329 PolarHBondContact N-OG1 2.67Å; K218-T329 VanDerWaalsContact N-OG1 3.1Å
219	W	98.8	Very high	98	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.045	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.9	178.8	-67	86.3	0	0	0	110.4	L132 Q217 Y281 G289 L290 M309 M322 R326 C327	L132-W219 HydrophobicContact CD2-CH2 3.51Å; L132-W219 HydrophobicContact CD2-CZ2 3.7Å; Q217-W219 VanDerWaalsContact CB-NE1 3.34Å; W219-Y281 VanDerWaalsContact O-CE1 3.27Å; W219-Y281 WeakPolarHBondContact O-CE1 3.29Å; W219-Y281 PolarHBondContact O-OH 3.25Å; W219-G289 WeakPolarHBondContact O-CA 3.43Å; W219-L290 HydrophobicContact CB-CB 4.45Å; W219-L290 WeakPolarHBondContact CB-O 3.36Å; W219-L290 PolarHBondContact N-O 2.85Å; W219-L290 PolarHBondContact O-N 2.88Å; W219-M309 HydrophobicContact CH2-CE 3.49Å; W219-M309 VanDerWaalsContact CH2-CE 3.49Å; W219-M309 HydrophobicContact CZ2-CE 3.81Å; W219-M309 HydrophobicContact CZ3-CE 4.43Å; W219-M322 HydrophobicContact CH2-CE 4.4Å; W219-M322 HydrophobicContact CH2-CG 4.16Å; W219-M322 HydrophobicContact CH2-SD 4.48Å; W219-M322 HydrophobicContact CZ3-CE 4.49Å; W219-M322 HydrophobicContact CZ3-CG 4.07Å; W219-R326 CarbonylContact C-O 3.56Å; W219-R326 WeakPolarHBondContact CA-O 3.32Å; W219-C327 HydrophobicContact CD2-CB 3.84Å; W219-C327 HydrophobicContact CE3-CB 3.73Å; W219-C327 HydrophobicContact CH2-CB 3.69Å; W219-C327 HydrophobicContact CZ2-CB 3.76Å; W219-C327 HydrophobicContact CZ3-CB 3.66Å
220	V	98.8	Very high	98.2	Very high	13 Å²	13	39.2 Å²	39.2	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.1	176	-179.3	0	0	0	0	108	Y281 D287 S325 R326 V328	V220-Y281 WeakPolarHBondContact CG2-OH 3.32Å; V220-D287 HydrophobicContact CG1-CB 4.03Å; V220-D287 HydrophobicContact CG2-CB 4.27Å; V220-S325 WeakPolarHBondContact O-CA 3.28Å; V220-R326 PolarHBondContact N-O 3.48Å; V220-R326 PolarHBondContact O-N 2.67Å; V220-V328 HydrophobicContact CB-CG1 4.44Å; V220-V328 HydrophobicContact CG2-CG1 3.79Å; V220-V328 HydrophobicContact CG2-CG2 3.99Å
221	H	98.7	Very high	98.3	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.7	-179.3	-60.3	-14.4	0	0	0	111.5	D183 M223 L226 A288 G289 L290 F324 S325	D183-H221 IonicContact OD1-CD2 3.78Å; D183-H221 IonicContact OD1-NE2 3.89Å; D183-H221 PolarHBondContact OD1-NE2 3.47Å; D183-H221 IonicContact OD2-CD2 3.57Å; D183-H221 IonicContact OD2-NE2 3.75Å; D183-H221 PolarHBondContact OD2-NE2 2.82Å; D183-H221 VanDerWaalsContact OD2-NE2 3.15Å; H221-M223 HydrophobicContact CB-SD 3.79Å; H221-M223 PolarHBondContact O-N 2.88Å; H221-M223 VanDerWaalsContact O-N 3.12Å; H221-L226 HydrophobicContact CB-CD1 4.05Å; H221-A288 PolarHBondContact N-O 2.87Å; H221-G289 VanDerWaalsContact CD2-CA 3.4Å; H221-G289 WeakPolarHBondContact CD2-CA 3.43Å; H221-L290 PolarHBondContact NE2-N 2.74Å; H221-F324 CarbonylContact C-O 3.53Å; H221-F324 WeakPolarHBondContact CA-O 2.89Å; H221-S325 PolarHBondContact CE1-OG 3.14Å; H221-S325 WeakPolarHBondContact ND1-CB 3.4Å; H221-S325 PolarHBondContact ND1-OG 3.39Å
222	N	98.3	Very high	98.3	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.444	25%	0.25	S	C	.	.			trans	-81	86.4	166.6	-172.9	-21.2	0	0	0	109.1	S224 L225 L226 F324	N222-S224 PolarHBondContact O-N 3.27Å; N222-S224 PolarHBondContact OD1-N 3.23Å; N222-L225 HydrophobicContact CB-CB 3.95Å; N222-L225 VanDerWaalsContact CG-CB 3.44Å; N222-L225 PolarHBondContact O-N 3.03Å; N222-L225 PolarHBondContact OD1-N 2.8Å; N222-L226 PolarHBondContact O-N 3.43Å; N222-F324 PolarHBondContact N-O 2.96Å
223	M	97.6	Very high	98.3	Very high	59 Å²	59	52.5 Å²	52.5	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-33	-178.1	-59.3	-53.4	-67.6	0	0	112.6	L184 H221 L226 Y227 L284	L184-M223 HydrophobicContact CB-CE 4.23Å; L184-M223 HydrophobicContact CB-SD 4.46Å; H221-M223 HydrophobicContact CB-SD 3.79Å; H221-M223 PolarHBondContact O-N 2.88Å; H221-M223 VanDerWaalsContact O-N 3.12Å; M223-L226 PolarHBondContact O-N 2.9Å; M223-L226 HydrophobicContact SD-CD1 4.03Å; M223-Y227 WeakPolarHBondContact O-CB 3.28Å; M223-Y227 PolarHBondContact O-N 3.34Å; M223-L284 HydrophobicContact CE-CD2 4.24Å
224	S	96.6	Very high	98.3	Very high	64 Å²	64	53.6 Å²	53.6	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-67	-41.5	176.9	-168.3	0	0	0	0	111.9	N222 Y227 K228	N222-S224 PolarHBondContact O-N 3.27Å; N222-S224 PolarHBondContact OD1-N 3.23Å; S224-Y227 PolarHBondContact O-N 3.31Å; S224-K228 WeakPolarHBondContact O-CG 3.22Å; S224-K228 PolarHBondContact O-N 2.96Å; S224-K228 VanDerWaalsContact O-N 3.14Å
225	L	98.3	Very high	98.3	Very high	53 Å²	53	55.6 Å²	55.6	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-46.5	175.2	178.4	62	0	0	0	110.8	N222 Y227 K228 T229 W237 I323 F324	N222-L225 HydrophobicContact CB-CB 3.95Å; N222-L225 VanDerWaalsContact CG-CB 3.44Å; N222-L225 PolarHBondContact O-N 3.03Å; N222-L225 PolarHBondContact OD1-N 2.8Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 3.29Å; L225-K228 PolarHBondContact O-N 3.21Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.07Å; L225-W237 HydrophobicContact CD2-CH2 4.42Å; L225-W237 HydrophobicContact CG-CH2 4.43Å; L225-I323 HydrophobicContact CD2-CG2 4.21Å; L225-F324 HydrophobicContact CD2-CB 3.94Å
226	L	97.9	Very high	98.3	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-41.8	177.4	-77.2	168.4	0	0	0	112.3	H221 N222 M223 K234 F324	H221-L226 HydrophobicContact CB-CD1 4.05Å; N222-L226 PolarHBondContact O-N 3.43Å; M223-L226 PolarHBondContact O-N 2.9Å; M223-L226 HydrophobicContact SD-CD1 4.03Å; L226-K234 HydrophobicContact CD2-CD 4.06Å; L226-F324 HydrophobicContact CD1-CD2 3.82Å; L226-F324 HydrophobicContact CD1-CE2 4.21Å; L226-F324 HydrophobicContact CD2-CB 4.27Å; L226-F324 HydrophobicContact CD2-CD1 4.25Å; L226-F324 HydrophobicContact CD2-CD2 3.68Å; L226-F324 HydrophobicContact CD2-CE2 4Å; L226-F324 HydrophobicContact CD2-CG 3.8Å; L226-F324 HydrophobicContact CD2-CZ 4.4Å; L226-F324 HydrophobicContact CG-CB 4.29Å; L226-F324 HydrophobicContact CG-CD2 3.88Å; L226-F324 HydrophobicContact CG-CG 4.19Å
227	Y	96.2	Very high	98.3	Very high	205 Å²	205	59.8 Å²	59.8	80%	0.804	30%	0.296	S	S	*	.	H	α-helix	trans	-65.1	-39.6	178.1	178	-100.2	0	0	0	112.9	M223 S224 L225	M223-Y227 WeakPolarHBondContact O-CB 3.28Å; M223-Y227 PolarHBondContact O-N 3.34Å; S224-Y227 PolarHBondContact O-N 3.31Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 3.29Å
228	K	98.3	Very high	98.3	Very high	158 Å²	158	60.2 Å²	60.2	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-83	-17.7	-177.6	-69.3	172.6	-179.4	171.3	0	113.9	S224 L225	S224-K228 WeakPolarHBondContact O-CG 3.22Å; S224-K228 PolarHBondContact O-N 2.96Å; S224-K228 VanDerWaalsContact O-N 3.14Å; L225-K228 PolarHBondContact O-N 3.21Å
229	T	98.7	Very high	98.3	Very high	19 Å²	19	58 Å²	58	12%	0.117	29%	0.289	C	S	.	.	S	Bend	trans	-86	129.7	-174.9	-57.5	0	0	0	0	110.4	L225 T233 K234 W237	L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.07Å; T229-T233 HydrophobicContact CG2-CG2 3.91Å; T229-K234 HydrophobicContact CG2-CG 3.79Å; T229-K234 VanDerWaalsContact O-CE 3.27Å; T229-K234 WeakPolarHBondContact O-CE 3.33Å; T229-W237 HydrophobicContact CG2-CH2 3.57Å; T229-W237 HydrophobicContact CG2-CZ2 4.13Å; T229-W237 HydrophobicContact CG2-CZ3 3.86Å
230	A	98.5	Very high	98.3	Very high	64 Å²	64	59.3 Å²	59.3	53%	0.529	29%	0.294	S	S	.	.			trans	-59	144.4	175.8	0	0	0	0	0	111.9	K232 T233 K234	A230-K232 VanDerWaalsContact C-N 3.3Å; A230-K232 PolarHBondContact O-N 3.13Å; A230-T233 PolarHBondContact O-N 3.09Å; A230-K234 PolarHBondContact O-N 3.25Å
231	D	98.4	Very high	98.3	Very high	90 Å²	90	60.2 Å²	60.2	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-54.1	-45.1	-177.4	-74.7	-7.3	0	0	0	112.6	T233 K234 E235 I242	D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.87Å; D231-K234 WeakPolarHBondContact O-CB 3.39Å; D231-K234 PolarHBondContact O-N 3.32Å; D231-K234 WeakPolarHBondContact OD1-CE 3.4Å; D231-K234 IonicContact OD1-NZ 3.15Å; D231-K234 PolarHBondContact OD1-NZ 3.23Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.46Å; D231-E235 PolarHBondContact O-N 2.98Å; D231-I242 HydrophobicContact CB-CD1 3.79Å
232	K	98.3	Very high	98.2	Very high	144 Å²	144	60.9 Å²	60.9	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-51.7	-43.8	176.8	-175.5	-176.7	176.4	-170.9	0	112.8	A230 E235 E236	A230-K232 VanDerWaalsContact C-N 3.3Å; A230-K232 PolarHBondContact O-N 3.13Å; K232-E235 PolarHBondContact O-N 3.42Å; K232-E236 VanDerWaalsContact CE-OE1 3.27Å; K232-E236 WeakPolarHBondContact CE-OE1 3.48Å; K232-E236 WeakPolarHBondContact O-CG 3.19Å; K232-E236 PolarHBondContact O-N 3.39Å
233	T	98.8	Very high	98.1	Very high	50 Å²	50	64.6 Å²	64.6	31%	0.307	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-38.9	-178.9	-54.6	0	0	0	0	111.3	T229 A230 D231 E235 E236 W237	T229-T233 HydrophobicContact CG2-CG2 3.91Å; A230-T233 PolarHBondContact O-N 3.09Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.87Å; T233-E235 VanDerWaalsContact C-N 3.34Å; T233-E236 PolarHBondContact O-N 3.05Å; T233-W237 HydrophobicContact CG2-CD2 4.44Å; T233-W237 HydrophobicContact CG2-CZ2 3.72Å; T233-W237 VanDerWaalsContact O-CG 3.26Å; T233-W237 PolarHBondContact O-N 2.91Å
234	K	98.8	Very high	98	Very high	24 Å²	24	65.8 Å²	65.8	10%	0.104	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-42.5	173.2	-66.7	179.4	-67.2	-172.5	0	111.1	F187 L226 T229 A230 D231 E236 W237 I238 I242	F187-K234 HydrophobicContact CE2-CB 3.97Å; F187-K234 HydrophobicContact CZ-CB 3.92Å; L226-K234 HydrophobicContact CD2-CD 4.06Å; T229-K234 HydrophobicContact CG2-CG 3.79Å; T229-K234 VanDerWaalsContact O-CE 3.27Å; T229-K234 WeakPolarHBondContact O-CE 3.33Å; A230-K234 PolarHBondContact O-N 3.25Å; D231-K234 WeakPolarHBondContact O-CB 3.39Å; D231-K234 PolarHBondContact O-N 3.32Å; D231-K234 WeakPolarHBondContact OD1-CE 3.4Å; D231-K234 IonicContact OD1-NZ 3.15Å; D231-K234 PolarHBondContact OD1-NZ 3.23Å; K234-E236 VanDerWaalsContact C-N 3.31Å; K234-E236 PolarHBondContact O-N 3.2Å; K234-W237 HydrophobicContact CG-CE3 4.33Å; K234-W237 HydrophobicContact CG-CZ3 4.34Å; K234-W237 WeakPolarHBondContact O-CB 3.46Å; K234-W237 PolarHBondContact O-N 3.41Å; K234-W237 VanDerWaalsContact O-N 3.16Å; K234-I238 WeakPolarHBondContact O-CG1 3.47Å; K234-I238 PolarHBondContact O-N 3.45Å; K234-I242 HydrophobicContact CB-CD1 4.28Å
235	E	98.8	Very high	98	Very high	42 Å²	42	63.3 Å²	63.3	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-38	176.1	-69	-178.7	158.1	0	0	111.6	F187 D231 K232 T233 I238 G239 R240 T241 I242 L248	F187-E235 HydrophobicContact CE1-CG 4.16Å; F187-E235 HydrophobicContact CZ-CG 4.22Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.46Å; D231-E235 PolarHBondContact O-N 2.98Å; K232-E235 PolarHBondContact O-N 3.42Å; T233-E235 VanDerWaalsContact C-N 3.34Å; E235-I238 PolarHBondContact O-N 2.85Å; E235-G239 WeakPolarHBondContact O-CA 3.27Å; E235-G239 PolarHBondContact O-N 2.87Å; E235-R240 WeakPolarHBondContact CA-O 3.49Å; E235-R240 VanDerWaalsContact CB-O 3.27Å; E235-R240 WeakPolarHBondContact CB-O 3.32Å; E235-R240 WeakPolarHBondContact CG-O 3.39Å; E235-T241 WeakPolarHBondContact OE1-CA 3.21Å; E235-I242 HydrophobicContact CG-CD1 4.18Å; E235-I242 HydrophobicContact CG-CG1 3.82Å; E235-I242 PolarHBondContact OE1-N 2.82Å; E235-L248 HydrophobicContact CB-CD1 4.38Å; E235-L248 WeakPolarHBondContact O-CD1 3.09Å
