A0A087XYN5_POEFO Loading...

3'-phosphoadenosine 5'-phosphosulfate synthase 1

AlphaFold DB (A0A3B3U6Z6), UniProt , Accession A0A087XYN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 624 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	33.2	Very low	30.5	Very low	245 Å²	245	163.5 Å²	163.5	100%	1.207	85%	0.853	S	S	*	*				0	119.9	0	-85.9	169	178.1	0	0	107.7
2	E	29.7	Very low	30.5	Very low	172 Å²	172	166.6 Å²	166.6	80%	0.804	85%	0.854	S	S	*	*			trans	59.4	94.6	161.3	-63.4	-175.5	169.9	0	0	120.2
3	T	28.3	Very low	30.6	Very low	140 Å²	140	165.9 Å²	165.9	86%	0.859	85%	0.852	S	S	*	*			trans	-58.4	117.7	151.9	46.9	0	0	0	0	111.2	G5	T3-G5 PolarHBondContact O-N 3.38Å
4	H	30.7	Very low	30.9	Very low	176 Å²	176	162 Å²	162	82%	0.815	85%	0.847	S	S	*	*			trans	-85.5	103.2	163.3	-81.1	-5.2	0	0	0	109.8	N6	H4-N6 PolarHBondContact O-N 3.28Å
5	G	28.2	Very low	31.4	Very low	75 Å²	75	159.7 Å²	159.7	77%	0.773	84%	0.836	S	S	*	*			trans	-66.6	119.7	172.3	0	0	0	0	0	110.6	T3 S7	T3-G5 PolarHBondContact O-N 3.38Å; G5-S7 PolarHBondContact O-N 3.32Å
6	N	30.2	Very low	32	Very low	155 Å²	155	157.8 Å²	157.8	83%	0.829	83%	0.833	S	S	*	*			trans	-82.1	101.4	172	-152.2	3.4	0	0	0	108.3	H4 N8	H4-N6 PolarHBondContact O-N 3.28Å; N6-N8 PolarHBondContact O-N 3.44Å; N6-N8 VanDerWaalsContact O-N 3.11Å
7	S	30.3	Very low	32.8	Very low	91 Å²	91	158.2 Å²	158.2	64%	0.636	83%	0.834	S	S	*	*			trans	-69.8	105.1	176.7	74.7	0	0	0	0	109.2	G5 K9	G5-S7 PolarHBondContact O-N 3.32Å; S7-K9 VanDerWaalsContact C-N 3.31Å; S7-K9 PolarHBondContact O-N 3.03Å
8	N	32.2	Very low	33.3	Very low	157 Å²	157	158.3 Å²	158.3	84%	0.84	83%	0.829	S	S	*	*			trans	-65.3	92.8	166.7	-94.8	-17.9	0	0	0	109.1	N6 K10	N6-N8 PolarHBondContact O-N 3.44Å; N6-N8 VanDerWaalsContact O-N 3.11Å; N8-K10 PolarHBondContact O-N 2.74Å
9	K	32.3	Very low	33.6	Very low	191 Å²	191	158.4 Å²	158.4	83%	0.83	83%	0.831	S	S	*	*			trans	-63.9	113.8	165.4	-83.6	-179.2	175.7	175.8	0	107.9	S7 Q11	S7-K9 VanDerWaalsContact C-N 3.31Å; S7-K9 PolarHBondContact O-N 3.03Å; K9-Q11 PolarHBondContact O-N 3.22Å
10	K	31.3	Very low	34	Very low	205 Å²	205	159.5 Å²	159.5	89%	0.891	82%	0.823	S	S	*	*			trans	-55.3	106.3	167.2	-72.7	178.2	175.6	178.7	0	108.9	N8 K12	N8-K10 PolarHBondContact O-N 2.74Å; K10-K12 PolarHBondContact O-N 2.62Å
11	Q	29.2	Very low	34.6	Very low	192 Å²	192	155.6 Å²	155.6	90%	0.897	82%	0.822	S	S	*	*			trans	-73.6	109.2	168.6	-118.5	175.2	-7.7	0	0	108	K9 L13	K9-Q11 PolarHBondContact O-N 3.22Å; Q11-L13 PolarHBondContact O-N 3.27Å
12	K	30.2	Very low	35.2	Very low	200 Å²	200	150.5 Å²	150.5	87%	0.87	80%	0.797	S	S	*	*			trans	-74.2	115.1	164.2	-92.4	-177	172.6	-178.7	0	107.4	K10 S14	K10-K12 PolarHBondContact O-N 2.62Å; K12-S14 PolarHBondContact O-N 3.44Å
13	L	32.5	Very low	36	Very low	158 Å²	158	152 Å²	152	83%	0.827	80%	0.804	S	S	*	*			trans	-61.5	112.6	166.6	-79.3	153.4	0	0	0	108.6	Q11 N15	Q11-L13 PolarHBondContact O-N 3.27Å; L13-N15 PolarHBondContact O-N 3.38Å
14	S	34.9	Very low	37.4	Very low	111 Å²	111	154.2 Å²	154.2	78%	0.776	80%	0.797	S	S	*	*			trans	-79	99	171.6	59.5	0	0	0	0	109	K12	K12-S14 PolarHBondContact O-N 3.44Å
15	N	37.8	Very low	38.9	Very low	127 Å²	127	149.6 Å²	149.6	68%	0.679	79%	0.789	S	S	*	*			trans	-93.2	108.3	170.3	-76.5	-15.2	0	0	0	109.1	L13	L13-N15 PolarHBondContact O-N 3.38Å
16	T	41.5	Very low	40.7	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	79%	0.79	S	S	*	*			trans	-103.4	110.6	154.9	-35	0	0	0	0	105.4
17	I	44.7	Very low	42.7	Very low	165 Å²	165	151.8 Å²	151.8	85%	0.846	79%	0.788	S	S	*	*	S	Bend	trans	177.3	139.3	155.3	-84.5	144.6	0	0	0	108.8
18	E	42	Very low	44.6	Very low	159 Å²	159	153 Å²	153	74%	0.743	79%	0.791	S	S	*	*			trans	-7.8	136.2	-177.5	-68.4	175.5	165	0	0	121.9
19	N	39	Very low	46.1	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	79%	0.788	S	S	*	*			trans	-96.1	105.8	-168.8	-156.4	13.6	0	0	0	111.3	G21	N19-G21 PolarHBondContact O-N 3.33Å
20	W	41.4	Very low	47.9	Very low	179 Å²	179	151.8 Å²	151.8	68%	0.678	79%	0.785	S	S	*	*			trans	-92.3	27.2	-175.1	-87.2	55.4	0	0	0	115.2	M22	W20-M22 PolarHBondContact O-N 3.14Å
21	G	46.4	Very low	49.7	Very low	78 Å²	78	149.2 Å²	149.2	80%	0.804	78%	0.776	S	S	*	*	S	Bend	trans	64.2	4.4	174.6	0	0	0	0	0	116.5	N19	N19-G21 PolarHBondContact O-N 3.33Å
22	M	47.3	Very low	51.7	Low	138 Å²	138	143 Å²	143	68%	0.68	76%	0.758	S	S	*	*			trans	-84.5	119.8	172.3	-80.5	167.4	65.7	0	0	110.6	W20 R24	W20-M22 PolarHBondContact O-N 3.14Å; M22-R24 PolarHBondContact O-N 2.87Å
23	Q	46.2	Very low	53.9	Low	204 Å²	204	139.5 Å²	139.5	95%	0.953	74%	0.744	S	S	*	*			trans	-60.9	106.7	163.7	-94.6	-176.6	-14.9	0	0	109
24	R	57.6	Low	55.7	Low	187 Å²	187	140.7 Å²	140.7	71%	0.706	75%	0.745	S	S	*	*			trans	-82.1	136.2	172.9	-67.7	-175.1	179.3	177.2	1.5	109.4	M22 T26	M22-R24 PolarHBondContact O-N 2.87Å; R24-T26 PolarHBondContact O-N 3.4Å; R24-T26 VanDerWaalsContact O-N 3.13Å
25	A	61	Low	58.4	Low	79 Å²	79	138.9 Å²	138.9	65%	0.653	73%	0.73	S	S	*	*			trans	-61.1	116.6	175.4	0	0	0	0	0	110	N27 V28	A25-N27 VanDerWaalsContact C-N 3.27Å; A25-N27 PolarHBondContact O-N 3.09Å; A25-V28 HydrophobicContact CB-CG2 3.63Å
26	T	66.3	Low	61.1	Low	128 Å²	128	135.6 Å²	135.6	79%	0.785	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-7.3	-176.4	55.3	0	0	0	0	113.6	R24	R24-T26 PolarHBondContact O-N 3.4Å; R24-T26 VanDerWaalsContact O-N 3.13Å
27	N	72.9	Confident	63.6	Low	147 Å²	147	132.7 Å²	132.7	79%	0.786	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	29.5	-167.9	-60	-18.7	0	0	0	113	A25	A25-N27 VanDerWaalsContact C-N 3.27Å; A25-N27 PolarHBondContact O-N 3.09Å
28	V	70.2	Confident	65.8	Low	117 Å²	117	129.8 Å²	129.8	71%	0.709	68%	0.677	S	S	*	*			trans	-99.8	123.4	177.8	-175.3	0	0	0	0	109.9	A25	A25-V28 HydrophobicContact CB-CG2 3.63Å
29	T	63.6	Low	68.3	Low	127 Å²	127	129 Å²	129	78%	0.779	67%	0.671	S	S	*	*			trans	-111	130.2	173	52	0	0	0	0	109.9	Q31	T29-Q31 PolarHBondContact O-N 3.32Å
30	Y	69.2	Low	70.9	Confident	195 Å²	195	123.4 Å²	123.4	77%	0.765	64%	0.638	S	S	*	*			trans	-63	125.4	172.5	177.7	-100.3	0	0	0	110.2	A32	Y30-A32 HydrophobicContact CE1-CB 3.98Å
31	Q	69.2	Low	73.4	Confident	151 Å²	151	115 Å²	115	71%	0.706	61%	0.607	S	S	*	*			trans	-103.6	114.4	171.4	-175	173.3	0.6	0	0	108.4	T29	T29-Q31 PolarHBondContact O-N 3.32Å
32	A	71.4	Confident	75.6	Confident	63 Å²	63	116.1 Å²	116.1	52%	0.521	59%	0.591	S	S	.	*			trans	-63.7	138.8	174.5	0	0	0	0	0	110.3	Y30	Y30-A32 HydrophobicContact CE1-CB 3.98Å
33	H	75.8	Confident	77.9	Confident	125 Å²	125	115.2 Å²	115.2	58%	0.579	59%	0.593	S	S	*	*			trans	-62.9	136.3	174.2	-69.7	-84	0	0	0	110.8	V35 D122	H33-V35 VanDerWaalsContact C-N 3.28Å; H33-V35 PolarHBondContact O-N 3.06Å; H33-D122 IonicContact NE2-OD2 3.06Å
34	H	71.1	Confident	80.2	Confident	183 Å²	183	106.9 Å²	106.9	85%	0.847	56%	0.556	S	S	*	*	S	Bend	trans	-67.4	-27.8	175.6	-71	-67.7	0	0	0	113.1
35	V	91.5	Very high	81.9	Confident	73 Å²	73	99.8 Å²	99.8	44%	0.442	54%	0.541	S	S	.	.	S	Bend	trans	-103.3	120	177	-169.2	0	0	0	0	109.1	H33 K39 R40	H33-V35 VanDerWaalsContact C-N 3.28Å; H33-V35 PolarHBondContact O-N 3.06Å; V35-K39 HydrophobicContact CG1-CB 3.61Å; V35-K39 HydrophobicContact CG1-CD 4.39Å; V35-R40 HydrophobicContact CB-CG 4.1Å; V35-R40 HydrophobicContact CG1-CG 3.63Å; V35-R40 PolarHBondContact O-NE 3.41Å
36	S	93.8	Very high	83.3	Confident	59 Å²	59	102.3 Å²	102.3	41%	0.413	55%	0.549	S	S	.	.			trans	-66.6	156.9	-179.7	67.5	0	0	0	0	112.2	N38 K39 R40	S36-N38 PolarHBondContact O-N 3.5Å; S36-K39 PolarHBondContact O-N 3.42Å; S36-K39 VanDerWaalsContact O-N 3.12Å; S36-K39 PolarHBondContact OG-N 2.89Å; S36-R40 PolarHBondContact O-N 3Å
37	R	94.4	Very high	84.4	Confident	69 Å²	69	99 Å²	99	26%	0.26	52%	0.522	S	S	.	.	H	α-helix	trans	-51.4	-42.5	172.6	-77.5	179	-176.5	164.1	4.9	112.5	K39 R40 G41 F50 D122 A149 G150	R37-K39 PolarHBondContact O-N 3.08Å; R37-R40 PolarHBondContact O-N 3.33Å; R37-G41 PolarHBondContact O-N 2.91Å; R37-F50 HydrophobicContact CB-CD1 4.35Å; R37-F50 HydrophobicContact CB-CD2 3.66Å; R37-F50 HydrophobicContact CB-CE1 4.47Å; R37-F50 HydrophobicContact CB-CE2 3.77Å; R37-F50 HydrophobicContact CB-CG 3.95Å; R37-F50 HydrophobicContact CB-CZ 4.19Å; R37-F50 HydrophobicContact CG-CD2 4.17Å; R37-F50 HydrophobicContact CG-CE1 4.45Å; R37-F50 HydrophobicContact CG-CE2 3.73Å; R37-F50 HydrophobicContact CG-CZ 3.9Å; R37-F50 VanDerWaalsContact O-CD2 3.29Å; R37-F50 WeakPolarHBondContact O-CD2 3.4Å; R37-D122 IonicContact CZ-OD1 2.77Å; R37-D122 IonicContact NE-OD1 3.31Å; R37-D122 PolarHBondContact NE-OD1 3.13Å; R37-D122 IonicContact NH2-OD1 3.5Å; R37-D122 PolarHBondContact NH2-OD1 2.96Å; R37-A149 VanDerWaalsContact CZ-O 3.23Å; R37-A149 PolarHBondContact NH1-O 2.96Å; R37-A149 PolarHBondContact NH2-O 3.35Å; R37-G150 PolarHBondContact NH1-O 3.07Å; R37-G150 VanDerWaalsContact NH1-O 3.08Å
38	N	91.8	Very high	85.1	Confident	104 Å²	104	94.4 Å²	94.4	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-57.1	-52	177	-176.2	-55.5	0	0	0	111.3	S36 R40 G41 Q42	S36-N38 PolarHBondContact O-N 3.5Å; N38-R40 PolarHBondContact O-N 3.27Å; N38-G41 PolarHBondContact O-N 3.37Å; N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 3.35Å; N38-Q42 VanDerWaalsContact O-N 3.15Å
39	K	93.4	Very high	86.2	Confident	141 Å²	141	90 Å²	90	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-63.6	-41	179.9	-73.9	-176.2	178.7	-175.7	0	112.7	V35 S36 R37 Q42	V35-K39 HydrophobicContact CG1-CB 3.61Å; V35-K39 HydrophobicContact CG1-CD 4.39Å; S36-K39 PolarHBondContact O-N 3.42Å; S36-K39 VanDerWaalsContact O-N 3.12Å; S36-K39 PolarHBondContact OG-N 2.89Å; R37-K39 PolarHBondContact O-N 3.08Å; K39-Q42 PolarHBondContact O-N 2.96Å
40	R	95.1	Very high	87.7	Confident	45 Å²	45	86.8 Å²	86.8	17%	0.17	46%	0.463	C	S	.	.	H	α-helix	trans	-64.2	-41.9	175	-67.8	-171.8	-72.6	96.1	-14.9	111.2	V35 S36 R37 N38 Q42 V43 V44 D122 A123	V35-R40 HydrophobicContact CB-CG 4.1Å; V35-R40 HydrophobicContact CG1-CG 3.63Å; V35-R40 PolarHBondContact O-NE 3.41Å; S36-R40 PolarHBondContact O-N 3Å; R37-R40 PolarHBondContact O-N 3.33Å; N38-R40 PolarHBondContact O-N 3.27Å; R40-Q42 PolarHBondContact O-N 2.85Å; R40-V43 WeakPolarHBondContact O-CG2 3.43Å; R40-V43 PolarHBondContact O-N 3.43Å; R40-V43 VanDerWaalsContact O-N 3.07Å; R40-V44 WeakPolarHBondContact O-CG2 3.36Å; R40-V44 PolarHBondContact O-N 2.88Å; R40-D122 PolarHBondContact NH1-O 3.45Å; R40-D122 PolarHBondContact NH2-O 3.42Å; R40-D122 IonicContact NH2-OD1 3.7Å; R40-D122 IonicContact NH2-OD2 3.32Å; R40-D122 PolarHBondContact NH2-OD2 3.17Å; R40-A123 PolarHBondContact NH1-O 2.63Å
41	G	93.3	Very high	89.1	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.01	43%	0.429	C	S	.	.	H	α-helix	trans	-59.3	-31.9	176.8	0	0	0	0	0	113.7	R37 N38 V43 V44	R37-G41 PolarHBondContact O-N 2.91Å; N38-G41 PolarHBondContact O-N 3.37Å; G41-V43 PolarHBondContact O-N 3.13Å; G41-V44 PolarHBondContact O-N 3.14Å
42	Q	93.1	Very high	90.4	Very high	102 Å²	102	71 Å²	71	48%	0.477	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.4	176.3	-60.9	-51.8	-38.9	0	0	114.4	N38 K39 R40	N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 3.35Å; N38-Q42 VanDerWaalsContact O-N 3.15Å; K39-Q42 PolarHBondContact O-N 2.96Å; R40-Q42 PolarHBondContact O-N 2.85Å
43	V	94.7	Very high	91.7	Very high	119 Å²	119	68 Å²	68	72%	0.721	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	0.5	-179	-59.5	0	0	0	0	113.2	R40 G41	R40-V43 WeakPolarHBondContact O-CG2 3.43Å; R40-V43 PolarHBondContact O-N 3.43Å; R40-V43 VanDerWaalsContact O-N 3.07Å; G41-V43 PolarHBondContact O-N 3.13Å
44	V	94.4	Very high	92.8	Very high	30 Å²	30	62 Å²	62	18%	0.182	34%	0.343	C	S	.	.	S	Bend	trans	-95.8	96.5	176.2	174.5	0	0	0	0	108.5	R40 G41 P82 L125	R40-V44 WeakPolarHBondContact O-CG2 3.36Å; R40-V44 PolarHBondContact O-N 2.88Å; G41-V44 PolarHBondContact O-N 3.14Å; V44-P82 HydrophobicContact CG1-CB 4.08Å; V44-P82 HydrophobicContact CG1-CG 3.9Å; V44-L125 HydrophobicContact CG1-CD1 4.34Å
45	G	93.1	Very high	94.1	Very high	38 Å²	38	53.4 Å²	53.4	39%	0.392	30%	0.303	S	S	.	.	S	Bend	trans	84.7	-168.6	-175.4	0	0	0	0	0	112.9
46	T	90.7	Very high	94.5	Very high	132 Å²	132	49.9 Å²	49.9	81%	0.81	28%	0.282	S	S	*	.	S	Bend	trans	-99.2	-19.2	-178.8	51.9	0	0	0	0	113.3
47	R	89.7	Confident	94.7	Very high	58 Å²	58	47.1 Å²	47.1	22%	0.219	26%	0.263	C	S	.	.	S	Bend	trans	-86.2	121.7	178.6	-63	-179.1	178.1	-90.8	5.1	110.1	R51 H79 D229	R47-R51 PolarHBondContact O-NH1 2.72Å; R47-R51 PolarHBondContact O-NH2 3.34Å; R47-H79 PolarHBondContact NE-O 3.14Å; R47-H79 PolarHBondContact NH2-O 3.21Å; R47-D229 IonicContact CZ-OD1 3.97Å; R47-D229 VanDerWaalsContact CZ-OD1 3.22Å; R47-D229 IonicContact CZ-OD2 3.91Å; R47-D229 IonicContact NH1-OD1 3.75Å; R47-D229 PolarHBondContact NH1-OD1 3.06Å; R47-D229 IonicContact NH1-OD2 2.63Å; R47-D229 VanDerWaalsContact NH2-CG 3.31Å; R47-D229 IonicContact NH2-OD1 2.89Å; R47-D229 PolarHBondContact NH2-OD1 2.99Å; R47-D229 IonicContact NH2-OD2 2.76Å; R47-D229 PolarHBondContact NH2-OD2 3.06Å
48	G	88.4	Confident	94.9	Very high	50 Å²	50	43.9 Å²	43.9	52%	0.515	25%	0.25	S	S	.	.			trans	-61.1	155.8	179.1	0	0	0	0	0	113.6	R51	G48-R51 PolarHBondContact O-NH2 3.4Å
49	G	92	Very high	95.1	Very high	26 Å²	26	38.9 Å²	38.9	27%	0.268	22%	0.224	S	C	.	.	S	Bend	trans	97.6	151.6	178.4	0	0	0	0	0	114.7
50	F	96.1	Very high	95.2	Very high	58 Å²	58	33.2 Å²	33.2	25%	0.254	20%	0.2	S	C	.	.			trans	-84.8	126.6	175.4	177.2	-91.2	0	0	0	110	R37 A121 G124 L151	R37-F50 HydrophobicContact CB-CD1 4.35Å; R37-F50 HydrophobicContact CB-CD2 3.66Å; R37-F50 HydrophobicContact CB-CE1 4.47Å; R37-F50 HydrophobicContact CB-CE2 3.77Å; R37-F50 HydrophobicContact CB-CG 3.95Å; R37-F50 HydrophobicContact CB-CZ 4.19Å; R37-F50 HydrophobicContact CG-CD2 4.17Å; R37-F50 HydrophobicContact CG-CE1 4.45Å; R37-F50 HydrophobicContact CG-CE2 3.73Å; R37-F50 HydrophobicContact CG-CZ 3.9Å; R37-F50 VanDerWaalsContact O-CD2 3.29Å; R37-F50 WeakPolarHBondContact O-CD2 3.4Å; F50-A121 VanDerWaalsContact CZ-O 3.32Å; F50-A121 WeakPolarHBondContact CZ-O 3.21Å; F50-G124 VanDerWaalsContact CE2-CA 3.5Å; F50-L151 HydrophobicContact CE1-CD2 3.96Å; F50-L151 HydrophobicContact CZ-CD2 3.79Å
51	R	97.5	Very high	95	Very high	15 Å²	15	32 Å²	32	6%	0.057	20%	0.198	C	C	.	.			trans	-132.8	23.1	-177.5	64	179.2	63.6	86.8	10.5	113.3	R47 G48 C53 I225	R47-R51 PolarHBondContact O-NH1 2.72Å; R47-R51 PolarHBondContact O-NH2 3.34Å; G48-R51 PolarHBondContact O-NH2 3.4Å; R51-C53 PolarHBondContact O-N 3.47Å; R51-I225 HydrophobicContact CB-CG2 4.34Å; R51-I225 WeakPolarHBondContact CD-O 3.37Å; R51-I225 PolarHBondContact NE-O 3.45Å
52	G	98	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.			trans	-67.8	122	-177.8	0	0	0	0	0	111.8	A121 L125	G52-A121 WeakPolarHBondContact CA-O 3.25Å; G52-L125 WeakPolarHBondContact CA-O 3.25Å
53	C	98.7	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	171.1	-176.7	67.8	0	0	0	0	111.7	R51 L125 C127 P152 F154 I225	R51-C53 PolarHBondContact O-N 3.47Å; C53-L125 PolarHBondContact N-O 2.92Å; C53-C127 PolarHBondContact O-N 3.21Å; C53-P152 WeakPolarHBondContact CA-O 3.36Å; C53-P152 HydrophobicContact CB-CB 3.87Å; C53-P152 HydrophobicContact CB-CG 4.29Å; C53-F154 HydrophobicContact CB-CD2 4.43Å; C53-F154 HydrophobicContact CB-CE2 3.81Å; C53-I225 HydrophobicContact CB-CD1 3.97Å
54	T	98.8	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.5	172.9	-64	0	0	0	0	111	W56 A117 C127 H146 P152 F153 F154	T54-W56 HydrophobicContact CG2-CB 4.46Å; T54-W56 HydrophobicContact CG2-CE3 4.11Å; T54-A117 HydrophobicContact CG2-CB 3.87Å; T54-A117 PolarHBondContact OG1-O 2.9Å; T54-C127 CarbonylContact C-O 3.52Å; T54-C127 WeakPolarHBondContact CA-O 3.45Å; T54-H146 WeakPolarHBondContact CB-NE2 3.46Å; T54-H146 PolarHBondContact OG1-CD2 3.31Å; T54-H146 VanDerWaalsContact OG1-CD2 3.28Å; T54-H146 PolarHBondContact OG1-NE2 3.09Å; T54-P152 PolarHBondContact N-O 3.22Å; T54-P152 VanDerWaalsContact N-O 3.07Å; T54-F153 HydrophobicContact CG2-CD2 4.1Å; T54-F153 HydrophobicContact CG2-CE2 4.09Å; T54-F154 PolarHBondContact O-N 3.34Å
55	V	98.8	Very high	95.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.8	165.8	-177.5	0	0	0	0	107.6	L57 L72 V126 C127 L128 A129 F154 V156 L216 L220	V55-L57 HydrophobicContact CG1-CD2 3.92Å; V55-L72 HydrophobicContact CG1-CD2 4.36Å; V55-V126 HydrophobicContact CG2-CG1 4.16Å; V55-C127 PolarHBondContact N-O 2.99Å; V55-L128 HydrophobicContact CB-CD2 3.71Å; V55-L128 HydrophobicContact CG1-CD2 4.4Å; V55-L128 HydrophobicContact CG2-CD2 3.92Å; V55-A129 PolarHBondContact O-N 3.33Å; V55-F154 HydrophobicContact CG2-CD2 4.21Å; V55-V156 HydrophobicContact CG1-CG2 3.8Å; V55-L216 HydrophobicContact CG1-CD2 4.24Å; V55-L220 HydrophobicContact CG2-CD1 4.45Å; V55-L220 HydrophobicContact CG2-CD2 4.09Å
56	W	98.6	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100	-175.3	-168.7	-79.6	0	0	0	110.8	T54 I110 I113 A114 A129 S133 A142 F153 F154 V156	T54-W56 HydrophobicContact CG2-CB 4.46Å; T54-W56 HydrophobicContact CG2-CE3 4.11Å; W56-I110 HydrophobicContact CH2-CG2 4.01Å; W56-I110 HydrophobicContact CZ2-CD1 4.46Å; W56-I110 HydrophobicContact CZ2-CG2 3.79Å; W56-I113 HydrophobicContact CH2-CB 4.23Å; W56-I113 HydrophobicContact CH2-CG2 3.65Å; W56-I113 HydrophobicContact CZ3-CG2 3.81Å; W56-A114 HydrophobicContact CH2-CB 4.29Å; W56-A114 HydrophobicContact CZ3-CB 4.23Å; W56-A129 HydrophobicContact CD2-CB 4.04Å; W56-A129 HydrophobicContact CE3-CB 3.55Å; W56-A129 HydrophobicContact CZ3-CB 3.91Å; W56-S133 PolarHBondContact NE1-OG 3.45Å; W56-S133 VanDerWaalsContact NE1-OG 3.09Å; W56-A142 HydrophobicContact CE3-CB 4.39Å; W56-A142 HydrophobicContact CH2-CB 4.11Å; W56-A142 HydrophobicContact CZ2-CB 4.41Å; W56-A142 HydrophobicContact CZ3-CB 4.1Å; W56-F153 HydrophobicContact CB-CE1 4.08Å; W56-F153 HydrophobicContact CB-CE2 3.78Å; W56-F153 HydrophobicContact CB-CZ 3.43Å; W56-F153 VanDerWaalsContact CB-CZ 3.43Å; W56-F153 HydrophobicContact CD2-CE2 4.02Å; W56-F153 AromaticContact CD2-CZ 3.83Å; W56-F153 HydrophobicContact CD2-CZ 3.83Å; W56-F153 AromaticContact CE3-CE2 3.74Å; W56-F153 HydrophobicContact CE3-CE2 3.74Å; W56-F153 HydrophobicContact CE3-CZ 4.05Å; W56-F153 HydrophobicContact CG-CE1 4.48Å; W56-F153 HydrophobicContact CG-CE2 4.07Å; W56-F153 AromaticContact CG-CZ 3.57Å; W56-F153 HydrophobicContact CG-CZ 3.57Å; W56-F154 PolarHBondContact N-O 2.97Å; W56-V156 PolarHBondContact O-N 2.78Å
57	L	98.3	Very high	95.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.4	177	-50.9	-177.1	0	0	0	109.9	V55 K65 V68 A129 F131 V156 V158	V55-L57 HydrophobicContact CG1-CD2 3.92Å; L57-K65 HydrophobicContact CB-CB 4.24Å; L57-K65 HydrophobicContact CB-CD 4.43Å; L57-K65 HydrophobicContact CB-CG 4.15Å; L57-K65 HydrophobicContact CD1-CB 4.45Å; L57-K65 VanDerWaalsContact CD1-O 3.29Å; L57-K65 WeakPolarHBondContact CD1-O 3.5Å; L57-V68 HydrophobicContact CD1-CB 4.31Å; L57-V68 HydrophobicContact CD1-CG1 4.19Å; L57-V68 HydrophobicContact CD2-CG1 4.42Å; L57-A129 WeakPolarHBondContact CB-O 3.3Å; L57-A129 PolarHBondContact N-O 3.42Å; L57-F131 PolarHBondContact O-N 2.85Å; L57-V156 WeakPolarHBondContact CA-O 3.46Å; L57-V156 HydrophobicContact CD2-CB 3.66Å; L57-V156 HydrophobicContact CD2-CG1 3.82Å; L57-V156 HydrophobicContact CD2-CG2 4.16Å; L57-V158 HydrophobicContact CB-CG2 4.24Å; L57-V158 HydrophobicContact CD2-CG2 4.46Å
58	T	97.7	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.7	175.4	-176.3	0	0	0	0	111.1	I132 S133 R139 E155 V156 F157 V158 Y192 P195	T58-I132 PolarHBondContact OG1-O 3.45Å; T58-S133 VanDerWaalsContact CB-OG 3.22Å; T58-S133 WeakPolarHBondContact CB-OG 3.47Å; T58-S133 PolarHBondContact OG1-O 3.42Å; T58-S133 PolarHBondContact OG1-OG 3.12Å; T58-R139 WeakPolarHBondContact OG1-CD 3.46Å; T58-E155 HydrophobicContact CG2-CG 4.28Å; T58-V156 PolarHBondContact N-O 2.86Å; T58-F157 HydrophobicContact CG2-CD2 4.44Å; T58-V158 PolarHBondContact O-N 2.57Å; T58-Y192 WeakPolarHBondContact CG2-OH 3.41Å; T58-Y192 PolarHBondContact OG1-OH 2.82Å; T58-P195 HydrophobicContact CG2-CG 3.7Å
59	G	96.3	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.104	C	C	.	.			trans	156.8	170.7	-178.6	0	0	0	0	0	112.9	K65 I132 Y192	G59-K65 PolarHBondContact O-NZ 3.26Å; G59-I132 WeakPolarHBondContact O-CA 3.45Å; G59-Y192 WeakPolarHBondContact CA-OH 3.4Å; G59-Y192 PolarHBondContact N-OH 2.84Å; G59-Y192 VanDerWaalsContact N-OH 3.12Å
60	L	95.3	Very high	96.2	Very high	21 Å²	21	18.6 Å²	18.6	11%	0.11	11%	0.109	C	C	.	.			trans	-59.8	157.9	178.3	-66.2	176.4	0	0	0	112.7	G62 A63 K65 L162 T186 Y192	L60-G62 PolarHBondContact O-N 3.32Å; L60-A63 HydrophobicContact CB-CB 4.38Å; L60-A63 WeakPolarHBondContact O-CB 3.22Å; L60-A63 PolarHBondContact O-N 2.86Å; L60-K65 PolarHBondContact O-NZ 2.89Å; L60-L162 HydrophobicContact CD1-CB 4.04Å; L60-L162 HydrophobicContact CD1-CD1 4.05Å; L60-T186 HydrophobicContact CD2-CG2 4.25Å; L60-Y192 HydrophobicContact CD2-CD1 4.46Å; L60-Y192 HydrophobicContact CD2-CD2 4.17Å; L60-Y192 HydrophobicContact CD2-CG 3.83Å; L60-Y192 HydrophobicContact CG-CG 4.46Å
61	S	92.6	Very high	96.2	Very high	20 Å²	20	17 Å²	17	14%	0.14	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	139.6	169.2	-174.3	0	0	0	0	109.5	A63 C165 Y174	S61-A63 PolarHBondContact O-N 2.88Å; S61-A63 VanDerWaalsContact O-N 3.17Å; S61-C165 WeakPolarHBondContact O-CB 3.45Å; S61-Y174 WeakPolarHBondContact O-CE2 3.4Å; S61-Y174 PolarHBondContact O-OH 3.26Å
62	G	91.9	Very high	96.2	Very high	19 Å²	19	16.3 Å²	16.3	20%	0.196	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-2.8	-177.4	0	0	0	0	0	116.2	L60 G64 R168	L60-G62 PolarHBondContact O-N 3.32Å; G62-G64 PolarHBondContact O-N 3.37Å; G62-R168 WeakPolarHBondContact O-CD 3.41Å; G62-R168 PolarHBondContact O-NH1 3.35Å
63	A	95.3	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-67.9	-17.2	176.5	0	0	0	0	0	114.1	L60 S61 V158 A160 R168 T204	L60-A63 HydrophobicContact CB-CB 4.38Å; L60-A63 WeakPolarHBondContact O-CB 3.22Å; L60-A63 PolarHBondContact O-N 2.86Å; S61-A63 PolarHBondContact O-N 2.88Å; S61-A63 VanDerWaalsContact O-N 3.17Å; A63-V158 HydrophobicContact CB-CG1 4.14Å; A63-V158 WeakPolarHBondContact CB-O 3.42Å; A63-V158 VanDerWaalsContact O-CG1 3.29Å; A63-V158 WeakPolarHBondContact O-CG1 3.48Å; A63-A160 HydrophobicContact CB-CB 4.01Å; A63-R168 PolarHBondContact O-NH1 3.46Å; A63-T204 WeakPolarHBondContact O-CG2 3.36Å; A63-T204 PolarHBondContact O-OG1 2.86Å
64	G	94.7	Very high	96.1	Very high	18 Å²	18	25.2 Å²	25.2	19%	0.186	15%	0.146	C	C	.	.	S	Bend	trans	114.4	4.8	174.4	0	0	0	0	0	116.4	G62 T66 T67 V68	G62-G64 PolarHBondContact O-N 3.37Å; G64-T66 VanDerWaalsContact C-N 3.34Å; G64-T66 PolarHBondContact O-N 3.49Å; G64-T67 WeakPolarHBondContact O-CB 3.42Å; G64-T67 PolarHBondContact O-N 2.68Å; G64-T67 VanDerWaalsContact O-N 3.07Å; G64-V68 WeakPolarHBondContact O-CG2 3.41Å; G64-V68 PolarHBondContact O-N 3.43Å
65	K	95.7	Very high	96	Very high	16 Å²	16	27.8 Å²	27.8	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-49.4	-48	-179.6	-62.8	179	-66.2	-66	0	114	L57 G59 L60 V68 S69 S130 F131 V158	L57-K65 HydrophobicContact CB-CB 4.24Å; L57-K65 HydrophobicContact CB-CD 4.43Å; L57-K65 HydrophobicContact CB-CG 4.15Å; L57-K65 HydrophobicContact CD1-CB 4.45Å; L57-K65 VanDerWaalsContact CD1-O 3.29Å; L57-K65 WeakPolarHBondContact CD1-O 3.5Å; G59-K65 PolarHBondContact O-NZ 3.26Å; L60-K65 PolarHBondContact O-NZ 2.89Å; K65-V68 PolarHBondContact O-N 3.41Å; K65-S69 PolarHBondContact O-N 3.4Å; K65-S69 PolarHBondContact O-OG 3.19Å; K65-S69 VanDerWaalsContact O-OG 3.14Å; K65-S130 VanDerWaalsContact C-OG 3.3Å; K65-S130 WeakPolarHBondContact CB-OG 3.46Å; K65-S130 PolarHBondContact O-OG 3.3Å; K65-F131 WeakPolarHBondContact CD-O 3.47Å; K65-V158 HydrophobicContact CG-CB 3.91Å; K65-V158 HydrophobicContact CG-CG1 4.34Å; K65-V158 HydrophobicContact CG-CG2 3.81Å
66	T	92.7	Very high	95.9	Very high	63 Å²	63	27.7 Å²	27.7	39%	0.387	16%	0.155	S	C	.	.	H	α-helix	trans	-63.5	-42.8	179.7	-53.2	0	0	0	0	111.6	G64 V68 S69 M70 S130	G64-T66 VanDerWaalsContact C-N 3.34Å; G64-T66 PolarHBondContact O-N 3.49Å; T66-V68 VanDerWaalsContact C-N 3.35Å; T66-V68 PolarHBondContact O-N 3.2Å; T66-S69 WeakPolarHBondContact CA-OG 3.21Å; T66-S69 PolarHBondContact O-N 2.71Å; T66-S69 PolarHBondContact O-OG 2.94Å; T66-M70 HydrophobicContact CG2-CE 4.41Å; T66-M70 HydrophobicContact CG2-CG 4.35Å; T66-M70 WeakPolarHBondContact O-CB 3.39Å; T66-M70 WeakPolarHBondContact O-CG 3.26Å; T66-M70 PolarHBondContact O-N 3.22Å; T66-S130 PolarHBondContact N-OG 3.4Å
67	T	94.8	Very high	95.8	Very high	78 Å²	78	32.2 Å²	32.2	48%	0.479	18%	0.183	S	C	.	.	H	α-helix	trans	-60.9	-45.8	176.7	-53.2	0	0	0	0	111	G64 A71 V209	G64-T67 WeakPolarHBondContact O-CB 3.42Å; G64-T67 PolarHBondContact O-N 2.68Å; G64-T67 VanDerWaalsContact O-N 3.07Å; T67-A71 WeakPolarHBondContact O-CB 3.5Å; T67-A71 PolarHBondContact O-N 3.09Å; T67-A71 VanDerWaalsContact O-N 3.11Å; T67-V209 HydrophobicContact CG2-CG1 4.38Å; T67-V209 HydrophobicContact CG2-CG2 3.79Å
68	V	96.8	Very high	95.6	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-45.1	178.4	174.7	0	0	0	0	111.8	L57 G64 K65 T66 M70 A71 L72 L202 C212 I213 L216	L57-V68 HydrophobicContact CD1-CB 4.31Å; L57-V68 HydrophobicContact CD1-CG1 4.19Å; L57-V68 HydrophobicContact CD2-CG1 4.42Å; G64-V68 WeakPolarHBondContact O-CG2 3.41Å; G64-V68 PolarHBondContact O-N 3.43Å; K65-V68 PolarHBondContact O-N 3.41Å; T66-V68 VanDerWaalsContact C-N 3.35Å; T66-V68 PolarHBondContact O-N 3.2Å; V68-M70 PolarHBondContact O-N 2.92Å; V68-A71 PolarHBondContact O-N 2.83Å; V68-L72 VanDerWaalsContact O-CB 3.31Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 PolarHBondContact O-N 2.96Å; V68-L202 HydrophobicContact CG1-CD1 3.99Å; V68-L202 HydrophobicContact CG2-CD1 4.42Å; V68-C212 HydrophobicContact CG2-CB 4.45Å; V68-I213 HydrophobicContact CG1-CD1 4.26Å; V68-L216 HydrophobicContact CG1-CD1 3.34Å
69	S	96.4	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-41.4	179.5	54.4	0	0	0	0	112.4	K65 T66 L72 E73 L128 S130	K65-S69 PolarHBondContact O-N 3.4Å; K65-S69 PolarHBondContact O-OG 3.19Å; K65-S69 VanDerWaalsContact O-OG 3.14Å; T66-S69 WeakPolarHBondContact CA-OG 3.21Å; T66-S69 PolarHBondContact O-N 2.71Å; T66-S69 PolarHBondContact O-OG 2.94Å; S69-L72 PolarHBondContact O-N 2.73Å; S69-E73 VanDerWaalsContact O-CB 3.29Å; S69-E73 WeakPolarHBondContact O-CB 3.42Å; S69-E73 PolarHBondContact O-N 3.47Å; S69-L128 WeakPolarHBondContact O-CD1 3.02Å; S69-S130 PolarHBondContact OG-OG 3.46Å
70	M	94.8	Very high	95.3	Very high	77 Å²	77	40.9 Å²	40.9	38%	0.379	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-42.8	-179.6	-65.7	-66.9	171.5	0	0	111.8	T66 V68 E73 E74	T66-M70 HydrophobicContact CG2-CE 4.41Å; T66-M70 HydrophobicContact CG2-CG 4.35Å; T66-M70 WeakPolarHBondContact O-CB 3.39Å; T66-M70 WeakPolarHBondContact O-CG 3.26Å; T66-M70 PolarHBondContact O-N 3.22Å; V68-M70 PolarHBondContact O-N 2.92Å; M70-E73 PolarHBondContact O-N 3.09Å; M70-E74 PolarHBondContact O-N 3.14Å
71	A	96.6	Very high	95.4	Very high	25 Å²	25	40 Å²	40	21%	0.207	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-34.8	176.8	0	0	0	0	0	112.4	T67 V68 Y75 V209 I213	T67-A71 WeakPolarHBondContact O-CB 3.5Å; T67-A71 PolarHBondContact O-N 3.09Å; T67-A71 VanDerWaalsContact O-N 3.11Å; V68-A71 PolarHBondContact O-N 2.83Å; A71-Y75 PolarHBondContact O-N 3.07Å; A71-V209 HydrophobicContact CB-CG1 3.93Å; A71-I213 HydrophobicContact CB-CD1 3.8Å; A71-I213 HydrophobicContact CB-CG1 3.84Å
72	L	97.7	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-40.3	173	-178.7	60.1	0	0	0	111.8	V55 V68 S69 Y75 L76 L128 I213 L216 V217 L220	V55-L72 HydrophobicContact CG1-CD2 4.36Å; V68-L72 VanDerWaalsContact O-CB 3.31Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 PolarHBondContact O-N 2.96Å; S69-L72 PolarHBondContact O-N 2.73Å; L72-Y75 PolarHBondContact O-N 3.09Å; L72-L76 HydrophobicContact CD1-CD1 4.26Å; L72-L76 HydrophobicContact CD1-CG 4.15Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 HydrophobicContact CG-CG 4.36Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.48Å; L72-L128 HydrophobicContact CB-CD1 4.21Å; L72-L128 HydrophobicContact CD2-CD1 4.24Å; L72-L128 HydrophobicContact CD2-CD2 3.61Å; L72-L128 HydrophobicContact CG-CD1 4.16Å; L72-L128 HydrophobicContact CG-CD2 4.26Å; L72-I213 HydrophobicContact CB-CD1 3.92Å; L72-L216 HydrophobicContact CD2-CD1 4.24Å; L72-V217 HydrophobicContact CD1-CG2 4.39Å; L72-L220 HydrophobicContact CD1-CD1 4.44Å
73	E	97.8	Very high	96	Very high	53 Å²	53	40.8 Å²	40.8	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-48.3	174.1	180	170.3	-102.3	0	0	111.1	S69 M70 Y75 L76 V77 T85 L128	S69-E73 VanDerWaalsContact O-CB 3.29Å; S69-E73 WeakPolarHBondContact O-CB 3.42Å; S69-E73 PolarHBondContact O-N 3.47Å; M70-E73 PolarHBondContact O-N 3.09Å; E73-Y75 PolarHBondContact O-N 3.11Å; E73-L76 PolarHBondContact O-N 3.49Å; E73-V77 WeakPolarHBondContact O-CB 3.35Å; E73-V77 VanDerWaalsContact O-CG2 3.31Å; E73-V77 WeakPolarHBondContact O-CG2 3.49Å; E73-V77 PolarHBondContact O-N 2.9Å; E73-T85 VanDerWaalsContact CD-OG1 3.31Å; E73-T85 WeakPolarHBondContact OE1-CB 3.17Å; E73-T85 PolarHBondContact OE1-N 3.08Å; E73-T85 PolarHBondContact OE1-OG1 3.39Å; E73-L128 HydrophobicContact CB-CD1 3.93Å
74	E	96.8	Very high	96.1	Very high	134 Å²	134	46 Å²	46	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-56.8	-48.2	174.9	-176.2	175.8	-168	0	0	111.4	M70 L76 V77 C78	M70-E74 PolarHBondContact O-N 3.14Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-V77 PolarHBondContact O-N 3.27Å; E74-C78 WeakPolarHBondContact O-CB 3.37Å; E74-C78 PolarHBondContact O-N 2.93Å; E74-C78 PolarHBondContact O-SG 3.12Å; E74-C78 VanDerWaalsContact O-SG 3.34Å
75	Y	96.7	Very high	96.2	Very high	53 Å²	53	45.4 Å²	45.4	21%	0.208	25%	0.25	C	C	.	.	H	α-helix	trans	-56	-52.8	176.5	178.9	-83.4	0	0	0	111.7	A71 L72 E73 V77 C78 H79 I213 V217 V226	A71-Y75 PolarHBondContact O-N 3.07Å; L72-Y75 PolarHBondContact O-N 3.09Å; E73-Y75 PolarHBondContact O-N 3.11Å; Y75-V77 PolarHBondContact O-N 3.06Å; Y75-C78 PolarHBondContact O-N 3.39Å; Y75-H79 AromaticContact CD1-ND1 3.87Å; Y75-H79 AromaticContact CD2-CE1 3.53Å; Y75-H79 AromaticContact CD2-ND1 3.81Å; Y75-H79 AromaticContact CE1-ND1 3.75Å; Y75-H79 AromaticContact CE2-CE1 3.2Å; Y75-H79 WeakPolarHBondContact CE2-CE1 3.41Å; Y75-H79 AromaticContact CE2-ND1 3.7Å; Y75-H79 AromaticContact CE2-NE2 3.73Å; Y75-H79 AromaticContact CG-ND1 3.88Å; Y75-H79 AromaticContact CZ-CE1 3.48Å; Y75-H79 VanDerWaalsContact CZ-CE1 3.48Å; Y75-H79 AromaticContact CZ-ND1 3.65Å; Y75-H79 AromaticContact CZ-NE2 3.73Å; Y75-H79 PolarHBondContact O-N 3.25Å; Y75-H79 PolarHBondContact O-ND1 3.41Å; Y75-I213 HydrophobicContact CD2-CG2 4.34Å; Y75-I213 HydrophobicContact CG-CG2 4.4Å; Y75-V217 HydrophobicContact CD1-CG2 3.63Å; Y75-V217 HydrophobicContact CD2-CG2 4.18Å; Y75-V217 HydrophobicContact CE1-CB 4.36Å; Y75-V217 HydrophobicContact CE1-CG1 3.95Å; Y75-V217 HydrophobicContact CE1-CG2 3.41Å; Y75-V217 VanDerWaalsContact CE1-CG2 3.41Å; Y75-V217 HydrophobicContact CE2-CG1 4.49Å; Y75-V217 HydrophobicContact CE2-CG2 3.97Å; Y75-V217 HydrophobicContact CG-CG2 4.04Å; Y75-V217 WeakPolarHBondContact OH-CG1 3.3Å; Y75-V226 HydrophobicContact CE1-CG1 4.48Å
76	L	97.3	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-43.3	-176.3	-68.9	171	0	0	0	111.4	L72 E73 E74 H79 G80 I81 C83 V126 L128 V226	L72-L76 HydrophobicContact CD1-CD1 4.26Å; L72-L76 HydrophobicContact CD1-CG 4.15Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 HydrophobicContact CG-CG 4.36Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.48Å; E73-L76 PolarHBondContact O-N 3.49Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-H79 CarbonylContact O-C 3.51Å; L76-H79 PolarHBondContact O-N 3.43Å; L76-G80 PolarHBondContact O-N 2.97Å; L76-I81 CarbonylContact C-O 3.54Å; L76-I81 HydrophobicContact CB-CB 4.23Å; L76-I81 HydrophobicContact CB-CG2 4.39Å; L76-I81 HydrophobicContact CD2-CB 4.18Å; L76-I81 HydrophobicContact CD2-CD1 4.13Å; L76-I81 HydrophobicContact CD2-CG2 3.98Å; L76-I81 PolarHBondContact O-N 3.35Å; L76-C83 HydrophobicContact CB-CB 4.23Å; L76-C83 HydrophobicContact CD1-CB 3.75Å; L76-V126 HydrophobicContact CD1-CB 4.01Å; L76-V126 HydrophobicContact CD1-CG1 3.72Å; L76-V126 HydrophobicContact CD1-CG2 4.46Å; L76-L128 HydrophobicContact CD1-CD2 4.42Å; L76-V226 HydrophobicContact CD2-CG2 3.8Å
77	V	96.7	Very high	96	Very high	94 Å²	94	42.6 Å²	42.6	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-62.9	-47.2	176.9	171.9	0	0	0	0	111.2	E73 E74 Y75 H79 G80	E73-V77 WeakPolarHBondContact O-CB 3.35Å; E73-V77 VanDerWaalsContact O-CG2 3.31Å; E73-V77 WeakPolarHBondContact O-CG2 3.49Å; E73-V77 PolarHBondContact O-N 2.9Å; E74-V77 PolarHBondContact O-N 3.27Å; Y75-V77 PolarHBondContact O-N 3.06Å; V77-H79 PolarHBondContact O-N 3.34Å; V77-G80 PolarHBondContact O-N 3.1Å
78	C	93.3	Very high	95.3	Very high	97 Å²	97	39.9 Å²	39.9	66%	0.655	22%	0.221	S	C	*	.	H	α-helix	trans	-59.6	-28.8	176.7	-75.8	0	0	0	0	112.9	E74 Y75	E74-C78 WeakPolarHBondContact O-CB 3.37Å; E74-C78 PolarHBondContact O-N 2.93Å; E74-C78 PolarHBondContact O-SG 3.12Å; E74-C78 VanDerWaalsContact O-SG 3.34Å; Y75-C78 PolarHBondContact O-N 3.39Å
79	H	92.6	Very high	94	Very high	61 Å²	61	43.7 Å²	43.7	28%	0.282	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	12	177.3	-65.2	77.2	0	0	0	113.3	R47 Y75 L76 V77 I81	R47-H79 PolarHBondContact NE-O 3.14Å; R47-H79 PolarHBondContact NH2-O 3.21Å; Y75-H79 AromaticContact CD1-ND1 3.87Å; Y75-H79 AromaticContact CD2-CE1 3.53Å; Y75-H79 AromaticContact CD2-ND1 3.81Å; Y75-H79 AromaticContact CE1-ND1 3.75Å; Y75-H79 AromaticContact CE2-CE1 3.2Å; Y75-H79 WeakPolarHBondContact CE2-CE1 3.41Å; Y75-H79 AromaticContact CE2-ND1 3.7Å; Y75-H79 AromaticContact CE2-NE2 3.73Å; Y75-H79 AromaticContact CG-ND1 3.88Å; Y75-H79 AromaticContact CZ-CE1 3.48Å; Y75-H79 VanDerWaalsContact CZ-CE1 3.48Å; Y75-H79 AromaticContact CZ-ND1 3.65Å; Y75-H79 AromaticContact CZ-NE2 3.73Å; Y75-H79 PolarHBondContact O-N 3.25Å; Y75-H79 PolarHBondContact O-ND1 3.41Å; L76-H79 CarbonylContact O-C 3.51Å; L76-H79 PolarHBondContact O-N 3.43Å; V77-H79 PolarHBondContact O-N 3.34Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 3.44Å
80	G	94.6	Very high	93	Very high	26 Å²	26	46.4 Å²	46.4	27%	0.268	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.9	174.6	0	0	0	0	0	114.6	L76 V77	L76-G80 PolarHBondContact O-N 2.97Å; V77-G80 PolarHBondContact O-N 3.1Å
81	I	97.6	Very high	92.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.241	C	C	.	.			trans	-104.6	110.3	177.9	-63.6	172.1	0	0	0	108.9	L76 H79 C83 V126 V226	L76-I81 CarbonylContact C-O 3.54Å; L76-I81 HydrophobicContact CB-CB 4.23Å; L76-I81 HydrophobicContact CB-CG2 4.39Å; L76-I81 HydrophobicContact CD2-CB 4.18Å; L76-I81 HydrophobicContact CD2-CD1 4.13Å; L76-I81 HydrophobicContact CD2-CG2 3.98Å; L76-I81 PolarHBondContact O-N 3.35Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 3.44Å; I81-C83 PolarHBondContact O-N 2.92Å; I81-V126 HydrophobicContact CG2-CG2 3.84Å; I81-V226 HydrophobicContact CD1-CB 4.21Å; I81-V226 HydrophobicContact CD1-CG1 4.06Å; I81-V226 HydrophobicContact CD1-CG2 3.85Å
82	P	98.4	Very high	92.1	Very high	40 Å²	40	46.3 Å²	46.3	26%	0.26	25%	0.247	S	C	.	.			trans	-64.1	127.8	177.1	-24.2	35.8	0	0	0	112.2	V44 L125 V126	V44-P82 HydrophobicContact CG1-CB 4.08Å; V44-P82 HydrophobicContact CG1-CG 3.9Å; P82-L125 HydrophobicContact CB-CG 4.3Å; P82-V126 PolarHBondContact O-N 2.95Å; P82-V126 VanDerWaalsContact O-N 3.16Å
83	C	98.4	Very high	91.5	Very high	17 Å²	17	53.9 Å²	53.9	12%	0.115	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	167.1	178.4	60.3	0	0	0	0	111	L76 I81 V126	L76-C83 HydrophobicContact CB-CB 4.23Å; L76-C83 HydrophobicContact CD1-CB 3.75Å; I81-C83 PolarHBondContact O-N 2.92Å; C83-V126 CarbonylContact C-O 3.58Å; C83-V126 WeakPolarHBondContact CA-O 3.26Å; C83-V126 HydrophobicContact CB-CB 3.95Å; C83-V126 WeakPolarHBondContact CB-O 3.27Å
84	Y	97.8	Very high	91.2	Very high	108 Å²	108	53.2 Å²	53.2	42%	0.424	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	130.6	174.3	-165.3	-97.6	0	0	0	111.5	L86 F120 V126 C127 L128	Y84-L86 HydrophobicContact CD1-CD2 3.85Å; Y84-L86 HydrophobicContact CE1-CD2 3.88Å; Y84-F120 HydrophobicContact CD1-CD1 4.43Å; Y84-F120 AromaticContact CD1-CE1 3.76Å; Y84-F120 HydrophobicContact CD1-CE1 3.76Å; Y84-F120 HydrophobicContact CD1-CE2 4.09Å; Y84-F120 AromaticContact CD1-CZ 3.56Å; Y84-F120 HydrophobicContact CD1-CZ 3.56Å; Y84-F120 HydrophobicContact CE1-CE1 4.43Å; Y84-F120 HydrophobicContact CE1-CE2 4.45Å; Y84-F120 AromaticContact CE1-CZ 3.89Å; Y84-F120 HydrophobicContact CE1-CZ 3.89Å; Y84-F120 HydrophobicContact CG-CD1 4.41Å; Y84-F120 AromaticContact CG-CE1 3.82Å; Y84-F120 HydrophobicContact CG-CE1 3.82Å; Y84-F120 HydrophobicContact CG-CZ 4.1Å; Y84-V126 PolarHBondContact N-O 3.12Å; Y84-C127 WeakPolarHBondContact O-CA 3.15Å; Y84-L128 PolarHBondContact O-N 2.78Å
85	T	97.1	Very high	91	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	179.4	-56.3	0	0	0	0	112.3	E73 D87 N90 L128	E73-T85 VanDerWaalsContact CD-OG1 3.31Å; E73-T85 WeakPolarHBondContact OE1-CB 3.17Å; E73-T85 PolarHBondContact OE1-N 3.08Å; E73-T85 PolarHBondContact OE1-OG1 3.39Å; T85-D87 HydrophobicContact CG2-CB 4.36Å; T85-N90 PolarHBondContact O-ND2 3.26Å; T85-L128 CarbonylContact C-O 3.55Å; T85-L128 WeakPolarHBondContact CA-O 3.39Å; T85-L128 HydrophobicContact CG2-CB 4.36Å
86	L	95.7	Very high	90.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.1	165.5	-54.2	-178.8	0	0	0	108	Y84 I91 I113 V116 A117 F120 C127 L128 A129 S130 F131	Y84-L86 HydrophobicContact CD1-CD2 3.85Å; Y84-L86 HydrophobicContact CE1-CD2 3.88Å; L86-I91 HydrophobicContact CB-CG1 4.35Å; L86-I91 HydrophobicContact CD2-CD1 4.25Å; L86-I113 HydrophobicContact CD1-CG2 4.46Å; L86-V116 HydrophobicContact CD1-CB 4.28Å; L86-V116 HydrophobicContact CD1-CG1 3.83Å; L86-V116 HydrophobicContact CD2-CG1 4.21Å; L86-A117 HydrophobicContact CD1-CB 4.01Å; L86-F120 HydrophobicContact CD2-CD2 4.3Å; L86-F120 HydrophobicContact CD2-CE2 3.91Å; L86-C127 VanDerWaalsContact CD1-SG 3.55Å; L86-L128 PolarHBondContact N-O 3.44Å; L86-A129 WeakPolarHBondContact O-CA 3.48Å; L86-S130 PolarHBondContact O-N 3.11Å; L86-F131 HydrophobicContact CB-CE2 3.92Å; L86-F131 HydrophobicContact CB-CZ 4.21Å; L86-F131 WeakPolarHBondContact O-CE2 3.44Å
87	D	89	Confident	90.6	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	172.5	-179.2	71.6	15.5	0	0	0	112	T85 D89 N90 I91 F131	T85-D87 HydrophobicContact CG2-CB 4.36Å; D87-D89 PolarHBondContact O-N 3.39Å; D87-D89 WeakPolarHBondContact OD1-CA 3.1Å; D87-D89 PolarHBondContact OD1-N 2.88Å; D87-N90 PolarHBondContact N-OD1 3.47Å; D87-N90 PolarHBondContact O-OD1 3.49Å; D87-N90 WeakPolarHBondContact OD1-CB 3.42Å; D87-N90 PolarHBondContact OD1-N 2.98Å; D87-N90 PolarHBondContact OD1-OD1 3.38Å; D87-I91 WeakPolarHBondContact O-CB 3.31Å; D87-I91 PolarHBondContact O-N 3.09Å; D87-I91 VanDerWaalsContact O-N 3.14Å; D87-F131 WeakPolarHBondContact O-CE1 3.47Å; D87-F131 WeakPolarHBondContact O-CZ 3.49Å
88	G	78.5	Confident	90.4	Very high	22 Å²	22	56.6 Å²	56.6	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-25.2	177.9	0	0	0	0	0	113.4	R92	G88-R92 WeakPolarHBondContact O-CB 3.49Å; G88-R92 WeakPolarHBondContact O-CD 3.47Å; G88-R92 WeakPolarHBondContact O-CG 3.34Å; G88-R92 PolarHBondContact O-N 3.45Å
89	D	70.9	Confident	90.2	Very high	83 Å²	83	53 Å²	53	44%	0.444	28%	0.278	S	S	.	.	H	α-helix	trans	-85.5	-35.1	-172	-64.4	-32.5	0	0	0	110.5	D87 Q93 K171	D87-D89 PolarHBondContact O-N 3.39Å; D87-D89 WeakPolarHBondContact OD1-CA 3.1Å; D87-D89 PolarHBondContact OD1-N 2.88Å; D89-Q93 WeakPolarHBondContact O-CG 3.48Å; D89-K171 IonicContact OD1-NZ 2.7Å; D89-K171 PolarHBondContact OD1-NZ 2.87Å; D89-K171 IonicContact OD2-NZ 2.76Å; D89-K171 PolarHBondContact OD2-NZ 3.36Å
90	N	75.6	Confident	89.9	Confident	58 Å²	58	51.5 Å²	51.5	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-85.6	-40.8	177.4	68.8	15.1	0	0	0	113.8	T85 D87	T85-N90 PolarHBondContact O-ND2 3.26Å; D87-N90 PolarHBondContact N-OD1 3.47Å; D87-N90 PolarHBondContact O-OD1 3.49Å; D87-N90 WeakPolarHBondContact OD1-CB 3.42Å; D87-N90 PolarHBondContact OD1-N 2.98Å; D87-N90 PolarHBondContact OD1-OD1 3.38Å
91	I	89.1	Confident	89.3	Confident	15 Å²	15	57 Å²	57	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-75.9	-40.6	-177	-72.8	-56.3	0	0	0	111.9	L86 D87 Q93 G94 L95 N96 I113 F131	L86-I91 HydrophobicContact CB-CG1 4.35Å; L86-I91 HydrophobicContact CD2-CD1 4.25Å; D87-I91 WeakPolarHBondContact O-CB 3.31Å; D87-I91 PolarHBondContact O-N 3.09Å; D87-I91 VanDerWaalsContact O-N 3.14Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.29Å; I91-G94 CarbonylContact O-C 3.59Å; I91-G94 PolarHBondContact O-N 3.17Å; I91-L95 PolarHBondContact O-N 3.04Å; I91-N96 HydrophobicContact CG2-CB 3.75Å; I91-N96 VanDerWaalsContact CG2-CG 3.47Å; I91-N96 WeakPolarHBondContact CG2-ND2 3.36Å; I91-N96 PolarHBondContact O-N 2.92Å; I91-I113 HydrophobicContact CG1-CG1 4.42Å; I91-I113 HydrophobicContact CG2-CD1 4.28Å; I91-I113 HydrophobicContact CG2-CG1 3.91Å; I91-F131 HydrophobicContact CB-CE1 4.41Å; I91-F131 HydrophobicContact CB-CZ 4.21Å; I91-F131 HydrophobicContact CG1-CZ 3.96Å
92	R	82.6	Confident	88.7	Confident	85 Å²	85	59 Å²	59	32%	0.321	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.4	-173.9	-68.9	-177.9	164.5	-94.1	-2.3	113.8	G88 K97	G88-R92 WeakPolarHBondContact O-CB 3.49Å; G88-R92 WeakPolarHBondContact O-CD 3.47Å; G88-R92 WeakPolarHBondContact O-CG 3.34Å; G88-R92 PolarHBondContact O-N 3.45Å; R92-K97 WeakPolarHBondContact O-CA 3.44Å; R92-K97 PolarHBondContact O-N 2.67Å
93	Q	85.8	Confident	87.9	Confident	159 Å²	159	60.5 Å²	60.5	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-19.3	175.9	-60.7	-175.5	13.1	0	0	112.6	D89 I91	D89-Q93 WeakPolarHBondContact O-CG 3.48Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.29Å
94	G	91.5	Very high	87.4	Confident	38 Å²	38	65.4 Å²	65.4	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-99.8	-178	0	0	0	0	0	113.1	I91 N96 K97	I91-G94 CarbonylContact O-C 3.59Å; I91-G94 PolarHBondContact O-N 3.17Å; G94-N96 VanDerWaalsContact C-N 3.25Å; G94-N96 PolarHBondContact O-N 3.33Å; G94-K97 WeakPolarHBondContact O-CB 3.5Å; G94-K97 VanDerWaalsContact O-CG 3.27Å; G94-K97 WeakPolarHBondContact O-CG 3.5Å; G94-K97 PolarHBondContact O-N 3.49Å
95	L	92	Very high	87	Confident	85 Å²	85	62.6 Å²	62.6	45%	0.445	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.3	-172.6	-178.3	64.7	0	0	0	113.3	I91 R112 V116	I91-L95 PolarHBondContact O-N 3.04Å; L95-R112 HydrophobicContact CD2-CB 4.35Å; L95-R112 PolarHBondContact O-NH1 3.44Å; L95-V116 HydrophobicContact CD2-CG2 3.5Å
96	N	94.3	Very high	86.4	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	17.4	-174.6	-69.3	-1.2	0	0	0	113.1	I91 G94 N98 L99 N109 R112	I91-N96 HydrophobicContact CG2-CB 3.75Å; I91-N96 VanDerWaalsContact CG2-CG 3.47Å; I91-N96 WeakPolarHBondContact CG2-ND2 3.36Å; I91-N96 PolarHBondContact O-N 2.92Å; G94-N96 VanDerWaalsContact C-N 3.25Å; G94-N96 PolarHBondContact O-N 3.33Å; N96-N98 PolarHBondContact O-N 3.16Å; N96-N98 VanDerWaalsContact O-N 3.1Å; N96-L99 HydrophobicContact CB-CD1 3.96Å; N96-L99 PolarHBondContact O-N 3.18Å; N96-L99 VanDerWaalsContact O-N 3.1Å; N96-N109 PolarHBondContact ND2-O 3.25Å; N96-N109 PolarHBondContact ND2-OD1 2.86Å; N96-R112 WeakPolarHBondContact OD1-CD 3.22Å
97	K	91.5	Very high	86.1	Confident	163 Å²	163	67 Å²	67	71%	0.709	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.2	180	73.7	-176.2	178.9	177.9	0	114.9	R92 G94	R92-K97 WeakPolarHBondContact O-CA 3.44Å; R92-K97 PolarHBondContact O-N 2.67Å; G94-K97 WeakPolarHBondContact O-CB 3.5Å; G94-K97 VanDerWaalsContact O-CG 3.27Å; G94-K97 WeakPolarHBondContact O-CG 3.5Å; G94-K97 PolarHBondContact O-N 3.49Å
98	N	91.8	Very high	86.3	Confident	102 Å²	102	68.5 Å²	68.5	55%	0.545	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	1.1	-179.3	74.9	-59.1	0	0	0	113.3	N96 R112	N96-N98 PolarHBondContact O-N 3.16Å; N96-N98 VanDerWaalsContact O-N 3.1Å; N98-R112 PolarHBondContact OD1-NH1 3.43Å
99	L	90.1	Very high	87	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.349	C	S	.	.			trans	-103.9	130.9	-178.7	-57.5	176.4	0	0	0	109.8	N96 D105 E108 N109	N96-L99 HydrophobicContact CB-CD1 3.96Å; N96-L99 PolarHBondContact O-N 3.18Å; N96-L99 VanDerWaalsContact O-N 3.1Å; L99-D105 HydrophobicContact CB-CB 4.19Å; L99-E108 HydrophobicContact CD1-CB 4.37Å; L99-E108 HydrophobicContact CD1-CG 4.01Å; L99-E108 HydrophobicContact CD2-CB 4.33Å; L99-E108 HydrophobicContact CD2-CG 3.89Å; L99-N109 HydrophobicContact CD1-CB 3.79Å
100	G	84.7	Confident	88.1	Confident	29 Å²	29	64.3 Å²	64.3	30%	0.299	33%	0.33	S	S	.	.			trans	-85.4	-141.2	174.3	0	0	0	0	0	112.8	D105	G100-D105 VanDerWaalsContact CA-OD2 3.27Å; G100-D105 WeakPolarHBondContact CA-OD2 3.27Å; G100-D105 PolarHBondContact N-OD2 2.86Å
101	F	82.6	Confident	89.1	Confident	142 Å²	142	65.8 Å²	65.8	62%	0.623	33%	0.331	S	S	*	.	S	Bend	trans	-122.5	11.2	-176.6	-64.2	-80.4	0	0	0	113.5	R106	F101-R106 PolarHBondContact O-NE 3.41Å; F101-R106 PolarHBondContact O-NH2 3.39Å
102	S	84.8	Confident	89.5	Confident	43 Å²	43	67.7 Å²	67.7	30%	0.301	34%	0.337	S	S	.	.	S	Bend	trans	-63.8	159.5	171.8	70.8	0	0	0	0	110.9	E104 D105 R106	S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 WeakPolarHBondContact CB-OE2 3.33Å; S102-E104 PolarHBondContact O-N 3.43Å; S102-E104 PolarHBondContact OG-OE2 2.79Å; S102-D105 PolarHBondContact O-N 2.88Å; S102-D105 WeakPolarHBondContact OG-CB 3.16Å; S102-D105 PolarHBondContact OG-N 2.74Å; S102-R106 VanDerWaalsContact O-CG 3.29Å; S102-R106 WeakPolarHBondContact O-CG 3.44Å; S102-R106 PolarHBondContact O-N 2.71Å
103	P	82.5	Confident	90.1	Very high	71 Å²	71	63.6 Å²	63.6	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-53.3	-42.1	175.3	-27.1	36.5	0	0	0	113.3	R106 E107	P103-R106 PolarHBondContact O-N 3.12Å; P103-E107 PolarHBondContact O-N 2.97Å
104	E	87	Confident	90.7	Very high	121 Å²	121	56.1 Å²	56.1	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-68	-41.5	-179.3	-56.8	72	-153.5	0	0	111.4	S102 R106 E107 E108	S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 WeakPolarHBondContact CB-OE2 3.33Å; S102-E104 PolarHBondContact O-N 3.43Å; S102-E104 PolarHBondContact OG-OE2 2.79Å; E104-R106 VanDerWaalsContact C-N 3.32Å; E104-R106 PolarHBondContact O-N 2.73Å; E104-E107 PolarHBondContact O-N 2.84Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.17Å
105	D	89.4	Confident	91	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-34.4	176.7	-78.5	-14.3	0	0	0	111.8	L99 G100 S102 N109	L99-D105 HydrophobicContact CB-CB 4.19Å; G100-D105 VanDerWaalsContact CA-OD2 3.27Å; G100-D105 WeakPolarHBondContact CA-OD2 3.27Å; G100-D105 PolarHBondContact N-OD2 2.86Å; S102-D105 PolarHBondContact O-N 2.88Å; S102-D105 WeakPolarHBondContact OG-CB 3.16Å; S102-D105 PolarHBondContact OG-N 2.74Å; D105-N109 WeakPolarHBondContact O-CB 3.31Å; D105-N109 PolarHBondContact O-N 3.26Å