236	E	98.7	Very high	98	Very high	72 Å²	72	68.1 Å²	68.1	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-37.1	172.5	-75.4	168.3	178.1	0	0	112.5	K232 T233 K234 I238 P252 S255	K232-E236 VanDerWaalsContact CE-OE1 3.27Å; K232-E236 WeakPolarHBondContact CE-OE1 3.48Å; K232-E236 WeakPolarHBondContact O-CG 3.19Å; K232-E236 PolarHBondContact O-N 3.39Å; T233-E236 PolarHBondContact O-N 3.05Å; K234-E236 VanDerWaalsContact C-N 3.31Å; K234-E236 PolarHBondContact O-N 3.2Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-P252 HydrophobicContact CB-CG 4.08Å; E236-P252 HydrophobicContact CG-CG 4.37Å; E236-S255 WeakPolarHBondContact O-CB 3.43Å
237	W	98.8	Very high	98	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-35.4	174.8	-64.1	-12.9	0	0	0	112.6	L225 T229 T233 K234 S255 H256 Y320 I323 F324	L225-W237 HydrophobicContact CD2-CH2 4.42Å; L225-W237 HydrophobicContact CG-CH2 4.43Å; T229-W237 HydrophobicContact CG2-CH2 3.57Å; T229-W237 HydrophobicContact CG2-CZ2 4.13Å; T229-W237 HydrophobicContact CG2-CZ3 3.86Å; T233-W237 HydrophobicContact CG2-CD2 4.44Å; T233-W237 HydrophobicContact CG2-CZ2 3.72Å; T233-W237 VanDerWaalsContact O-CG 3.26Å; T233-W237 PolarHBondContact O-N 2.91Å; K234-W237 HydrophobicContact CG-CE3 4.33Å; K234-W237 HydrophobicContact CG-CZ3 4.34Å; K234-W237 WeakPolarHBondContact O-CB 3.46Å; K234-W237 PolarHBondContact O-N 3.41Å; K234-W237 VanDerWaalsContact O-N 3.16Å; W237-S255 CarbonylContact O-C 3.55Å; W237-S255 VanDerWaalsContact O-CA 3.29Å; W237-S255 WeakPolarHBondContact O-CA 3.17Å; W237-H256 PolarHBondContact O-N 3.25Å; W237-Y320 AromaticContact CD1-CD2 3.68Å; W237-I323 HydrophobicContact CH2-CG2 4.15Å; W237-I323 HydrophobicContact CZ2-CG2 4.08Å; W237-F324 AromaticContact CE3-CD1 3.64Å; W237-F324 HydrophobicContact CE3-CD1 3.64Å; W237-F324 HydrophobicContact CE3-CE1 4.25Å; W237-F324 HydrophobicContact CZ3-CB 4.28Å; W237-F324 HydrophobicContact CZ3-CD1 4.02Å
238	I	98.7	Very high	98.1	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.062	29%	0.294	C	S	.	.	H	α-helix	trans	-90.6	-37.8	-177.5	-63.1	-58.2	0	0	0	112.3	F187 K234 E235 E236 R240 H256 V257 I321 F324	F187-I238 HydrophobicContact CD1-CB 4.04Å; F187-I238 HydrophobicContact CD1-CG1 4.11Å; F187-I238 HydrophobicContact CD1-CG2 3.72Å; F187-I238 HydrophobicContact CD2-CG1 3.73Å; F187-I238 HydrophobicContact CE1-CB 3.82Å; F187-I238 HydrophobicContact CE1-CG1 3.95Å; F187-I238 HydrophobicContact CE1-CG2 3.99Å; F187-I238 HydrophobicContact CE2-CB 4.36Å; F187-I238 HydrophobicContact CE2-CG1 3.56Å; F187-I238 HydrophobicContact CG-CB 4.38Å; F187-I238 HydrophobicContact CG-CG1 3.99Å; F187-I238 HydrophobicContact CG-CG2 4.07Å; F187-I238 HydrophobicContact CZ-CB 3.97Å; F187-I238 HydrophobicContact CZ-CG1 3.66Å; K234-I238 WeakPolarHBondContact O-CG1 3.47Å; K234-I238 PolarHBondContact O-N 3.45Å; E235-I238 PolarHBondContact O-N 2.85Å; E236-I238 VanDerWaalsContact C-N 3.34Å; I238-R240 HydrophobicContact CG2-CB 4.42Å; I238-R240 HydrophobicContact CG2-CG 4.46Å; I238-H256 HydrophobicContact CD1-CB 4.35Å; I238-H256 PolarHBondContact O-N 2.86Å; I238-V257 VanDerWaalsContact O-CG2 3.31Å; I238-V257 WeakPolarHBondContact O-CG2 3.4Å; I238-V257 PolarHBondContact O-N 2.85Å; I238-I321 HydrophobicContact CD1-CB 4.45Å; I238-I321 HydrophobicContact CD1-CD1 4.03Å; I238-I321 HydrophobicContact CD1-CG1 3.91Å; I238-F324 HydrophobicContact CD1-CE1 4.03Å; I238-F324 HydrophobicContact CD1-CZ 4.06Å
239	G	98.5	Very high	98	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	15.4	-173.9	0	0	0	0	0	114	E235 L248	E235-G239 WeakPolarHBondContact O-CA 3.27Å; E235-G239 PolarHBondContact O-N 2.87Å; G239-L248 PolarHBondContact O-N 3.38Å
240	R	98.5	Very high	97.9	Very high	40 Å²	40	69.5 Å²	69.5	15%	0.151	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-139.2	161.4	175	-51.1	-169.5	85.9	79.2	1.7	111.1	F187 E235 I238 S245 Y246 E247 V257	F187-R240 WeakPolarHBondContact CE1-O 3.23Å; E235-R240 WeakPolarHBondContact CA-O 3.49Å; E235-R240 VanDerWaalsContact CB-O 3.27Å; E235-R240 WeakPolarHBondContact CB-O 3.32Å; E235-R240 WeakPolarHBondContact CG-O 3.39Å; I238-R240 HydrophobicContact CG2-CB 4.42Å; I238-R240 HydrophobicContact CG2-CG 4.46Å; R240-S245 VanDerWaalsContact CZ-O 3.3Å; R240-S245 PolarHBondContact NE-O 3.42Å; R240-S245 PolarHBondContact NE-OG 3.02Å; R240-S245 PolarHBondContact NH2-O 2.78Å; R240-Y246 CarbonylContact C-O 3.39Å; R240-Y246 WeakPolarHBondContact CA-O 3.41Å; R240-Y246 WeakPolarHBondContact CB-O 3.28Å; R240-E247 IonicContact NH1-OE2 3.26Å; R240-E247 PolarHBondContact NH1-OE2 3.1Å; R240-V257 HydrophobicContact CG-CG2 3.63Å
241	T	98.3	Very high	97.8	Very high	32 Å²	32	66.9 Å²	66.9	20%	0.196	31%	0.306	C	S	.	.			trans	-73.3	144.3	170	63.6	0	0	0	0	111	E235 S245 Y246 L248	E235-T241 WeakPolarHBondContact OE1-CA 3.21Å; T241-S245 VanDerWaalsContact O-CA 3.25Å; T241-S245 WeakPolarHBondContact O-CA 3.38Å; T241-S245 PolarHBondContact O-N 2.82Å; T241-S245 VanDerWaalsContact O-N 3.14Å; T241-S245 PolarHBondContact OG1-N 2.93Å; T241-Y246 PolarHBondContact N-O 2.85Å; T241-Y246 PolarHBondContact OG1-N 2.92Å; T241-L248 HydrophobicContact CG2-CD2 3.84Å
242	I	97.6	Very high	97.8	Very high	28 Å²	28	64.5 Å²	64.5	14%	0.144	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-55	179.8	-72.1	168	0	0	0	109.3	R182 F187 D231 K234 E235 D244	R182-I242 PolarHBondContact NH1-O 2.7Å; F187-I242 HydrophobicContact CD1-CG1 4.05Å; F187-I242 HydrophobicContact CD2-CG1 4.38Å; F187-I242 HydrophobicContact CE1-CB 4.27Å; F187-I242 HydrophobicContact CE1-CD1 4.44Å; F187-I242 HydrophobicContact CE1-CG1 3.34Å; F187-I242 HydrophobicContact CE2-CD1 4.18Å; F187-I242 HydrophobicContact CE2-CG1 3.73Å; F187-I242 HydrophobicContact CZ-CB 4.47Å; F187-I242 HydrophobicContact CZ-CD1 3.82Å; F187-I242 HydrophobicContact CZ-CG1 3.17Å; D231-I242 HydrophobicContact CB-CD1 3.79Å; K234-I242 HydrophobicContact CB-CD1 4.28Å; E235-I242 HydrophobicContact CG-CD1 4.18Å; E235-I242 HydrophobicContact CG-CG1 3.82Å; E235-I242 PolarHBondContact OE1-N 2.82Å; I242-D244 PolarHBondContact O-N 2.73Å
243	K	96.2	Very high	97.8	Very high	160 Å²	160	60.2 Å²	60.2	70%	0.696	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-54.6	-169.6	-172.4	-175.7	175.2	-175.7	0	112.5	R182	R182-K243 PolarHBondContact NH2-O 3.22Å
244	D	95.7	Very high	97.8	Very high	85 Å²	85	58.5 Å²	58.5	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-0.2	-167.1	-54.4	-59.9	0	0	0	113.5	I242 Y246	I242-D244 PolarHBondContact O-N 2.73Å; D244-Y246 HydrophobicContact CB-CD2 3.52Å; D244-Y246 HydrophobicContact CB-CE1 4.48Å; D244-Y246 HydrophobicContact CB-CE2 3.3Å; D244-Y246 HydrophobicContact CB-CG 4.19Å; D244-Y246 PolarHBondContact O-N 3.37Å
245	S	96.9	Very high	97.8	Very high	11 Å²	11	57.3 Å²	57.3	8%	0.077	26%	0.264	C	S	.	.			trans	55	32.7	-176.5	-161.7	0	0	0	0	114.1	T191 R240 T241	T191-S245 PolarHBondContact OG1-OG 2.8Å; R240-S245 VanDerWaalsContact CZ-O 3.3Å; R240-S245 PolarHBondContact NE-O 3.42Å; R240-S245 PolarHBondContact NE-OG 3.02Å; R240-S245 PolarHBondContact NH2-O 2.78Å; T241-S245 VanDerWaalsContact O-CA 3.25Å; T241-S245 WeakPolarHBondContact O-CA 3.38Å; T241-S245 PolarHBondContact O-N 2.82Å; T241-S245 VanDerWaalsContact O-N 3.14Å; T241-S245 PolarHBondContact OG1-N 2.93Å
246	Y	97.4	Very high	97.8	Very high	154 Å²	154	56.6 Å²	56.6	60%	0.604	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-75.7	135.9	172.5	-64.8	-46	0	0	0	110.2	R240 T241 D244	R240-Y246 CarbonylContact C-O 3.39Å; R240-Y246 WeakPolarHBondContact CA-O 3.41Å; R240-Y246 WeakPolarHBondContact CB-O 3.28Å; T241-Y246 PolarHBondContact N-O 2.85Å; T241-Y246 PolarHBondContact OG1-N 2.92Å; D244-Y246 HydrophobicContact CB-CD2 3.52Å; D244-Y246 HydrophobicContact CB-CE1 4.48Å; D244-Y246 HydrophobicContact CB-CE2 3.3Å; D244-Y246 HydrophobicContact CB-CG 4.19Å; D244-Y246 PolarHBondContact O-N 3.37Å
247	E	98	Very high	97.8	Very high	26 Å²	26	54 Å²	54	12%	0.121	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-64.5	138.6	174.1	-168.3	165	134.9	0	0	110.4	R240 I249 K251 V257 F266 E267	R240-E247 IonicContact NH1-OE2 3.26Å; R240-E247 PolarHBondContact NH1-OE2 3.1Å; E247-I249 PolarHBondContact O-N 3Å; E247-K251 HydrophobicContact CG-CD 4.28Å; E247-K251 WeakPolarHBondContact OE1-CE 3.46Å; E247-K251 IonicContact OE1-NZ 2.75Å; E247-K251 PolarHBondContact OE1-NZ 3.38Å; E247-V257 HydrophobicContact CG-CG1 4.32Å; E247-F266 HydrophobicContact CB-CD2 4.17Å; E247-F266 HydrophobicContact CB-CE2 3.88Å; E247-F266 HydrophobicContact CG-CD2 4.22Å; E247-F266 HydrophobicContact CG-CE2 4.43Å; E247-F266 WeakPolarHBondContact O-CE2 3.44Å; E247-E267 PolarHBondContact OE1-N 3.09Å
248	L	98.3	Very high	97.7	Very high	33 Å²	33	52.7 Å²	52.7	17%	0.173	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-73.1	130.2	177.1	-58.6	178.7	0	0	0	110	E235 G239 T241 R250 K251	E235-L248 HydrophobicContact CB-CD1 4.38Å; E235-L248 WeakPolarHBondContact O-CD1 3.09Å; G239-L248 PolarHBondContact O-N 3.38Å; T241-L248 HydrophobicContact CG2-CD2 3.84Å; L248-R250 PolarHBondContact O-N 2.75Å; L248-K251 HydrophobicContact CB-CB 4.04Å; L248-K251 PolarHBondContact O-N 3.02Å
249	I	97.4	Very high	97.7	Very high	134 Å²	134	52.2 Å²	52.2	69%	0.687	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-36	175.1	-62.1	171.3	0	0	0	111	E247 F266	E247-I249 PolarHBondContact O-N 3Å; I249-F266 HydrophobicContact CG1-CD2 4.27Å; I249-F266 HydrophobicContact CG1-CE2 4.35Å
250	R	95.6	Very high	97.7	Very high	230 Å²	230	53.6 Å²	53.6	87%	0.868	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	60.3	177.8	-63.7	-176.7	63.8	153.4	1.3	110.7	L248	L248-R250 PolarHBondContact O-N 2.75Å
251	K	97.3	Very high	97.6	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.035	25%	0.246	C	C	.	.			trans	-67.6	139.5	174.3	59.4	-176.8	179.3	-69.7	0	111.1	E247 L248 V257 A258 S263 E264 E265	E247-K251 HydrophobicContact CG-CD 4.28Å; E247-K251 WeakPolarHBondContact OE1-CE 3.46Å; E247-K251 IonicContact OE1-NZ 2.75Å; E247-K251 PolarHBondContact OE1-NZ 3.38Å; L248-K251 HydrophobicContact CB-CB 4.04Å; L248-K251 PolarHBondContact O-N 3.02Å; K251-V257 HydrophobicContact CD-CB 4.17Å; K251-V257 HydrophobicContact CD-CG1 3.86Å; K251-A258 HydrophobicContact CD-CB 4.2Å; K251-A258 HydrophobicContact CG-CB 4.45Å; K251-S263 VanDerWaalsContact CE-O 3.28Å; K251-S263 WeakPolarHBondContact CE-O 3.37Å; K251-E264 WeakPolarHBondContact CE-O 3.29Å; K251-E264 WeakPolarHBondContact CG-O 3.19Å; K251-E264 VanDerWaalsContact NZ-C 3.33Å; K251-E264 PolarHBondContact NZ-O 2.84Å; K251-E265 PolarHBondContact NZ-O 2.98Å
252	P	98.3	Very high	97.5	Very high	40 Å²	40	52.5 Å²	52.5	26%	0.26	25%	0.253	S	S	.	.			trans	-60.2	148.9	170	-23.7	33.7	0	0	0	111.8	E236 T254 S255 A258	E236-P252 HydrophobicContact CB-CG 4.08Å; E236-P252 HydrophobicContact CG-CG 4.37Å; P252-T254 PolarHBondContact O-N 3.39Å; P252-S255 WeakPolarHBondContact O-CB 3.44Å; P252-S255 PolarHBondContact O-N 2.96Å; P252-S255 PolarHBondContact O-OG 2.91Å; P252-A258 WeakPolarHBondContact O-CB 3.37Å
253	D	97.5	Very high	97.5	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14	174.7	56.7	18.4	0	0	0	114.1	R259 E264 K317	D253-R259 WeakPolarHBondContact O-CD 3.34Å; D253-R259 PolarHBondContact O-NH1 2.89Å; D253-E264 HydrophobicContact CB-CB 4.48Å; D253-K317 HydrophobicContact CB-CD 4.41Å; D253-K317 WeakPolarHBondContact OD2-CE 3.18Å; D253-K317 IonicContact OD2-NZ 3.88Å; D253-K317 PolarHBondContact OD2-NZ 2.96Å