106	R	85.8	Confident	91.3	Very high	44 Å²	44	54.3 Å²	54.3	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-43	175.2	-71.8	175	-171.6	-156.5	-2.4	111.4	F101 S102 P103 E104 N109 I110 G184	F101-R106 PolarHBondContact O-NE 3.41Å; F101-R106 PolarHBondContact O-NH2 3.39Å; S102-R106 VanDerWaalsContact O-CG 3.29Å; S102-R106 WeakPolarHBondContact O-CG 3.44Å; S102-R106 PolarHBondContact O-N 2.71Å; P103-R106 PolarHBondContact O-N 3.12Å; E104-R106 VanDerWaalsContact C-N 3.32Å; E104-R106 PolarHBondContact O-N 2.73Å; R106-N109 WeakPolarHBondContact O-CB 3.28Å; R106-N109 PolarHBondContact O-N 2.78Å; R106-I110 WeakPolarHBondContact O-CG1 3.38Å; R106-I110 PolarHBondContact O-N 2.94Å; R106-I110 VanDerWaalsContact O-N 3.11Å; R106-G184 VanDerWaalsContact CZ-O 3.3Å; R106-G184 PolarHBondContact NH1-O 2.68Å; R106-G184 PolarHBondContact NH2-O 3.03Å
107	E	89.4	Confident	91.4	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.271	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-50.2	175.5	-178.5	174.6	162.4	0	0	110.8	P103 E104 N109 I110 R111 R137	P103-E107 PolarHBondContact O-N 2.97Å; E104-E107 PolarHBondContact O-N 2.84Å; E107-N109 VanDerWaalsContact C-N 3.3Å; E107-N109 PolarHBondContact O-N 2.87Å; E107-I110 PolarHBondContact O-N 2.88Å; E107-R111 WeakPolarHBondContact O-CB 2.96Å; E107-R111 PolarHBondContact O-N 3.37Å; E107-R137 IonicContact OE2-CZ 3.36Å; E107-R137 IonicContact OE2-NH1 3.72Å; E107-R137 IonicContact OE2-NH2 3.16Å; E107-R137 PolarHBondContact OE2-NH2 2.99Å
108	E	93.5	Very high	91.7	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-36.5	177.3	176.3	60.1	-171.4	0	0	112.1	L99 E104 R111 R112	L99-E108 HydrophobicContact CD1-CB 4.37Å; L99-E108 HydrophobicContact CD1-CG 4.01Å; L99-E108 HydrophobicContact CD2-CB 4.33Å; L99-E108 HydrophobicContact CD2-CG 3.89Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.17Å; E108-R111 VanDerWaalsContact CD-NH2 3.35Å; E108-R111 PolarHBondContact O-N 3.03Å; E108-R111 IonicContact OE1-CZ 3.04Å; E108-R111 IonicContact OE1-NE 3.66Å; E108-R111 IonicContact OE1-NH2 4Å; E108-R111 PolarHBondContact OE1-NH2 3.37Å; E108-R111 IonicContact OE2-CZ 2.74Å; E108-R111 IonicContact OE2-NE 3.82Å; E108-R111 PolarHBondContact OE2-NE 2.83Å; E108-R111 IonicContact OE2-NH2 2.75Å; E108-R111 PolarHBondContact OE2-NH2 2.85Å; E108-R111 VanDerWaalsContact OE2-NH2 3.16Å; E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 WeakPolarHBondContact OE1-CG 3.41Å; E108-R112 IonicContact OE1-CZ 3.6Å; E108-R112 IonicContact OE1-NE 2.67Å; E108-R112 PolarHBondContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.54Å
109	N	92.5	Very high	92	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-50.3	175	169.3	86	0	0	0	110.7	N96 L99 D105 R106 E107 R112 I113	N96-N109 PolarHBondContact ND2-O 3.25Å; N96-N109 PolarHBondContact ND2-OD1 2.86Å; L99-N109 HydrophobicContact CD1-CB 3.79Å; D105-N109 WeakPolarHBondContact O-CB 3.31Å; D105-N109 PolarHBondContact O-N 3.26Å; R106-N109 WeakPolarHBondContact O-CB 3.28Å; R106-N109 PolarHBondContact O-N 2.78Å; E107-N109 VanDerWaalsContact C-N 3.3Å; E107-N109 PolarHBondContact O-N 2.87Å; N109-R112 PolarHBondContact O-N 3.16Å; N109-I113 WeakPolarHBondContact ND2-CD1 3.38Å; N109-I113 VanDerWaalsContact O-CD1 3.25Å; N109-I113 WeakPolarHBondContact O-CD1 3.36Å; N109-I113 VanDerWaalsContact O-CG1 3.24Å; N109-I113 WeakPolarHBondContact O-CG1 3.48Å; N109-I113 PolarHBondContact O-N 3.28Å; N109-I113 VanDerWaalsContact O-N 3.14Å
110	I	94.2	Very high	92.4	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-39.8	179	-62.9	-58.5	0	0	0	111.4	W56 R106 E107 R112 I113 A114 F131 D138	W56-I110 HydrophobicContact CH2-CG2 4.01Å; W56-I110 HydrophobicContact CZ2-CD1 4.46Å; W56-I110 HydrophobicContact CZ2-CG2 3.79Å; R106-I110 WeakPolarHBondContact O-CG1 3.38Å; R106-I110 PolarHBondContact O-N 2.94Å; R106-I110 VanDerWaalsContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 2.88Å; I110-R112 PolarHBondContact O-N 2.83Å; I110-I113 HydrophobicContact CD1-CD1 4.3Å; I110-I113 PolarHBondContact O-N 2.91Å; I110-A114 WeakPolarHBondContact O-CB 3.23Å; I110-A114 PolarHBondContact O-N 2.85Å; I110-F131 HydrophobicContact CD1-CB 4.23Å; I110-D138 HydrophobicContact CB-CB 4.23Å; I110-D138 HydrophobicContact CG2-CB 3.77Å
111	R	96.2	Very high	93.1	Very high	90 Å²	90	49.8 Å²	49.8	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-44.9	176.5	-166	-161.5	65.8	71	4.2	112.2	E107 E108 A114 E115	E107-R111 WeakPolarHBondContact O-CB 2.96Å; E107-R111 PolarHBondContact O-N 3.37Å; E108-R111 VanDerWaalsContact CD-NH2 3.35Å; E108-R111 PolarHBondContact O-N 3.03Å; E108-R111 IonicContact OE1-CZ 3.04Å; E108-R111 IonicContact OE1-NE 3.66Å; E108-R111 IonicContact OE1-NH2 4Å; E108-R111 PolarHBondContact OE1-NH2 3.37Å; E108-R111 IonicContact OE2-CZ 2.74Å; E108-R111 IonicContact OE2-NE 3.82Å; E108-R111 PolarHBondContact OE2-NE 2.83Å; E108-R111 IonicContact OE2-NH2 2.75Å; E108-R111 PolarHBondContact OE2-NH2 2.85Å; E108-R111 VanDerWaalsContact OE2-NH2 3.16Å; R111-A114 PolarHBondContact O-N 3.49Å; R111-E115 PolarHBondContact O-N 3.09Å; R111-E115 VanDerWaalsContact O-N 3.12Å
112	R	96.6	Very high	93.7	Very high	54 Å²	54	44.2 Å²	44.2	20%	0.204	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-44	176.6	-73.7	179.4	-175.7	-169.4	7.6	112	L95 N96 N98 E108 N109 I110 A114 E115 V116	L95-R112 HydrophobicContact CD2-CB 4.35Å; L95-R112 PolarHBondContact O-NH1 3.44Å; N96-R112 WeakPolarHBondContact OD1-CD 3.22Å; N98-R112 PolarHBondContact OD1-NH1 3.43Å; E108-R112 HydrophobicContact CG-CG 4.45Å; E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.45Å; E108-R112 WeakPolarHBondContact OE1-CG 3.41Å; E108-R112 IonicContact OE1-CZ 3.6Å; E108-R112 IonicContact OE1-NE 2.67Å; E108-R112 PolarHBondContact OE1-NE 3.12Å; E108-R112 IonicContact OE1-NH2 3.54Å; N109-R112 PolarHBondContact O-N 3.16Å; I110-R112 PolarHBondContact O-N 2.83Å; R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.39Å; R112-E115 PolarHBondContact O-N 3.27Å; R112-V116 WeakPolarHBondContact O-CG2 3.41Å; R112-V116 PolarHBondContact O-N 2.74Å
113	I	96.6	Very high	94.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-44.4	177	-68.6	158.1	0	0	0	110.4	W56 L86 I91 N109 I110 E115 V116 A117 A129 F131	W56-I113 HydrophobicContact CH2-CB 4.23Å; W56-I113 HydrophobicContact CH2-CG2 3.65Å; W56-I113 HydrophobicContact CZ3-CG2 3.81Å; L86-I113 HydrophobicContact CD1-CG2 4.46Å; I91-I113 HydrophobicContact CG1-CG1 4.42Å; I91-I113 HydrophobicContact CG2-CD1 4.28Å; I91-I113 HydrophobicContact CG2-CG1 3.91Å; N109-I113 WeakPolarHBondContact ND2-CD1 3.38Å; N109-I113 VanDerWaalsContact O-CD1 3.25Å; N109-I113 WeakPolarHBondContact O-CD1 3.36Å; N109-I113 VanDerWaalsContact O-CG1 3.24Å; N109-I113 WeakPolarHBondContact O-CG1 3.48Å; N109-I113 PolarHBondContact O-N 3.28Å; N109-I113 VanDerWaalsContact O-N 3.14Å; I110-I113 HydrophobicContact CD1-CD1 4.3Å; I110-I113 PolarHBondContact O-N 2.91Å; I113-E115 PolarHBondContact O-N 3.05Å; I113-V116 PolarHBondContact O-N 2.86Å; I113-A117 WeakPolarHBondContact O-CB 3.37Å; I113-A117 PolarHBondContact O-N 3Å; I113-A129 HydrophobicContact CG2-CB 4.44Å; I113-F131 HydrophobicContact CB-CE2 4.34Å; I113-F131 HydrophobicContact CD1-CD1 3.53Å; I113-F131 HydrophobicContact CD1-CD2 3.98Å; I113-F131 HydrophobicContact CD1-CE1 3.29Å; I113-F131 HydrophobicContact CD1-CE2 3.78Å; I113-F131 HydrophobicContact CD1-CG 3.87Å; I113-F131 HydrophobicContact CD1-CZ 3.43Å; I113-F131 VanDerWaalsContact CD1-CZ 3.43Å; I113-F131 HydrophobicContact CG1-CE1 4.14Å; I113-F131 HydrophobicContact CG1-CE2 4.06Å; I113-F131 HydrophobicContact CG1-CZ 3.8Å; I113-F131 HydrophobicContact CG2-CD2 3.75Å; I113-F131 HydrophobicContact CG2-CE2 3.35Å; I113-F131 HydrophobicContact CG2-CZ 3.98Å
114	A	97.6	Very high	95	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-43.1	179	0	0	0	0	0	112.9	W56 I110 R111 R112 A117 R118 A142 I145 H146	W56-A114 HydrophobicContact CH2-CB 4.29Å; W56-A114 HydrophobicContact CZ3-CB 4.23Å; I110-A114 WeakPolarHBondContact O-CB 3.23Å; I110-A114 PolarHBondContact O-N 2.85Å; R111-A114 PolarHBondContact O-N 3.49Å; R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.39Å; A114-A117 PolarHBondContact O-N 2.75Å; A114-R118 WeakPolarHBondContact O-CB 3.49Å; A114-R118 PolarHBondContact O-N 3.45Å; A114-A142 HydrophobicContact CB-CB 3.52Å; A114-I145 HydrophobicContact CB-CD1 4.01Å; A114-H146 PolarHBondContact O-CE1 3.22Å
115	E	97.8	Very high	95.5	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-41.5	175.6	-72.3	-70.4	172.4	0	0	112.2	R111 R112 I113 R118 L119 I145	R111-E115 PolarHBondContact O-N 3.09Å; R111-E115 VanDerWaalsContact O-N 3.12Å; R112-E115 PolarHBondContact O-N 3.27Å; I113-E115 PolarHBondContact O-N 3.05Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 3.13Å; E115-R118 IonicContact OE1-NH1 3.56Å; E115-R118 IonicContact OE2-CZ 2.65Å; E115-R118 IonicContact OE2-NE 2.65Å; E115-R118 IonicContact OE2-NH1 3.3Å; E115-R118 PolarHBondContact OE2-NH1 3.02Å; E115-R118 IonicContact OE2-NH2 2.87Å; E115-R118 PolarHBondContact OE2-NH2 2.93Å; E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.76Å; E115-L119 VanDerWaalsContact O-N 3.11Å; E115-I145 HydrophobicContact CG-CD1 4.48Å
116	V	97.7	Very high	96	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-44.2	177.1	174.3	0	0	0	0	111.1	L86 L95 R112 I113 R118 L119 F120	L86-V116 HydrophobicContact CD1-CB 4.28Å; L86-V116 HydrophobicContact CD1-CG1 3.83Å; L86-V116 HydrophobicContact CD2-CG1 4.21Å; L95-V116 HydrophobicContact CD2-CG2 3.5Å; R112-V116 WeakPolarHBondContact O-CG2 3.41Å; R112-V116 PolarHBondContact O-N 2.74Å; I113-V116 PolarHBondContact O-N 2.86Å; V116-R118 VanDerWaalsContact C-N 3.27Å; V116-R118 PolarHBondContact O-N 2.78Å; V116-L119 WeakPolarHBondContact O-CA 3.34Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.26Å; V116-F120 HydrophobicContact CG1-CD2 3.77Å; V116-F120 HydrophobicContact CG1-CE2 3.65Å; V116-F120 WeakPolarHBondContact O-CD2 3.3Å; V116-F120 PolarHBondContact O-N 3.37Å
117	A	98.1	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-42.1	175.8	0	0	0	0	0	111.2	T54 L86 I113 A114 L119 F120 A121	T54-A117 HydrophobicContact CG2-CB 3.87Å; T54-A117 PolarHBondContact OG1-O 2.9Å; L86-A117 HydrophobicContact CD1-CB 4.01Å; I113-A117 WeakPolarHBondContact O-CB 3.37Å; I113-A117 PolarHBondContact O-N 3Å; A114-A117 PolarHBondContact O-N 2.75Å; A117-L119 VanDerWaalsContact C-N 3.29Å; A117-L119 PolarHBondContact O-N 2.74Å; A117-F120 PolarHBondContact O-N 3.02Å; A117-A121 WeakPolarHBondContact O-CB 3.38Å; A117-A121 PolarHBondContact O-N 3.4Å
118	R	98.1	Very high	97	Very high	65 Å²	65	29.8 Å²	29.8	25%	0.245	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-38.6	173.4	-169	-154.5	65.9	-144.4	-15.6	112	A114 E115 V116 D122 I145 H146 A149 L151	A114-R118 WeakPolarHBondContact O-CB 3.49Å; A114-R118 PolarHBondContact O-N 3.45Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 3.13Å; E115-R118 IonicContact OE1-NH1 3.56Å; E115-R118 IonicContact OE2-CZ 2.65Å; E115-R118 IonicContact OE2-NE 2.65Å; E115-R118 IonicContact OE2-NH1 3.3Å; E115-R118 PolarHBondContact OE2-NH1 3.02Å; E115-R118 IonicContact OE2-NH2 2.87Å; E115-R118 PolarHBondContact OE2-NH2 2.93Å; V116-R118 VanDerWaalsContact C-N 3.27Å; V116-R118 PolarHBondContact O-N 2.78Å; R118-D122 VanDerWaalsContact O-CB 3.32Å; R118-D122 WeakPolarHBondContact O-CB 3.45Å; R118-D122 PolarHBondContact O-N 3.11Å; R118-I145 HydrophobicContact CB-CG2 4.02Å; R118-I145 HydrophobicContact CG-CG2 4.17Å; R118-H146 WeakPolarHBondContact CA-NE2 3.45Å; R118-H146 PolarHBondContact N-NE2 3.43Å; R118-A149 HydrophobicContact CG-CB 4.26Å; R118-L151 HydrophobicContact CG-CD1 3.69Å
119	L	97.6	Very high	97.2	Very high	102 Å²	102	27.5 Å²	27.5	53%	0.534	13%	0.134	S	C	.	.	H	α-helix	trans	-67.5	-40.8	177.6	-68.2	173.1	0	0	0	112.1	E115 V116 A117 D122 A123	E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.76Å; E115-L119 VanDerWaalsContact O-N 3.11Å; V116-L119 WeakPolarHBondContact O-CA 3.34Å; V116-L119 WeakPolarHBondContact O-CB 3.37Å; V116-L119 PolarHBondContact O-N 3.26Å; A117-L119 VanDerWaalsContact C-N 3.29Å; A117-L119 PolarHBondContact O-N 2.74Å; L119-D122 PolarHBondContact O-N 2.87Å; L119-A123 WeakPolarHBondContact O-CB 3.46Å; L119-A123 PolarHBondContact O-N 3.03Å
120	F	98.3	Very high	97.4	Very high	56 Å²	56	27.5 Å²	27.5	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-44.6	174.2	-83.8	-78.6	0	0	0	112	Y84 L86 V116 A117 A123 G124 L125 C127	Y84-F120 HydrophobicContact CD1-CD1 4.43Å; Y84-F120 AromaticContact CD1-CE1 3.76Å; Y84-F120 HydrophobicContact CD1-CE1 3.76Å; Y84-F120 HydrophobicContact CD1-CE2 4.09Å; Y84-F120 AromaticContact CD1-CZ 3.56Å; Y84-F120 HydrophobicContact CD1-CZ 3.56Å; Y84-F120 HydrophobicContact CE1-CE1 4.43Å; Y84-F120 HydrophobicContact CE1-CE2 4.45Å; Y84-F120 AromaticContact CE1-CZ 3.89Å; Y84-F120 HydrophobicContact CE1-CZ 3.89Å; Y84-F120 HydrophobicContact CG-CD1 4.41Å; Y84-F120 AromaticContact CG-CE1 3.82Å; Y84-F120 HydrophobicContact CG-CE1 3.82Å; Y84-F120 HydrophobicContact CG-CZ 4.1Å; L86-F120 HydrophobicContact CD2-CD2 4.3Å; L86-F120 HydrophobicContact CD2-CE2 3.91Å; V116-F120 HydrophobicContact CG1-CD2 3.77Å; V116-F120 HydrophobicContact CG1-CE2 3.65Å; V116-F120 WeakPolarHBondContact O-CD2 3.3Å; V116-F120 PolarHBondContact O-N 3.37Å; A117-F120 PolarHBondContact O-N 3.02Å; F120-A123 WeakPolarHBondContact O-CB 3.49Å; F120-A123 PolarHBondContact O-N 3.39Å; F120-G124 PolarHBondContact O-N 2.88Å; F120-L125 HydrophobicContact CD1-CD2 4.16Å; F120-L125 PolarHBondContact O-N 2.75Å; F120-L125 VanDerWaalsContact O-N 3.12Å; F120-C127 HydrophobicContact CB-CB 3.77Å
121	A	98.1	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-46.9	173.3	0	0	0	0	0	110.8	F50 G52 A117 A123 G124 L151	F50-A121 VanDerWaalsContact CZ-O 3.32Å; F50-A121 WeakPolarHBondContact CZ-O 3.21Å; G52-A121 WeakPolarHBondContact CA-O 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.38Å; A117-A121 PolarHBondContact O-N 3.4Å; A121-A123 VanDerWaalsContact C-N 3.25Å; A121-A123 PolarHBondContact O-N 2.81Å; A121-G124 PolarHBondContact O-N 3.22Å; A121-L151 HydrophobicContact CB-CD1 4.03Å; A121-L151 HydrophobicContact CB-CD2 4.29Å
122	D	97.1	Very high	97.2	Very high	25 Å²	25	25.9 Å²	25.9	13%	0.134	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-36.7	176.7	-170.2	70.6	0	0	0	111.9	H33 R37 R40 R118 L119 G124 L151	H33-D122 IonicContact NE2-OD2 3.06Å; R37-D122 IonicContact CZ-OD1 2.77Å; R37-D122 IonicContact NE-OD1 3.31Å; R37-D122 PolarHBondContact NE-OD1 3.13Å; R37-D122 IonicContact NH2-OD1 3.5Å; R37-D122 PolarHBondContact NH2-OD1 2.96Å; R40-D122 PolarHBondContact NH1-O 3.45Å; R40-D122 PolarHBondContact NH2-O 3.42Å; R40-D122 IonicContact NH2-OD1 3.7Å; R40-D122 IonicContact NH2-OD2 3.32Å; R40-D122 PolarHBondContact NH2-OD2 3.17Å; R118-D122 VanDerWaalsContact O-CB 3.32Å; R118-D122 WeakPolarHBondContact O-CB 3.45Å; R118-D122 PolarHBondContact O-N 3.11Å; L119-D122 PolarHBondContact O-N 2.87Å; D122-G124 PolarHBondContact O-N 3.4Å; D122-L151 HydrophobicContact CB-CD1 4Å
123	A	96.9	Very high	97	Very high	42 Å²	42	23.4 Å²	23.4	35%	0.347	12%	0.122	S	C	.	.	H	α-helix	trans	-65.5	-16.8	176.3	0	0	0	0	0	113.4	R40 L119 F120 A121 L125	R40-A123 PolarHBondContact NH1-O 2.63Å; L119-A123 WeakPolarHBondContact O-CB 3.46Å; L119-A123 PolarHBondContact O-N 3.03Å; F120-A123 WeakPolarHBondContact O-CB 3.49Å; F120-A123 PolarHBondContact O-N 3.39Å; A121-A123 VanDerWaalsContact C-N 3.25Å; A121-A123 PolarHBondContact O-N 2.81Å; A123-L125 HydrophobicContact CB-CD1 4.11Å
124	G	96.8	Very high	96.8	Very high	3 Å²	3	24 Å²	24	3%	0.031	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.1	7.8	176.8	0	0	0	0	0	114.7	F50 F120 A121 D122	F50-G124 VanDerWaalsContact CE2-CA 3.5Å; F120-G124 PolarHBondContact O-N 2.88Å; A121-G124 PolarHBondContact O-N 3.22Å; D122-G124 PolarHBondContact O-N 3.4Å
125	L	98.5	Very high	96.6	Very high	37 Å²	37	26.1 Å²	26.1	19%	0.194	13%	0.134	C	C	.	.			trans	-91.8	154.9	178.5	-75.1	76.6	0	0	0	110.9	V44 G52 C53 P82 F120 A123 C127	V44-L125 HydrophobicContact CG1-CD1 4.34Å; G52-L125 WeakPolarHBondContact CA-O 3.25Å; C53-L125 PolarHBondContact N-O 2.92Å; P82-L125 HydrophobicContact CB-CG 4.3Å; F120-L125 HydrophobicContact CD1-CD2 4.16Å; F120-L125 PolarHBondContact O-N 2.75Å; F120-L125 VanDerWaalsContact O-N 3.12Å; A123-L125 HydrophobicContact CB-CD1 4.11Å; L125-C127 PolarHBondContact O-N 3.44Å
126	V	98.6	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.9	162.9	-178.5	0	0	0	0	108.2	V55 L76 I81 P82 C83 Y84 L128 I225	V55-V126 HydrophobicContact CG2-CG1 4.16Å; L76-V126 HydrophobicContact CD1-CB 4.01Å; L76-V126 HydrophobicContact CD1-CG1 3.72Å; L76-V126 HydrophobicContact CD1-CG2 4.46Å; I81-V126 HydrophobicContact CG2-CG2 3.84Å; P82-V126 PolarHBondContact O-N 2.95Å; P82-V126 VanDerWaalsContact O-N 3.16Å; C83-V126 CarbonylContact C-O 3.58Å; C83-V126 WeakPolarHBondContact CA-O 3.26Å; C83-V126 HydrophobicContact CB-CB 3.95Å; C83-V126 WeakPolarHBondContact CB-O 3.27Å; Y84-V126 PolarHBondContact N-O 3.12Å; V126-L128 HydrophobicContact CG1-CD2 3.84Å; V126-I225 HydrophobicContact CG2-CG2 3.87Å
127	C	98.6	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123	177.8	-171	0	0	0	0	110.6	C53 T54 V55 Y84 L86 F120 L125	C53-C127 PolarHBondContact O-N 3.21Å; T54-C127 CarbonylContact C-O 3.52Å; T54-C127 WeakPolarHBondContact CA-O 3.45Å; V55-C127 PolarHBondContact N-O 2.99Å; Y84-C127 WeakPolarHBondContact O-CA 3.15Å; L86-C127 VanDerWaalsContact CD1-SG 3.55Å; F120-C127 HydrophobicContact CB-CB 3.77Å; L125-C127 PolarHBondContact O-N 3.44Å
128	L	98.4	Very high	96.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.3	177.9	-51.6	-177	0	0	0	109.3	V55 S69 L72 E73 L76 Y84 T85 L86 V126	V55-L128 HydrophobicContact CB-CD2 3.71Å; V55-L128 HydrophobicContact CG1-CD2 4.4Å; V55-L128 HydrophobicContact CG2-CD2 3.92Å; S69-L128 WeakPolarHBondContact O-CD1 3.02Å; L72-L128 HydrophobicContact CB-CD1 4.21Å; L72-L128 HydrophobicContact CD2-CD1 4.24Å; L72-L128 HydrophobicContact CD2-CD2 3.61Å; L72-L128 HydrophobicContact CG-CD1 4.16Å; L72-L128 HydrophobicContact CG-CD2 4.26Å; E73-L128 HydrophobicContact CB-CD1 3.93Å; L76-L128 HydrophobicContact CD1-CD2 4.42Å; Y84-L128 PolarHBondContact O-N 2.78Å; T85-L128 CarbonylContact C-O 3.55Å; T85-L128 WeakPolarHBondContact CA-O 3.39Å; T85-L128 HydrophobicContact CG2-CB 4.36Å; L86-L128 PolarHBondContact N-O 3.44Å; V126-L128 HydrophobicContact CG1-CD2 3.84Å
129	A	97.4	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.5	179.1	0	0	0	0	0	110.6	V55 W56 L57 L86 I113 F131	V55-A129 PolarHBondContact O-N 3.33Å; W56-A129 HydrophobicContact CD2-CB 4.04Å; W56-A129 HydrophobicContact CE3-CB 3.55Å; W56-A129 HydrophobicContact CZ3-CB 3.91Å; L57-A129 WeakPolarHBondContact CB-O 3.3Å; L57-A129 PolarHBondContact N-O 3.42Å; L86-A129 WeakPolarHBondContact O-CA 3.48Å; I113-A129 HydrophobicContact CG2-CB 4.44Å; A129-F131 HydrophobicContact CB-CD2 4.16Å; A129-F131 HydrophobicContact CB-CE2 4.24Å
130	S	96.1	Very high	96.2	Very high	7 Å²	7	26.4 Å²	26.4	5%	0.049	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	81	-173	-162.4	0	0	0	0	111.8	K65 T66 S69 L86	K65-S130 VanDerWaalsContact C-OG 3.3Å; K65-S130 WeakPolarHBondContact CB-OG 3.46Å; K65-S130 PolarHBondContact O-OG 3.3Å; T66-S130 PolarHBondContact N-OG 3.4Å; S69-S130 PolarHBondContact OG-OG 3.46Å; L86-S130 PolarHBondContact O-N 3.11Å
131	F	93.9	Very high	96.1	Very high	12 Å²	12	27 Å²	27	5%	0.053	14%	0.139	C	C	.	.			trans	-136.3	150.4	-174	-61.3	-86	0	0	0	112.6	L57 K65 L86 D87 I91 I110 I113 A129 S133	L57-F131 PolarHBondContact O-N 2.85Å; K65-F131 WeakPolarHBondContact CD-O 3.47Å; L86-F131 HydrophobicContact CB-CE2 3.92Å; L86-F131 HydrophobicContact CB-CZ 4.21Å; L86-F131 WeakPolarHBondContact O-CE2 3.44Å; D87-F131 WeakPolarHBondContact O-CE1 3.47Å; D87-F131 WeakPolarHBondContact O-CZ 3.49Å; I91-F131 HydrophobicContact CB-CE1 4.41Å; I91-F131 HydrophobicContact CB-CZ 4.21Å; I91-F131 HydrophobicContact CG1-CZ 3.96Å; I110-F131 HydrophobicContact CD1-CB 4.23Å; I113-F131 HydrophobicContact CB-CE2 4.34Å; I113-F131 HydrophobicContact CD1-CD1 3.53Å; I113-F131 HydrophobicContact CD1-CD2 3.98Å; I113-F131 HydrophobicContact CD1-CE1 3.29Å; I113-F131 HydrophobicContact CD1-CE2 3.78Å; I113-F131 HydrophobicContact CD1-CG 3.87Å; I113-F131 HydrophobicContact CD1-CZ 3.43Å; I113-F131 VanDerWaalsContact CD1-CZ 3.43Å; I113-F131 HydrophobicContact CG1-CE1 4.14Å; I113-F131 HydrophobicContact CG1-CE2 4.06Å; I113-F131 HydrophobicContact CG1-CZ 3.8Å; I113-F131 HydrophobicContact CG2-CD2 3.75Å; I113-F131 HydrophobicContact CG2-CE2 3.35Å; I113-F131 HydrophobicContact CG2-CZ 3.98Å; A129-F131 HydrophobicContact CB-CD2 4.16Å; A129-F131 HydrophobicContact CB-CE2 4.24Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3.18Å; F131-S133 PolarHBondContact O-OG 2.95Å
132	I	92.8	Very high	96.1	Very high	53 Å²	53	27 Å²	27	27%	0.272	14%	0.139	S	C	.	.			trans	-56.6	-44.6	176.9	-61.6	176.2	0	0	0	110.6	T58 G59 P134 T186 Y192	T58-I132 PolarHBondContact OG1-O 3.45Å; G59-I132 WeakPolarHBondContact O-CA 3.45Å; I132-P134 HydrophobicContact CG2-CB 4.22Å; I132-P134 HydrophobicContact CG2-CG 4.48Å; I132-T186 HydrophobicContact CG2-CG2 3.84Å; I132-Y192 HydrophobicContact CG2-CD2 4.35Å; I132-Y192 WeakPolarHBondContact O-CE2 3.39Å
133	S	92.3	Very high	96.1	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.138	C	C	.	.			trans	40.7	60.3	176.7	55.8	0	0	0	0	113.3	W56 T58 F131 Y135 R139	W56-S133 PolarHBondContact NE1-OG 3.45Å; W56-S133 VanDerWaalsContact NE1-OG 3.09Å; T58-S133 VanDerWaalsContact CB-OG 3.22Å; T58-S133 WeakPolarHBondContact CB-OG 3.47Å; T58-S133 PolarHBondContact OG1-O 3.42Å; T58-S133 PolarHBondContact OG1-OG 3.12Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3.18Å; F131-S133 PolarHBondContact O-OG 2.95Å; S133-Y135 PolarHBondContact O-N 3.03Å; S133-R139 VanDerWaalsContact O-CD 3.32Å; S133-R139 WeakPolarHBondContact O-CD 3.48Å; S133-R139 PolarHBondContact O-NH1 2.89Å
134	P	92.1	Very high	96.2	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.084	15%	0.149	C	C	.	.			trans	-71.9	-26.5	-162.1	28.5	-35.5	0	0	0	114.9	I132 R139 T186 Y192 E193	I132-P134 HydrophobicContact CG2-CB 4.22Å; I132-P134 HydrophobicContact CG2-CG 4.48Å; P134-R139 VanDerWaalsContact C-NH1 3.33Å; P134-R139 PolarHBondContact O-NH1 3.02Å; P134-R139 VanDerWaalsContact O-NH1 3.09Å; P134-T186 HydrophobicContact CB-CG2 3.71Å; P134-T186 HydrophobicContact CG-CG2 4.5Å; P134-Y192 HydrophobicContact CB-CD2 3.97Å; P134-E193 WeakPolarHBondContact O-CB 3.44Å; P134-E193 PolarHBondContact O-N 3.44Å
135	Y	93.9	Very high	96.2	Very high	45 Å²	45	32.4 Å²	32.4	18%	0.176	15%	0.153	C	C	.	.			trans	-95.6	132.1	-174.8	-52.8	-56.2	0	0	0	111.4	S133 R137 D138 R139	S133-Y135 PolarHBondContact O-N 3.03Å; Y135-R137 VanDerWaalsContact C-N 3.27Å; Y135-R137 PolarHBondContact O-N 3.06Å; Y135-D138 WeakPolarHBondContact CD2-OD2 3.02Å; Y135-D138 PolarHBondContact O-N 3.34Å; Y135-D138 VanDerWaalsContact O-N 3.16Å; Y135-R139 PolarHBondContact O-N 3.35Å
136	S	94.9	Very high	96.2	Very high	27 Å²	27	30.6 Å²	30.6	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-38.4	-179.7	-50.8	0	0	0	0	111.3	D138 R139 L140 E193	S136-D138 VanDerWaalsContact C-N 3.26Å; S136-D138 PolarHBondContact O-N 3.32Å; S136-R139 PolarHBondContact O-N 3.4Å; S136-R139 PolarHBondContact OG-NH2 2.94Å; S136-L140 WeakPolarHBondContact O-CB 3.38Å; S136-L140 VanDerWaalsContact O-CG 3.25Å; S136-L140 WeakPolarHBondContact O-CG 3.14Å; S136-L140 PolarHBondContact O-N 3.35Å; S136-E193 WeakPolarHBondContact CB-OE2 3.06Å; S136-E193 PolarHBondContact N-OE2 3.39Å; S136-E193 VanDerWaalsContact OG-CB 3.25Å; S136-E193 WeakPolarHBondContact OG-CB 3.18Å; S136-E193 PolarHBondContact OG-OE2 3.3Å
137	R	95.8	Very high	96.1	Very high	135 Å²	135	35.8 Å²	35.8	51%	0.509	17%	0.168	S	C	.	.	H	α-helix	trans	-57	-39.3	177.3	76.4	-173.7	-174.9	167.2	6.9	112.5	E107 Y135 N141	E107-R137 IonicContact OE2-CZ 3.36Å; E107-R137 IonicContact OE2-NH1 3.72Å; E107-R137 IonicContact OE2-NH2 3.16Å; E107-R137 PolarHBondContact OE2-NH2 2.99Å; Y135-R137 VanDerWaalsContact C-N 3.27Å; Y135-R137 PolarHBondContact O-N 3.06Å; R137-N141 WeakPolarHBondContact O-CB 3.49Å; R137-N141 PolarHBondContact O-N 2.89Å
138	D	95.2	Very high	95.9	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-74.3	-41	-176.4	-59.6	-15.6	0	0	0	110.3	I110 Y135 S136 N141 A142	I110-D138 HydrophobicContact CB-CB 4.23Å; I110-D138 HydrophobicContact CG2-CB 3.77Å; Y135-D138 WeakPolarHBondContact CD2-OD2 3.02Å; Y135-D138 PolarHBondContact O-N 3.34Å; Y135-D138 VanDerWaalsContact O-N 3.16Å; S136-D138 VanDerWaalsContact C-N 3.26Å; S136-D138 PolarHBondContact O-N 3.32Å; D138-N141 PolarHBondContact O-N 3.28Å; D138-A142 PolarHBondContact O-N 2.83Å
139	R	97.1	Very high	95.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-42.5	175.6	-60.5	-168.3	-55.8	-92.2	-0.7	111.7	T58 S133 P134 Y135 S136 N141 A142 R143 E155 E193	T58-R139 WeakPolarHBondContact OG1-CD 3.46Å; S133-R139 VanDerWaalsContact O-CD 3.32Å; S133-R139 WeakPolarHBondContact O-CD 3.48Å; S133-R139 PolarHBondContact O-NH1 2.89Å; P134-R139 VanDerWaalsContact C-NH1 3.33Å; P134-R139 PolarHBondContact O-NH1 3.02Å; P134-R139 VanDerWaalsContact O-NH1 3.09Å; Y135-R139 PolarHBondContact O-N 3.35Å; S136-R139 PolarHBondContact O-N 3.4Å; S136-R139 PolarHBondContact OG-NH2 2.94Å; R139-N141 VanDerWaalsContact C-N 3.31Å; R139-N141 PolarHBondContact O-N 3.48Å; R139-A142 WeakPolarHBondContact O-CB 3.38Å; R139-A142 PolarHBondContact O-N 2.91Å; R139-R143 PolarHBondContact O-N 2.8Å; R139-E155 WeakPolarHBondContact CD-OE1 3.41Å; R139-E155 IonicContact CZ-OE1 3.98Å; R139-E155 IonicContact NE-OE1 3.48Å; R139-E155 PolarHBondContact NE-OE1 3.22Å; R139-E193 PolarHBondContact NH1-O 3.2Å; R139-E193 PolarHBondContact NH2-O 2.82Å
140	L	96.8	Very high	95.6	Very high	84 Å²	84	44.3 Å²	44.3	44%	0.44	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-37.9	173.8	-73.9	171.8	0	0	0	112	S136 R143 K144	S136-L140 WeakPolarHBondContact O-CB 3.38Å; S136-L140 VanDerWaalsContact O-CG 3.25Å; S136-L140 WeakPolarHBondContact O-CG 3.14Å; S136-L140 PolarHBondContact O-N 3.35Å; L140-R143 PolarHBondContact O-N 2.85Å; L140-K144 WeakPolarHBondContact O-CB 3.24Å; L140-K144 VanDerWaalsContact O-CG 3.27Å; L140-K144 WeakPolarHBondContact O-CG 3.31Å; L140-K144 PolarHBondContact O-N 3.42Å
141	N	96.9	Very high	95.7	Very high	68 Å²	68	44.2 Å²	44.2	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-44.1	173.2	-176.2	54	0	0	0	111.5	R137 D138 R139 R143 K144 I145	R137-N141 WeakPolarHBondContact O-CB 3.49Å; R137-N141 PolarHBondContact O-N 2.89Å; D138-N141 PolarHBondContact O-N 3.28Å; R139-N141 VanDerWaalsContact C-N 3.31Å; R139-N141 PolarHBondContact O-N 3.48Å; N141-R143 VanDerWaalsContact C-N 3.32Å; N141-R143 PolarHBondContact O-N 2.66Å; N141-K144 PolarHBondContact O-N 3.47Å; N141-I145 VanDerWaalsContact O-CG1 3.32Å; N141-I145 WeakPolarHBondContact O-CG1 3.41Å; N141-I145 PolarHBondContact O-N 3.4Å
142	A	97.8	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-44.2	175.2	0	0	0	0	0	112	W56 A114 D138 R139 I145 H146 F153	W56-A142 HydrophobicContact CE3-CB 4.39Å; W56-A142 HydrophobicContact CH2-CB 4.11Å; W56-A142 HydrophobicContact CZ2-CB 4.41Å; W56-A142 HydrophobicContact CZ3-CB 4.1Å; A114-A142 HydrophobicContact CB-CB 3.52Å; D138-A142 PolarHBondContact O-N 2.83Å; R139-A142 WeakPolarHBondContact O-CB 3.38Å; R139-A142 PolarHBondContact O-N 2.91Å; A142-I145 PolarHBondContact O-N 2.83Å; A142-H146 PolarHBondContact O-N 3.4Å; A142-H146 PolarHBondContact O-ND1 3.17Å; A142-F153 HydrophobicContact CB-CE2 4.08Å; A142-F153 HydrophobicContact CB-CZ 4.08Å
143	R	98.1	Very high	96.2	Very high	27 Å²	27	44 Å²	44	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-52.1	173.6	179.2	-178	-65.8	-82.7	4.5	112	R139 L140 N141 I145 H146 E147 F153 E155 E199	R139-R143 PolarHBondContact O-N 2.8Å; L140-R143 PolarHBondContact O-N 2.85Å; N141-R143 VanDerWaalsContact C-N 3.32Å; N141-R143 PolarHBondContact O-N 2.66Å; R143-I145 VanDerWaalsContact C-N 3.27Å; R143-I145 PolarHBondContact O-N 3.04Å; R143-H146 PolarHBondContact O-N 3.29Å; R143-E147 WeakPolarHBondContact CD-OE1 3.3Å; R143-E147 HydrophobicContact CG-CG 4.2Å; R143-E147 WeakPolarHBondContact CG-OE1 3.41Å; R143-E147 PolarHBondContact O-N 2.9Å; R143-F153 HydrophobicContact CB-CD1 3.75Å; R143-F153 HydrophobicContact CB-CE1 3.8Å; R143-F153 HydrophobicContact CB-CG 4.32Å; R143-F153 HydrophobicContact CB-CZ 4.41Å; R143-F153 HydrophobicContact CG-CD1 3.93Å; R143-F153 HydrophobicContact CG-CE1 4.41Å; R143-F153 HydrophobicContact CG-CG 4.48Å; R143-E155 IonicContact CZ-OE2 2.72Å; R143-E155 IonicContact NE-OE2 3.79Å; R143-E155 IonicContact NH2-OE2 3.14Å; R143-E155 PolarHBondContact NH2-OE2 2.84Å; R143-E199 IonicContact CZ-OE1 2.73Å; R143-E199 IonicContact CZ-OE2 2.73Å; R143-E199 IonicContact NH1-OE1 3.06Å; R143-E199 PolarHBondContact NH1-OE1 3.3Å; R143-E199 IonicContact NH1-OE2 3.01Å; R143-E199 PolarHBondContact NH1-OE2 2.83Å; R143-E199 IonicContact NH2-OE1 3.89Å; R143-E199 PolarHBondContact NH2-OE1 2.76Å; R143-E199 IonicContact NH2-OE2 3.99Å; R143-E199 PolarHBondContact NH2-OE2 3.04Å
144	K	97.9	Very high	96.5	Very high	134 Å²	134	44.1 Å²	44.1	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-56.6	-38.8	178.8	-75.1	172.3	-177.1	177.8	0	112.8	L140 N141 H146 A148	L140-K144 WeakPolarHBondContact O-CB 3.24Å; L140-K144 VanDerWaalsContact O-CG 3.27Å; L140-K144 WeakPolarHBondContact O-CG 3.31Å; L140-K144 PolarHBondContact O-N 3.42Å; N141-K144 PolarHBondContact O-N 3.47Å; K144-H146 VanDerWaalsContact C-N 3.28Å; K144-H146 PolarHBondContact O-N 2.99Å; K144-A148 WeakPolarHBondContact O-CB 3.5Å; K144-A148 PolarHBondContact O-N 3.17Å
145	I	97.6	Very high	96.8	Very high	23 Å²	23	44 Å²	44	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-38.1	176.8	-72.6	166	0	0	0	111.5	A114 E115 R118 N141 A142 R143	A114-I145 HydrophobicContact CB-CD1 4.01Å; E115-I145 HydrophobicContact CG-CD1 4.48Å; R118-I145 HydrophobicContact CB-CG2 4.02Å; R118-I145 HydrophobicContact CG-CG2 4.17Å; N141-I145 VanDerWaalsContact O-CG1 3.32Å; N141-I145 WeakPolarHBondContact O-CG1 3.41Å; N141-I145 PolarHBondContact O-N 3.4Å; A142-I145 PolarHBondContact O-N 2.83Å; R143-I145 VanDerWaalsContact C-N 3.27Å; R143-I145 PolarHBondContact O-N 3.04Å
146	H	98.3	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-79	-46.6	179.7	-70.2	73.9	0	0	0	111.8	T54 A114 R118 A142 R143 K144 A148 A149 G150 L151 F153	T54-H146 WeakPolarHBondContact CB-NE2 3.46Å; T54-H146 PolarHBondContact OG1-CD2 3.31Å; T54-H146 VanDerWaalsContact OG1-CD2 3.28Å; T54-H146 PolarHBondContact OG1-NE2 3.09Å; A114-H146 PolarHBondContact O-CE1 3.22Å; R118-H146 WeakPolarHBondContact CA-NE2 3.45Å; R118-H146 PolarHBondContact N-NE2 3.43Å; A142-H146 PolarHBondContact O-N 3.4Å; A142-H146 PolarHBondContact O-ND1 3.17Å; R143-H146 PolarHBondContact O-N 3.29Å; K144-H146 VanDerWaalsContact C-N 3.28Å; K144-H146 PolarHBondContact O-N 2.99Å; H146-A148 PolarHBondContact O-N 3.26Å; H146-A149 CarbonylContact O-C 3.36Å; H146-A149 WeakPolarHBondContact O-CA 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.29Å; H146-A149 PolarHBondContact O-N 2.8Å; H146-G150 PolarHBondContact O-N 2.99Å; H146-G150 VanDerWaalsContact O-N 3.14Å; H146-L151 CarbonylContact C-O 3.37Å; H146-L151 HydrophobicContact CB-CB 4.36Å; H146-L151 PolarHBondContact O-N 3.02Å; H146-F153 HydrophobicContact CB-CB 3.89Å; H146-F153 HydrophobicContact CB-CD2 4.18Å; H146-F153 HydrophobicContact CB-CG 4.42Å; H146-F153 AromaticContact CE1-CD2 3.91Å; H146-F153 AromaticContact CG-CD2 3.7Å; H146-F153 AromaticContact ND1-CD2 3.57Å
147	E	95.8	Very high	97.2	Very high	108 Å²	108	41 Å²	41	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-60.6	-42.8	179.1	-71.2	174.4	173.5	0	0	111.9	R143 A149 G150	R143-E147 WeakPolarHBondContact CD-OE1 3.3Å; R143-E147 HydrophobicContact CG-CG 4.2Å; R143-E147 WeakPolarHBondContact CG-OE1 3.41Å; R143-E147 PolarHBondContact O-N 2.9Å; E147-A149 PolarHBondContact O-N 3.28Å; E147-G150 PolarHBondContact O-N 2.79Å
148	A	95.5	Very high	97.3	Very high	95 Å²	95	34.6 Å²	34.6	79%	0.785	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.8	175.7	0	0	0	0	0	112.9	K144 H146	K144-A148 WeakPolarHBondContact O-CB 3.5Å; K144-A148 PolarHBondContact O-N 3.17Å; H146-A148 PolarHBondContact O-N 3.26Å
149	A	93.7	Very high	97.4	Very high	30 Å²	30	35 Å²	35	25%	0.248	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.7	174.6	0	0	0	0	0	113	R37 R118 H146 E147 L151	R37-A149 VanDerWaalsContact CZ-O 3.23Å; R37-A149 PolarHBondContact NH1-O 2.96Å; R37-A149 PolarHBondContact NH2-O 3.35Å; R118-A149 HydrophobicContact CG-CB 4.26Å; H146-A149 CarbonylContact O-C 3.36Å; H146-A149 WeakPolarHBondContact O-CA 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.29Å; H146-A149 PolarHBondContact O-N 2.8Å; E147-A149 PolarHBondContact O-N 3.28Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 HydrophobicContact CB-CD1 4.06Å; A149-L151 HydrophobicContact CB-CG 4.38Å; A149-L151 PolarHBondContact O-N 3.44Å
150	G	96.1	Very high	97.4	Very high	55 Å²	55	35 Å²	35	57%	0.567	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	39.5	-175.4	0	0	0	0	0	112.8	R37 H146 E147	R37-G150 PolarHBondContact NH1-O 3.07Å; R37-G150 VanDerWaalsContact NH1-O 3.08Å; H146-G150 PolarHBondContact O-N 2.99Å; H146-G150 VanDerWaalsContact O-N 3.14Å; E147-G150 PolarHBondContact O-N 2.79Å
151	L	97.6	Very high	97.3	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	20%	0.201	C	C	.	.			trans	-113.5	134.4	176.9	-70.3	165.7	0	0	0	109.8	F50 R118 A121 D122 H146 A149	F50-L151 HydrophobicContact CE1-CD2 3.96Å; F50-L151 HydrophobicContact CZ-CD2 3.79Å; R118-L151 HydrophobicContact CG-CD1 3.69Å; A121-L151 HydrophobicContact CB-CD1 4.03Å; A121-L151 HydrophobicContact CB-CD2 4.29Å; D122-L151 HydrophobicContact CB-CD1 4Å; H146-L151 CarbonylContact C-O 3.37Å; H146-L151 HydrophobicContact CB-CB 4.36Å; H146-L151 PolarHBondContact O-N 3.02Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 HydrophobicContact CB-CD1 4.06Å; A149-L151 HydrophobicContact CB-CG 4.38Å; A149-L151 PolarHBondContact O-N 3.44Å
152	P	98.3	Very high	97.2	Very high	50 Å²	50	32.5 Å²	32.5	33%	0.325	20%	0.196	S	C	.	.			trans	-62.4	139.1	175.5	-21.4	33.1	0	0	0	112.2	C53 T54 F154 I225	C53-P152 WeakPolarHBondContact CA-O 3.36Å; C53-P152 HydrophobicContact CB-CB 3.87Å; C53-P152 HydrophobicContact CB-CG 4.29Å; T54-P152 PolarHBondContact N-O 3.22Å; T54-P152 VanDerWaalsContact N-O 3.07Å; P152-F154 HydrophobicContact CB-CE1 4.41Å; P152-F154 HydrophobicContact CB-CE2 3.88Å; P152-F154 HydrophobicContact CB-CZ 3.66Å; P152-I225 HydrophobicContact CG-CD1 4.22Å
153	F	98.6	Very high	97.1	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.044	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.9	177.1	-176.8	-89.6	0	0	0	108.8	T54 W56 A142 R143 H146 E155	T54-F153 HydrophobicContact CG2-CD2 4.1Å; T54-F153 HydrophobicContact CG2-CE2 4.09Å; W56-F153 HydrophobicContact CB-CE1 4.08Å; W56-F153 HydrophobicContact CB-CE2 3.78Å; W56-F153 HydrophobicContact CB-CZ 3.43Å; W56-F153 VanDerWaalsContact CB-CZ 3.43Å; W56-F153 HydrophobicContact CD2-CE2 4.02Å; W56-F153 AromaticContact CD2-CZ 3.83Å; W56-F153 HydrophobicContact CD2-CZ 3.83Å; W56-F153 AromaticContact CE3-CE2 3.74Å; W56-F153 HydrophobicContact CE3-CE2 3.74Å; W56-F153 HydrophobicContact CE3-CZ 4.05Å; W56-F153 HydrophobicContact CG-CE1 4.48Å; W56-F153 HydrophobicContact CG-CE2 4.07Å; W56-F153 AromaticContact CG-CZ 3.57Å; W56-F153 HydrophobicContact CG-CZ 3.57Å; A142-F153 HydrophobicContact CB-CE2 4.08Å; A142-F153 HydrophobicContact CB-CZ 4.08Å; R143-F153 HydrophobicContact CB-CD1 3.75Å; R143-F153 HydrophobicContact CB-CE1 3.8Å; R143-F153 HydrophobicContact CB-CG 4.32Å; R143-F153 HydrophobicContact CB-CZ 4.41Å; R143-F153 HydrophobicContact CG-CD1 3.93Å; R143-F153 HydrophobicContact CG-CE1 4.41Å; R143-F153 HydrophobicContact CG-CG 4.48Å; H146-F153 HydrophobicContact CB-CB 3.89Å; H146-F153 HydrophobicContact CB-CD2 4.18Å; H146-F153 HydrophobicContact CB-CG 4.42Å; H146-F153 AromaticContact CE1-CD2 3.91Å; H146-F153 AromaticContact CG-CD2 3.7Å; H146-F153 AromaticContact ND1-CD2 3.57Å; F153-E155 HydrophobicContact CE1-CB 4.03Å
154	F	98.6	Very high	96.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	104.9	-178.6	-51.3	-70.2	0	0	0	109	C53 T54 V55 W56 P152 V156 E199 L219 L220 R223 I225	C53-F154 HydrophobicContact CB-CD2 4.43Å; C53-F154 HydrophobicContact CB-CE2 3.81Å; T54-F154 PolarHBondContact O-N 3.34Å; V55-F154 HydrophobicContact CG2-CD2 4.21Å; W56-F154 PolarHBondContact N-O 2.97Å; P152-F154 HydrophobicContact CB-CE1 4.41Å; P152-F154 HydrophobicContact CB-CE2 3.88Å; P152-F154 HydrophobicContact CB-CZ 3.66Å; F154-V156 PolarHBondContact O-N 3.29Å; F154-E199 HydrophobicContact CD1-CG 4.2Å; F154-L219 HydrophobicContact CB-CD2 4.3Å; F154-L219 HydrophobicContact CD1-CD2 4.31Å; F154-L219 HydrophobicContact CG-CD2 4.46Å; F154-L220 HydrophobicContact CD2-CD2 3.81Å; F154-L220 HydrophobicContact CE2-CD2 3.7Å; F154-L220 HydrophobicContact CZ-CD2 4.35Å; F154-R223 HydrophobicContact CE1-CB 3.87Å; F154-R223 HydrophobicContact CE1-CG 3.7Å; F154-R223 HydrophobicContact CZ-CB 3.82Å; F154-R223 HydrophobicContact CZ-CG 4.19Å; F154-I225 HydrophobicContact CE2-CD1 4.39Å; F154-I225 HydrophobicContact CE2-CG1 3.84Å; F154-I225 HydrophobicContact CZ-CD1 4.39Å; F154-I225 HydrophobicContact CZ-CG1 3.84Å
155	E	98.7	Very high	96.8	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	112.8	172.8	-172.4	173.7	-164.4	0	0	109.5	T58 R139 R143 F153 P198 E199 L200	T58-E155 HydrophobicContact CG2-CG 4.28Å; R139-E155 WeakPolarHBondContact CD-OE1 3.41Å; R139-E155 IonicContact CZ-OE1 3.98Å; R139-E155 IonicContact NE-OE1 3.48Å; R139-E155 PolarHBondContact NE-OE1 3.22Å; R143-E155 IonicContact CZ-OE2 2.72Å; R143-E155 IonicContact NE-OE2 3.79Å; R143-E155 IonicContact NH2-OE2 3.14Å; R143-E155 PolarHBondContact NH2-OE2 2.84Å; F153-E155 HydrophobicContact CE1-CB 4.03Å; E155-P198 HydrophobicContact CG-CB 4.48Å; E155-P198 CarbonylContact O-C 3.42Å; E155-P198 WeakPolarHBondContact O-CB 3.31Å; E155-E199 WeakPolarHBondContact CB-OE2 3.44Å; E155-E199 PolarHBondContact N-OE2 3.4Å; E155-E199 PolarHBondContact O-N 2.66Å; E155-L200 PolarHBondContact O-N 2.63Å
156	V	98.6	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.4	-178.5	-179.2	0	0	0	0	108.1	V55 W56 L57 T58 F154 V158 L200 L202 L216	V55-V156 HydrophobicContact CG1-CG2 3.8Å; W56-V156 PolarHBondContact O-N 2.78Å; L57-V156 WeakPolarHBondContact CA-O 3.46Å; L57-V156 HydrophobicContact CD2-CB 3.66Å; L57-V156 HydrophobicContact CD2-CG1 3.82Å; L57-V156 HydrophobicContact CD2-CG2 4.16Å; T58-V156 PolarHBondContact N-O 2.86Å; F154-V156 PolarHBondContact O-N 3.29Å; V156-V158 PolarHBondContact O-N 3.23Å; V156-L200 WeakPolarHBondContact CA-O 3.35Å; V156-L200 HydrophobicContact CG1-CB 4.45Å; V156-L200 HydrophobicContact CG1-CD2 4.49Å; V156-L200 HydrophobicContact CG2-CB 4.49Å; V156-L202 HydrophobicContact CG1-CD1 3.65Å; V156-L202 HydrophobicContact CG1-CG 3.9Å; V156-L216 HydrophobicContact CB-CD2 4.43Å; V156-L216 HydrophobicContact CG1-CD2 4Å; V156-L216 HydrophobicContact CG2-CD2 3.64Å
157	F	98.5	Very high	96.5	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.6	177.1	-177.8	-151.8	0	0	0	110.2	T58 D159 Y192 K194 P195 P198 L200 V201 L202	T58-F157 HydrophobicContact CG2-CD2 4.44Å; F157-D159 HydrophobicContact CD1-CB 3.89Å; F157-D159 HydrophobicContact CD2-CB 4.34Å; F157-D159 HydrophobicContact CE1-CB 3.56Å; F157-D159 HydrophobicContact CE2-CB 4.02Å; F157-D159 HydrophobicContact CG-CB 4.26Å; F157-D159 HydrophobicContact CZ-CB 3.61Å; F157-D159 VanDerWaalsContact CZ-OD1 3.29Å; F157-D159 WeakPolarHBondContact CZ-OD1 3.45Å; F157-D159 PolarHBondContact O-N 2.94Å; F157-Y192 HydrophobicContact CD2-CE1 4.28Å; F157-Y192 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y192 AromaticContact CE2-CE1 3.47Å; F157-Y192 HydrophobicContact CE2-CE1 3.47Å; F157-Y192 VanDerWaalsContact CE2-CE1 3.47Å; F157-Y192 AromaticContact CE2-CZ 3.81Å; F157-Y192 WeakPolarHBondContact CE2-OH 3.09Å; F157-Y192 AromaticContact CZ-CE1 3.94Å; F157-Y192 HydrophobicContact CZ-CE1 3.94Å; F157-K194 HydrophobicContact CE1-CB 4.27Å; F157-K194 HydrophobicContact CE1-CD 4.16Å; F157-K194 HydrophobicContact CE1-CG 4.21Å; F157-K194 HydrophobicContact CZ-CB 4.36Å; F157-K194 HydrophobicContact CZ-CD 4.16Å; F157-K194 HydrophobicContact CZ-CG 3.96Å; F157-P195 HydrophobicContact CB-CG 3.99Å; F157-P195 HydrophobicContact CD2-CG 4.25Å; F157-P195 HydrophobicContact CG-CG 4.01Å; F157-P198 HydrophobicContact CB-CB 4.11Å; F157-P198 HydrophobicContact CB-CG 4.21Å; F157-L200 PolarHBondContact N-O 3.28Å; F157-V201 HydrophobicContact CB-CG2 4.33Å; F157-V201 HydrophobicContact CD1-CG1 3.99Å; F157-V201 HydrophobicContact CD1-CG2 4.35Å; F157-V201 CarbonylContact O-C 3.5Å; F157-V201 WeakPolarHBondContact O-CA 3.44Å; F157-L202 PolarHBondContact O-N 2.97Å
158	V	98.1	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	91	172.7	-171	0	0	0	0	108.1	L57 T58 A63 K65 V156 T204	L57-V158 HydrophobicContact CB-CG2 4.24Å; L57-V158 HydrophobicContact CD2-CG2 4.46Å; T58-V158 PolarHBondContact O-N 2.57Å; A63-V158 HydrophobicContact CB-CG1 4.14Å; A63-V158 WeakPolarHBondContact CB-O 3.42Å; A63-V158 VanDerWaalsContact O-CG1 3.29Å; A63-V158 WeakPolarHBondContact O-CG1 3.48Å; K65-V158 HydrophobicContact CG-CB 3.91Å; K65-V158 HydrophobicContact CG-CG1 4.34Å; K65-V158 HydrophobicContact CG-CG2 3.81Å; V156-V158 PolarHBondContact O-N 3.23Å; V158-T204 HydrophobicContact CG1-CG2 3.55Å
159	D	97.8	Very high	96.2	Very high	17 Å²	17	37 Å²	37	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.3	-171.5	-166.7	14	0	0	0	110.4	F157 V201 L202 K203 T204	F157-D159 HydrophobicContact CD1-CB 3.89Å; F157-D159 HydrophobicContact CD2-CB 4.34Å; F157-D159 HydrophobicContact CE1-CB 3.56Å; F157-D159 HydrophobicContact CE2-CB 4.02Å; F157-D159 HydrophobicContact CG-CB 4.26Å; F157-D159 HydrophobicContact CZ-CB 3.61Å; F157-D159 VanDerWaalsContact CZ-OD1 3.29Å; F157-D159 WeakPolarHBondContact CZ-OD1 3.45Å; F157-D159 PolarHBondContact O-N 2.94Å; D159-V201 HydrophobicContact CB-CG1 3.94Å; D159-L202 PolarHBondContact N-O 2.73Å; D159-L202 VanDerWaalsContact O-O 3.06Å; D159-K203 HydrophobicContact CB-CD 4.24Å; D159-K203 IonicContact OD2-NZ 2.74Å; D159-K203 PolarHBondContact OD2-NZ 2.95Å; D159-T204 PolarHBondContact O-N 2.95Å; D159-T204 VanDerWaalsContact O-N 3.08Å
160	A	96.3	Very high	96	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	23%	0.228	C	C	.	.			trans	-142.1	137.8	169.5	0	0	0	0	0	107.3	A63 T204	A63-A160 HydrophobicContact CB-CB 4.01Å; A160-T204 WeakPolarHBondContact CB-OG1 3.44Å
161	P	95.8	Very high	95.5	Very high	48 Å²	48	44.1 Å²	44.1	31%	0.312	23%	0.225	S	C	.	.			trans	-53.1	147.4	173.2	-27.9	37.2	0	0	0	112.2	D163 V164 C165 D205	P161-D163 VanDerWaalsContact C-N 3.32Å; P161-D163 WeakPolarHBondContact CB-OD1 3.41Å; P161-D163 PolarHBondContact O-N 2.69Å; P161-V164 HydrophobicContact CB-CB 4.4Å; P161-V164 HydrophobicContact CB-CG2 4.08Å; P161-V164 HydrophobicContact CG-CG2 4.29Å; P161-V164 PolarHBondContact O-N 3.12Å; P161-C165 PolarHBondContact O-N 2.84Å; P161-C165 PolarHBondContact O-SG 2.9Å; P161-D205 WeakPolarHBondContact CD-OD2 3.42Å
162	L	93.9	Very high	95.2	Very high	52 Å²	52	45.1 Å²	45.1	27%	0.272	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-41.6	-176.9	173.6	65.8	0	0	0	111.9	L60 V164 C165 E166 Y174 G187	L60-L162 HydrophobicContact CD1-CB 4.04Å; L60-L162 HydrophobicContact CD1-CD1 4.05Å; L162-V164 VanDerWaalsContact C-N 3.33Å; L162-V164 PolarHBondContact O-N 3.26Å; L162-C165 CarbonylContact O-C 3.52Å; L162-C165 WeakPolarHBondContact O-CB 3.48Å; L162-C165 PolarHBondContact O-N 3.17Å; L162-C165 VanDerWaalsContact O-N 3.14Å; L162-E166 HydrophobicContact CD1-CG 4.33Å; L162-E166 HydrophobicContact CG-CG 4.49Å; L162-E166 WeakPolarHBondContact O-CB 3.27Å; L162-E166 PolarHBondContact O-N 3.38Å; L162-Y174 HydrophobicContact CD1-CE1 3.7Å; L162-G187 WeakPolarHBondContact CD2-O 3.24Å
163	D	95	Very high	94.8	Very high	109 Å²	109	45 Å²	45	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-60.5	-40.7	176.6	59.3	-43.5	0	0	0	111.9	P161 E166 Q167	P161-D163 VanDerWaalsContact C-N 3.32Å; P161-D163 WeakPolarHBondContact CB-OD1 3.41Å; P161-D163 PolarHBondContact O-N 2.69Å; D163-E166 PolarHBondContact O-N 3.19Å; D163-Q167 VanDerWaalsContact O-CB 3.31Å; D163-Q167 WeakPolarHBondContact O-CB 3.44Å; D163-Q167 PolarHBondContact O-N 2.86Å
164	V	95.2	Very high	94.5	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.17	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-41.5	173	176	0	0	0	0	111	P161 L162 Q167 R168 D205	P161-V164 HydrophobicContact CB-CB 4.4Å; P161-V164 HydrophobicContact CB-CG2 4.08Å; P161-V164 HydrophobicContact CG-CG2 4.29Å; P161-V164 PolarHBondContact O-N 3.12Å; L162-V164 VanDerWaalsContact C-N 3.33Å; L162-V164 PolarHBondContact O-N 3.26Å; V164-Q167 PolarHBondContact O-N 3.4Å; V164-R168 VanDerWaalsContact O-CG 3.27Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.9Å; V164-D205 HydrophobicContact CG1-CB 4.45Å
165	C	95.4	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-42.6	175.8	-66.3	0	0	0	0	112.4	S61 P161 L162 R168 D169 Y174	S61-C165 WeakPolarHBondContact O-CB 3.45Å; P161-C165 PolarHBondContact O-N 2.84Å; P161-C165 PolarHBondContact O-SG 2.9Å; L162-C165 CarbonylContact O-C 3.52Å; L162-C165 WeakPolarHBondContact O-CB 3.48Å; L162-C165 PolarHBondContact O-N 3.17Å; L162-C165 VanDerWaalsContact O-N 3.14Å; C165-R168 PolarHBondContact O-N 2.81Å; C165-D169 PolarHBondContact O-N 3.47Å; C165-D169 VanDerWaalsContact O-N 3.1Å; C165-Y174 HydrophobicContact CB-CE2 4Å; C165-Y174 WeakPolarHBondContact CB-OH 3.14Å
166	E	94.3	Very high	93.8	Very high	50 Å²	50	56.4 Å²	56.4	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-39.5	174.2	-79.9	-170.3	-121.8	0	0	111.6	L162 D163 R168 D169 Y174 R178 I188	L162-E166 HydrophobicContact CD1-CG 4.33Å; L162-E166 HydrophobicContact CG-CG 4.49Å; L162-E166 WeakPolarHBondContact O-CB 3.27Å; L162-E166 PolarHBondContact O-N 3.38Å; D163-E166 PolarHBondContact O-N 3.19Å; E166-R168 VanDerWaalsContact C-N 3.32Å; E166-R168 PolarHBondContact O-N 3.48Å; E166-D169 WeakPolarHBondContact O-CB 3.38Å; E166-D169 PolarHBondContact O-N 2.93Å; E166-Y174 HydrophobicContact CB-CD1 4.42Å; E166-Y174 HydrophobicContact CB-CG 4.37Å; E166-Y174 HydrophobicContact CG-CD1 3.3Å; E166-Y174 HydrophobicContact CG-CD2 4.38Å; E166-Y174 HydrophobicContact CG-CE1 3.69Å; E166-Y174 HydrophobicContact CG-CG 3.67Å; E166-R178 IonicContact OE1-CZ 2.9Å; E166-R178 IonicContact OE1-NE 3.51Å; E166-R178 IonicContact OE1-NH2 3.54Å; E166-R178 PolarHBondContact OE1-NH2 2.88Å; E166-R178 IonicContact OE2-CZ 2.73Å; E166-R178 IonicContact OE2-NE 3.51Å; E166-R178 PolarHBondContact OE2-NE 2.81Å; E166-R178 IonicContact OE2-NH2 3.45Å; E166-R178 PolarHBondContact OE2-NH2 3.47Å; E166-I188 WeakPolarHBondContact OE1-CD1 3.45Å
167	Q	94.8	Very high	93.4	Very high	167 Å²	167	56.6 Å²	56.6	78%	0.78	28%	0.284	S	S	*	.	H	α-helix	trans	-63.5	-39	175.6	-174.2	-175.9	13.2	0	0	111.8	D163 V164	D163-Q167 VanDerWaalsContact O-CB 3.31Å; D163-Q167 WeakPolarHBondContact O-CB 3.44Å; D163-Q167 PolarHBondContact O-N 2.86Å; V164-Q167 PolarHBondContact O-N 3.4Å
168	R	94.1	Very high	93	Very high	93 Å²	93	63.2 Å²	63.2	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-38.4	178.6	-71.2	168.3	-178.1	179.7	0.6	112.4	G62 A63 V164 C165 E166 V170 T204	G62-R168 WeakPolarHBondContact O-CD 3.41Å; G62-R168 PolarHBondContact O-NH1 3.35Å; A63-R168 PolarHBondContact O-NH1 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.27Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.9Å; C165-R168 PolarHBondContact O-N 2.81Å; E166-R168 VanDerWaalsContact C-N 3.32Å; E166-R168 PolarHBondContact O-N 3.48Å; R168-V170 HydrophobicContact CB-CG2 4.12Å; R168-V170 PolarHBondContact O-N 2.95Å; R168-T204 PolarHBondContact NH1-OG1 3.17Å; R168-T204 PolarHBondContact NH2-O 2.86Å
169	D	91.8	Very high	92.6	Very high	35 Å²	35	66.3 Å²	66.3	19%	0.187	34%	0.335	C	S	.	.			trans	23.1	51.8	-175.1	-158.6	12	0	0	0	116	C165 E166 K171 G172 L173 Y174 K175	C165-D169 PolarHBondContact O-N 3.47Å; C165-D169 VanDerWaalsContact O-N 3.1Å; E166-D169 WeakPolarHBondContact O-CB 3.38Å; E166-D169 PolarHBondContact O-N 2.93Å; D169-K171 PolarHBondContact O-N 3.41Å; D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 PolarHBondContact O-N 3.16Å; D169-G172 VanDerWaalsContact OD1-CA 3.27Å; D169-G172 WeakPolarHBondContact OD1-CA 3.25Å; D169-G172 PolarHBondContact OD1-N 3.23Å; D169-G172 VanDerWaalsContact OD2-CA 3.31Å; D169-G172 WeakPolarHBondContact OD2-CA 3.26Å; D169-L173 PolarHBondContact OD1-N 3.36Å; D169-Y174 PolarHBondContact OD1-N 3.1Å; D169-K175 WeakPolarHBondContact OD2-CB 3.42Å; D169-K175 PolarHBondContact OD2-N 3.17Å
170	V	88.8	Confident	92.1	Very high	116 Å²	116	67.7 Å²	67.7	70%	0.703	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.7	-165.7	-178	0	0	0	0	113.4	R168	R168-V170 HydrophobicContact CB-CG2 4.12Å; R168-V170 PolarHBondContact O-N 2.95Å
171	K	86.4	Confident	91.7	Very high	117 Å²	117	74.2 Å²	74.2	51%	0.509	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	7.2	-179.3	-66.5	-170.9	176.9	-168.7	0	112.9	D89 D169 L173	D89-K171 IonicContact OD1-NZ 2.7Å; D89-K171 PolarHBondContact OD1-NZ 2.87Å; D89-K171 IonicContact OD2-NZ 2.76Å; D89-K171 PolarHBondContact OD2-NZ 3.36Å; D169-K171 PolarHBondContact O-N 3.41Å; K171-L173 HydrophobicContact CB-CD1 3.9Å; K171-L173 HydrophobicContact CB-CG 3.76Å; K171-L173 HydrophobicContact CD-CD1 4.44Å; K171-L173 PolarHBondContact O-N 2.99Å
172	G	90.5	Very high	91.1	Very high	27 Å²	27	74.3 Å²	74.3	28%	0.278	38%	0.38	S	S	.	.	S	Bend	trans	64.7	22.3	-176.2	0	0	0	0	0	114	D169 K176	D169-G172 VanDerWaalsContact CG-CA 3.43Å; D169-G172 PolarHBondContact O-N 3.16Å; D169-G172 VanDerWaalsContact OD1-CA 3.27Å; D169-G172 WeakPolarHBondContact OD1-CA 3.25Å; D169-G172 PolarHBondContact OD1-N 3.23Å; D169-G172 VanDerWaalsContact OD2-CA 3.31Å; D169-G172 WeakPolarHBondContact OD2-CA 3.26Å; G172-K176 VanDerWaalsContact O-CG 3.31Å; G172-K176 WeakPolarHBondContact O-CG 3.43Å
173	L	90.5	Very high	90.5	Very high	47 Å²	47	82.3 Å²	82.3	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-83.3	-34.9	-173.2	-63.3	176.9	0	0	0	111.7	D169 K171 K176 A177 I182 F185	D169-L173 PolarHBondContact OD1-N 3.36Å; K171-L173 HydrophobicContact CB-CD1 3.9Å; K171-L173 HydrophobicContact CB-CG 3.76Å; K171-L173 HydrophobicContact CD-CD1 4.44Å; K171-L173 PolarHBondContact O-N 2.99Å; L173-K176 PolarHBondContact O-N 2.85Å; L173-A177 WeakPolarHBondContact O-CB 3.31Å; L173-A177 PolarHBondContact O-N 3.48Å; L173-I182 HydrophobicContact CD2-CD1 3.86Å; L173-F185 HydrophobicContact CB-CE2 3.87Å; L173-F185 HydrophobicContact CB-CZ 3.75Å; L173-F185 HydrophobicContact CD1-CE2 4.14Å; L173-F185 HydrophobicContact CD1-CZ 4.32Å
174	Y	91.7	Very high	89.7	Confident	4 Å²	4	78 Å²	78	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-68.1	-43.2	178.7	-77.4	-76.8	0	0	0	111.1	S61 L162 C165 E166 D169 K176 A177 R178 F185 I188	S61-Y174 WeakPolarHBondContact O-CE2 3.4Å; S61-Y174 PolarHBondContact O-OH 3.26Å; L162-Y174 HydrophobicContact CD1-CE1 3.7Å; C165-Y174 HydrophobicContact CB-CE2 4Å; C165-Y174 WeakPolarHBondContact CB-OH 3.14Å; E166-Y174 HydrophobicContact CB-CD1 4.42Å; E166-Y174 HydrophobicContact CB-CG 4.37Å; E166-Y174 HydrophobicContact CG-CD1 3.3Å; E166-Y174 HydrophobicContact CG-CD2 4.38Å; E166-Y174 HydrophobicContact CG-CE1 3.69Å; E166-Y174 HydrophobicContact CG-CG 3.67Å; D169-Y174 PolarHBondContact OD1-N 3.1Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 3.24Å; Y174-A177 PolarHBondContact O-N 3.42Å; Y174-R178 WeakPolarHBondContact O-CB 3.23Å; Y174-R178 WeakPolarHBondContact O-CG 3.43Å; Y174-R178 PolarHBondContact O-N 3.1Å; Y174-F185 HydrophobicContact CD1-CD1 4.23Å; Y174-F185 AromaticContact CD1-CE1 3.69Å; Y174-F185 HydrophobicContact CD1-CE1 3.69Å; Y174-F185 HydrophobicContact CD2-CE1 4.41Å; Y174-F185 HydrophobicContact CE1-CD1 4.18Å; Y174-F185 AromaticContact CE1-CE1 3.54Å; Y174-F185 HydrophobicContact CE1-CE1 3.54Å; Y174-F185 HydrophobicContact CE2-CE1 4.25Å; Y174-F185 HydrophobicContact CG-CE1 4.16Å; Y174-F185 AromaticContact CZ-CE1 3.83Å; Y174-I188 HydrophobicContact CD1-CD1 4.03Å; Y174-I188 HydrophobicContact CD1-CG1 4.09Å; Y174-I188 HydrophobicContact CE1-CD1 4.27Å; Y174-I188 HydrophobicContact CE1-CG1 4.28Å
175	K	91.6	Very high	89.3	Confident	164 Å²	164	77.7 Å²	77.7	71%	0.713	38%	0.384	S	S	*	.	H	α-helix	trans	-56.5	-43.9	173.2	-174.5	177.7	-179.8	179.8	0	112.4	D169 A179	D169-K175 WeakPolarHBondContact OD2-CB 3.42Å; D169-K175 PolarHBondContact OD2-N 3.17Å; K175-A179 WeakPolarHBondContact O-CB 3.46Å; K175-A179 PolarHBondContact O-N 3.48Å; K175-A179 VanDerWaalsContact O-N 3.07Å
176	K	90	Very high	88.8	Confident	97 Å²	97	78.1 Å²	78.1	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	-38.8	178.1	-71.9	178	178.2	179.3	0	112.8	G172 L173 Y174 A179 G180 E181 I182	G172-K176 VanDerWaalsContact O-CG 3.31Å; G172-K176 WeakPolarHBondContact O-CG 3.43Å; L173-K176 PolarHBondContact O-N 2.85Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 3.24Å; K176-A179 PolarHBondContact O-N 2.92Å; K176-G180 PolarHBondContact O-N 3.45Å; K176-E181 HydrophobicContact CB-CB 4.31Å; K176-E181 WeakPolarHBondContact O-CB 3.36Å; K176-E181 PolarHBondContact O-N 3.38Å; K176-I182 HydrophobicContact CB-CD1 3.68Å; K176-I182 HydrophobicContact CB-CG1 3.99Å; K176-I182 HydrophobicContact CD-CD1 4.2Å
177	A	90.1	Very high	88.2	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.033	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-46.8	174.7	0	0	0	0	0	111.2	L173 Y174 A179 G180 I182 F185 I188	L173-A177 WeakPolarHBondContact O-CB 3.31Å; L173-A177 PolarHBondContact O-N 3.48Å; Y174-A177 PolarHBondContact O-N 3.42Å; A177-A179 PolarHBondContact O-N 2.97Å; A177-G180 PolarHBondContact O-N 3.27Å; A177-I182 HydrophobicContact CB-CB 4.45Å; A177-F185 HydrophobicContact CB-CB 3.8Å; A177-F185 HydrophobicContact CB-CD1 4.03Å; A177-F185 HydrophobicContact CB-CG 3.94Å; A177-I188 HydrophobicContact CB-CG1 4.39Å
178	R	90.4	Very high	87.9	Confident	149 Å²	149	70.8 Å²	70.8	56%	0.562	36%	0.36	S	S	*	.	H	α-helix	trans	-61.9	-29.5	175.5	-68.6	-68	-171.5	-168.8	-3.3	113.1	E166 Y174 G180	E166-R178 IonicContact OE1-CZ 2.9Å; E166-R178 IonicContact OE1-NE 3.51Å; E166-R178 IonicContact OE1-NH2 3.54Å; E166-R178 PolarHBondContact OE1-NH2 2.88Å; E166-R178 IonicContact OE2-CZ 2.73Å; E166-R178 IonicContact OE2-NE 3.51Å; E166-R178 PolarHBondContact OE2-NE 2.81Å; E166-R178 IonicContact OE2-NH2 3.45Å; E166-R178 PolarHBondContact OE2-NH2 3.47Å; Y174-R178 WeakPolarHBondContact O-CB 3.23Å; Y174-R178 WeakPolarHBondContact O-CG 3.43Å; Y174-R178 PolarHBondContact O-N 3.1Å; R178-G180 VanDerWaalsContact C-N 3.27Å
179	A	90.6	Very high	87.4	Confident	66 Å²	66	70.8 Å²	70.8	55%	0.545	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.4	173.5	0	0	0	0	0	114.1	K175 K176 A177 E181	K175-A179 WeakPolarHBondContact O-CB 3.46Å; K175-A179 PolarHBondContact O-N 3.48Å; K175-A179 VanDerWaalsContact O-N 3.07Å; K176-A179 PolarHBondContact O-N 2.92Å; A177-A179 PolarHBondContact O-N 2.97Å; A179-E181 VanDerWaalsContact C-N 3.27Å; A179-E181 HydrophobicContact CB-CG 4.21Å; A179-E181 PolarHBondContact O-N 3.26Å
180	G	86.5	Confident	87	Confident	45 Å²	45	70.3 Å²	70.3	46%	0.464	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	7.4	-178.6	0	0	0	0	0	114.8	K176 A177 R178	K176-G180 PolarHBondContact O-N 3.45Å; A177-G180 PolarHBondContact O-N 3.27Å; R178-G180 VanDerWaalsContact C-N 3.27Å
181	E	88.4	Confident	87	Confident	141 Å²	141	72.1 Å²	72.1	66%	0.659	37%	0.367	S	S	*	.	S	Bend	trans	-75	-27.4	178.4	-62.7	176.6	-158.2	0	0	112.1	K176 A179	K176-E181 HydrophobicContact CB-CB 4.31Å; K176-E181 WeakPolarHBondContact O-CB 3.36Å; K176-E181 PolarHBondContact O-N 3.38Å; A179-E181 VanDerWaalsContact C-N 3.27Å; A179-E181 HydrophobicContact CB-CG 4.21Å; A179-E181 PolarHBondContact O-N 3.26Å
182	I	83.9	Confident	87.3	Confident	50 Å²	50	68.1 Å²	68.1	26%	0.256	35%	0.349	S	S	.	.	S	Bend	trans	-119.7	115.4	175.7	-58.5	174.9	0	0	0	108	L173 K176 A177 F185	L173-I182 HydrophobicContact CD2-CD1 3.86Å; K176-I182 HydrophobicContact CB-CD1 3.68Å; K176-I182 HydrophobicContact CB-CG1 3.99Å; K176-I182 HydrophobicContact CD-CD1 4.2Å; A177-I182 HydrophobicContact CB-CB 4.45Å; I182-F185 HydrophobicContact CG2-CB 4.23Å; I182-F185 HydrophobicContact CG2-CD2 4.02Å
183	R	81.2	Confident	87.6	Confident	219 Å²	219	70.5 Å²	70.5	83%	0.826	35%	0.353	S	S	*	.			trans	-95.7	148	176.9	-63.9	-175.6	-178.1	-175.3	-0.4	111.6
184	G	78	Confident	87.8	Confident	18 Å²	18	74.5 Å²	74.5	19%	0.186	37%	0.368	C	S	.	.	S	Bend	trans	71.1	32.3	177.2	0	0	0	0	0	112.5	R106 D189 S190	R106-G184 VanDerWaalsContact CZ-O 3.3Å; R106-G184 PolarHBondContact NH1-O 2.68Å; R106-G184 PolarHBondContact NH2-O 3.03Å; G184-D189 PolarHBondContact N-OD2 3.26Å; G184-S190 VanDerWaalsContact C-OG 3.27Å; G184-S190 VanDerWaalsContact CA-OG 3.28Å; G184-S190 WeakPolarHBondContact CA-OG 3.01Å; G184-S190 PolarHBondContact O-OG 3.03Å
185	F	85.8	Confident	88.1	Confident	22 Å²	22	75 Å²	75	10%	0.096	37%	0.372	C	S	.	.			trans	-78.5	125.4	179.2	-165.9	-103.2	0	0	0	110.2	L173 Y174 A177 I182 G187 I188 D189 S190	L173-F185 HydrophobicContact CB-CE2 3.87Å; L173-F185 HydrophobicContact CB-CZ 3.75Å; L173-F185 HydrophobicContact CD1-CE2 4.14Å; L173-F185 HydrophobicContact CD1-CZ 4.32Å; Y174-F185 HydrophobicContact CD1-CD1 4.23Å; Y174-F185 AromaticContact CD1-CE1 3.69Å; Y174-F185 HydrophobicContact CD1-CE1 3.69Å; Y174-F185 HydrophobicContact CD2-CE1 4.41Å; Y174-F185 HydrophobicContact CE1-CD1 4.18Å; Y174-F185 AromaticContact CE1-CE1 3.54Å; Y174-F185 HydrophobicContact CE1-CE1 3.54Å; Y174-F185 HydrophobicContact CE2-CE1 4.25Å; Y174-F185 HydrophobicContact CG-CE1 4.16Å; Y174-F185 AromaticContact CZ-CE1 3.83Å; A177-F185 HydrophobicContact CB-CB 3.8Å; A177-F185 HydrophobicContact CB-CD1 4.03Å; A177-F185 HydrophobicContact CB-CG 3.94Å; I182-F185 HydrophobicContact CG2-CB 4.23Å; I182-F185 HydrophobicContact CG2-CD2 4.02Å; F185-G187 PolarHBondContact O-N 3.42Å; F185-I188 HydrophobicContact CD1-CG1 3.92Å; F185-I188 PolarHBondContact O-N 3.39Å; F185-D189 PolarHBondContact O-N 3.29Å; F185-S190 PolarHBondContact O-N 2.68Å
186	T	85.2	Confident	88.2	Confident	10 Å²	10	76.6 Å²	76.6	6%	0.061	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-60.7	128	-178.3	-59.7	0	0	0	0	111.4	L60 I132 P134 S190 Y192	L60-T186 HydrophobicContact CD2-CG2 4.25Å; I132-T186 HydrophobicContact CG2-CG2 3.84Å; P134-T186 HydrophobicContact CB-CG2 3.71Å; P134-T186 HydrophobicContact CG-CG2 4.5Å; T186-S190 CarbonylContact C-O 3.13Å; T186-S190 WeakPolarHBondContact CA-O 3.31Å; T186-Y192 HydrophobicContact CG2-CD2 4.01Å; T186-Y192 HydrophobicContact CG2-CG 4.39Å
187	G	82.5	Confident	88.5	Confident	23 Å²	23	75.6 Å²	75.6	24%	0.237	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-10.8	-173.6	0	0	0	0	0	114.4	L162 F185 S190	L162-G187 WeakPolarHBondContact CD2-O 3.24Å; F185-G187 PolarHBondContact O-N 3.42Å; G187-S190 PolarHBondContact N-O 3.16Å
188	I	87.7	Confident	88.9	Confident	39 Å²	39	76.8 Å²	76.8	20%	0.2	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-70.1	178	-53.3	-66.5	0	0	0	110.1	E166 Y174 A177 F185	E166-I188 WeakPolarHBondContact OE1-CD1 3.45Å; Y174-I188 HydrophobicContact CD1-CD1 4.03Å; Y174-I188 HydrophobicContact CD1-CG1 4.09Å; Y174-I188 HydrophobicContact CE1-CD1 4.27Å; Y174-I188 HydrophobicContact CE1-CG1 4.28Å; A177-I188 HydrophobicContact CB-CG1 4.39Å; F185-I188 HydrophobicContact CD1-CG1 3.92Å; F185-I188 PolarHBondContact O-N 3.39Å
189	D	83.4	Confident	89.3	Confident	93 Å²	93	72.1 Å²	72.1	50%	0.497	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-2.4	-178.4	-45.9	-59.5	0	0	0	112.7	G184 F185	G184-D189 PolarHBondContact N-OD2 3.26Å; F185-D189 PolarHBondContact O-N 3.29Å
190	S	83.9	Confident	89.6	Confident	25 Å²	25	70.4 Å²	70.4	18%	0.175	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-138.7	142	177.1	-60	0	0	0	0	109.7	G184 F185 T186 G187	G184-S190 VanDerWaalsContact C-OG 3.27Å; G184-S190 VanDerWaalsContact CA-OG 3.28Å; G184-S190 WeakPolarHBondContact CA-OG 3.01Å; G184-S190 PolarHBondContact O-OG 3.03Å; F185-S190 PolarHBondContact O-N 2.68Å; T186-S190 CarbonylContact C-O 3.13Å; T186-S190 WeakPolarHBondContact CA-O 3.31Å; G187-S190 PolarHBondContact N-O 3.16Å
191	E	88.8	Confident	90.2	Very high	154 Å²	154	70.9 Å²	70.9	72%	0.72	36%	0.359	S	S	*	.			trans	-74.3	154.7	-176.1	-63.6	-171.3	169.6	0	0	112.5
192	Y	93.7	Very high	90.6	Very high	34 Å²	34	64.1 Å²	64.1	13%	0.133	33%	0.327	C	S	.	.			trans	-114.5	115.7	166.2	-179.8	-92	0	0	0	107.8	T58 G59 L60 I132 P134 F157 T186 K194	T58-Y192 WeakPolarHBondContact CG2-OH 3.41Å; T58-Y192 PolarHBondContact OG1-OH 2.82Å; G59-Y192 WeakPolarHBondContact CA-OH 3.4Å; G59-Y192 PolarHBondContact N-OH 2.84Å; G59-Y192 VanDerWaalsContact N-OH 3.12Å; L60-Y192 HydrophobicContact CD2-CD1 4.46Å; L60-Y192 HydrophobicContact CD2-CD2 4.17Å; L60-Y192 HydrophobicContact CD2-CG 3.83Å; L60-Y192 HydrophobicContact CG-CG 4.46Å; I132-Y192 HydrophobicContact CG2-CD2 4.35Å; I132-Y192 WeakPolarHBondContact O-CE2 3.39Å; P134-Y192 HydrophobicContact CB-CD2 3.97Å; F157-Y192 HydrophobicContact CD2-CE1 4.28Å; F157-Y192 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y192 AromaticContact CE2-CE1 3.47Å; F157-Y192 HydrophobicContact CE2-CE1 3.47Å; F157-Y192 VanDerWaalsContact CE2-CE1 3.47Å; F157-Y192 AromaticContact CE2-CZ 3.81Å; F157-Y192 WeakPolarHBondContact CE2-OH 3.09Å; F157-Y192 AromaticContact CZ-CE1 3.94Å; F157-Y192 HydrophobicContact CZ-CE1 3.94Å; T186-Y192 HydrophobicContact CG2-CD2 4.01Å; T186-Y192 HydrophobicContact CG2-CG 4.39Å; Y192-K194 HydrophobicContact CD1-CG 4.21Å; Y192-K194 HydrophobicContact CE1-CG 4.22Å; Y192-K194 PolarHBondContact O-N 3.18Å
193	E	95.3	Very high	91.3	Very high	76 Å²	76	66.3 Å²	66.3	36%	0.355	34%	0.335	S	S	.	.			trans	-86.8	111.4	178.2	-60.1	173.6	-176.6	0	0	108.5	P134 S136 R139	P134-E193 WeakPolarHBondContact O-CB 3.44Å; P134-E193 PolarHBondContact O-N 3.44Å; S136-E193 WeakPolarHBondContact CB-OE2 3.06Å; S136-E193 PolarHBondContact N-OE2 3.39Å; S136-E193 VanDerWaalsContact OG-CB 3.25Å; S136-E193 WeakPolarHBondContact OG-CB 3.18Å; S136-E193 PolarHBondContact OG-OE2 3.3Å; R139-E193 PolarHBondContact NH1-O 3.2Å; R139-E193 PolarHBondContact NH2-O 2.82Å
194	K	96.3	Very high	92	Very high	132 Å²	132	56.7 Å²	56.7	57%	0.574	30%	0.301	S	S	*	.			trans	-62.8	137	179.7	-63.9	-171.7	179.7	-166.6	0	110.4	F157 Y192 E196	F157-K194 HydrophobicContact CE1-CB 4.27Å; F157-K194 HydrophobicContact CE1-CD 4.16Å; F157-K194 HydrophobicContact CE1-CG 4.21Å; F157-K194 HydrophobicContact CZ-CB 4.36Å; F157-K194 HydrophobicContact CZ-CD 4.16Å; F157-K194 HydrophobicContact CZ-CG 3.96Å; Y192-K194 HydrophobicContact CD1-CG 4.21Å; Y192-K194 HydrophobicContact CE1-CG 4.22Å; Y192-K194 PolarHBondContact O-N 3.18Å; K194-E196 PolarHBondContact O-N 3.36Å
195	P	96.4	Very high	92.8	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.091	31%	0.311	C	S	.	.			trans	-57.9	131	172.7	-24.5	34.9	0	0	0	111.6	T58 F157 P198	T58-P195 HydrophobicContact CG2-CG 3.7Å; F157-P195 HydrophobicContact CB-CG 3.99Å; F157-P195 HydrophobicContact CD2-CG 4.25Å; F157-P195 HydrophobicContact CG-CG 4.01Å; P195-P198 HydrophobicContact CB-CB 3.94Å; P195-P198 HydrophobicContact CB-CG 4.08Å
196	E	95.4	Very high	93.1	Very high	197 Å²	197	62.7 Å²	62.7	92%	0.921	34%	0.337	S	S	*	.	S	Bend	trans	-78.1	-36.6	178.5	-65.3	-177.8	172.5	0	0	112.4	K194	K194-E196 PolarHBondContact O-N 3.36Å
197	A	96.2	Very high	93.4	Very high	77 Å²	77	64 Å²	64	64%	0.636	35%	0.346	S	S	*	.	S	Bend	trans	-136.8	61.6	-178.2	0	0	0	0	0	111.7
198	P	97.6	Very high	94	Very high	28 Å²	28	65.6 Å²	65.6	18%	0.182	35%	0.354	C	S	.	.			trans	-68.4	149.2	172.7	31.5	-33.5	0	0	0	110.3	E155 F157 P195 L200 V201	E155-P198 HydrophobicContact CG-CB 4.48Å; E155-P198 CarbonylContact O-C 3.42Å; E155-P198 WeakPolarHBondContact O-CB 3.31Å; F157-P198 HydrophobicContact CB-CB 4.11Å; F157-P198 HydrophobicContact CB-CG 4.21Å; P195-P198 HydrophobicContact CB-CB 3.94Å; P195-P198 HydrophobicContact CB-CG 4.08Å; P198-L200 PolarHBondContact O-N 2.85Å; P198-V201 HydrophobicContact CB-CG2 4.5Å; P198-V201 HydrophobicContact CG-CG2 3.51Å
199	E	98.4	Very high	94.3	Very high	52 Å²	52	66.7 Å²	66.7	24%	0.243	36%	0.362	C	S	.	.	S	Bend	trans	-65	-27.7	171.6	-80.4	74.5	-161.2	0	0	112.3	R143 F154 E155 L219	R143-E199 IonicContact CZ-OE1 2.73Å; R143-E199 IonicContact CZ-OE2 2.73Å; R143-E199 IonicContact NH1-OE1 3.06Å; R143-E199 PolarHBondContact NH1-OE1 3.3Å; R143-E199 IonicContact NH1-OE2 3.01Å; R143-E199 PolarHBondContact NH1-OE2 2.83Å; R143-E199 IonicContact NH2-OE1 3.89Å; R143-E199 PolarHBondContact NH2-OE1 2.76Å; R143-E199 IonicContact NH2-OE2 3.99Å; R143-E199 PolarHBondContact NH2-OE2 3.04Å; F154-E199 HydrophobicContact CD1-CG 4.2Å; E155-E199 WeakPolarHBondContact CB-OE2 3.44Å; E155-E199 PolarHBondContact N-OE2 3.4Å; E155-E199 PolarHBondContact O-N 2.66Å; E199-L219 HydrophobicContact CB-CD1 4.4Å; E199-L219 HydrophobicContact CB-CD2 4.08Å
200	L	98.1	Very high	94.6	Very high	29 Å²	29	68.7 Å²	68.7	15%	0.152	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.5	176.7	-175.6	64.7	0	0	0	111.8	E155 V156 F157 P198 L202 Q215 L216 L219	E155-L200 PolarHBondContact O-N 2.63Å; V156-L200 WeakPolarHBondContact CA-O 3.35Å; V156-L200 HydrophobicContact CG1-CB 4.45Å; V156-L200 HydrophobicContact CG1-CD2 4.49Å; V156-L200 HydrophobicContact CG2-CB 4.49Å; F157-L200 PolarHBondContact N-O 3.28Å; P198-L200 PolarHBondContact O-N 2.85Å; L200-L202 HydrophobicContact CD2-CD2 3.76Å; L200-L202 HydrophobicContact CD2-CG 4.28Å; L200-L202 HydrophobicContact CG-CD2 4.06Å; L200-L202 HydrophobicContact CG-CG 4.41Å; L200-Q215 HydrophobicContact CD1-CB 4.22Å; L200-Q215 HydrophobicContact CD2-CB 4Å; L200-L216 HydrophobicContact CD2-CD2 3.8Å; L200-L216 HydrophobicContact CD2-CG 3.85Å; L200-L219 HydrophobicContact CB-CD2 4.06Å
201	V	98.4	Very high	95.1	Very high	55 Å²	55	72.4 Å²	72.4	33%	0.333	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.5	171.8	-176.4	0	0	0	0	109.2	F157 D159 P198 K203	F157-V201 HydrophobicContact CB-CG2 4.33Å; F157-V201 HydrophobicContact CD1-CG1 3.99Å; F157-V201 HydrophobicContact CD1-CG2 4.35Å; F157-V201 CarbonylContact O-C 3.5Å; F157-V201 WeakPolarHBondContact O-CA 3.44Å; D159-V201 HydrophobicContact CB-CG1 3.94Å; P198-V201 HydrophobicContact CB-CG2 4.5Å; P198-V201 HydrophobicContact CG-CG2 3.51Å; V201-K203 HydrophobicContact CG1-CD 4.38Å
202	L	97.7	Very high	95.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.4	177.7	-62.5	178.7	0	0	0	109.9	V68 V156 F157 D159 L200 T204 C212 Q215 L216	V68-L202 HydrophobicContact CG1-CD1 3.99Å; V68-L202 HydrophobicContact CG2-CD1 4.42Å; V156-L202 HydrophobicContact CG1-CD1 3.65Å; V156-L202 HydrophobicContact CG1-CG 3.9Å; F157-L202 PolarHBondContact O-N 2.97Å; D159-L202 PolarHBondContact N-O 2.73Å; D159-L202 VanDerWaalsContact O-O 3.06Å; L200-L202 HydrophobicContact CD2-CD2 3.76Å; L200-L202 HydrophobicContact CD2-CG 4.28Å; L200-L202 HydrophobicContact CG-CD2 4.06Å; L200-L202 HydrophobicContact CG-CG 4.41Å; L202-T204 HydrophobicContact CB-CG2 4.38Å; L202-T204 PolarHBondContact O-N 3.01Å; L202-C212 HydrophobicContact CD1-CB 4.15Å; L202-C212 HydrophobicContact CD2-CB 4.08Å; L202-Q215 HydrophobicContact CD2-CB 4.16Å; L202-L216 HydrophobicContact CD1-CD1 3.89Å; L202-L216 HydrophobicContact CD1-CG 4.24Å
203	K	96.9	Very high	95.5	Very high	95 Å²	95	64.3 Å²	64.3	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	80.6	177.7	-63.9	-67.5	-174.8	174.7	0	110.8	D159 V201 D205 S206 C207	D159-K203 HydrophobicContact CB-CD 4.24Å; D159-K203 IonicContact OD2-NZ 2.74Å; D159-K203 PolarHBondContact OD2-NZ 2.95Å; V201-K203 HydrophobicContact CG1-CD 4.38Å; K203-D205 PolarHBondContact O-N 2.82Å; K203-D205 VanDerWaalsContact O-N 3.14Å; K203-S206 CarbonylContact O-C 3.55Å; K203-S206 PolarHBondContact O-N 2.88Å; K203-C207 WeakPolarHBondContact O-CB 3.14Å; K203-C207 PolarHBondContact O-N 2.89Å
204	T	95.8	Very high	95.4	Very high	18 Å²	18	65.7 Å²	65.7	11%	0.11	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.7	-169.3	70.6	0	0	0	0	114.9	A63 V158 D159 A160 R168 L202	A63-T204 WeakPolarHBondContact O-CG2 3.36Å; A63-T204 PolarHBondContact O-OG1 2.86Å; V158-T204 HydrophobicContact CG1-CG2 3.55Å; D159-T204 PolarHBondContact O-N 2.95Å; D159-T204 VanDerWaalsContact O-N 3.08Å; A160-T204 WeakPolarHBondContact CB-OG1 3.44Å; R168-T204 PolarHBondContact NH1-OG1 3.17Å; R168-T204 PolarHBondContact NH2-O 2.86Å; L202-T204 HydrophobicContact CB-CG2 4.38Å; L202-T204 PolarHBondContact O-N 3.01Å
205	D	94.7	Very high	95.5	Very high	73 Å²	73	62.4 Å²	62.4	39%	0.39	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.1	168.9	64.8	-29.6	0	0	0	112.3	P161 V164 K203	P161-D205 WeakPolarHBondContact CD-OD2 3.42Å; V164-D205 HydrophobicContact CG1-CB 4.45Å; K203-D205 PolarHBondContact O-N 2.82Å; K203-D205 VanDerWaalsContact O-N 3.14Å
206	S	93.8	Very high	95.5	Very high	93 Å²	93	61.8 Å²	61.8	65%	0.65	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-13	-175.7	-53.7	0	0	0	0	113.5	K203	K203-S206 CarbonylContact O-C 3.55Å; K203-S206 PolarHBondContact O-N 2.88Å
207	C	91.5	Very high	95.5	Very high	37 Å²	37	52.5 Å²	52.5	25%	0.25	30%	0.297	C	S	.	.	S	Bend	trans	-119.5	141	179.3	-61.8	0	0	0	0	111.2	K203 E211	K203-C207 WeakPolarHBondContact O-CB 3.14Å; K203-C207 PolarHBondContact O-N 2.89Å; C207-E211 WeakPolarHBondContact CA-OE2 3.32Å; C207-E211 HydrophobicContact CB-CB 4.16Å
208	S	94.7	Very high	95.5	Very high	57 Å²	57	51.6 Å²	51.6	40%	0.399	28%	0.281	S	S	.	.			trans	-68.8	165.8	166.3	67.3	0	0	0	0	111.7	N210 E211 C212	S208-N210 VanDerWaalsContact C-N 3.31Å; S208-N210 PolarHBondContact O-N 2.83Å; S208-E211 WeakPolarHBondContact CB-OE2 3.41Å; S208-E211 PolarHBondContact N-OE2 2.81Å; S208-E211 PolarHBondContact O-N 3.08Å; S208-E211 VanDerWaalsContact OG-CD 3.31Å; S208-E211 WeakPolarHBondContact OG-CG 3.22Å; S208-E211 PolarHBondContact OG-N 3.25Å; S208-E211 PolarHBondContact OG-OE2 2.83Å; S208-C212 PolarHBondContact O-N 3.05Å; S208-C212 VanDerWaalsContact O-N 3.1Å; S208-C212 PolarHBondContact O-SG 3.06Å
209	V	93.3	Very high	95.5	Very high	62 Å²	62	50.8 Å²	50.8	38%	0.376	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.9	177.9	0	0	0	0	110.9	T67 A71 E211 C212 I213	T67-V209 HydrophobicContact CG2-CG1 4.38Å; T67-V209 HydrophobicContact CG2-CG2 3.79Å; A71-V209 HydrophobicContact CB-CG1 3.93Å; V209-E211 PolarHBondContact O-N 2.64Å; V209-C212 WeakPolarHBondContact O-CB 3.18Å; V209-C212 PolarHBondContact O-N 3.06Å; V209-C212 VanDerWaalsContact O-N 3.13Å; V209-I213 HydrophobicContact CG1-CG1 4.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.82Å
210	N	89.9	Confident	95.4	Very high	135 Å²	135	48.3 Å²	48.3	72%	0.722	26%	0.264	S	S	*	.	H	α-helix	trans	-61.7	-42.6	-179.8	-69.6	-8	0	0	0	112.1	S208 C212 I213 Q214	S208-N210 VanDerWaalsContact C-N 3.31Å; S208-N210 PolarHBondContact O-N 2.83Å; N210-C212 VanDerWaalsContact C-N 3.29Å; N210-C212 PolarHBondContact O-N 3.37Å; N210-I213 PolarHBondContact O-N 3.43Å; N210-Q214 WeakPolarHBondContact O-CB 3.18Å; N210-Q214 PolarHBondContact O-N 3.28Å
211	E	93.8	Very high	95.2	Very high	102 Å²	102	49.2 Å²	49.2	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-34.5	176.1	-70.9	162	143.6	0	0	112	C207 S208 V209 Q215	C207-E211 WeakPolarHBondContact CA-OE2 3.32Å; C207-E211 HydrophobicContact CB-CB 4.16Å; S208-E211 WeakPolarHBondContact CB-OE2 3.41Å; S208-E211 PolarHBondContact N-OE2 2.81Å; S208-E211 PolarHBondContact O-N 3.08Å; S208-E211 VanDerWaalsContact OG-CD 3.31Å; S208-E211 WeakPolarHBondContact OG-CG 3.22Å; S208-E211 PolarHBondContact OG-N 3.25Å; S208-E211 PolarHBondContact OG-OE2 2.83Å; V209-E211 PolarHBondContact O-N 2.64Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.86Å; E211-Q215 PolarHBondContact O-NE2 3.35Å; E211-Q215 VanDerWaalsContact O-NE2 3.12Å
212	C	95.4	Very high	95	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-42.5	174.3	-65.3	0	0	0	0	112	V68 L202 S208 V209 N210 L216	V68-C212 HydrophobicContact CG2-CB 4.45Å; L202-C212 HydrophobicContact CD1-CB 4.15Å; L202-C212 HydrophobicContact CD2-CB 4.08Å; S208-C212 PolarHBondContact O-N 3.05Å; S208-C212 VanDerWaalsContact O-N 3.1Å; S208-C212 PolarHBondContact O-SG 3.06Å; V209-C212 WeakPolarHBondContact O-CB 3.18Å; V209-C212 PolarHBondContact O-N 3.06Å; V209-C212 VanDerWaalsContact O-N 3.13Å; N210-C212 VanDerWaalsContact C-N 3.29Å; N210-C212 PolarHBondContact O-N 3.37Å; C212-L216 PolarHBondContact O-N 3.24Å; C212-L216 VanDerWaalsContact O-N 3.16Å
213	I	96.9	Very high	94.9	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-41.1	177.5	-63.3	-51.3	0	0	0	110.9	V68 A71 L72 Y75 V209 N210 Q215 L216 V217	V68-I213 HydrophobicContact CG1-CD1 4.26Å; A71-I213 HydrophobicContact CB-CD1 3.8Å; A71-I213 HydrophobicContact CB-CG1 3.84Å; L72-I213 HydrophobicContact CB-CD1 3.92Å; Y75-I213 HydrophobicContact CD2-CG2 4.34Å; Y75-I213 HydrophobicContact CG-CG2 4.4Å; V209-I213 HydrophobicContact CG1-CG1 4.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.82Å; N210-I213 PolarHBondContact O-N 3.43Å; I213-Q215 PolarHBondContact O-N 3.16Å; I213-L216 HydrophobicContact CD1-CD1 4.37Å; I213-L216 WeakPolarHBondContact O-CB 3.42Å; I213-L216 PolarHBondContact O-N 3.02Å; I213-V217 HydrophobicContact CG2-CG2 4.12Å; I213-V217 WeakPolarHBondContact O-CB 3.27Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.45Å; I213-V217 PolarHBondContact O-N 3.06Å
214	Q	93.2	Very high	94.8	Very high	105 Å²	105	61.8 Å²	61.8	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-57.9	-50.9	176.1	-171.9	62.8	52.8	0	0	111.3	N210 L216 V217 D218	N210-Q214 WeakPolarHBondContact O-CB 3.18Å; N210-Q214 PolarHBondContact O-N 3.28Å; Q214-L216 VanDerWaalsContact C-N 3.27Å; Q214-L216 PolarHBondContact O-N 3.2Å; Q214-V217 PolarHBondContact O-N 3.31Å; Q214-V217 VanDerWaalsContact O-N 3.13Å; Q214-D218 PolarHBondContact NE2-OD1 3.45Å; Q214-D218 WeakPolarHBondContact O-CB 3.2Å; Q214-D218 PolarHBondContact O-N 3.15Å
215	Q	96.6	Very high	94.8	Very high	63 Å²	63	61.3 Å²	61.3	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-37.4	177.8	-72.6	171.8	67.3	0	0	113.1	L200 L202 E211 I213 L219	L200-Q215 HydrophobicContact CD1-CB 4.22Å; L200-Q215 HydrophobicContact CD2-CB 4Å; L202-Q215 HydrophobicContact CD2-CB 4.16Å; E211-Q215 WeakPolarHBondContact O-CG 3.37Å; E211-Q215 PolarHBondContact O-N 2.86Å; E211-Q215 PolarHBondContact O-NE2 3.35Å; E211-Q215 VanDerWaalsContact O-NE2 3.12Å; I213-Q215 PolarHBondContact O-N 3.16Å; Q215-L219 PolarHBondContact O-N 3.08Å; Q215-L219 VanDerWaalsContact O-N 3.1Å
216	L	97.3	Very high	94.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-44.1	175.8	-83.7	165.1	0	0	0	112.2	V55 V68 L72 V156 L200 L202 C212 I213 Q214 L219 L220	V55-L216 HydrophobicContact CG1-CD2 4.24Å; V68-L216 HydrophobicContact CG1-CD1 3.34Å; L72-L216 HydrophobicContact CD2-CD1 4.24Å; V156-L216 HydrophobicContact CB-CD2 4.43Å; V156-L216 HydrophobicContact CG1-CD2 4Å; V156-L216 HydrophobicContact CG2-CD2 3.64Å; L200-L216 HydrophobicContact CD2-CD2 3.8Å; L200-L216 HydrophobicContact CD2-CG 3.85Å; L202-L216 HydrophobicContact CD1-CD1 3.89Å; L202-L216 HydrophobicContact CD1-CG 4.24Å; C212-L216 PolarHBondContact O-N 3.24Å; C212-L216 VanDerWaalsContact O-N 3.16Å; I213-L216 HydrophobicContact CD1-CD1 4.37Å; I213-L216 WeakPolarHBondContact O-CB 3.42Å; I213-L216 PolarHBondContact O-N 3.02Å; Q214-L216 VanDerWaalsContact C-N 3.27Å; Q214-L216 PolarHBondContact O-N 3.2Å; L216-L219 PolarHBondContact O-N 3.35Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.17Å; L216-L220 PolarHBondContact O-N 3.37Å
217	V	96.1	Very high	94.7	Very high	2 Å²	2	56 Å²	56	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-43.5	177.6	168.8	0	0	0	0	110.4	L72 Y75 I213 Q214 L219 L220 Q221 V226	L72-V217 HydrophobicContact CD1-CG2 4.39Å; Y75-V217 HydrophobicContact CD1-CG2 3.63Å; Y75-V217 HydrophobicContact CD2-CG2 4.18Å; Y75-V217 HydrophobicContact CE1-CB 4.36Å; Y75-V217 HydrophobicContact CE1-CG1 3.95Å; Y75-V217 HydrophobicContact CE1-CG2 3.41Å; Y75-V217 VanDerWaalsContact CE1-CG2 3.41Å; Y75-V217 HydrophobicContact CE2-CG1 4.49Å; Y75-V217 HydrophobicContact CE2-CG2 3.97Å; Y75-V217 HydrophobicContact CG-CG2 4.04Å; Y75-V217 WeakPolarHBondContact OH-CG1 3.3Å; I213-V217 HydrophobicContact CG2-CG2 4.12Å; I213-V217 WeakPolarHBondContact O-CB 3.27Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.45Å; I213-V217 PolarHBondContact O-N 3.06Å; Q214-V217 PolarHBondContact O-N 3.31Å; Q214-V217 VanDerWaalsContact O-N 3.13Å; V217-L219 PolarHBondContact O-N 2.82Å; V217-L220 CarbonylContact O-C 3.47Å; V217-L220 PolarHBondContact O-N 3.17Å; V217-L220 VanDerWaalsContact O-N 3.08Å; V217-Q221 HydrophobicContact CG1-CG 4.26Å; V217-Q221 WeakPolarHBondContact O-CB 3.47Å; V217-Q221 WeakPolarHBondContact O-CG 3.26Å; V217-Q221 PolarHBondContact O-N 3.15Å; V217-V226 HydrophobicContact CG1-CG1 4.49Å
218	D	94.6	Very high	94.5	Very high	58 Å²	58	59 Å²	59	31%	0.31	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-48.6	176.5	-64.3	-19.1	0	0	0	110.6	Q214 L220 Q221 E222	Q214-D218 PolarHBondContact NE2-OD1 3.45Å; Q214-D218 WeakPolarHBondContact O-CB 3.2Å; Q214-D218 PolarHBondContact O-N 3.15Å; D218-L220 VanDerWaalsContact C-N 3.31Å; D218-L220 PolarHBondContact O-N 3.14Å; D218-Q221 PolarHBondContact O-N 3.38Å; D218-Q221 VanDerWaalsContact O-N 3.15Å; D218-E222 WeakPolarHBondContact O-CG 3.45Å; D218-E222 PolarHBondContact O-N 2.82Å
219	L	97.4	Very high	94.1	Very high	11 Å²	11	59 Å²	59	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-45	173.3	172.8	68.3	0	0	0	111.7	F154 E199 L200 Q215 L216 V217 Q221 R223	F154-L219 HydrophobicContact CB-CD2 4.3Å; F154-L219 HydrophobicContact CD1-CD2 4.31Å; F154-L219 HydrophobicContact CG-CD2 4.46Å; E199-L219 HydrophobicContact CB-CD1 4.4Å; E199-L219 HydrophobicContact CB-CD2 4.08Å; L200-L219 HydrophobicContact CB-CD2 4.06Å; Q215-L219 PolarHBondContact O-N 3.08Å; Q215-L219 VanDerWaalsContact O-N 3.1Å; L216-L219 PolarHBondContact O-N 3.35Å; V217-L219 PolarHBondContact O-N 2.82Å; L219-Q221 VanDerWaalsContact C-N 3.31Å; L219-Q221 PolarHBondContact O-N 3.4Å; L219-R223 HydrophobicContact CD1-CG 4.16Å; L219-R223 WeakPolarHBondContact O-CB 3.3Å; L219-R223 WeakPolarHBondContact O-CG 3.05Å; L219-R223 PolarHBondContact O-N 2.87Å
220	L	97.3	Very high	93.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-27	-179.1	-68.5	179.2	0	0	0	112.7	V55 L72 F154 L216 V217 D218 D224 I225 V226	V55-L220 HydrophobicContact CG2-CD1 4.45Å; V55-L220 HydrophobicContact CG2-CD2 4.09Å; L72-L220 HydrophobicContact CD1-CD1 4.44Å; F154-L220 HydrophobicContact CD2-CD2 3.81Å; F154-L220 HydrophobicContact CE2-CD2 3.7Å; F154-L220 HydrophobicContact CZ-CD2 4.35Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.17Å; L216-L220 PolarHBondContact O-N 3.37Å; V217-L220 CarbonylContact O-C 3.47Å; V217-L220 PolarHBondContact O-N 3.17Å; V217-L220 VanDerWaalsContact O-N 3.08Å; D218-L220 VanDerWaalsContact C-N 3.31Å; D218-L220 PolarHBondContact O-N 3.14Å; L220-D224 PolarHBondContact O-N 3.14Å; L220-I225 HydrophobicContact CB-CB 4.19Å; L220-I225 HydrophobicContact CD2-CB 4.08Å; L220-I225 HydrophobicContact CD2-CG1 4.19Å; L220-I225 HydrophobicContact CD2-CG2 4.1Å; L220-I225 WeakPolarHBondContact O-CA 3.38Å; L220-I225 WeakPolarHBondContact O-CB 3.34Å; L220-I225 PolarHBondContact O-N 2.9Å; L220-V226 HydrophobicContact CB-CB 4.1Å; L220-V226 HydrophobicContact CB-CG2 3.62Å; L220-V226 HydrophobicContact CD1-CG2 4.02Å; L220-V226 HydrophobicContact CG-CG2 4.48Å; L220-V226 PolarHBondContact O-N 2.68Å
221	Q	93.8	Very high	93.7	Very high	48 Å²	48	53.7 Å²	53.7	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-73.6	-46.6	172.8	-74	175.6	-9.4	0	0	111.6	V217 D218 L219 R223 D224 V226 V228	V217-Q221 HydrophobicContact CG1-CG 4.26Å; V217-Q221 WeakPolarHBondContact O-CB 3.47Å; V217-Q221 WeakPolarHBondContact O-CG 3.26Å; V217-Q221 PolarHBondContact O-N 3.15Å; D218-Q221 PolarHBondContact O-N 3.38Å; D218-Q221 VanDerWaalsContact O-N 3.15Å; L219-Q221 VanDerWaalsContact C-N 3.31Å; L219-Q221 PolarHBondContact O-N 3.4Å; Q221-R223 PolarHBondContact O-N 2.64Å; Q221-R223 VanDerWaalsContact O-N 3.08Å; Q221-D224 PolarHBondContact O-N 2.89Å; Q221-V226 WeakPolarHBondContact CA-O 3.37Å; Q221-V226 HydrophobicContact CG-CB 3.96Å; Q221-V226 HydrophobicContact CG-CG1 3.88Å; Q221-V226 WeakPolarHBondContact CG-O 3.36Å; Q221-V228 HydrophobicContact CB-CG2 3.95Å; Q221-V228 HydrophobicContact CG-CG2 3.99Å
222	E	94.3	Very high	93.5	Very high	148 Å²	148	50.4 Å²	50.4	69%	0.692	26%	0.261	S	S	*	.	H	α-helix	trans	-57.6	-23.7	174.8	-73.6	178.1	-179.2	0	0	113.1	D218	D218-E222 WeakPolarHBondContact O-CG 3.45Å; D218-E222 PolarHBondContact O-N 2.82Å
223	R	95.9	Very high	93.5	Very high	120 Å²	120	57.6 Å²	57.6	45%	0.453	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	14.8	-177.7	-57.4	-66.5	-172.1	95.2	8	113.2	F154 L219 Q221 I225	F154-R223 HydrophobicContact CE1-CB 3.87Å; F154-R223 HydrophobicContact CE1-CG 3.7Å; F154-R223 HydrophobicContact CZ-CB 3.82Å; F154-R223 HydrophobicContact CZ-CG 4.19Å; L219-R223 HydrophobicContact CD1-CG 4.16Å; L219-R223 WeakPolarHBondContact O-CB 3.3Å; L219-R223 WeakPolarHBondContact O-CG 3.05Å; L219-R223 PolarHBondContact O-N 2.87Å; Q221-R223 PolarHBondContact O-N 2.64Å; Q221-R223 VanDerWaalsContact O-N 3.08Å; R223-I225 HydrophobicContact CB-CG1 4.42Å; R223-I225 PolarHBondContact O-N 3.04Å; R223-I225 VanDerWaalsContact O-N 3.15Å
224	D	93.9	Very high	93.5	Very high	145 Å²	145	57.7 Å²	57.7	78%	0.775	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.9	176.8	-58.7	-54.8	0	0	0	115	L220 Q221	L220-D224 PolarHBondContact O-N 3.14Å; Q221-D224 PolarHBondContact O-N 2.89Å
225	I	96.7	Very high	93.7	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.041	29%	0.291	C	S	.	.	S	Bend	trans	-85.7	-48	175.6	-58.2	-57.8	0	0	0	110.3	R51 C53 V126 P152 F154 L220 R223	R51-I225 HydrophobicContact CB-CG2 4.34Å; R51-I225 WeakPolarHBondContact CD-O 3.37Å; R51-I225 PolarHBondContact NE-O 3.45Å; C53-I225 HydrophobicContact CB-CD1 3.97Å; V126-I225 HydrophobicContact CG2-CG2 3.87Å; P152-I225 HydrophobicContact CG-CD1 4.22Å; F154-I225 HydrophobicContact CE2-CD1 4.39Å; F154-I225 HydrophobicContact CE2-CG1 3.84Å; F154-I225 HydrophobicContact CZ-CD1 4.39Å; F154-I225 HydrophobicContact CZ-CG1 3.84Å; L220-I225 HydrophobicContact CB-CB 4.19Å; L220-I225 HydrophobicContact CD2-CB 4.08Å; L220-I225 HydrophobicContact CD2-CG1 4.19Å; L220-I225 HydrophobicContact CD2-CG2 4.1Å; L220-I225 WeakPolarHBondContact O-CA 3.38Å; L220-I225 WeakPolarHBondContact O-CB 3.34Å; L220-I225 PolarHBondContact O-N 2.9Å; R223-I225 HydrophobicContact CB-CG1 4.42Å; R223-I225 PolarHBondContact O-N 3.04Å; R223-I225 VanDerWaalsContact O-N 3.15Å
226	V	95.6	Very high	93.8	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	29%	0.293	C	S	.	.	S	Bend	trans	-102.8	120.8	175.8	174.8	0	0	0	0	107.6	Y75 L76 I81 V217 L220 Q221	Y75-V226 HydrophobicContact CE1-CG1 4.48Å; L76-V226 HydrophobicContact CD2-CG2 3.8Å; I81-V226 HydrophobicContact CD1-CB 4.21Å; I81-V226 HydrophobicContact CD1-CG1 4.06Å; I81-V226 HydrophobicContact CD1-CG2 3.85Å; V217-V226 HydrophobicContact CG1-CG1 4.49Å; L220-V226 HydrophobicContact CB-CB 4.1Å; L220-V226 HydrophobicContact CB-CG2 3.62Å; L220-V226 HydrophobicContact CD1-CG2 4.02Å; L220-V226 HydrophobicContact CG-CG2 4.48Å; L220-V226 PolarHBondContact O-N 2.68Å; Q221-V226 WeakPolarHBondContact CA-O 3.37Å; Q221-V226 HydrophobicContact CG-CB 3.96Å; Q221-V226 HydrophobicContact CG-CG1 3.88Å; Q221-V226 WeakPolarHBondContact CG-O 3.36Å
227	P	90.1	Very high	93.9	Very high	50 Å²	50	58.1 Å²	58.1	33%	0.325	30%	0.297	S	S	.	.			trans	-64.8	144.5	174.3	-24.1	37.1	0	0	0	111.4	D229	P227-D229 PolarHBondContact O-N 2.9Å
228	V	88.1	Confident	94	Very high	102 Å²	102	59.9 Å²	59.9	62%	0.618	30%	0.304	S	S	*	.			trans	-79.1	111.3	167	-177.1	0	0	0	0	107.6	Q221	Q221-V228 HydrophobicContact CB-CG2 3.95Å; Q221-V228 HydrophobicContact CG-CG2 3.99Å
229	D	85.4	Confident	94.1	Very high	57 Å²	57	58.1 Å²	58.1	31%	0.305	30%	0.295	S	S	.	.			trans	-70.8	152.5	177.6	-72.6	-16.8	0	0	0	111.1	R47 P227 S231 G299	R47-D229 IonicContact CZ-OD1 3.97Å; R47-D229 VanDerWaalsContact CZ-OD1 3.22Å; R47-D229 IonicContact CZ-OD2 3.91Å; R47-D229 IonicContact NH1-OD1 3.75Å; R47-D229 PolarHBondContact NH1-OD1 3.06Å; R47-D229 IonicContact NH1-OD2 2.63Å; R47-D229 VanDerWaalsContact NH2-CG 3.31Å; R47-D229 IonicContact NH2-OD1 2.89Å; R47-D229 PolarHBondContact NH2-OD1 2.99Å; R47-D229 IonicContact NH2-OD2 2.76Å; R47-D229 PolarHBondContact NH2-OD2 3.06Å; P227-D229 PolarHBondContact O-N 2.9Å; D229-S231 PolarHBondContact O-N 3.43Å; D229-G299 CarbonylContact C-O 3.6Å; D229-G299 VanDerWaalsContact CA-O 3.31Å; D229-G299 WeakPolarHBondContact CA-O 3.36Å; D229-G299 WeakPolarHBondContact CB-O 3.45Å
230	A	85.8	Confident	93.9	Very high	30 Å²	30	63 Å²	63	25%	0.248	32%	0.318	C	S	.	.			trans	-60.2	127.6	173	0	0	0	0	0	109.3	P277 G299 I302	A230-P277 HydrophobicContact CB-CG 4.45Å; A230-G299 PolarHBondContact N-O 3.06Å; A230-I302 HydrophobicContact CB-CD1 3.99Å; A230-I302 HydrophobicContact CB-CG1 3.61Å
231	S	89.3	Confident	93.6	Very high	54 Å²	54	71.6 Å²	71.6	38%	0.378	36%	0.358	S	S	.	.			trans	-119.6	155.4	-173	-178.9	0	0	0	0	111.7	D229 E233 T276	D229-S231 PolarHBondContact O-N 3.43Å; S231-E233 VanDerWaalsContact C-N 3.34Å; S231-E233 WeakPolarHBondContact OG-CB 3.44Å; S231-E233 PolarHBondContact OG-N 3.49Å; S231-T276 WeakPolarHBondContact O-CG2 3.49Å
232	Y	90.9	Very high	93.7	Very high	33 Å²	33	75.5 Å²	75.5	13%	0.129	38%	0.38	C	S	.	.			trans	-92.3	6	168.1	-73	-82.1	0	0	0	112.7	V234 I302 N303 M511 V512 G551	Y232-V234 PolarHBondContact O-N 2.78Å; Y232-I302 HydrophobicContact CD2-CD1 3.85Å; Y232-I302 HydrophobicContact CE1-CD1 4.37Å; Y232-I302 HydrophobicContact CE1-CG2 3.99Å; Y232-I302 HydrophobicContact CE2-CD1 3.44Å; Y232-I302 VanDerWaalsContact CE2-CD1 3.44Å; Y232-I302 HydrophobicContact CG-CD1 4.44Å; Y232-I302 WeakPolarHBondContact OH-CA 3.28Å; Y232-N303 PolarHBondContact OH-N 3.25Å; Y232-M511 HydrophobicContact CD1-CE 3.54Å; Y232-M511 HydrophobicContact CD2-CE 3.99Å; Y232-M511 HydrophobicContact CE1-CE 3.23Å; Y232-M511 HydrophobicContact CE2-CE 3.76Å; Y232-M511 HydrophobicContact CG-CE 3.9Å; Y232-V512 HydrophobicContact CD1-CG2 3.75Å; Y232-G551 WeakPolarHBondContact CE2-O 3.5Å; Y232-G551 VanDerWaalsContact CZ-O 3.31Å; Y232-G551 PolarHBondContact OH-O 3.3Å
233	E	93.7	Very high	93.7	Very high	153 Å²	153	73.7 Å²	73.7	72%	0.715	37%	0.37	S	S	*	.	S	Bend	trans	-60.6	126.6	170.2	-174.8	178.5	-176.7	0	0	110.3	S231 K235 T276	S231-E233 VanDerWaalsContact C-N 3.34Å; S231-E233 WeakPolarHBondContact OG-CB 3.44Å; S231-E233 PolarHBondContact OG-N 3.49Å; E233-K235 PolarHBondContact O-N 3.33Å; E233-T276 WeakPolarHBondContact O-CG2 3.32Å
234	V	97.4	Very high	93.7	Very high	19 Å²	19	69.5 Å²	69.5	12%	0.115	36%	0.356	C	S	.	.			trans	-59.5	115.6	-168.6	178.8	0	0	0	0	110	Y232 E236 P400 N401 V512	Y232-V234 PolarHBondContact O-N 2.78Å; V234-E236 HydrophobicContact CG1-CG 4.17Å; V234-P400 HydrophobicContact CG1-CB 4.13Å; V234-P400 HydrophobicContact CG2-CB 3.85Å; V234-N401 WeakPolarHBondContact CG1-ND2 3.28Å; V234-V512 HydrophobicContact CG2-CG1 3.82Å
235	K	97.8	Very high	93.9	Very high	87 Å²	87	68.8 Å²	68.8	38%	0.378	35%	0.352	S	S	.	.			trans	-103.5	97.3	174.7	-173.6	175.7	-170.8	164	0	109.4	E233 L237 G273 T276 N279	E233-K235 PolarHBondContact O-N 3.33Å; K235-L237 HydrophobicContact CD-CD2 4.49Å; K235-L237 HydrophobicContact CG-CD2 4.22Å; K235-G273 WeakPolarHBondContact O-CA 3.18Å; K235-T276 HydrophobicContact CB-CG2 4.37Å; K235-T276 PolarHBondContact N-OG1 3.01Å; K235-N279 WeakPolarHBondContact CE-OD1 3.34Å; K235-N279 PolarHBondContact NZ-OD1 3.34Å
236	E	98.4	Very high	93.9	Very high	75 Å²	75	74.6 Å²	74.6	35%	0.35	38%	0.383	S	S	.	.			trans	-74.2	144.1	170.4	-67.7	-175.6	-170	0	0	110.3	V234 A271 N401	V234-E236 HydrophobicContact CG1-CG 4.17Å; E236-A271 CarbonylContact C-O 3.58Å; E236-A271 VanDerWaalsContact CA-O 3.27Å; E236-A271 WeakPolarHBondContact CA-O 3.38Å; E236-A271 WeakPolarHBondContact CB-O 3.45Å; E236-N401 PolarHBondContact OE1-ND2 3.04Å
237	L	98.7	Very high	93.9	Very high	15 Å²	15	74.9 Å²	74.9	8%	0.079	39%	0.385	C	S	.	.			trans	-107.9	11.8	178.8	-54.9	-177.1	0	0	0	112.3	K235 L270 A271 L381 V383	K235-L237 HydrophobicContact CD-CD2 4.49Å; K235-L237 HydrophobicContact CG-CD2 4.22Å; L237-L270 HydrophobicContact CD1-CB 4.12Å; L237-A271 PolarHBondContact N-O 3.47Å; L237-L381 HydrophobicContact CD1-CB 4.24Å; L237-V383 PolarHBondContact O-N 2.89Å
238	Y	98.6	Very high	94.3	Very high	40 Å²	40	75.6 Å²	75.6	16%	0.157	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-66.3	140.2	168.3	-71.6	-63.8	0	0	0	110.8	A271 E272 V383 R386 I387	Y238-A271 HydrophobicContact CD1-CB 4.16Å; Y238-A271 HydrophobicContact CD2-CB 4.22Å; Y238-A271 HydrophobicContact CE1-CB 3.64Å; Y238-A271 HydrophobicContact CE2-CB 3.73Å; Y238-A271 HydrophobicContact CG-CB 4.42Å; Y238-A271 VanDerWaalsContact CZ-CB 3.42Å; Y238-E272 HydrophobicContact CE2-CG 4Å; Y238-V383 CarbonylContact C-O 3.56Å; Y238-V383 WeakPolarHBondContact CA-O 3.36Å; Y238-V383 HydrophobicContact CD1-CB 3.86Å; Y238-V383 HydrophobicContact CD1-CG1 3.76Å; Y238-V383 HydrophobicContact CE1-CB 4.12Å; Y238-V383 HydrophobicContact CE1-CG1 3.57Å; Y238-R386 HydrophobicContact CE1-CB 4.39Å; Y238-I387 HydrophobicContact CE1-CG1 4.41Å; Y238-I387 PolarHBondContact OH-N 2.74Å
239	V	96.8	Very high	94.8	Very high	20 Å²	20	73.6 Å²	73.6	12%	0.121	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.7	136.3	167	178.2	0	0	0	0	108.3	E241 K243 A247 Q382 V383 L384	V239-E241 PolarHBondContact O-N 3.37Å; V239-K243 HydrophobicContact CG1-CB 3.8Å; V239-A247 HydrophobicContact CB-CB 4.47Å; V239-A247 HydrophobicContact CG1-CB 3.92Å; V239-A247 HydrophobicContact CG2-CB 4.04Å; V239-Q382 HydrophobicContact CG2-CB 3.87Å; V239-V383 PolarHBondContact N-O 2.71Å; V239-L384 HydrophobicContact CG2-CD2 4.33Å
240	Q	93.2	Very high	95.3	Very high	115 Å²	115	73.7 Å²	73.7	54%	0.537	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-54.7	138.1	174.3	-65.9	176.5	-26.8	0	0	110.4	N242 K243 L244	Q240-N242 VanDerWaalsContact CB-OD1 3.23Å; Q240-N242 WeakPolarHBondContact CB-OD1 3.43Å; Q240-N242 PolarHBondContact O-N 2.9Å; Q240-N242 VanDerWaalsContact O-N 3.12Å; Q240-K243 WeakPolarHBondContact O-CA 3.47Å; Q240-K243 PolarHBondContact O-N 2.94Å; Q240-K243 VanDerWaalsContact OE1-NZ 3.1Å; Q240-L244 PolarHBondContact O-N 2.99Å
241	E	92.3	Very high	95.9	Very high	181 Å²	181	72.3 Å²	72.3	85%	0.846	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-53.1	-39.9	-173.7	-171	175.7	-169.5	0	0	112.8	V239 K243 L244	V239-E241 PolarHBondContact O-N 3.37Å; E241-K243 PolarHBondContact O-N 2.86Å; E241-K243 VanDerWaalsContact O-N 3.16Å; E241-L244 WeakPolarHBondContact O-CB 3.28Å; E241-L244 PolarHBondContact O-N 3.39Å
242	N	94.1	Very high	96.3	Very high	130 Å²	130	75.5 Å²	75.5	70%	0.695	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.4	-9.4	177.6	67.4	-19	0	0	0	115.2	Q240	Q240-N242 VanDerWaalsContact CB-OD1 3.23Å; Q240-N242 WeakPolarHBondContact CB-OD1 3.43Å; Q240-N242 PolarHBondContact O-N 2.9Å; Q240-N242 VanDerWaalsContact O-N 3.12Å
243	K	95.4	Very high	96.6	Very high	110 Å²	110	79.2 Å²	79.2	48%	0.478	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-115.3	-0.9	178.2	-66.7	175.6	-175	164.6	0	112.7	V239 Q240 E241 D245 L246 A247	V239-K243 HydrophobicContact CG1-CB 3.8Å; Q240-K243 WeakPolarHBondContact O-CA 3.47Å; Q240-K243 PolarHBondContact O-N 2.94Å; Q240-K243 VanDerWaalsContact OE1-NZ 3.1Å; E241-K243 PolarHBondContact O-N 2.86Å; E241-K243 VanDerWaalsContact O-N 3.16Å; K243-D245 PolarHBondContact O-N 3.23Å; K243-L246 PolarHBondContact O-N 3.14Å; K243-A247 PolarHBondContact O-N 3.24Å
244	L	96.1	Very high	96.8	Very high	31 Å²	31	73 Å²	73	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-46.3	-171.2	-179	59.2	0	0	0	112.7	Q240 E241 L246 A247 K248 L384	Q240-L244 PolarHBondContact O-N 2.99Å; E241-L244 WeakPolarHBondContact O-CB 3.28Å; E241-L244 PolarHBondContact O-N 3.39Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 2.93Å; L244-A247 PolarHBondContact O-N 2.96Å; L244-K248 HydrophobicContact CD1-CG 4.36Å; L244-K248 HydrophobicContact CG-CD 4.31Å; L244-K248 WeakPolarHBondContact O-CG 3.13Å; L244-K248 PolarHBondContact O-N 2.86Å; L244-L384 VanDerWaalsContact CD1-C 3.42Å; L244-L384 HydrophobicContact CD1-CB 3.99Å; L244-L384 HydrophobicContact CD1-CD2 4.42Å; L244-L384 WeakPolarHBondContact CD1-O 3.36Å
245	D	96.9	Very high	96.9	Very high	130 Å²	130	74.6 Å²	74.6	70%	0.695	38%	0.384	S	S	*	.	H	α-helix	trans	-63.5	-38.4	-179.2	-69	-28	0	0	0	112.3	K243 K248 A249	K243-D245 PolarHBondContact O-N 3.23Å; D245-K248 PolarHBondContact O-N 3.39Å; D245-A249 PolarHBondContact O-N 3.5Å
246	L	96.5	Very high	96.9	Very high	131 Å²	131	71.7 Å²	71.7	69%	0.686	38%	0.377	S	S	*	.	H	α-helix	trans	-65.3	-43.3	174.3	-69.1	172.9	0	0	0	111.3	K243 L244 K248 A249 D250	K243-L246 PolarHBondContact O-N 3.14Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 2.93Å; L246-K248 VanDerWaalsContact C-N 3.34Å; L246-A249 PolarHBondContact O-N 3.14Å; L246-D250 WeakPolarHBondContact O-CB 3.48Å; L246-D250 PolarHBondContact O-N 3.41Å
247	A	97.3	Very high	96.9	Very high	9 Å²	9	68.3 Å²	68.3	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-35.4	177.5	0	0	0	0	0	112.3	V239 K243 L244 D250 A251 L384	V239-A247 HydrophobicContact CB-CB 4.47Å; V239-A247 HydrophobicContact CG1-CB 3.92Å; V239-A247 HydrophobicContact CG2-CB 4.04Å; K243-A247 PolarHBondContact O-N 3.24Å; L244-A247 PolarHBondContact O-N 2.96Å; A247-D250 PolarHBondContact O-N 3.4Å; A247-A251 WeakPolarHBondContact O-CB 3.44Å; A247-A251 PolarHBondContact O-N 3.21Å; A247-L384 HydrophobicContact CB-CD2 3.57Å