254	T	98.6	Very high	97.4	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.08	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.3	170.5	53.3	0	0	0	0	113.4	P252 K317 Y320	P252-T254 PolarHBondContact O-N 3.39Å; T254-K317 HydrophobicContact CG2-CB 4.23Å; T254-K317 HydrophobicContact CG2-CG 4.43Å; T254-Y320 HydrophobicContact CG2-CD1 4.17Å; T254-Y320 HydrophobicContact CG2-CE1 3.68Å; T254-Y320 HydrophobicContact CG2-CE2 4.37Å; T254-Y320 PolarHBondContact O-N 2.99Å; T254-Y320 VanDerWaalsContact OG1-CD2 3.22Å; T254-Y320 WeakPolarHBondContact OG1-CD2 3.28Å; T254-Y320 WeakPolarHBondContact OG1-CE2 3.35Å
255	S	98.7	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-67	146.4	177.2	71	0	0	0	0	111.6	E236 W237 P252 V257 A258 R259	E236-S255 WeakPolarHBondContact O-CB 3.43Å; W237-S255 CarbonylContact O-C 3.55Å; W237-S255 VanDerWaalsContact O-CA 3.29Å; W237-S255 WeakPolarHBondContact O-CA 3.17Å; P252-S255 WeakPolarHBondContact O-CB 3.44Å; P252-S255 PolarHBondContact O-N 2.96Å; P252-S255 PolarHBondContact O-OG 2.91Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact O-N 3.14Å; S255-A258 PolarHBondContact O-N 3.32Å; S255-A258 WeakPolarHBondContact OG-CB 3.26Å; S255-A258 PolarHBondContact OG-N 2.87Å; S255-R259 WeakPolarHBondContact O-CG 3.33Å; S255-R259 PolarHBondContact O-N 3.12Å
256	H	98.6	Very high	97.5	Very high	27 Å²	27	56.1 Å²	56.1	13%	0.125	27%	0.27	C	S	.	.	H	α-helix	trans	-52.3	-47.4	-177.9	-174.1	54.5	0	0	0	112.7	W237 I238 A258 R259 M260 D319 I321	W237-H256 PolarHBondContact O-N 3.25Å; I238-H256 HydrophobicContact CD1-CB 4.35Å; I238-H256 PolarHBondContact O-N 2.86Å; H256-A258 PolarHBondContact O-N 3.15Å; H256-R259 PolarHBondContact O-N 2.95Å; H256-M260 VanDerWaalsContact CE1-CG 3.47Å; H256-M260 WeakPolarHBondContact CE1-CG 3.43Å; H256-M260 VanDerWaalsContact O-CG 3.28Å; H256-M260 WeakPolarHBondContact O-CG 3.32Å; H256-M260 PolarHBondContact O-N 3.19Å; H256-D319 WeakPolarHBondContact CA-OD1 3.31Å; H256-D319 IonicContact CE1-OD2 2.79Å; H256-D319 IonicContact CG-OD2 2.69Å; H256-D319 IonicContact ND1-OD1 2.58Å; H256-D319 IonicContact ND1-OD2 2.71Å; H256-D319 PolarHBondContact ND1-OD2 3.16Å; H256-I321 HydrophobicContact CB-CB 4.21Å; H256-I321 HydrophobicContact CB-CD1 4.43Å
257	V	98.5	Very high	97.3	Very high	17 Å²	17	55.7 Å²	55.7	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-46.5	176.6	172	0	0	0	0	111.6	I238 R240 E247 K251 S255 R259 M260 V261	I238-V257 VanDerWaalsContact O-CG2 3.31Å; I238-V257 WeakPolarHBondContact O-CG2 3.4Å; I238-V257 PolarHBondContact O-N 2.85Å; R240-V257 HydrophobicContact CG-CG2 3.63Å; E247-V257 HydrophobicContact CG-CG1 4.32Å; K251-V257 HydrophobicContact CD-CB 4.17Å; K251-V257 HydrophobicContact CD-CG1 3.86Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact O-N 3.14Å; V257-R259 VanDerWaalsContact C-N 3.29Å; V257-R259 PolarHBondContact O-N 3.5Å; V257-M260 PolarHBondContact O-N 3.35Å; V257-V261 HydrophobicContact CG1-CG2 4.07Å; V257-V261 WeakPolarHBondContact O-CB 3.35Å; V257-V261 VanDerWaalsContact O-CG2 3.28Å; V257-V261 WeakPolarHBondContact O-CG2 3.36Å; V257-V261 PolarHBondContact O-N 2.92Å
258	A	98.2	Very high	97.2	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-36.3	179.2	0	0	0	0	0	112.1	K251 P252 S255 H256 G262 S263	K251-A258 HydrophobicContact CD-CB 4.2Å; K251-A258 HydrophobicContact CG-CB 4.45Å; P252-A258 WeakPolarHBondContact O-CB 3.37Å; S255-A258 PolarHBondContact O-N 3.32Å; S255-A258 WeakPolarHBondContact OG-CB 3.26Å; S255-A258 PolarHBondContact OG-N 2.87Å; H256-A258 PolarHBondContact O-N 3.15Å; A258-G262 WeakPolarHBondContact O-CA 3.11Å; A258-G262 PolarHBondContact O-N 3.06Å; A258-S263 WeakPolarHBondContact CA-O 3.25Å; A258-S263 PolarHBondContact O-N 3.15Å
259	R	98.1	Very high	97	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-44.6	175	-56.5	-43.3	-69.3	164.5	-0.8	111.9	D253 S255 H256 V257 R308 S313 D315 K317 D319	D253-R259 WeakPolarHBondContact O-CD 3.34Å; D253-R259 PolarHBondContact O-NH1 2.89Å; S255-R259 WeakPolarHBondContact O-CG 3.33Å; S255-R259 PolarHBondContact O-N 3.12Å; H256-R259 PolarHBondContact O-N 2.95Å; V257-R259 VanDerWaalsContact C-N 3.29Å; V257-R259 PolarHBondContact O-N 3.5Å; R259-R308 HydrophobicContact CB-CB 4.31Å; R259-R308 PolarHBondContact NE-O 2.98Å; R259-R308 VanDerWaalsContact NH1-NH2 3.18Å; R259-R308 PolarHBondContact NH2-O 2.9Å; R259-R308 VanDerWaalsContact NH2-O 3.09Å; R259-R308 WeakPolarHBondContact O-CD 3.26Å; R259-S313 PolarHBondContact NH2-OG 3.1Å; R259-D315 IonicContact CZ-OD1 3.97Å; R259-D315 IonicContact CZ-OD2 2.75Å; R259-D315 IonicContact NH1-OD1 3.6Å; R259-D315 IonicContact NH1-OD2 2.7Å; R259-D315 PolarHBondContact NH1-OD2 2.99Å; R259-D315 IonicContact NH2-OD1 2.71Å; R259-D315 PolarHBondContact NH2-OD1 3.16Å; R259-D315 IonicContact NH2-OD2 2.8Å; R259-D315 PolarHBondContact NH2-OD2 3.19Å; R259-K317 PolarHBondContact NH2-O 3.47Å; R259-D319 HydrophobicContact CB-CB 4.36Å; R259-D319 HydrophobicContact CG-CB 3.73Å
260	M	98.2	Very high	96.9	Very high	30 Å²	30	60 Å²	60	15%	0.148	29%	0.289	C	S	.	.	H	α-helix	trans	-72.2	-36	-177.9	-63.3	-56.1	97.1	0	0	112.8	H256 V257 M305 M309	H256-M260 VanDerWaalsContact CE1-CG 3.47Å; H256-M260 WeakPolarHBondContact CE1-CG 3.43Å; H256-M260 VanDerWaalsContact O-CG 3.28Å; H256-M260 WeakPolarHBondContact O-CG 3.32Å; H256-M260 PolarHBondContact O-N 3.19Å; V257-M260 PolarHBondContact O-N 3.35Å; M260-M305 HydrophobicContact CE-CB 3.9Å; M260-M305 HydrophobicContact CE-CG 4.42Å; M260-M305 HydrophobicContact SD-CB 3.66Å; M260-M305 HydrophobicContact SD-CG 3.78Å; M260-M305 HydrophobicContact SD-SD 3.9Å; M260-M309 HydrophobicContact CE-CG 3.52Å; M260-M309 HydrophobicContact CE-SD 4.03Å
261	V	97.5	Very high	96.9	Very high	15 Å²	15	55.5 Å²	55.5	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-78.2	-38.6	177.9	173.6	0	0	0	0	111.3	V257 A268 K270	V257-V261 HydrophobicContact CG1-CG2 4.07Å; V257-V261 WeakPolarHBondContact O-CB 3.35Å; V257-V261 VanDerWaalsContact O-CG2 3.28Å; V257-V261 WeakPolarHBondContact O-CG2 3.36Å; V257-V261 PolarHBondContact O-N 2.92Å; V261-A268 HydrophobicContact CG1-CB 3.87Å; V261-K270 HydrophobicContact CG2-CG 4.11Å
262	G	96	Very high	96.9	Very high	33 Å²	33	58 Å²	58	34%	0.34	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	15	-171.2	0	0	0	0	0	114.4	A258	A258-G262 WeakPolarHBondContact O-CA 3.11Å; A258-G262 PolarHBondContact O-N 3.06Å
263	S	96.3	Very high	96.9	Very high	23 Å²	23	59.7 Å²	59.7	16%	0.161	29%	0.29	C	S	.	.			trans	-154.9	143.7	179.7	177.4	0	0	0	0	110.9	K251 A258 E265	K251-S263 VanDerWaalsContact CE-O 3.28Å; K251-S263 WeakPolarHBondContact CE-O 3.37Å; A258-S263 WeakPolarHBondContact CA-O 3.25Å; A258-S263 PolarHBondContact O-N 3.15Å; S263-E265 WeakPolarHBondContact OG-CB 3.36Å; S263-E265 PolarHBondContact OG-N 3.38Å
264	E	94.6	Very high	96.9	Very high	108 Å²	108	57.8 Å²	57.8	51%	0.505	28%	0.279	S	S	.	.			trans	-80.9	-16.5	169.7	70.9	-81.5	-164.3	0	0	113	K251 D253 F266	K251-E264 WeakPolarHBondContact CE-O 3.29Å; K251-E264 WeakPolarHBondContact CG-O 3.19Å; K251-E264 VanDerWaalsContact NZ-C 3.33Å; K251-E264 PolarHBondContact NZ-O 2.84Å; D253-E264 HydrophobicContact CB-CB 4.48Å; E264-F266 PolarHBondContact O-N 2.82Å
265	E	96.8	Very high	96.9	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	28%	0.276	S	S	*	.	S	Bend	trans	-60.9	135	-180	-64.9	176.8	164.9	0	0	111.1	K251 S263 E267 A268	K251-E265 PolarHBondContact NZ-O 2.98Å; S263-E265 WeakPolarHBondContact OG-CB 3.36Å; S263-E265 PolarHBondContact OG-N 3.38Å; E265-E267 PolarHBondContact O-N 3.28Å; E265-A268 HydrophobicContact CB-CB 4.1Å; E265-A268 WeakPolarHBondContact O-CB 3.18Å; E265-A268 PolarHBondContact O-N 3.32Å
266	F	96.9	Very high	96.9	Very high	95 Å²	95	59 Å²	59	42%	0.417	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	128.6	-179.5	179	-105.8	0	0	0	111.4	E247 I249 E264 A268	E247-F266 HydrophobicContact CB-CD2 4.17Å; E247-F266 HydrophobicContact CB-CE2 3.88Å; E247-F266 HydrophobicContact CG-CD2 4.22Å; E247-F266 HydrophobicContact CG-CE2 4.43Å; E247-F266 WeakPolarHBondContact O-CE2 3.44Å; I249-F266 HydrophobicContact CG1-CD2 4.27Å; I249-F266 HydrophobicContact CG1-CE2 4.35Å; E264-F266 PolarHBondContact O-N 2.82Å; F266-A268 PolarHBondContact O-N 2.89Å; F266-A268 VanDerWaalsContact O-N 3.17Å
267	E	93.5	Very high	96.8	Very high	144 Å²	144	57.9 Å²	57.9	67%	0.673	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.4	-179.7	-65	-171.2	162.9	0	0	114.2	E247 E265	E247-E267 PolarHBondContact OE1-N 3.09Å; E265-E267 PolarHBondContact O-N 3.28Å
268	A	96	Very high	96.8	Very high	21 Å²	21	57.5 Å²	57.5	17%	0.174	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-58.1	146.9	175	0	0	0	0	0	112.3	V261 E265 F266 K270	V261-A268 HydrophobicContact CG1-CB 3.87Å; E265-A268 HydrophobicContact CB-CB 4.1Å; E265-A268 WeakPolarHBondContact O-CB 3.18Å; E265-A268 PolarHBondContact O-N 3.32Å; F266-A268 PolarHBondContact O-N 2.89Å; F266-A268 VanDerWaalsContact O-N 3.17Å; A268-K270 PolarHBondContact O-N 3.34Å
269	K	95.4	Very high	96.8	Very high	198 Å²	198	57.6 Å²	57.6	86%	0.861	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-64.7	125.7	176.6	-174.2	178	-179.9	178.7	0	110.4	K271	K269-K271 PolarHBondContact O-N 2.72Å
270	K	94.9	Very high	96.8	Very high	66 Å²	66	57.8 Å²	57.8	29%	0.287	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-59.2	127	172.5	-72.3	173.7	-91.1	161.2	0	110.6	A192 V261 A268 E273	A192-K270 HydrophobicContact CB-CD 4.47Å; A192-K270 PolarHBondContact O-NZ 3.07Å; V261-K270 HydrophobicContact CG2-CG 4.11Å; A268-K270 PolarHBondContact O-N 3.34Å; K270-E273 HydrophobicContact CB-CG 3.99Å; K270-E273 HydrophobicContact CD-CG 4.22Å; K270-E273 WeakPolarHBondContact CE-OE1 3.42Å; K270-E273 IonicContact NZ-OE1 2.84Å; K270-E273 PolarHBondContact NZ-OE1 2.92Å
271	K	94.7	Very high	96.9	Very high	134 Å²	134	56.8 Å²	56.8	58%	0.583	27%	0.272	S	S	*	.	S	Bend	trans	-69.2	-39.9	174.2	-172.3	179.4	-178.9	175.8	0	112.1	K269 F304	K269-K271 PolarHBondContact O-N 2.72Å; K271-F304 HydrophobicContact CB-CE1 4.39Å; K271-F304 HydrophobicContact CB-CZ 4.18Å; K271-F304 HydrophobicContact CD-CD2 4.16Å; K271-F304 HydrophobicContact CD-CE2 3.66Å; K271-F304 HydrophobicContact CD-CZ 3.99Å
272	Y	97.7	Very high	96.8	Very high	61 Å²	61	57.4 Å²	57.4	24%	0.239	28%	0.281	C	S	.	.	S	Bend	trans	-135	149.2	174.3	-62.7	-73.9	0	0	0	109.7	K300 N301 F304 M305	Y272-K300 HydrophobicContact CD1-CG 4.46Å; Y272-K300 HydrophobicContact CE1-CD 4.02Å; Y272-K300 HydrophobicContact CE1-CG 4.06Å; Y272-N301 HydrophobicContact CG-CB 4.47Å; Y272-F304 HydrophobicContact CD2-CB 3.5Å; Y272-F304 AromaticContact CD2-CD1 3.62Å; Y272-F304 HydrophobicContact CD2-CD1 3.62Å; Y272-F304 AromaticContact CD2-CD2 4Å; Y272-F304 HydrophobicContact CD2-CD2 4Å; Y272-F304 HydrophobicContact CD2-CE1 4.32Å; Y272-F304 AromaticContact CD2-CG 3.41Å; Y272-F304 HydrophobicContact CD2-CG 3.41Å; Y272-F304 VanDerWaalsContact CD2-CG 3.41Å; Y272-F304 HydrophobicContact CE2-CB 3.7Å; Y272-F304 HydrophobicContact CE2-CD1 4.36Å; Y272-F304 AromaticContact CE2-CD2 3.91Å; Y272-F304 HydrophobicContact CE2-CD2 3.91Å; Y272-F304 AromaticContact CE2-CG 3.73Å; Y272-F304 HydrophobicContact CE2-CG 3.73Å; Y272-M305 WeakPolarHBondContact O-CE 3.28Å
273	E	97.9	Very high	96.9	Very high	75 Å²	75	59.7 Å²	59.7	35%	0.35	29%	0.288	S	S	.	.			trans	-121	153	179.8	-59.4	-166	84.1	0	0	110.5	V203 K270 N301	V203-E273 VanDerWaalsContact CG1-C 3.45Å; V203-E273 HydrophobicContact CG1-CB 3.81Å; V203-E273 WeakPolarHBondContact CG1-O 3.37Å; V203-E273 HydrophobicContact CG2-CB 3.8Å; K270-E273 HydrophobicContact CB-CG 3.99Å; K270-E273 HydrophobicContact CD-CG 4.22Å; K270-E273 WeakPolarHBondContact CE-OE1 3.42Å; K270-E273 IonicContact NZ-OE1 2.84Å; K270-E273 PolarHBondContact NZ-OE1 2.92Å; E273-N301 PolarHBondContact O-ND2 3.4Å
274	I	98.4	Very high	96.6	Very high	16 Å²	16	65.8 Å²	65.8	8%	0.082	32%	0.319	C	S	.	.			trans	-141.7	154.4	177.5	59.6	172.1	0	0	0	108.1	R276 F292 A294 A296 N301 F302 M305	I274-R276 HydrophobicContact CD1-CG 3.68Å; I274-R276 HydrophobicContact CG1-CG 3.94Å; I274-F292 HydrophobicContact CD1-CZ 4.01Å; I274-A294 HydrophobicContact CB-CB 4.17Å; I274-A294 HydrophobicContact CD1-CB 3.73Å; I274-A294 HydrophobicContact CG1-CB 4.31Å; I274-A296 HydrophobicContact CG2-CB 4.16Å; I274-N301 HydrophobicContact CG2-CB 4.02Å; I274-F302 HydrophobicContact CB-CE1 4.23Å; I274-F302 HydrophobicContact CG2-CD1 3.8Å; I274-F302 HydrophobicContact CG2-CE1 3.6Å; I274-M305 HydrophobicContact CD1-CE 4.27Å; I274-M305 HydrophobicContact CD1-SD 3.62Å; I274-M305 HydrophobicContact CG1-CE 4.12Å; I274-M305 HydrophobicContact CG1-SD 4.14Å; I274-M305 HydrophobicContact CG2-CE 3.99Å; I274-M305 HydrophobicContact CG2-SD 4.17Å
275	V	98.5	Very high	96.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	104.1	170.2	-179.1	0	0	0	0	107.9	P194 R200 V203 A204 Q277 A294 Y295	P194-V275 HydrophobicContact CG-CG2 4.15Å; R200-V275 HydrophobicContact CB-CG2 4.12Å; R200-V275 HydrophobicContact CG-CG1 4.37Å; R200-V275 HydrophobicContact CG-CG2 4.1Å; V203-V275 HydrophobicContact CB-CG2 4.19Å; V203-V275 HydrophobicContact CG1-CG2 4.01Å; A204-V275 HydrophobicContact CB-CG2 3.97Å; V275-Q277 HydrophobicContact CG1-CG 4.26Å; V275-A294 CarbonylContact O-C 3.55Å; V275-A294 VanDerWaalsContact O-CA 3.22Å; V275-A294 WeakPolarHBondContact O-CA 3.37Å; V275-Y295 PolarHBondContact N-O 2.91Å; V275-Y295 PolarHBondContact O-N 3.29Å
276	R	98	Very high	96.5	Very high	38 Å²	38	62.3 Å²	62.3	14%	0.143	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.5	178.8	-60.8	-179.3	-70.3	174.8	1.4	110.8	D189 G190 N193 I274 F292 A294	D189-R276 IonicContact OD1-CZ 3.03Å; D189-R276 IonicContact OD1-NE 2.83Å; D189-R276 PolarHBondContact OD1-NE 3.11Å; D189-R276 IonicContact OD1-NH1 3.56Å; D189-R276 PolarHBondContact OD1-NH1 3Å; D189-R276 IonicContact OD1-NH2 3.47Å; G190-R276 VanDerWaalsContact CA-NH2 3.31Å; G190-R276 VanDerWaalsContact N-NH2 3.17Å; N193-R276 PolarHBondContact ND2-O 3.48Å; N193-R276 WeakPolarHBondContact OD1-CB 3.39Å; N193-R276 PolarHBondContact OD1-N 2.97Å; I274-R276 HydrophobicContact CD1-CG 3.68Å; I274-R276 HydrophobicContact CG1-CG 3.94Å; R276-F292 HydrophobicContact CG-CE2 4.08Å; R276-F292 HydrophobicContact CG-CZ 4.26Å; R276-A294 HydrophobicContact CG-CB 4.23Å
277	Q	97.3	Very high	96.6	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.014	33%	0.333	C	S	.	.			trans	-141.9	32.7	178.6	-61.4	-177.8	-4.9	0	0	111.2	S44 V45 S47 I49 Y55 H142 V275 I293	S44-Q277 PolarHBondContact O-NE2 2.85Å; S44-Q277 VanDerWaalsContact O-NE2 3.17Å; S44-Q277 PolarHBondContact O-OE1 2.74Å; V45-Q277 PolarHBondContact O-NE2 3.05Å; S47-Q277 PolarHBondContact O-NE2 3.21Å; I49-Q277 HydrophobicContact CG2-CB 4.02Å; I49-Q277 HydrophobicContact CG2-CG 4.41Å; Y55-Q277 PolarHBondContact OH-O 2.7Å; H142-Q277 PolarHBondContact CE1-OE1 3.22Å; H142-Q277 VanDerWaalsContact CE1-OE1 3.31Å; V275-Q277 HydrophobicContact CG1-CG 4.26Å; Q277-I293 VanDerWaalsContact C-CG2 3.43Å; Q277-I293 HydrophobicContact CB-CG2 3.97Å; Q277-I293 PolarHBondContact N-O 3.37Å; Q277-I293 WeakPolarHBondContact O-CG2 3.45Å
278	S	98	Very high	96.8	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	30%	0.302	C	S	.	.			trans	-64	153	177.2	-32.8	0	0	0	0	111.2	D189 L291 F292	D189-S278 WeakPolarHBondContact OD2-CB 3.45Å; D189-S278 PolarHBondContact OD2-OG 2.79Å; S278-L291 WeakPolarHBondContact CA-O 3.45Å; S278-L291 VanDerWaalsContact CB-O 3.28Å; S278-L291 WeakPolarHBondContact CB-O 3.26Å; S278-F292 VanDerWaalsContact OG-CD2 3.26Å; S278-F292 WeakPolarHBondContact OG-CD2 3.43Å
279	Q	98.7	Very high	96.9	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.9	167	-68.4	-169.5	-59.7	0	0	110.9	K50 Y55 L291	K50-Q279 PolarHBondContact O-NE2 2.89Å; Y55-Q279 PolarHBondContact OH-N 3.25Å; Q279-L291 PolarHBondContact N-O 2.71Å; Q279-L291 PolarHBondContact O-N 2.85Å
280	P	98.6	Very high	97.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	145.8	165	-35.4	39	0	0	0	113.9	G175 W176 R182 L184 G289	G175-P280 WeakPolarHBondContact CA-O 3.32Å; W176-P280 HydrophobicContact CD2-CB 4.36Å; W176-P280 HydrophobicContact CZ2-CB 3.99Å; W176-P280 PolarHBondContact N-O 3.27Å; W176-P280 VanDerWaalsContact N-O 3.16Å; W176-P280 WeakPolarHBondContact O-CD 3.3Å; R182-P280 VanDerWaalsContact O-CG 3.25Å; R182-P280 WeakPolarHBondContact O-CG 3.24Å; L184-P280 HydrophobicContact CD1-CB 4.25Å; L184-P280 HydrophobicContact CD2-CB 3.84Å; L184-P280 HydrophobicContact CD2-CG 4.14Å; L184-P280 HydrophobicContact CG-CB 3.78Å; L184-P280 HydrophobicContact CG-CG 4.16Å; P280-G289 CarbonylContact C-O 3.54Å; P280-G289 VanDerWaalsContact CA-O 3.26Å; P280-G289 WeakPolarHBondContact CA-O 3.4Å
281	Y	98.6	Very high	97.3	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.039	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	168.5	168.2	78.9	-79.3	0	0	0	111.2	I173 W176 K218 W219 V220 A288 G289 L291	I173-Y281 HydrophobicContact CG2-CD2 4.03Å; I173-Y281 HydrophobicContact CG2-CG 3.79Å; W176-Y281 VanDerWaalsContact CZ3-C 3.45Å; K218-Y281 HydrophobicContact CD-CE2 4.3Å; K218-Y281 WeakPolarHBondContact CE-OH 3.41Å; K218-Y281 HydrophobicContact CG-CE1 3.84Å; K218-Y281 HydrophobicContact CG-CE2 4.27Å; K218-Y281 VanDerWaalsContact CG-OH 3.23Å; K218-Y281 WeakPolarHBondContact CG-OH 3.25Å; W219-Y281 VanDerWaalsContact O-CE1 3.27Å; W219-Y281 WeakPolarHBondContact O-CE1 3.29Å; W219-Y281 PolarHBondContact O-OH 3.25Å; V220-Y281 WeakPolarHBondContact CG2-OH 3.32Å; Y281-A288 VanDerWaalsContact O-CA 3.32Å; Y281-A288 WeakPolarHBondContact O-CA 3.5Å; Y281-G289 WeakPolarHBondContact CD1-O 3.33Å; Y281-G289 PolarHBondContact N-O 2.87Å; Y281-G289 PolarHBondContact O-N 3.41Å; Y281-G289 VanDerWaalsContact O-N 3.1Å; Y281-L291 HydrophobicContact CD1-CB 4Å
282	G	97.4	Very high	97.5	Very high	28 Å²	28	38.1 Å²	38.1	29%	0.289	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	99.6	-159.2	167.2	0	0	0	0	0	114.8	W176 D287	W176-G282 VanDerWaalsContact CH2-O 3.3Å; W176-G282 WeakPolarHBondContact CH2-O 3.31Å; G282-D287 VanDerWaalsContact CA-O 3.24Å; G282-D287 WeakPolarHBondContact CA-O 3.46Å
283	T	96.4	Very high	97.5	Very high	80 Å²	80	35.2 Å²	35.2	49%	0.491	21%	0.212	S	C	.	.			trans	-142.3	150.4	-177.5	60.9	0	0	0	0	110.7	S285 G286 D287	T283-S285 PolarHBondContact O-N 2.93Å; T283-G286 CarbonylContact O-C 3.56Å; T283-G286 PolarHBondContact O-N 3.38Å; T283-G286 VanDerWaalsContact O-N 3.14Å; T283-G286 VanDerWaalsContact O-O 3.09Å; T283-G286 PolarHBondContact OG1-N 3.18Å; T283-D287 PolarHBondContact N-O 3.32Å
284	L	90.7	Very high	97.6	Very high	152 Å²	152	31.7 Å²	31.7	80%	0.796	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.8	177.9	-72.4	177.2	0	0	0	113.8	M223 G286	M223-L284 HydrophobicContact CE-CD2 4.24Å; L284-G286 VanDerWaalsContact C-N 3.32Å
285	S	94.6	Very high	97.6	Very high	123 Å²	123	30.9 Å²	30.9	86%	0.86	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.9	175.7	50.9	0	0	0	0	113.5	T283	T283-S285 PolarHBondContact O-N 2.93Å
286	G	95.4	Very high	97.6	Very high	46 Å²	46	30.9 Å²	30.9	47%	0.474	19%	0.191	S	C	.	.	S	Bend	trans	-136.1	-148.4	178.5	0	0	0	0	0	111.5	T283 L284	T283-G286 CarbonylContact O-C 3.56Å; T283-G286 PolarHBondContact O-N 3.38Å; T283-G286 VanDerWaalsContact O-N 3.14Å; T283-G286 VanDerWaalsContact O-O 3.09Å; T283-G286 PolarHBondContact OG1-N 3.18Å; L284-G286 VanDerWaalsContact C-N 3.32Å
287	D	97.4	Very high	97.6	Very high	96 Å²	96	30.2 Å²	30.2	51%	0.513	19%	0.193	S	C	.	.			trans	-76.1	130.8	172.8	-75.2	-14	0	0	0	110	V220 G282 T283	V220-D287 HydrophobicContact CG1-CB 4.03Å; V220-D287 HydrophobicContact CG2-CB 4.27Å; G282-D287 VanDerWaalsContact CA-O 3.24Å; G282-D287 WeakPolarHBondContact CA-O 3.46Å; T283-D287 PolarHBondContact N-O 3.32Å
288	A	98.4	Very high	97.6	Very high	4 Å²	4	31 Å²	31	3%	0.033	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.4	171	0	0	0	0	0	110.3	L184 H221 Y281	L184-A288 HydrophobicContact CD1-CB 3.79Å; H221-A288 PolarHBondContact N-O 2.87Å; Y281-A288 VanDerWaalsContact O-CA 3.32Å; Y281-A288 WeakPolarHBondContact O-CA 3.5Å
289	G	98.6	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-142.2	176.2	0	0	0	0	0	111.1	W219 H221 P280 Y281	W219-G289 WeakPolarHBondContact O-CA 3.43Å; H221-G289 VanDerWaalsContact CD2-CA 3.4Å; H221-G289 WeakPolarHBondContact CD2-CA 3.43Å; P280-G289 CarbonylContact C-O 3.54Å; P280-G289 VanDerWaalsContact CA-O 3.26Å; P280-G289 WeakPolarHBondContact CA-O 3.4Å; Y281-G289 WeakPolarHBondContact CD1-O 3.33Å; Y281-G289 PolarHBondContact N-O 2.87Å; Y281-G289 PolarHBondContact O-N 3.41Å; Y281-G289 VanDerWaalsContact O-N 3.1Å
290	L	98.8	Very high	97.6	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130	-176.2	-167.3	71.6	0	0	0	111	D183 W219 H221 F292	D183-L290 HydrophobicContact CB-CD1 4.31Å; W219-L290 HydrophobicContact CB-CB 4.45Å; W219-L290 WeakPolarHBondContact CB-O 3.36Å; W219-L290 PolarHBondContact N-O 2.85Å; W219-L290 PolarHBondContact O-N 2.88Å; H221-L290 PolarHBondContact NE2-N 2.74Å; L290-F292 HydrophobicContact CD2-CB 4.37Å; L290-F292 HydrophobicContact CD2-CD2 4.31Å; L290-F292 PolarHBondContact O-N 3.11Å
291	L	98.8	Very high	97.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.4	159.1	-163.6	89.6	0	0	0	107.7	Y55 I173 K218 S278 Q279 Y281	Y55-L291 HydrophobicContact CD1-CD2 3.38Å; Y55-L291 HydrophobicContact CD2-CB 4.39Å; Y55-L291 HydrophobicContact CD2-CD2 3.1Å; Y55-L291 HydrophobicContact CD2-CG 4.33Å; Y55-L291 HydrophobicContact CE1-CD2 3.86Å; Y55-L291 HydrophobicContact CE2-CB 4.21Å; Y55-L291 HydrophobicContact CE2-CD2 3.59Å; Y55-L291 HydrophobicContact CG-CD2 2.93Å; Y55-L291 HydrophobicContact CG-CG 4.38Å; I173-L291 HydrophobicContact CD1-CD1 3.72Å; I173-L291 HydrophobicContact CG2-CD1 4.38Å; I173-L291 HydrophobicContact CG2-CD2 4.42Å; K218-L291 HydrophobicContact CB-CD1 3.75Å; K218-L291 HydrophobicContact CG-CD1 4.02Å; S278-L291 WeakPolarHBondContact CA-O 3.45Å; S278-L291 VanDerWaalsContact CB-O 3.28Å; S278-L291 WeakPolarHBondContact CB-O 3.26Å; Q279-L291 PolarHBondContact N-O 2.71Å; Q279-L291 PolarHBondContact O-N 2.85Å; Y281-L291 HydrophobicContact CD1-CB 4Å