248	K	98.2	Very high	96.8	Very high	65 Å²	65	74 Å²	74	28%	0.283	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-45.3	172.4	-75.6	176.7	175.5	177.9	0	111.7	L244 D245 L246 A251 E252 L384 D385	L244-K248 HydrophobicContact CD1-CG 4.36Å; L244-K248 HydrophobicContact CG-CD 4.31Å; L244-K248 WeakPolarHBondContact O-CG 3.13Å; L244-K248 PolarHBondContact O-N 2.86Å; D245-K248 PolarHBondContact O-N 3.39Å; L246-K248 VanDerWaalsContact C-N 3.34Å; K248-A251 WeakPolarHBondContact O-CB 3.2Å; K248-A251 PolarHBondContact O-N 2.85Å; K248-E252 PolarHBondContact O-N 3.17Å; K248-E252 VanDerWaalsContact O-N 3.14Å; K248-L384 HydrophobicContact CG-CD1 4.29Å; K248-L384 HydrophobicContact CG-CD2 4.44Å; K248-D385 VanDerWaalsContact CE-CG 3.43Å; K248-D385 WeakPolarHBondContact CE-OD1 3.27Å; K248-D385 WeakPolarHBondContact CE-OD2 3.37Å; K248-D385 VanDerWaalsContact NZ-CG 3.32Å; K248-D385 IonicContact NZ-OD1 3.63Å; K248-D385 PolarHBondContact NZ-OD1 2.8Å; K248-D385 IonicContact NZ-OD2 2.74Å; K248-D385 PolarHBondContact NZ-OD2 3.02Å
249	A	97.4	Very high	96.8	Very high	61 Å²	61	72.8 Å²	72.8	50%	0.504	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.2	0	0	0	0	0	111.9	D245 L246 E252	D245-A249 PolarHBondContact O-N 3.5Å; L246-A249 PolarHBondContact O-N 3.14Å; A249-E252 PolarHBondContact O-N 3.12Å
250	D	96.8	Very high	96.9	Very high	59 Å²	59	73.5 Å²	73.5	32%	0.316	39%	0.394	S	S	.	.	H	α-helix	trans	-57.6	-50.7	172.5	-176.8	26.8	0	0	0	110.6	L246 A247 E252 T253 I337 R339	L246-D250 WeakPolarHBondContact O-CB 3.48Å; L246-D250 PolarHBondContact O-N 3.41Å; A247-D250 PolarHBondContact O-N 3.4Å; D250-E252 PolarHBondContact O-N 3.32Å; D250-E252 VanDerWaalsContact O-N 3.14Å; D250-T253 PolarHBondContact O-N 2.74Å; D250-T253 PolarHBondContact O-OG1 2.83Å; D250-I337 HydrophobicContact CB-CD1 4.48Å; D250-R339 IonicContact OD2-CZ 3.78Å; D250-R339 IonicContact OD2-NH2 3.93Å; D250-R339 PolarHBondContact OD2-NH2 2.86Å
251	A	97.8	Very high	97.2	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-54.7	-36.7	-179.6	0	0	0	0	0	113.1	A247 K248 T253 L254 R334 I337 L384	A247-A251 WeakPolarHBondContact O-CB 3.44Å; A247-A251 PolarHBondContact O-N 3.21Å; K248-A251 WeakPolarHBondContact O-CB 3.2Å; K248-A251 PolarHBondContact O-N 2.85Å; A251-T253 PolarHBondContact O-N 2.94Å; A251-L254 PolarHBondContact O-N 3.37Å; A251-R334 HydrophobicContact CB-CB 4.37Å; A251-R334 VanDerWaalsContact O-CD 3.22Å; A251-R334 WeakPolarHBondContact O-CD 3.23Å; A251-R334 PolarHBondContact O-NE 3.2Å; A251-R334 PolarHBondContact O-NH1 3.33Å; A251-I337 HydrophobicContact CB-CD1 3.92Å; A251-I337 HydrophobicContact CB-CG1 3.84Å; A251-L384 HydrophobicContact CB-CD1 3.89Å
252	E	97.9	Very high	97.5	Very high	121 Å²	121	66.9 Å²	66.9	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-64.2	-27.6	178.7	-71.7	-54.7	153.1	0	0	114	K248 A249 D250 L254 R334	K248-E252 PolarHBondContact O-N 3.17Å; K248-E252 VanDerWaalsContact O-N 3.14Å; A249-E252 PolarHBondContact O-N 3.12Å; D250-E252 PolarHBondContact O-N 3.32Å; D250-E252 VanDerWaalsContact O-N 3.14Å; E252-L254 VanDerWaalsContact C-N 3.34Å; E252-R334 PolarHBondContact O-NH2 2.93Å; E252-R334 VanDerWaalsContact O-NH2 3.13Å; E252-R334 WeakPolarHBondContact OE1-CD 3.42Å; E252-R334 IonicContact OE1-NE 2.63Å; E252-R334 IonicContact OE2-CZ 2.71Å; E252-R334 IonicContact OE2-NE 3.29Å; E252-R334 PolarHBondContact OE2-NE 2.78Å; E252-R334 IonicContact OE2-NH2 3.12Å
253	T	97.8	Very high	97.7	Very high	111 Å²	111	62.1 Å²	62.1	68%	0.681	34%	0.337	S	S	*	.	H	α-helix	trans	-80.3	-17.7	178.1	73	0	0	0	0	113.2	D250 A251	D250-T253 PolarHBondContact O-N 2.74Å; D250-T253 PolarHBondContact O-OG1 2.83Å; A251-T253 PolarHBondContact O-N 2.94Å
254	L	98.3	Very high	97.9	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.12	32%	0.317	C	S	.	.	S	Bend	trans	-82.4	150.6	-172.7	-61.4	179.3	0	0	0	112.5	A251 E252 A325 A327 R334 I337	A251-L254 PolarHBondContact O-N 3.37Å; E252-L254 VanDerWaalsContact C-N 3.34Å; L254-A325 HydrophobicContact CD1-CB 3.83Å; L254-A325 HydrophobicContact CD2-CB 3.92Å; L254-A327 HydrophobicContact CB-CB 4.4Å; L254-R334 PolarHBondContact O-NH1 3.45Å; L254-R334 PolarHBondContact O-NH2 3.44Å; L254-I337 HydrophobicContact CD1-CB 4.41Å; L254-I337 HydrophobicContact CD1-CD1 4.22Å; L254-I337 HydrophobicContact CD1-CG1 4.11Å; L254-I337 HydrophobicContact CD1-CG2 3.51Å
255	P	98.2	Very high	98	Very high	52 Å²	52	56.5 Å²	56.5	34%	0.338	31%	0.312	S	S	.	.			trans	-61	150.6	164.3	29.9	-35.3	0	0	0	109.9	L320 V323 M326 A327	P255-L320 HydrophobicContact CB-CD2 3.76Å; P255-L320 HydrophobicContact CG-CD2 4.07Å; P255-V323 HydrophobicContact CG-CB 4.4Å; P255-V323 HydrophobicContact CG-CG1 4.12Å; P255-V323 HydrophobicContact CG-CG2 4.46Å; P255-M326 CarbonylContact O-C 3.57Å; P255-M326 VanDerWaalsContact O-CA 3.31Å; P255-M326 WeakPolarHBondContact O-CA 3.35Å; P255-A327 PolarHBondContact O-N 3Å
256	A	97.8	Very high	98.1	Very high	27 Å²	27	50.7 Å²	50.7	22%	0.223	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.9	-172.9	0	0	0	0	0	113	R319 A327 V329	A256-R319 PolarHBondContact O-NH1 3.14Å; A256-R319 PolarHBondContact O-NH2 3.13Å; A256-A327 CarbonylContact C-O 3.55Å; A256-A327 VanDerWaalsContact CA-O 3.28Å; A256-A327 WeakPolarHBondContact CA-O 3.45Å; A256-V329 HydrophobicContact CB-CG2 3.68Å
257	V	97.9	Very high	98.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	165.3	63.4	0	0	0	0	109.3	I259 V312 L320 M326 A327 L328 V329	V257-I259 HydrophobicContact CG1-CG2 4.48Å; V257-V312 HydrophobicContact CG2-CG1 4.22Å; V257-L320 HydrophobicContact CB-CD1 3.92Å; V257-L320 HydrophobicContact CG2-CD1 4.39Å; V257-M326 HydrophobicContact CG1-SD 4.11Å; V257-A327 PolarHBondContact N-O 3.23Å; V257-L328 HydrophobicContact CG1-CD2 3.37Å; V257-V329 PolarHBondContact O-N 2.79Å
258	Q	98.4	Very high	98.3	Very high	135 Å²	135	44.1 Å²	44.1	63%	0.631	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	135.1	177	-64.9	-64.1	-32.8	0	0	109.3	V329	Q258-V329 PolarHBondContact OE1-O 3.27Å
259	I	98.6	Very high	98.3	Very high	14 Å²	14	41 Å²	41	7%	0.072	23%	0.231	C	C	.	.			trans	-120.2	149.8	179	68	164.9	0	0	0	111	V257 D263 M264 V267 L310 L328 V329 V335	V257-I259 HydrophobicContact CG1-CG2 4.48Å; I259-D263 HydrophobicContact CB-CB 3.81Å; I259-D263 HydrophobicContact CD1-CB 4.26Å; I259-D263 HydrophobicContact CG1-CB 4.47Å; I259-D263 HydrophobicContact CG2-CB 4.48Å; I259-M264 HydrophobicContact CD1-CB 4.39Å; I259-M264 HydrophobicContact CD1-SD 4.26Å; I259-V267 HydrophobicContact CD1-CG2 4.02Å; I259-L310 HydrophobicContact CG2-CD1 3.97Å; I259-L328 HydrophobicContact CD1-CB 4.2Å; I259-L328 HydrophobicContact CG2-CB 4.28Å; I259-L328 HydrophobicContact CG2-CD2 4.37Å; I259-V329 WeakPolarHBondContact CG1-O 3.17Å; I259-V329 PolarHBondContact N-O 2.94Å; I259-V335 HydrophobicContact CD1-CG2 4.15Å
260	G	98.4	Very high	98.4	Very high	34 Å²	34	38.3 Å²	38.3	35%	0.351	21%	0.208	S	C	.	.			trans	-82	177.7	177.1	0	0	0	0	0	113	L262 D263 M264	G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.33Å; G260-D263 PolarHBondContact N-OD2 3.11Å; G260-D263 PolarHBondContact O-N 2.87Å; G260-M264 PolarHBondContact O-N 3.01Å
261	K	98.6	Very high	98.5	Very high	121 Å²	121	35.5 Å²	35.5	53%	0.526	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-37	175.4	-174.1	174	-178.7	178.9	0	112.4	M264 Q265 Y330 W389	K261-M264 PolarHBondContact O-N 2.99Å; K261-Q265 WeakPolarHBondContact O-CG 3.41Å; K261-Q265 PolarHBondContact O-N 2.72Å; K261-Q265 VanDerWaalsContact O-N 3.09Å; K261-Y330 HydrophobicContact CB-CE2 4.14Å; K261-W389 HydrophobicContact CD-CZ3 4.23Å; K261-W389 HydrophobicContact CG-CH2 4.02Å; K261-W389 HydrophobicContact CG-CZ3 3.85Å
262	L	98.6	Very high	98.5	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.188	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-46	177.1	-177.3	69.6	0	0	0	110.9	G260 M264 Q265 W266 Y365 M368 W457 P494	G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.33Å; L262-M264 VanDerWaalsContact C-N 3.34Å; L262-M264 PolarHBondContact O-N 2.8Å; L262-Q265 WeakPolarHBondContact O-CB 3.31Å; L262-Q265 PolarHBondContact O-N 2.92Å; L262-W266 PolarHBondContact O-N 2.89Å; L262-Y365 HydrophobicContact CD1-CE2 4.08Å; L262-Y365 HydrophobicContact CD2-CE2 4.49Å; L262-M368 HydrophobicContact CD1-CE 4.41Å; L262-M368 HydrophobicContact CD2-CE 4.03Å; L262-M368 HydrophobicContact CD2-SD 4.06Å; L262-W457 HydrophobicContact CD1-CB 3.74Å; L262-W457 HydrophobicContact CD1-CG 4.22Å; L262-P494 HydrophobicContact CD1-CB 3.57Å; L262-P494 HydrophobicContact CD1-CG 3.58Å
263	D	98.8	Very high	98.6	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-41.2	177.7	-52.1	-47.6	0	0	0	110.9	I259 G260 Q265 W266 V267 L310	I259-D263 HydrophobicContact CB-CB 3.81Å; I259-D263 HydrophobicContact CD1-CB 4.26Å; I259-D263 HydrophobicContact CG1-CB 4.47Å; I259-D263 HydrophobicContact CG2-CB 4.48Å; G260-D263 PolarHBondContact N-OD2 3.11Å; G260-D263 PolarHBondContact O-N 2.87Å; D263-Q265 VanDerWaalsContact C-N 3.25Å; D263-Q265 PolarHBondContact O-N 2.92Å; D263-W266 CarbonylContact O-C 3.58Å; D263-W266 WeakPolarHBondContact O-CA 3.49Å; D263-W266 WeakPolarHBondContact O-CB 3.32Å; D263-W266 PolarHBondContact O-N 3.17Å; D263-V267 WeakPolarHBondContact O-CG2 3.21Å; D263-V267 PolarHBondContact O-N 2.86Å; D263-L310 HydrophobicContact CB-CD1 4.18Å
264	M	98.8	Very high	98.6	Very high	12 Å²	12	24.6 Å²	24.6	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-34.5	175.8	-172.2	64.6	-164	0	0	112.6	I259 G260 K261 L262 V267 Q268 Y330 V335 I387 W389	I259-M264 HydrophobicContact CD1-CB 4.39Å; I259-M264 HydrophobicContact CD1-SD 4.26Å; G260-M264 PolarHBondContact O-N 3.01Å; K261-M264 PolarHBondContact O-N 2.99Å; L262-M264 VanDerWaalsContact C-N 3.34Å; L262-M264 PolarHBondContact O-N 2.8Å; M264-V267 PolarHBondContact O-N 3.41Å; M264-V267 HydrophobicContact SD-CB 4.48Å; M264-Q268 PolarHBondContact O-N 3.39Å; M264-Y330 HydrophobicContact CB-CD1 4.15Å; M264-Y330 HydrophobicContact CB-CD2 4.03Å; M264-Y330 HydrophobicContact CB-CE1 4.32Å; M264-Y330 HydrophobicContact CB-CE2 4.23Å; M264-Y330 HydrophobicContact CB-CG 4Å; M264-Y330 HydrophobicContact CG-CD1 3.62Å; M264-Y330 HydrophobicContact CG-CD2 4.4Å; M264-Y330 HydrophobicContact CG-CE1 3.9Å; M264-Y330 HydrophobicContact CG-CG 3.9Å; M264-Y330 HydrophobicContact SD-CD1 3.93Å; M264-Y330 HydrophobicContact SD-CG 4.02Å; M264-V335 HydrophobicContact CE-CB 4.13Å; M264-V335 HydrophobicContact CE-CG1 4.02Å; M264-V335 HydrophobicContact CE-CG2 4.43Å; M264-V335 HydrophobicContact SD-CB 4.14Å; M264-V335 HydrophobicContact SD-CG1 4.12Å; M264-V335 HydrophobicContact SD-CG2 3.81Å; M264-I387 HydrophobicContact CE-CB 4.26Å; M264-I387 HydrophobicContact CE-CD1 3.55Å; M264-I387 HydrophobicContact CE-CG1 3.49Å; M264-I387 VanDerWaalsContact CE-CG1 3.49Å; M264-I387 HydrophobicContact CE-CG2 3.79Å; M264-W389 HydrophobicContact CB-CH2 4.29Å; M264-W389 HydrophobicContact CG-CH2 4.09Å
265	Q	98.9	Very high	98.6	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-39.1	172.8	-68.7	165.9	-13.6	0	0	111.4	K261 L262 D263 Q268 V269 W389 P494	K261-Q265 WeakPolarHBondContact O-CG 3.41Å; K261-Q265 PolarHBondContact O-N 2.72Å; K261-Q265 VanDerWaalsContact O-N 3.09Å; L262-Q265 WeakPolarHBondContact O-CB 3.31Å; L262-Q265 PolarHBondContact O-N 2.92Å; D263-Q265 VanDerWaalsContact C-N 3.25Å; D263-Q265 PolarHBondContact O-N 2.92Å; Q265-Q268 WeakPolarHBondContact O-CB 3.48Å; Q265-Q268 PolarHBondContact O-N 3.45Å; Q265-V269 WeakPolarHBondContact O-CG2 3.22Å; Q265-V269 PolarHBondContact O-N 3.22Å; Q265-W389 HydrophobicContact CB-CZ2 4.45Å; Q265-W389 HydrophobicContact CG-CH2 3.58Å; Q265-W389 HydrophobicContact CG-CZ2 3.47Å; Q265-W389 VanDerWaalsContact CG-CZ2 3.47Å; Q265-P494 HydrophobicContact CB-CG 3.83Å
266	W	98.9	Very high	98.6	Very high	8 Å²	8	21.2 Å²	21.2	3%	0.03	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-35.8	172.5	-74.1	118.7	0	0	0	112.9	L262 D263 Q268 V269 L270 F281 I308 Y365 P494 M496 W505	L262-W266 PolarHBondContact O-N 2.89Å; D263-W266 CarbonylContact O-C 3.58Å; D263-W266 WeakPolarHBondContact O-CA 3.49Å; D263-W266 WeakPolarHBondContact O-CB 3.32Å; D263-W266 PolarHBondContact O-N 3.17Å; W266-Q268 VanDerWaalsContact C-N 3.28Å; W266-Q268 PolarHBondContact O-N 2.59Å; W266-V269 HydrophobicContact CE3-CB 4Å; W266-V269 HydrophobicContact CE3-CG1 3.97Å; W266-V269 HydrophobicContact CE3-CG2 4.02Å; W266-V269 HydrophobicContact CZ3-CB 4.45Å; W266-V269 HydrophobicContact CZ3-CG1 4.04Å; W266-V269 HydrophobicContact CZ3-CG2 4.28Å; W266-V269 WeakPolarHBondContact O-CB 3.32Å; W266-V269 PolarHBondContact O-N 2.93Å; W266-L270 WeakPolarHBondContact O-CG 3.37Å; W266-L270 PolarHBondContact O-N 2.97Å; W266-F281 HydrophobicContact CB-CE1 4.08Å; W266-I308 HydrophobicContact CD2-CG2 4.5Å; W266-I308 HydrophobicContact CE3-CG1 4.15Å; W266-I308 HydrophobicContact CE3-CG2 3.96Å; W266-I308 HydrophobicContact CZ3-CD1 4.19Å; W266-I308 HydrophobicContact CZ3-CG1 3.91Å; W266-Y365 PolarHBondContact NE1-OH 3.18Å; W266-P494 HydrophobicContact CD2-CG 4.13Å; W266-P494 HydrophobicContact CG-CG 4.34Å; W266-P494 HydrophobicContact CZ2-CB 4.06Å; W266-P494 HydrophobicContact CZ2-CG 4.01Å; W266-M496 HydrophobicContact CH2-CE 3.86Å; W266-M496 HydrophobicContact CH2-SD 4.16Å; W266-M496 HydrophobicContact CZ2-CE 4.2Å; W266-M496 HydrophobicContact CZ2-SD 4.06Å; W266-W505 HydrophobicContact CZ3-CZ2 4.14Å
267	V	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.1	-43.7	169.7	175.3	0	0	0	0	109.6	I259 D263 M264 L270 A271 F281 L328 A336 L381 V383 I387	I259-V267 HydrophobicContact CD1-CG2 4.02Å; D263-V267 WeakPolarHBondContact O-CG2 3.21Å; D263-V267 PolarHBondContact O-N 2.86Å; M264-V267 PolarHBondContact O-N 3.41Å; M264-V267 HydrophobicContact SD-CB 4.48Å; V267-L270 PolarHBondContact O-N 3.35Å; V267-A271 VanDerWaalsContact O-CB 3.24Å; V267-A271 WeakPolarHBondContact O-CB 3.42Å; V267-A271 PolarHBondContact O-N 3.1Å; V267-F281 HydrophobicContact CG2-CE2 4.09Å; V267-F281 HydrophobicContact CG2-CZ 3.81Å; V267-L328 HydrophobicContact CG2-CD1 4.03Å; V267-A336 HydrophobicContact CG1-CB 4.43Å; V267-L381 HydrophobicContact CG1-CD2 4.42Å; V267-V383 HydrophobicContact CG1-CG1 4.09Å; V267-V383 HydrophobicContact CG1-CG2 3.77Å; V267-I387 HydrophobicContact CG1-CD1 3.99Å
268	Q	98.9	Very high	98.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-44.7	175.2	-172.5	176.4	10.3	0	0	113.1	M264 Q265 W266 L270 A271 E272 I387 P492	M264-Q268 PolarHBondContact O-N 3.39Å; Q265-Q268 WeakPolarHBondContact O-CB 3.48Å; Q265-Q268 PolarHBondContact O-N 3.45Å; W266-Q268 VanDerWaalsContact C-N 3.28Å; W266-Q268 PolarHBondContact O-N 2.59Å; Q268-L270 VanDerWaalsContact C-N 3.26Å; Q268-L270 PolarHBondContact O-N 3.38Å; Q268-A271 PolarHBondContact O-N 2.86Å; Q268-E272 HydrophobicContact CG-CG 4.27Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.47Å; Q268-E272 PolarHBondContact NE2-OE1 3.05Å; Q268-E272 WeakPolarHBondContact O-CG 3.46Å; Q268-E272 PolarHBondContact O-N 2.96Å; Q268-E272 VanDerWaalsContact O-N 3.07Å; Q268-I387 HydrophobicContact CB-CB 4.44Å; Q268-I387 HydrophobicContact CB-CD1 3.73Å; Q268-I387 HydrophobicContact CB-CG2 4.21Å; Q268-I387 HydrophobicContact CG-CB 4.21Å; Q268-I387 HydrophobicContact CG-CD1 4.24Å; Q268-I387 HydrophobicContact CG-CG2 4.2Å; Q268-P492 HydrophobicContact CB-CB 4.48Å; Q268-P492 HydrophobicContact CG-CB 3.96Å; Q268-P492 HydrophobicContact CG-CG 4.28Å
269	V	98.9	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.1	-45.1	176	168.3	0	0	0	0	111.1	Q265 W266 W274 A275 I308 P492 W505	Q265-V269 WeakPolarHBondContact O-CG2 3.22Å; Q265-V269 PolarHBondContact O-N 3.22Å; W266-V269 HydrophobicContact CE3-CB 4Å; W266-V269 HydrophobicContact CE3-CG1 3.97Å; W266-V269 HydrophobicContact CE3-CG2 4.02Å; W266-V269 HydrophobicContact CZ3-CB 4.45Å; W266-V269 HydrophobicContact CZ3-CG1 4.04Å; W266-V269 HydrophobicContact CZ3-CG2 4.28Å; W266-V269 WeakPolarHBondContact O-CB 3.32Å; W266-V269 PolarHBondContact O-N 2.93Å; V269-W274 HydrophobicContact CG1-CB 3.93Å; V269-W274 WeakPolarHBondContact O-CB 3.1Å; V269-W274 PolarHBondContact O-N 3.48Å; V269-W274 VanDerWaalsContact O-N 3.15Å; V269-A275 HydrophobicContact CG1-CB 4.42Å; V269-I308 HydrophobicContact CG1-CD1 4.49Å; V269-P492 HydrophobicContact CG2-CG 4.27Å; V269-W505 HydrophobicContact CG1-CH2 3.52Å; V269-W505 HydrophobicContact CG1-CZ2 3.54Å
270	L	98.9	Very high	98.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-69.3	-47.5	177.6	-74.8	170	0	0	0	111.8	L237 W266 V267 Q268 E272 G273 A275 L278 G280 F281 I308 L381	L237-L270 HydrophobicContact CD1-CB 4.12Å; W266-L270 WeakPolarHBondContact O-CG 3.37Å; W266-L270 PolarHBondContact O-N 2.97Å; V267-L270 PolarHBondContact O-N 3.35Å; Q268-L270 VanDerWaalsContact C-N 3.26Å; Q268-L270 PolarHBondContact O-N 3.38Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.4Å; L270-G273 PolarHBondContact O-N 3.24Å; L270-A275 HydrophobicContact CD2-CB 4.04Å; L270-L278 HydrophobicContact CD2-CB 4.15Å; L270-L278 HydrophobicContact CD2-CD1 4.07Å; L270-G280 WeakPolarHBondContact CD2-O 3.49Å; L270-F281 HydrophobicContact CD1-CD1 3.72Å; L270-F281 HydrophobicContact CD1-CD2 4.2Å; L270-F281 HydrophobicContact CD1-CE1 3.74Å; L270-F281 HydrophobicContact CD1-CE2 4.2Å; L270-F281 HydrophobicContact CD1-CG 3.97Å; L270-F281 HydrophobicContact CD1-CZ 3.99Å; L270-I308 HydrophobicContact CD1-CG2 3.88Å; L270-I308 HydrophobicContact CD2-CG2 3.93Å; L270-I308 HydrophobicContact CG-CG2 3.86Å; L270-L381 HydrophobicContact CB-CD2 3.97Å; L270-L381 HydrophobicContact CD1-CD2 3.79Å
271	A	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.7	-45.3	-177	0	0	0	0	0	112.5	E236 L237 Y238 V267 Q268 G273 V383 I387	E236-A271 CarbonylContact C-O 3.58Å; E236-A271 VanDerWaalsContact CA-O 3.27Å; E236-A271 WeakPolarHBondContact CA-O 3.38Å; E236-A271 WeakPolarHBondContact CB-O 3.45Å; L237-A271 PolarHBondContact N-O 3.47Å; Y238-A271 HydrophobicContact CD1-CB 4.16Å; Y238-A271 HydrophobicContact CD2-CB 4.22Å; Y238-A271 HydrophobicContact CE1-CB 3.64Å; Y238-A271 HydrophobicContact CE2-CB 3.73Å; Y238-A271 HydrophobicContact CG-CB 4.42Å; Y238-A271 VanDerWaalsContact CZ-CB 3.42Å; V267-A271 VanDerWaalsContact O-CB 3.24Å; V267-A271 WeakPolarHBondContact O-CB 3.42Å; V267-A271 PolarHBondContact O-N 3.1Å; Q268-A271 PolarHBondContact O-N 2.86Å; A271-G273 VanDerWaalsContact C-N 3.26Å; A271-G273 PolarHBondContact O-N 3.46Å; A271-V383 HydrophobicContact CB-CB 3.91Å; A271-V383 HydrophobicContact CB-CG1 3.95Å; A271-V383 HydrophobicContact CB-CG2 3.72Å; A271-I387 HydrophobicContact CB-CD1 4.32Å
272	E	98.9	Very high	98.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.7	-177.1	-62.1	175.7	-178.1	0	0	112.9	Y238 Q268 L270 W274 T399 P400	Y238-E272 HydrophobicContact CE2-CG 4Å; Q268-E272 HydrophobicContact CG-CG 4.27Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.47Å; Q268-E272 PolarHBondContact NE2-OE1 3.05Å; Q268-E272 WeakPolarHBondContact O-CG 3.46Å; Q268-E272 PolarHBondContact O-N 2.96Å; Q268-E272 VanDerWaalsContact O-N 3.07Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.4Å; E272-W274 PolarHBondContact OE2-NE1 2.75Å; E272-T399 HydrophobicContact CB-CG2 4.22Å; E272-T399 HydrophobicContact CG-CG2 3.78Å; E272-P400 WeakPolarHBondContact O-CD 3.41Å; E272-P400 WeakPolarHBondContact O-CG 3.41Å
273	G	98.6	Very high	98.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	14.6	174.7	0	0	0	0	0	115.4	K235 L270 A271 A275 T276	K235-G273 WeakPolarHBondContact O-CA 3.18Å; L270-G273 PolarHBondContact O-N 3.24Å; A271-G273 VanDerWaalsContact C-N 3.26Å; A271-G273 PolarHBondContact O-N 3.46Å; G273-A275 PolarHBondContact O-N 2.91Å; G273-A275 VanDerWaalsContact O-N 3.14Å; G273-T276 VanDerWaalsContact O-CB 3.28Å; G273-T276 WeakPolarHBondContact O-CB 3.43Å; G273-T276 PolarHBondContact O-N 2.68Å; G273-T276 PolarHBondContact O-OG1 3.03Å
274	W	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.5	174.9	-65.3	99	0	0	0	113.2	V269 E272 P400 L403 H452 F491 W505 R508 A509 A513	V269-W274 HydrophobicContact CG1-CB 3.93Å; V269-W274 WeakPolarHBondContact O-CB 3.1Å; V269-W274 PolarHBondContact O-N 3.48Å; V269-W274 VanDerWaalsContact O-N 3.15Å; E272-W274 PolarHBondContact OE2-NE1 2.75Å; W274-P400 HydrophobicContact CD2-CG 3.62Å; W274-P400 HydrophobicContact CE3-CG 3.81Å; W274-P400 HydrophobicContact CG-CG 4.12Å; W274-P400 HydrophobicContact CH2-CG 4.1Å; W274-P400 HydrophobicContact CZ2-CG 3.93Å; W274-P400 HydrophobicContact CZ3-CG 4.06Å; W274-L403 HydrophobicContact CH2-CD1 3.67Å; W274-L403 HydrophobicContact CZ2-CD1 4.42Å; W274-H452 AromaticContact CH2-CE1 3.56Å; W274-H452 AromaticContact CH2-NE2 3.85Å; W274-F491 HydrophobicContact CB-CE2 4.5Å; W274-F491 HydrophobicContact CD2-CD2 4.01Å; W274-F491 AromaticContact CD2-CE2 3.79Å; W274-F491 HydrophobicContact CD2-CE2 3.79Å; W274-F491 AromaticContact CE3-CD2 3.94Å; W274-F491 HydrophobicContact CE3-CD2 3.94Å; W274-F491 AromaticContact CE3-CE2 3.72Å; W274-F491 HydrophobicContact CE3-CE2 3.72Å; W274-F491 HydrophobicContact CG-CE2 4.16Å; W274-F491 HydrophobicContact CH2-CD2 4.21Å; W274-F491 HydrophobicContact CZ2-CD2 4.28Å; W274-F491 HydrophobicContact CZ3-CD2 4.02Å; W274-F491 HydrophobicContact CZ3-CE2 4.23Å; W274-W505 HydrophobicContact CB-CH2 3.95Å; W274-R508 PolarHBondContact O-NH1 3.35Å; W274-A509 HydrophobicContact CE3-CB 3.97Å; W274-A509 WeakPolarHBondContact CZ3-O 3.25Å; W274-A513 HydrophobicContact CH2-CB 4.14Å; W274-A513 HydrophobicContact CZ3-CB 3.71Å
275	A	98.7	Very high	98.7	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.017	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	16.6	179.1	0	0	0	0	0	114	V269 L270 G273 L278 I308 W505	V269-A275 HydrophobicContact CG1-CB 4.42Å; L270-A275 HydrophobicContact CD2-CB 4.04Å; G273-A275 PolarHBondContact O-N 2.91Å; G273-A275 VanDerWaalsContact O-N 3.14Å; A275-L278 HydrophobicContact CB-CD1 4.03Å; A275-L278 WeakPolarHBondContact O-CB 3.34Å; A275-L278 PolarHBondContact O-N 2.91Å; A275-L278 VanDerWaalsContact O-N 3.1Å; A275-I308 HydrophobicContact CB-CD1 3.4Å; A275-W505 HydrophobicContact CB-CH2 4.16Å; A275-W505 HydrophobicContact CB-CZ3 4.22Å
276	T	98.4	Very high	98.7	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.2	131.2	172.5	-72.6	0	0	0	0	111.2	S231 E233 K235 G273 R508	S231-T276 WeakPolarHBondContact O-CG2 3.49Å; E233-T276 WeakPolarHBondContact O-CG2 3.32Å; K235-T276 HydrophobicContact CB-CG2 4.37Å; K235-T276 PolarHBondContact N-OG1 3.01Å; G273-T276 VanDerWaalsContact O-CB 3.28Å; G273-T276 WeakPolarHBondContact O-CB 3.43Å; G273-T276 PolarHBondContact O-N 2.68Å; G273-T276 PolarHBondContact O-OG1 3.03Å; T276-R508 VanDerWaalsContact O-CZ 3.3Å; T276-R508 PolarHBondContact O-NH1 2.91Å; T276-R508 PolarHBondContact O-NH2 3.38Å
277	P	98.1	Very high	98.7	Very high	33 Å²	33	21.7 Å²	21.7	21%	0.214	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.9	20.7	12.1	39.4	-36.6	0	0	0	114.8	A230 N279 I302	A230-P277 HydrophobicContact CB-CG 4.45Å; P277-N279 PolarHBondContact O-N 3.07Å; P277-I302 HydrophobicContact CG-CG1 4.36Å
278	L	98.4	Very high	98.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	12%	0.117	C	C	.	.			trans	-50.8	136.7	-179.9	-75.7	-176.8	0	0	0	111.8	L270 A275 G280 M282 E286 L296 L304 I308	L270-L278 HydrophobicContact CD2-CB 4.15Å; L270-L278 HydrophobicContact CD2-CD1 4.07Å; A275-L278 HydrophobicContact CB-CD1 4.03Å; A275-L278 WeakPolarHBondContact O-CB 3.34Å; A275-L278 PolarHBondContact O-N 2.91Å; A275-L278 VanDerWaalsContact O-N 3.1Å; L278-G280 VanDerWaalsContact C-N 3.31Å; L278-M282 HydrophobicContact CD1-CE 4.19Å; L278-M282 HydrophobicContact CD1-CG 4.05Å; L278-M282 HydrophobicContact CD2-CG 4.11Å; L278-E286 HydrophobicContact CD2-CG 4.49Å; L278-E286 WeakPolarHBondContact CD2-OE1 3.22Å; L278-L296 HydrophobicContact CD2-CD1 3.68Å; L278-L296 HydrophobicContact CG-CD1 4.29Å; L278-L304 HydrophobicContact CD1-CD1 3.74Å; L278-L304 HydrophobicContact CD2-CD1 4.33Å; L278-L304 HydrophobicContact CG-CD1 3.75Å; L278-I308 HydrophobicContact CD1-CB 4.24Å; L278-I308 HydrophobicContact CD1-CD1 4.15Å
279	N	98.4	Very high	98.7	Very high	66 Å²	66	25.8 Å²	25.8	35%	0.353	12%	0.12	S	C	.	.			trans	-84.8	-6.6	175.9	-65.6	-53.5	0	0	0	113.1	K235 P277 D380 L381	K235-N279 WeakPolarHBondContact CE-OD1 3.34Å; K235-N279 PolarHBondContact NZ-OD1 3.34Å; P277-N279 PolarHBondContact O-N 3.07Å; N279-D380 CarbonylContact O-C 3.27Å; N279-L381 PolarHBondContact O-N 2.93Å
280	G	98.8	Very high	98.7	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	165	-150.9	-177.5	0	0	0	0	0	110.8	L270 L278 G379 L381	L270-G280 WeakPolarHBondContact CD2-O 3.49Å; L278-G280 VanDerWaalsContact C-N 3.31Å; G280-G379 WeakPolarHBondContact CA-O 3.24Å; G280-L381 VanDerWaalsContact CA-CB 3.45Å
281	F	98.9	Very high	98.7	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	12%	0.124	C	C	.	.	S	Bend	trans	-65.6	139	171.9	-69.8	-73.5	0	0	0	109.9	W266 V267 L270 R283 I308 V309 L310 L328 L338 G378 G379 L381	W266-F281 HydrophobicContact CB-CE1 4.08Å; V267-F281 HydrophobicContact CG2-CE2 4.09Å; V267-F281 HydrophobicContact CG2-CZ 3.81Å; L270-F281 HydrophobicContact CD1-CD1 3.72Å; L270-F281 HydrophobicContact CD1-CD2 4.2Å; L270-F281 HydrophobicContact CD1-CE1 3.74Å; L270-F281 HydrophobicContact CD1-CE2 4.2Å; L270-F281 HydrophobicContact CD1-CG 3.97Å; L270-F281 HydrophobicContact CD1-CZ 3.99Å; F281-R283 PolarHBondContact O-N 3.37Å; F281-I308 HydrophobicContact CD1-CG2 4.34Å; F281-V309 VanDerWaalsContact CD1-C 3.45Å; F281-L310 HydrophobicContact CB-CB 4.39Å; F281-L310 HydrophobicContact CD1-CB 3.93Å; F281-L310 HydrophobicContact CD2-CB 3.86Å; F281-L310 HydrophobicContact CD2-CD2 4.27Å; F281-L310 HydrophobicContact CE1-CB 4.1Å; F281-L310 HydrophobicContact CE2-CB 4.05Å; F281-L310 HydrophobicContact CE2-CD2 4.14Å; F281-L310 HydrophobicContact CG-CB 3.79Å; F281-L310 HydrophobicContact CZ-CB 4.16Å; F281-L310 HydrophobicContact CZ-CD1 4.48Å; F281-L328 HydrophobicContact CE2-CD1 3.86Å; F281-L338 HydrophobicContact CD2-CD1 4.32Å; F281-G378 VanDerWaalsContact O-CA 3.3Å; F281-G378 WeakPolarHBondContact O-CA 3.14Å; F281-G379 PolarHBondContact O-N 3.21Å; F281-G379 VanDerWaalsContact O-N 3.08Å; F281-L381 HydrophobicContact CD2-CD1 4.41Å; F281-L381 HydrophobicContact CD2-CD2 4.49Å; F281-L381 HydrophobicContact CE2-CD1 4.26Å; F281-L381 HydrophobicContact CE2-CD2 4.2Å
282	M	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-54.3	134.1	-174.4	-72.3	175.2	170.1	0	0	111.7	L278 E286 F287 C290 L304 I308 V309 Y344 G378	L278-M282 HydrophobicContact CD1-CE 4.19Å; L278-M282 HydrophobicContact CD1-CG 4.05Å; L278-M282 HydrophobicContact CD2-CG 4.11Å; M282-E286 WeakPolarHBondContact CA-OE2 3.34Å; M282-E286 HydrophobicContact CB-CB 3.97Å; M282-E286 HydrophobicContact CG-CB 3.96Å; M282-F287 HydrophobicContact CB-CB 4.31Å; M282-C290 HydrophobicContact CE-CB 3.78Å; M282-C290 HydrophobicContact SD-CB 4.09Å; M282-L304 HydrophobicContact CE-CD1 4.11Å; M282-L304 HydrophobicContact CE-CD2 3.3Å; M282-L304 HydrophobicContact CE-CG 4.25Å; M282-I308 PolarHBondContact N-O 3.4Å; M282-V309 HydrophobicContact CB-CG1 4.11Å; M282-V309 HydrophobicContact SD-CG1 4.45Å; M282-Y344 PolarHBondContact O-OH 2.99Å; M282-G378 WeakPolarHBondContact O-CA 3.36Å
283	R	98.9	Very high	98.7	Very high	60 Å²	60	36.2 Å²	36.2	23%	0.226	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-73.2	168.8	161.9	-63.7	-178.9	-179.8	-76.3	-3.8	110.1	F281 R285 E286 F287 N340 E342 D380	F281-R283 PolarHBondContact O-N 3.37Å; R283-R285 PolarHBondContact O-N 3.26Å; R283-E286 PolarHBondContact N-OE2 3.39Å; R283-E286 PolarHBondContact O-N 3.16Å; R283-E286 VanDerWaalsContact O-N 3.13Å; R283-F287 WeakPolarHBondContact O-CB 3.19Å; R283-F287 PolarHBondContact O-N 2.92Å; R283-N340 PolarHBondContact NH1-O 3.5Å; R283-N340 PolarHBondContact NH2-O 3.32Å; R283-E342 IonicContact NH1-OE2 2.78Å; R283-D380 IonicContact NH2-OD1 2.71Å; R283-D380 IonicContact NH2-OD2 3.33Å
284	E	98.8	Very high	98.7	Very high	84 Å²	84	38.3 Å²	38.3	39%	0.393	18%	0.178	S	C	.	.	H	α-helix	trans	-55.9	-42.2	-176.8	-173.5	175.5	-134.5	0	0	111.7	E286 F287 L288 Y344	E284-E286 PolarHBondContact O-N 2.96Å; E284-F287 PolarHBondContact O-N 2.71Å; E284-L288 HydrophobicContact CG-CD1 3.97Å; E284-L288 HydrophobicContact CG-CG 4.29Å; E284-L288 WeakPolarHBondContact O-CB 3.33Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.42Å; E284-L288 PolarHBondContact O-N 3.15Å; E284-Y344 HydrophobicContact CB-CD1 3.95Å; E284-Y344 HydrophobicContact CB-CD2 3.91Å; E284-Y344 HydrophobicContact CB-CE1 4.44Å; E284-Y344 HydrophobicContact CB-CE2 4.37Å; E284-Y344 HydrophobicContact CB-CG 3.68Å; E284-Y344 HydrophobicContact CG-CD2 3.87Å; E284-Y344 HydrophobicContact CG-CG 4.01Å
285	R	98.6	Very high	98.7	Very high	148 Å²	148	38.4 Å²	38.4	56%	0.558	18%	0.179	S	C	*	.	H	α-helix	trans	-58.2	-48.3	178.2	-177.9	174.9	176.6	83.2	2.3	112.6	R283 L288 Q289 D298	R283-R285 PolarHBondContact O-N 3.26Å; R285-L288 PolarHBondContact O-N 3.38Å; R285-Q289 VanDerWaalsContact O-CG 3.26Å; R285-Q289 WeakPolarHBondContact O-CG 3.1Å; R285-Q289 PolarHBondContact O-N 3.16Å; R285-D298 WeakPolarHBondContact CD-OD2 3.37Å; R285-D298 IonicContact CZ-OD1 3.79Å; R285-D298 VanDerWaalsContact CZ-OD1 3.3Å; R285-D298 IonicContact CZ-OD2 3.62Å; R285-D298 VanDerWaalsContact NE-CG 3.33Å; R285-D298 IonicContact NE-OD1 2.69Å; R285-D298 PolarHBondContact NE-OD1 3.43Å; R285-D298 VanDerWaalsContact NE-OD1 3.12Å; R285-D298 IonicContact NE-OD2 3.23Å; R285-D298 PolarHBondContact NE-OD2 3.08Å; R285-D298 IonicContact NH2-OD1 2.84Å; R285-D298 PolarHBondContact NH2-OD1 3.21Å; R285-D298 IonicContact NH2-OD2 3.03Å
286	E	98.8	Very high	98.6	Very high	36 Å²	36	38.9 Å²	38.9	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-40.2	-179.8	-64	165.8	135.7	0	0	110.8	L278 M282 R283 E284 Q289 C290 L296	L278-E286 HydrophobicContact CD2-CG 4.49Å; L278-E286 WeakPolarHBondContact CD2-OE1 3.22Å; M282-E286 WeakPolarHBondContact CA-OE2 3.34Å; M282-E286 HydrophobicContact CB-CB 3.97Å; M282-E286 HydrophobicContact CG-CB 3.96Å; R283-E286 PolarHBondContact N-OE2 3.39Å; R283-E286 PolarHBondContact O-N 3.16Å; R283-E286 VanDerWaalsContact O-N 3.13Å; E284-E286 PolarHBondContact O-N 2.96Å; E286-Q289 PolarHBondContact O-N 3.3Å; E286-C290 VanDerWaalsContact O-CB 3.23Å; E286-C290 WeakPolarHBondContact O-CB 3.34Å; E286-C290 PolarHBondContact O-N 3.21Å; E286-L296 HydrophobicContact CB-CD2 3.77Å; E286-L296 HydrophobicContact CG-CD2 4.15Å
287	F	98.9	Very high	98.4	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-46.3	175.8	171.7	-108.2	0	0	0	112.4	M282 R283 E284 C290 L291 P307 V309 Y344 R351 L376	M282-F287 HydrophobicContact CB-CB 4.31Å; R283-F287 WeakPolarHBondContact O-CB 3.19Å; R283-F287 PolarHBondContact O-N 2.92Å; E284-F287 PolarHBondContact O-N 2.71Å; F287-C290 PolarHBondContact O-N 3.32Å; F287-L291 HydrophobicContact CD1-CD1 4.29Å; F287-L291 HydrophobicContact CD2-CD1 4.32Å; F287-L291 HydrophobicContact CD2-CG 4.37Å; F287-L291 HydrophobicContact CE1-CD1 3.62Å; F287-L291 HydrophobicContact CE2-CD1 3.65Å; F287-L291 HydrophobicContact CE2-CG 4Å; F287-L291 HydrophobicContact CZ-CD1 3.27Å; F287-L291 HydrophobicContact CZ-CG 4.14Å; F287-L291 PolarHBondContact O-N 2.92Å; F287-P307 HydrophobicContact CD2-CB 3.88Å; F287-P307 HydrophobicContact CD2-CG 4.19Å; F287-P307 HydrophobicContact CE2-CB 3.86Å; F287-P307 HydrophobicContact CE2-CG 3.96Å; F287-V309 HydrophobicContact CD2-CG1 3.82Å; F287-V309 HydrophobicContact CE2-CG1 4.38Å; F287-Y344 HydrophobicContact CB-CE2 3.95Å; F287-Y344 HydrophobicContact CD1-CD2 4.33Å; F287-Y344 AromaticContact CD1-CE2 3.59Å; F287-Y344 HydrophobicContact CD1-CE2 3.59Å; F287-Y344 HydrophobicContact CE1-CE2 4.17Å; F287-Y344 AromaticContact CG-CE2 3.79Å; F287-Y344 HydrophobicContact CG-CE2 3.79Å; F287-R351 HydrophobicContact CE2-CG 4.31Å; F287-R351 HydrophobicContact CZ-CB 4.36Å; F287-R351 HydrophobicContact CZ-CG 4.32Å; F287-L376 HydrophobicContact CD2-CD1 4.22Å; F287-L376 HydrophobicContact CE1-CD1 4.35Å; F287-L376 HydrophobicContact CE2-CD1 3.92Å; F287-L376 HydrophobicContact CZ-CD1 3.96Å
288	L	98.8	Very high	97.9	Very high	74 Å²	74	44.4 Å²	44.4	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-42.9	177.1	-69.6	174.2	0	0	0	111.4	E284 R285 C290 L291 H292	E284-L288 HydrophobicContact CG-CD1 3.97Å; E284-L288 HydrophobicContact CG-CG 4.29Å; E284-L288 WeakPolarHBondContact O-CB 3.33Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.42Å; E284-L288 PolarHBondContact O-N 3.15Å; R285-L288 PolarHBondContact O-N 3.38Å; L288-C290 VanDerWaalsContact C-N 3.34Å; L288-C290 PolarHBondContact O-N 2.98Å; L288-L291 PolarHBondContact O-N 3.41Å; L288-H292 WeakPolarHBondContact O-CB 3.49Å; L288-H292 PolarHBondContact O-CD2 3.04Å; L288-H292 PolarHBondContact O-N 2.99Å
289	Q	98.7	Very high	97.2	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.065	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.6	-71.5	177	6.7	0	0	111.3	R285 E286 H292 F293 C295 L297 D298	R285-Q289 VanDerWaalsContact O-CG 3.26Å; R285-Q289 WeakPolarHBondContact O-CG 3.1Å; R285-Q289 PolarHBondContact O-N 3.16Å; E286-Q289 PolarHBondContact O-N 3.3Å; Q289-H292 PolarHBondContact O-N 3.28Å; Q289-F293 HydrophobicContact CB-CD2 4.31Å; Q289-F293 HydrophobicContact CG-CD2 4.48Å; Q289-F293 WeakPolarHBondContact O-CA 3.3Å; Q289-F293 WeakPolarHBondContact O-CB 3.29Å; Q289-F293 PolarHBondContact O-N 3.19Å; Q289-C295 CarbonylContact C-O 3.59Å; Q289-C295 VanDerWaalsContact CB-O 3.24Å; Q289-C295 WeakPolarHBondContact CB-O 3.14Å; Q289-L297 HydrophobicContact CG-CD1 4.47Å; Q289-D298 PolarHBondContact NE2-OD1 3.17Å; Q289-D298 VanDerWaalsContact NE2-OD1 3.17Å
290	C	98.7	Very high	96.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-52.7	175.5	176.2	0	0	0	0	112	M282 E286 F287 L288 H292 D294 L304 S305 V306	M282-C290 HydrophobicContact CE-CB 3.78Å; M282-C290 HydrophobicContact SD-CB 4.09Å; E286-C290 VanDerWaalsContact O-CB 3.23Å; E286-C290 WeakPolarHBondContact O-CB 3.34Å; E286-C290 PolarHBondContact O-N 3.21Å; F287-C290 PolarHBondContact O-N 3.32Å; L288-C290 VanDerWaalsContact C-N 3.34Å; L288-C290 PolarHBondContact O-N 2.98Å; C290-H292 VanDerWaalsContact C-N 3.32Å; C290-H292 PolarHBondContact O-N 3.3Å; C290-D294 WeakPolarHBondContact O-CA 3.49Å; C290-D294 PolarHBondContact O-N 2.95Å; C290-L304 PolarHBondContact SG-O 3.37Å; C290-S305 VanDerWaalsContact SG-C 3.55Å; C290-V306 PolarHBondContact SG-N 2.98Å; C290-V306 PolarHBondContact SG-O 3.25Å
291	L	98.5	Very high	96.6	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-29.3	-177.1	-78.7	-173.3	0	0	0	114.6	F287 L288 P307 R351 R354 Q355	F287-L291 HydrophobicContact CD1-CD1 4.29Å; F287-L291 HydrophobicContact CD2-CD1 4.32Å; F287-L291 HydrophobicContact CD2-CG 4.37Å; F287-L291 HydrophobicContact CE1-CD1 3.62Å; F287-L291 HydrophobicContact CE2-CD1 3.65Å; F287-L291 HydrophobicContact CE2-CG 4Å; F287-L291 HydrophobicContact CZ-CD1 3.27Å; F287-L291 HydrophobicContact CZ-CG 4.14Å; F287-L291 PolarHBondContact O-N 2.92Å; L288-L291 PolarHBondContact O-N 3.41Å; L291-P307 HydrophobicContact CD2-CG 3.55Å; L291-P307 HydrophobicContact CG-CG 4.12Å; L291-R351 HydrophobicContact CD1-CB 4.45Å; L291-R351 HydrophobicContact CD2-CG 4.35Å; L291-R354 HydrophobicContact CD2-CB 4.24Å; L291-Q355 HydrophobicContact CD2-CB 4.38Å
292	H	98.6	Very high	96.6	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-100.7	-26.3	-173.3	-75.3	-79.4	0	0	0	113.9	L288 Q289 C290 R354	L288-H292 WeakPolarHBondContact O-CB 3.49Å; L288-H292 PolarHBondContact O-CD2 3.04Å; L288-H292 PolarHBondContact O-N 2.99Å; Q289-H292 PolarHBondContact O-N 3.28Å; C290-H292 VanDerWaalsContact C-N 3.32Å; C290-H292 PolarHBondContact O-N 3.3Å; H292-R354 PolarHBondContact CE1-NE 3.13Å
293	F	98.6	Very high	96.6	Very high	122 Å²	122	48.4 Å²	48.4	54%	0.535	25%	0.249	S	C	.	.	H	α-helix	trans	-129.4	-1	-170.5	-49.1	-59.2	0	0	0	113.9	Q289 C295 L297	Q289-F293 HydrophobicContact CB-CD2 4.31Å; Q289-F293 HydrophobicContact CG-CD2 4.48Å; Q289-F293 WeakPolarHBondContact O-CA 3.3Å; Q289-F293 WeakPolarHBondContact O-CB 3.29Å; Q289-F293 PolarHBondContact O-N 3.19Å; F293-C295 PolarHBondContact O-N 3.31Å; F293-L297 HydrophobicContact CD2-CD1 3.8Å; F293-L297 HydrophobicContact CE2-CD1 4.21Å; F293-L297 HydrophobicContact CG-CD1 4.36Å
294	D	98.8	Very high	96.6	Very high	44 Å²	44	45.5 Å²	45.5	24%	0.235	24%	0.238	C	C	.	.	S	Bend	trans	54.9	17.1	-172.4	-66.8	-15.1	0	0	0	113.8	C290 L304 Q504	C290-D294 WeakPolarHBondContact O-CA 3.49Å; C290-D294 PolarHBondContact O-N 2.95Å; D294-L304 CarbonylContact C-O 3.56Å; D294-L304 CarbonylContact O-C 3.55Å; D294-L304 VanDerWaalsContact O-C 3.24Å; D294-L304 PolarHBondContact O-N 2.88Å; D294-Q504 PolarHBondContact OD2-NE2 2.77Å
295	C	98.6	Very high	96.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.5	-171.9	-71.9	0	0	0	0	112	Q289 F293 L297 V301 I302 P550	Q289-C295 CarbonylContact C-O 3.59Å; Q289-C295 VanDerWaalsContact CB-O 3.24Å; Q289-C295 WeakPolarHBondContact CB-O 3.14Å; F293-C295 PolarHBondContact O-N 3.31Å; C295-L297 HydrophobicContact CB-CD2 4.01Å; C295-V301 HydrophobicContact CB-CG1 4.3Å; C295-I302 CarbonylContact C-O 3.48Å; C295-I302 WeakPolarHBondContact CA-O 3.42Å; C295-I302 WeakPolarHBondContact CB-O 3.46Å; C295-P550 VanDerWaalsContact SG-CG 3.55Å
296	L	97.6	Very high	96.6	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.7	154.2	-52.5	179.5	0	0	0	108.7	L278 E286 G300 I302 L304	L278-L296 HydrophobicContact CD2-CD1 3.68Å; L278-L296 HydrophobicContact CG-CD1 4.29Å; E286-L296 HydrophobicContact CB-CD2 3.77Å; E286-L296 HydrophobicContact CG-CD2 4.15Å; L296-G300 VanDerWaalsContact O-O 3.07Å; L296-I302 HydrophobicContact CB-CB 4.31Å; L296-I302 PolarHBondContact N-O 3.02Å; L296-I302 PolarHBondContact O-N 2.84Å; L296-L304 HydrophobicContact CD1-CD1 3.85Å; L296-L304 HydrophobicContact CG-CB 4.21Å; L296-L304 HydrophobicContact CG-CD1 4.26Å
297	L	94.8	Very high	96.6	Very high	74 Å²	74	33 Å²	33	39%	0.387	19%	0.187	S	C	.	.			trans	-119.4	-14.1	-171	-57.8	177.4	0	0	0	113.5	Q289 F293 C295 G299 G300 V301	Q289-L297 HydrophobicContact CG-CD1 4.47Å; F293-L297 HydrophobicContact CD2-CD1 3.8Å; F293-L297 HydrophobicContact CE2-CD1 4.21Å; F293-L297 HydrophobicContact CG-CD1 4.36Å; C295-L297 HydrophobicContact CB-CD2 4.01Å; L297-G299 PolarHBondContact O-N 2.93Å; L297-G300 CarbonylContact C-O 3.54Å; L297-G300 VanDerWaalsContact C-O 3.27Å; L297-G300 WeakPolarHBondContact CA-O 3.22Å; L297-G300 PolarHBondContact O-N 2.92Å; L297-V301 HydrophobicContact CD2-CG2 4.32Å
298	D	87	Confident	96.6	Very high	78 Å²	78	32.6 Å²	32.6	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	121.1	-177.9	-64	-10.3	0	0	0	110.1	R285 Q289 G300	R285-D298 WeakPolarHBondContact CD-OD2 3.37Å; R285-D298 IonicContact CZ-OD1 3.79Å; R285-D298 VanDerWaalsContact CZ-OD1 3.3Å; R285-D298 IonicContact CZ-OD2 3.62Å; R285-D298 VanDerWaalsContact NE-CG 3.33Å; R285-D298 IonicContact NE-OD1 2.69Å; R285-D298 PolarHBondContact NE-OD1 3.43Å; R285-D298 VanDerWaalsContact NE-OD1 3.12Å; R285-D298 IonicContact NE-OD2 3.23Å; R285-D298 PolarHBondContact NE-OD2 3.08Å; R285-D298 IonicContact NH2-OD1 2.84Å; R285-D298 PolarHBondContact NH2-OD1 3.21Å; R285-D298 IonicContact NH2-OD2 3.03Å; Q289-D298 PolarHBondContact NE2-OD1 3.17Å; Q289-D298 VanDerWaalsContact NE2-OD1 3.17Å; D298-G300 PolarHBondContact O-N 2.84Å
299	G	84.5	Confident	96.6	Very high	42 Å²	42	29.3 Å²	29.3	43%	0.433	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-1.6	-176.8	0	0	0	0	0	114.7	D229 A230 L297	D229-G299 CarbonylContact C-O 3.6Å; D229-G299 VanDerWaalsContact CA-O 3.31Å; D229-G299 WeakPolarHBondContact CA-O 3.36Å; D229-G299 WeakPolarHBondContact CB-O 3.45Å; A230-G299 PolarHBondContact N-O 3.06Å; L297-G299 PolarHBondContact O-N 2.93Å
300	G	89.6	Confident	96.6	Very high	31 Å²	31	28.7 Å²	28.7	32%	0.32	17%	0.165	S	C	.	.	S	Bend	trans	147.3	168.4	-179	0	0	0	0	0	112	L296 L297 D298 I302	L296-G300 VanDerWaalsContact O-O 3.07Å; L297-G300 CarbonylContact C-O 3.54Å; L297-G300 VanDerWaalsContact C-O 3.27Å; L297-G300 WeakPolarHBondContact CA-O 3.22Å; L297-G300 PolarHBondContact O-N 2.92Å; D298-G300 PolarHBondContact O-N 2.84Å; G300-I302 PolarHBondContact O-N 2.87Å
301	V	94.8	Very high	96.6	Very high	79 Å²	79	30.1 Å²	30.1	48%	0.479	17%	0.174	S	C	.	.			trans	-85.7	109.8	178.8	-178.2	0	0	0	0	109.7	C295 L297 P550	C295-V301 HydrophobicContact CB-CG1 4.3Å; L297-V301 HydrophobicContact CD2-CG2 4.32Å; V301-P550 HydrophobicContact CG1-CB 3.91Å
302	I	97.7	Very high	96.6	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.3	175.9	-62	-63.8	0	0	0	109.6	A230 Y232 P277 C295 L296 G300 L304	A230-I302 HydrophobicContact CB-CD1 3.99Å; A230-I302 HydrophobicContact CB-CG1 3.61Å; Y232-I302 HydrophobicContact CD2-CD1 3.85Å; Y232-I302 HydrophobicContact CE1-CD1 4.37Å; Y232-I302 HydrophobicContact CE1-CG2 3.99Å; Y232-I302 HydrophobicContact CE2-CD1 3.44Å; Y232-I302 VanDerWaalsContact CE2-CD1 3.44Å; Y232-I302 HydrophobicContact CG-CD1 4.44Å; Y232-I302 WeakPolarHBondContact OH-CA 3.28Å; P277-I302 HydrophobicContact CG-CG1 4.36Å; C295-I302 CarbonylContact C-O 3.48Å; C295-I302 WeakPolarHBondContact CA-O 3.42Å; C295-I302 WeakPolarHBondContact CB-O 3.46Å; L296-I302 HydrophobicContact CB-CB 4.31Å; L296-I302 PolarHBondContact N-O 3.02Å; L296-I302 PolarHBondContact O-N 2.84Å; G300-I302 PolarHBondContact O-N 2.87Å; I302-L304 PolarHBondContact O-N 3.09Å
303	N	98.8	Very high	96.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	120.6	170	-166.3	-89.5	0	0	0	111.2	Y232 Q504 R508 P550 L552	Y232-N303 PolarHBondContact OH-N 3.25Å; N303-Q504 PolarHBondContact ND2-OE1 3.03Å; N303-R508 HydrophobicContact CB-CB 4.38Å; N303-R508 PolarHBondContact O-NE 3.47Å; N303-R508 PolarHBondContact O-NH2 2.87Å; N303-P550 VanDerWaalsContact CB-O 3.28Å; N303-P550 WeakPolarHBondContact CB-O 3.24Å; N303-P550 PolarHBondContact ND2-O 2.78Å; N303-L552 HydrophobicContact CB-CD2 3.87Å; N303-L552 HydrophobicContact CB-CG 4.37Å
304	L	98.7	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.159	C	C	.	.			trans	-160.1	88.8	174.1	-149.5	170.1	0	0	0	108.7	L278 M282 C290 D294 L296 I302 V306 I308	L278-L304 HydrophobicContact CD1-CD1 3.74Å; L278-L304 HydrophobicContact CD2-CD1 4.33Å; L278-L304 HydrophobicContact CG-CD1 3.75Å; M282-L304 HydrophobicContact CE-CD1 4.11Å; M282-L304 HydrophobicContact CE-CD2 3.3Å; M282-L304 HydrophobicContact CE-CG 4.25Å; C290-L304 PolarHBondContact SG-O 3.37Å; D294-L304 CarbonylContact C-O 3.56Å; D294-L304 CarbonylContact O-C 3.55Å; D294-L304 VanDerWaalsContact O-C 3.24Å; D294-L304 PolarHBondContact O-N 2.88Å; L296-L304 HydrophobicContact CD1-CD1 3.85Å; L296-L304 HydrophobicContact CG-CB 4.21Å; L296-L304 HydrophobicContact CG-CD1 4.26Å; I302-L304 PolarHBondContact O-N 3.09Å; L304-V306 VanDerWaalsContact CD2-O 3.24Å; L304-V306 WeakPolarHBondContact CD2-O 3.36Å; L304-I308 HydrophobicContact CD2-CD1 4.23Å
305	S	98.9	Very high	96.6	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	17%	0.173	C	C	.	.			trans	-92	-4.2	-167.6	61.4	0	0	0	0	115.7	C290 T501 Q504 W505	C290-S305 VanDerWaalsContact SG-C 3.55Å; S305-T501 WeakPolarHBondContact CB-O 3.34Å; S305-T501 WeakPolarHBondContact O-CG2 3.22Å; S305-T501 PolarHBondContact OG-O 2.76Å; S305-Q504 WeakPolarHBondContact OG-CB 3.31Å; S305-W505 PolarHBondContact OG-N 3.11Å
306	V	98.9	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-121.7	131.1	-177.8	-61.1	0	0	0	0	110.6	C290 L304 I308 M496 W505	C290-V306 PolarHBondContact SG-N 2.98Å; C290-V306 PolarHBondContact SG-O 3.25Å; L304-V306 VanDerWaalsContact CD2-O 3.24Å; L304-V306 WeakPolarHBondContact CD2-O 3.36Å; V306-I308 HydrophobicContact CG2-CG1 4.43Å; V306-I308 PolarHBondContact O-N 3.41Å; V306-M496 HydrophobicContact CB-CE 4.08Å; V306-M496 HydrophobicContact CB-SD 3.79Å; V306-M496 HydrophobicContact CG1-CE 3.81Å; V306-M496 HydrophobicContact CG1-SD 3.78Å; V306-M496 HydrophobicContact CG2-CE 4.07Å; V306-M496 HydrophobicContact CG2-SD 4.29Å; V306-W505 HydrophobicContact CB-CB 4.42Å; V306-W505 HydrophobicContact CG1-CB 3.81Å; V306-W505 HydrophobicContact CG1-CG 4.32Å; V306-W505 HydrophobicContact CG2-CB 3.73Å; V306-W505 HydrophobicContact CG2-CD2 3.76Å; V306-W505 HydrophobicContact CG2-CE3 4.14Å; V306-W505 HydrophobicContact CG2-CG 3.54Å
307	P	98.9	Very high	96.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.013	19%	0.188	C	C	.	.			trans	-60.9	119.1	173.7	-28.1	36.2	0	0	0	112.3	F287 L291 V309	F287-P307 HydrophobicContact CD2-CB 3.88Å; F287-P307 HydrophobicContact CD2-CG 4.19Å; F287-P307 HydrophobicContact CE2-CB 3.86Å; F287-P307 HydrophobicContact CE2-CG 3.96Å; L291-P307 HydrophobicContact CD2-CG 3.55Å; L291-P307 HydrophobicContact CG-CG 4.12Å; P307-V309 HydrophobicContact CB-CG1 4.08Å; P307-V309 HydrophobicContact CB-CG2 4.36Å
308	I	98.9	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.201	C	C	.	.			trans	-105.3	90.1	172.2	-55.5	176.6	0	0	0	107.4	W266 V269 L270 A275 L278 F281 M282 L304 V306 W505	W266-I308 HydrophobicContact CD2-CG2 4.5Å; W266-I308 HydrophobicContact CE3-CG1 4.15Å; W266-I308 HydrophobicContact CE3-CG2 3.96Å; W266-I308 HydrophobicContact CZ3-CD1 4.19Å; W266-I308 HydrophobicContact CZ3-CG1 3.91Å; V269-I308 HydrophobicContact CG1-CD1 4.49Å; L270-I308 HydrophobicContact CD1-CG2 3.88Å; L270-I308 HydrophobicContact CD2-CG2 3.93Å; L270-I308 HydrophobicContact CG-CG2 3.86Å; A275-I308 HydrophobicContact CB-CD1 3.4Å; L278-I308 HydrophobicContact CD1-CB 4.24Å; L278-I308 HydrophobicContact CD1-CD1 4.15Å; F281-I308 HydrophobicContact CD1-CG2 4.34Å; M282-I308 PolarHBondContact N-O 3.4Å; L304-I308 HydrophobicContact CD2-CD1 4.23Å; V306-I308 HydrophobicContact CG2-CG1 4.43Å; V306-I308 PolarHBondContact O-N 3.41Å; I308-W505 HydrophobicContact CD1-CH2 4.15Å; I308-W505 HydrophobicContact CD1-CZ3 4.16Å
309	V	98.9	Very high	97.3	Very high	5 Å²	5	34 Å²	34	3%	0.03	20%	0.203	C	C	.	.			trans	-133.6	153.7	-166	-62.9	0	0	0	0	110.8	F281 M282 F287 P307 Y344 R351 L376	F281-V309 VanDerWaalsContact CD1-C 3.45Å; M282-V309 HydrophobicContact CB-CG1 4.11Å; M282-V309 HydrophobicContact SD-CG1 4.45Å; F287-V309 HydrophobicContact CD2-CG1 3.82Å; F287-V309 HydrophobicContact CE2-CG1 4.38Å; P307-V309 HydrophobicContact CB-CG1 4.08Å; P307-V309 HydrophobicContact CB-CG2 4.36Å; V309-Y344 WeakPolarHBondContact CG1-OH 3.36Å; V309-R351 VanDerWaalsContact CG2-NH1 3.27Å; V309-L376 HydrophobicContact CB-CD1 4.04Å; V309-L376 HydrophobicContact CB-CD2 3.88Å; V309-L376 HydrophobicContact CB-CG 4.41Å; V309-L376 HydrophobicContact CG1-CD1 4Å; V309-L376 HydrophobicContact CG2-CD1 4.09Å; V309-L376 HydrophobicContact CG2-CD2 3.67Å; V309-L376 HydrophobicContact CG2-CG 4.49Å
310	L	98.9	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.5	174.7	179.6	61.9	0	0	0	109.8	I259 D263 F281 V312 L328 L376 V377	I259-L310 HydrophobicContact CG2-CD1 3.97Å; D263-L310 HydrophobicContact CB-CD1 4.18Å; F281-L310 HydrophobicContact CB-CB 4.39Å; F281-L310 HydrophobicContact CD1-CB 3.93Å; F281-L310 HydrophobicContact CD2-CB 3.86Å; F281-L310 HydrophobicContact CD2-CD2 4.27Å; F281-L310 HydrophobicContact CE1-CB 4.1Å; F281-L310 HydrophobicContact CE2-CB 4.05Å; F281-L310 HydrophobicContact CE2-CD2 4.14Å; F281-L310 HydrophobicContact CG-CB 3.79Å; F281-L310 HydrophobicContact CZ-CB 4.16Å; F281-L310 HydrophobicContact CZ-CD1 4.48Å; L310-V312 HydrophobicContact CG-CG1 4.42Å; L310-L328 HydrophobicContact CD2-CD1 4.25Å; L310-L328 HydrophobicContact CD2-CD2 3.68Å; L310-L376 WeakPolarHBondContact O-CA 3.13Å; L310-V377 HydrophobicContact CB-CG1 3.9Å; L310-V377 HydrophobicContact CD2-CG1 3.68Å; L310-V377 HydrophobicContact CG-CG1 3.85Å; L310-V377 PolarHBondContact O-N 3.15Å