292	F	98.8	Very high	97.6	Very high	27 Å²	27	36 Å²	36	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.9	-180	-178	-91.3	0	0	0	110	L215 V216 Q217 I274 R276 S278 L290 A294	L215-F292 HydrophobicContact CB-CE1 4.45Å; L215-F292 HydrophobicContact CD2-CD1 4.27Å; L215-F292 HydrophobicContact CD2-CE1 3.72Å; L215-F292 HydrophobicContact CG-CD1 4.18Å; L215-F292 HydrophobicContact CG-CE1 3.95Å; V216-F292 CarbonylContact C-O 3.46Å; V216-F292 VanDerWaalsContact CA-O 3.31Å; V216-F292 WeakPolarHBondContact CA-O 3.13Å; Q217-F292 HydrophobicContact CB-CB 4.29Å; Q217-F292 PolarHBondContact N-O 2.69Å; Q217-F292 PolarHBondContact O-N 3.37Å; I274-F292 HydrophobicContact CD1-CZ 4.01Å; R276-F292 HydrophobicContact CG-CE2 4.08Å; R276-F292 HydrophobicContact CG-CZ 4.26Å; S278-F292 VanDerWaalsContact OG-CD2 3.26Å; S278-F292 WeakPolarHBondContact OG-CD2 3.43Å; L290-F292 HydrophobicContact CD2-CB 4.37Å; L290-F292 HydrophobicContact CD2-CD2 4.31Å; L290-F292 PolarHBondContact O-N 3.11Å; F292-A294 HydrophobicContact CE1-CB 3.65Å; F292-A294 HydrophobicContact CZ-CB 3.61Å
293	I	98.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.3	162.9	-176	168.3	0	0	0	109.6	Y55 F140 H142 L215 V216 Q277 Y295	Y55-I293 HydrophobicContact CE1-CB 4.48Å; Y55-I293 HydrophobicContact CE1-CG2 3.78Å; F140-I293 HydrophobicContact CE1-CD1 3.89Å; H142-I293 HydrophobicContact CB-CD1 4.24Å; L215-I293 VanDerWaalsContact O-CA 3.26Å; L215-I293 WeakPolarHBondContact O-CA 3.17Å; V216-I293 HydrophobicContact CG2-CB 4.31Å; V216-I293 HydrophobicContact CG2-CD1 3.82Å; V216-I293 HydrophobicContact CG2-CG1 3.86Å; Q277-I293 VanDerWaalsContact C-CG2 3.43Å; Q277-I293 HydrophobicContact CB-CG2 3.97Å; Q277-I293 PolarHBondContact N-O 3.37Å; Q277-I293 WeakPolarHBondContact O-CG2 3.45Å; I293-Y295 HydrophobicContact CD1-CE1 4.46Å; I293-Y295 HydrophobicContact CD1-CE2 3.98Å; I293-Y295 WeakPolarHBondContact CD1-OH 3.23Å; I293-Y295 HydrophobicContact CG1-CE2 4.17Å
294	A	98.7	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147	170.5	0	0	0	0	0	111.9	A214 L215 I274 V275 R276 F292 F302	A214-A294 CarbonylContact C-O 3.56Å; A214-A294 WeakPolarHBondContact CA-O 3.44Å; L215-A294 PolarHBondContact N-O 2.87Å; L215-A294 PolarHBondContact O-N 3.23Å; I274-A294 HydrophobicContact CB-CB 4.17Å; I274-A294 HydrophobicContact CD1-CB 3.73Å; I274-A294 HydrophobicContact CG1-CB 4.31Å; V275-A294 CarbonylContact O-C 3.55Å; V275-A294 VanDerWaalsContact O-CA 3.22Å; V275-A294 WeakPolarHBondContact O-CA 3.37Å; R276-A294 HydrophobicContact CG-CB 4.23Å; F292-A294 HydrophobicContact CE1-CB 3.65Å; F292-A294 HydrophobicContact CZ-CB 3.61Å; A294-F302 HydrophobicContact CB-CE1 3.89Å; A294-F302 VanDerWaalsContact O-CZ 3.28Å; A294-F302 WeakPolarHBondContact O-CZ 3.47Å
295	Y	98.8	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.3	177.6	-65.2	-79.8	0	0	0	111.5	V45 H142 Y213 A214 V275 I293 F335	V45-Y295 HydrophobicContact CB-CD1 4.35Å; V45-Y295 HydrophobicContact CB-CE1 4.42Å; V45-Y295 HydrophobicContact CG1-CD1 3.95Å; V45-Y295 HydrophobicContact CG1-CG 4.01Å; V45-Y295 HydrophobicContact CG2-CD1 4.1Å; V45-Y295 HydrophobicContact CG2-CE1 3.86Å; H142-Y295 AromaticContact ND1-CE2 3.88Å; H142-Y295 AromaticContact ND1-CZ 3.79Å; H142-Y295 PolarHBondContact ND1-OH 2.99Å; Y213-Y295 CarbonylContact O-C 3.54Å; Y213-Y295 WeakPolarHBondContact O-CA 3.33Å; A214-Y295 HydrophobicContact CB-CD1 3.74Å; A214-Y295 HydrophobicContact CB-CE1 3.72Å; V275-Y295 PolarHBondContact N-O 2.91Å; V275-Y295 PolarHBondContact O-N 3.29Å; I293-Y295 HydrophobicContact CD1-CE1 4.46Å; I293-Y295 HydrophobicContact CD1-CE2 3.98Å; I293-Y295 WeakPolarHBondContact CD1-OH 3.23Å; I293-Y295 HydrophobicContact CG1-CE2 4.17Å; Y295-F335 HydrophobicContact CE1-CD1 4.04Å; Y295-F335 AromaticContact CE1-CD2 3.76Å; Y295-F335 HydrophobicContact CE1-CD2 3.76Å; Y295-F335 HydrophobicContact CE1-CE1 4.02Å; Y295-F335 AromaticContact CE1-CE2 3.77Å; Y295-F335 HydrophobicContact CE1-CE2 3.77Å; Y295-F335 AromaticContact CE1-CG 3.9Å; Y295-F335 HydrophobicContact CE1-CG 3.9Å; Y295-F335 AromaticContact CE1-CZ 3.87Å; Y295-F335 HydrophobicContact CE1-CZ 3.87Å; Y295-F335 WeakPolarHBondContact OH-CE1 3.25Å; Y295-F335 WeakPolarHBondContact OH-CZ 3.32Å
296	A	98.7	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.9	177.5	0	0	0	0	0	111.8	V203 A204 S212 Y213 I274 D298 N301 F302	V203-A296 CarbonylContact O-C 3.57Å; V203-A296 WeakPolarHBondContact O-CA 3.32Å; A204-A296 CarbonylContact O-C 3.45Å; S212-A296 PolarHBondContact OG-O 2.99Å; Y213-A296 PolarHBondContact N-O 3.48Å; Y213-A296 PolarHBondContact O-N 3.31Å; I274-A296 HydrophobicContact CG2-CB 4.16Å; A296-D298 PolarHBondContact O-N 3.36Å; A296-N301 HydrophobicContact CB-CB 4.04Å; A296-F302 HydrophobicContact CB-CE1 3.81Å; A296-F302 HydrophobicContact CB-CE2 3.97Å; A296-F302 HydrophobicContact CB-CZ 3.44Å; A296-F302 VanDerWaalsContact CB-CZ 3.44Å
297	A	98	Very high	98.5	Very high	23 Å²	23	21.4 Å²	21.4	19%	0.19	11%	0.111	C	C	.	.	S	Bend	trans	-68.8	-15	176.1	0	0	0	0	0	114.2	V203 A204 I205 N206 Y213	V203-A297 PolarHBondContact O-N 2.84Å; A204-A297 PolarHBondContact O-N 3.32Å; I205-A297 WeakPolarHBondContact O-CB 3.25Å; N206-A297 WeakPolarHBondContact CB-O 3.47Å; N206-A297 PolarHBondContact ND2-O 2.97Å; Y213-A297 WeakPolarHBondContact CD2-O 3.26Å; Y213-A297 WeakPolarHBondContact CE2-O 3.26Å
298	D	98.4	Very high	98.6	Very high	19 Å²	19	18.8 Å²	18.8	10%	0.102	9%	0.094	C	C	.	.	S	Bend	trans	-156.2	145.9	-177.7	-162.6	-45	0	0	0	110.7	K118 A296 K300 N301	K118-D298 IonicContact NZ-OD1 2.69Å; K118-D298 IonicContact NZ-OD2 3.03Å; K118-D298 PolarHBondContact NZ-OD2 3.37Å; A296-D298 PolarHBondContact O-N 3.36Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 HydrophobicContact CB-CD 4.33Å; D298-K300 HydrophobicContact CB-CG 4.04Å; D298-K300 PolarHBondContact O-N 3.03Å; D298-K300 PolarHBondContact OD1-N 3.26Å; D298-K300 VanDerWaalsContact OD1-N 3.15Å; D298-N301 PolarHBondContact O-N 3.29Å
299	T	98.4	Very high	98.6	Very high	14 Å²	14	19 Å²	19	9%	0.086	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.1	-180	57.9	0	0	0	0	113.1	Y213 N301 F302 D303 Y332	Y213-T299 HydrophobicContact CD1-CG2 3.71Å; Y213-T299 HydrophobicContact CE1-CG2 4.37Å; Y213-T299 HydrophobicContact CG-CG2 4Å; T299-N301 PolarHBondContact O-N 3.02Å; T299-F302 WeakPolarHBondContact O-CA 3.32Å; T299-F302 WeakPolarHBondContact O-CB 3.04Å; T299-F302 PolarHBondContact O-N 3.17Å; T299-D303 PolarHBondContact O-N 2.76Å; T299-Y332 HydrophobicContact CG2-CD2 4.23Å; T299-Y332 HydrophobicContact CG2-CG 4.47Å
300	K	98	Very high	98.6	Very high	101 Å²	101	19.2 Å²	19.2	44%	0.439	10%	0.096	S	C	.	.	H	α-helix	trans	-53.8	-29.9	177.1	73.8	-174.3	179.3	177	0	112.8	Y272 D298 F302 D303 F304	Y272-K300 HydrophobicContact CD1-CG 4.46Å; Y272-K300 HydrophobicContact CE1-CD 4.02Å; Y272-K300 HydrophobicContact CE1-CG 4.06Å; D298-K300 VanDerWaalsContact C-N 3.25Å; D298-K300 HydrophobicContact CB-CD 4.33Å; D298-K300 HydrophobicContact CB-CG 4.04Å; D298-K300 PolarHBondContact O-N 3.03Å; D298-K300 PolarHBondContact OD1-N 3.26Å; D298-K300 VanDerWaalsContact OD1-N 3.15Å; K300-F302 VanDerWaalsContact C-N 3.35Å; K300-D303 PolarHBondContact O-N 3.01Å; K300-F304 WeakPolarHBondContact O-CB 3.37Å; K300-F304 PolarHBondContact O-N 2.55Å
301	N	98.5	Very high	98.5	Very high	17 Å²	17	18.7 Å²	18.7	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-43.9	178.2	-63.2	33	0	0	0	110	Y272 E273 I274 A296 D298 T299 M305	Y272-N301 HydrophobicContact CG-CB 4.47Å; E273-N301 PolarHBondContact O-ND2 3.4Å; I274-N301 HydrophobicContact CG2-CB 4.02Å; A296-N301 HydrophobicContact CB-CB 4.04Å; D298-N301 PolarHBondContact O-N 3.29Å; T299-N301 PolarHBondContact O-N 3.02Å; N301-M305 WeakPolarHBondContact O-CG 3.36Å
302	F	98.7	Very high	98.5	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-71.2	-44.9	174.6	-51.9	-48.5	0	0	0	111.4	L215 I274 A294 A296 T299 K300 F304 M305 L306 Y332	L215-F302 HydrophobicContact CB-CB 4.49Å; L215-F302 HydrophobicContact CB-CD1 3.81Å; L215-F302 HydrophobicContact CB-CD2 3.99Å; L215-F302 HydrophobicContact CB-CE1 3.94Å; L215-F302 HydrophobicContact CB-CE2 4.11Å; L215-F302 HydrophobicContact CB-CG 3.84Å; L215-F302 HydrophobicContact CB-CZ 4.09Å; L215-F302 HydrophobicContact CD2-CB 4.18Å; L215-F302 HydrophobicContact CD2-CD1 4.15Å; L215-F302 HydrophobicContact CD2-CG 4.26Å; I274-F302 HydrophobicContact CB-CE1 4.23Å; I274-F302 HydrophobicContact CG2-CD1 3.8Å; I274-F302 HydrophobicContact CG2-CE1 3.6Å; A294-F302 HydrophobicContact CB-CE1 3.89Å; A294-F302 VanDerWaalsContact O-CZ 3.28Å; A294-F302 WeakPolarHBondContact O-CZ 3.47Å; A296-F302 HydrophobicContact CB-CE1 3.81Å; A296-F302 HydrophobicContact CB-CE2 3.97Å; A296-F302 HydrophobicContact CB-CZ 3.44Å; A296-F302 VanDerWaalsContact CB-CZ 3.44Å; T299-F302 WeakPolarHBondContact O-CA 3.32Å; T299-F302 WeakPolarHBondContact O-CB 3.04Å; T299-F302 PolarHBondContact O-N 3.17Å; K300-F302 VanDerWaalsContact C-N 3.35Å; F302-F304 VanDerWaalsContact C-N 3.3Å; F302-F304 PolarHBondContact O-N 2.87Å; F302-M305 PolarHBondContact O-N 3.19Å; F302-L306 WeakPolarHBondContact O-CB 3.2Å; F302-L306 WeakPolarHBondContact O-CG 3.45Å; F302-L306 PolarHBondContact O-N 2.81Å; F302-Y332 HydrophobicContact CB-CE1 3.6Å; F302-Y332 WeakPolarHBondContact CB-OH 3.32Å; F302-Y332 HydrophobicContact CD2-CD1 4.03Å; F302-Y332 AromaticContact CD2-CE1 3.68Å; F302-Y332 HydrophobicContact CD2-CE1 3.68Å; F302-Y332 AromaticContact CG-CE1 3.94Å; F302-Y332 HydrophobicContact CG-CE1 3.94Å
303	D	98.6	Very high	98.3	Very high	40 Å²	40	20.7 Å²	20.7	21%	0.214	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-45.2	-178.3	-72.1	-46.2	0	0	0	111.5	R125 T299 K300 M305 L306 D307 Y332	R125-D303 IonicContact CZ-OD1 3.65Å; R125-D303 IonicContact NH1-OD1 3.19Å; R125-D303 IonicContact NH2-OD1 3.75Å; R125-D303 PolarHBondContact NH2-OD1 2.86Å; T299-D303 PolarHBondContact O-N 2.76Å; K300-D303 PolarHBondContact O-N 3.01Å; D303-M305 VanDerWaalsContact C-N 3.31Å; D303-M305 PolarHBondContact O-N 3.42Å; D303-L306 PolarHBondContact O-N 3.49Å; D303-D307 VanDerWaalsContact O-CB 3.26Å; D303-D307 WeakPolarHBondContact O-CB 3.49Å; D303-D307 PolarHBondContact O-N 2.86Å; D303-Y332 PolarHBondContact OD1-OH 2.96Å
304	F	98.4	Very high	98.1	Very high	30 Å²	30	28.4 Å²	28.4	13%	0.132	15%	0.149	C	C	.	.	H	α-helix	trans	-53.8	-47.5	174.4	170.3	-99.8	0	0	0	112.6	K271 Y272 K300 F302 R308	K271-F304 HydrophobicContact CB-CE1 4.39Å; K271-F304 HydrophobicContact CB-CZ 4.18Å; K271-F304 HydrophobicContact CD-CD2 4.16Å; K271-F304 HydrophobicContact CD-CE2 3.66Å; K271-F304 HydrophobicContact CD-CZ 3.99Å; Y272-F304 HydrophobicContact CD2-CB 3.5Å; Y272-F304 AromaticContact CD2-CD1 3.62Å; Y272-F304 HydrophobicContact CD2-CD1 3.62Å; Y272-F304 AromaticContact CD2-CD2 4Å; Y272-F304 HydrophobicContact CD2-CD2 4Å; Y272-F304 HydrophobicContact CD2-CE1 4.32Å; Y272-F304 AromaticContact CD2-CG 3.41Å; Y272-F304 HydrophobicContact CD2-CG 3.41Å; Y272-F304 VanDerWaalsContact CD2-CG 3.41Å; Y272-F304 HydrophobicContact CE2-CB 3.7Å; Y272-F304 HydrophobicContact CE2-CD1 4.36Å; Y272-F304 AromaticContact CE2-CD2 3.91Å; Y272-F304 HydrophobicContact CE2-CD2 3.91Å; Y272-F304 AromaticContact CE2-CG 3.73Å; Y272-F304 HydrophobicContact CE2-CG 3.73Å; K300-F304 WeakPolarHBondContact O-CB 3.37Å; K300-F304 PolarHBondContact O-N 2.55Å; F302-F304 VanDerWaalsContact C-N 3.3Å; F302-F304 PolarHBondContact O-N 2.87Å; F304-R308 VanDerWaalsContact CZ-CD 3.49Å; F304-R308 VanDerWaalsContact O-CG 3.32Å; F304-R308 WeakPolarHBondContact O-CG 3.42Å; F304-R308 PolarHBondContact O-N 2.96Å
305	M	98.6	Very high	98	Very high	13 Å²	13	31 Å²	31	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-69.7	-48.4	-177.7	-67.6	177.8	-170.5	0	0	111.2	M260 Y272 I274 N301 F302 D303 D307 R308 M309	M260-M305 HydrophobicContact CE-CB 3.9Å; M260-M305 HydrophobicContact CE-CG 4.42Å; M260-M305 HydrophobicContact SD-CB 3.66Å; M260-M305 HydrophobicContact SD-CG 3.78Å; M260-M305 HydrophobicContact SD-SD 3.9Å; Y272-M305 WeakPolarHBondContact O-CE 3.28Å; I274-M305 HydrophobicContact CD1-CE 4.27Å; I274-M305 HydrophobicContact CD1-SD 3.62Å; I274-M305 HydrophobicContact CG1-CE 4.12Å; I274-M305 HydrophobicContact CG1-SD 4.14Å; I274-M305 HydrophobicContact CG2-CE 3.99Å; I274-M305 HydrophobicContact CG2-SD 4.17Å; N301-M305 WeakPolarHBondContact O-CG 3.36Å; F302-M305 PolarHBondContact O-N 3.19Å; D303-M305 VanDerWaalsContact C-N 3.31Å; D303-M305 PolarHBondContact O-N 3.42Å; M305-D307 VanDerWaalsContact C-N 3.35Å; M305-D307 PolarHBondContact O-N 3.43Å; M305-R308 PolarHBondContact O-N 3.25Å; M305-M309 WeakPolarHBondContact O-CG 3.46Å; M305-M309 PolarHBondContact O-N 3.36Å
306	L	98.8	Very high	97.9	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-36.2	-178	-64.3	-172.2	0	0	0	112.8	Y122 L132 L215 F302 D303 R308 M309 T310 Y332	Y122-L306 HydrophobicContact CE2-CD1 4.1Å; L132-L306 HydrophobicContact CD1-CB 3.88Å; L132-L306 HydrophobicContact CD1-CD1 4.5Å; L132-L306 HydrophobicContact CD1-CD2 3.87Å; L132-L306 HydrophobicContact CD1-CG 4.28Å; L215-L306 HydrophobicContact CD1-CD1 4.32Å; L215-L306 HydrophobicContact CD2-CD1 4.02Å; L215-L306 HydrophobicContact CD2-CD2 3.89Å; L215-L306 HydrophobicContact CD2-CG 4.16Å; F302-L306 WeakPolarHBondContact O-CB 3.2Å; F302-L306 WeakPolarHBondContact O-CG 3.45Å; F302-L306 PolarHBondContact O-N 2.81Å; D303-L306 PolarHBondContact O-N 3.49Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-M309 HydrophobicContact CD2-SD 4.01Å; L306-M309 PolarHBondContact O-N 3Å; L306-T310 PolarHBondContact O-N 3.43Å; L306-T310 PolarHBondContact O-OG1 3.38Å; L306-Y332 HydrophobicContact CD1-CE1 4.35Å; L306-Y332 WeakPolarHBondContact CD1-OH 3.27Å
307	D	98.7	Very high	97.9	Very high	37 Å²	37	41.2 Å²	41.2	20%	0.198	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-41.1	175.6	-69.4	-3.1	0	0	0	110.8	R123 R125 D303 M305 M309 T310 G311 D312	R123-D307 IonicContact CZ-OD1 2.95Å; R123-D307 IonicContact NH1-OD1 3.48Å; R123-D307 IonicContact NH2-OD1 2.97Å; R123-D307 PolarHBondContact NH2-OD1 3.35Å; R123-D307 IonicContact NH2-OD2 3.25Å; R123-D307 PolarHBondContact NH2-OD2 3Å; R123-D307 VanDerWaalsContact NH2-OD2 3.11Å; R125-D307 IonicContact CZ-OD1 3.72Å; R125-D307 VanDerWaalsContact CZ-OD1 3.26Å; R125-D307 IonicContact NE-OD1 2.74Å; R125-D307 PolarHBondContact NE-OD1 2.89Å; R125-D307 IonicContact NH2-OD1 3.46Å; R125-D307 PolarHBondContact NH2-OD1 3Å; D303-D307 VanDerWaalsContact O-CB 3.26Å; D303-D307 WeakPolarHBondContact O-CB 3.49Å; D303-D307 PolarHBondContact O-N 2.86Å; M305-D307 VanDerWaalsContact C-N 3.35Å; M305-D307 PolarHBondContact O-N 3.43Å; D307-M309 VanDerWaalsContact C-N 3.29Å; D307-M309 PolarHBondContact O-N 3.24Å; D307-T310 PolarHBondContact O-N 3.09Å; D307-G311 PolarHBondContact O-N 2.67Å; D307-D312 HydrophobicContact CB-CB 3.96Å; D307-D312 PolarHBondContact O-N 2.92Å
308	R	98.4	Very high	97.9	Very high	41 Å²	41	41.2 Å²	41.2	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-26.1	176	-68.6	-173.3	80.3	71.8	2.3	112.8	R259 F304 M305 L306 D315	R259-R308 HydrophobicContact CB-CB 4.31Å; R259-R308 PolarHBondContact NE-O 2.98Å; R259-R308 VanDerWaalsContact NH1-NH2 3.18Å; R259-R308 PolarHBondContact NH2-O 2.9Å; R259-R308 VanDerWaalsContact NH2-O 3.09Å; R259-R308 WeakPolarHBondContact O-CD 3.26Å; F304-R308 VanDerWaalsContact CZ-CD 3.49Å; F304-R308 VanDerWaalsContact O-CG 3.32Å; F304-R308 WeakPolarHBondContact O-CG 3.42Å; F304-R308 PolarHBondContact O-N 2.96Å; M305-R308 PolarHBondContact O-N 3.25Å; L306-R308 VanDerWaalsContact C-N 3.32Å; R308-D315 IonicContact CZ-OD2 3.35Å; R308-D315 IonicContact NH1-OD2 2.7Å; R308-D315 IonicContact NH2-OD2 2.67Å; R308-D315 PolarHBondContact NH2-OD2 3.16Å
309	M	98.7	Very high	97.9	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.044	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-43.3	174.2	-68.7	-178.9	79.7	0	0	112.7	W219 M260 M305 L306 D307 N318 D319 I321 M322	W219-M309 HydrophobicContact CH2-CE 3.49Å; W219-M309 VanDerWaalsContact CH2-CE 3.49Å; W219-M309 HydrophobicContact CZ2-CE 3.81Å; W219-M309 HydrophobicContact CZ3-CE 4.43Å; M260-M309 HydrophobicContact CE-CG 3.52Å; M260-M309 HydrophobicContact CE-SD 4.03Å; M305-M309 WeakPolarHBondContact O-CG 3.46Å; M305-M309 PolarHBondContact O-N 3.36Å; L306-M309 HydrophobicContact CD2-SD 4.01Å; L306-M309 PolarHBondContact O-N 3Å; D307-M309 VanDerWaalsContact C-N 3.29Å; D307-M309 PolarHBondContact O-N 3.24Å; M309-N318 WeakPolarHBondContact O-CA 3.29Å; M309-D319 HydrophobicContact CB-CB 4.05Å; M309-D319 HydrophobicContact CG-CB 4Å; M309-D319 PolarHBondContact O-N 3.46Å; M309-I321 HydrophobicContact CE-CG2 3.64Å; M309-M322 HydrophobicContact CB-SD 4Å; M309-M322 HydrophobicContact CE-CG 4.13Å; M309-M322 HydrophobicContact CE-SD 4.37Å
310	T	98.6	Very high	97.9	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-93.4	-2.8	-174.4	46.2	0	0	0	0	113.9	R125 G127 L132 L306 D307 D312 N318 M322	R125-T310 HydrophobicContact CB-CG2 3.77Å; G127-T310 WeakPolarHBondContact CA-O 3.16Å; L132-T310 HydrophobicContact CD1-CG2 3.64Å; L132-T310 HydrophobicContact CG-CG2 3.75Å; L306-T310 PolarHBondContact O-N 3.43Å; L306-T310 PolarHBondContact O-OG1 3.38Å; D307-T310 PolarHBondContact O-N 3.09Å; T310-D312 VanDerWaalsContact C-N 3.32Å; T310-N318 PolarHBondContact O-OD1 2.58Å; T310-M322 HydrophobicContact CG2-CE 4.34Å; T310-M322 HydrophobicContact CG2-SD 4.35Å
311	G	98	Very high	98	Very high	7 Å²	7	40 Å²	40	7%	0.072	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	19.9	-177.9	0	0	0	0	0	113.7	D307 S313 K316 K317	D307-G311 PolarHBondContact O-N 2.67Å; G311-S313 PolarHBondContact O-N 3.03Å; G311-K316 WeakPolarHBondContact O-CD 3.47Å; G311-K317 VanDerWaalsContact CA-O 3.25Å; G311-K317 WeakPolarHBondContact CA-O 3.46Å
312	D	97.6	Very high	98	Very high	59 Å²	59	39.5 Å²	39.5	32%	0.316	19%	0.193	S	C	.	.			trans	-69.3	-19.5	172	-77.7	-3.3	0	0	0	111.5	R123 D307 T310 K316	R123-D312 IonicContact CZ-OD2 2.7Å; R123-D312 IonicContact NH1-OD2 3.83Å; R123-D312 PolarHBondContact NH1-OD2 3.05Å; D307-D312 HydrophobicContact CB-CB 3.96Å; D307-D312 PolarHBondContact O-N 2.92Å; T310-D312 VanDerWaalsContact C-N 3.32Å; D312-K316 PolarHBondContact O-NZ 3.43Å
313	S	95.8	Very high	98	Very high	16 Å²	16	42.1 Å²	42.1	11%	0.112	21%	0.207	C	C	.	.	S	Bend	trans	-64.4	165.6	173.4	52.3	0	0	0	0	114	R259 G311 D315 K316	R259-S313 PolarHBondContact NH2-OG 3.1Å; G311-S313 PolarHBondContact O-N 3.03Å; S313-D315 VanDerWaalsContact C-N 3.26Å; S313-D315 PolarHBondContact O-N 2.83Å; S313-D315 PolarHBondContact OG-OD1 3.14Å; S313-K316 WeakPolarHBondContact O-CD 3.49Å; S313-K316 WeakPolarHBondContact O-CE 3.19Å; S313-K316 PolarHBondContact O-N 3.17Å; S313-K316 VanDerWaalsContact O-N 3.09Å; S313-K316 PolarHBondContact O-NZ 2.66Å; S313-K316 VanDerWaalsContact O-NZ 3.13Å
314	D	94.7	Very high	98	Very high	161 Å²	161	40.5 Å²	40.5	86%	0.861	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.7	-176.3	-61.9	-29.1	0	0	0	113.6	K316	D314-K316 PolarHBondContact O-N 2.98Å
315	D	96.1	Very high	98	Very high	55 Å²	55	39.2 Å²	39.2	29%	0.294	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10.1	179.7	64.2	6.9	0	0	0	114.2	R259 R308 S313 K317	R259-D315 IonicContact CZ-OD1 3.97Å; R259-D315 IonicContact CZ-OD2 2.75Å; R259-D315 IonicContact NH1-OD1 3.6Å; R259-D315 IonicContact NH1-OD2 2.7Å; R259-D315 PolarHBondContact NH1-OD2 2.99Å; R259-D315 IonicContact NH2-OD1 2.71Å; R259-D315 PolarHBondContact NH2-OD1 3.16Å; R259-D315 IonicContact NH2-OD2 2.8Å; R259-D315 PolarHBondContact NH2-OD2 3.19Å; R308-D315 IonicContact CZ-OD2 3.35Å; R308-D315 IonicContact NH1-OD2 2.7Å; R308-D315 IonicContact NH2-OD2 2.67Å; R308-D315 PolarHBondContact NH2-OD2 3.16Å; S313-D315 VanDerWaalsContact C-N 3.26Å; S313-D315 PolarHBondContact O-N 2.83Å; S313-D315 PolarHBondContact OG-OD1 3.14Å; D315-K317 PolarHBondContact O-N 3.22Å; D315-K317 PolarHBondContact OD1-N 3.36Å
316	K	96.9	Very high	98	Very high	134 Å²	134	45.2 Å²	45.2	58%	0.583	22%	0.215	S	C	*	.			trans	53.8	18.8	-179.4	-53.5	-60.1	168.1	-155.4	0	115.3	G311 D312 S313 D314	G311-K316 WeakPolarHBondContact O-CD 3.47Å; D312-K316 PolarHBondContact O-NZ 3.43Å; S313-K316 WeakPolarHBondContact O-CD 3.49Å; S313-K316 WeakPolarHBondContact O-CE 3.19Å; S313-K316 PolarHBondContact O-N 3.17Å; S313-K316 VanDerWaalsContact O-N 3.09Å; S313-K316 PolarHBondContact O-NZ 2.66Å; S313-K316 VanDerWaalsContact O-NZ 3.13Å; D314-K316 PolarHBondContact O-N 2.98Å
317	K	97.9	Very high	98	Very high	81 Å²	81	45.3 Å²	45.3	35%	0.352	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-88.1	137.7	179	-72.5	173.5	-169.6	174.7	0	110.1	D253 T254 R259 G311 D315	D253-K317 HydrophobicContact CB-CD 4.41Å; D253-K317 WeakPolarHBondContact OD2-CE 3.18Å; D253-K317 IonicContact OD2-NZ 3.88Å; D253-K317 PolarHBondContact OD2-NZ 2.96Å; T254-K317 HydrophobicContact CG2-CB 4.23Å; T254-K317 HydrophobicContact CG2-CG 4.43Å; R259-K317 PolarHBondContact NH2-O 3.47Å; G311-K317 VanDerWaalsContact CA-O 3.25Å; G311-K317 WeakPolarHBondContact CA-O 3.46Å; D315-K317 PolarHBondContact O-N 3.22Å; D315-K317 PolarHBondContact OD1-N 3.36Å
318	N	98.2	Very high	98	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.118	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-99.2	154	179.3	-71.5	-113.4	0	0	0	109.8	G127 K128 F129 M309 T310	G127-N318 WeakPolarHBondContact CA-OD1 3.44Å; K128-N318 PolarHBondContact N-OD1 2.82Å; F129-N318 HydrophobicContact CD2-CB 3.84Å; F129-N318 HydrophobicContact CE2-CB 3.87Å; M309-N318 WeakPolarHBondContact O-CA 3.29Å; T310-N318 PolarHBondContact O-OD1 2.58Å
319	D	98.8	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.9	126.9	174.9	-166.8	-30.1	0	0	0	111.3	H256 R259 M309 I321 M322	H256-D319 WeakPolarHBondContact CA-OD1 3.31Å; H256-D319 IonicContact CE1-OD2 2.79Å; H256-D319 IonicContact CG-OD2 2.69Å; H256-D319 IonicContact ND1-OD1 2.58Å; H256-D319 IonicContact ND1-OD2 2.71Å; H256-D319 PolarHBondContact ND1-OD2 3.16Å; R259-D319 HydrophobicContact CB-CB 4.36Å; R259-D319 HydrophobicContact CG-CB 3.73Å; M309-D319 HydrophobicContact CB-CB 4.05Å; M309-D319 HydrophobicContact CG-CB 4Å; M309-D319 PolarHBondContact O-N 3.46Å; D319-I321 HydrophobicContact CB-CG2 4.18Å; D319-I321 VanDerWaalsContact CG-CG2 3.42Å; D319-I321 PolarHBondContact O-N 3.14Å; D319-I321 WeakPolarHBondContact OD1-CB 3.32Å; D319-I321 VanDerWaalsContact OD1-CG2 3.23Å; D319-I321 WeakPolarHBondContact OD1-CG2 3.36Å; D319-I321 PolarHBondContact OD1-N 3.41Å; D319-M322 WeakPolarHBondContact O-CB 3.36Å; D319-M322 PolarHBondContact O-N 2.83Å