311	P	98.6	Very high	98.2	Very high	30 Å²	30	34.6 Å²	34.6	20%	0.195	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.9	176.2	31.1	-33.4	0	0	0	111.7	W375 L376	P311-W375 CarbonylContact C-O 3.57Å; P311-W375 VanDerWaalsContact CA-O 3.3Å; P311-W375 WeakPolarHBondContact CA-O 3.36Å; P311-L376 HydrophobicContact CB-CD2 3.99Å
312	V	98.6	Very high	98.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.6	178.8	-62.4	0	0	0	0	111.3	V257 L310 D316 K317 F343 G373 D374 W375 V377	V257-V312 HydrophobicContact CG2-CG1 4.22Å; L310-V312 HydrophobicContact CG-CG1 4.42Å; V312-D316 HydrophobicContact CB-CB 4.16Å; V312-K317 HydrophobicContact CG2-CB 4.43Å; V312-F343 HydrophobicContact CG2-CD1 4.03Å; V312-F343 HydrophobicContact CG2-CE1 4Å; V312-G373 CarbonylContact O-C 3.45Å; V312-G373 VanDerWaalsContact O-CA 3.26Å; V312-G373 WeakPolarHBondContact O-CA 3.37Å; V312-D374 PolarHBondContact O-N 3.32Å; V312-W375 HydrophobicContact CG2-CB 3.78Å; V312-W375 PolarHBondContact N-O 3.41Å; V312-W375 PolarHBondContact O-N 2.99Å; V312-V377 HydrophobicContact CG1-CG1 3.82Å
313	S	98.5	Very high	98.3	Very high	45 Å²	45	36 Å²	36	32%	0.315	21%	0.213	S	C	.	.			trans	-67.5	159.9	177.3	74.2	0	0	0	0	111.2	A315 D316 K317	S313-A315 PolarHBondContact O-N 3.34Å; S313-D316 PolarHBondContact O-N 3.19Å; S313-D316 WeakPolarHBondContact OG-CB 3.45Å; S313-D316 VanDerWaalsContact OG-CG 3.27Å; S313-D316 PolarHBondContact OG-N 2.73Å; S313-D316 PolarHBondContact OG-OD2 3.36Å; S313-K317 PolarHBondContact O-N 3.05Å
314	T	98.4	Very high	98.2	Very high	58 Å²	58	41.3 Å²	41.3	36%	0.356	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-38	172.2	-56.3	0	0	0	0	111.7	K317 E318	T314-K317 PolarHBondContact O-N 2.98Å; T314-E318 HydrophobicContact CG2-CG 4.48Å; T314-E318 WeakPolarHBondContact O-CG 3.44Å; T314-E318 PolarHBondContact O-N 2.89Å
315	A	98.4	Very high	98.2	Very high	65 Å²	65	41.8 Å²	41.8	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-41.2	176.6	0	0	0	0	0	112.2	S313 R319	S313-A315 PolarHBondContact O-N 3.34Å; A315-R319 VanDerWaalsContact O-CB 3.27Å; A315-R319 WeakPolarHBondContact O-CB 2.96Å; A315-R319 PolarHBondContact O-N 2.82Å
316	D	98.4	Very high	98.2	Very high	43 Å²	43	41.6 Å²	41.6	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-41.2	174.8	-70	-52.1	0	0	0	111.7	V312 S313 R319 L320	V312-D316 HydrophobicContact CB-CB 4.16Å; S313-D316 PolarHBondContact O-N 3.19Å; S313-D316 WeakPolarHBondContact OG-CB 3.45Å; S313-D316 VanDerWaalsContact OG-CG 3.27Å; S313-D316 PolarHBondContact OG-N 2.73Å; S313-D316 PolarHBondContact OG-OD2 3.36Å; D316-R319 PolarHBondContact O-N 2.93Å; D316-R319 IonicContact OD1-CZ 2.68Å; D316-R319 IonicContact OD1-NE 2.83Å; D316-R319 IonicContact OD1-NH2 3.76Å; D316-R319 PolarHBondContact OD1-NH2 3.1Å; D316-L320 HydrophobicContact CB-CD1 4.35Å; D316-L320 VanDerWaalsContact O-CB 3.24Å; D316-L320 WeakPolarHBondContact O-CB 3.39Å; D316-L320 VanDerWaalsContact O-CG 3.3Å; D316-L320 WeakPolarHBondContact O-CG 3.38Å; D316-L320 PolarHBondContact O-N 3.36Å
317	K	98.3	Very high	98.2	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-51.5	174.2	-176.4	-91.5	171.4	-156.8	0	110.5	V312 S313 T314 R319 L320 D321 F343 W375	V312-K317 HydrophobicContact CG2-CB 4.43Å; S313-K317 PolarHBondContact O-N 3.05Å; T314-K317 PolarHBondContact O-N 2.98Å; K317-R319 VanDerWaalsContact C-N 3.28Å; K317-R319 PolarHBondContact O-N 3.46Å; K317-L320 PolarHBondContact O-N 3.48Å; K317-D321 WeakPolarHBondContact CE-OD2 3.28Å; K317-D321 IonicContact NZ-OD2 2.76Å; K317-D321 PolarHBondContact NZ-OD2 3.4Å; K317-D321 VanDerWaalsContact O-CB 3.27Å; K317-D321 WeakPolarHBondContact O-CB 3.26Å; K317-D321 PolarHBondContact O-N 2.73Å; K317-F343 HydrophobicContact CB-CD1 4.12Å; K317-F343 HydrophobicContact CB-CE1 4.43Å; K317-F343 HydrophobicContact CG-CB 3.93Å; K317-F343 HydrophobicContact CG-CD1 3.68Å; K317-F343 HydrophobicContact CG-CE1 4.36Å; K317-F343 HydrophobicContact CG-CG 3.88Å; K317-W375 HydrophobicContact CB-CB 4.25Å; K317-W375 HydrophobicContact CB-CD2 4.33Å; K317-W375 HydrophobicContact CB-CG 3.91Å; K317-W375 HydrophobicContact CD-CD2 4.13Å; K317-W375 HydrophobicContact CD-CE3 4.43Å; K317-W375 HydrophobicContact CD-CZ2 4.21Å; K317-W375 HydrophobicContact CG-CB 4.34Å; K317-W375 HydrophobicContact CG-CD2 3.75Å; K317-W375 HydrophobicContact CG-CE3 4.08Å; K317-W375 HydrophobicContact CG-CG 3.84Å
318	E	98.2	Very high	98.2	Very high	139 Å²	139	41.5 Å²	41.5	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-61.7	-36.4	-179.9	-73.8	174	-179.9	0	0	112.6	T314	T314-E318 HydrophobicContact CG2-CG 4.48Å; T314-E318 WeakPolarHBondContact O-CG 3.44Å; T314-E318 PolarHBondContact O-N 2.89Å
319	R	98.3	Very high	98.2	Very high	123 Å²	123	41.9 Å²	41.9	46%	0.464	25%	0.25	S	C	.	.	H	α-helix	trans	-73.2	-31.7	178.6	-178.5	175.8	61	82.2	-2.8	113.6	A256 A315 D316 K317	A256-R319 PolarHBondContact O-NH1 3.14Å; A256-R319 PolarHBondContact O-NH2 3.13Å; A315-R319 VanDerWaalsContact O-CB 3.27Å; A315-R319 WeakPolarHBondContact O-CB 2.96Å; A315-R319 PolarHBondContact O-N 2.82Å; D316-R319 PolarHBondContact O-N 2.93Å; D316-R319 IonicContact OD1-CZ 2.68Å; D316-R319 IonicContact OD1-NE 2.83Å; D316-R319 IonicContact OD1-NH2 3.76Å; D316-R319 PolarHBondContact OD1-NH2 3.1Å; K317-R319 VanDerWaalsContact C-N 3.28Å; K317-R319 PolarHBondContact O-N 3.46Å
320	L	97.9	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-108.3	-5.9	-171.4	-63.3	168.1	0	0	0	113.3	P255 V257 D316 K317 V323 M326 F343	P255-L320 HydrophobicContact CB-CD2 3.76Å; P255-L320 HydrophobicContact CG-CD2 4.07Å; V257-L320 HydrophobicContact CB-CD1 3.92Å; V257-L320 HydrophobicContact CG2-CD1 4.39Å; D316-L320 HydrophobicContact CB-CD1 4.35Å; D316-L320 VanDerWaalsContact O-CB 3.24Å; D316-L320 WeakPolarHBondContact O-CB 3.39Å; D316-L320 VanDerWaalsContact O-CG 3.3Å; D316-L320 WeakPolarHBondContact O-CG 3.38Å; D316-L320 PolarHBondContact O-N 3.36Å; K317-L320 PolarHBondContact O-N 3.48Å; L320-V323 WeakPolarHBondContact O-CG1 3.38Å; L320-V323 WeakPolarHBondContact O-CG2 3.49Å; L320-V323 PolarHBondContact O-N 2.84Å; L320-M326 HydrophobicContact CB-CE 4.31Å; L320-M326 HydrophobicContact CD1-SD 3.95Å; L320-M326 HydrophobicContact CD2-CB 4.35Å; L320-F343 HydrophobicContact CB-CE1 4.44Å; L320-F343 HydrophobicContact CB-CE2 4.48Å; L320-F343 HydrophobicContact CB-CZ 3.68Å
321	D	96.3	Very high	98.1	Very high	86 Å²	86	47.8 Å²	47.8	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	137.7	175.7	-161	4.4	0	0	0	110.9	K317 V323	K317-D321 WeakPolarHBondContact CE-OD2 3.28Å; K317-D321 IonicContact NZ-OD2 2.76Å; K317-D321 PolarHBondContact NZ-OD2 3.4Å; K317-D321 VanDerWaalsContact O-CB 3.27Å; K317-D321 WeakPolarHBondContact O-CB 3.26Å; K317-D321 PolarHBondContact O-N 2.73Å; D321-V323 VanDerWaalsContact C-N 3.29Å; D321-V323 PolarHBondContact O-N 3.42Å
322	G	95.4	Very high	98	Very high	73 Å²	73	49.6 Å²	49.6	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-3.8	-177.5	0	0	0	0	0	116.3
323	V	97.8	Very high	97.9	Very high	40 Å²	40	56.8 Å²	56.8	24%	0.242	34%	0.336	C	S	.	.			trans	-74.7	144.2	171.9	-49.8	0	0	0	0	110.5	P255 L320 D321 M326 P341	P255-V323 HydrophobicContact CG-CB 4.4Å; P255-V323 HydrophobicContact CG-CG1 4.12Å; P255-V323 HydrophobicContact CG-CG2 4.46Å; L320-V323 WeakPolarHBondContact O-CG1 3.38Å; L320-V323 WeakPolarHBondContact O-CG2 3.49Å; L320-V323 PolarHBondContact O-N 2.84Å; D321-V323 VanDerWaalsContact C-N 3.29Å; D321-V323 PolarHBondContact O-N 3.42Å; V323-M326 HydrophobicContact CG2-CB 4.41Å; V323-M326 HydrophobicContact CG2-CE 4.19Å; V323-P341 HydrophobicContact CG2-CG 4.09Å; V323-P341 VanDerWaalsContact O-CD 3.3Å; V323-P341 WeakPolarHBondContact O-CD 3.46Å; V323-P341 WeakPolarHBondContact O-CG 3.41Å
324	T	97.7	Very high	97.9	Very high	111 Å²	111	57.1 Å²	57.1	68%	0.681	33%	0.33	S	S	*	.	S	Bend	trans	-83	-20.3	178.2	55.2	0	0	0	0	112.8	N340	T324-N340 PolarHBondContact O-N 2.9Å
325	A	98.4	Very high	98	Very high	10 Å²	10	55 Å²	55	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	150.6	176.3	0	0	0	0	0	111.6	L254 I337 L338 R339	L254-A325 HydrophobicContact CD1-CB 3.83Å; L254-A325 HydrophobicContact CD2-CB 3.92Å; A325-I337 HydrophobicContact CB-CG2 4.13Å; A325-L338 CarbonylContact C-O 3.59Å; A325-L338 VanDerWaalsContact CA-O 3.31Å; A325-L338 WeakPolarHBondContact CA-O 3.46Å; A325-R339 HydrophobicContact CB-CG 3.99Å
326	M	98.5	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.6	173.2	70.9	-173.2	79.6	0	0	110.9	P255 V257 L320 V323 I337 L338 P341 F343 V377	P255-M326 CarbonylContact O-C 3.57Å; P255-M326 VanDerWaalsContact O-CA 3.31Å; P255-M326 WeakPolarHBondContact O-CA 3.35Å; V257-M326 HydrophobicContact CG1-SD 4.11Å; L320-M326 HydrophobicContact CB-CE 4.31Å; L320-M326 HydrophobicContact CD1-SD 3.95Å; L320-M326 HydrophobicContact CD2-CB 4.35Å; V323-M326 HydrophobicContact CG2-CB 4.41Å; V323-M326 HydrophobicContact CG2-CE 4.19Å; M326-I337 CarbonylContact O-C 3.59Å; M326-I337 WeakPolarHBondContact O-CA 3.07Å; M326-L338 HydrophobicContact CE-CD2 4.47Å; M326-L338 HydrophobicContact CG-CB 4Å; M326-L338 PolarHBondContact N-O 3.21Å; M326-L338 PolarHBondContact O-N 2.93Å; M326-L338 HydrophobicContact SD-CD2 4.34Å; M326-P341 HydrophobicContact CE-CB 3.35Å; M326-P341 HydrophobicContact CE-CG 3.53Å; M326-F343 HydrophobicContact CE-CE2 4.28Å; M326-F343 HydrophobicContact CE-CZ 3.68Å; M326-V377 HydrophobicContact CE-CG2 4.06Å
327	A	98.8	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.4	172.4	0	0	0	0	0	111.4	L254 P255 A256 V257 R334 A336	L254-A327 HydrophobicContact CB-CB 4.4Å; P255-A327 PolarHBondContact O-N 3Å; A256-A327 CarbonylContact C-O 3.55Å; A256-A327 VanDerWaalsContact CA-O 3.28Å; A256-A327 WeakPolarHBondContact CA-O 3.45Å; V257-A327 PolarHBondContact N-O 3.23Å; A327-R334 HydrophobicContact CB-CB 4.46Å; A327-R334 HydrophobicContact CB-CG 4.09Å; A327-A336 CarbonylContact C-O 3.44Å; A327-A336 WeakPolarHBondContact CA-O 2.9Å
328	L	98.8	Very high	98	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.4	168.4	-51.7	-170.8	0	0	0	108.9	V257 I259 V267 F281 L310 R334 V335 A336 L338 L381	V257-L328 HydrophobicContact CG1-CD2 3.37Å; I259-L328 HydrophobicContact CD1-CB 4.2Å; I259-L328 HydrophobicContact CG2-CB 4.28Å; I259-L328 HydrophobicContact CG2-CD2 4.37Å; V267-L328 HydrophobicContact CG2-CD1 4.03Å; F281-L328 HydrophobicContact CE2-CD1 3.86Å; L310-L328 HydrophobicContact CD2-CD1 4.25Å; L310-L328 HydrophobicContact CD2-CD2 3.68Å; L328-R334 CarbonylContact O-C 3.58Å; L328-R334 WeakPolarHBondContact O-CA 3.26Å; L328-V335 HydrophobicContact CB-CG2 4.18Å; L328-V335 WeakPolarHBondContact O-CG2 3.31Å; L328-V335 PolarHBondContact O-N 2.97Å; L328-A336 HydrophobicContact CB-CB 4.3Å; L328-A336 HydrophobicContact CD1-CB 4.14Å; L328-A336 HydrophobicContact CG-CB 4.26Å; L328-A336 PolarHBondContact N-O 2.87Å; L328-L338 HydrophobicContact CD2-CB 4.49Å; L328-L381 HydrophobicContact CD1-CD1 3.82Å
329	V	98.8	Very high	98	Very high	8 Å²	8	44 Å²	44	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	-177.7	-178.8	0	0	0	0	110.6	A256 V257 Q258 I259 R333 R334	A256-V329 HydrophobicContact CB-CG2 3.68Å; V257-V329 PolarHBondContact O-N 2.79Å; Q258-V329 PolarHBondContact OE1-O 3.27Å; I259-V329 WeakPolarHBondContact CG1-O 3.17Å; I259-V329 PolarHBondContact N-O 2.94Å; V329-R333 CarbonylContact C-O 3.58Å; V329-R333 VanDerWaalsContact CA-O 3.26Å; V329-R333 WeakPolarHBondContact CA-O 3.32Å; V329-R334 HydrophobicContact CG2-CG 3.88Å
330	Y	98.6	Very high	98	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.4	174.8	178.7	-115.3	0	0	0	109.9	K261 M264 G332 R333	K261-Y330 HydrophobicContact CB-CE2 4.14Å; M264-Y330 HydrophobicContact CB-CD1 4.15Å; M264-Y330 HydrophobicContact CB-CD2 4.03Å; M264-Y330 HydrophobicContact CB-CE1 4.32Å; M264-Y330 HydrophobicContact CB-CE2 4.23Å; M264-Y330 HydrophobicContact CB-CG 4Å; M264-Y330 HydrophobicContact CG-CD1 3.62Å; M264-Y330 HydrophobicContact CG-CD2 4.4Å; M264-Y330 HydrophobicContact CG-CE1 3.9Å; M264-Y330 HydrophobicContact CG-CG 3.9Å; M264-Y330 HydrophobicContact SD-CD1 3.93Å; M264-Y330 HydrophobicContact SD-CG 4.02Å; Y330-G332 PolarHBondContact O-N 3.48Å; Y330-R333 PolarHBondContact N-O 3.06Å; Y330-R333 PolarHBondContact O-N 3.47Å
331	S	96.9	Very high	98.1	Very high	89 Å²	89	43.7 Å²	43.7	62%	0.622	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	43.9	-178.4	-60.1	0	0	0	0	112.7	R333	S331-R333 VanDerWaalsContact C-N 3.27Å; S331-R333 PolarHBondContact O-N 2.65Å
332	G	96.3	Very high	98.2	Very high	68 Å²	68	42.8 Å²	42.8	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	0	178.8	0	0	0	0	0	115.8	Y330	Y330-G332 PolarHBondContact O-N 3.48Å
333	R	97.9	Very high	98.3	Very high	157 Å²	157	40.6 Å²	40.6	59%	0.592	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.9	178.8	-63.6	-176.8	-69.1	-179.9	-0.3	111.1	V329 Y330 S331 V335	V329-R333 CarbonylContact C-O 3.58Å; V329-R333 VanDerWaalsContact CA-O 3.26Å; V329-R333 WeakPolarHBondContact CA-O 3.32Å; Y330-R333 PolarHBondContact N-O 3.06Å; Y330-R333 PolarHBondContact O-N 3.47Å; S331-R333 VanDerWaalsContact C-N 3.27Å; S331-R333 PolarHBondContact O-N 2.65Å; R333-V335 HydrophobicContact CB-CG1 4.48Å; R333-V335 PolarHBondContact O-N 2.94Å
334	R	98.6	Very high	98.4	Very high	52 Å²	52	39 Å²	39	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.7	168.5	-64.7	-180	-171.2	-102.4	6	108.3	A251 E252 L254 A327 L328 V329 L384	A251-R334 HydrophobicContact CB-CB 4.37Å; A251-R334 VanDerWaalsContact O-CD 3.22Å; A251-R334 WeakPolarHBondContact O-CD 3.23Å; A251-R334 PolarHBondContact O-NE 3.2Å; A251-R334 PolarHBondContact O-NH1 3.33Å; E252-R334 PolarHBondContact O-NH2 2.93Å; E252-R334 VanDerWaalsContact O-NH2 3.13Å; E252-R334 WeakPolarHBondContact OE1-CD 3.42Å; E252-R334 IonicContact OE1-NE 2.63Å; E252-R334 IonicContact OE2-CZ 2.71Å; E252-R334 IonicContact OE2-NE 3.29Å; E252-R334 PolarHBondContact OE2-NE 2.78Å; E252-R334 IonicContact OE2-NH2 3.12Å; L254-R334 PolarHBondContact O-NH1 3.45Å; L254-R334 PolarHBondContact O-NH2 3.44Å; A327-R334 HydrophobicContact CB-CB 4.46Å; A327-R334 HydrophobicContact CB-CG 4.09Å; L328-R334 CarbonylContact O-C 3.58Å; L328-R334 WeakPolarHBondContact O-CA 3.26Å; V329-R334 HydrophobicContact CG2-CG 3.88Å; R334-L384 HydrophobicContact CB-CD1 4.44Å; R334-L384 WeakPolarHBondContact O-CD1 3.28Å
335	V	98.8	Very high	98.4	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-22.8	-173	-67.5	0	0	0	0	113	I259 M264 L328 R333 L384	I259-V335 HydrophobicContact CD1-CG2 4.15Å; M264-V335 HydrophobicContact CE-CB 4.13Å; M264-V335 HydrophobicContact CE-CG1 4.02Å; M264-V335 HydrophobicContact CE-CG2 4.43Å; M264-V335 HydrophobicContact SD-CB 4.14Å; M264-V335 HydrophobicContact SD-CG1 4.12Å; M264-V335 HydrophobicContact SD-CG2 3.81Å; L328-V335 HydrophobicContact CB-CG2 4.18Å; L328-V335 WeakPolarHBondContact O-CG2 3.31Å; L328-V335 PolarHBondContact O-N 2.97Å; R333-V335 HydrophobicContact CB-CG1 4.48Å; R333-V335 PolarHBondContact O-N 2.94Å; V335-L384 PolarHBondContact O-N 3.12Å
336	A	98.8	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163.2	-179.6	0	0	0	0	0	111.2	V267 A327 L328 L381 Q382 V383	V267-A336 HydrophobicContact CG1-CB 4.43Å; A327-A336 CarbonylContact C-O 3.44Å; A327-A336 WeakPolarHBondContact CA-O 2.9Å; L328-A336 HydrophobicContact CB-CB 4.3Å; L328-A336 HydrophobicContact CD1-CB 4.14Å; L328-A336 HydrophobicContact CG-CB 4.26Å; L328-A336 PolarHBondContact N-O 2.87Å; A336-L381 HydrophobicContact CB-CD1 3.78Å; A336-L381 HydrophobicContact CB-CG 4.46Å; A336-Q382 CarbonylContact C-O 3.24Å; A336-Q382 WeakPolarHBondContact CA-O 3.33Å; A336-Q382 WeakPolarHBondContact CB-O 3.28Å; A336-V383 HydrophobicContact CB-CG2 4.19Å
337	I	98.9	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	168.9	-56.8	172.3	0	0	0	108	D250 A251 L254 A325 M326 R339 Q382 L384	D250-I337 HydrophobicContact CB-CD1 4.48Å; A251-I337 HydrophobicContact CB-CD1 3.92Å; A251-I337 HydrophobicContact CB-CG1 3.84Å; L254-I337 HydrophobicContact CD1-CB 4.41Å; L254-I337 HydrophobicContact CD1-CD1 4.22Å; L254-I337 HydrophobicContact CD1-CG1 4.11Å; L254-I337 HydrophobicContact CD1-CG2 3.51Å; A325-I337 HydrophobicContact CB-CG2 4.13Å; M326-I337 CarbonylContact O-C 3.59Å; M326-I337 WeakPolarHBondContact O-CA 3.07Å; I337-R339 HydrophobicContact CG2-CG 3.84Å; I337-Q382 PolarHBondContact N-O 3.13Å; I337-Q382 PolarHBondContact O-N 3.45Å; I337-L384 HydrophobicContact CD1-CD2 4.44Å
338	L	98.8	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.4	169.5	-171.4	70.1	0	0	0	108.6	F281 A325 M326 L328 V377 L381	F281-L338 HydrophobicContact CD2-CD1 4.32Å; A325-L338 CarbonylContact C-O 3.59Å; A325-L338 VanDerWaalsContact CA-O 3.31Å; A325-L338 WeakPolarHBondContact CA-O 3.46Å; M326-L338 HydrophobicContact CE-CD2 4.47Å; M326-L338 HydrophobicContact CG-CB 4Å; M326-L338 PolarHBondContact N-O 3.21Å; M326-L338 PolarHBondContact O-N 2.93Å; M326-L338 HydrophobicContact SD-CD2 4.34Å; L328-L338 HydrophobicContact CD2-CB 4.49Å; L338-V377 HydrophobicContact CD2-CG1 4Å; L338-V377 HydrophobicContact CD2-CG2 3.82Å; L338-L381 HydrophobicContact CD1-CB 4.29Å; L338-L381 HydrophobicContact CD1-CD1 4.1Å
339	R	98.7	Very high	98.5	Very high	53 Å²	53	54.2 Å²	54.2	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	154.1	-179.9	-65.2	-164.1	173.1	73.4	-6.5	111.9	D250 A325 I337 G379 D380	D250-R339 IonicContact OD2-CZ 3.78Å; D250-R339 IonicContact OD2-NH2 3.93Å; D250-R339 PolarHBondContact OD2-NH2 2.86Å; A325-R339 HydrophobicContact CB-CG 3.99Å; I337-R339 HydrophobicContact CG2-CG 3.84Å; R339-G379 WeakPolarHBondContact O-CA 3.45Å; R339-D380 HydrophobicContact CB-CB 4.43Å; R339-D380 PolarHBondContact N-O 3.48Å; R339-D380 PolarHBondContact O-N 2.94Å
340	N	98.4	Very high	98.5	Very high	91 Å²	91	56.3 Å²	56.3	49%	0.487	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.8	53.8	-179.7	-51.5	-49.3	0	0	0	112	R283 T324 D380	R283-N340 PolarHBondContact NH1-O 3.5Å; R283-N340 PolarHBondContact NH2-O 3.32Å; T324-N340 PolarHBondContact O-N 2.9Å; N340-D380 PolarHBondContact ND2-OD2 3Å
341	P	98.5	Very high	98.5	Very high	24 Å²	24	54.9 Å²	54.9	16%	0.156	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145	-173.5	30.1	-36.1	0	0	0	111.9	V323 M326 F343 V377 G378	V323-P341 HydrophobicContact CG2-CG 4.09Å; V323-P341 VanDerWaalsContact O-CD 3.3Å; V323-P341 WeakPolarHBondContact O-CD 3.46Å; V323-P341 WeakPolarHBondContact O-CG 3.41Å; M326-P341 HydrophobicContact CE-CB 3.35Å; M326-P341 HydrophobicContact CE-CG 3.53Å; P341-F343 HydrophobicContact CB-CE2 4.18Å; P341-F343 HydrophobicContact CG-CE2 4.41Å; P341-V377 HydrophobicContact CB-CG2 3.71Å; P341-G378 CarbonylContact C-O 3.59Å; P341-G378 VanDerWaalsContact CA-O 3.26Å; P341-G378 WeakPolarHBondContact CA-O 3.45Å
342	E	98.6	Very high	98.6	Very high	67 Å²	67	50.7 Å²	50.7	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.6	174.3	179.8	-172.8	158.5	0	0	108.7	R283 V377 G378	R283-E342 IonicContact NH1-OE2 2.78Å; E342-V377 WeakPolarHBondContact O-CA 3.36Å; E342-G378 PolarHBondContact N-O 3.32Å; E342-G378 PolarHBondContact O-N 3.03Å
343	F	98.8	Very high	98.7	Very high	27 Å²	27	49.4 Å²	49.4	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.8	-179.6	-63	-92.5	0	0	0	110.8	V312 K317 L320 M326 P341 W375 L376 V377	V312-F343 HydrophobicContact CG2-CD1 4.03Å; V312-F343 HydrophobicContact CG2-CE1 4Å; K317-F343 HydrophobicContact CB-CD1 4.12Å; K317-F343 HydrophobicContact CB-CE1 4.43Å; K317-F343 HydrophobicContact CG-CB 3.93Å; K317-F343 HydrophobicContact CG-CD1 3.68Å; K317-F343 HydrophobicContact CG-CE1 4.36Å; K317-F343 HydrophobicContact CG-CG 3.88Å; L320-F343 HydrophobicContact CB-CE1 4.44Å; L320-F343 HydrophobicContact CB-CE2 4.48Å; L320-F343 HydrophobicContact CB-CZ 3.68Å; M326-F343 HydrophobicContact CE-CE2 4.28Å; M326-F343 HydrophobicContact CE-CZ 3.68Å; P341-F343 HydrophobicContact CB-CE2 4.18Å; P341-F343 HydrophobicContact CG-CE2 4.41Å; F343-W375 HydrophobicContact CB-CE3 4.27Å; F343-L376 WeakPolarHBondContact CA-O 3.31Å; F343-V377 HydrophobicContact CD1-CB 3.82Å; F343-V377 HydrophobicContact CD1-CG2 3.9Å; F343-V377 HydrophobicContact CD2-CG2 4.48Å; F343-V377 HydrophobicContact CE1-CB 3.76Å; F343-V377 HydrophobicContact CE1-CG2 3.64Å; F343-V377 HydrophobicContact CE2-CG2 4.24Å; F343-V377 HydrophobicContact CG-CG2 4.32Å; F343-V377 HydrophobicContact CZ-CB 4.44Å; F343-V377 HydrophobicContact CZ-CG2 3.82Å
344	Y	98.9	Very high	98.7	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	164.5	-179.5	61.9	-82.4	0	0	0	111.3	M282 E284 F287 V309 L376	M282-Y344 PolarHBondContact O-OH 2.99Å; E284-Y344 HydrophobicContact CB-CD1 3.95Å; E284-Y344 HydrophobicContact CB-CD2 3.91Å; E284-Y344 HydrophobicContact CB-CE1 4.44Å; E284-Y344 HydrophobicContact CB-CE2 4.37Å; E284-Y344 HydrophobicContact CB-CG 3.68Å; E284-Y344 HydrophobicContact CG-CD2 3.87Å; E284-Y344 HydrophobicContact CG-CG 4.01Å; F287-Y344 HydrophobicContact CB-CE2 3.95Å; F287-Y344 HydrophobicContact CD1-CD2 4.33Å; F287-Y344 AromaticContact CD1-CE2 3.59Å; F287-Y344 HydrophobicContact CD1-CE2 3.59Å; F287-Y344 HydrophobicContact CE1-CE2 4.17Å; F287-Y344 AromaticContact CG-CE2 3.79Å; F287-Y344 HydrophobicContact CG-CE2 3.79Å; V309-Y344 WeakPolarHBondContact CG1-OH 3.36Å; Y344-L376 HydrophobicContact CD1-CB 4.31Å; Y344-L376 HydrophobicContact CD2-CB 4.17Å; Y344-L376 HydrophobicContact CD2-CD1 4.36Å; Y344-L376 HydrophobicContact CE1-CB 3.82Å; Y344-L376 HydrophobicContact CE2-CB 3.69Å; Y344-L376 HydrophobicContact CE2-CD1 3.49Å; Y344-L376 VanDerWaalsContact CE2-CD1 3.49Å; Y344-L376 HydrophobicContact CE2-CG 4.17Å; Y344-L376 HydrophobicContact CG-CB 4.45Å; Y344-L376 VanDerWaalsContact CZ-CB 3.48Å; Y344-L376 PolarHBondContact N-O 3.48Å; Y344-L376 PolarHBondContact O-N 3.48Å
345	Q	98.7	Very high	98.7	Very high	115 Å²	115	45 Å²	45	54%	0.537	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.2	-173.2	-68.2	-175.1	-4.1	0	0	111.8	R347 W375	Q345-R347 HydrophobicContact CB-CG 3.86Å; Q345-W375 HydrophobicContact CG-CZ3 4.42Å
346	H	98.7	Very high	98.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	20%	0.204	C	C	.	.			trans	-75.4	-30.8	179	-168.3	177.6	0	0	0	113	K348 R351 S372 G373 D374 L376	H346-K348 VanDerWaalsContact C-N 3.27Å; H346-K348 HydrophobicContact CB-CG 4.29Å; H346-K348 PolarHBondContact O-N 3.35Å; H346-K348 VanDerWaalsContact O-N 3.17Å; H346-R351 WeakPolarHBondContact NE2-CD 3.24Å; H346-R351 PolarHBondContact NE2-NH1 3.35Å; H346-S372 PolarHBondContact CE1-OG 3.12Å; H346-S372 VanDerWaalsContact CE1-OG 3.25Å; H346-G373 PolarHBondContact ND1-O 3.1Å; H346-D374 WeakPolarHBondContact CB-O 3.34Å; H346-D374 PolarHBondContact N-O 3.23Å; H346-L376 HydrophobicContact CB-CD1 4.41Å; H346-L376 HydrophobicContact CB-CD2 4.21Å; H346-L376 HydrophobicContact CB-CG 3.85Å
347	R	98.5	Very high	98.7	Very high	158 Å²	158	47.6 Å²	47.6	60%	0.596	24%	0.238	S	C	*	.			trans	42.7	52.7	-179.8	-50.6	-168.6	84.9	-169.7	9.7	112.5	Q345 E349 E350 R351	Q345-R347 HydrophobicContact CB-CG 3.86Å; R347-E349 VanDerWaalsContact C-N 3.3Å; R347-E349 PolarHBondContact O-N 3.15Å; R347-E349 VanDerWaalsContact O-N 3.11Å; R347-E350 HydrophobicContact CB-CB 4.32Å; R347-E350 IonicContact CZ-OE2 2.76Å; R347-E350 VanDerWaalsContact CZ-OE2 3.3Å; R347-E350 IonicContact NE-OE2 3.19Å; R347-E350 IonicContact NH1-OE2 3.79Å; R347-E350 PolarHBondContact NH1-OE2 2.87Å; R347-E350 WeakPolarHBondContact O-CB 3.23Å; R347-E350 PolarHBondContact O-N 2.9Å; R347-R351 PolarHBondContact O-N 2.97Å
348	K	98.8	Very high	98.7	Very high	32 Å²	32	48.8 Å²	48.8	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-48.8	-43.7	-167	-67	163.4	173.3	169.7	0	114.4	H346 R351 C352 V369 M370 S372 G373 D374	H346-K348 VanDerWaalsContact C-N 3.27Å; H346-K348 HydrophobicContact CB-CG 4.29Å; H346-K348 PolarHBondContact O-N 3.35Å; H346-K348 VanDerWaalsContact O-N 3.17Å; K348-R351 PolarHBondContact O-N 3.4Å; K348-C352 VanDerWaalsContact O-CB 3.29Å; K348-C352 WeakPolarHBondContact O-CB 3.18Å; K348-C352 PolarHBondContact O-N 3.35Å; K348-C352 PolarHBondContact O-SG 2.96Å; K348-V369 HydrophobicContact CB-CG1 4.49Å; K348-V369 WeakPolarHBondContact CE-O 3.41Å; K348-V369 HydrophobicContact CG-CG1 4.36Å; K348-M370 HydrophobicContact CB-SD 3.79Å; K348-M370 PolarHBondContact NZ-O 2.84Å; K348-M370 VanDerWaalsContact NZ-O 3.17Å; K348-S372 VanDerWaalsContact CE-O 3.29Å; K348-S372 WeakPolarHBondContact CE-O 3.48Å; K348-S372 PolarHBondContact NZ-O 3.04Å; K348-G373 WeakPolarHBondContact CE-O 3.47Å; K348-D374 WeakPolarHBondContact CE-OD1 3.23Å; K348-D374 IonicContact NZ-OD1 3.43Å; K348-D374 PolarHBondContact NZ-OD1 2.96Å
349	E	98.8	Very high	98.7	Very high	135 Å²	135	51.4 Å²	51.4	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-62	-47.2	179.1	-175.2	179	-158	0	0	112	R347 C352 A353 T359	R347-E349 VanDerWaalsContact C-N 3.3Å; R347-E349 PolarHBondContact O-N 3.15Å; R347-E349 VanDerWaalsContact O-N 3.11Å; E349-C352 PolarHBondContact O-N 3.07Å; E349-A353 WeakPolarHBondContact O-CB 3.29Å; E349-A353 PolarHBondContact O-N 3.48Å; E349-T359 HydrophobicContact CG-CG2 3.91Å; E349-T359 WeakPolarHBondContact O-CG2 3.49Å
350	E	98.8	Very high	98.7	Very high	52 Å²	52	49.9 Å²	49.9	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-46.7	177.4	177.2	174.2	-163.5	0	0	111.1	R347 C352 A353 R354	R347-E350 HydrophobicContact CB-CB 4.32Å; R347-E350 IonicContact CZ-OE2 2.76Å; R347-E350 VanDerWaalsContact CZ-OE2 3.3Å; R347-E350 IonicContact NE-OE2 3.19Å; R347-E350 IonicContact NH1-OE2 3.79Å; R347-E350 PolarHBondContact NH1-OE2 2.87Å; R347-E350 WeakPolarHBondContact O-CB 3.23Å; R347-E350 PolarHBondContact O-N 2.9Å; E350-C352 VanDerWaalsContact C-N 3.32Å; E350-C352 PolarHBondContact O-N 2.89Å; E350-A353 PolarHBondContact O-N 3.46Å; E350-R354 WeakPolarHBondContact O-CG 3.36Å; E350-R354 PolarHBondContact O-N 3.45Å; E350-R354 IonicContact OE1-CZ 3.47Å; E350-R354 VanDerWaalsContact OE1-CZ 3.29Å; E350-R354 IonicContact OE1-NE 2.84Å; E350-R354 PolarHBondContact OE1-NE 3.37Å; E350-R354 IonicContact OE1-NH2 3.12Å; E350-R354 PolarHBondContact OE1-NH2 3Å
351	R	98.8	Very high	98.6	Very high	11 Å²	11	52.3 Å²	52.3	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-53.5	-52.3	174.6	178	-170.2	170.1	171.5	5.2	110.3	F287 L291 V309 H346 R347 K348 A353 R354 Q355	F287-R351 HydrophobicContact CE2-CG 4.31Å; F287-R351 HydrophobicContact CZ-CB 4.36Å; F287-R351 HydrophobicContact CZ-CG 4.32Å; L291-R351 HydrophobicContact CD1-CB 4.45Å; L291-R351 HydrophobicContact CD2-CG 4.35Å; V309-R351 VanDerWaalsContact CG2-NH1 3.27Å; H346-R351 WeakPolarHBondContact NE2-CD 3.24Å; H346-R351 PolarHBondContact NE2-NH1 3.35Å; R347-R351 PolarHBondContact O-N 2.97Å; K348-R351 PolarHBondContact O-N 3.4Å; R351-A353 PolarHBondContact O-N 3.47Å; R351-R354 PolarHBondContact O-N 3.23Å; R351-Q355 VanDerWaalsContact O-CB 3.22Å; R351-Q355 WeakPolarHBondContact O-CB 3.24Å; R351-Q355 PolarHBondContact O-N 3.28Å
352	C	98.8	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-45.4	-176.8	-71.9	0	0	0	0	111.7	K348 E349 E350 R354 Q355 W356 T358 T359 I366	K348-C352 VanDerWaalsContact O-CB 3.29Å; K348-C352 WeakPolarHBondContact O-CB 3.18Å; K348-C352 PolarHBondContact O-N 3.35Å; K348-C352 PolarHBondContact O-SG 2.96Å; E349-C352 PolarHBondContact O-N 3.07Å; E350-C352 VanDerWaalsContact C-N 3.32Å; E350-C352 PolarHBondContact O-N 2.89Å; C352-R354 VanDerWaalsContact C-N 3.34Å; C352-R354 PolarHBondContact O-N 3.36Å; C352-Q355 PolarHBondContact O-N 3.5Å; C352-W356 HydrophobicContact CB-CE3 4.27Å; C352-W356 PolarHBondContact O-N 3.35Å; C352-T358 CarbonylContact C-O 3.59Å; C352-T358 VanDerWaalsContact O-O 3.07Å; C352-T359 HydrophobicContact CB-CG2 4.34Å; C352-I366 HydrophobicContact CB-CD1 4.34Å; C352-I366 HydrophobicContact CB-CG1 4.44Å; C352-I366 HydrophobicContact CB-CG2 4.35Å
353	A	98.8	Very high	98.5	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-44.5	178.1	0	0	0	0	0	112.2	E349 E350 R351 G357 T359	E349-A353 WeakPolarHBondContact O-CB 3.29Å; E349-A353 PolarHBondContact O-N 3.48Å; E350-A353 PolarHBondContact O-N 3.46Å; R351-A353 PolarHBondContact O-N 3.47Å; A353-G357 WeakPolarHBondContact O-CA 3.38Å; A353-G357 PolarHBondContact O-N 2.91Å; A353-T359 HydrophobicContact CB-CG2 3.73Å
354	R	98.8	Very high	98.5	Very high	113 Å²	113	53.7 Å²	53.7	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-72.8	-46	-179.7	-67.1	-176.7	-170.2	-63.6	-4.2	112.3	L291 H292 E350 R351 C352	L291-R354 HydrophobicContact CD2-CB 4.24Å; H292-R354 PolarHBondContact CE1-NE 3.13Å; E350-R354 WeakPolarHBondContact O-CG 3.36Å; E350-R354 PolarHBondContact O-N 3.45Å; E350-R354 IonicContact OE1-CZ 3.47Å; E350-R354 VanDerWaalsContact OE1-CZ 3.29Å; E350-R354 IonicContact OE1-NE 2.84Å; E350-R354 PolarHBondContact OE1-NE 3.37Å; E350-R354 IonicContact OE1-NH2 3.12Å; E350-R354 PolarHBondContact OE1-NH2 3Å; R351-R354 PolarHBondContact O-N 3.23Å; C352-R354 VanDerWaalsContact C-N 3.34Å; C352-R354 PolarHBondContact O-N 3.36Å
355	Q	98.9	Very high	98.5	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-38.6	-174.2	178.8	174.9	0.4	0	0	112.6	L291 R351 C352 M496 T501	L291-Q355 HydrophobicContact CD2-CB 4.38Å; R351-Q355 VanDerWaalsContact O-CB 3.22Å; R351-Q355 WeakPolarHBondContact O-CB 3.24Å; R351-Q355 PolarHBondContact O-N 3.28Å; C352-Q355 PolarHBondContact O-N 3.5Å; Q355-M496 PolarHBondContact NE2-SD 3.34Å; Q355-M496 VanDerWaalsContact NE2-SD 3.38Å; Q355-T501 WeakPolarHBondContact O-CB 3.5Å; Q355-T501 PolarHBondContact O-OG1 3.36Å
356	W	98.9	Very high	98.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-107.9	-12	-177	-74.3	-93.1	0	0	0	114.4	C352 T358 H363 Y365 I366 V369 M496 A498 Y537	C352-W356 HydrophobicContact CB-CE3 4.27Å; C352-W356 PolarHBondContact O-N 3.35Å; W356-T358 HydrophobicContact CB-CG2 3.99Å; W356-T358 PolarHBondContact O-N 3.33Å; W356-H363 AromaticContact CD1-CD2 3.98Å; W356-H363 AromaticContact CD1-CE1 3.71Å; W356-H363 AromaticContact CD1-NE2 3.42Å; W356-H363 AromaticContact NE1-CE1 3.37Å; W356-H363 PolarHBondContact NE1-CE1 2.62Å; W356-H363 AromaticContact NE1-NE2 3.53Å; W356-Y365 AromaticContact CH2-CD1 3.64Å; W356-Y365 HydrophobicContact CH2-CD1 3.64Å; W356-Y365 HydrophobicContact CH2-CE1 4.07Å; W356-Y365 AromaticContact CZ2-CD1 3.33Å; W356-Y365 HydrophobicContact CZ2-CD1 3.33Å; W356-Y365 HydrophobicContact CZ2-CE1 4.04Å; W356-Y365 AromaticContact CZ2-CG 3.91Å; W356-Y365 HydrophobicContact CZ2-CG 3.91Å; W356-I366 HydrophobicContact CB-CD1 3.96Å; W356-I366 HydrophobicContact CD2-CD1 4.07Å; W356-I366 HydrophobicContact CD2-CG1 3.76Å; W356-I366 HydrophobicContact CE3-CD1 4.3Å; W356-I366 HydrophobicContact CE3-CG1 3.92Å; W356-I366 HydrophobicContact CG-CD1 3.92Å; W356-I366 HydrophobicContact CG-CG1 4.07Å; W356-I366 HydrophobicContact CZ3-CG1 4.37Å; W356-V369 HydrophobicContact CH2-CG2 4.03Å; W356-M496 HydrophobicContact CZ2-CB 4.06Å; W356-M496 HydrophobicContact CZ2-CG 4.32Å; W356-M496 PolarHBondContact NE1-O 3.45Å; W356-A498 HydrophobicContact CD2-CB 4.44Å; W356-A498 HydrophobicContact CG-CB 4.09Å; W356-Y537 VanDerWaalsContact O-CE1 3.24Å; W356-Y537 WeakPolarHBondContact O-CE1 3.36Å; W356-Y537 PolarHBondContact O-OH 3.35Å
357	G	98.6	Very high	98.5	Very high	69 Å²	69	53.2 Å²	53.2	71%	0.711	27%	0.271	S	S	*	.	S	Bend	trans	70.2	12.4	-169.8	0	0	0	0	0	113.6	A353	A353-G357 WeakPolarHBondContact O-CA 3.38Å; A353-G357 PolarHBondContact O-N 2.91Å
358	T	98.6	Very high	98.5	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.147	25%	0.254	C	S	.	.			trans	-155.9	157.2	179	-176.1	0	0	0	0	110.2	C352 W356 C360 I366 L536	C352-T358 CarbonylContact C-O 3.59Å; C352-T358 VanDerWaalsContact O-O 3.07Å; W356-T358 HydrophobicContact CB-CG2 3.99Å; W356-T358 PolarHBondContact O-N 3.33Å; T358-C360 PolarHBondContact OG1-N 2.82Å; T358-I366 HydrophobicContact CG2-CD1 4.04Å; T358-I366 WeakPolarHBondContact O-CD1 3.47Å; T358-L536 HydrophobicContact CG2-CD1 3.93Å; T358-L536 HydrophobicContact CG2-CD2 4.19Å
359	T	98.5	Very high	98.5	Very high	56 Å²	56	46.6 Å²	46.6	34%	0.344	25%	0.249	S	C	.	.			trans	-115.2	18	172.9	55.4	0	0	0	0	112.1	E349 C352 A353 K361	E349-T359 HydrophobicContact CG-CG2 3.91Å; E349-T359 WeakPolarHBondContact O-CG2 3.49Å; C352-T359 HydrophobicContact CB-CG2 4.34Å; A353-T359 HydrophobicContact CB-CG2 3.73Å; T359-K361 PolarHBondContact O-N 2.86Å
360	C	98.2	Very high	98.5	Very high	20 Å²	20	43 Å²	43	14%	0.135	23%	0.233	C	C	.	.			trans	-57	112.3	-179	-178	0	0	0	0	111.3	T358 D362 H363	T358-C360 PolarHBondContact OG1-N 2.82Å; C360-D362 PolarHBondContact O-N 2.83Å; C360-H363 VanDerWaalsContact O-CB 3.28Å; C360-H363 WeakPolarHBondContact O-CB 3.48Å; C360-H363 PolarHBondContact O-N 3.22Å
361	K	96.1	Very high	98.4	Very high	142 Å²	142	46.9 Å²	46.9	62%	0.617	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.9	-176.8	-64.9	-176.8	179.9	-179.6	0	113.8	T359 H363 K367	T359-K361 PolarHBondContact O-N 2.86Å; K361-H363 VanDerWaalsContact C-N 3.28Å; K361-K367 WeakPolarHBondContact O-CB 3.43Å
362	D	97.5	Very high	98.4	Very high	117 Å²	117	47.9 Å²	47.9	63%	0.626	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.3	177.2	-58.4	-39.9	0	0	0	112.7	C360 P530	C360-D362 PolarHBondContact O-N 2.83Å; D362-P530 HydrophobicContact CB-CB 3.65Å; D362-P530 HydrophobicContact CB-CG 4.29Å
363	H	98.7	Very high	98.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-67.1	125.7	168.6	175.9	-58.1	0	0	0	107.8	W356 C360 K361 Y365 I366 K367 M496 Y497 P530	W356-H363 AromaticContact CD1-CD2 3.98Å; W356-H363 AromaticContact CD1-CE1 3.71Å; W356-H363 AromaticContact CD1-NE2 3.42Å; W356-H363 AromaticContact NE1-CE1 3.37Å; W356-H363 PolarHBondContact NE1-CE1 2.62Å; W356-H363 AromaticContact NE1-NE2 3.53Å; C360-H363 VanDerWaalsContact O-CB 3.28Å; C360-H363 WeakPolarHBondContact O-CB 3.48Å; C360-H363 PolarHBondContact O-N 3.22Å; K361-H363 VanDerWaalsContact C-N 3.28Å; H363-Y365 PolarHBondContact ND1-N 3.4Å; H363-Y365 PolarHBondContact O-N 3.38Å; H363-I366 HydrophobicContact CB-CB 3.98Å; H363-I366 HydrophobicContact CB-CD1 3.86Å; H363-I366 HydrophobicContact CB-CG1 4.01Å; H363-I366 PolarHBondContact ND1-N 3.34Å; H363-I366 PolarHBondContact O-N 3.11Å; H363-I366 VanDerWaalsContact O-N 3.16Å; H363-K367 PolarHBondContact O-N 2.73Å; H363-M496 PolarHBondContact CE1-O 3.02Å; H363-Y497 PolarHBondContact NE2-O 3.3Å; H363-P530 HydrophobicContact CB-CG 4.22Å
364	P	98.4	Very high	98.4	Very high	31 Å²	31	51.1 Å²	51.1	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-33.6	-161.6	28.9	-38.5	0	0	0	113.3	W457 K459 M527	P364-W457 HydrophobicContact CB-CH2 3.83Å; P364-W457 HydrophobicContact CB-CZ2 4.32Å; P364-W457 HydrophobicContact CG-CH2 4.17Å; P364-K459 HydrophobicContact CB-CB 4.1Å; P364-K459 HydrophobicContact CG-CB 3.8Å; P364-K459 HydrophobicContact CG-CD 4.18Å; P364-M527 HydrophobicContact CG-CE 4.31Å; P364-M527 HydrophobicContact CG-SD 4.23Å
365	Y	98.8	Very high	98.4	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-74.8	-44.5	172.7	-156	-74.7	0	0	0	113.1	L262 W266 W356 H363 K367 M368 V369 W457 P494 M495 M496	L262-Y365 HydrophobicContact CD1-CE2 4.08Å; L262-Y365 HydrophobicContact CD2-CE2 4.49Å; W266-Y365 PolarHBondContact NE1-OH 3.18Å; W356-Y365 AromaticContact CH2-CD1 3.64Å; W356-Y365 HydrophobicContact CH2-CD1 3.64Å; W356-Y365 HydrophobicContact CH2-CE1 4.07Å; W356-Y365 AromaticContact CZ2-CD1 3.33Å; W356-Y365 HydrophobicContact CZ2-CD1 3.33Å; W356-Y365 HydrophobicContact CZ2-CE1 4.04Å; W356-Y365 AromaticContact CZ2-CG 3.91Å; W356-Y365 HydrophobicContact CZ2-CG 3.91Å; H363-Y365 PolarHBondContact ND1-N 3.4Å; H363-Y365 PolarHBondContact O-N 3.38Å; Y365-K367 PolarHBondContact O-N 3.38Å; Y365-M368 HydrophobicContact CD2-CE 3.55Å; Y365-M368 HydrophobicContact CE2-CE 3.94Å; Y365-M368 HydrophobicContact CG-CE 3.9Å; Y365-M368 WeakPolarHBondContact O-CB 3.29Å; Y365-M368 PolarHBondContact O-N 2.77Å; Y365-M368 VanDerWaalsContact O-N 3.09Å; Y365-V369 HydrophobicContact CD1-CG2 3.82Å; Y365-V369 HydrophobicContact CE1-CG2 3.85Å; Y365-V369 PolarHBondContact O-N 2.72Å; Y365-W457 AromaticContact CD2-CE3 3.79Å; Y365-W457 HydrophobicContact CD2-CE3 3.79Å; Y365-W457 AromaticContact CD2-CZ3 3.64Å; Y365-W457 HydrophobicContact CD2-CZ3 3.64Å; Y365-W457 HydrophobicContact CE2-CE3 4.31Å; Y365-W457 HydrophobicContact CG-CZ3 4.37Å; Y365-P494 HydrophobicContact CE2-CB 4.01Å; Y365-M495 VanDerWaalsContact CD2-O 3.26Å; Y365-M495 WeakPolarHBondContact CD2-O 3.27Å; Y365-M496 HydrophobicContact CD1-CG 4.32Å; Y365-M496 HydrophobicContact CD2-CB 4.36Å; Y365-M496 HydrophobicContact CD2-CG 3.98Å; Y365-M496 HydrophobicContact CE1-CG 4.1Å; Y365-M496 HydrophobicContact CE2-CG 3.74Å; Y365-M496 HydrophobicContact CG-CB 4.44Å; Y365-M496 HydrophobicContact CG-CG 4.25Å
366	I	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.3	-42	172.6	-65.6	-177.9	0	0	0	110.7	C352 W356 T358 H363 M368 V369 M370	C352-I366 HydrophobicContact CB-CD1 4.34Å; C352-I366 HydrophobicContact CB-CG1 4.44Å; C352-I366 HydrophobicContact CB-CG2 4.35Å; W356-I366 HydrophobicContact CB-CD1 3.96Å; W356-I366 HydrophobicContact CD2-CD1 4.07Å; W356-I366 HydrophobicContact CD2-CG1 3.76Å; W356-I366 HydrophobicContact CE3-CD1 4.3Å; W356-I366 HydrophobicContact CE3-CG1 3.92Å; W356-I366 HydrophobicContact CG-CD1 3.92Å; W356-I366 HydrophobicContact CG-CG1 4.07Å; W356-I366 HydrophobicContact CZ3-CG1 4.37Å; T358-I366 HydrophobicContact CG2-CD1 4.04Å; T358-I366 WeakPolarHBondContact O-CD1 3.47Å; H363-I366 HydrophobicContact CB-CB 3.98Å; H363-I366 HydrophobicContact CB-CD1 3.86Å; H363-I366 HydrophobicContact CB-CG1 4.01Å; H363-I366 PolarHBondContact ND1-N 3.34Å; H363-I366 PolarHBondContact O-N 3.11Å; H363-I366 VanDerWaalsContact O-N 3.16Å; I366-M368 VanDerWaalsContact C-N 3.34Å; I366-M368 PolarHBondContact O-N 3.07Å; I366-V369 CarbonylContact O-C 3.18Å; I366-V369 WeakPolarHBondContact O-CA 3.31Å; I366-V369 WeakPolarHBondContact O-CB 3.37Å; I366-V369 PolarHBondContact O-N 2.83Å; I366-M370 HydrophobicContact CG2-CG 3.96Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.38Å; I366-M370 PolarHBondContact O-N 2.93Å
367	K	98.6	Very high	98.4	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-52	-51.3	175.3	-173.6	179.1	172.3	-177.2	0	111.9	K361 H363 Y365 V369 M370 E371	K361-K367 WeakPolarHBondContact O-CB 3.43Å; H363-K367 PolarHBondContact O-N 2.73Å; Y365-K367 PolarHBondContact O-N 3.38Å; K367-V369 VanDerWaalsContact C-N 3.32Å; K367-V369 PolarHBondContact O-N 3.03Å; K367-M370 PolarHBondContact O-N 2.65Å; K367-M370 VanDerWaalsContact O-N 3.17Å; K367-E371 WeakPolarHBondContact CE-OE1 3.46Å; K367-E371 WeakPolarHBondContact CG-OE1 3.46Å; K367-E371 WeakPolarHBondContact O-CG 3.41Å; K367-E371 PolarHBondContact O-N 2.89Å
368	M	98.6	Very high	98.4	Very high	46 Å²	46	45.3 Å²	45.3	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-38.6	176.6	-62.7	-172.5	-67.9	0	0	112.4	L262 Y365 I366 E371 S372 W457	L262-M368 HydrophobicContact CD1-CE 4.41Å; L262-M368 HydrophobicContact CD2-CE 4.03Å; L262-M368 HydrophobicContact CD2-SD 4.06Å; Y365-M368 HydrophobicContact CD2-CE 3.55Å; Y365-M368 HydrophobicContact CE2-CE 3.94Å; Y365-M368 HydrophobicContact CG-CE 3.9Å; Y365-M368 WeakPolarHBondContact O-CB 3.29Å; Y365-M368 PolarHBondContact O-N 2.77Å; Y365-M368 VanDerWaalsContact O-N 3.09Å; I366-M368 VanDerWaalsContact C-N 3.34Å; I366-M368 PolarHBondContact O-N 3.07Å; M368-E371 PolarHBondContact O-N 2.9Å; M368-S372 WeakPolarHBondContact O-CB 3.3Å; M368-S372 PolarHBondContact O-N 2.67Å; M368-W457 HydrophobicContact CE-CD2 3.51Å; M368-W457 VanDerWaalsContact CE-CE2 3.42Å; M368-W457 HydrophobicContact CE-CE3 3.63Å; M368-W457 HydrophobicContact CE-CG 4.22Å; M368-W457 HydrophobicContact CE-CH2 3.62Å; M368-W457 HydrophobicContact CE-CZ2 3.5Å; M368-W457 VanDerWaalsContact CE-CZ2 3.5Å; M368-W457 HydrophobicContact CE-CZ3 3.68Å; M368-W457 HydrophobicContact SD-CD2 4.25Å; M368-W457 HydrophobicContact SD-CZ2 4.03Å
369	V	98.6	Very high	98.4	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-42.9	175.1	174.6	0	0	0	0	111	K348 W356 Y365 I366 K367 E371 S372	K348-V369 HydrophobicContact CB-CG1 4.49Å; K348-V369 WeakPolarHBondContact CE-O 3.41Å; K348-V369 HydrophobicContact CG-CG1 4.36Å; W356-V369 HydrophobicContact CH2-CG2 4.03Å; Y365-V369 HydrophobicContact CD1-CG2 3.82Å; Y365-V369 HydrophobicContact CE1-CG2 3.85Å; Y365-V369 PolarHBondContact O-N 2.72Å; I366-V369 CarbonylContact O-C 3.18Å; I366-V369 WeakPolarHBondContact O-CA 3.31Å; I366-V369 WeakPolarHBondContact O-CB 3.37Å; I366-V369 PolarHBondContact O-N 2.83Å; K367-V369 VanDerWaalsContact C-N 3.32Å; K367-V369 PolarHBondContact O-N 3.03Å; V369-E371 VanDerWaalsContact C-N 3.33Å; V369-E371 PolarHBondContact O-N 2.74Å; V369-S372 PolarHBondContact O-N 3.43Å; V369-S372 PolarHBondContact O-OG 2.99Å
370	M	98.5	Very high	98.4	Very high	60 Å²	60	44 Å²	44	30%	0.296	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-35.8	-180	-63.9	-59	-92.1	0	0	112	K348 I366 K367 S372	K348-M370 HydrophobicContact CB-SD 3.79Å; K348-M370 PolarHBondContact NZ-O 2.84Å; K348-M370 VanDerWaalsContact NZ-O 3.17Å; I366-M370 HydrophobicContact CG2-CG 3.96Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.38Å; I366-M370 PolarHBondContact O-N 2.93Å; K367-M370 PolarHBondContact O-N 2.65Å; K367-M370 VanDerWaalsContact O-N 3.17Å; M370-S372 VanDerWaalsContact C-N 3.35Å
371	E	98.1	Very high	98.4	Very high	133 Å²	133	43.3 Å²	43.3	62%	0.621	22%	0.217	S	C	*	.	H	α-helix	trans	-77	-16.2	176.9	-70.1	170	179.8	0	0	113.8	K367 M368 V369	K367-E371 WeakPolarHBondContact CE-OE1 3.46Å; K367-E371 WeakPolarHBondContact CG-OE1 3.46Å; K367-E371 WeakPolarHBondContact O-CG 3.41Å; K367-E371 PolarHBondContact O-N 2.89Å; M368-E371 PolarHBondContact O-N 2.9Å; V369-E371 VanDerWaalsContact C-N 3.33Å; V369-E371 PolarHBondContact O-N 2.74Å
372	S	98.1	Very high	98.5	Very high	32 Å²	32	40.1 Å²	40.1	22%	0.224	20%	0.204	C	C	.	.	S	Bend	trans	-73.4	-177.9	179.5	75.5	0	0	0	0	113.5	H346 K348 M368 V369 M370	H346-S372 PolarHBondContact CE1-OG 3.12Å; H346-S372 VanDerWaalsContact CE1-OG 3.25Å; K348-S372 VanDerWaalsContact CE-O 3.29Å; K348-S372 WeakPolarHBondContact CE-O 3.48Å; K348-S372 PolarHBondContact NZ-O 3.04Å; M368-S372 WeakPolarHBondContact O-CB 3.3Å; M368-S372 PolarHBondContact O-N 2.67Å; V369-S372 PolarHBondContact O-N 3.43Å; V369-S372 PolarHBondContact O-OG 2.99Å; M370-S372 VanDerWaalsContact C-N 3.35Å
373	G	97.9	Very high	98.6	Very high	15 Å²	15	34.5 Å²	34.5	16%	0.155	17%	0.174	C	C	.	.			trans	-67.6	158.8	177.5	0	0	0	0	0	114.9	V312 H346 K348 W375	V312-G373 CarbonylContact O-C 3.45Å; V312-G373 VanDerWaalsContact O-CA 3.26Å; V312-G373 WeakPolarHBondContact O-CA 3.37Å; H346-G373 PolarHBondContact ND1-O 3.1Å; K348-G373 WeakPolarHBondContact CE-O 3.47Å; G373-W375 VanDerWaalsContact C-N 3.33Å
374	D	98.5	Very high	98.6	Very high	94 Å²	94	34.8 Å²	34.8	50%	0.503	18%	0.175	S	C	.	.	S	Bend	trans	-84.6	-8.5	-179.6	-66.6	-34.5	0	0	0	113.8	V312 H346 K348	V312-D374 PolarHBondContact O-N 3.32Å; H346-D374 WeakPolarHBondContact CB-O 3.34Å; H346-D374 PolarHBondContact N-O 3.23Å; K348-D374 WeakPolarHBondContact CE-OD1 3.23Å; K348-D374 IonicContact NZ-OD1 3.43Å; K348-D374 PolarHBondContact NZ-OD1 2.96Å
375	W	98.8	Very high	98.6	Very high	64 Å²	64	36.9 Å²	36.9	24%	0.242	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150.3	175.8	-66.7	88.6	0	0	0	110.4	P311 V312 K317 F343 Q345 G373	P311-W375 CarbonylContact C-O 3.57Å; P311-W375 VanDerWaalsContact CA-O 3.3Å; P311-W375 WeakPolarHBondContact CA-O 3.36Å; V312-W375 HydrophobicContact CG2-CB 3.78Å; V312-W375 PolarHBondContact N-O 3.41Å; V312-W375 PolarHBondContact O-N 2.99Å; K317-W375 HydrophobicContact CB-CB 4.25Å; K317-W375 HydrophobicContact CB-CD2 4.33Å; K317-W375 HydrophobicContact CB-CG 3.91Å; K317-W375 HydrophobicContact CD-CD2 4.13Å; K317-W375 HydrophobicContact CD-CE3 4.43Å; K317-W375 HydrophobicContact CD-CZ2 4.21Å; K317-W375 HydrophobicContact CG-CB 4.34Å; K317-W375 HydrophobicContact CG-CD2 3.75Å; K317-W375 HydrophobicContact CG-CE3 4.08Å; K317-W375 HydrophobicContact CG-CG 3.84Å; F343-W375 HydrophobicContact CB-CE3 4.27Å; Q345-W375 HydrophobicContact CG-CZ3 4.42Å; G373-W375 VanDerWaalsContact C-N 3.33Å
376	L	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.3	165.9	-63.6	178.4	0	0	0	108.5	F287 V309 L310 P311 F343 Y344 H346	F287-L376 HydrophobicContact CD2-CD1 4.22Å; F287-L376 HydrophobicContact CE1-CD1 4.35Å; F287-L376 HydrophobicContact CE2-CD1 3.92Å; F287-L376 HydrophobicContact CZ-CD1 3.96Å; V309-L376 HydrophobicContact CB-CD1 4.04Å; V309-L376 HydrophobicContact CB-CD2 3.88Å; V309-L376 HydrophobicContact CB-CG 4.41Å; V309-L376 HydrophobicContact CG1-CD1 4Å; V309-L376 HydrophobicContact CG2-CD1 4.09Å; V309-L376 HydrophobicContact CG2-CD2 3.67Å; V309-L376 HydrophobicContact CG2-CG 4.49Å; L310-L376 WeakPolarHBondContact O-CA 3.13Å; P311-L376 HydrophobicContact CB-CD2 3.99Å; F343-L376 WeakPolarHBondContact CA-O 3.31Å; Y344-L376 HydrophobicContact CD1-CB 4.31Å; Y344-L376 HydrophobicContact CD2-CB 4.17Å; Y344-L376 HydrophobicContact CD2-CD1 4.36Å; Y344-L376 HydrophobicContact CE1-CB 3.82Å; Y344-L376 HydrophobicContact CE2-CB 3.69Å; Y344-L376 HydrophobicContact CE2-CD1 3.49Å; Y344-L376 VanDerWaalsContact CE2-CD1 3.49Å; Y344-L376 HydrophobicContact CE2-CG 4.17Å; Y344-L376 HydrophobicContact CG-CB 4.45Å; Y344-L376 VanDerWaalsContact CZ-CB 3.48Å; Y344-L376 PolarHBondContact N-O 3.48Å; Y344-L376 PolarHBondContact O-N 3.48Å; H346-L376 HydrophobicContact CB-CD1 4.41Å; H346-L376 HydrophobicContact CB-CD2 4.21Å; H346-L376 HydrophobicContact CB-CG 3.85Å
377	V	98.8	Very high	98.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.2	170.7	66.2	0	0	0	0	110.3	L310 V312 M326 L338 P341 E342 F343	L310-V377 HydrophobicContact CB-CG1 3.9Å; L310-V377 HydrophobicContact CD2-CG1 3.68Å; L310-V377 HydrophobicContact CG-CG1 3.85Å; L310-V377 PolarHBondContact O-N 3.15Å; V312-V377 HydrophobicContact CG1-CG1 3.82Å; M326-V377 HydrophobicContact CE-CG2 4.06Å; L338-V377 HydrophobicContact CD2-CG1 4Å; L338-V377 HydrophobicContact CD2-CG2 3.82Å; P341-V377 HydrophobicContact CB-CG2 3.71Å; E342-V377 WeakPolarHBondContact O-CA 3.36Å; F343-V377 HydrophobicContact CD1-CB 3.82Å; F343-V377 HydrophobicContact CD1-CG2 3.9Å; F343-V377 HydrophobicContact CD2-CG2 4.48Å; F343-V377 HydrophobicContact CE1-CB 3.76Å; F343-V377 HydrophobicContact CE1-CG2 3.64Å; F343-V377 HydrophobicContact CE2-CG2 4.24Å; F343-V377 HydrophobicContact CG-CG2 4.32Å; F343-V377 HydrophobicContact CZ-CB 4.44Å; F343-V377 HydrophobicContact CZ-CG2 3.82Å