320	Y	98.7	Very high	98	Very high	79 Å²	79	44.5 Å²	44.5	31%	0.31	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.5	-179.8	-77.3	5.2	0	0	0	113.7	F129 W237 T254 M322 I323	F129-Y320 AromaticContact CE2-CD1 3.77Å; F129-Y320 HydrophobicContact CE2-CD1 3.77Å; F129-Y320 AromaticContact CE2-CE1 3.85Å; F129-Y320 HydrophobicContact CE2-CE1 3.85Å; F129-Y320 HydrophobicContact CZ-CD1 4.25Å; F129-Y320 HydrophobicContact CZ-CE1 4.03Å; W237-Y320 AromaticContact CD1-CD2 3.68Å; T254-Y320 HydrophobicContact CG2-CD1 4.17Å; T254-Y320 HydrophobicContact CG2-CE1 3.68Å; T254-Y320 HydrophobicContact CG2-CE2 4.37Å; T254-Y320 PolarHBondContact O-N 2.99Å; T254-Y320 VanDerWaalsContact OG1-CD2 3.22Å; T254-Y320 WeakPolarHBondContact OG1-CD2 3.28Å; T254-Y320 WeakPolarHBondContact OG1-CE2 3.35Å; Y320-M322 PolarHBondContact O-N 3.01Å; Y320-I323 HydrophobicContact CD1-CD1 3.74Å; Y320-I323 HydrophobicContact CD1-CG1 4.46Å; Y320-I323 HydrophobicContact CD2-CD1 4.12Å; Y320-I323 HydrophobicContact CE1-CD1 4.31Å; Y320-I323 HydrophobicContact CG-CD1 3.62Å; Y320-I323 VanDerWaalsContact O-CB 3.26Å; Y320-I323 WeakPolarHBondContact O-CB 3.47Å; Y320-I323 WeakPolarHBondContact O-CG1 3.35Å; Y320-I323 PolarHBondContact O-N 3.45Å
321	I	98.6	Very high	98	Very high	30 Å²	30	44.5 Å²	44.5	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-31.1	167.5	-157	171.9	0	0	0	111.6	I238 H256 M309 D319 I323 F324 S325	I238-I321 HydrophobicContact CD1-CB 4.45Å; I238-I321 HydrophobicContact CD1-CD1 4.03Å; I238-I321 HydrophobicContact CD1-CG1 3.91Å; H256-I321 HydrophobicContact CB-CB 4.21Å; H256-I321 HydrophobicContact CB-CD1 4.43Å; M309-I321 HydrophobicContact CE-CG2 3.64Å; D319-I321 HydrophobicContact CB-CG2 4.18Å; D319-I321 VanDerWaalsContact CG-CG2 3.42Å; D319-I321 PolarHBondContact O-N 3.14Å; D319-I321 WeakPolarHBondContact OD1-CB 3.32Å; D319-I321 VanDerWaalsContact OD1-CG2 3.23Å; D319-I321 WeakPolarHBondContact OD1-CG2 3.36Å; D319-I321 PolarHBondContact OD1-N 3.41Å; I321-I323 PolarHBondContact O-N 3.3Å; I321-F324 HydrophobicContact CB-CE1 4.46Å; I321-F324 HydrophobicContact CG1-CE1 3.83Å; I321-F324 HydrophobicContact CG1-CE2 4.46Å; I321-F324 HydrophobicContact CG1-CZ 3.63Å; I321-F324 PolarHBondContact O-N 2.72Å; I321-S325 VanDerWaalsContact O-CB 3.31Å; I321-S325 WeakPolarHBondContact O-CB 3.46Å; I321-S325 PolarHBondContact O-N 2.71Å
322	M	98.7	Very high	98	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-7.9	-179.9	-60.3	-174.2	68.7	0	0	113.3	F129 L132 W219 M309 T310 D319 Y320 S325	F129-M322 HydrophobicContact CB-CB 3.79Å; L132-M322 HydrophobicContact CD2-CE 4.21Å; W219-M322 HydrophobicContact CH2-CE 4.4Å; W219-M322 HydrophobicContact CH2-CG 4.16Å; W219-M322 HydrophobicContact CH2-SD 4.48Å; W219-M322 HydrophobicContact CZ3-CE 4.49Å; W219-M322 HydrophobicContact CZ3-CG 4.07Å; M309-M322 HydrophobicContact CB-SD 4Å; M309-M322 HydrophobicContact CE-CG 4.13Å; M309-M322 HydrophobicContact CE-SD 4.37Å; T310-M322 HydrophobicContact CG2-CE 4.34Å; T310-M322 HydrophobicContact CG2-SD 4.35Å; D319-M322 WeakPolarHBondContact O-CB 3.36Å; D319-M322 PolarHBondContact O-N 2.83Å; Y320-M322 PolarHBondContact O-N 3.01Å; M322-S325 WeakPolarHBondContact CA-O 3.28Å
323	I	98.7	Very high	98.1	Very high	57 Å²	57	41.7 Å²	41.7	29%	0.292	20%	0.2	S	C	.	.	H	α-helix	trans	-67.1	-42	173.4	-66.7	173.1	0	0	0	110.4	F129 L225 W237 Y320 I321	F129-I323 HydrophobicContact CD1-CG1 4.01Å; F129-I323 HydrophobicContact CD2-CG1 4.11Å; F129-I323 HydrophobicContact CE1-CD1 4.44Å; F129-I323 HydrophobicContact CE1-CG1 3.92Å; F129-I323 HydrophobicContact CE2-CD1 4.39Å; F129-I323 HydrophobicContact CE2-CG1 4.03Å; F129-I323 HydrophobicContact CG-CG1 4.11Å; F129-I323 HydrophobicContact CZ-CD1 4.13Å; F129-I323 HydrophobicContact CZ-CG1 3.93Å; L225-I323 HydrophobicContact CD2-CG2 4.21Å; W237-I323 HydrophobicContact CH2-CG2 4.15Å; W237-I323 HydrophobicContact CZ2-CG2 4.08Å; Y320-I323 HydrophobicContact CD1-CD1 3.74Å; Y320-I323 HydrophobicContact CD1-CG1 4.46Å; Y320-I323 HydrophobicContact CD2-CD1 4.12Å; Y320-I323 HydrophobicContact CE1-CD1 4.31Å; Y320-I323 HydrophobicContact CG-CD1 3.62Å; Y320-I323 VanDerWaalsContact O-CB 3.26Å; Y320-I323 WeakPolarHBondContact O-CB 3.47Å; Y320-I323 WeakPolarHBondContact O-CG1 3.35Å; Y320-I323 PolarHBondContact O-N 3.45Å; I321-I323 PolarHBondContact O-N 3.3Å
324	F	98.3	Very high	98.2	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	19%	0.194	C	C	.	.	H	α-helix	trans	-105.7	-12	-178.5	73.7	-97.2	0	0	0	113.4	H221 N222 L225 L226 W237 I238 I321	H221-F324 CarbonylContact C-O 3.53Å; H221-F324 WeakPolarHBondContact CA-O 2.89Å; N222-F324 PolarHBondContact N-O 2.96Å; L225-F324 HydrophobicContact CD2-CB 3.94Å; L226-F324 HydrophobicContact CD1-CD2 3.82Å; L226-F324 HydrophobicContact CD1-CE2 4.21Å; L226-F324 HydrophobicContact CD2-CB 4.27Å; L226-F324 HydrophobicContact CD2-CD1 4.25Å; L226-F324 HydrophobicContact CD2-CD2 3.68Å; L226-F324 HydrophobicContact CD2-CE2 4Å; L226-F324 HydrophobicContact CD2-CG 3.8Å; L226-F324 HydrophobicContact CD2-CZ 4.4Å; L226-F324 HydrophobicContact CG-CB 4.29Å; L226-F324 HydrophobicContact CG-CD2 3.88Å; L226-F324 HydrophobicContact CG-CG 4.19Å; W237-F324 AromaticContact CE3-CD1 3.64Å; W237-F324 HydrophobicContact CE3-CD1 3.64Å; W237-F324 HydrophobicContact CE3-CE1 4.25Å; W237-F324 HydrophobicContact CZ3-CB 4.28Å; W237-F324 HydrophobicContact CZ3-CD1 4.02Å; I238-F324 HydrophobicContact CD1-CE1 4.03Å; I238-F324 HydrophobicContact CD1-CZ 4.06Å; I321-F324 HydrophobicContact CB-CE1 4.46Å; I321-F324 HydrophobicContact CG1-CE1 3.83Å; I321-F324 HydrophobicContact CG1-CE2 4.46Å; I321-F324 HydrophobicContact CG1-CZ 3.63Å; I321-F324 PolarHBondContact O-N 2.72Å
325	S	98.7	Very high	98.4	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	-175.1	-169.8	0	0	0	0	111.9	V220 H221 I321 M322	V220-S325 WeakPolarHBondContact O-CA 3.28Å; H221-S325 PolarHBondContact CE1-OG 3.14Å; H221-S325 WeakPolarHBondContact ND1-CB 3.4Å; H221-S325 PolarHBondContact ND1-OG 3.39Å; I321-S325 VanDerWaalsContact O-CB 3.31Å; I321-S325 WeakPolarHBondContact O-CB 3.46Å; I321-S325 PolarHBondContact O-N 2.71Å; M322-S325 WeakPolarHBondContact CA-O 3.28Å
326	R	98.7	Very high	98.5	Very high	139 Å²	139	30.7 Å²	30.7	53%	0.525	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	-178.9	-177.2	176	62.6	94.6	2.5	111	W219 V220 V328	W219-R326 CarbonylContact C-O 3.56Å; W219-R326 WeakPolarHBondContact CA-O 3.32Å; V220-R326 PolarHBondContact N-O 3.48Å; V220-R326 PolarHBondContact O-N 2.67Å; R326-V328 HydrophobicContact CG-CG1 4.38Å; R326-V328 VanDerWaalsContact CZ-CG1 3.44Å; R326-V328 VanDerWaalsContact NH1-CG1 3.28Å
327	C	98.8	Very high	98.5	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.041	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.3	171.9	-170.8	0	0	0	0	109.9	K131 L132 K218 W219 T329	K131-C327 WeakPolarHBondContact O-CB 3.49Å; L132-C327 HydrophobicContact CD2-CB 3.76Å; K218-C327 WeakPolarHBondContact O-CA 3.36Å; W219-C327 HydrophobicContact CD2-CB 3.84Å; W219-C327 HydrophobicContact CE3-CB 3.73Å; W219-C327 HydrophobicContact CH2-CB 3.69Å; W219-C327 HydrophobicContact CZ2-CB 3.76Å; W219-C327 HydrophobicContact CZ3-CB 3.66Å; C327-T329 PolarHBondContact SG-O 2.85Å
328	V	98.5	Very high	98.4	Very high	38 Å²	38	24 Å²	24	23%	0.23	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-20.6	-178	-54.4	0	0	0	0	113	K218 V220 R326	K218-V328 HydrophobicContact CB-CG2 3.87Å; K218-V328 HydrophobicContact CD-CG2 3.73Å; K218-V328 HydrophobicContact CG-CG2 3.75Å; K218-V328 WeakPolarHBondContact O-CG2 3.05Å; K218-V328 PolarHBondContact O-N 2.83Å; V220-V328 HydrophobicContact CB-CG1 4.44Å; V220-V328 HydrophobicContact CG2-CG1 3.79Å; V220-V328 HydrophobicContact CG2-CG2 3.99Å; R326-V328 HydrophobicContact CG-CG1 4.38Å; R326-V328 VanDerWaalsContact CZ-CG1 3.44Å; R326-V328 VanDerWaalsContact NH1-CG1 3.28Å
329	T	98.5	Very high	98.2	Very high	30 Å²	30	29 Å²	29	18%	0.184	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151.9	169.8	72.7	0	0	0	0	110.8	T135 Q217 K218 C327	T135-T329 HydrophobicContact CG2-CG2 4.21Å; T135-T329 WeakPolarHBondContact OG1-CB 3.25Å; Q217-T329 WeakPolarHBondContact CA-O 3.22Å; Q217-T329 WeakPolarHBondContact CB-O 3.45Å; K218-T329 HydrophobicContact CB-CG2 4.15Å; K218-T329 WeakPolarHBondContact CB-OG1 3.49Å; K218-T329 HydrophobicContact CD-CG2 4.46Å; K218-T329 PolarHBondContact N-O 3.35Å; K218-T329 VanDerWaalsContact N-O 3.14Å; K218-T329 PolarHBondContact N-OG1 2.67Å; K218-T329 VanDerWaalsContact N-OG1 3.1Å; C327-T329 PolarHBondContact SG-O 2.85Å
330	G	98.4	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	130.8	-179.1	0	0	0	0	0	112	P133 T135 V216	P133-G330 VanDerWaalsContact O-CA 3.31Å; P133-G330 WeakPolarHBondContact O-CA 3.32Å; P133-G330 PolarHBondContact O-N 3.18Å; T135-G330 PolarHBondContact N-O 3.4Å; T135-G330 PolarHBondContact OG1-N 3.16Å; T135-G330 PolarHBondContact OG1-O 3.04Å; V216-G330 WeakPolarHBondContact O-CA 3.41Å
331	N	98.7	Very high	97.9	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.6	169.8	-160.7	24.8	0	0	0	111.8	G136 V216 W333	G136-N331 PolarHBondContact O-ND2 3.39Å; V216-N331 PolarHBondContact N-O 3.22Å; V216-N331 VanDerWaalsContact N-O 3.09Å; V216-N331 PolarHBondContact O-N 3.37Å; N331-W333 HydrophobicContact CB-CZ2 4.12Å
332	Y	98.8	Very high	97.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144	164.6	-69	-36.2	0	0	0	110.2	Y120 Y122 A214 L215 T299 F302 D303 L306	Y120-Y332 WeakPolarHBondContact O-CB 3.43Å; Y122-Y332 AromaticContact CD2-CD1 3.9Å; Y122-Y332 HydrophobicContact CD2-CD1 3.9Å; Y122-Y332 HydrophobicContact CD2-CD2 4.12Å; Y122-Y332 AromaticContact CD2-CE1 3.99Å; Y122-Y332 HydrophobicContact CD2-CE1 3.99Å; Y122-Y332 HydrophobicContact CD2-CE2 4.2Å; Y122-Y332 AromaticContact CD2-CG 3.93Å; Y122-Y332 HydrophobicContact CD2-CG 3.93Å; Y122-Y332 HydrophobicContact CE2-CE1 4.35Å; A214-Y332 CarbonylContact O-C 3.19Å; A214-Y332 WeakPolarHBondContact O-CA 3.35Å; L215-Y332 HydrophobicContact CB-CD1 4.08Å; L215-Y332 HydrophobicContact CB-CE1 4.02Å; L215-Y332 HydrophobicContact CD1-CD1 3.91Å; L215-Y332 HydrophobicContact CD1-CE1 3.71Å; L215-Y332 HydrophobicContact CD2-CE1 4.48Å; L215-Y332 HydrophobicContact CG-CE1 4.28Å; T299-Y332 HydrophobicContact CG2-CD2 4.23Å; T299-Y332 HydrophobicContact CG2-CG 4.47Å; F302-Y332 HydrophobicContact CB-CE1 3.6Å; F302-Y332 WeakPolarHBondContact CB-OH 3.32Å; F302-Y332 HydrophobicContact CD2-CD1 4.03Å; F302-Y332 AromaticContact CD2-CE1 3.68Å; F302-Y332 HydrophobicContact CD2-CE1 3.68Å; F302-Y332 AromaticContact CG-CE1 3.94Å; F302-Y332 HydrophobicContact CG-CE1 3.94Å; D303-Y332 PolarHBondContact OD1-OH 2.96Å; L306-Y332 HydrophobicContact CD1-CE1 4.35Å; L306-Y332 WeakPolarHBondContact CD1-OH 3.27Å
333	W	98.9	Very high	97.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.2	-178.8	-55.1	87.2	0	0	0	109.5	T57 G137 F140 Y213 A214 V216 N331 F335	T57-W333 HydrophobicContact CG2-CH2 3.84Å; T57-W333 HydrophobicContact CG2-CZ2 4.06Å; G137-W333 VanDerWaalsContact C-CH2 3.45Å; F140-W333 HydrophobicContact CB-CD2 3.59Å; F140-W333 HydrophobicContact CB-CE3 3.39Å; F140-W333 HydrophobicContact CB-CG 4.37Å; F140-W333 HydrophobicContact CB-CH2 3.73Å; F140-W333 HydrophobicContact CB-CZ2 3.91Å; F140-W333 HydrophobicContact CB-CZ3 3.48Å; F140-W333 VanDerWaalsContact CB-CZ3 3.48Å; F140-W333 HydrophobicContact CD2-CH2 4.45Å; F140-W333 HydrophobicContact CD2-CZ2 4.05Å; F140-W333 HydrophobicContact CG-CD2 4.17Å; F140-W333 HydrophobicContact CG-CE3 4.42Å; F140-W333 HydrophobicContact CG-CH2 4.48Å; F140-W333 HydrophobicContact CG-CZ2 4.23Å; Y213-W333 CarbonylContact C-O 3.57Å; Y213-W333 WeakPolarHBondContact CA-O 3.37Å; A214-W333 HydrophobicContact CB-CB 4.29Å; A214-W333 PolarHBondContact N-O 2.8Å; A214-W333 PolarHBondContact O-N 3.03Å; V216-W333 VanDerWaalsContact CG2-CD1 3.49Å; V216-W333 HydrophobicContact CG2-CG 4.48Å; N331-W333 HydrophobicContact CB-CZ2 4.12Å; W333-F335 HydrophobicContact CB-CD2 4.29Å; W333-F335 HydrophobicContact CB-CE2 3.99Å