378	G	98.8	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.3	172.2	0	0	0	0	0	111.2	F281 M282 P341 E342	F281-G378 VanDerWaalsContact O-CA 3.3Å; F281-G378 WeakPolarHBondContact O-CA 3.14Å; M282-G378 WeakPolarHBondContact O-CA 3.36Å; P341-G378 CarbonylContact C-O 3.59Å; P341-G378 VanDerWaalsContact CA-O 3.26Å; P341-G378 WeakPolarHBondContact CA-O 3.45Å; E342-G378 PolarHBondContact N-O 3.32Å; E342-G378 PolarHBondContact O-N 3.03Å
379	G	98.6	Very high	98.5	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	177.8	-179.8	0	0	0	0	0	113.9	G280 F281 R339 L381	G280-G379 WeakPolarHBondContact CA-O 3.24Å; F281-G379 PolarHBondContact O-N 3.21Å; F281-G379 VanDerWaalsContact O-N 3.08Å; R339-G379 WeakPolarHBondContact O-CA 3.45Å; G379-L381 PolarHBondContact O-N 3.33Å
380	D	98.8	Very high	98.5	Very high	50 Å²	50	48.1 Å²	48.1	27%	0.267	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.8	179.4	-47.2	-47.6	0	0	0	108.8	N279 R283 R339 N340	N279-D380 CarbonylContact O-C 3.27Å; R283-D380 IonicContact NH2-OD1 2.71Å; R283-D380 IonicContact NH2-OD2 3.33Å; R339-D380 HydrophobicContact CB-CB 4.43Å; R339-D380 PolarHBondContact N-O 3.48Å; R339-D380 PolarHBondContact O-N 2.94Å; N340-D380 PolarHBondContact ND2-OD2 3Å
381	L	98.9	Very high	98.4	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.8	-174.6	-170.7	70.4	0	0	0	110.2	L237 V267 L270 N279 G280 F281 L328 A336 L338 G379 V383	L237-L381 HydrophobicContact CD1-CB 4.24Å; V267-L381 HydrophobicContact CG1-CD2 4.42Å; L270-L381 HydrophobicContact CB-CD2 3.97Å; L270-L381 HydrophobicContact CD1-CD2 3.79Å; N279-L381 PolarHBondContact O-N 2.93Å; G280-L381 VanDerWaalsContact CA-CB 3.45Å; F281-L381 HydrophobicContact CD2-CD1 4.41Å; F281-L381 HydrophobicContact CD2-CD2 4.49Å; F281-L381 HydrophobicContact CE2-CD1 4.26Å; F281-L381 HydrophobicContact CE2-CD2 4.2Å; L328-L381 HydrophobicContact CD1-CD1 3.82Å; A336-L381 HydrophobicContact CB-CD1 3.78Å; A336-L381 HydrophobicContact CB-CG 4.46Å; L338-L381 HydrophobicContact CD1-CB 4.29Å; L338-L381 HydrophobicContact CD1-CD1 4.1Å; G379-L381 PolarHBondContact O-N 3.33Å; L381-V383 HydrophobicContact CD2-CG2 3.8Å; L381-V383 HydrophobicContact CG-CG2 3.92Å
382	Q	98.7	Very high	98.5	Very high	75 Å²	75	44.9 Å²	44.9	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.4	167.3	-72	-173.4	8.3	0	0	109	V239 A336 I337	V239-Q382 HydrophobicContact CG2-CB 3.87Å; A336-Q382 CarbonylContact C-O 3.24Å; A336-Q382 WeakPolarHBondContact CA-O 3.33Å; A336-Q382 WeakPolarHBondContact CB-O 3.28Å; I337-Q382 PolarHBondContact N-O 3.13Å; I337-Q382 PolarHBondContact O-N 3.45Å
383	V	98.8	Very high	98.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.2	-179.3	-174.9	0	0	0	0	108.9	L237 Y238 V239 V267 A271 A336 L381 I387	L237-V383 PolarHBondContact O-N 2.89Å; Y238-V383 CarbonylContact C-O 3.56Å; Y238-V383 WeakPolarHBondContact CA-O 3.36Å; Y238-V383 HydrophobicContact CD1-CB 3.86Å; Y238-V383 HydrophobicContact CD1-CG1 3.76Å; Y238-V383 HydrophobicContact CE1-CB 4.12Å; Y238-V383 HydrophobicContact CE1-CG1 3.57Å; V239-V383 PolarHBondContact N-O 2.71Å; V267-V383 HydrophobicContact CG1-CG1 4.09Å; V267-V383 HydrophobicContact CG1-CG2 3.77Å; A271-V383 HydrophobicContact CB-CB 3.91Å; A271-V383 HydrophobicContact CB-CG1 3.95Å; A271-V383 HydrophobicContact CB-CG2 3.72Å; A336-V383 HydrophobicContact CB-CG2 4.19Å; L381-V383 HydrophobicContact CD2-CG2 3.8Å; L381-V383 HydrophobicContact CG-CG2 3.92Å; V383-I387 HydrophobicContact CG1-CD1 4.06Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å
384	L	98.6	Very high	98.5	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	23%	0.227	C	C	.	.			trans	-80.1	-97.7	-173.8	-61.7	173.3	0	0	0	109.8	V239 L244 A247 K248 A251 R334 V335 I337	V239-L384 HydrophobicContact CG2-CD2 4.33Å; L244-L384 VanDerWaalsContact CD1-C 3.42Å; L244-L384 HydrophobicContact CD1-CB 3.99Å; L244-L384 HydrophobicContact CD1-CD2 4.42Å; L244-L384 WeakPolarHBondContact CD1-O 3.36Å; A247-L384 HydrophobicContact CB-CD2 3.57Å; K248-L384 HydrophobicContact CG-CD1 4.29Å; K248-L384 HydrophobicContact CG-CD2 4.44Å; A251-L384 HydrophobicContact CB-CD1 3.89Å; R334-L384 HydrophobicContact CB-CD1 4.44Å; R334-L384 WeakPolarHBondContact O-CD1 3.28Å; V335-L384 PolarHBondContact O-N 3.12Å; I337-L384 HydrophobicContact CD1-CD2 4.44Å
385	D	98.1	Very high	98.5	Very high	76 Å²	76	45.7 Å²	45.7	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-68.5	143.8	179.4	-67	-71.9	0	0	0	111.9	K248 I387	K248-D385 VanDerWaalsContact CE-CG 3.43Å; K248-D385 WeakPolarHBondContact CE-OD1 3.27Å; K248-D385 WeakPolarHBondContact CE-OD2 3.37Å; K248-D385 VanDerWaalsContact NZ-CG 3.32Å; K248-D385 IonicContact NZ-OD1 3.63Å; K248-D385 PolarHBondContact NZ-OD1 2.8Å; K248-D385 IonicContact NZ-OD2 2.74Å; K248-D385 PolarHBondContact NZ-OD2 3.02Å; D385-I387 PolarHBondContact O-N 2.97Å
386	R	98.1	Very high	98.5	Very high	91 Å²	91	46.5 Å²	46.5	34%	0.343	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-57.1	135.5	168	-177.4	168.4	173.9	175.8	2.8	110.1	Y238 Y388 E402	Y238-R386 HydrophobicContact CE1-CB 4.39Å; R386-Y388 HydrophobicContact CB-CD2 4.49Å; R386-Y388 HydrophobicContact CB-CE2 3.87Å; R386-Y388 VanDerWaalsContact CD-OH 3.3Å; R386-Y388 WeakPolarHBondContact CD-OH 3.46Å; R386-Y388 HydrophobicContact CG-CD2 4.4Å; R386-Y388 HydrophobicContact CG-CE2 3.73Å; R386-Y388 PolarHBondContact NE-OH 3.2Å; R386-Y388 WeakPolarHBondContact O-CD2 3.46Å; R386-Y388 PolarHBondContact O-N 3.5Å; R386-E402 IonicContact CZ-OE1 3.32Å; R386-E402 IonicContact CZ-OE2 2.94Å; R386-E402 IonicContact NH1-OE1 2.72Å; R386-E402 PolarHBondContact NH1-OE1 3.43Å; R386-E402 IonicContact NH2-OE1 2.78Å; R386-E402 PolarHBondContact NH2-OE1 3.1Å; R386-E402 IonicContact NH2-OE2 3.76Å; R386-E402 PolarHBondContact NH2-OE2 3.44Å
387	I	98.6	Very high	98.5	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.056	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-84.5	118.1	-170.6	-62	167.2	0	0	0	110.1	Y238 M264 V267 Q268 A271 V383 D385	Y238-I387 HydrophobicContact CE1-CG1 4.41Å; Y238-I387 PolarHBondContact OH-N 2.74Å; M264-I387 HydrophobicContact CE-CB 4.26Å; M264-I387 HydrophobicContact CE-CD1 3.55Å; M264-I387 HydrophobicContact CE-CG1 3.49Å; M264-I387 VanDerWaalsContact CE-CG1 3.49Å; M264-I387 HydrophobicContact CE-CG2 3.79Å; V267-I387 HydrophobicContact CG1-CD1 3.99Å; Q268-I387 HydrophobicContact CB-CB 4.44Å; Q268-I387 HydrophobicContact CB-CD1 3.73Å; Q268-I387 HydrophobicContact CB-CG2 4.21Å; Q268-I387 HydrophobicContact CG-CB 4.21Å; Q268-I387 HydrophobicContact CG-CD1 4.24Å; Q268-I387 HydrophobicContact CG-CG2 4.2Å; A271-I387 HydrophobicContact CB-CD1 4.32Å; V383-I387 HydrophobicContact CG1-CD1 4.06Å; V383-I387 HydrophobicContact CG1-CG1 4.45Å; D385-I387 PolarHBondContact O-N 2.97Å
388	Y	98.3	Very high	98.5	Very high	117 Å²	117	48 Å²	48	46%	0.459	24%	0.239	S	C	.	.			trans	-125.3	136.6	173.6	-65.3	-76.9	0	0	0	109.9	R386 N390 D394	R386-Y388 HydrophobicContact CB-CD2 4.49Å; R386-Y388 HydrophobicContact CB-CE2 3.87Å; R386-Y388 VanDerWaalsContact CD-OH 3.3Å; R386-Y388 WeakPolarHBondContact CD-OH 3.46Å; R386-Y388 HydrophobicContact CG-CD2 4.4Å; R386-Y388 HydrophobicContact CG-CE2 3.73Å; R386-Y388 PolarHBondContact NE-OH 3.2Å; R386-Y388 WeakPolarHBondContact O-CD2 3.46Å; R386-Y388 PolarHBondContact O-N 3.5Å; Y388-N390 PolarHBondContact O-ND2 3.45Å; Y388-D394 HydrophobicContact CD1-CB 3.97Å
389	W	98.4	Very high	98.5	Very high	48 Å²	48	48.3 Å²	48.3	18%	0.182	24%	0.24	C	C	.	.			trans	-91.7	-17.2	-177.7	-67.9	89.6	0	0	0	113.3	K261 M264 Q265 D391 D394 R397	K261-W389 HydrophobicContact CD-CZ3 4.23Å; K261-W389 HydrophobicContact CG-CH2 4.02Å; K261-W389 HydrophobicContact CG-CZ3 3.85Å; M264-W389 HydrophobicContact CB-CH2 4.29Å; M264-W389 HydrophobicContact CG-CH2 4.09Å; Q265-W389 HydrophobicContact CB-CZ2 4.45Å; Q265-W389 HydrophobicContact CG-CH2 3.58Å; Q265-W389 HydrophobicContact CG-CZ2 3.47Å; Q265-W389 VanDerWaalsContact CG-CZ2 3.47Å; W389-D391 PolarHBondContact O-N 3.41Å; W389-D394 PolarHBondContact N-OD1 3.34Å; W389-D394 PolarHBondContact N-OD2 3.08Å; W389-R397 VanDerWaalsContact CD1-CD 3.45Å; W389-R397 VanDerWaalsContact CD1-CZ 3.47Å
390	N	97.9	Very high	98.5	Very high	132 Å²	132	48.2 Å²	48.2	71%	0.706	24%	0.239	S	C	*	.			trans	53.6	37.4	-179.7	-55.5	-75.6	0	0	0	112.9	Y388 D394	Y388-N390 PolarHBondContact O-ND2 3.45Å; N390-D394 WeakPolarHBondContact CA-OD2 3.49Å; N390-D394 PolarHBondContact N-OD2 3.07Å
391	D	97.8	Very high	98.5	Very high	72 Å²	72	48.9 Å²	48.9	39%	0.385	24%	0.243	S	C	.	.	S	Bend	trans	-106.7	11.9	-178.3	66.8	-8.7	0	0	0	113	W389 L393 R397	W389-D391 PolarHBondContact O-N 3.41Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 WeakPolarHBondContact OD1-CB 3.28Å; D391-L393 PolarHBondContact OD1-N 3.07Å; D391-L393 VanDerWaalsContact OD1-N 3.09Å; D391-R397 IonicContact OD1-CZ 3.59Å; D391-R397 IonicContact OD1-NH1 3.22Å; D391-R397 PolarHBondContact OD1-NH1 3.15Å; D391-R397 IonicContact OD1-NH2 2.85Å; D391-R397 IonicContact OD2-CZ 3.09Å; D391-R397 IonicContact OD2-NH1 3.78Å; D391-R397 PolarHBondContact OD2-NH1 3.17Å; D391-R397 IonicContact OD2-NH2 3.63Å; D391-R397 PolarHBondContact OD2-NH2 2.81Å
392	G	98.3	Very high	98.5	Very high	54 Å²	54	51.3 Å²	51.3	56%	0.557	25%	0.254	S	S	*	.	S	Bend	trans	78.4	9.7	-177.4	0	0	0	0	0	114.7	Q395	G392-Q395 PolarHBondContact O-NE2 2.86Å; G392-Q395 PolarHBondContact O-OE1 3.41Å; G392-Q395 VanDerWaalsContact O-OE1 3.14Å
393	L	98.6	Very high	98.5	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	24%	0.238	C	C	.	.			trans	-121.6	2.5	-179.6	-60.7	175.7	0	0	0	114.3	D391 Q395 Y396 L465 P466 M469 I490	D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 WeakPolarHBondContact OD1-CB 3.28Å; D391-L393 PolarHBondContact OD1-N 3.07Å; D391-L393 VanDerWaalsContact OD1-N 3.09Å; L393-Q395 PolarHBondContact O-N 3.48Å; L393-Y396 HydrophobicContact CB-CD2 4.47Å; L393-Y396 HydrophobicContact CD2-CD2 4.09Å; L393-Y396 HydrophobicContact CD2-CE2 4.2Å; L393-Y396 WeakPolarHBondContact O-CB 3.41Å; L393-Y396 PolarHBondContact O-N 2.94Å; L393-L465 HydrophobicContact CD1-CD2 4.02Å; L393-L465 HydrophobicContact CD1-CG 3.91Å; L393-P466 HydrophobicContact CD1-CB 4.36Å; L393-P466 HydrophobicContact CD1-CG 4.09Å; L393-M469 HydrophobicContact CD1-CG 4.22Å; L393-M469 HydrophobicContact CD2-CB 4.1Å; L393-M469 HydrophobicContact CD2-CG 4.1Å; L393-I490 HydrophobicContact CB-CD1 3.85Å; L393-I490 HydrophobicContact CD1-CD1 4.32Å
394	D	98.7	Very high	98.5	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.144	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.6	-28.2	-177.4	-72.2	-40.2	0	0	0	113.4	Y388 W389 N390 Y396 R397	Y388-D394 HydrophobicContact CD1-CB 3.97Å; W389-D394 PolarHBondContact N-OD1 3.34Å; W389-D394 PolarHBondContact N-OD2 3.08Å; N390-D394 WeakPolarHBondContact CA-OD2 3.49Å; N390-D394 PolarHBondContact N-OD2 3.07Å; D394-Y396 PolarHBondContact O-N 3.23Å; D394-Y396 VanDerWaalsContact O-N 3.09Å; D394-R397 PolarHBondContact O-N 3.08Å; D394-R397 IonicContact OD1-CZ 2.97Å; D394-R397 IonicContact OD1-NH1 3.75Å; D394-R397 PolarHBondContact OD1-NH1 2.98Å
395	Q	98.4	Very high	98.5	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.7	-17.7	173.3	70.8	-81	16	0	0	114	G392 L393	G392-Q395 PolarHBondContact O-NE2 2.86Å; G392-Q395 PolarHBondContact O-OE1 3.41Å; G392-Q395 VanDerWaalsContact O-OE1 3.14Å; L393-Q395 PolarHBondContact O-N 3.48Å
396	Y	98.7	Very high	98.5	Very high	81 Å²	81	55.8 Å²	55.8	32%	0.318	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-97.9	-10.7	174.6	-59.7	-75.7	0	0	0	112.7	L393 D394 L398 M469 A489 I490	L393-Y396 HydrophobicContact CB-CD2 4.47Å; L393-Y396 HydrophobicContact CD2-CD2 4.09Å; L393-Y396 HydrophobicContact CD2-CE2 4.2Å; L393-Y396 WeakPolarHBondContact O-CB 3.41Å; L393-Y396 PolarHBondContact O-N 2.94Å; D394-Y396 PolarHBondContact O-N 3.23Å; D394-Y396 VanDerWaalsContact O-N 3.09Å; Y396-L398 VanDerWaalsContact C-N 3.27Å; Y396-L398 PolarHBondContact O-N 2.85Å; Y396-M469 HydrophobicContact CD1-CE 3.74Å; Y396-M469 HydrophobicContact CD2-CE 3.72Å; Y396-M469 HydrophobicContact CE1-CE 4.1Å; Y396-M469 HydrophobicContact CE2-CE 4.07Å; Y396-M469 HydrophobicContact CG-CE 3.55Å; Y396-A489 CarbonylContact O-C 3.54Å; Y396-A489 VanDerWaalsContact O-CA 3.25Å; Y396-A489 WeakPolarHBondContact O-CA 3.1Å; Y396-I490 HydrophobicContact CG-CD1 4.44Å; Y396-I490 PolarHBondContact O-N 2.88Å
397	R	98.8	Very high	98.6	Very high	13 Å²	13	52 Å²	52	5%	0.049	26%	0.256	C	S	.	.			trans	-85.7	71.4	-180	-66.5	-173.9	178.7	90.5	4.9	110.3	W389 D391 D394 I490	W389-R397 VanDerWaalsContact CD1-CD 3.45Å; W389-R397 VanDerWaalsContact CD1-CZ 3.47Å; D391-R397 IonicContact OD1-CZ 3.59Å; D391-R397 IonicContact OD1-NH1 3.22Å; D391-R397 PolarHBondContact OD1-NH1 3.15Å; D391-R397 IonicContact OD1-NH2 2.85Å; D391-R397 IonicContact OD2-CZ 3.09Å; D391-R397 IonicContact OD2-NH1 3.78Å; D391-R397 PolarHBondContact OD2-NH1 3.17Å; D391-R397 IonicContact OD2-NH2 3.63Å; D391-R397 PolarHBondContact OD2-NH2 2.81Å; D394-R397 PolarHBondContact O-N 3.08Å; D394-R397 IonicContact OD1-CZ 2.97Å; D394-R397 IonicContact OD1-NH1 3.75Å; D394-R397 PolarHBondContact OD1-NH1 2.98Å; R397-I490 HydrophobicContact CG-CB 4.03Å; R397-I490 HydrophobicContact CG-CD1 4.48Å; R397-I490 HydrophobicContact CG-CG2 4.2Å
398	L	98.9	Very high	98.5	Very high	19 Å²	19	58.7 Å²	58.7	10%	0.099	29%	0.285	C	S	.	.			trans	-81.3	132.8	178.8	-56.9	179.6	0	0	0	110.3	Y396 E402 L403 K406 I487 A489	Y396-L398 VanDerWaalsContact C-N 3.27Å; Y396-L398 PolarHBondContact O-N 2.85Å; L398-E402 WeakPolarHBondContact CA-OE2 3.4Å; L398-E402 HydrophobicContact CB-CB 4.16Å; L398-E402 HydrophobicContact CD2-CB 4.43Å; L398-L403 HydrophobicContact CB-CD2 4.03Å; L398-L403 HydrophobicContact CB-CG 3.91Å; L398-L403 HydrophobicContact CD1-CD2 3.86Å; L398-K406 HydrophobicContact CD1-CD 3.77Å; L398-I487 HydrophobicContact CD1-CG2 4.47Å; L398-A489 HydrophobicContact CB-CB 4.41Å; L398-A489 HydrophobicContact CD1-CB 4.22Å; L398-A489 HydrophobicContact CG-CB 4.4Å
399	T	98.9	Very high	98.5	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.031	29%	0.29	C	S	.	.			trans	-68.4	164.1	172.3	78.8	0	0	0	0	110.8	E272 N401 E402 L403	E272-T399 HydrophobicContact CB-CG2 4.22Å; E272-T399 HydrophobicContact CG-CG2 3.78Å; T399-N401 PolarHBondContact O-N 3.38Å; T399-N401 PolarHBondContact OG1-N 2.81Å; T399-E402 PolarHBondContact N-OE2 3.47Å; T399-E402 PolarHBondContact O-N 3.45Å; T399-E402 PolarHBondContact OG1-N 2.9Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 3.33Å
400	P	98.9	Very high	98.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-51.9	-39.9	171.1	-28.7	37.5	0	0	0	113.5	V234 E272 W274 L403 K404 V512 A513	V234-P400 HydrophobicContact CG1-CB 4.13Å; V234-P400 HydrophobicContact CG2-CB 3.85Å; E272-P400 WeakPolarHBondContact O-CD 3.41Å; E272-P400 WeakPolarHBondContact O-CG 3.41Å; W274-P400 HydrophobicContact CD2-CG 3.62Å; W274-P400 HydrophobicContact CE3-CG 3.81Å; W274-P400 HydrophobicContact CG-CG 4.12Å; W274-P400 HydrophobicContact CH2-CG 4.1Å; W274-P400 HydrophobicContact CZ2-CG 3.93Å; W274-P400 HydrophobicContact CZ3-CG 4.06Å; P400-L403 PolarHBondContact O-N 2.74Å; P400-K404 WeakPolarHBondContact O-CG 3.36Å; P400-K404 PolarHBondContact O-N 2.84Å; P400-V512 HydrophobicContact CB-CG1 4.33Å; P400-A513 HydrophobicContact CB-CB 4.22Å
401	N	98.7	Very high	98.5	Very high	65 Å²	65	58.1 Å²	58.1	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-41.1	178.1	-76.8	-34.3	0	0	0	112.2	V234 E236 T399 L403 K404 Q405	V234-N401 WeakPolarHBondContact CG1-ND2 3.28Å; E236-N401 PolarHBondContact OE1-ND2 3.04Å; T399-N401 PolarHBondContact O-N 3.38Å; T399-N401 PolarHBondContact OG1-N 2.81Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 3.01Å; N401-K404 PolarHBondContact O-N 2.86Å; N401-Q405 WeakPolarHBondContact O-CB 3.37Å; N401-Q405 PolarHBondContact O-N 3.39Å
402	E	98.8	Very high	98.6	Very high	56 Å²	56	56 Å²	56	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-37.8	174.6	-69.6	173.9	152.4	0	0	111.7	R386 L398 T399 Q405 K406	R386-E402 IonicContact CZ-OE1 3.32Å; R386-E402 IonicContact CZ-OE2 2.94Å; R386-E402 IonicContact NH1-OE1 2.72Å; R386-E402 PolarHBondContact NH1-OE1 3.43Å; R386-E402 IonicContact NH2-OE1 2.78Å; R386-E402 PolarHBondContact NH2-OE1 3.1Å; R386-E402 IonicContact NH2-OE2 3.76Å; R386-E402 PolarHBondContact NH2-OE2 3.44Å; L398-E402 WeakPolarHBondContact CA-OE2 3.4Å; L398-E402 HydrophobicContact CB-CB 4.16Å; L398-E402 HydrophobicContact CD2-CB 4.43Å; T399-E402 PolarHBondContact N-OE2 3.47Å; T399-E402 PolarHBondContact O-N 3.45Å; T399-E402 PolarHBondContact OG1-N 2.9Å; E402-Q405 PolarHBondContact O-N 2.86Å; E402-K406 WeakPolarHBondContact O-CG 3.47Å; E402-K406 PolarHBondContact O-N 3.38Å
403	L	98.9	Very high	98.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-49.5	173.4	-75.7	171.1	0	0	0	112	W274 L398 T399 P400 N401 Q405 K406 F407 L450 I487 A489 A513	W274-L403 HydrophobicContact CH2-CD1 3.67Å; W274-L403 HydrophobicContact CZ2-CD1 4.42Å; L398-L403 HydrophobicContact CB-CD2 4.03Å; L398-L403 HydrophobicContact CB-CG 3.91Å; L398-L403 HydrophobicContact CD1-CD2 3.86Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 3.33Å; P400-L403 PolarHBondContact O-N 2.74Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 3.01Å; L403-Q405 VanDerWaalsContact C-N 3.25Å; L403-Q405 PolarHBondContact O-N 3.41Å; L403-K406 PolarHBondContact O-N 3.22Å; L403-K406 VanDerWaalsContact O-N 3.1Å; L403-F407 HydrophobicContact CB-CE2 3.83Å; L403-F407 HydrophobicContact CB-CZ 3.99Å; L403-F407 HydrophobicContact CD2-CZ 4.14Å; L403-F407 WeakPolarHBondContact O-CD2 3.4Å; L403-F407 WeakPolarHBondContact O-CE2 3.4Å; L403-F407 WeakPolarHBondContact O-CG 3.32Å; L403-F407 PolarHBondContact O-N 2.95Å; L403-L450 HydrophobicContact CD1-CD2 4.5Å; L403-L450 HydrophobicContact CD2-CD1 3.74Å; L403-I487 HydrophobicContact CD2-CG2 4.02Å; L403-A489 HydrophobicContact CD2-CB 3.84Å; L403-A513 HydrophobicContact CD1-CB 3.9Å
404	K	98.7	Very high	98.5	Very high	75 Å²	75	55.2 Å²	55.2	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-55.7	-42.8	175.3	-74.3	179.9	-177.8	178	0	112	P400 N401 F407 K408 V512 A513	P400-K404 WeakPolarHBondContact O-CG 3.36Å; P400-K404 PolarHBondContact O-N 2.84Å; N401-K404 PolarHBondContact O-N 2.86Å; K404-F407 PolarHBondContact O-N 3.02Å; K404-K408 PolarHBondContact O-N 3.36Å; K404-V512 WeakPolarHBondContact CE-O 3.34Å; K404-V512 PolarHBondContact NZ-O 3.15Å; K404-A513 WeakPolarHBondContact CG-O 3.41Å
405	Q	98.6	Very high	98.5	Very high	90 Å²	90	54.2 Å²	54.2	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-44.6	176.5	-178.9	55.9	35	0	0	111.3	N401 E402 L403 F407 K408 E409	N401-Q405 WeakPolarHBondContact O-CB 3.37Å; N401-Q405 PolarHBondContact O-N 3.39Å; E402-Q405 PolarHBondContact O-N 2.86Å; L403-Q405 VanDerWaalsContact C-N 3.25Å; L403-Q405 PolarHBondContact O-N 3.41Å; Q405-F407 PolarHBondContact O-N 3.05Å; Q405-K408 WeakPolarHBondContact O-CB 3.16Å; Q405-K408 PolarHBondContact O-N 2.81Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.38Å; Q405-E409 PolarHBondContact NE2-OE1 3.16Å; Q405-E409 WeakPolarHBondContact O-CG 3.36Å; Q405-E409 PolarHBondContact O-N 3.26Å
406	K	98.6	Very high	98.5	Very high	85 Å²	85	48.8 Å²	48.8	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-41	174.7	-72.1	-151.4	178.4	-154.1	0	113.4	L398 E402 L403 K408 E409 M410 I487	L398-K406 HydrophobicContact CD1-CD 3.77Å; E402-K406 WeakPolarHBondContact O-CG 3.47Å; E402-K406 PolarHBondContact O-N 3.38Å; L403-K406 PolarHBondContact O-N 3.22Å; L403-K406 VanDerWaalsContact O-N 3.1Å; K406-K408 VanDerWaalsContact C-N 3.29Å; K406-K408 PolarHBondContact O-N 3.48Å; K406-E409 PolarHBondContact O-N 3.19Å; K406-M410 WeakPolarHBondContact O-CG 3.44Å; K406-M410 PolarHBondContact O-N 2.88Å; K406-I487 HydrophobicContact CB-CD1 3.77Å
407	F	98.6	Very high	98.6	Very high	12 Å²	12	45 Å²	45	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.9	-56.7	-41.1	0	0	0	111.6	L403 K404 Q405 M410 N411 A412 V415 V448 L450 I487 A513	L403-F407 HydrophobicContact CB-CE2 3.83Å; L403-F407 HydrophobicContact CB-CZ 3.99Å; L403-F407 HydrophobicContact CD2-CZ 4.14Å; L403-F407 WeakPolarHBondContact O-CD2 3.4Å; L403-F407 WeakPolarHBondContact O-CE2 3.4Å; L403-F407 WeakPolarHBondContact O-CG 3.32Å; L403-F407 PolarHBondContact O-N 2.95Å; K404-F407 PolarHBondContact O-N 3.02Å; Q405-F407 PolarHBondContact O-N 3.05Å; F407-M410 PolarHBondContact O-N 3.29Å; F407-N411 PolarHBondContact O-N 3.38Å; F407-A412 HydrophobicContact CB-CB 4.26Å; F407-A412 WeakPolarHBondContact O-CB 3.48Å; F407-A412 PolarHBondContact O-N 3.12Å; F407-V415 HydrophobicContact CB-CG2 3.95Å; F407-V415 HydrophobicContact CD1-CG1 4.16Å; F407-V415 HydrophobicContact CD1-CG2 3.72Å; F407-V415 HydrophobicContact CD2-CG1 4.34Å; F407-V415 HydrophobicContact CD2-CG2 3.86Å; F407-V415 HydrophobicContact CE1-CG1 3.77Å; F407-V415 HydrophobicContact CE1-CG2 4.22Å; F407-V415 HydrophobicContact CE2-CG1 3.98Å; F407-V415 HydrophobicContact CE2-CG2 4.34Å; F407-V415 HydrophobicContact CG-CG1 4.47Å; F407-V415 HydrophobicContact CG-CG2 3.57Å; F407-V415 HydrophobicContact CZ-CG1 3.71Å; F407-V448 HydrophobicContact CD1-CG1 4.31Å; F407-V448 HydrophobicContact CE1-CG1 4.49Å; F407-L450 HydrophobicContact CE1-CB 4.45Å; F407-L450 HydrophobicContact CE1-CD1 4.48Å; F407-L450 HydrophobicContact CZ-CB 4.29Å; F407-L450 HydrophobicContact CZ-CD1 4.15Å; F407-L450 HydrophobicContact CZ-CD2 3.95Å; F407-L450 HydrophobicContact CZ-CG 4.33Å; F407-I487 HydrophobicContact CD1-CD1 3.45Å; F407-I487 VanDerWaalsContact CD1-CD1 3.45Å; F407-I487 HydrophobicContact CE1-CD1 3.41Å; F407-I487 VanDerWaalsContact CE1-CD1 3.41Å; F407-A513 VanDerWaalsContact CE2-O 3.32Å; F407-A513 WeakPolarHBondContact CE2-O 3.32Å
408	K	98.1	Very high	98.6	Very high	150 Å²	150	45 Å²	45	65%	0.652	22%	0.219	S	C	*	.	H	α-helix	trans	-64	-44	175.1	-175.9	180	177.6	-178.4	0	112	K404 Q405 K406 M410 N411	K404-K408 PolarHBondContact O-N 3.36Å; Q405-K408 WeakPolarHBondContact O-CB 3.16Å; Q405-K408 PolarHBondContact O-N 2.81Å; K406-K408 VanDerWaalsContact C-N 3.29Å; K406-K408 PolarHBondContact O-N 3.48Å; K408-M410 VanDerWaalsContact C-N 3.3Å; K408-M410 PolarHBondContact O-N 3.13Å; K408-N411 WeakPolarHBondContact O-CA 3.33Å; K408-N411 PolarHBondContact O-N 3.19Å
409	E	98.3	Very high	98.5	Very high	120 Å²	120	45.3 Å²	45.3	56%	0.561	22%	0.22	S	C	*	.	H	α-helix	trans	-61.3	-37.7	176.3	-73.5	165.9	-172.9	0	0	112.5	Q405 K406 N411	Q405-E409 WeakPolarHBondContact CG-OE1 3.38Å; Q405-E409 PolarHBondContact NE2-OE1 3.16Å; Q405-E409 WeakPolarHBondContact O-CG 3.36Å; Q405-E409 PolarHBondContact O-N 3.26Å; K406-E409 PolarHBondContact O-N 3.19Å; E409-N411 PolarHBondContact O-N 2.93Å
410	M	98.1	Very high	98.5	Very high	59 Å²	59	45.5 Å²	45.5	29%	0.291	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.4	173.1	-66.1	-178.1	76	0	0	113.3	K406 F407 K408 A412 V448 D484 I487	K406-M410 WeakPolarHBondContact O-CG 3.44Å; K406-M410 PolarHBondContact O-N 2.88Å; F407-M410 PolarHBondContact O-N 3.29Å; K408-M410 VanDerWaalsContact C-N 3.3Å; K408-M410 PolarHBondContact O-N 3.13Å; M410-A412 PolarHBondContact O-N 2.84Å; M410-V448 HydrophobicContact CB-CG2 4.31Å; M410-V448 HydrophobicContact CE-CG1 4.03Å; M410-V448 HydrophobicContact CE-CG2 3.87Å; M410-V448 HydrophobicContact SD-CG1 3.98Å; M410-V448 HydrophobicContact SD-CG2 4.29Å; M410-D484 WeakPolarHBondContact CE-O 3.36Å; M410-I487 HydrophobicContact SD-CD1 3.44Å; M410-I487 WeakPolarHBondContact SD-CD1 3.48Å; M410-I487 HydrophobicContact SD-CG1 3.59Å; M410-I487 VanDerWaalsContact SD-CG1 3.59Å
411	N	98.1	Very high	98.4	Very high	106 Å²	106	47.4 Å²	47.4	57%	0.567	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	34	-172.1	-62.5	-73	0	0	0	112.6	F407 K408 E409 D413 R446	F407-N411 PolarHBondContact O-N 3.38Å; K408-N411 WeakPolarHBondContact O-CA 3.33Å; K408-N411 PolarHBondContact O-N 3.19Å; E409-N411 PolarHBondContact O-N 2.93Å; N411-D413 PolarHBondContact O-N 2.77Å; N411-R446 VanDerWaalsContact O-CZ 3.27Å; N411-R446 PolarHBondContact O-NE 2.8Å; N411-R446 PolarHBondContact O-NH2 3.41Å
412	A	98.3	Very high	98.2	Very high	27 Å²	27	47 Å²	47	22%	0.223	23%	0.226	C	C	.	.			trans	-58.8	132.6	-178.8	0	0	0	0	0	110.2	F407 M410 V415 R446 V448	F407-A412 HydrophobicContact CB-CB 4.26Å; F407-A412 WeakPolarHBondContact O-CB 3.48Å; F407-A412 PolarHBondContact O-N 3.12Å; M410-A412 PolarHBondContact O-N 2.84Å; A412-V415 HydrophobicContact CB-CG2 4.11Å; A412-R446 WeakPolarHBondContact CA-O 3.36Å; A412-V448 HydrophobicContact CB-CB 4.05Å; A412-V448 HydrophobicContact CB-CG2 3.59Å
413	D	97.7	Very high	98	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	-103.3	-10.3	173.2	59.1	0.1	0	0	0	112.8	N411 Y444 R445 R446	N411-D413 PolarHBondContact O-N 2.77Å; D413-Y444 HydrophobicContact CB-CD1 4.45Å; D413-Y444 WeakPolarHBondContact O-CD1 3.5Å; D413-Y444 WeakPolarHBondContact O-CE1 3.27Å; D413-R445 PolarHBondContact OD1-N 2.94Å; D413-R445 WeakPolarHBondContact OD2-CA 3.41Å; D413-R445 WeakPolarHBondContact OD2-CB 3.38Å; D413-R445 PolarHBondContact OD2-N 3.12Å; D413-R446 PolarHBondContact N-O 3.29Å; D413-R446 WeakPolarHBondContact OD1-CA 3.32Å; D413-R446 PolarHBondContact OD1-N 2.84Å; D413-R446 PolarHBondContact OD2-N 3.36Å
414	A	98.4	Very high	97.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.4	164.9	0	0	0	0	0	110.3	L439 Y444 P447 V448 F517	A414-L439 HydrophobicContact CB-CD1 4.32Å; A414-Y444 HydrophobicContact CB-CD1 3.47Å; A414-Y444 VanDerWaalsContact CB-CD1 3.47Å; A414-Y444 HydrophobicContact CB-CD2 4.2Å; A414-Y444 HydrophobicContact CB-CE1 3.78Å; A414-Y444 HydrophobicContact CB-CE2 4.49Å; A414-Y444 HydrophobicContact CB-CG 3.69Å; A414-P447 HydrophobicContact CB-CB 4.42Å; A414-P447 CarbonylContact O-C 3.44Å; A414-P447 VanDerWaalsContact O-CA 3.31Å; A414-P447 WeakPolarHBondContact O-CA 3.47Å; A414-V448 PolarHBondContact O-N 3.18Å; A414-F517 HydrophobicContact CB-CD2 4.26Å; A414-F517 HydrophobicContact CB-CE2 3.82Å
415	V	98.8	Very high	97.7	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.9	171.6	179.3	0	0	0	0	109	F407 A412 V448 L450 A515 N516 F517	F407-V415 HydrophobicContact CB-CG2 3.95Å; F407-V415 HydrophobicContact CD1-CG1 4.16Å; F407-V415 HydrophobicContact CD1-CG2 3.72Å; F407-V415 HydrophobicContact CD2-CG1 4.34Å; F407-V415 HydrophobicContact CD2-CG2 3.86Å; F407-V415 HydrophobicContact CE1-CG1 3.77Å; F407-V415 HydrophobicContact CE1-CG2 4.22Å; F407-V415 HydrophobicContact CE2-CG1 3.98Å; F407-V415 HydrophobicContact CE2-CG2 4.34Å; F407-V415 HydrophobicContact CG-CG1 4.47Å; F407-V415 HydrophobicContact CG-CG2 3.57Å; F407-V415 HydrophobicContact CZ-CG1 3.71Å; A412-V415 HydrophobicContact CB-CG2 4.11Å; V415-V448 WeakPolarHBondContact CA-O 2.99Å; V415-L450 HydrophobicContact CG1-CB 4.21Å; V415-A515 HydrophobicContact CG1-CB 4.36Å; V415-N516 PolarHBondContact N-OD1 3.28Å; V415-N516 PolarHBondContact O-N 2.78Å; V415-F517 PolarHBondContact O-N 3.14Å
416	F	98.8	Very high	97.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.8	175.9	61.4	-80	0	0	0	110.7	T435 Q436 L439 P447 V448 L449 L450 F517 I519	F416-T435 HydrophobicContact CB-CG2 4.02Å; F416-T435 HydrophobicContact CD2-CG2 3.82Å; F416-T435 HydrophobicContact CE2-CG2 4.44Å; F416-T435 HydrophobicContact CG-CG2 3.99Å; F416-Q436 HydrophobicContact CE1-CB 4.29Å; F416-Q436 HydrophobicContact CE1-CG 4.37Å; F416-Q436 HydrophobicContact CE2-CB 4.42Å; F416-Q436 HydrophobicContact CZ-CB 3.74Å; F416-Q436 HydrophobicContact CZ-CG 4.12Å; F416-L439 HydrophobicContact CB-CD1 4.05Å; F416-L439 HydrophobicContact CD1-CD1 3.57Å; F416-L439 HydrophobicContact CE1-CD1 4.28Å; F416-L439 HydrophobicContact CG-CD1 4.01Å; F416-P447 HydrophobicContact CD1-CB 4.25Å; F416-P447 HydrophobicContact CE1-CB 3.93Å; F416-V448 VanDerWaalsContact CD1-O 3.25Å; F416-V448 WeakPolarHBondContact CD1-O 3.22Å; F416-V448 VanDerWaalsContact CE1-C 3.41Å; F416-V448 PolarHBondContact N-O 3.09Å; F416-L449 HydrophobicContact CD2-CB 4.38Å; F416-L449 HydrophobicContact CD2-CD1 3.76Å; F416-L449 HydrophobicContact CE1-CB 4.12Å; F416-L449 HydrophobicContact CE2-CB 3.67Å; F416-L449 HydrophobicContact CE2-CD1 3.54Å; F416-L449 HydrophobicContact CE2-CG 4.08Å; F416-L449 HydrophobicContact CZ-CB 3.51Å; F416-L449 HydrophobicContact CZ-CD1 4.32Å; F416-L449 HydrophobicContact CZ-CG 4.41Å; F416-L450 PolarHBondContact O-N 2.74Å; F416-F517 CarbonylContact C-O 3.53Å; F416-F517 WeakPolarHBondContact CA-O 3.44Å; F416-F517 HydrophobicContact CB-CB 3.75Å; F416-I519 HydrophobicContact CD2-CD1 3.85Å; F416-I519 HydrophobicContact CE2-CD1 4.46Å
417	A	98.8	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.5	-173.5	0	0	0	0	0	112.1	L450 R510 A515 F517 Y518 I519	A417-L450 HydrophobicContact CB-CB 4.4Å; A417-L450 HydrophobicContact CB-CD2 4.3Å; A417-R510 HydrophobicContact CB-CB 3.91Å; A417-R510 HydrophobicContact CB-CG 3.75Å; A417-A515 HydrophobicContact CB-CB 3.88Å; A417-F517 PolarHBondContact N-O 3.4Å; A417-Y518 HydrophobicContact CB-CD2 4.2Å; A417-I519 PolarHBondContact O-N 3.14Å; A417-I519 VanDerWaalsContact O-N 3.09Å
418	F	98.8	Very high	97.3	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.057	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	104.6	170.6	-164.9	-96.8	0	0	0	109.8	L420 H428 L431 M432 L449 L450 L451 H452 I519	F418-L420 HydrophobicContact CD1-CB 4.27Å; F418-L420 HydrophobicContact CD1-CD2 4.13Å; F418-L420 HydrophobicContact CE1-CB 4.1Å; F418-L420 VanDerWaalsContact O-CD2 3.31Å; F418-L420 WeakPolarHBondContact O-CD2 3.26Å; F418-H428 HydrophobicContact CE1-CB 3.88Å; F418-H428 HydrophobicContact CZ-CB 3.71Å; F418-H428 AromaticContact CZ-CD2 3.77Å; F418-H428 AromaticContact CZ-CG 3.88Å; F418-L431 HydrophobicContact CE2-CB 4.31Å; F418-L431 HydrophobicContact CE2-CD2 4.35Å; F418-M432 HydrophobicContact CB-CG 3.98Å; F418-M432 HydrophobicContact CB-SD 3.73Å; F418-M432 HydrophobicContact CD1-CE 4.1Å; F418-M432 HydrophobicContact CD1-CG 4.36Å; F418-M432 HydrophobicContact CD1-SD 3.77Å; F418-M432 HydrophobicContact CD2-CG 3.67Å; F418-M432 HydrophobicContact CD2-SD 4.16Å; F418-M432 HydrophobicContact CE1-CE 4.26Å; F418-M432 HydrophobicContact CE1-SD 4.46Å; F418-M432 HydrophobicContact CE2-CG 4.27Å; F418-M432 HydrophobicContact CG-CE 4.42Å; F418-M432 HydrophobicContact CG-CG 3.74Å; F418-M432 HydrophobicContact CG-SD 3.61Å; F418-L449 HydrophobicContact CB-CD1 4.04Å; F418-L450 PolarHBondContact N-O 2.93Å; F418-L451 HydrophobicContact CD1-CD1 4.2Å; F418-H452 PolarHBondContact O-N 3.3Å; F418-I519 HydrophobicContact CD2-CB 3.84Å; F418-I519 HydrophobicContact CD2-CD1 3.96Å; F418-I519 HydrophobicContact CD2-CG2 3.63Å; F418-I519 HydrophobicContact CE2-CB 4.45Å; F418-I519 HydrophobicContact CE2-CG2 3.77Å
419	Q	98.7	Very high	97.2	Very high	27 Å²	27	30.2 Å²	30.2	13%	0.126	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137	171.1	160.8	60.3	4.8	0	0	110.2	H452 H506 R510 Y518	Q419-H452 PolarHBondContact OE1-O 2.52Å; Q419-H506 HydrophobicContact CG-CB 4.07Å; Q419-H506 WeakPolarHBondContact CG-ND1 3.42Å; Q419-H506 PolarHBondContact NE2-CE1 2.94Å; Q419-H506 PolarHBondContact NE2-ND1 2.72Å; Q419-R510 VanDerWaalsContact OE1-NH1 3.16Å; Q419-Y518 HydrophobicContact CB-CE2 4.35Å; Q419-Y518 VanDerWaalsContact CB-OH 3.32Å; Q419-Y518 WeakPolarHBondContact CB-OH 3.39Å
420	L	97.4	Very high	97.2	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.3	174.1	65.8	169.8	0	0	0	112.8	F418 V424 L451 H452 P453 L454 H472	F418-L420 HydrophobicContact CD1-CB 4.27Å; F418-L420 HydrophobicContact CD1-CD2 4.13Å; F418-L420 HydrophobicContact CE1-CB 4.1Å; F418-L420 VanDerWaalsContact O-CD2 3.31Å; F418-L420 WeakPolarHBondContact O-CD2 3.26Å; L420-V424 HydrophobicContact CD1-CG2 3.33Å; L420-L451 HydrophobicContact CD1-CD1 3.99Å; L420-L451 HydrophobicContact CD2-CD1 3.67Å; L420-L451 HydrophobicContact CD2-CG 4.3Å; L420-H452 VanDerWaalsContact CD2-C 3.5Å; L420-P453 HydrophobicContact CD2-CB 4.22Å; L420-P453 VanDerWaalsContact CD2-N 3.34Å; L420-P453 HydrophobicContact CG-CB 4.25Å; L420-P453 CarbonylContact O-C 3.53Å; L420-P453 VanDerWaalsContact O-CA 3.31Å; L420-P453 WeakPolarHBondContact O-CA 3.37Å; L420-L454 PolarHBondContact O-N 3.21Å; L420-H472 WeakPolarHBondContact CD1-NE2 3.5Å
421	R	96.4	Very high	97.2	Very high	40 Å²	40	23.8 Å²	23.8	15%	0.151	13%	0.125	C	C	.	.	S	Bend	trans	-120.7	-6	168.1	73	178.8	-169	-103.9	5.4	113	D462 R468 G526	R421-D462 IonicContact NE-OD2 2.67Å; R421-R468 WeakPolarHBondContact O-CD 3.43Å; R421-R468 PolarHBondContact O-NE 3.14Å; R421-G526 PolarHBondContact NH1-O 2.84Å; R421-G526 PolarHBondContact NH2-O 3.23Å
422	N	94.6	Very high	97.2	Very high	56 Å²	56	18.8 Å²	18.8	30%	0.299	10%	0.098	S	C	.	.	S	Bend	trans	-113.2	161.9	-172.8	-69.1	-41	0	0	0	110.5
423	P	96	Very high	97.2	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.058	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-52.1	144.8	166.3	-26.1	35.7	0	0	0	112.8	H425 H428 V463 Q471 M606 L614	P423-H425 PolarHBondContact O-N 3.43Å; P423-H428 PolarHBondContact O-ND1 3.14Å; P423-V463 HydrophobicContact CG-CB 4.22Å; P423-V463 HydrophobicContact CG-CG2 3.8Å; P423-Q471 HydrophobicContact CB-CG 4.24Å; P423-M606 HydrophobicContact CB-CE 4.46Å; P423-L614 HydrophobicContact CB-CD1 3.9Å; P423-L614 HydrophobicContact CB-CD2 3.99Å; P423-L614 HydrophobicContact CB-CG 4.47Å; P423-L614 HydrophobicContact CG-CD1 4.16Å; P423-L614 HydrophobicContact CG-CD2 3.61Å
424	V	96.3	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-81.1	116.1	177.3	173.1	0	0	0	0	109.3	L420 H428 M432 L451 Q471 V475	L420-V424 HydrophobicContact CD1-CG2 3.33Å; V424-H428 HydrophobicContact CG1-CB 4.27Å; V424-M432 HydrophobicContact CG1-CE 4.09Å; V424-L451 HydrophobicContact CG2-CD1 4.29Å; V424-Q471 PolarHBondContact O-NE2 2.93Å; V424-V475 HydrophobicContact CB-CG2 4.19Å; V424-V475 HydrophobicContact CG1-CG1 4.04Å; V424-V475 HydrophobicContact CG1-CG2 4.3Å
425	H	94.9	Very high	97.2	Very high	34 Å²	34	20.7 Å²	20.7	16%	0.157	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-103.8	170.6	164.8	62.4	90.3	0	0	0	109.7	P423 G427 H428 A429 F605 M606	P423-H425 PolarHBondContact O-N 3.43Å; H425-G427 PolarHBondContact ND1-N 3.12Å; H425-G427 VanDerWaalsContact ND1-N 3.14Å; H425-G427 PolarHBondContact O-N 3.19Å; H425-H428 AromaticContact CD2-CE1 3.38Å; H425-H428 PolarHBondContact CD2-CE1 2.84Å; H425-H428 AromaticContact CD2-ND1 3.48Å; H425-H428 PolarHBondContact CD2-ND1 3.1Å; H425-H428 AromaticContact NE2-CD2 3.82Å; H425-H428 AromaticContact NE2-CE1 3.23Å; H425-H428 PolarHBondContact NE2-CE1 3.13Å; H425-H428 AromaticContact NE2-CG 3.95Å; H425-H428 AromaticContact NE2-ND1 3.61Å; H425-H428 AromaticContact NE2-NE2 3.39Å; H425-H428 PolarHBondContact NE2-NE2 3.43Å; H425-H428 WeakPolarHBondContact O-CB 3.47Å; H425-H428 PolarHBondContact O-N 2.86Å; H425-A429 PolarHBondContact O-N 3.08Å; H425-A429 VanDerWaalsContact O-N 3.16Å; H425-F605 HydrophobicContact CB-CE1 4.12Å; H425-F605 HydrophobicContact CB-CE2 4.48Å; H425-F605 HydrophobicContact CB-CZ 4.07Å; H425-M606 HydrophobicContact CB-CB 4.42Å; H425-M606 HydrophobicContact CB-CE 3.67Å
426	N	95.9	Very high	97.1	Very high	30 Å²	30	22.9 Å²	22.9	16%	0.16	11%	0.112	C	C	.	.	H	α-helix	trans	-68.5	-10.3	-172.9	-67.7	-5.8	0	0	0	113.5	L430 M572 G604 F605	N426-L430 WeakPolarHBondContact O-CB 3.33Å; N426-L430 PolarHBondContact O-N 3.43Å; N426-M572 HydrophobicContact CB-CB 4.22Å; N426-M572 HydrophobicContact CB-CG 3.63Å; N426-G604 WeakPolarHBondContact CB-O 3.24Å; N426-G604 PolarHBondContact ND2-O 3.26Å; N426-F605 VanDerWaalsContact CB-O 3.32Å; N426-F605 WeakPolarHBondContact CB-O 3.31Å; N426-F605 PolarHBondContact N-O 2.89Å
427	G	94.4	Very high	97.1	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-71.2	-43.7	169.6	0	0	0	0	0	111.4	H425 A429 L430 L431	H425-G427 PolarHBondContact ND1-N 3.12Å; H425-G427 VanDerWaalsContact ND1-N 3.14Å; H425-G427 PolarHBondContact O-N 3.19Å; G427-A429 VanDerWaalsContact C-N 3.33Å; G427-L430 WeakPolarHBondContact O-CB 3.49Å; G427-L430 PolarHBondContact O-N 3.36Å; G427-L431 WeakPolarHBondContact O-CD1 3.37Å; G427-L431 PolarHBondContact O-N 3.24Å
428	H	96	Very high	97.1	Very high	40 Å²	40	33 Å²	33	19%	0.185	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-42.6	170.2	-59.2	145.5	0	0	0	110.7	F418 P423 V424 H425 L430 L431 M432	F418-H428 HydrophobicContact CE1-CB 3.88Å; F418-H428 HydrophobicContact CZ-CB 3.71Å; F418-H428 AromaticContact CZ-CD2 3.77Å; F418-H428 AromaticContact CZ-CG 3.88Å; P423-H428 PolarHBondContact O-ND1 3.14Å; V424-H428 HydrophobicContact CG1-CB 4.27Å; H425-H428 AromaticContact CD2-CE1 3.38Å; H425-H428 PolarHBondContact CD2-CE1 2.84Å; H425-H428 AromaticContact CD2-ND1 3.48Å; H425-H428 PolarHBondContact CD2-ND1 3.1Å; H425-H428 AromaticContact NE2-CD2 3.82Å; H425-H428 AromaticContact NE2-CE1 3.23Å; H425-H428 PolarHBondContact NE2-CE1 3.13Å; H425-H428 AromaticContact NE2-CG 3.95Å; H425-H428 AromaticContact NE2-ND1 3.61Å; H425-H428 AromaticContact NE2-NE2 3.39Å; H425-H428 PolarHBondContact NE2-NE2 3.43Å; H425-H428 WeakPolarHBondContact O-CB 3.47Å; H425-H428 PolarHBondContact O-N 2.86Å; H428-L430 VanDerWaalsContact C-N 3.31Å; H428-L430 PolarHBondContact O-N 3.42Å; H428-L431 WeakPolarHBondContact O-CB 3.38Å; H428-L431 PolarHBondContact O-N 2.98Å; H428-M432 HydrophobicContact CB-CE 4.03Å; H428-M432 WeakPolarHBondContact O-CE 3.49Å; H428-M432 PolarHBondContact O-N 3.32Å; H428-M432 VanDerWaalsContact O-N 3.12Å
429	A	97.1	Very high	97	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-41.8	176.5	0	0	0	0	0	112.2	H425 G427 L431 M432 Q433 V480 L481	H425-A429 PolarHBondContact O-N 3.08Å; H425-A429 VanDerWaalsContact O-N 3.16Å; G427-A429 VanDerWaalsContact C-N 3.33Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 3.34Å; A429-M432 PolarHBondContact O-N 2.86Å; A429-M432 VanDerWaalsContact O-N 3.14Å; A429-Q433 WeakPolarHBondContact O-CB 3.11Å; A429-Q433 WeakPolarHBondContact O-CG 3.39Å; A429-Q433 PolarHBondContact O-N 2.78Å; A429-V480 HydrophobicContact CB-CG1 3.56Å; A429-L481 HydrophobicContact CB-CD2 4.32Å
430	L	97.3	Very high	97	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.173	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-44.5	176	178	64.2	0	0	0	111.9	N426 G427 H428 M432 D434 A563 F574	N426-L430 WeakPolarHBondContact O-CB 3.33Å; N426-L430 PolarHBondContact O-N 3.43Å; G427-L430 WeakPolarHBondContact O-CB 3.49Å; G427-L430 PolarHBondContact O-N 3.36Å; H428-L430 VanDerWaalsContact C-N 3.31Å; H428-L430 PolarHBondContact O-N 3.42Å; L430-M432 PolarHBondContact O-N 2.72Å; L430-D434 WeakPolarHBondContact O-CB 3.33Å; L430-D434 PolarHBondContact O-N 3.28Å; L430-A563 HydrophobicContact CD2-CB 4.22Å; L430-F574 HydrophobicContact CD1-CE2 4.41Å; L430-F574 HydrophobicContact CD1-CZ 4.49Å; L430-F574 HydrophobicContact CD2-CD1 4.26Å; L430-F574 HydrophobicContact CD2-CD2 4.3Å; L430-F574 HydrophobicContact CD2-CE1 4.06Å; L430-F574 HydrophobicContact CD2-CE2 4.13Å; L430-F574 HydrophobicContact CD2-CG 4.36Å; L430-F574 HydrophobicContact CD2-CZ 4Å; L430-F574 HydrophobicContact CG-CE1 4.27Å; L430-F574 HydrophobicContact CG-CE2 4.19Å; L430-F574 HydrophobicContact CG-CZ 3.87Å
431	L	97.8	Very high	97	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-43.5	176.7	-88.3	66.6	0	0	0	111.7	F418 G427 H428 A429 T435 I519 F560 A563 F574	F418-L431 HydrophobicContact CE2-CB 4.31Å; F418-L431 HydrophobicContact CE2-CD2 4.35Å; G427-L431 WeakPolarHBondContact O-CD1 3.37Å; G427-L431 PolarHBondContact O-N 3.24Å; H428-L431 WeakPolarHBondContact O-CB 3.38Å; H428-L431 PolarHBondContact O-N 2.98Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 3.34Å; L431-T435 WeakPolarHBondContact O-CB 3.44Å; L431-T435 PolarHBondContact O-N 3.36Å; L431-T435 PolarHBondContact O-OG1 2.74Å; L431-I519 HydrophobicContact CB-CG2 4.2Å; L431-I519 HydrophobicContact CD2-CG2 4.11Å; L431-F560 HydrophobicContact CB-CD2 4.24Å; L431-F560 HydrophobicContact CB-CE2 4.32Å; L431-F560 HydrophobicContact CB-CG 4.37Å; L431-F560 HydrophobicContact CD1-CB 4.22Å; L431-F560 HydrophobicContact CD1-CD1 4.42Å; L431-F560 HydrophobicContact CD1-CG 4.34Å; L431-F560 HydrophobicContact CD2-CB 3.62Å; L431-F560 HydrophobicContact CD2-CD2 3.95Å; L431-F560 HydrophobicContact CD2-CG 3.88Å; L431-F560 HydrophobicContact CG-CB 3.66Å; L431-F560 HydrophobicContact CG-CD1 3.87Å; L431-F560 HydrophobicContact CG-CD2 3.75Å; L431-F560 HydrophobicContact CG-CE1 4.38Å; L431-F560 HydrophobicContact CG-CE2 4.29Å; L431-F560 HydrophobicContact CG-CG 3.5Å; L431-F560 WeakPolarHBondContact O-CZ 3.31Å; L431-A563 HydrophobicContact CD1-CB 3.96Å; L431-F574 HydrophobicContact CD1-CE1 3.86Å
432	M	98.4	Very high	97.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-46.7	179.8	-69.2	-177.3	-82.6	0	0	111.9	F418 V424 H428 A429 L430 T435 Q436 L449 L451 L481 I519	F418-M432 HydrophobicContact CB-CG 3.98Å; F418-M432 HydrophobicContact CB-SD 3.73Å; F418-M432 HydrophobicContact CD1-CE 4.1Å; F418-M432 HydrophobicContact CD1-CG 4.36Å; F418-M432 HydrophobicContact CD1-SD 3.77Å; F418-M432 HydrophobicContact CD2-CG 3.67Å; F418-M432 HydrophobicContact CD2-SD 4.16Å; F418-M432 HydrophobicContact CE1-CE 4.26Å; F418-M432 HydrophobicContact CE1-SD 4.46Å; F418-M432 HydrophobicContact CE2-CG 4.27Å; F418-M432 HydrophobicContact CG-CE 4.42Å; F418-M432 HydrophobicContact CG-CG 3.74Å; F418-M432 HydrophobicContact CG-SD 3.61Å; V424-M432 HydrophobicContact CG1-CE 4.09Å; H428-M432 HydrophobicContact CB-CE 4.03Å; H428-M432 WeakPolarHBondContact O-CE 3.49Å; H428-M432 PolarHBondContact O-N 3.32Å; H428-M432 VanDerWaalsContact O-N 3.12Å; A429-M432 PolarHBondContact O-N 2.86Å; A429-M432 VanDerWaalsContact O-N 3.14Å; L430-M432 PolarHBondContact O-N 2.72Å; M432-T435 PolarHBondContact O-N 2.67Å; M432-Q436 PolarHBondContact O-N 2.76Å; M432-L449 HydrophobicContact CB-CD2 4.26Å; M432-L449 HydrophobicContact CG-CD1 4.1Å; M432-L449 HydrophobicContact CG-CD2 4.32Å; M432-L449 HydrophobicContact SD-CD1 3.87Å; M432-L449 HydrophobicContact SD-CD2 3.61Å; M432-L449 HydrophobicContact SD-CG 4.38Å; M432-L451 HydrophobicContact CE-CD1 4.23Å; M432-L451 HydrophobicContact SD-CD1 3.83Å; M432-L481 HydrophobicContact CB-CD2 4.01Å; M432-L481 HydrophobicContact CE-CD1 3.68Å; M432-L481 HydrophobicContact CE-CD2 4.07Å; M432-L481 HydrophobicContact CE-CG 4.43Å; M432-L481 HydrophobicContact SD-CD1 4.01Å; M432-L481 HydrophobicContact SD-CD2 4.29Å; M432-I519 HydrophobicContact CG-CD1 4.12Å
433	Q	97.9	Very high	97.3	Very high	87 Å²	87	45.6 Å²	45.6	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-44.1	178	-70.4	168.9	-14.6	0	0	111.9	A429 T435 Q436 K437 V480	A429-Q433 WeakPolarHBondContact O-CB 3.11Å; A429-Q433 WeakPolarHBondContact O-CG 3.39Å; A429-Q433 PolarHBondContact O-N 2.78Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 3.15Å; Q433-Q436 PolarHBondContact O-N 3.43Å; Q433-K437 WeakPolarHBondContact O-CB 3.37Å; Q433-K437 PolarHBondContact O-N 2.87Å; Q433-V480 PolarHBondContact NE2-O 3.09Å
434	D	98.1	Very high	97.4	Very high	34 Å²	34	49 Å²	49	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-36	178.2	-168.3	70.6	0	0	0	111.4	L430 K437 R438 F560 F574	L430-D434 WeakPolarHBondContact O-CB 3.33Å; L430-D434 PolarHBondContact O-N 3.28Å; D434-K437 PolarHBondContact O-N 3.06Å; D434-R438 VanDerWaalsContact O-CG 3.29Å; D434-R438 WeakPolarHBondContact O-CG 3.34Å; D434-R438 PolarHBondContact O-N 2.94Å; D434-R438 IonicContact OD2-CZ 3.92Å; D434-R438 IonicContact OD2-NE 2.86Å; D434-R438 PolarHBondContact OD2-NE 3.04Å; D434-R438 IonicContact OD2-NH2 3.53Å; D434-R438 PolarHBondContact OD2-NH2 3.28Å; D434-F560 HydrophobicContact CB-CE1 4.01Å; D434-F560 HydrophobicContact CB-CZ 4.29Å; D434-F560 WeakPolarHBondContact OD2-CE1 3.39Å; D434-F574 HydrophobicContact CB-CZ 4.32Å
435	T	98.3	Very high	97.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-50	172	-57.8	0	0	0	0	111.2	F416 L431 M432 Q433 K437 R438 L439 I519 V558 F560	F416-T435 HydrophobicContact CB-CG2 4.02Å; F416-T435 HydrophobicContact CD2-CG2 3.82Å; F416-T435 HydrophobicContact CE2-CG2 4.44Å; F416-T435 HydrophobicContact CG-CG2 3.99Å; L431-T435 WeakPolarHBondContact O-CB 3.44Å; L431-T435 PolarHBondContact O-N 3.36Å; L431-T435 PolarHBondContact O-OG1 2.74Å; M432-T435 PolarHBondContact O-N 2.67Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 3.15Å; T435-K437 VanDerWaalsContact C-N 3.28Å; T435-K437 PolarHBondContact O-N 2.85Å; T435-R438 PolarHBondContact O-N 3.44Å; T435-L439 HydrophobicContact CG2-CD1 4.21Å; T435-L439 HydrophobicContact CG2-CG 4.45Å; T435-L439 WeakPolarHBondContact O-CG 3.12Å; T435-L439 PolarHBondContact O-N 3Å; T435-I519 HydrophobicContact CG2-CD1 4Å; T435-I519 HydrophobicContact CG2-CG1 4.04Å; T435-I519 VanDerWaalsContact OG1-CD1 3.28Å; T435-I519 WeakPolarHBondContact OG1-CD1 3.4Å; T435-I519 WeakPolarHBondContact OG1-CG1 3.42Å; T435-V558 HydrophobicContact CG2-CG1 4.4Å; T435-V558 HydrophobicContact CG2-CG2 4.45Å; T435-F560 VanDerWaalsContact OG1-CE2 3.23Å; T435-F560 WeakPolarHBondContact OG1-CE2 3.42Å; T435-F560 VanDerWaalsContact OG1-CZ 3.24Å; T435-F560 WeakPolarHBondContact OG1-CZ 3.37Å
436	Q	98.1	Very high	97.6	Very high	52 Å²	52	63.3 Å²	63.3	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-55.6	-46	177.3	-170.6	174.1	10.4	0	0	111.2	F416 M432 Q433 L439 V440 P447 S485	F416-Q436 HydrophobicContact CE1-CB 4.29Å; F416-Q436 HydrophobicContact CE1-CG 4.37Å; F416-Q436 HydrophobicContact CE2-CB 4.42Å; F416-Q436 HydrophobicContact CZ-CB 3.74Å; F416-Q436 HydrophobicContact CZ-CG 4.12Å; M432-Q436 PolarHBondContact O-N 2.76Å; Q433-Q436 PolarHBondContact O-N 3.43Å; Q436-L439 PolarHBondContact O-N 3.33Å; Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 2.71Å; Q436-P447 HydrophobicContact CG-CG 4Å; Q436-S485 PolarHBondContact NE2-OG 3Å
437	K	97.9	Very high	97.7	Very high	121 Å²	121	62.2 Å²	62.2	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-49.4	176.5	-177.8	-178.3	168.9	-174.7	0	112.1	Q433 D434 T435 L439 V440 E441	Q433-K437 WeakPolarHBondContact O-CB 3.37Å; Q433-K437 PolarHBondContact O-N 2.87Å; D434-K437 PolarHBondContact O-N 3.06Å; T435-K437 VanDerWaalsContact C-N 3.28Å; T435-K437 PolarHBondContact O-N 2.85Å; K437-L439 VanDerWaalsContact C-N 3.27Å; K437-L439 PolarHBondContact O-N 2.8Å; K437-V440 PolarHBondContact O-N 2.86Å; K437-E441 WeakPolarHBondContact CE-OE1 3.48Å; K437-E441 IonicContact NZ-OE1 2.73Å; K437-E441 WeakPolarHBondContact O-CG 3.28Å; K437-E441 PolarHBondContact O-N 3.37Å
438	R	98.1	Very high	97.9	Very high	92 Å²	92	62.3 Å²	62.3	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-36.6	177.6	-70.9	175.4	-165	-170.2	6.9	112.3	D434 T435 E441 R442	D434-R438 VanDerWaalsContact O-CG 3.29Å; D434-R438 WeakPolarHBondContact O-CG 3.34Å; D434-R438 PolarHBondContact O-N 2.94Å; D434-R438 IonicContact OD2-CZ 3.92Å; D434-R438 IonicContact OD2-NE 2.86Å; D434-R438 PolarHBondContact OD2-NE 3.04Å; D434-R438 IonicContact OD2-NH2 3.53Å; D434-R438 PolarHBondContact OD2-NH2 3.28Å; T435-R438 PolarHBondContact O-N 3.44Å; R438-E441 PolarHBondContact O-N 2.6Å; R438-R442 VanDerWaalsContact O-CG 3.27Å; R438-R442 WeakPolarHBondContact O-CG 3.44Å; R438-R442 PolarHBondContact O-N 3.46Å
439	L	98.2	Very high	98.1	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-68.9	-42.1	177.2	-66.9	178.1	0	0	0	111.7	A414 F416 T435 Q436 K437 E441 R442 G443 Y444 P447 F517	A414-L439 HydrophobicContact CB-CD1 4.32Å; F416-L439 HydrophobicContact CB-CD1 4.05Å; F416-L439 HydrophobicContact CD1-CD1 3.57Å; F416-L439 HydrophobicContact CE1-CD1 4.28Å; F416-L439 HydrophobicContact CG-CD1 4.01Å; T435-L439 HydrophobicContact CG2-CD1 4.21Å; T435-L439 HydrophobicContact CG2-CG 4.45Å; T435-L439 WeakPolarHBondContact O-CG 3.12Å; T435-L439 PolarHBondContact O-N 3Å; Q436-L439 PolarHBondContact O-N 3.33Å; K437-L439 VanDerWaalsContact C-N 3.27Å; K437-L439 PolarHBondContact O-N 2.8Å; L439-E441 VanDerWaalsContact C-N 3.33Å; L439-E441 PolarHBondContact O-N 2.8Å; L439-R442 WeakPolarHBondContact O-CB 3.36Å; L439-R442 PolarHBondContact O-N 2.73Å; L439-R442 VanDerWaalsContact O-N 3.15Å; L439-G443 PolarHBondContact O-N 3.13Å; L439-Y444 HydrophobicContact CB-CD2 3.98Å; L439-Y444 HydrophobicContact CD2-CD2 3.85Å; L439-Y444 HydrophobicContact CD2-CE2 3.93Å; L439-Y444 HydrophobicContact CG-CD2 4.49Å; L439-Y444 WeakPolarHBondContact O-CB 3.39Å; L439-Y444 WeakPolarHBondContact O-CD2 3.34Å; L439-Y444 PolarHBondContact O-N 3.46Å; L439-Y444 VanDerWaalsContact O-N 3.1Å; L439-P447 HydrophobicContact CB-CB 4.07Å; L439-P447 HydrophobicContact CB-CG 4.49Å; L439-P447 HydrophobicContact CD1-CB 3.96Å; L439-F517 HydrophobicContact CD1-CD2 3.95Å; L439-F517 HydrophobicContact CD1-CE2 4.29Å; L439-F517 HydrophobicContact CD1-CG 4.39Å; L439-F517 HydrophobicContact CD2-CD1 3.88Å; L439-F517 HydrophobicContact CD2-CD2 3.68Å; L439-F517 HydrophobicContact CD2-CE1 3.6Å; L439-F517 HydrophobicContact CD2-CE2 3.39Å; L439-F517 HydrophobicContact CD2-CG 3.93Å; L439-F517 HydrophobicContact CD2-CZ 3.36Å; L439-F517 HydrophobicContact CG-CD2 4.48Å; L439-F517 HydrophobicContact CG-CE2 4.49Å
440	V	98.1	Very high	98.1	Very high	83 Å²	83	60.6 Å²	60.6	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-43.3	173.5	174.2	0	0	0	0	111.1	Q436 K437 R442 G443 Y444 P447	Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 2.71Å; K437-V440 PolarHBondContact O-N 2.86Å; V440-R442 PolarHBondContact O-N 2.87Å; V440-G443 PolarHBondContact O-N 2.74Å; V440-Y444 WeakPolarHBondContact CA-O 3.44Å; V440-P447 HydrophobicContact CG2-CG 3.91Å
441	E	98.1	Very high	98.2	Very high	135 Å²	135	59 Å²	59	63%	0.631	27%	0.269	S	S	*	.	H	α-helix	trans	-62.2	-30.5	175.5	-72.3	172.3	176.5	0	0	112.9	K437 R438 L439 G443	K437-E441 WeakPolarHBondContact CE-OE1 3.48Å; K437-E441 IonicContact NZ-OE1 2.73Å; K437-E441 WeakPolarHBondContact O-CG 3.28Å; K437-E441 PolarHBondContact O-N 3.37Å; R438-E441 PolarHBondContact O-N 2.6Å; L439-E441 VanDerWaalsContact C-N 3.33Å; L439-E441 PolarHBondContact O-N 2.8Å; E441-G443 VanDerWaalsContact C-N 3.26Å; E441-G443 PolarHBondContact O-N 3.39Å
442	R	97.6	Very high	98.3	Very high	137 Å²	137	58.5 Å²	58.5	52%	0.517	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.1	173	-73.1	176.7	-179.7	-162.7	5.6	113.8	R438 L439 V440 Y444 E556	R438-R442 VanDerWaalsContact O-CG 3.27Å; R438-R442 WeakPolarHBondContact O-CG 3.44Å; R438-R442 PolarHBondContact O-N 3.46Å; L439-R442 WeakPolarHBondContact O-CB 3.36Å; L439-R442 PolarHBondContact O-N 2.73Å; L439-R442 VanDerWaalsContact O-N 3.15Å; V440-R442 PolarHBondContact O-N 2.87Å; R442-Y444 HydrophobicContact CB-CD2 4.22Å; R442-Y444 HydrophobicContact CB-CE2 4.33Å; R442-E556 IonicContact CZ-OE1 3.23Å; R442-E556 IonicContact CZ-OE2 2.74Å; R442-E556 IonicContact NH1-OE1 2.94Å; R442-E556 PolarHBondContact NH1-OE1 3Å; R442-E556 IonicContact NH1-OE2 3.65Å; R442-E556 PolarHBondContact NH1-OE2 3.42Å; R442-E556 IonicContact NH2-OE1 2.72Å; R442-E556 PolarHBondContact NH2-OE1 3.07Å; R442-E556 IonicContact NH2-OE2 3.52Å
443	G	97.9	Very high	98.3	Very high	51 Å²	51	58.5 Å²	58.5	53%	0.526	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	2.1	174.9	0	0	0	0	0	115.7	L439 V440 E441	L439-G443 PolarHBondContact O-N 3.13Å; V440-G443 PolarHBondContact O-N 2.74Å; E441-G443 VanDerWaalsContact C-N 3.26Å; E441-G443 PolarHBondContact O-N 3.39Å
444	Y	98.1	Very high	98.3	Very high	79 Å²	79	54.3 Å²	54.3	31%	0.31	25%	0.246	S	C	.	.			trans	-67.4	132.1	169.8	-64.3	-76.5	0	0	0	109.6	D413 A414 L439 V440 R442 F517	D413-Y444 HydrophobicContact CB-CD1 4.45Å; D413-Y444 WeakPolarHBondContact O-CD1 3.5Å; D413-Y444 WeakPolarHBondContact O-CE1 3.27Å; A414-Y444 HydrophobicContact CB-CD1 3.47Å; A414-Y444 VanDerWaalsContact CB-CD1 3.47Å; A414-Y444 HydrophobicContact CB-CD2 4.2Å; A414-Y444 HydrophobicContact CB-CE1 3.78Å; A414-Y444 HydrophobicContact CB-CE2 4.49Å; A414-Y444 HydrophobicContact CB-CG 3.69Å; L439-Y444 HydrophobicContact CB-CD2 3.98Å; L439-Y444 HydrophobicContact CD2-CD2 3.85Å; L439-Y444 HydrophobicContact CD2-CE2 3.93Å; L439-Y444 HydrophobicContact CG-CD2 4.49Å; L439-Y444 WeakPolarHBondContact O-CB 3.39Å; L439-Y444 WeakPolarHBondContact O-CD2 3.34Å; L439-Y444 PolarHBondContact O-N 3.46Å; L439-Y444 VanDerWaalsContact O-N 3.1Å; V440-Y444 WeakPolarHBondContact CA-O 3.44Å; R442-Y444 HydrophobicContact CB-CD2 4.22Å; R442-Y444 HydrophobicContact CB-CE2 4.33Å; Y444-F517 HydrophobicContact CE2-CE2 4Å; Y444-F517 AromaticContact CE2-CZ 3.69Å; Y444-F517 HydrophobicContact CE2-CZ 3.69Å; Y444-F517 AromaticContact CZ-CZ 3.86Å
445	R	97.9	Very high	98.3	Very high	213 Å²	213	53.3 Å²	53.3	80%	0.804	24%	0.244	S	C	*	.	S	Bend	trans	-97.8	-28.2	-173.5	-60.9	-174.5	179.9	-171.9	0.6	112.6	D413 P447	D413-R445 PolarHBondContact OD1-N 2.94Å; D413-R445 WeakPolarHBondContact OD2-CA 3.41Å; D413-R445 WeakPolarHBondContact OD2-CB 3.38Å; D413-R445 PolarHBondContact OD2-N 3.12Å; R445-P447 VanDerWaalsContact C-CD 3.45Å
446	R	98	Very high	98.3	Very high	123 Å²	123	53.7 Å²	53.7	46%	0.464	25%	0.248	S	C	.	.	S	Bend	trans	-135.3	60.8	-178.1	-64.5	-178.7	-60.2	-78.2	-9.5	110.3	N411 A412 D413 V448	N411-R446 VanDerWaalsContact O-CZ 3.27Å; N411-R446 PolarHBondContact O-NE 2.8Å; N411-R446 PolarHBondContact O-NH2 3.41Å; A412-R446 WeakPolarHBondContact CA-O 3.36Å; D413-R446 PolarHBondContact N-O 3.29Å; D413-R446 WeakPolarHBondContact OD1-CA 3.32Å; D413-R446 PolarHBondContact OD1-N 2.84Å; D413-R446 PolarHBondContact OD2-N 3.36Å; R446-V448 PolarHBondContact O-N 2.98Å
447	P	98.4	Very high	98.4	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	127	172.9	30.2	-34.7	0	0	0	109.8	A414 F416 Q436 L439 V440 R445	A414-P447 HydrophobicContact CB-CB 4.42Å; A414-P447 CarbonylContact O-C 3.44Å; A414-P447 VanDerWaalsContact O-CA 3.31Å; A414-P447 WeakPolarHBondContact O-CA 3.47Å; F416-P447 HydrophobicContact CD1-CB 4.25Å; F416-P447 HydrophobicContact CE1-CB 3.93Å; Q436-P447 HydrophobicContact CG-CG 4Å; L439-P447 HydrophobicContact CB-CB 4.07Å; L439-P447 HydrophobicContact CB-CG 4.49Å; L439-P447 HydrophobicContact CD1-CB 3.96Å; V440-P447 HydrophobicContact CG2-CG 3.91Å; R445-P447 VanDerWaalsContact C-CD 3.45Å
448	V	98.9	Very high	98.4	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.9	179.5	173.6	0	0	0	0	110.4	F407 M410 A412 A414 V415 F416 R446 S485 I487	F407-V448 HydrophobicContact CD1-CG1 4.31Å; F407-V448 HydrophobicContact CE1-CG1 4.49Å; M410-V448 HydrophobicContact CB-CG2 4.31Å; M410-V448 HydrophobicContact CE-CG1 4.03Å; M410-V448 HydrophobicContact CE-CG2 3.87Å; M410-V448 HydrophobicContact SD-CG1 3.98Å; M410-V448 HydrophobicContact SD-CG2 4.29Å; A412-V448 HydrophobicContact CB-CB 4.05Å; A412-V448 HydrophobicContact CB-CG2 3.59Å; A414-V448 PolarHBondContact O-N 3.18Å; V415-V448 WeakPolarHBondContact CA-O 2.99Å; F416-V448 VanDerWaalsContact CD1-O 3.25Å; F416-V448 WeakPolarHBondContact CD1-O 3.22Å; F416-V448 VanDerWaalsContact CE1-C 3.41Å; F416-V448 PolarHBondContact N-O 3.09Å; R446-V448 PolarHBondContact O-N 2.98Å; V448-S485 WeakPolarHBondContact CA-O 3.4Å; V448-I487 HydrophobicContact CG1-CD1 4.1Å; V448-I487 HydrophobicContact CG1-CG1 4.31Å
449	L	98.9	Very high	98.3	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.8	171.9	172.2	58.9	0	0	0	109.7	F416 F418 M432 L451 L481 S485 T486 I487	F416-L449 HydrophobicContact CD2-CB 4.38Å; F416-L449 HydrophobicContact CD2-CD1 3.76Å; F416-L449 HydrophobicContact CE1-CB 4.12Å; F416-L449 HydrophobicContact CE2-CB 3.67Å; F416-L449 HydrophobicContact CE2-CD1 3.54Å; F416-L449 HydrophobicContact CE2-CG 4.08Å; F416-L449 HydrophobicContact CZ-CB 3.51Å; F416-L449 HydrophobicContact CZ-CD1 4.32Å; F416-L449 HydrophobicContact CZ-CG 4.41Å; F418-L449 HydrophobicContact CB-CD1 4.04Å; M432-L449 HydrophobicContact CB-CD2 4.26Å; M432-L449 HydrophobicContact CG-CD1 4.1Å; M432-L449 HydrophobicContact CG-CD2 4.32Å; M432-L449 HydrophobicContact SD-CD1 3.87Å; M432-L449 HydrophobicContact SD-CD2 3.61Å; M432-L449 HydrophobicContact SD-CG 4.38Å; L449-L451 HydrophobicContact CD2-CB 4.34Å; L449-L451 HydrophobicContact CG-CB 4.28Å; L449-L481 HydrophobicContact CD2-CD1 4.06Å; L449-L481 HydrophobicContact CD2-CD2 4.16Å; L449-S485 PolarHBondContact N-O 3.2Å; L449-T486 HydrophobicContact CB-CG2 4.25Å; L449-T486 HydrophobicContact CD2-CG2 3.87Å; L449-T486 HydrophobicContact CG-CG2 4.02Å; L449-T486 CarbonylContact O-C 3.57Å; L449-T486 WeakPolarHBondContact O-CA 3.26Å; L449-I487 PolarHBondContact O-N 2.93Å
450	L	98.9	Very high	98.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	93.8	161.3	177.9	60.1	0	0	0	108.8	L403 F407 V415 F416 A417 F418 H452 I487 A489 R510	L403-L450 HydrophobicContact CD1-CD2 4.5Å; L403-L450 HydrophobicContact CD2-CD1 3.74Å; F407-L450 HydrophobicContact CE1-CB 4.45Å; F407-L450 HydrophobicContact CE1-CD1 4.48Å; F407-L450 HydrophobicContact CZ-CB 4.29Å; F407-L450 HydrophobicContact CZ-CD1 4.15Å; F407-L450 HydrophobicContact CZ-CD2 3.95Å; F407-L450 HydrophobicContact CZ-CG 4.33Å; V415-L450 HydrophobicContact CG1-CB 4.21Å; F416-L450 PolarHBondContact O-N 2.74Å; A417-L450 HydrophobicContact CB-CB 4.4Å; A417-L450 HydrophobicContact CB-CD2 4.3Å; F418-L450 PolarHBondContact N-O 2.93Å; L450-H452 HydrophobicContact CD1-CB 4.48Å; L450-H452 WeakPolarHBondContact CD2-ND1 3.42Å; L450-H452 HydrophobicContact CG-CB 4.02Å; L450-H452 WeakPolarHBondContact CG-ND1 3.42Å; L450-H452 PolarHBondContact O-N 2.99Å; L450-I487 HydrophobicContact CD1-CB 4.41Å; L450-I487 HydrophobicContact CD1-CG2 4Å; L450-A489 HydrophobicContact CD1-CB 4.24Å; L450-R510 HydrophobicContact CD2-CG 4.46Å
451	L	98.9	Very high	97.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.5	172.4	-179.5	65.7	0	0	0	108	F418 L420 V424 M432 L449 P453 H472 L481 T486 I487 V488 A489	F418-L451 HydrophobicContact CD1-CD1 4.2Å; L420-L451 HydrophobicContact CD1-CD1 3.99Å; L420-L451 HydrophobicContact CD2-CD1 3.67Å; L420-L451 HydrophobicContact CD2-CG 4.3Å; V424-L451 HydrophobicContact CG2-CD1 4.29Å; M432-L451 HydrophobicContact CE-CD1 4.23Å; M432-L451 HydrophobicContact SD-CD1 3.83Å; L449-L451 HydrophobicContact CD2-CB 4.34Å; L449-L451 HydrophobicContact CG-CB 4.28Å; L451-P453 VanDerWaalsContact C-CD 3.47Å; L451-P453 WeakPolarHBondContact O-CD 3.44Å; L451-H472 HydrophobicContact CD2-CB 4.31Å; L451-L481 HydrophobicContact CD2-CD1 4.14Å; L451-T486 HydrophobicContact CB-CG2 3.93Å; L451-I487 PolarHBondContact N-O 3.33Å; L451-V488 HydrophobicContact CB-CG2 4.49Å; L451-V488 HydrophobicContact CD2-CG2 4.22Å; L451-V488 WeakPolarHBondContact O-CA 2.97Å; L451-A489 PolarHBondContact O-N 3.47Å
452	H	98.8	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	68.4	-158.1	-146	160	0	0	0	113.2	W274 F418 Q419 L420 L450 L454 A489 F491 R510	W274-H452 AromaticContact CH2-CE1 3.56Å; W274-H452 AromaticContact CH2-NE2 3.85Å; F418-H452 PolarHBondContact O-N 3.3Å; Q419-H452 PolarHBondContact OE1-O 2.52Å; L420-H452 VanDerWaalsContact CD2-C 3.5Å; L450-H452 HydrophobicContact CD1-CB 4.48Å; L450-H452 WeakPolarHBondContact CD2-ND1 3.42Å; L450-H452 HydrophobicContact CG-CB 4.02Å; L450-H452 WeakPolarHBondContact CG-ND1 3.42Å; L450-H452 PolarHBondContact O-N 2.99Å; H452-L454 PolarHBondContact O-N 3.41Å; H452-A489 WeakPolarHBondContact CA-O 3.27Å; H452-A489 PolarHBondContact CD2-O 2.92Å; H452-F491 PolarHBondContact CD2-N 2.87Å; H452-R510 PolarHBondContact ND1-NE 3.48Å; H452-R510 PolarHBondContact O-NH2 2.78Å
453	P	98.8	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	134.1	177.6	23.3	-36.1	0	0	0	112.2	L420 L451 M469 A489 I490 F491	L420-P453 HydrophobicContact CD2-CB 4.22Å; L420-P453 VanDerWaalsContact CD2-N 3.34Å; L420-P453 HydrophobicContact CG-CB 4.25Å; L420-P453 CarbonylContact O-C 3.53Å; L420-P453 VanDerWaalsContact O-CA 3.31Å; L420-P453 WeakPolarHBondContact O-CA 3.37Å; L451-P453 VanDerWaalsContact C-CD 3.47Å; L451-P453 WeakPolarHBondContact O-CD 3.44Å; P453-M469 HydrophobicContact CB-SD 4.34Å; P453-M469 HydrophobicContact CG-SD 3.55Å; P453-M469 VanDerWaalsContact CG-SD 3.55Å; P453-A489 WeakPolarHBondContact CD-O 3.31Å; P453-A489 WeakPolarHBondContact CG-O 3.15Å; P453-I490 HydrophobicContact CG-CG1 4.46Å; P453-I490 WeakPolarHBondContact O-CA 3.48Å; P453-F491 PolarHBondContact O-N 3.45Å
454	L	98.8	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-70.4	135.4	169.6	-176.3	150.8	0	0	0	109.9	L420 H452 T458 R468 F491 S493 M495	L420-L454 PolarHBondContact O-N 3.21Å; H452-L454 PolarHBondContact O-N 3.41Å; L454-T458 HydrophobicContact CD2-CG2 3.81Å; L454-R468 PolarHBondContact O-NH1 3.08Å; L454-R468 PolarHBondContact O-NH2 2.96Å; L454-F491 HydrophobicContact CB-CD1 4.47Å; L454-F491 HydrophobicContact CD1-CD1 4.13Å; L454-F491 HydrophobicContact CD1-CE1 4.41Å; L454-F491 HydrophobicContact CG-CD1 4.29Å; L454-S493 WeakPolarHBondContact CD1-O 3.5Å; L454-S493 VanDerWaalsContact CD2-O 3.23Å; L454-S493 WeakPolarHBondContact CD2-O 3.43Å; L454-S493 WeakPolarHBondContact CG-O 3.17Å; L454-M495 HydrophobicContact CD1-CB 3.94Å; L454-M495 HydrophobicContact CD1-CG 4.49Å; L454-M495 HydrophobicContact CD1-SD 3.78Å; L454-M495 HydrophobicContact CD2-CB 3.81Å
455	G	98.3	Very high	97.3	Very high	13 Å²	13	37.3 Å²	37.3	13%	0.134	18%	0.178	C	C	.	.			trans	-129.2	3.5	-176.9	0	0	0	0	0	116.1	F491	G455-F491 PolarHBondContact N-O 3.48Å
456	G	98.4	Very high	97.4	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	-70.5	-165.1	164.2	0	0	0	0	0	112	T458 P492 S493	G456-T458 PolarHBondContact O-N 2.84Å; G456-P492 WeakPolarHBondContact CA-O 3.37Å; G456-S493 VanDerWaalsContact CA-O 3.3Å; G456-S493 WeakPolarHBondContact CA-O 3.17Å; G456-S493 PolarHBondContact N-O 3.23Å
457	W	98.7	Very high	97.3	Very high	55 Å²	55	26.6 Å²	26.6	21%	0.208	15%	0.146	C	C	.	.			trans	-55	137.5	177	179.1	93.1	0	0	0	112	L262 P364 Y365 M368 K459 P494 M495 Y497	L262-W457 HydrophobicContact CD1-CB 3.74Å; L262-W457 HydrophobicContact CD1-CG 4.22Å; P364-W457 HydrophobicContact CB-CH2 3.83Å; P364-W457 HydrophobicContact CB-CZ2 4.32Å; P364-W457 HydrophobicContact CG-CH2 4.17Å; Y365-W457 AromaticContact CD2-CE3 3.79Å; Y365-W457 HydrophobicContact CD2-CE3 3.79Å; Y365-W457 AromaticContact CD2-CZ3 3.64Å; Y365-W457 HydrophobicContact CD2-CZ3 3.64Å; Y365-W457 HydrophobicContact CE2-CE3 4.31Å; Y365-W457 HydrophobicContact CG-CZ3 4.37Å; M368-W457 HydrophobicContact CE-CD2 3.51Å; M368-W457 VanDerWaalsContact CE-CE2 3.42Å; M368-W457 HydrophobicContact CE-CE3 3.63Å; M368-W457 HydrophobicContact CE-CG 4.22Å; M368-W457 HydrophobicContact CE-CH2 3.62Å; M368-W457 HydrophobicContact CE-CZ2 3.5Å; M368-W457 VanDerWaalsContact CE-CZ2 3.5Å; M368-W457 HydrophobicContact CE-CZ3 3.68Å; M368-W457 HydrophobicContact SD-CD2 4.25Å; M368-W457 HydrophobicContact SD-CZ2 4.03Å; W457-K459 HydrophobicContact CH2-CB 4.1Å; W457-K459 HydrophobicContact CZ2-CB 4.49Å; W457-P494 HydrophobicContact CB-CB 4.25Å; W457-M495 VanDerWaalsContact CE3-O 3.3Å; W457-M495 VanDerWaalsContact CZ3-O 3.25Å; W457-M495 WeakPolarHBondContact CZ3-O 3.49Å; W457-M495 WeakPolarHBondContact O-CB 3.25Å; W457-M495 PolarHBondContact O-N 3.31Å; W457-Y497 HydrophobicContact CH2-CE2 4.3Å; W457-Y497 HydrophobicContact CZ3-CD2 4.2Å; W457-Y497 AromaticContact CZ3-CE2 3.73Å; W457-Y497 HydrophobicContact CZ3-CE2 3.73Å
458	T	98.4	Very high	97.3	Very high	27 Å²	27	26.3 Å²	26.3	17%	0.166	14%	0.144	C	C	.	.			trans	-134.4	153.9	172.4	53.6	0	0	0	0	108.5	L454 G456 M495 Y497	L454-T458 HydrophobicContact CD2-CG2 3.81Å; G456-T458 PolarHBondContact O-N 2.84Å; T458-M495 HydrophobicContact CG2-CB 4.23Å; T458-Y497 WeakPolarHBondContact CA-OH 3.32Å; T458-Y497 WeakPolarHBondContact CB-OH 3.44Å
459	K	96.3	Very high	97.3	Very high	23 Å²	23	26.6 Å²	26.6	10%	0.1	15%	0.145	C	C	.	.			trans	-65.2	155.6	178.9	72.2	-167.9	175.1	101.2	0	112.2	P364 W457 D461 D462 Y497 M527	P364-K459 HydrophobicContact CB-CB 4.1Å; P364-K459 HydrophobicContact CG-CB 3.8Å; P364-K459 HydrophobicContact CG-CD 4.18Å; W457-K459 HydrophobicContact CH2-CB 4.1Å; W457-K459 HydrophobicContact CZ2-CB 4.49Å; K459-D461 VanDerWaalsContact C-N 3.28Å; K459-D461 WeakPolarHBondContact CE-OD1 3.48Å; K459-D461 WeakPolarHBondContact CG-OD1 3.41Å; K459-D461 VanDerWaalsContact NZ-CG 3.34Å; K459-D461 IonicContact NZ-OD1 3.47Å; K459-D461 PolarHBondContact NZ-OD1 3.46Å; K459-D461 IonicContact NZ-OD2 3.53Å; K459-D461 PolarHBondContact NZ-OD2 3.34Å; K459-D461 PolarHBondContact O-N 3.35Å; K459-D461 VanDerWaalsContact O-N 3.13Å; K459-D462 VanDerWaalsContact CE-OD1 3.31Å; K459-D462 WeakPolarHBondContact CE-OD1 3.25Å; K459-D462 IonicContact NZ-OD1 3.52Å; K459-D462 WeakPolarHBondContact O-CB 3.38Å; K459-D462 PolarHBondContact O-N 3.42Å; K459-Y497 HydrophobicContact CB-CE2 3.97Å; K459-Y497 HydrophobicContact CD-CD1 4.18Å; K459-Y497 HydrophobicContact CD-CE1 3.66Å; K459-Y497 HydrophobicContact CD-CE2 4.06Å; K459-Y497 HydrophobicContact CG-CE1 4.11Å; K459-Y497 HydrophobicContact CG-CE2 4.09Å; K459-Y497 WeakPolarHBondContact CG-OH 3.43Å; K459-Y497 PolarHBondContact N-OH 3.3Å; K459-M527 HydrophobicContact CD-CE 4.36Å; K459-M527 HydrophobicContact CD-SD 4.39Å
460	D	93.3	Very high	97.3	Very high	158 Å²	158	31.7 Å²	31.7	85%	0.845	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	-166.7	-59.4	-21.1	0	0	0	115.3
461	D	90	Very high	97.3	Very high	72 Å²	72	31.7 Å²	31.7	39%	0.385	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.9	-177.8	77.5	-66.4	0	0	0	113.7	K459 R592	K459-D461 VanDerWaalsContact C-N 3.28Å; K459-D461 WeakPolarHBondContact CE-OD1 3.48Å; K459-D461 WeakPolarHBondContact CG-OD1 3.41Å; K459-D461 VanDerWaalsContact NZ-CG 3.34Å; K459-D461 IonicContact NZ-OD1 3.47Å; K459-D461 PolarHBondContact NZ-OD1 3.46Å; K459-D461 IonicContact NZ-OD2 3.53Å; K459-D461 PolarHBondContact NZ-OD2 3.34Å; K459-D461 PolarHBondContact O-N 3.35Å; K459-D461 VanDerWaalsContact O-N 3.13Å; D461-R592 PolarHBondContact O-NH1 2.83Å; D461-R592 PolarHBondContact O-NH2 3.14Å; D461-R592 IonicContact OD2-CZ 3.94Å; D461-R592 IonicContact OD2-NH1 3Å; D461-R592 PolarHBondContact OD2-NH1 3.01Å; D461-R592 IonicContact OD2-NH2 3.91Å; D461-R592 PolarHBondContact OD2-NH2 3.47Å; D461-R592 VanDerWaalsContact OD2-NH2 3.12Å
462	D	94	Very high	97.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	17%	0.167	C	C	.	.	S	Bend	trans	-72.7	153	173.6	-78.7	-0.8	0	0	0	111.2	R421 K459 P464 Y497	R421-D462 IonicContact NE-OD2 2.67Å; K459-D462 VanDerWaalsContact CE-OD1 3.31Å; K459-D462 WeakPolarHBondContact CE-OD1 3.25Å; K459-D462 IonicContact NZ-OD1 3.52Å; K459-D462 WeakPolarHBondContact O-CB 3.38Å; K459-D462 PolarHBondContact O-N 3.42Å; D462-P464 WeakPolarHBondContact O-CD 3.2Å; D462-Y497 PolarHBondContact OD2-OH 2.92Å
463	V	95.2	Very high	97.2	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.4	125.9	177	-178.1	0	0	0	0	109.1	P423 W467 R468 Y617 Y618	P423-V463 HydrophobicContact CG-CB 4.22Å; P423-V463 HydrophobicContact CG-CG2 3.8Å; V463-W467 HydrophobicContact CG1-CB 3.72Å; V463-R468 HydrophobicContact CB-CG 3.91Å; V463-R468 HydrophobicContact CG1-CG 3.84Å; V463-R468 WeakPolarHBondContact O-CD 3.44Å; V463-R468 PolarHBondContact O-NE 3.48Å; V463-Y617 HydrophobicContact CB-CE1 4.33Å; V463-Y617 HydrophobicContact CG1-CD1 4.05Å; V463-Y617 HydrophobicContact CG1-CE1 4Å; V463-Y617 HydrophobicContact CG2-CD1 4.38Å; V463-Y617 HydrophobicContact CG2-CE1 3.99Å; V463-Y618 VanDerWaalsContact CG2-OH 3.26Å; V463-Y618 WeakPolarHBondContact CG2-OH 3.2Å
464	P	97.1	Very high	97.2	Very high	49 Å²	49	34.4 Å²	34.4	32%	0.318	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-58	148.9	-178.4	-25.6	32.8	0	0	0	112.7	D462 W467 R468 Y617	D462-P464 WeakPolarHBondContact O-CD 3.2Å; P464-W467 PolarHBondContact O-N 2.8Å; P464-W467 VanDerWaalsContact O-N 3.09Å; P464-R468 PolarHBondContact O-N 3.4Å; P464-R468 VanDerWaalsContact O-N 3.07Å; P464-Y617 WeakPolarHBondContact CD-OH 3.26Å; P464-Y617 HydrophobicContact CG-CE2 4.05Å
465	L	98.2	Very high	97.2	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-51.7	-47.4	-176.1	176.3	67.1	0	0	0	114	L393 W467 R468 M469 I490	L393-L465 HydrophobicContact CD1-CD2 4.02Å; L393-L465 HydrophobicContact CD1-CG 3.91Å; L465-W467 VanDerWaalsContact C-N 3.28Å; L465-W467 PolarHBondContact O-N 2.95Å; L465-R468 PolarHBondContact O-N 3.42Å; L465-R468 VanDerWaalsContact O-N 3.14Å; L465-M469 HydrophobicContact CD1-CG 3.95Å; L465-M469 HydrophobicContact CD1-SD 4.25Å; L465-M469 HydrophobicContact CG-CG 4.3Å; L465-M469 WeakPolarHBondContact O-CG 3.48Å; L465-M469 PolarHBondContact O-N 3.18Å; L465-I490 HydrophobicContact CD1-CD1 4.27Å; L465-I490 HydrophobicContact CD1-CG1 4.37Å; L465-I490 HydrophobicContact CD1-CG2 4.44Å; L465-I490 HydrophobicContact CD2-CD1 4.17Å; L465-I490 HydrophobicContact CD2-CG2 4.22Å; L465-I490 HydrophobicContact CG-CD1 4.46Å
466	P	98.2	Very high	97.1	Very high	62 Å²	62	34.9 Å²	34.9	40%	0.403	19%	0.189	S	C	.	.	H	α-helix	trans	-58.8	-37.7	179.2	-24.8	34.8	0	0	0	113.6	L393 M469 K470	L393-P466 HydrophobicContact CD1-CB 4.36Å; L393-P466 HydrophobicContact CD1-CG 4.09Å; P466-M469 PolarHBondContact O-N 3.26Å; P466-K470 WeakPolarHBondContact O-CG 3.49Å; P466-K470 PolarHBondContact O-N 3.25Å
467	W	97.9	Very high	97.1	Very high	48 Å²	48	40.5 Å²	40.5	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-71.2	-37.6	177.4	-71.4	109.7	0	0	0	112.2	V463 P464 L465 K470 Q471 V613 E616 Y617	V463-W467 HydrophobicContact CG1-CB 3.72Å; P464-W467 PolarHBondContact O-N 2.8Å; P464-W467 VanDerWaalsContact O-N 3.09Å; L465-W467 VanDerWaalsContact C-N 3.28Å; L465-W467 PolarHBondContact O-N 2.95Å; W467-K470 HydrophobicContact CE3-CD 4.22Å; W467-K470 HydrophobicContact CZ3-CD 4.4Å; W467-Q471 VanDerWaalsContact O-CB 3.31Å; W467-Q471 WeakPolarHBondContact O-CB 3.42Å; W467-Q471 PolarHBondContact O-N 2.89Å; W467-V613 HydrophobicContact CE3-CG1 4.06Å; W467-E616 HydrophobicContact CH2-CG 3.97Å; W467-E616 HydrophobicContact CZ3-CB 4.27Å; W467-E616 HydrophobicContact CZ3-CG 4.06Å; W467-Y617 HydrophobicContact CB-CD2 4.41Å; W467-Y617 HydrophobicContact CB-CG 4.44Å; W467-Y617 AromaticContact CD1-CD2 3.43Å; W467-Y617 VanDerWaalsContact CD1-CD2 3.43Å; W467-Y617 AromaticContact CD1-CE2 3.83Å; W467-Y617 AromaticContact CD2-CD2 3.88Å; W467-Y617 HydrophobicContact CD2-CD2 3.88Å; W467-Y617 HydrophobicContact CD2-CG 4.16Å; W467-Y617 AromaticContact CE2-CD2 3.78Å; W467-Y617 AromaticContact CG-CD2 3.68Å; W467-Y617 HydrophobicContact CG-CD2 3.68Å; W467-Y617 HydrophobicContact CG-CE2 4.39Å; W467-Y617 HydrophobicContact CG-CG 4.05Å; W467-Y617 AromaticContact NE1-CD2 3.5Å
468	R	98.3	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-44.5	172.3	-71	-173.1	-71.8	112.9	-10.1	111.8	R421 L454 V463 P464 L465 K470 Q471 H472	R421-R468 WeakPolarHBondContact O-CD 3.43Å; R421-R468 PolarHBondContact O-NE 3.14Å; L454-R468 PolarHBondContact O-NH1 3.08Å; L454-R468 PolarHBondContact O-NH2 2.96Å; V463-R468 HydrophobicContact CB-CG 3.91Å; V463-R468 HydrophobicContact CG1-CG 3.84Å; V463-R468 WeakPolarHBondContact O-CD 3.44Å; V463-R468 PolarHBondContact O-NE 3.48Å; P464-R468 PolarHBondContact O-N 3.4Å; P464-R468 VanDerWaalsContact O-N 3.07Å; L465-R468 PolarHBondContact O-N 3.42Å; L465-R468 VanDerWaalsContact O-N 3.14Å; R468-K470 PolarHBondContact O-N 3.07Å; R468-Q471 CarbonylContact O-C 3.48Å; R468-Q471 WeakPolarHBondContact O-CB 3.43Å; R468-Q471 PolarHBondContact O-N 2.94Å; R468-Q471 VanDerWaalsContact O-N 3.11Å; R468-H472 PolarHBondContact O-CD2 3.35Å; R468-H472 PolarHBondContact O-N 3Å; R468-H472 PolarHBondContact O-ND1 2.96Å
469	M	98.6	Very high	97	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.054	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-44.3	178.1	-66.8	-56.6	-65.2	0	0	112	L393 Y396 P453 L465 P466 Q471 H472 A473 V488 I490	L393-M469 HydrophobicContact CD1-CG 4.22Å; L393-M469 HydrophobicContact CD2-CB 4.1Å; L393-M469 HydrophobicContact CD2-CG 4.1Å; Y396-M469 HydrophobicContact CD1-CE 3.74Å; Y396-M469 HydrophobicContact CD2-CE 3.72Å; Y396-M469 HydrophobicContact CE1-CE 4.1Å; Y396-M469 HydrophobicContact CE2-CE 4.07Å; Y396-M469 HydrophobicContact CG-CE 3.55Å; P453-M469 HydrophobicContact CB-SD 4.34Å; P453-M469 HydrophobicContact CG-SD 3.55Å; P453-M469 VanDerWaalsContact CG-SD 3.55Å; L465-M469 HydrophobicContact CD1-CG 3.95Å; L465-M469 HydrophobicContact CD1-SD 4.25Å; L465-M469 HydrophobicContact CG-CG 4.3Å; L465-M469 WeakPolarHBondContact O-CG 3.48Å; L465-M469 PolarHBondContact O-N 3.18Å; P466-M469 PolarHBondContact O-N 3.26Å; M469-Q471 VanDerWaalsContact C-N 3.31Å; M469-Q471 PolarHBondContact O-N 3.46Å; M469-H472 PolarHBondContact O-N 3Å; M469-A473 WeakPolarHBondContact O-CB 3.31Å; M469-A473 PolarHBondContact O-N 2.85Å; M469-V488 HydrophobicContact CE-CG1 3.74Å; M469-I490 HydrophobicContact CE-CD1 4.07Å; M469-I490 HydrophobicContact CE-CG1 3.99Å; M469-I490 HydrophobicContact CG-CD1 4.14Å; M469-I490 HydrophobicContact SD-CD1 3.98Å; M469-I490 HydrophobicContact SD-CG1 3.79Å
470	K	98.4	Very high	97	Very high	111 Å²	111	48.6 Å²	48.6	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-44	171.3	-73.6	179.8	179.8	-176	0	111.9	P466 W467 R468 A473 A474 V613	P466-K470 WeakPolarHBondContact O-CG 3.49Å; P466-K470 PolarHBondContact O-N 3.25Å; W467-K470 HydrophobicContact CE3-CD 4.22Å; W467-K470 HydrophobicContact CZ3-CD 4.4Å; R468-K470 PolarHBondContact O-N 3.07Å; K470-A473 PolarHBondContact O-N 3.3Å; K470-A474 PolarHBondContact O-N 3.23Å; K470-A474 VanDerWaalsContact O-N 3.1Å; K470-V613 HydrophobicContact CB-CG1 3.87Å
471	Q	98.3	Very high	97.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-40.9	-179.9	-170.3	-86.6	-14.7	0	0	112	P423 V424 W467 R468 M469 A474 V475 M606 A610 V613 L614	P423-Q471 HydrophobicContact CB-CG 4.24Å; V424-Q471 PolarHBondContact O-NE2 2.93Å; W467-Q471 VanDerWaalsContact O-CB 3.31Å; W467-Q471 WeakPolarHBondContact O-CB 3.42Å; W467-Q471 PolarHBondContact O-N 2.89Å; R468-Q471 CarbonylContact O-C 3.48Å; R468-Q471 WeakPolarHBondContact O-CB 3.43Å; R468-Q471 PolarHBondContact O-N 2.94Å; R468-Q471 VanDerWaalsContact O-N 3.11Å; M469-Q471 VanDerWaalsContact C-N 3.31Å; M469-Q471 PolarHBondContact O-N 3.46Å; Q471-A474 WeakPolarHBondContact O-CB 3.33Å; Q471-A474 PolarHBondContact O-N 3.32Å; Q471-V475 WeakPolarHBondContact O-CG2 3.29Å; Q471-V475 PolarHBondContact O-N 2.84Å; Q471-V475 VanDerWaalsContact O-N 3.11Å; Q471-M606 PolarHBondContact NE2-SD 2.88Å; Q471-M606 VanDerWaalsContact NE2-SD 3.44Å; Q471-A610 HydrophobicContact CG-CB 4.16Å; Q471-A610 WeakPolarHBondContact CG-O 3.45Å; Q471-V613 HydrophobicContact CB-CB 4.36Å; Q471-V613 HydrophobicContact CB-CG1 3.99Å; Q471-L614 HydrophobicContact CG-CD2 4.18Å; Q471-L614 HydrophobicContact CG-CG 4.1Å
472	H	98.3	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-38.4	177.2	-59.5	-12	0	0	0	111.8	L420 L451 R468 M469 A474 V475 L476	L420-H472 WeakPolarHBondContact CD1-NE2 3.5Å; L451-H472 HydrophobicContact CD2-CB 4.31Å; R468-H472 PolarHBondContact O-CD2 3.35Å; R468-H472 PolarHBondContact O-N 3Å; R468-H472 PolarHBondContact O-ND1 2.96Å; M469-H472 PolarHBondContact O-N 3Å; H472-A474 VanDerWaalsContact C-N 3.3Å; H472-A474 PolarHBondContact O-N 3.28Å; H472-V475 WeakPolarHBondContact O-CB 3.5Å; H472-V475 PolarHBondContact O-N 3.16Å; H472-L476 PolarHBondContact O-N 2.96Å; H472-L476 VanDerWaalsContact O-N 3.12Å
473	A	98.2	Very high	97.8	Very high	50 Å²	50	43 Å²	43	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-42.1	172.7	0	0	0	0	0	111.4	M469 K470 V475 L476 E477	M469-A473 WeakPolarHBondContact O-CB 3.31Å; M469-A473 PolarHBondContact O-N 2.85Å; K470-A473 PolarHBondContact O-N 3.3Å; A473-V475 PolarHBondContact O-N 2.9Å; A473-L476 PolarHBondContact O-N 3.44Å; A473-E477 WeakPolarHBondContact O-CB 3.2Å; A473-E477 PolarHBondContact O-N 2.77Å
474	A	98.3	Very high	97.9	Very high	6 Å²	6	48.9 Å²	48.9	5%	0.05	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-36.6	175.7	0	0	0	0	0	113.1	K470 Q471 H472 L476 E477 E478 K609 A610 V613	K470-A474 PolarHBondContact O-N 3.23Å; K470-A474 VanDerWaalsContact O-N 3.1Å; Q471-A474 WeakPolarHBondContact O-CB 3.33Å; Q471-A474 PolarHBondContact O-N 3.32Å; H472-A474 VanDerWaalsContact C-N 3.3Å; H472-A474 PolarHBondContact O-N 3.28Å; A474-L476 VanDerWaalsContact C-N 3.33Å; A474-L476 PolarHBondContact O-N 3.35Å; A474-E477 PolarHBondContact O-N 2.72Å; A474-E478 PolarHBondContact O-N 3.18Å; A474-K609 HydrophobicContact CB-CB 3.96Å; A474-A610 HydrophobicContact CB-CB 4.13Å; A474-V613 HydrophobicContact CB-CG2 4.28Å
475	V	98.3	Very high	97.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-40.8	173.8	171.6	0	0	0	0	111.7	V424 Q471 H472 A473 R479 V480 L481 A610	V424-V475 HydrophobicContact CB-CG2 4.19Å; V424-V475 HydrophobicContact CG1-CG1 4.04Å; V424-V475 HydrophobicContact CG1-CG2 4.3Å; Q471-V475 WeakPolarHBondContact O-CG2 3.29Å; Q471-V475 PolarHBondContact O-N 2.84Å; Q471-V475 VanDerWaalsContact O-N 3.11Å; H472-V475 WeakPolarHBondContact O-CB 3.5Å; H472-V475 PolarHBondContact O-N 3.16Å; A473-V475 PolarHBondContact O-N 2.9Å; V475-R479 PolarHBondContact O-N 3.34Å; V475-V480 HydrophobicContact CG1-CB 3.85Å; V475-V480 HydrophobicContact CG1-CG1 4.07Å; V475-V480 PolarHBondContact O-N 2.82Å; V475-L481 HydrophobicContact CG1-CD1 4.17Å; V475-L481 HydrophobicContact CG1-CG 4.17Å; V475-A610 HydrophobicContact CG2-CB 3.51Å
476	L	97.8	Very high	97.9	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-38.1	176.4	-71.8	165.4	0	0	0	112.1	H472 A473 A474 E478 R479 L481 P483 T486 V488	H472-L476 PolarHBondContact O-N 2.96Å; H472-L476 VanDerWaalsContact O-N 3.12Å; A473-L476 PolarHBondContact O-N 3.44Å; A474-L476 VanDerWaalsContact C-N 3.33Å; A474-L476 PolarHBondContact O-N 3.35Å; L476-E478 VanDerWaalsContact C-N 3.28Å; L476-E478 PolarHBondContact O-N 3.04Å; L476-R479 WeakPolarHBondContact O-CA 3.47Å; L476-R479 PolarHBondContact O-N 3Å; L476-L481 HydrophobicContact CD2-CB 3.66Å; L476-P483 HydrophobicContact CD2-CB 4.39Å; L476-T486 HydrophobicContact CD2-CG2 4.05Å; L476-V488 HydrophobicContact CD1-CG2 3.36Å
477	E	97.8	Very high	98	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-61.5	-37.9	176.4	-167	-170.9	171	0	0	111.8	A473 A474 R479 K609	A473-E477 WeakPolarHBondContact O-CB 3.2Å; A473-E477 PolarHBondContact O-N 2.77Å; A474-E477 PolarHBondContact O-N 2.72Å; E477-R479 PolarHBondContact O-N 3.09Å; E477-K609 IonicContact OE1-NZ 3.56Å; E477-K609 PolarHBondContact OE1-NZ 2.73Å; E477-K609 WeakPolarHBondContact OE2-CD 3.29Å; E477-K609 IonicContact OE2-NZ 3.3Å
478	E	97.4	Very high	98	Very high	64 Å²	64	43.9 Å²	43.9	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.7	173.4	-71.3	-172	-97.3	0	0	113.9	A474 L476 V480 A607 L608 K609 A610	A474-E478 PolarHBondContact O-N 3.18Å; L476-E478 VanDerWaalsContact C-N 3.28Å; L476-E478 PolarHBondContact O-N 3.04Å; E478-V480 HydrophobicContact CB-CG2 4.4Å; E478-V480 PolarHBondContact O-N 3.17Å; E478-V480 VanDerWaalsContact O-N 3.12Å; E478-A607 HydrophobicContact CB-CB 4.14Å; E478-A607 HydrophobicContact CG-CB 4.38Å; E478-A607 WeakPolarHBondContact OE1-CB 2.98Å; E478-L608 PolarHBondContact OE1-N 2.84Å; E478-L608 PolarHBondContact OE2-N 3.38Å; E478-L608 VanDerWaalsContact OE2-N 3.12Å; E478-K609 HydrophobicContact CG-CB 4.16Å; E478-K609 HydrophobicContact CG-CD 3.93Å; E478-K609 HydrophobicContact CG-CG 3.99Å; E478-K609 WeakPolarHBondContact OE1-CA 3.4Å; E478-K609 WeakPolarHBondContact OE1-CB 3.35Å; E478-K609 PolarHBondContact OE1-N 3.19Å; E478-A610 PolarHBondContact OE1-N 2.95Å
479	R	97.6	Very high	98	Very high	184 Å²	184	43.9 Å²	43.9	69%	0.694	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	28.8	179.1	-59	-171.9	171	-141.2	-5.9	114.1	V475 L476 E477 L481	V475-R479 PolarHBondContact O-N 3.34Å; L476-R479 WeakPolarHBondContact O-CA 3.47Å; L476-R479 PolarHBondContact O-N 3Å; E477-R479 PolarHBondContact O-N 3.09Å; R479-L481 CarbonylContact C-O 3.58Å; R479-L481 WeakPolarHBondContact CA-O 3.2Å
480	V	97.1	Very high	98.1	Very high	28 Å²	28	43.3 Å²	43.3	17%	0.17	22%	0.221	C	C	.	.	S	Bend	trans	-65.5	-37.1	167.2	172.6	0	0	0	0	109.4	A429 Q433 V475 E478 A607	A429-V480 HydrophobicContact CB-CG1 3.56Å; Q433-V480 PolarHBondContact NE2-O 3.09Å; V475-V480 HydrophobicContact CG1-CB 3.85Å; V475-V480 HydrophobicContact CG1-CG1 4.07Å; V475-V480 PolarHBondContact O-N 2.82Å; E478-V480 HydrophobicContact CB-CG2 4.4Å; E478-V480 PolarHBondContact O-N 3.17Å; E478-V480 VanDerWaalsContact O-N 3.12Å; V480-A607 HydrophobicContact CG2-CB 3.73Å
481	L	97.8	Very high	98.1	Very high	7 Å²	7	38 Å²	38	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-114	143.5	163.4	-61.8	173.3	0	0	0	107.7	A429 M432 L449 L451 V475 L476 R479 P483	A429-L481 HydrophobicContact CB-CD2 4.32Å; M432-L481 HydrophobicContact CB-CD2 4.01Å; M432-L481 HydrophobicContact CE-CD1 3.68Å; M432-L481 HydrophobicContact CE-CD2 4.07Å; M432-L481 HydrophobicContact CE-CG 4.43Å; M432-L481 HydrophobicContact SD-CD1 4.01Å; M432-L481 HydrophobicContact SD-CD2 4.29Å; L449-L481 HydrophobicContact CD2-CD1 4.06Å; L449-L481 HydrophobicContact CD2-CD2 4.16Å; L451-L481 HydrophobicContact CD2-CD1 4.14Å; V475-L481 HydrophobicContact CG1-CD1 4.17Å; V475-L481 HydrophobicContact CG1-CG 4.17Å; L476-L481 HydrophobicContact CD2-CB 3.66Å; R479-L481 CarbonylContact C-O 3.58Å; R479-L481 WeakPolarHBondContact CA-O 3.2Å; L481-P483 WeakPolarHBondContact O-CD 3.43Å
482	D	97.6	Very high	98.1	Very high	60 Å²	60	38.2 Å²	38.2	32%	0.321	20%	0.199	S	C	.	.			trans	-78.4	116.9	-179.7	172	30.4	0	0	0	110.6	D484 S485 T486	D482-D484 VanDerWaalsContact C-N 3.26Å; D482-D484 PolarHBondContact O-N 2.77Å; D482-D484 PolarHBondContact OD1-N 2.85Å; D482-S485 WeakPolarHBondContact CB-OG 3.39Å; D482-S485 PolarHBondContact O-N 3.46Å; D482-S485 WeakPolarHBondContact OD2-CB 3.42Å; D482-S485 PolarHBondContact OD2-N 2.85Å; D482-S485 PolarHBondContact OD2-OG 3.21Å; D482-T486 VanDerWaalsContact O-CB 3.22Å; D482-T486 WeakPolarHBondContact O-CB 3.09Å; D482-T486 PolarHBondContact O-N 3.22Å; D482-T486 PolarHBondContact O-OG1 3.04Å
483	P	97.6	Very high	98.1	Very high	52 Å²	52	38.1 Å²	38.1	34%	0.338	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.9	-26.1	-179.6	27.5	-35.2	0	0	0	113.5	L476 L481 S485 T486	L476-P483 HydrophobicContact CD2-CB 4.39Å; L481-P483 WeakPolarHBondContact O-CD 3.43Å; P483-S485 VanDerWaalsContact C-N 3.29Å; P483-S485 PolarHBondContact O-N 3.3Å; P483-T486 PolarHBondContact O-N 2.81Å
484	D	97.1	Very high	98.2	Very high	125 Å²	125	35.8 Å²	35.8	67%	0.668	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-74.9	-23.2	-177.5	-64.8	-26.6	0	0	0	112	M410 D482	M410-D484 WeakPolarHBondContact CE-O 3.36Å; D482-D484 VanDerWaalsContact C-N 3.26Å; D482-D484 PolarHBondContact O-N 2.77Å; D482-D484 PolarHBondContact OD1-N 2.85Å
485	S	97.8	Very high	98.2	Very high	17 Å²	17	35.5 Å²	35.5	12%	0.119	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-112	16.6	176.4	57.7	0	0	0	0	113.6	Q436 V448 L449 D482 P483	Q436-S485 PolarHBondContact NE2-OG 3Å; V448-S485 WeakPolarHBondContact CA-O 3.4Å; L449-S485 PolarHBondContact N-O 3.2Å; D482-S485 WeakPolarHBondContact CB-OG 3.39Å; D482-S485 PolarHBondContact O-N 3.46Å; D482-S485 WeakPolarHBondContact OD2-CB 3.42Å; D482-S485 PolarHBondContact OD2-N 2.85Å; D482-S485 PolarHBondContact OD2-OG 3.21Å; P483-S485 VanDerWaalsContact C-N 3.29Å; P483-S485 PolarHBondContact O-N 3.3Å
486	T	98.8	Very high	98.2	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	-179	-58.4	0	0	0	0	112.7	L449 L451 L476 D482 P483 V488	L449-T486 HydrophobicContact CB-CG2 4.25Å; L449-T486 HydrophobicContact CD2-CG2 3.87Å; L449-T486 HydrophobicContact CG-CG2 4.02Å; L449-T486 CarbonylContact O-C 3.57Å; L449-T486 WeakPolarHBondContact O-CA 3.26Å; L451-T486 HydrophobicContact CB-CG2 3.93Å; L476-T486 HydrophobicContact CD2-CG2 4.05Å; D482-T486 VanDerWaalsContact O-CB 3.22Å; D482-T486 WeakPolarHBondContact O-CB 3.09Å; D482-T486 PolarHBondContact O-N 3.22Å; D482-T486 PolarHBondContact O-OG1 3.04Å; P483-T486 PolarHBondContact O-N 2.81Å; T486-V488 HydrophobicContact CG2-CG2 4.29Å
487	I	98.8	Very high	98.3	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.4	163.7	-70.9	164.7	0	0	0	108.9	L398 L403 K406 F407 M410 V448 L449 L450 L451 A489	L398-I487 HydrophobicContact CD1-CG2 4.47Å; L403-I487 HydrophobicContact CD2-CG2 4.02Å; K406-I487 HydrophobicContact CB-CD1 3.77Å; F407-I487 HydrophobicContact CD1-CD1 3.45Å; F407-I487 VanDerWaalsContact CD1-CD1 3.45Å; F407-I487 HydrophobicContact CE1-CD1 3.41Å; F407-I487 VanDerWaalsContact CE1-CD1 3.41Å; M410-I487 HydrophobicContact SD-CD1 3.44Å; M410-I487 WeakPolarHBondContact SD-CD1 3.48Å; M410-I487 HydrophobicContact SD-CG1 3.59Å; M410-I487 VanDerWaalsContact SD-CG1 3.59Å; V448-I487 HydrophobicContact CG1-CD1 4.1Å; V448-I487 HydrophobicContact CG1-CG1 4.31Å; L449-I487 PolarHBondContact O-N 2.93Å; L450-I487 HydrophobicContact CD1-CB 4.41Å; L450-I487 HydrophobicContact CD1-CG2 4Å; L451-I487 PolarHBondContact N-O 3.33Å; I487-A489 HydrophobicContact CG2-CB 4.43Å
488	V	98.8	Very high	98.3	Very high	27 Å²	27	28.4 Å²	28.4	16%	0.164	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.5	167.9	-170.1	0	0	0	0	109.2	L451 M469 L476 T486	L451-V488 HydrophobicContact CB-CG2 4.49Å; L451-V488 HydrophobicContact CD2-CG2 4.22Å; L451-V488 WeakPolarHBondContact O-CA 2.97Å; M469-V488 HydrophobicContact CE-CG1 3.74Å; L476-V488 HydrophobicContact CD1-CG2 3.36Å; T486-V488 HydrophobicContact CG2-CG2 4.29Å
489	A	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.			trans	-140	155.3	176.5	0	0	0	0	0	111	Y396 L398 L403 L450 L451 H452 P453 I487	Y396-A489 CarbonylContact O-C 3.54Å; Y396-A489 VanDerWaalsContact O-CA 3.25Å; Y396-A489 WeakPolarHBondContact O-CA 3.1Å; L398-A489 HydrophobicContact CB-CB 4.41Å; L398-A489 HydrophobicContact CD1-CB 4.22Å; L398-A489 HydrophobicContact CG-CB 4.4Å; L403-A489 HydrophobicContact CD2-CB 3.84Å; L450-A489 HydrophobicContact CD1-CB 4.24Å; L451-A489 PolarHBondContact O-N 3.47Å; H452-A489 WeakPolarHBondContact CA-O 3.27Å; H452-A489 PolarHBondContact CD2-O 2.92Å; P453-A489 WeakPolarHBondContact CD-O 3.31Å; P453-A489 WeakPolarHBondContact CG-O 3.15Å; I487-A489 HydrophobicContact CG2-CB 4.43Å
490	I	98.9	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.			trans	-100.8	121.8	-179.5	-65.9	171	0	0	0	109	L393 Y396 R397 P453 L465 M469	L393-I490 HydrophobicContact CB-CD1 3.85Å; L393-I490 HydrophobicContact CD1-CD1 4.32Å; Y396-I490 HydrophobicContact CG-CD1 4.44Å; Y396-I490 PolarHBondContact O-N 2.88Å; R397-I490 HydrophobicContact CG-CB 4.03Å; R397-I490 HydrophobicContact CG-CD1 4.48Å; R397-I490 HydrophobicContact CG-CG2 4.2Å; P453-I490 HydrophobicContact CG-CG1 4.46Å; P453-I490 WeakPolarHBondContact O-CA 3.48Å; L465-I490 HydrophobicContact CD1-CD1 4.27Å; L465-I490 HydrophobicContact CD1-CG1 4.37Å; L465-I490 HydrophobicContact CD1-CG2 4.44Å; L465-I490 HydrophobicContact CD2-CD1 4.17Å; L465-I490 HydrophobicContact CD2-CG2 4.22Å; L465-I490 HydrophobicContact CG-CD1 4.46Å; M469-I490 HydrophobicContact CE-CD1 4.07Å; M469-I490 HydrophobicContact CE-CG1 3.99Å; M469-I490 HydrophobicContact CG-CD1 4.14Å; M469-I490 HydrophobicContact SD-CD1 3.98Å; M469-I490 HydrophobicContact SD-CG1 3.79Å
491	F	98.9	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-82.5	121.6	173.7	175.7	-129.9	0	0	0	110	W274 H452 P453 L454 G455 S493 W505 A509	W274-F491 HydrophobicContact CB-CE2 4.5Å; W274-F491 HydrophobicContact CD2-CD2 4.01Å; W274-F491 AromaticContact CD2-CE2 3.79Å; W274-F491 HydrophobicContact CD2-CE2 3.79Å; W274-F491 AromaticContact CE3-CD2 3.94Å; W274-F491 HydrophobicContact CE3-CD2 3.94Å; W274-F491 AromaticContact CE3-CE2 3.72Å; W274-F491 HydrophobicContact CE3-CE2 3.72Å; W274-F491 HydrophobicContact CG-CE2 4.16Å; W274-F491 HydrophobicContact CH2-CD2 4.21Å; W274-F491 HydrophobicContact CZ2-CD2 4.28Å; W274-F491 HydrophobicContact CZ3-CD2 4.02Å; W274-F491 HydrophobicContact CZ3-CE2 4.23Å; H452-F491 PolarHBondContact CD2-N 2.87Å; P453-F491 PolarHBondContact O-N 3.45Å; L454-F491 HydrophobicContact CB-CD1 4.47Å; L454-F491 HydrophobicContact CD1-CD1 4.13Å; L454-F491 HydrophobicContact CD1-CE1 4.41Å; L454-F491 HydrophobicContact CG-CD1 4.29Å; G455-F491 PolarHBondContact N-O 3.48Å; F491-S493 VanDerWaalsContact C-N 3.3Å; F491-S493 PolarHBondContact O-N 2.93Å; F491-W505 AromaticContact CE1-NE1 3.99Å; F491-W505 HydrophobicContact CE2-CZ2 4.29Å; F491-W505 AromaticContact CZ-CE2 3.76Å; F491-W505 AromaticContact CZ-CZ2 3.68Å; F491-W505 HydrophobicContact CZ-CZ2 3.68Å; F491-W505 AromaticContact CZ-NE1 3.72Å; F491-A509 HydrophobicContact CE2-CB 3.72Å; F491-A509 HydrophobicContact CZ-CB 3.69Å
492	P	98.9	Very high	98.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.019	10%	0.098	C	C	.	.			trans	-77.8	-9.7	-167.2	29.9	-36.9	0	0	0	114.9	Q268 V269 G456	Q268-P492 HydrophobicContact CB-CB 4.48Å; Q268-P492 HydrophobicContact CG-CB 3.96Å; Q268-P492 HydrophobicContact CG-CG 4.28Å; V269-P492 HydrophobicContact CG2-CG 4.27Å; G456-P492 WeakPolarHBondContact CA-O 3.37Å
493	S	98.8	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-59	140.2	-176.7	-175.3	0	0	0	0	112.6	L454 G456 F491 W505	L454-S493 WeakPolarHBondContact CD1-O 3.5Å; L454-S493 VanDerWaalsContact CD2-O 3.23Å; L454-S493 WeakPolarHBondContact CD2-O 3.43Å; L454-S493 WeakPolarHBondContact CG-O 3.17Å; G456-S493 VanDerWaalsContact CA-O 3.3Å; G456-S493 WeakPolarHBondContact CA-O 3.17Å; G456-S493 PolarHBondContact N-O 3.23Å; F491-S493 VanDerWaalsContact C-N 3.3Å; F491-S493 PolarHBondContact O-N 2.93Å; S493-W505 PolarHBondContact OG-NE1 3.17Å
494	P	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-56.5	145.2	157.9	-26.1	38.7	0	0	0	111.6	L262 Q265 W266 Y365 W457	L262-P494 HydrophobicContact CD1-CB 3.57Å; L262-P494 HydrophobicContact CD1-CG 3.58Å; Q265-P494 HydrophobicContact CB-CG 3.83Å; W266-P494 HydrophobicContact CD2-CG 4.13Å; W266-P494 HydrophobicContact CG-CG 4.34Å; W266-P494 HydrophobicContact CZ2-CB 4.06Å; W266-P494 HydrophobicContact CZ2-CG 4.01Å; Y365-P494 HydrophobicContact CE2-CB 4.01Å; W457-P494 HydrophobicContact CB-CB 4.25Å
495	M	98.9	Very high	98.8	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	4%	0.035	C	C	.	.	P	Polyproline II helix	trans	-87.9	123.8	172.5	-173.5	75.1	-164	0	0	109.5	Y365 L454 W457 T458 Y497 E502 A525	Y365-M495 VanDerWaalsContact CD2-O 3.26Å; Y365-M495 WeakPolarHBondContact CD2-O 3.27Å; L454-M495 HydrophobicContact CD1-CB 3.94Å; L454-M495 HydrophobicContact CD1-CG 4.49Å; L454-M495 HydrophobicContact CD1-SD 3.78Å; L454-M495 HydrophobicContact CD2-CB 3.81Å; W457-M495 VanDerWaalsContact CE3-O 3.3Å; W457-M495 VanDerWaalsContact CZ3-O 3.25Å; W457-M495 WeakPolarHBondContact CZ3-O 3.49Å; W457-M495 WeakPolarHBondContact O-CB 3.25Å; W457-M495 PolarHBondContact O-N 3.31Å; T458-M495 HydrophobicContact CG2-CB 4.23Å; M495-Y497 HydrophobicContact CB-CD2 4.44Å; M495-Y497 HydrophobicContact CB-CE2 3.88Å; M495-Y497 HydrophobicContact CE-CD1 4.16Å; M495-Y497 HydrophobicContact CE-CE1 4.47Å; M495-Y497 HydrophobicContact CE-CG 4.48Å; M495-Y497 HydrophobicContact CG-CD1 4.06Å; M495-Y497 HydrophobicContact CG-CD2 3.86Å; M495-Y497 HydrophobicContact CG-CE1 3.79Å; M495-Y497 HydrophobicContact CG-CE2 3.55Å; M495-Y497 HydrophobicContact CG-CG 4.08Å; M495-Y497 VanDerWaalsContact CG-CZ 3.49Å; M495-E502 WeakPolarHBondContact CE-OE2 3.49Å; M495-A525 HydrophobicContact CE-CB 3.61Å
496	M	98.9	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.			trans	-94	-19.1	-178	-71.1	155.7	-77.5	0	0	113.3	W266 V306 Q355 W356 H363 Y365 A498 E502 W505	W266-M496 HydrophobicContact CH2-CE 3.86Å; W266-M496 HydrophobicContact CH2-SD 4.16Å; W266-M496 HydrophobicContact CZ2-CE 4.2Å; W266-M496 HydrophobicContact CZ2-SD 4.06Å; V306-M496 HydrophobicContact CB-CE 4.08Å; V306-M496 HydrophobicContact CB-SD 3.79Å; V306-M496 HydrophobicContact CG1-CE 3.81Å; V306-M496 HydrophobicContact CG1-SD 3.78Å; V306-M496 HydrophobicContact CG2-CE 4.07Å; V306-M496 HydrophobicContact CG2-SD 4.29Å; Q355-M496 PolarHBondContact NE2-SD 3.34Å; Q355-M496 VanDerWaalsContact NE2-SD 3.38Å; W356-M496 HydrophobicContact CZ2-CB 4.06Å; W356-M496 HydrophobicContact CZ2-CG 4.32Å; W356-M496 PolarHBondContact NE1-O 3.45Å; H363-M496 PolarHBondContact CE1-O 3.02Å; Y365-M496 HydrophobicContact CD1-CG 4.32Å; Y365-M496 HydrophobicContact CD2-CB 4.36Å; Y365-M496 HydrophobicContact CD2-CG 3.98Å; Y365-M496 HydrophobicContact CE1-CG 4.1Å; Y365-M496 HydrophobicContact CE2-CG 3.74Å; Y365-M496 HydrophobicContact CG-CB 4.44Å; Y365-M496 HydrophobicContact CG-CG 4.25Å; M496-A498 VanDerWaalsContact C-N 3.26Å; M496-A498 HydrophobicContact CB-CB 4.2Å; M496-A498 PolarHBondContact O-N 3.36Å; M496-E502 HydrophobicContact CE-CG 3.95Å; M496-E502 PolarHBondContact N-OE1 3.46Å; M496-E502 PolarHBondContact N-OE2 3.32Å; M496-W505 HydrophobicContact CE-CG 4.47Å
497	Y	98.8	Very high	98.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.			trans	56.1	37.9	-170.8	-51.8	-92.8	0	0	0	113	H363 W457 T458 K459 D462 M495 E502 A525 M527 Y537	H363-Y497 PolarHBondContact NE2-O 3.3Å; W457-Y497 HydrophobicContact CH2-CE2 4.3Å; W457-Y497 HydrophobicContact CZ3-CD2 4.2Å; W457-Y497 AromaticContact CZ3-CE2 3.73Å; W457-Y497 HydrophobicContact CZ3-CE2 3.73Å; T458-Y497 WeakPolarHBondContact CA-OH 3.32Å; T458-Y497 WeakPolarHBondContact CB-OH 3.44Å; K459-Y497 HydrophobicContact CB-CE2 3.97Å; K459-Y497 HydrophobicContact CD-CD1 4.18Å; K459-Y497 HydrophobicContact CD-CE1 3.66Å; K459-Y497 HydrophobicContact CD-CE2 4.06Å; K459-Y497 HydrophobicContact CG-CE1 4.11Å; K459-Y497 HydrophobicContact CG-CE2 4.09Å; K459-Y497 WeakPolarHBondContact CG-OH 3.43Å; K459-Y497 PolarHBondContact N-OH 3.3Å; D462-Y497 PolarHBondContact OD2-OH 2.92Å; M495-Y497 HydrophobicContact CB-CD2 4.44Å; M495-Y497 HydrophobicContact CB-CE2 3.88Å; M495-Y497 HydrophobicContact CE-CD1 4.16Å; M495-Y497 HydrophobicContact CE-CE1 4.47Å; M495-Y497 HydrophobicContact CE-CG 4.48Å; M495-Y497 HydrophobicContact CG-CD1 4.06Å; M495-Y497 HydrophobicContact CG-CD2 3.86Å; M495-Y497 HydrophobicContact CG-CE1 3.79Å; M495-Y497 HydrophobicContact CG-CE2 3.55Å; M495-Y497 HydrophobicContact CG-CG 4.08Å; M495-Y497 VanDerWaalsContact CG-CZ 3.49Å; Y497-E502 VanDerWaalsContact CA-OE2 3.27Å; Y497-E502 WeakPolarHBondContact CA-OE2 3.43Å; Y497-E502 PolarHBondContact N-OE2 3.35Å; Y497-A525 CarbonylContact C-O 3.53Å; Y497-A525 VanDerWaalsContact CA-O 3.23Å; Y497-A525 WeakPolarHBondContact CA-O 3.48Å; Y497-M527 VanDerWaalsContact CB-SD 3.59Å; Y497-M527 HydrophobicContact CD1-CB 4.29Å; Y497-M527 HydrophobicContact CD1-SD 4.18Å; Y497-M527 HydrophobicContact CG-SD 3.87Å; Y497-Y537 WeakPolarHBondContact O-CE2 3.49Å; Y497-Y537 PolarHBondContact O-OH 3.31Å