334	Y	98.8	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.9	167.3	-176.9	-104.8	0	0	0	109.9	G99 F100 F105 I117 Y120 T209 G211 Y213 P336 E340	G99-Y334 CarbonylContact C-O 3.57Å; G99-Y334 VanDerWaalsContact CA-O 3.23Å; G99-Y334 WeakPolarHBondContact CA-O 3.48Å; F100-Y334 PolarHBondContact N-O 3.33Å; F100-Y334 PolarHBondContact O-N 3.05Å; F105-Y334 HydrophobicContact CE1-CD1 4.15Å; F105-Y334 HydrophobicContact CE2-CD1 4.11Å; F105-Y334 AromaticContact CZ-CD1 3.74Å; F105-Y334 HydrophobicContact CZ-CD1 3.74Å; F105-Y334 HydrophobicContact CZ-CE1 4.03Å; I117-Y334 HydrophobicContact CD1-CD1 4.22Å; I117-Y334 HydrophobicContact CD1-CE1 3.45Å; I117-Y334 VanDerWaalsContact CD1-CE1 3.45Å; I117-Y334 HydrophobicContact CG1-CE1 3.98Å; I117-Y334 HydrophobicContact CG1-CE2 4.25Å; I117-Y334 HydrophobicContact CG2-CD1 4.34Å; I117-Y334 HydrophobicContact CG2-CD2 4.11Å; I117-Y334 HydrophobicContact CG2-CE1 4.32Å; I117-Y334 HydrophobicContact CG2-CE2 4.08Å; I117-Y334 HydrophobicContact CG2-CG 4.24Å; Y120-Y334 HydrophobicContact CE1-CG 4.24Å; Y120-Y334 WeakPolarHBondContact OH-CB 3.37Å; T209-Y334 WeakPolarHBondContact CB-OH 3.43Å; T209-Y334 PolarHBondContact OG1-OH 3.12Å; G211-Y334 WeakPolarHBondContact CA-OH 3.36Å; Y213-Y334 AromaticContact CD1-CD2 3.85Å; Y213-Y334 HydrophobicContact CD1-CD2 3.85Å; Y213-Y334 HydrophobicContact CD2-CD2 4.49Å; Y213-Y334 AromaticContact CE1-CD2 3.72Å; Y213-Y334 HydrophobicContact CE1-CD2 3.72Å; Y213-Y334 HydrophobicContact CE1-CE2 4.29Å; Y213-Y334 HydrophobicContact CE2-CD2 4.37Å; Y213-Y334 HydrophobicContact CE2-CE2 4.27Å; Y213-Y334 HydrophobicContact CG-CD2 4.24Å; Y334-P336 HydrophobicContact CD1-CG 4.04Å; Y334-P336 HydrophobicContact CE1-CB 4.09Å; Y334-P336 HydrophobicContact CE1-CG 4.05Å; Y334-P336 WeakPolarHBondContact O-CD 3.09Å; Y334-E340 PolarHBondContact OH-OE2 2.68Å
335	F	98.8	Very high	97	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	103.8	173.2	-76.8	-112.1	0	0	0	107.9	V45 F140 H142 G211 S212 A214 Y295 W333	V45-F335 HydrophobicContact CG2-CB 4.21Å; V45-F335 HydrophobicContact CG2-CD1 4.26Å; V45-F335 HydrophobicContact CG2-CG 4.45Å; F140-F335 HydrophobicContact CD1-CE2 4.35Å; F140-F335 AromaticContact CD1-CZ 3.84Å; F140-F335 HydrophobicContact CD1-CZ 3.84Å; F140-F335 HydrophobicContact CE1-CZ 4.37Å; H142-F335 HydrophobicContact CB-CE1 4.32Å; H142-F335 HydrophobicContact CB-CZ 4.27Å; G211-F335 CarbonylContact C-O 3.52Å; G211-F335 WeakPolarHBondContact CA-O 3.37Å; S212-F335 PolarHBondContact N-O 2.8Å; S212-F335 PolarHBondContact O-N 3.23Å; A214-F335 HydrophobicContact CB-CD2 3.76Å; A214-F335 HydrophobicContact CB-CE2 3.52Å; Y295-F335 HydrophobicContact CE1-CD1 4.04Å; Y295-F335 AromaticContact CE1-CD2 3.76Å; Y295-F335 HydrophobicContact CE1-CD2 3.76Å; Y295-F335 HydrophobicContact CE1-CE1 4.02Å; Y295-F335 AromaticContact CE1-CE2 3.77Å; Y295-F335 HydrophobicContact CE1-CE2 3.77Å; Y295-F335 AromaticContact CE1-CG 3.9Å; Y295-F335 HydrophobicContact CE1-CG 3.9Å; Y295-F335 AromaticContact CE1-CZ 3.87Å; Y295-F335 HydrophobicContact CE1-CZ 3.87Å; Y295-F335 WeakPolarHBondContact OH-CE1 3.25Å; Y295-F335 WeakPolarHBondContact OH-CZ 3.32Å; W333-F335 HydrophobicContact CB-CD2 4.29Å; W333-F335 HydrophobicContact CB-CE2 3.99Å
336	P	98.1	Very high	96.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.186	C	C	.	.			trans	-62	155.9	-179	-22.3	35	0	0	0	111.8	Q42 F100 F105 Y334 E340 F341 L344	Q42-P336 WeakPolarHBondContact CG-O 3.02Å; Q42-P336 PolarHBondContact NE2-O 3.46Å; F100-P336 HydrophobicContact CD2-CG 3.87Å; F100-P336 HydrophobicContact CE2-CG 3.87Å; F105-P336 HydrophobicContact CE2-CG 4.35Å; Y334-P336 HydrophobicContact CD1-CG 4.04Å; Y334-P336 HydrophobicContact CE1-CB 4.09Å; Y334-P336 HydrophobicContact CE1-CG 4.05Å; Y334-P336 WeakPolarHBondContact O-CD 3.09Å; P336-E340 HydrophobicContact CB-CB 3.9Å; P336-E340 HydrophobicContact CB-CG 3.89Å; P336-E340 WeakPolarHBondContact CB-OE2 3.33Å; P336-F341 HydrophobicContact CB-CB 4.16Å; P336-L344 HydrophobicContact CB-CD1 4.19Å; P336-L344 HydrophobicContact CG-CD1 3.68Å
337	G	96.9	Very high	94.9	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	20%	0.195	C	C	.	.			trans	-59.1	155.1	164.6	0	0	0	0	0	110.3	G210 L339 E340 F341	G210-G337 WeakPolarHBondContact O-CA 3.26Å; G337-L339 VanDerWaalsContact C-N 3.28Å; G337-L339 PolarHBondContact O-N 3.31Å; G337-E340 PolarHBondContact O-N 3.47Å; G337-F341 PolarHBondContact O-N 3.27Å
338	L	95.4	Very high	94.7	Very high	67 Å²	67	42.7 Å²	42.7	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-56.2	-41.3	-170.7	-176	61.6	0	0	0	112.9	V40 F341 N342	V40-L338 HydrophobicContact CB-CB 4.26Å; V40-L338 HydrophobicContact CG1-CB 4.17Å; V40-L338 HydrophobicContact CG1-CD2 3.82Å; V40-L338 VanDerWaalsContact O-CB 3.28Å; V40-L338 WeakPolarHBondContact O-CB 3.41Å; V40-L338 PolarHBondContact O-N 2.96Å; L338-F341 PolarHBondContact O-N 3.39Å; L338-N342 WeakPolarHBondContact O-CB 3.33Å; L338-N342 VanDerWaalsContact O-CG 3.24Å; L338-N342 PolarHBondContact O-N 2.84Å; L338-N342 PolarHBondContact O-ND2 3.02Å
339	L	94	Very high	94.5	Very high	128 Å²	128	42.9 Å²	42.9	67%	0.67	20%	0.201	S	C	*	.	H	α-helix	trans	-63.7	-44.9	175.9	-179.5	62.2	0	0	0	112	G337 N342 L343	G337-L339 VanDerWaalsContact C-N 3.28Å; G337-L339 PolarHBondContact O-N 3.31Å; L339-N342 PolarHBondContact O-N 2.7Å; L339-L343 HydrophobicContact CG-CD1 4.39Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 3.21Å; L339-L343 VanDerWaalsContact O-N 3.08Å
340	E	94.8	Very high	94.3	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-43	177.9	-177	178.3	-150.6	0	0	111.1	R115 I117 Y334 P336 G337 N342 L343 L344	R115-E340 IonicContact CZ-OE1 3.22Å; R115-E340 VanDerWaalsContact CZ-OE1 3.22Å; R115-E340 IonicContact NE-OE1 2.87Å; R115-E340 PolarHBondContact NE-OE1 3.36Å; R115-E340 IonicContact NH2-OE1 2.75Å; R115-E340 PolarHBondContact NH2-OE1 3.03Å; I117-E340 VanDerWaalsContact CD1-OE1 3.27Å; I117-E340 WeakPolarHBondContact CD1-OE1 3.45Å; Y334-E340 PolarHBondContact OH-OE2 2.68Å; P336-E340 HydrophobicContact CB-CB 3.9Å; P336-E340 HydrophobicContact CB-CG 3.89Å; P336-E340 WeakPolarHBondContact CB-OE2 3.33Å; G337-E340 PolarHBondContact O-N 3.47Å; E340-N342 PolarHBondContact O-N 3.47Å; E340-L343 PolarHBondContact O-N 3.04Å; E340-L344 HydrophobicContact CG-CD1 3.96Å; E340-L344 HydrophobicContact CG-CG 4.34Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.33Å; E340-L344 PolarHBondContact O-N 2.7Å
341	F	96.1	Very high	94	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-50.6	175.3	173.9	-106.1	0	0	0	111.1	I72 V98 F100 P336 G337 L338 L343 L344 V345	I72-F341 HydrophobicContact CG2-CE2 3.89Å; I72-F341 HydrophobicContact CG2-CZ 3.84Å; V98-F341 HydrophobicContact CB-CD2 4.26Å; V98-F341 HydrophobicContact CB-CE2 3.55Å; V98-F341 HydrophobicContact CB-CZ 4.07Å; V98-F341 HydrophobicContact CG1-CE2 3.99Å; V98-F341 HydrophobicContact CG2-CE2 3.89Å; V98-F341 HydrophobicContact CG2-CZ 3.86Å; F100-F341 HydrophobicContact CE2-CD2 4.15Å; F100-F341 HydrophobicContact CE2-CE2 4.47Å; F100-F341 HydrophobicContact CZ-CD2 4.3Å; F100-F341 HydrophobicContact CZ-CE2 4.21Å; P336-F341 HydrophobicContact CB-CB 4.16Å; G337-F341 PolarHBondContact O-N 3.27Å; L338-F341 PolarHBondContact O-N 3.39Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.27Å; F341-L344 WeakPolarHBondContact O-CB 3.27Å; F341-L344 PolarHBondContact O-N 3.05Å; F341-L344 VanDerWaalsContact O-N 3.1Å; F341-V345 HydrophobicContact CD2-CG1 4.14Å; F341-V345 HydrophobicContact CE1-CG2 4.31Å; F341-V345 HydrophobicContact CE2-CG1 3.65Å; F341-V345 HydrophobicContact CZ-CG1 3.94Å; F341-V345 HydrophobicContact CZ-CG2 4.36Å; F341-V345 WeakPolarHBondContact O-CG2 3.36Å; F341-V345 PolarHBondContact O-N 3.18Å
342	N	94.8	Very high	93.7	Very high	79 Å²	79	48.7 Å²	48.7	42%	0.422	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-37.1	179.3	-72.9	-19.4	0	0	0	112.6	L338 L339 E340 R346	L338-N342 WeakPolarHBondContact O-CB 3.33Å; L338-N342 VanDerWaalsContact O-CG 3.24Å; L338-N342 PolarHBondContact O-N 2.84Å; L338-N342 PolarHBondContact O-ND2 3.02Å; L339-N342 PolarHBondContact O-N 2.7Å; E340-N342 PolarHBondContact O-N 3.47Å; N342-R346 WeakPolarHBondContact O-CB 3.38Å; N342-R346 PolarHBondContact O-N 2.96Å
343	L	93.3	Very high	93.4	Very high	92 Å²	92	51.8 Å²	51.8	48%	0.482	24%	0.24	S	C	.	.	H	α-helix	trans	-69.3	-38.4	175.1	-70.9	172.2	0	0	0	112.5	L339 E340 F341	L339-L343 HydrophobicContact CG-CD1 4.39Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 3.21Å; L339-L343 VanDerWaalsContact O-N 3.08Å; E340-L343 PolarHBondContact O-N 3.04Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 3.27Å
344	L	93.6	Very high	93	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178.7	-73.3	166	0	0	0	111.9	L69 F100 F105 I108 P336 E340 F341	L69-L344 WeakPolarHBondContact CD1-O 3.05Å; F100-L344 HydrophobicContact CE2-CD1 4.16Å; F105-L344 HydrophobicContact CE2-CD1 3.75Å; I108-L344 HydrophobicContact CD1-CD2 4.34Å; I108-L344 HydrophobicContact CG1-CD2 4.42Å; P336-L344 HydrophobicContact CB-CD1 4.19Å; P336-L344 HydrophobicContact CG-CD1 3.68Å; E340-L344 HydrophobicContact CG-CD1 3.96Å; E340-L344 HydrophobicContact CG-CG 4.34Å; E340-L344 VanDerWaalsContact O-CG 3.28Å; E340-L344 WeakPolarHBondContact O-CG 3.33Å; E340-L344 PolarHBondContact O-N 2.7Å; F341-L344 WeakPolarHBondContact O-CB 3.27Å; F341-L344 PolarHBondContact O-N 3.05Å; F341-L344 VanDerWaalsContact O-N 3.1Å
345	V	93.8	Very high	92.6	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.03	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	1.5	-175.8	-53.6	0	0	0	0	113.8	L69 I72 K73 F341 Y347	L69-V345 HydrophobicContact CB-CG1 4.46Å; L69-V345 HydrophobicContact CD1-CG1 4.35Å; I72-V345 HydrophobicContact CG2-CG1 4.05Å; K73-V345 HydrophobicContact CB-CB 4.1Å; K73-V345 HydrophobicContact CB-CG2 4.23Å; K73-V345 WeakPolarHBondContact CB-O 3.3Å; K73-V345 VanDerWaalsContact CD-O 3.23Å; K73-V345 WeakPolarHBondContact CD-O 3.22Å; K73-V345 HydrophobicContact CG-CG2 4.34Å; K73-V345 VanDerWaalsContact CG-O 3.28Å; K73-V345 WeakPolarHBondContact CG-O 3.27Å; F341-V345 HydrophobicContact CD2-CG1 4.14Å; F341-V345 HydrophobicContact CE1-CG2 4.31Å; F341-V345 HydrophobicContact CE2-CG1 3.65Å; F341-V345 HydrophobicContact CZ-CG1 3.94Å; F341-V345 HydrophobicContact CZ-CG2 4.36Å; F341-V345 WeakPolarHBondContact O-CG2 3.36Å; F341-V345 PolarHBondContact O-N 3.18Å; V345-Y347 VanDerWaalsContact C-N 3.26Å; V345-Y347 PolarHBondContact O-N 3.45Å
346	R	86.8	Confident	92	Very high	175 Å²	175	64.3 Å²	64.3	66%	0.66	30%	0.298	S	S	*	.			trans	-63.2	-29.3	-174.4	-167.5	173.7	179.4	178.1	0.7	113.9	K73 N342	K73-R346 PolarHBondContact NZ-O 2.8Å; N342-R346 WeakPolarHBondContact O-CB 3.38Å; N342-R346 PolarHBondContact O-N 2.96Å
347	Y	67	Low	91.5	Very high	180 Å²	180	70.1 Å²	70.1	71%	0.706	32%	0.324	S	S	*	.			trans	-77.3	0	-167.1	-66.3	-88.2	0	0	0	114.6	R66 V345	R66-Y347 VanDerWaalsContact NH1-CD2 3.34Å; V345-Y347 VanDerWaalsContact C-N 3.26Å; V345-Y347 PolarHBondContact O-N 3.45Å

Retrieved 347 of 347 residues in 320 ms (Link to these results)

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