498	A	98.8	Very high	98.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.			trans	-99.5	20.2	-174.6	0	0	0	0	0	114.3	W356 M496 T501 E502 Y537	W356-A498 HydrophobicContact CD2-CB 4.44Å; W356-A498 HydrophobicContact CG-CB 4.09Å; M496-A498 VanDerWaalsContact C-N 3.26Å; M496-A498 HydrophobicContact CB-CB 4.2Å; M496-A498 PolarHBondContact O-N 3.36Å; A498-T501 PolarHBondContact O-N 3.42Å; A498-T501 VanDerWaalsContact O-N 3.16Å; A498-E502 HydrophobicContact CB-CB 3.81Å; A498-E502 PolarHBondContact N-OE2 2.95Å; A498-E502 PolarHBondContact O-N 3.19Å; A498-Y537 WeakPolarHBondContact CA-OH 3.36Å
499	G	98.7	Very high	98.8	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	55.1	-127.5	167.7	0	0	0	0	0	114.6	T501 E502 V503 P524 A525 Y537	G499-T501 PolarHBondContact O-N 3.42Å; G499-E502 PolarHBondContact O-N 3.49Å; G499-E502 VanDerWaalsContact O-N 3.16Å; G499-V503 PolarHBondContact O-N 3.49Å; G499-P524 CarbonylContact C-O 3.57Å; G499-P524 WeakPolarHBondContact CA-O 3.32Å; G499-A525 PolarHBondContact N-O 3.27Å; G499-A525 VanDerWaalsContact N-O 3.08Å; G499-Y537 VanDerWaalsContact CA-CD2 3.49Å; G499-Y537 VanDerWaalsContact CA-CE2 3.47Å; G499-Y537 VanDerWaalsContact N-CE2 3.33Å
500	P	98.8	Very high	98.8	Very high	17 Å²	17	2.3 Å²	2.3	11%	0.11	1%	0.014	C	C	.	.	H	α-helix	trans	-58.2	-27.6	-179.2	-23.9	33.7	0	0	0	115.3	Q504 Y537 H541 V545	P500-Q504 PolarHBondContact O-NE2 2.86Å; P500-Y537 HydrophobicContact CG-CD1 4.4Å; P500-H541 HydrophobicContact CB-CB 4.41Å; P500-H541 HydrophobicContact CG-CB 3.57Å; P500-V545 HydrophobicContact CB-CB 4.27Å; P500-V545 HydrophobicContact CB-CG2 4.03Å
501	T	98.9	Very high	98.8	Very high	23 Å²	23	2.6 Å²	2.6	14%	0.141	2%	0.016	C	C	.	.	H	α-helix	trans	-73.1	-47.4	175.8	-57	0	0	0	0	110.1	S305 Q355 A498 G499	S305-T501 WeakPolarHBondContact CB-O 3.34Å; S305-T501 WeakPolarHBondContact O-CG2 3.22Å; S305-T501 PolarHBondContact OG-O 2.76Å; Q355-T501 WeakPolarHBondContact O-CB 3.5Å; Q355-T501 PolarHBondContact O-OG1 3.36Å; A498-T501 PolarHBondContact O-N 3.42Å; A498-T501 VanDerWaalsContact O-N 3.16Å; G499-T501 PolarHBondContact O-N 3.42Å
502	E	98.9	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-74.5	-30.6	-177.7	173.9	174.3	-156.3	0	0	113.5	M495 M496 Y497 A498 G499 Q504 W505 H506 A525	M495-E502 WeakPolarHBondContact CE-OE2 3.49Å; M496-E502 HydrophobicContact CE-CG 3.95Å; M496-E502 PolarHBondContact N-OE1 3.46Å; M496-E502 PolarHBondContact N-OE2 3.32Å; Y497-E502 VanDerWaalsContact CA-OE2 3.27Å; Y497-E502 WeakPolarHBondContact CA-OE2 3.43Å; Y497-E502 PolarHBondContact N-OE2 3.35Å; A498-E502 HydrophobicContact CB-CB 3.81Å; A498-E502 PolarHBondContact N-OE2 2.95Å; A498-E502 PolarHBondContact O-N 3.19Å; G499-E502 PolarHBondContact O-N 3.49Å; G499-E502 VanDerWaalsContact O-N 3.16Å; E502-Q504 PolarHBondContact O-N 2.7Å; E502-W505 WeakPolarHBondContact O-CA 3.29Å; E502-W505 VanDerWaalsContact O-CB 3.28Å; E502-W505 WeakPolarHBondContact O-CB 3.35Å; E502-W505 PolarHBondContact O-N 3.45Å; E502-H506 VanDerWaalsContact CD-NE2 3.3Å; E502-H506 VanDerWaalsContact CG-CE1 3.46Å; E502-H506 WeakPolarHBondContact CG-CE1 3.28Å; E502-H506 WeakPolarHBondContact CG-NE2 3.43Å; E502-H506 PolarHBondContact O-N 3.27Å; E502-H506 IonicContact OE1-CE1 3.43Å; E502-H506 PolarHBondContact OE1-CE1 2.76Å; E502-H506 IonicContact OE1-NE2 3.85Å; E502-H506 PolarHBondContact OE1-NE2 3.42Å; E502-A525 HydrophobicContact CB-CB 4.04Å; E502-A525 HydrophobicContact CG-CB 3.98Å
503	V	98.8	Very high	98.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-65.3	-28	180	75.5	0	0	0	0	112	G499 H506 C507 Y518 V520 P524 L546	G499-V503 PolarHBondContact O-N 3.49Å; V503-H506 PolarHBondContact O-N 3.23Å; V503-C507 VanDerWaalsContact O-CB 3.26Å; V503-C507 WeakPolarHBondContact O-CB 3.29Å; V503-C507 PolarHBondContact O-N 3.1Å; V503-Y518 HydrophobicContact CG2-CE1 4.26Å; V503-V520 HydrophobicContact CG2-CG2 4.33Å; V503-P524 HydrophobicContact CB-CB 4.12Å; V503-P524 HydrophobicContact CB-CG 4.03Å; V503-P524 HydrophobicContact CG1-CG 4.19Å; V503-P524 HydrophobicContact CG2-CB 3.56Å; V503-P524 HydrophobicContact CG2-CG 3.75Å; V503-L546 HydrophobicContact CB-CD1 4.37Å; V503-L546 HydrophobicContact CG1-CD1 3.92Å; V503-L546 HydrophobicContact CG1-CD2 4.41Å; V503-L546 HydrophobicContact CG1-CG 3.84Å; V503-L546 HydrophobicContact CG2-CD1 3.65Å; V503-L546 HydrophobicContact CG2-CG 4.44Å
504	Q	98.9	Very high	98.7	Very high	2 Å²	2	3.6 Å²	3.6	1%	0.009	3%	0.026	C	C	.	.	H	α-helix	trans	-60.7	-46	168.7	-67.1	179	72.9	0	0	111	D294 N303 S305 P500 E502 C507 R508 V545 L546 A549	D294-Q504 PolarHBondContact OD2-NE2 2.77Å; N303-Q504 PolarHBondContact ND2-OE1 3.03Å; S305-Q504 WeakPolarHBondContact OG-CB 3.31Å; P500-Q504 PolarHBondContact O-NE2 2.86Å; E502-Q504 PolarHBondContact O-N 2.7Å; Q504-C507 WeakPolarHBondContact O-CB 3.35Å; Q504-C507 PolarHBondContact O-N 3.07Å; Q504-R508 WeakPolarHBondContact O-CB 3.49Å; Q504-R508 WeakPolarHBondContact O-CG 3.33Å; Q504-R508 PolarHBondContact O-N 3.25Å; Q504-V545 HydrophobicContact CG-CG1 4.12Å; Q504-L546 HydrophobicContact CB-CD2 4.48Å; Q504-L546 HydrophobicContact CG-CD2 4.16Å; Q504-A549 HydrophobicContact CG-CB 4.19Å
505	W	98.9	Very high	98.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.2	-46.4	173.2	164.3	-118.4	0	0	0	112.5	W266 V269 W274 A275 S305 V306 I308 F491 S493 M496 E502 C507 R508 A509	W266-W505 HydrophobicContact CZ3-CZ2 4.14Å; V269-W505 HydrophobicContact CG1-CH2 3.52Å; V269-W505 HydrophobicContact CG1-CZ2 3.54Å; W274-W505 HydrophobicContact CB-CH2 3.95Å; A275-W505 HydrophobicContact CB-CH2 4.16Å; A275-W505 HydrophobicContact CB-CZ3 4.22Å; S305-W505 PolarHBondContact OG-N 3.11Å; V306-W505 HydrophobicContact CB-CB 4.42Å; V306-W505 HydrophobicContact CG1-CB 3.81Å; V306-W505 HydrophobicContact CG1-CG 4.32Å; V306-W505 HydrophobicContact CG2-CB 3.73Å; V306-W505 HydrophobicContact CG2-CD2 3.76Å; V306-W505 HydrophobicContact CG2-CE3 4.14Å; V306-W505 HydrophobicContact CG2-CG 3.54Å; I308-W505 HydrophobicContact CD1-CH2 4.15Å; I308-W505 HydrophobicContact CD1-CZ3 4.16Å; F491-W505 AromaticContact CE1-NE1 3.99Å; F491-W505 HydrophobicContact CE2-CZ2 4.29Å; F491-W505 AromaticContact CZ-CE2 3.76Å; F491-W505 AromaticContact CZ-CZ2 3.68Å; F491-W505 HydrophobicContact CZ-CZ2 3.68Å; F491-W505 AromaticContact CZ-NE1 3.72Å; S493-W505 PolarHBondContact OG-NE1 3.17Å; M496-W505 HydrophobicContact CE-CG 4.47Å; E502-W505 WeakPolarHBondContact O-CA 3.29Å; E502-W505 VanDerWaalsContact O-CB 3.28Å; E502-W505 WeakPolarHBondContact O-CB 3.35Å; E502-W505 PolarHBondContact O-N 3.45Å; W505-C507 VanDerWaalsContact C-N 3.26Å; W505-C507 PolarHBondContact O-N 3.01Å; W505-R508 HydrophobicContact CE3-CG 4.05Å; W505-A509 HydrophobicContact CH2-CB 4.37Å; W505-A509 HydrophobicContact CZ2-CB 4.49Å; W505-A509 HydrophobicContact CZ3-CB 4.43Å; W505-A509 VanDerWaalsContact O-CB 3.26Å; W505-A509 WeakPolarHBondContact O-CB 3.36Å; W505-A509 PolarHBondContact O-N 2.87Å
506	H	98.9	Very high	98.7	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.009	4%	0.043	C	C	.	.	H	α-helix	trans	-61.6	-36.3	177.2	-65.7	170.3	0	0	0	112.3	Q419 E502 V503 R510 Y518	Q419-H506 HydrophobicContact CG-CB 4.07Å; Q419-H506 WeakPolarHBondContact CG-ND1 3.42Å; Q419-H506 PolarHBondContact NE2-CE1 2.94Å; Q419-H506 PolarHBondContact NE2-ND1 2.72Å; E502-H506 VanDerWaalsContact CD-NE2 3.3Å; E502-H506 VanDerWaalsContact CG-CE1 3.46Å; E502-H506 WeakPolarHBondContact CG-CE1 3.28Å; E502-H506 WeakPolarHBondContact CG-NE2 3.43Å; E502-H506 PolarHBondContact O-N 3.27Å; E502-H506 IonicContact OE1-CE1 3.43Å; E502-H506 PolarHBondContact OE1-CE1 2.76Å; E502-H506 IonicContact OE1-NE2 3.85Å; E502-H506 PolarHBondContact OE1-NE2 3.42Å; V503-H506 PolarHBondContact O-N 3.23Å; H506-R510 VanDerWaalsContact O-CD 3.31Å; H506-R510 WeakPolarHBondContact O-CD 3.38Å; H506-R510 PolarHBondContact O-NH1 2.8Å; H506-Y518 WeakPolarHBondContact CB-OH 3.32Å
507	C	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-71.6	-55.2	178.4	-175	0	0	0	0	111.8	V503 Q504 W505 A509 R510 M511 Y518 L546	V503-C507 VanDerWaalsContact O-CB 3.26Å; V503-C507 WeakPolarHBondContact O-CB 3.29Å; V503-C507 PolarHBondContact O-N 3.1Å; Q504-C507 WeakPolarHBondContact O-CB 3.35Å; Q504-C507 PolarHBondContact O-N 3.07Å; W505-C507 VanDerWaalsContact C-N 3.26Å; W505-C507 PolarHBondContact O-N 3.01Å; C507-A509 VanDerWaalsContact C-N 3.26Å; C507-A509 PolarHBondContact O-N 3.27Å; C507-R510 PolarHBondContact O-N 3.41Å; C507-M511 PolarHBondContact O-N 2.72Å; C507-Y518 HydrophobicContact CB-CD1 3.98Å; C507-Y518 HydrophobicContact CB-CD2 4.15Å; C507-Y518 HydrophobicContact CB-CE1 3.97Å; C507-Y518 HydrophobicContact CB-CE2 4.15Å; C507-Y518 HydrophobicContact CB-CG 4.06Å; C507-Y518 VanDerWaalsContact SG-CG 3.6Å; C507-L546 HydrophobicContact CB-CD2 3.52Å
508	R	98.6	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-34.6	-177.6	75.9	84.4	57.8	-162.1	-2.7	112.5	W274 T276 N303 Q504 W505 R510 M511 V512 L552	W274-R508 PolarHBondContact O-NH1 3.35Å; T276-R508 VanDerWaalsContact O-CZ 3.3Å; T276-R508 PolarHBondContact O-NH1 2.91Å; T276-R508 PolarHBondContact O-NH2 3.38Å; N303-R508 HydrophobicContact CB-CB 4.38Å; N303-R508 PolarHBondContact O-NE 3.47Å; N303-R508 PolarHBondContact O-NH2 2.87Å; Q504-R508 WeakPolarHBondContact O-CB 3.49Å; Q504-R508 WeakPolarHBondContact O-CG 3.33Å; Q504-R508 PolarHBondContact O-N 3.25Å; W505-R508 HydrophobicContact CE3-CG 4.05Å; R508-R510 PolarHBondContact O-N 3.12Å; R508-M511 VanDerWaalsContact O-CB 3.31Å; R508-M511 WeakPolarHBondContact O-CB 3.33Å; R508-M511 PolarHBondContact O-N 2.73Å; R508-V512 WeakPolarHBondContact O-CG2 3.37Å; R508-V512 PolarHBondContact O-N 2.8Å; R508-L552 HydrophobicContact CB-CD2 3.76Å
509	A	98.8	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.4	-34.5	176.7	0	0	0	0	0	111.5	W274 F491 W505 C507 A513	W274-A509 HydrophobicContact CE3-CB 3.97Å; W274-A509 WeakPolarHBondContact CZ3-O 3.25Å; F491-A509 HydrophobicContact CE2-CB 3.72Å; F491-A509 HydrophobicContact CZ-CB 3.69Å; W505-A509 HydrophobicContact CH2-CB 4.37Å; W505-A509 HydrophobicContact CZ2-CB 4.49Å; W505-A509 HydrophobicContact CZ3-CB 4.43Å; W505-A509 VanDerWaalsContact O-CB 3.26Å; W505-A509 WeakPolarHBondContact O-CB 3.36Å; W505-A509 PolarHBondContact O-N 2.87Å; C507-A509 VanDerWaalsContact C-N 3.26Å; C507-A509 PolarHBondContact O-N 3.27Å; A509-A513 PolarHBondContact O-N 3.37Å
510	R	98.8	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-80.6	-32.9	178.7	-82.1	42	175.9	-97.4	-3	111.3	A417 Q419 L450 H452 H506 C507 R508 V512 A513 G514 A515 Y518	A417-R510 HydrophobicContact CB-CB 3.91Å; A417-R510 HydrophobicContact CB-CG 3.75Å; Q419-R510 VanDerWaalsContact OE1-NH1 3.16Å; L450-R510 HydrophobicContact CD2-CG 4.46Å; H452-R510 PolarHBondContact ND1-NE 3.48Å; H452-R510 PolarHBondContact O-NH2 2.78Å; H506-R510 VanDerWaalsContact O-CD 3.31Å; H506-R510 WeakPolarHBondContact O-CD 3.38Å; H506-R510 PolarHBondContact O-NH1 2.8Å; C507-R510 PolarHBondContact O-N 3.41Å; R508-R510 PolarHBondContact O-N 3.12Å; R510-V512 VanDerWaalsContact C-N 3.33Å; R510-A513 CarbonylContact O-C 3.59Å; R510-A513 PolarHBondContact O-N 3.21Å; R510-G514 PolarHBondContact O-N 3Å; R510-A515 HydrophobicContact CB-CB 4.11Å; R510-A515 VanDerWaalsContact O-CB 3.28Å; R510-A515 WeakPolarHBondContact O-CB 3.29Å; R510-A515 PolarHBondContact O-N 3.41Å; R510-Y518 HydrophobicContact CB-CD2 4.22Å; R510-Y518 HydrophobicContact CB-CE2 4.38Å; R510-Y518 HydrophobicContact CG-CE2 4.4Å
511	M	98.6	Very high	98.3	Very high	7 Å²	7	7.7 Å²	7.7	3%	0.034	5%	0.052	C	C	.	.	H	α-helix	trans	-55.2	-50	167.1	-160.6	173.3	65.5	0	0	111	Y232 C507 R508 A513 G514 L552 S554 L555	Y232-M511 HydrophobicContact CD1-CE 3.54Å; Y232-M511 HydrophobicContact CD2-CE 3.99Å; Y232-M511 HydrophobicContact CE1-CE 3.23Å; Y232-M511 HydrophobicContact CE2-CE 3.76Å; Y232-M511 HydrophobicContact CG-CE 3.9Å; C507-M511 PolarHBondContact O-N 2.72Å; R508-M511 VanDerWaalsContact O-CB 3.31Å; R508-M511 WeakPolarHBondContact O-CB 3.33Å; R508-M511 PolarHBondContact O-N 2.73Å; M511-A513 VanDerWaalsContact C-N 3.27Å; M511-A513 PolarHBondContact O-N 3.46Å; M511-G514 PolarHBondContact O-N 3.37Å; M511-L552 HydrophobicContact CE-CD2 4.38Å; M511-L552 HydrophobicContact SD-CD2 4.44Å; M511-S554 WeakPolarHBondContact CG-OG 3.36Å; M511-S554 PolarHBondContact SD-OG 3.37Å; M511-L555 HydrophobicContact CB-CD2 3.45Å; M511-L555 VanDerWaalsContact CB-CD2 3.45Å; M511-L555 HydrophobicContact CB-CG 4.32Å; M511-L555 HydrophobicContact CG-CB 4.36Å; M511-L555 HydrophobicContact CG-CD2 3.67Å; M511-L555 HydrophobicContact CG-CG 4Å; M511-L555 HydrophobicContact SD-CD2 4.12Å; M511-L555 HydrophobicContact SD-CG 3.99Å
512	V	98.4	Very high	98	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-59.2	-38.6	177.1	169.2	0	0	0	0	111.8	Y232 V234 P400 K404 R508 R510 G514	Y232-V512 HydrophobicContact CD1-CG2 3.75Å; V234-V512 HydrophobicContact CG2-CG1 3.82Å; P400-V512 HydrophobicContact CB-CG1 4.33Å; K404-V512 WeakPolarHBondContact CE-O 3.34Å; K404-V512 PolarHBondContact NZ-O 3.15Å; R508-V512 WeakPolarHBondContact O-CG2 3.37Å; R508-V512 PolarHBondContact O-N 2.8Å; R510-V512 VanDerWaalsContact C-N 3.33Å; V512-G514 PolarHBondContact O-N 3.27Å
513	A	98.5	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.5	175.1	0	0	0	0	0	114.5	W274 P400 L403 K404 F407 A509 R510 M511	W274-A513 HydrophobicContact CH2-CB 4.14Å; W274-A513 HydrophobicContact CZ3-CB 3.71Å; P400-A513 HydrophobicContact CB-CB 4.22Å; L403-A513 HydrophobicContact CD1-CB 3.9Å; K404-A513 WeakPolarHBondContact CG-O 3.41Å; F407-A513 VanDerWaalsContact CE2-O 3.32Å; F407-A513 WeakPolarHBondContact CE2-O 3.32Å; A509-A513 PolarHBondContact O-N 3.37Å; R510-A513 CarbonylContact O-C 3.59Å; R510-A513 PolarHBondContact O-N 3.21Å; M511-A513 VanDerWaalsContact C-N 3.27Å; M511-A513 PolarHBondContact O-N 3.46Å
514	G	98	Very high	97.7	Very high	23 Å²	23	14.5 Å²	14.5	24%	0.237	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	15.6	175.3	0	0	0	0	0	115.4	R510 M511 V512	R510-G514 PolarHBondContact O-N 3Å; M511-G514 PolarHBondContact O-N 3.37Å; V512-G514 PolarHBondContact O-N 3.27Å
515	A	98.5	Very high	97.7	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	8%	0.082	C	C	.	.			trans	-69.6	133	171	0	0	0	0	0	111.1	V415 A417 R510	V415-A515 HydrophobicContact CG1-CB 4.36Å; A417-A515 HydrophobicContact CB-CB 3.88Å; R510-A515 HydrophobicContact CB-CB 4.11Å; R510-A515 VanDerWaalsContact O-CB 3.28Å; R510-A515 WeakPolarHBondContact O-CB 3.29Å; R510-A515 PolarHBondContact O-N 3.41Å
516	N	98.2	Very high	97.6	Very high	63 Å²	63	14.9 Å²	14.9	34%	0.337	8%	0.083	S	C	.	.	S	Bend	trans	-93.9	-21.1	174.5	-45.7	109.4	0	0	0	112	V415 L555 E556	V415-N516 PolarHBondContact N-OD1 3.28Å; V415-N516 PolarHBondContact O-N 2.78Å; N516-L555 CarbonylContact O-C 3.56Å; N516-L555 WeakPolarHBondContact O-CA 3.45Å; N516-L555 WeakPolarHBondContact O-CB 3.38Å; N516-E556 PolarHBondContact O-N 3.38Å
517	F	98.8	Very high	97.4	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.026	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.3	-179.8	-58.8	-87.2	0	0	0	110.1	A414 V415 F416 A417 L439 Y444 E556 V558	A414-F517 HydrophobicContact CB-CD2 4.26Å; A414-F517 HydrophobicContact CB-CE2 3.82Å; V415-F517 PolarHBondContact O-N 3.14Å; F416-F517 CarbonylContact C-O 3.53Å; F416-F517 WeakPolarHBondContact CA-O 3.44Å; F416-F517 HydrophobicContact CB-CB 3.75Å; A417-F517 PolarHBondContact N-O 3.4Å; L439-F517 HydrophobicContact CD1-CD2 3.95Å; L439-F517 HydrophobicContact CD1-CE2 4.29Å; L439-F517 HydrophobicContact CD1-CG 4.39Å; L439-F517 HydrophobicContact CD2-CD1 3.88Å; L439-F517 HydrophobicContact CD2-CD2 3.68Å; L439-F517 HydrophobicContact CD2-CE1 3.6Å; L439-F517 HydrophobicContact CD2-CE2 3.39Å; L439-F517 HydrophobicContact CD2-CG 3.93Å; L439-F517 HydrophobicContact CD2-CZ 3.36Å; L439-F517 HydrophobicContact CG-CD2 4.48Å; L439-F517 HydrophobicContact CG-CE2 4.49Å; Y444-F517 HydrophobicContact CE2-CE2 4Å; Y444-F517 AromaticContact CE2-CZ 3.69Å; Y444-F517 HydrophobicContact CE2-CZ 3.69Å; Y444-F517 AromaticContact CZ-CZ 3.86Å; F517-E556 CarbonylContact C-O 3.55Å; F517-E556 WeakPolarHBondContact CA-O 3.49Å; F517-E556 HydrophobicContact CD1-CB 3.8Å; F517-E556 HydrophobicContact CD1-CG 4.39Å; F517-E556 HydrophobicContact CE1-CB 3.93Å; F517-E556 HydrophobicContact CE1-CG 4.46Å; F517-V558 HydrophobicContact CB-CG2 4.02Å; F517-V558 HydrophobicContact CD1-CG2 4.04Å; F517-V558 HydrophobicContact CG-CG2 4.49Å
518	Y	98.8	Very high	97.3	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.5	177.1	-171.7	-93.5	0	0	0	110.8	A417 Q419 V503 H506 C507 R510 V520 L546 E556 V558	A417-Y518 HydrophobicContact CB-CD2 4.2Å; Q419-Y518 HydrophobicContact CB-CE2 4.35Å; Q419-Y518 VanDerWaalsContact CB-OH 3.32Å; Q419-Y518 WeakPolarHBondContact CB-OH 3.39Å; V503-Y518 HydrophobicContact CG2-CE1 4.26Å; H506-Y518 WeakPolarHBondContact CB-OH 3.32Å; C507-Y518 HydrophobicContact CB-CD1 3.98Å; C507-Y518 HydrophobicContact CB-CD2 4.15Å; C507-Y518 HydrophobicContact CB-CE1 3.97Å; C507-Y518 HydrophobicContact CB-CE2 4.15Å; C507-Y518 HydrophobicContact CB-CG 4.06Å; C507-Y518 VanDerWaalsContact SG-CG 3.6Å; R510-Y518 HydrophobicContact CB-CD2 4.22Å; R510-Y518 HydrophobicContact CB-CE2 4.38Å; R510-Y518 HydrophobicContact CG-CE2 4.4Å; Y518-V520 HydrophobicContact CD1-CB 4.42Å; Y518-V520 HydrophobicContact CE1-CB 4.36Å; Y518-L546 HydrophobicContact CD1-CD1 4.15Å; Y518-L546 HydrophobicContact CE1-CD1 4.01Å; Y518-E556 PolarHBondContact N-O 2.89Å; Y518-V558 PolarHBondContact O-N 3.27Å
519	I	98.7	Very high	97.3	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.9	178.1	-61.7	172.5	0	0	0	109.3	F416 A417 F418 L431 M432 T435 F560	F416-I519 HydrophobicContact CD2-CD1 3.85Å; F416-I519 HydrophobicContact CE2-CD1 4.46Å; A417-I519 PolarHBondContact O-N 3.14Å; A417-I519 VanDerWaalsContact O-N 3.09Å; F418-I519 HydrophobicContact CD2-CB 3.84Å; F418-I519 HydrophobicContact CD2-CD1 3.96Å; F418-I519 HydrophobicContact CD2-CG2 3.63Å; F418-I519 HydrophobicContact CE2-CB 4.45Å; F418-I519 HydrophobicContact CE2-CG2 3.77Å; L431-I519 HydrophobicContact CB-CG2 4.2Å; L431-I519 HydrophobicContact CD2-CG2 4.11Å; M432-I519 HydrophobicContact CG-CD1 4.12Å; T435-I519 HydrophobicContact CG2-CD1 4Å; T435-I519 HydrophobicContact CG2-CG1 4.04Å; T435-I519 VanDerWaalsContact OG1-CD1 3.28Å; T435-I519 WeakPolarHBondContact OG1-CD1 3.4Å; T435-I519 WeakPolarHBondContact OG1-CG1 3.42Å; I519-F560 HydrophobicContact CG2-CD2 3.84Å; I519-F560 HydrophobicContact CG2-CE2 3.9Å
520	V	97.5	Very high	97.1	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.024	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	173.6	64.2	0	0	0	0	111.3	V503 Y518 P524 A543 L546 I557 V558 P559 F560	V503-V520 HydrophobicContact CG2-CG2 4.33Å; Y518-V520 HydrophobicContact CD1-CB 4.42Å; Y518-V520 HydrophobicContact CE1-CB 4.36Å; V520-P524 HydrophobicContact CG2-CB 3.95Å; V520-P524 HydrophobicContact CG2-CG 3.7Å; V520-A543 HydrophobicContact CG1-CB 3.94Å; V520-A543 HydrophobicContact CG2-CB 4.3Å; V520-L546 HydrophobicContact CB-CD1 4.06Å; V520-L546 HydrophobicContact CG1-CD1 4.27Å; V520-L546 HydrophobicContact CG2-CD1 3.93Å; V520-I557 HydrophobicContact CG1-CG2 3.52Å; V520-V558 PolarHBondContact N-O 2.79Å; V520-P559 HydrophobicContact CG1-CB 4.14Å; V520-P559 CarbonylContact O-C 3.47Å; V520-P559 WeakPolarHBondContact O-CA 3.31Å; V520-F560 PolarHBondContact O-N 3.11Å
521	G	92.4	Very high	96.9	Very high	20 Å²	20	26.5 Å²	26.5	21%	0.206	16%	0.16	C	C	.	.			trans	-102.3	-157.7	175.9	0	0	0	0	0	113.3
522	R	92	Very high	96.8	Very high	118 Å²	118	30.3 Å²	30.3	45%	0.445	18%	0.184	S	C	.	.	S	Bend	trans	-71.4	139.8	173.7	-178.3	-162.1	-176.1	-92.4	5.2	111.1	D535 P539 V562	R522-D535 IonicContact CZ-OD2 3.22Å; R522-D535 IonicContact NH1-OD2 3.04Å; R522-D535 PolarHBondContact NH1-OD2 3.16Å; R522-D535 IonicContact NH2-OD2 2.6Å; R522-D535 PolarHBondContact NH2-OD2 2.75Å; R522-P539 HydrophobicContact CG-CB 3.44Å; R522-P539 VanDerWaalsContact CG-CB 3.44Å; R522-P539 VanDerWaalsContact CZ-CG 3.4Å; R522-V562 HydrophobicContact CB-CG2 4.03Å; R522-V562 HydrophobicContact CG-CG2 4.11Å
523	D	95.3	Very high	96.6	Very high	25 Å²	25	33 Å²	33	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	48.1	49.2	171.3	-168.5	35.1	0	0	0	113.5	A525 G526 P539	D523-A525 PolarHBondContact O-N 2.88Å; D523-G526 PolarHBondContact O-N 3.43Å; D523-G526 VanDerWaalsContact O-N 3.13Å; D523-G526 WeakPolarHBondContact OD1-CA 3.19Å; D523-P539 HydrophobicContact CB-CB 4.11Å; D523-P539 PolarHBondContact N-O 3.28Å
524	P	96.8	Very high	96.4	Very high	23 Å²	23	40.5 Å²	40.5	15%	0.149	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	137.4	-177.4	32.7	-37.1	0	0	0	109.2	G499 V503 V520 G526	G499-P524 CarbonylContact C-O 3.57Å; G499-P524 WeakPolarHBondContact CA-O 3.32Å; V503-P524 HydrophobicContact CB-CB 4.12Å; V503-P524 HydrophobicContact CB-CG 4.03Å; V503-P524 HydrophobicContact CG1-CG 4.19Å; V503-P524 HydrophobicContact CG2-CB 3.56Å; V503-P524 HydrophobicContact CG2-CG 3.75Å; V520-P524 HydrophobicContact CG2-CB 3.95Å; V520-P524 HydrophobicContact CG2-CG 3.7Å; P524-G526 PolarHBondContact O-N 2.98Å
525	A	97.4	Very high	96.3	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	13	-174.8	0	0	0	0	0	115.9	M495 Y497 G499 E502 D523	M495-A525 HydrophobicContact CE-CB 3.61Å; Y497-A525 CarbonylContact C-O 3.53Å; Y497-A525 VanDerWaalsContact CA-O 3.23Å; Y497-A525 WeakPolarHBondContact CA-O 3.48Å; G499-A525 PolarHBondContact N-O 3.27Å; G499-A525 VanDerWaalsContact N-O 3.08Å; E502-A525 HydrophobicContact CB-CB 4.04Å; E502-A525 HydrophobicContact CG-CB 3.98Å; D523-A525 PolarHBondContact O-N 2.88Å
526	G	96.9	Very high	96.3	Very high	2 Å²	2	44 Å²	44	2%	0.021	26%	0.257	C	S	.	.			trans	-83	165.4	175.8	0	0	0	0	0	114	R421 D523 P524	R421-G526 PolarHBondContact NH1-O 2.84Å; R421-G526 PolarHBondContact NH2-O 3.23Å; D523-G526 PolarHBondContact O-N 3.43Å; D523-G526 VanDerWaalsContact O-N 3.13Å; D523-G526 WeakPolarHBondContact OD1-CA 3.19Å; P524-G526 PolarHBondContact O-N 2.98Å
527	M	96.3	Very high	96.3	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.079	25%	0.247	C	C	.	.			trans	-150.4	163.9	168.2	64.5	176	-76.7	0	0	109.6	P364 K459 Y497 P530 L536	P364-M527 HydrophobicContact CG-CE 4.31Å; P364-M527 HydrophobicContact CG-SD 4.23Å; K459-M527 HydrophobicContact CD-CE 4.36Å; K459-M527 HydrophobicContact CD-SD 4.39Å; Y497-M527 VanDerWaalsContact CB-SD 3.59Å; Y497-M527 HydrophobicContact CD1-CB 4.29Å; Y497-M527 HydrophobicContact CD1-SD 4.18Å; Y497-M527 HydrophobicContact CG-SD 3.87Å; M527-P530 HydrophobicContact CE-CG 4.39Å; M527-L536 WeakPolarHBondContact O-CB 3.46Å; M527-L536 PolarHBondContact O-N 2.92Å
528	P	96.7	Very high	96.2	Very high	65 Å²	65	46.2 Å²	46.2	42%	0.422	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-62.4	141.4	169.2	-22.5	34.5	0	0	0	111.6	P530 K534	P528-P530 WeakPolarHBondContact O-CD 3.34Å; P528-K534 CarbonylContact C-O 3.56Å; P528-K534 WeakPolarHBondContact CA-O 3.4Å
529	H	97.3	Very high	96	Very high	40 Å²	40	47.2 Å²	47.2	19%	0.185	27%	0.272	C	S	.	.			trans	-60.7	121.8	171.4	-173.3	-59.5	0	0	0	109.5	A531 T532 G533 K534 L536	H529-A531 VanDerWaalsContact C-N 3.32Å; H529-A531 PolarHBondContact ND1-N 3.49Å; H529-A531 VanDerWaalsContact ND1-N 3.14Å; H529-A531 PolarHBondContact O-N 3.21Å; H529-T532 WeakPolarHBondContact CB-OG1 3.48Å; H529-T532 PolarHBondContact O-N 3.34Å; H529-T532 VanDerWaalsContact O-N 3.15Å; H529-G533 PolarHBondContact O-N 2.76Å; H529-K534 WeakPolarHBondContact CB-O 3.41Å; H529-K534 PolarHBondContact N-O 2.96Å; H529-L536 HydrophobicContact CB-CD1 3.9Å; H529-L536 WeakPolarHBondContact CD2-CD1 3.48Å
530	P	95.6	Very high	95.9	Very high	50 Å²	50	48.7 Å²	48.7	33%	0.325	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-42.7	-173	-28.3	34	0	0	0	114.5	D362 H363 M527 P528	D362-P530 HydrophobicContact CB-CB 3.65Å; D362-P530 HydrophobicContact CB-CG 4.29Å; H363-P530 HydrophobicContact CB-CG 4.22Å; M527-P530 HydrophobicContact CE-CG 4.39Å; P528-P530 WeakPolarHBondContact O-CD 3.34Å
531	A	94.8	Very high	95.9	Very high	75 Å²	75	52.7 Å²	52.7	62%	0.62	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-26.4	-178.9	0	0	0	0	0	115.8	H529	H529-A531 VanDerWaalsContact C-N 3.32Å; H529-A531 PolarHBondContact ND1-N 3.49Å; H529-A531 VanDerWaalsContact ND1-N 3.14Å; H529-A531 PolarHBondContact O-N 3.21Å
532	T	95.8	Very high	96.2	Very high	88 Å²	88	51.8 Å²	51.8	54%	0.54	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-16.1	-170.3	71.7	0	0	0	0	114	H529 K534	H529-T532 WeakPolarHBondContact CB-OG1 3.48Å; H529-T532 PolarHBondContact O-N 3.34Å; H529-T532 VanDerWaalsContact O-N 3.15Å; T532-K534 PolarHBondContact O-N 3.4Å; T532-K534 VanDerWaalsContact O-N 3.15Å; T532-K534 PolarHBondContact OG1-N 3.22Å
533	G	93.5	Very high	96.4	Very high	56 Å²	56	47 Å²	47	58%	0.577	28%	0.278	S	S	*	.			trans	70.8	-4	-176.5	0	0	0	0	0	115.4	H529	H529-G533 PolarHBondContact O-N 2.76Å
534	K	95.2	Very high	96.5	Very high	159 Å²	159	51.4 Å²	51.4	69%	0.691	30%	0.295	S	S	*	.	S	Bend	trans	-76.8	155.2	173.4	-65.2	-176.7	177.9	179.9	0	110.6	P528 H529 T532 L536	P528-K534 CarbonylContact C-O 3.56Å; P528-K534 WeakPolarHBondContact CA-O 3.4Å; H529-K534 WeakPolarHBondContact CB-O 3.41Å; H529-K534 PolarHBondContact N-O 2.96Å; T532-K534 PolarHBondContact O-N 3.4Å; T532-K534 VanDerWaalsContact O-N 3.15Å; T532-K534 PolarHBondContact OG1-N 3.22Å; K534-L536 PolarHBondContact O-N 2.99Å
535	D	96.3	Very high	96.6	Very high	68 Å²	68	52 Å²	52	36%	0.364	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-53.1	130.1	171.6	-67.4	-16.6	0	0	0	109.9	R522 Y537	R522-D535 IonicContact CZ-OD2 3.22Å; R522-D535 IonicContact NH1-OD2 3.04Å; R522-D535 PolarHBondContact NH1-OD2 3.16Å; R522-D535 IonicContact NH2-OD2 2.6Å; R522-D535 PolarHBondContact NH2-OD2 2.75Å; D535-Y537 PolarHBondContact O-N 2.84Å
536	L	97.9	Very high	96.6	Very high	31 Å²	31	51.8 Å²	51.8	16%	0.162	30%	0.296	C	S	.	.	S	Bend	trans	-66.1	-30.1	-178.1	-171.5	58.7	0	0	0	112	T358 M527 H529 K534	T358-L536 HydrophobicContact CG2-CD1 3.93Å; T358-L536 HydrophobicContact CG2-CD2 4.19Å; M527-L536 WeakPolarHBondContact O-CB 3.46Å; M527-L536 PolarHBondContact O-N 2.92Å; H529-L536 HydrophobicContact CB-CD1 3.9Å; H529-L536 WeakPolarHBondContact CD2-CD1 3.48Å; K534-L536 PolarHBondContact O-N 2.99Å
537	Y	98.3	Very high	96.5	Very high	28 Å²	28	55.9 Å²	55.9	11%	0.11	32%	0.321	C	S	.	.	S	Bend	trans	-121.6	153	-179.2	-54.1	-71.7	0	0	0	110.4	W356 Y497 A498 G499 P500 D535	W356-Y537 VanDerWaalsContact O-CE1 3.24Å; W356-Y537 WeakPolarHBondContact O-CE1 3.36Å; W356-Y537 PolarHBondContact O-OH 3.35Å; Y497-Y537 WeakPolarHBondContact O-CE2 3.49Å; Y497-Y537 PolarHBondContact O-OH 3.31Å; A498-Y537 WeakPolarHBondContact CA-OH 3.36Å; G499-Y537 VanDerWaalsContact CA-CD2 3.49Å; G499-Y537 VanDerWaalsContact CA-CE2 3.47Å; G499-Y537 VanDerWaalsContact N-CE2 3.33Å; P500-Y537 HydrophobicContact CG-CD1 4.4Å; D535-Y537 PolarHBondContact O-N 2.84Å
538	E	97.8	Very high	96.5	Very high	86 Å²	86	61.8 Å²	61.8	40%	0.402	35%	0.35	S	S	.	.			trans	-68.5	129.3	169	-164.7	-71.3	148.2	0	0	108.7	S540 H541	E538-S540 VanDerWaalsContact CD-OG 3.31Å; E538-S540 PolarHBondContact O-N 3.48Å; E538-S540 VanDerWaalsContact O-N 3.07Å; E538-S540 PolarHBondContact OE1-OG 2.83Å; E538-S540 VanDerWaalsContact OE2-CA 3.26Å; E538-S540 WeakPolarHBondContact OE2-CA 3.49Å; E538-S540 VanDerWaalsContact OE2-CB 3.22Å; E538-S540 WeakPolarHBondContact OE2-CB 3.35Å; E538-S540 PolarHBondContact OE2-N 3.32Å; E538-S540 PolarHBondContact OE2-OG 3.02Å; E538-H541 WeakPolarHBondContact O-CB 3.49Å; E538-H541 PolarHBondContact O-N 3.45Å; E538-H541 IonicContact OE2-CD2 3.35Å; E538-H541 PolarHBondContact OE2-CD2 2.97Å; E538-H541 IonicContact OE2-CG 2.68Å; E538-H541 PolarHBondContact OE2-N 2.74Å; E538-H541 VanDerWaalsContact OE2-N 3.14Å; E538-H541 IonicContact OE2-NE2 3.73Å
539	P	94.6	Very high	96.6	Very high	26 Å²	26	59.4 Å²	59.4	17%	0.169	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18	-165.9	-24.9	33.1	0	0	0	116.8	R522 D523	R522-P539 HydrophobicContact CG-CB 3.44Å; R522-P539 VanDerWaalsContact CG-CB 3.44Å; R522-P539 VanDerWaalsContact CZ-CG 3.4Å; D523-P539 HydrophobicContact CB-CB 4.11Å; D523-P539 PolarHBondContact N-O 3.28Å
540	S	95.2	Very high	96.5	Very high	35 Å²	35	60.7 Å²	60.7	25%	0.245	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-16.4	176.9	78	0	0	0	0	113.3	E538 G542 A543 K544	E538-S540 VanDerWaalsContact CD-OG 3.31Å; E538-S540 PolarHBondContact O-N 3.48Å; E538-S540 VanDerWaalsContact O-N 3.07Å; E538-S540 PolarHBondContact OE1-OG 2.83Å; E538-S540 VanDerWaalsContact OE2-CA 3.26Å; E538-S540 WeakPolarHBondContact OE2-CA 3.49Å; E538-S540 VanDerWaalsContact OE2-CB 3.22Å; E538-S540 WeakPolarHBondContact OE2-CB 3.35Å; E538-S540 PolarHBondContact OE2-N 3.32Å; E538-S540 PolarHBondContact OE2-OG 3.02Å; S540-G542 VanDerWaalsContact C-N 3.34Å; S540-G542 PolarHBondContact O-N 2.98Å; S540-A543 PolarHBondContact O-N 3.22Å; S540-K544 WeakPolarHBondContact O-CG 3.17Å; S540-K544 PolarHBondContact O-N 2.79Å; S540-K544 VanDerWaalsContact O-N 3.14Å; S540-K544 VanDerWaalsContact OG-CE 3.32Å; S540-K544 WeakPolarHBondContact OG-CE 3.13Å; S540-K544 PolarHBondContact OG-NZ 3.14Å
541	H	98.3	Very high	96.4	Very high	88 Å²	88	58.8 Å²	58.8	41%	0.407	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-40.5	-173.7	-76.5	-168.9	0	0	0	112.8	P500 E538 A543 K544 V545	P500-H541 HydrophobicContact CB-CB 4.41Å; P500-H541 HydrophobicContact CG-CB 3.57Å; E538-H541 WeakPolarHBondContact O-CB 3.49Å; E538-H541 PolarHBondContact O-N 3.45Å; E538-H541 IonicContact OE2-CD2 3.35Å; E538-H541 PolarHBondContact OE2-CD2 2.97Å; E538-H541 IonicContact OE2-CG 2.68Å; E538-H541 PolarHBondContact OE2-N 2.74Å; E538-H541 VanDerWaalsContact OE2-N 3.14Å; E538-H541 IonicContact OE2-NE2 3.73Å; H541-A543 PolarHBondContact O-N 2.89Å; H541-K544 PolarHBondContact O-N 3.05Å; H541-V545 WeakPolarHBondContact O-CB 3.38Å; H541-V545 VanDerWaalsContact O-CG2 3.28Å; H541-V545 WeakPolarHBondContact O-CG2 3.43Å; H541-V545 PolarHBondContact O-N 3Å
542	G	97.8	Very high	96.5	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-45.6	-178.8	0	0	0	0	0	113.2	S540 L546	S540-G542 VanDerWaalsContact C-N 3.34Å; S540-G542 PolarHBondContact O-N 2.98Å; G542-L546 WeakPolarHBondContact O-CB 3.31Å; G542-L546 WeakPolarHBondContact O-CG 3.48Å; G542-L546 PolarHBondContact O-N 3.21Å; G542-L546 VanDerWaalsContact O-N 3.11Å
543	A	96.6	Very high	96.1	Very high	18 Å²	18	57.8 Å²	57.8	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-44.3	176.8	0	0	0	0	0	112	V520 S540 H541 L546 T547 P559	V520-A543 HydrophobicContact CG1-CB 3.94Å; V520-A543 HydrophobicContact CG2-CB 4.3Å; S540-A543 PolarHBondContact O-N 3.22Å; H541-A543 PolarHBondContact O-N 2.89Å; A543-L546 PolarHBondContact O-N 2.94Å; A543-T547 WeakPolarHBondContact O-CG2 3.28Å; A543-T547 PolarHBondContact O-N 3.24Å; A543-T547 VanDerWaalsContact O-N 3.13Å; A543-T547 PolarHBondContact O-OG1 3.38Å; A543-P559 HydrophobicContact CB-CB 4.34Å
544	K	97.6	Very high	95.8	Very high	117 Å²	117	58.3 Å²	58.3	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-47.1	178.6	-73.4	171.4	176	165.1	0	112	S540 H541 T547 M548	S540-K544 WeakPolarHBondContact O-CG 3.17Å; S540-K544 PolarHBondContact O-N 2.79Å; S540-K544 VanDerWaalsContact O-N 3.14Å; S540-K544 VanDerWaalsContact OG-CE 3.32Å; S540-K544 WeakPolarHBondContact OG-CE 3.13Å; S540-K544 PolarHBondContact OG-NZ 3.14Å; H541-K544 PolarHBondContact O-N 3.05Å; K544-T547 PolarHBondContact O-N 2.88Å; K544-T547 PolarHBondContact O-OG1 3.4Å; K544-M548 WeakPolarHBondContact O-CG 3.49Å
545	V	98.3	Very high	95.7	Very high	35 Å²	35	51.8 Å²	51.8	21%	0.212	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-48.1	178.5	169.6	0	0	0	0	110.3	P500 Q504 H541 T547 M548 A549	P500-V545 HydrophobicContact CB-CB 4.27Å; P500-V545 HydrophobicContact CB-CG2 4.03Å; Q504-V545 HydrophobicContact CG-CG1 4.12Å; H541-V545 WeakPolarHBondContact O-CB 3.38Å; H541-V545 VanDerWaalsContact O-CG2 3.28Å; H541-V545 WeakPolarHBondContact O-CG2 3.43Å; H541-V545 PolarHBondContact O-N 3Å; V545-T547 VanDerWaalsContact C-N 3.31Å; V545-T547 PolarHBondContact O-N 3.36Å; V545-M548 HydrophobicContact CG2-CE 4.11Å; V545-M548 CarbonylContact O-C 3.59Å; V545-M548 WeakPolarHBondContact O-CG 3.44Å; V545-M548 PolarHBondContact O-N 2.89Å; V545-M548 VanDerWaalsContact O-N 3.12Å; V545-A549 WeakPolarHBondContact O-CB 3.16Å; V545-A549 PolarHBondContact O-N 2.98Å
546	L	97.6	Very high	95.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-41.8	177.9	-85.3	175.5	0	0	0	113.7	V503 Q504 C507 Y518 V520 G542 A543 M548 A549 L552 I557	V503-L546 HydrophobicContact CB-CD1 4.37Å; V503-L546 HydrophobicContact CG1-CD1 3.92Å; V503-L546 HydrophobicContact CG1-CD2 4.41Å; V503-L546 HydrophobicContact CG1-CG 3.84Å; V503-L546 HydrophobicContact CG2-CD1 3.65Å; V503-L546 HydrophobicContact CG2-CG 4.44Å; Q504-L546 HydrophobicContact CB-CD2 4.48Å; Q504-L546 HydrophobicContact CG-CD2 4.16Å; C507-L546 HydrophobicContact CB-CD2 3.52Å; Y518-L546 HydrophobicContact CD1-CD1 4.15Å; Y518-L546 HydrophobicContact CE1-CD1 4.01Å; V520-L546 HydrophobicContact CB-CD1 4.06Å; V520-L546 HydrophobicContact CG1-CD1 4.27Å; V520-L546 HydrophobicContact CG2-CD1 3.93Å; G542-L546 WeakPolarHBondContact O-CB 3.31Å; G542-L546 WeakPolarHBondContact O-CG 3.48Å; G542-L546 PolarHBondContact O-N 3.21Å; G542-L546 VanDerWaalsContact O-N 3.11Å; A543-L546 PolarHBondContact O-N 2.94Å; L546-M548 PolarHBondContact O-N 3.28Å; L546-A549 PolarHBondContact O-N 2.91Å; L546-L552 HydrophobicContact CD2-CD1 3.71Å; L546-I557 HydrophobicContact CB-CD1 4.07Å; L546-I557 HydrophobicContact CB-CG1 4.21Å; L546-I557 HydrophobicContact CB-CG2 4.28Å; L546-I557 HydrophobicContact CD1-CD1 4.45Å; L546-I557 HydrophobicContact CD2-CD1 4.34Å
547	T	95.7	Very high	95.8	Very high	88 Å²	88	51.9 Å²	51.9	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-15.7	-178	51.8	0	0	0	0	114.2	A543 K544 V545 I557	A543-T547 WeakPolarHBondContact O-CG2 3.28Å; A543-T547 PolarHBondContact O-N 3.24Å; A543-T547 VanDerWaalsContact O-N 3.13Å; A543-T547 PolarHBondContact O-OG1 3.38Å; K544-T547 PolarHBondContact O-N 2.88Å; K544-T547 PolarHBondContact O-OG1 3.4Å; V545-T547 VanDerWaalsContact C-N 3.31Å; V545-T547 PolarHBondContact O-N 3.36Å; T547-I557 HydrophobicContact CG2-CB 4.05Å; T547-I557 HydrophobicContact CG2-CG1 4.47Å; T547-I557 HydrophobicContact CG2-CG2 3.96Å
548	M	96.6	Very high	95.7	Very high	140 Å²	140	51.1 Å²	51.1	69%	0.69	29%	0.286	S	S	*	.	H	α-helix	trans	-121.8	4.9	179.6	66.5	-172	177.3	0	0	113.1	K544 V545 L546	K544-M548 WeakPolarHBondContact O-CG 3.49Å; V545-M548 HydrophobicContact CG2-CE 4.11Å; V545-M548 CarbonylContact O-C 3.59Å; V545-M548 WeakPolarHBondContact O-CG 3.44Å; V545-M548 PolarHBondContact O-N 2.89Å; V545-M548 VanDerWaalsContact O-N 3.12Å; L546-M548 PolarHBondContact O-N 3.28Å
549	A	97.4	Very high	95.6	Very high	15 Å²	15	50.1 Å²	50.1	12%	0.124	29%	0.287	C	S	.	.			trans	-71.2	127.8	-176.1	0	0	0	0	0	110.4	Q504 V545 L546 L552	Q504-A549 HydrophobicContact CG-CB 4.19Å; V545-A549 WeakPolarHBondContact O-CB 3.16Å; V545-A549 PolarHBondContact O-N 2.98Å; L546-A549 PolarHBondContact O-N 2.91Å; A549-L552 HydrophobicContact CB-CD1 3.88Å; A549-L552 HydrophobicContact CB-CG 4.36Å
550	P	96.3	Very high	95.5	Very high	66 Å²	66	49.8 Å²	49.8	43%	0.429	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	151.9	177	25.3	-32.6	0	0	0	111.7	C295 V301 N303 L552	C295-P550 VanDerWaalsContact SG-CG 3.55Å; V301-P550 HydrophobicContact CG1-CB 3.91Å; N303-P550 VanDerWaalsContact CB-O 3.28Å; N303-P550 WeakPolarHBondContact CB-O 3.24Å; N303-P550 PolarHBondContact ND2-O 2.78Å; P550-L552 VanDerWaalsContact C-N 3.33Å; P550-L552 PolarHBondContact O-N 3.31Å
551	G	94.1	Very high	95.2	Very high	10 Å²	10	55.7 Å²	55.7	10%	0.103	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-12.1	176.2	0	0	0	0	0	115.8	Y232 V553	Y232-G551 WeakPolarHBondContact CE2-O 3.5Å; Y232-G551 VanDerWaalsContact CZ-O 3.31Å; Y232-G551 PolarHBondContact OH-O 3.3Å; G551-V553 PolarHBondContact O-N 3.27Å
552	L	95.3	Very high	94.7	Very high	22 Å²	22	53.6 Å²	53.6	12%	0.115	30%	0.297	C	S	.	.			trans	-82.1	61.2	177.6	-58.4	-176.1	0	0	0	112.4	N303 R508 M511 L546 A549 P550	N303-L552 HydrophobicContact CB-CD2 3.87Å; N303-L552 HydrophobicContact CB-CG 4.37Å; R508-L552 HydrophobicContact CB-CD2 3.76Å; M511-L552 HydrophobicContact CE-CD2 4.38Å; M511-L552 HydrophobicContact SD-CD2 4.44Å; L546-L552 HydrophobicContact CD2-CD1 3.71Å; A549-L552 HydrophobicContact CB-CD1 3.88Å; A549-L552 HydrophobicContact CB-CG 4.36Å; P550-L552 VanDerWaalsContact C-N 3.33Å; P550-L552 PolarHBondContact O-N 3.31Å
553	V	87.6	Confident	94.5	Very high	120 Å²	120	54.5 Å²	54.5	73%	0.727	30%	0.304	S	S	*	.			trans	-85.3	-21.6	-165	-62.6	0	0	0	0	115.9	G551	G551-V553 PolarHBondContact O-N 3.27Å
554	S	87.3	Confident	94.4	Very high	68 Å²	68	53.8 Å²	53.8	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-113.2	14	-170	57.2	0	0	0	0	114.2	M511	M511-S554 WeakPolarHBondContact CG-OG 3.36Å; M511-S554 PolarHBondContact SD-OG 3.37Å
555	L	94	Very high	94.3	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.11	28%	0.278	C	S	.	.			trans	-139	158.8	172.6	66.2	75.3	0	0	0	112.6	M511 N516 I557	M511-L555 HydrophobicContact CB-CD2 3.45Å; M511-L555 VanDerWaalsContact CB-CD2 3.45Å; M511-L555 HydrophobicContact CB-CG 4.32Å; M511-L555 HydrophobicContact CG-CB 4.36Å; M511-L555 HydrophobicContact CG-CD2 3.67Å; M511-L555 HydrophobicContact CG-CG 4Å; M511-L555 HydrophobicContact SD-CD2 4.12Å; M511-L555 HydrophobicContact SD-CG 3.99Å; N516-L555 CarbonylContact O-C 3.56Å; N516-L555 WeakPolarHBondContact O-CA 3.45Å; N516-L555 WeakPolarHBondContact O-CB 3.38Å; L555-I557 HydrophobicContact CD1-CD1 3.47Å; L555-I557 VanDerWaalsContact CD1-CD1 3.47Å; L555-I557 HydrophobicContact CD1-CG1 4.33Å
556	E	97.9	Very high	94.2	Very high	77 Å²	77	48 Å²	48	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135	170.9	-178.1	-177.8	149	0	0	110.4	R442 N516 F517 Y518	R442-E556 IonicContact CZ-OE1 3.23Å; R442-E556 IonicContact CZ-OE2 2.74Å; R442-E556 IonicContact NH1-OE1 2.94Å; R442-E556 PolarHBondContact NH1-OE1 3Å; R442-E556 IonicContact NH1-OE2 3.65Å; R442-E556 PolarHBondContact NH1-OE2 3.42Å; R442-E556 IonicContact NH2-OE1 2.72Å; R442-E556 PolarHBondContact NH2-OE1 3.07Å; R442-E556 IonicContact NH2-OE2 3.52Å; N516-E556 PolarHBondContact O-N 3.38Å; F517-E556 CarbonylContact C-O 3.55Å; F517-E556 WeakPolarHBondContact CA-O 3.49Å; F517-E556 HydrophobicContact CD1-CB 3.8Å; F517-E556 HydrophobicContact CD1-CG 4.39Å; F517-E556 HydrophobicContact CE1-CB 3.93Å; F517-E556 HydrophobicContact CE1-CG 4.46Å; Y518-E556 PolarHBondContact N-O 2.89Å
557	I	98.1	Very high	94.2	Very high	24 Å²	24	53.5 Å²	53.5	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.7	173.6	-53.3	-60.1	0	0	0	109.2	V520 L546 T547 L555 P559	V520-I557 HydrophobicContact CG1-CG2 3.52Å; L546-I557 HydrophobicContact CB-CD1 4.07Å; L546-I557 HydrophobicContact CB-CG1 4.21Å; L546-I557 HydrophobicContact CB-CG2 4.28Å; L546-I557 HydrophobicContact CD1-CD1 4.45Å; L546-I557 HydrophobicContact CD2-CD1 4.34Å; T547-I557 HydrophobicContact CG2-CB 4.05Å; T547-I557 HydrophobicContact CG2-CG1 4.47Å; T547-I557 HydrophobicContact CG2-CG2 3.96Å; L555-I557 HydrophobicContact CD1-CD1 3.47Å; L555-I557 VanDerWaalsContact CD1-CD1 3.47Å; L555-I557 HydrophobicContact CD1-CG1 4.33Å; I557-P559 WeakPolarHBondContact O-CD 3.43Å
558	V	96.9	Very high	94.1	Very high	12 Å²	12	54.5 Å²	54.5	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	88.2	176.9	-168.4	0	0	0	0	108.9	T435 F517 Y518 V520 F560	T435-V558 HydrophobicContact CG2-CG1 4.4Å; T435-V558 HydrophobicContact CG2-CG2 4.45Å; F517-V558 HydrophobicContact CB-CG2 4.02Å; F517-V558 HydrophobicContact CD1-CG2 4.04Å; F517-V558 HydrophobicContact CG-CG2 4.49Å; Y518-V558 PolarHBondContact O-N 3.27Å; V520-V558 PolarHBondContact N-O 2.79Å; V558-F560 HydrophobicContact CB-CE2 4.32Å; V558-F560 HydrophobicContact CG1-CD2 4.28Å; V558-F560 HydrophobicContact CG1-CE2 3.49Å; V558-F560 VanDerWaalsContact CG1-CE2 3.49Å; V558-F560 HydrophobicContact CG1-CZ 3.97Å; V558-F560 WeakPolarHBondContact O-CD2 3.27Å
559	P	94.4	Very high	94	Very high	65 Å²	65	54.1 Å²	54.1	42%	0.422	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	143.1	-177.9	32.4	-35.6	0	0	0	111.6	V520 A543 I557	V520-P559 HydrophobicContact CG1-CB 4.14Å; V520-P559 CarbonylContact O-C 3.47Å; V520-P559 WeakPolarHBondContact O-CA 3.31Å; A543-P559 HydrophobicContact CB-CB 4.34Å; I557-P559 WeakPolarHBondContact O-CD 3.43Å
560	F	92.5	Very high	93.9	Very high	19 Å²	19	55 Å²	55	8%	0.083	31%	0.305	C	S	.	.			trans	-125.7	149.4	175.5	-75.1	-89.3	0	0	0	112.7	L431 D434 T435 I519 V520 V558 F574	L431-F560 HydrophobicContact CB-CD2 4.24Å; L431-F560 HydrophobicContact CB-CE2 4.32Å; L431-F560 HydrophobicContact CB-CG 4.37Å; L431-F560 HydrophobicContact CD1-CB 4.22Å; L431-F560 HydrophobicContact CD1-CD1 4.42Å; L431-F560 HydrophobicContact CD1-CG 4.34Å; L431-F560 HydrophobicContact CD2-CB 3.62Å; L431-F560 HydrophobicContact CD2-CD2 3.95Å; L431-F560 HydrophobicContact CD2-CG 3.88Å; L431-F560 HydrophobicContact CG-CB 3.66Å; L431-F560 HydrophobicContact CG-CD1 3.87Å; L431-F560 HydrophobicContact CG-CD2 3.75Å; L431-F560 HydrophobicContact CG-CE1 4.38Å; L431-F560 HydrophobicContact CG-CE2 4.29Å; L431-F560 HydrophobicContact CG-CG 3.5Å; L431-F560 WeakPolarHBondContact O-CZ 3.31Å; D434-F560 HydrophobicContact CB-CE1 4.01Å; D434-F560 HydrophobicContact CB-CZ 4.29Å; D434-F560 WeakPolarHBondContact OD2-CE1 3.39Å; T435-F560 VanDerWaalsContact OG1-CE2 3.23Å; T435-F560 WeakPolarHBondContact OG1-CE2 3.42Å; T435-F560 VanDerWaalsContact OG1-CZ 3.24Å; T435-F560 WeakPolarHBondContact OG1-CZ 3.37Å; I519-F560 HydrophobicContact CG2-CD2 3.84Å; I519-F560 HydrophobicContact CG2-CE2 3.9Å; V520-F560 PolarHBondContact O-N 3.11Å; V558-F560 HydrophobicContact CB-CE2 4.32Å; V558-F560 HydrophobicContact CG1-CD2 4.28Å; V558-F560 HydrophobicContact CG1-CE2 3.49Å; V558-F560 VanDerWaalsContact CG1-CE2 3.49Å; V558-F560 HydrophobicContact CG1-CZ 3.97Å; V558-F560 WeakPolarHBondContact O-CD2 3.27Å; F560-F574 AromaticContact CD1-CE1 3.48Å; F560-F574 HydrophobicContact CD1-CE1 3.48Å; F560-F574 VanDerWaalsContact CD1-CE1 3.48Å; F560-F574 AromaticContact CD1-CZ 3.59Å; F560-F574 HydrophobicContact CD1-CZ 3.59Å; F560-F574 HydrophobicContact CE1-CE1 4.09Å; F560-F574 AromaticContact CE1-CZ 3.71Å; F560-F574 HydrophobicContact CE1-CZ 3.71Å; F560-F574 HydrophobicContact CG-CE1 4.42Å
561	K	88.4	Confident	93.9	Very high	160 Å²	160	53.9 Å²	53.9	70%	0.696	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-71	169.7	166.1	-63.9	179.9	-176.6	174.1	0	109.9	A563	K561-A563 PolarHBondContact O-N 3.19Å
562	V	89.5	Confident	94	Very high	44 Å²	44	54.3 Å²	54.3	27%	0.267	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-59.4	132.3	173.8	-166.5	0	0	0	0	109.8	R522 Y575 F585	R522-V562 HydrophobicContact CB-CG2 4.03Å; R522-V562 HydrophobicContact CG-CG2 4.11Å; V562-Y575 WeakPolarHBondContact O-CB 3.32Å; V562-Y575 PolarHBondContact O-N 3.4Å; V562-F585 HydrophobicContact CG1-CE1 3.95Å
563	A	92.9	Very high	94.1	Very high	20 Å²	20	54.6 Å²	54.6	17%	0.165	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.9	167.4	0	0	0	0	0	109.4	L430 L431 K561 M572 D573	L430-A563 HydrophobicContact CD2-CB 4.22Å; L431-A563 HydrophobicContact CD1-CB 3.96Å; K561-A563 PolarHBondContact O-N 3.19Å; A563-M572 HydrophobicContact CB-CE 4.46Å; A563-D573 CarbonylContact C-O 3.56Å; A563-D573 VanDerWaalsContact CA-O 3.29Å; A563-D573 WeakPolarHBondContact CA-O 3.2Å
564	A	93.8	Very high	94.4	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.1	-180	0	0	0	0	0	110.4	N566 M572 D573 Y583 F585	A564-N566 PolarHBondContact O-N 3.02Å; A564-M572 VanDerWaalsContact C-CE 3.45Å; A564-D573 PolarHBondContact N-O 2.65Å; A564-D573 PolarHBondContact O-N 2.87Å; A564-Y583 HydrophobicContact CB-CD1 3.89Å; A564-Y583 HydrophobicContact CB-CG 4.45Å; A564-F585 HydrophobicContact CB-CD1 3.88Å; A564-F585 HydrophobicContact CB-CE1 3.64Å; A564-F585 HydrophobicContact CB-CE2 4.46Å; A564-F585 HydrophobicContact CB-CG 4.4Å; A564-F585 HydrophobicContact CB-CZ 3.97Å
565	Y	95.9	Very high	94.6	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.094	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.6	-179.2	-177.4	-100.5	0	0	0	109.7	K567 G570 M572 Y583 D584 P602 D603 F605	Y565-K567 HydrophobicContact CD1-CG 4.21Å; Y565-K567 HydrophobicContact CE1-CG 4.31Å; Y565-G570 WeakPolarHBondContact OH-CA 3.39Å; Y565-M572 HydrophobicContact CD2-SD 4.17Å; Y565-Y583 CarbonylContact O-C 3.54Å; Y565-Y583 WeakPolarHBondContact O-CA 3.35Å; Y565-D584 HydrophobicContact CD1-CB 4.31Å; Y565-D584 PolarHBondContact N-O 3.18Å; Y565-D584 VanDerWaalsContact N-O 3.17Å; Y565-D584 PolarHBondContact O-N 3.12Å; Y565-P602 HydrophobicContact CD1-CB 3.98Å; Y565-P602 HydrophobicContact CD1-CG 4.19Å; Y565-P602 HydrophobicContact CD2-CB 4.36Å; Y565-P602 HydrophobicContact CE1-CB 3.43Å; Y565-P602 VanDerWaalsContact CE1-CB 3.43Å; Y565-P602 HydrophobicContact CE1-CG 4.03Å; Y565-P602 HydrophobicContact CE2-CB 3.87Å; Y565-P602 HydrophobicContact CG-CB 4.4Å; Y565-D603 WeakPolarHBondContact CE2-O 3.46Å; Y565-D603 PolarHBondContact OH-O 3.14Å; Y565-D603 VanDerWaalsContact OH-O 3.04Å; Y565-F605 HydrophobicContact CD2-CB 4.34Å
566	N	96.9	Very high	94.5	Very high	8 Å²	8	54 Å²	54	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.9	176.4	-175.8	-40.2	0	0	0	109.3	A564 V568 K569 G570 A571 D573 Y583	A564-N566 PolarHBondContact O-N 3.02Å; N566-V568 VanDerWaalsContact C-N 3.26Å; N566-V568 PolarHBondContact O-N 3.27Å; N566-V568 WeakPolarHBondContact OD1-CB 3.49Å; N566-V568 PolarHBondContact OD1-N 3.42Å; N566-K569 HydrophobicContact CB-CB 4.13Å; N566-K569 HydrophobicContact CB-CD 4.44Å; N566-K569 HydrophobicContact CB-CG 4.4Å; N566-K569 PolarHBondContact O-N 3.43Å; N566-K569 PolarHBondContact OD1-N 2.99Å; N566-G570 PolarHBondContact O-N 3.28Å; N566-A571 PolarHBondContact N-O 3.24Å; N566-A571 PolarHBondContact O-N 3.06Å; N566-D573 HydrophobicContact CB-CB 3.86Å; N566-D573 PolarHBondContact ND2-OD2 3.27Å; N566-Y583 HydrophobicContact CB-CD1 4.16Å; N566-Y583 HydrophobicContact CB-CE1 3.91Å
567	K	95.9	Very high	94.2	Very high	118 Å²	118	55 Å²	55	51%	0.513	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	-176.9	-64.9	176.5	-67.6	-175.5	0	113	Y565 Q581 D582 D584	Y565-K567 HydrophobicContact CD1-CG 4.21Å; Y565-K567 HydrophobicContact CE1-CG 4.31Å; K567-Q581 WeakPolarHBondContact CE-O 3.49Å; K567-Q581 PolarHBondContact NZ-O 2.73Å; K567-D582 WeakPolarHBondContact CB-O 3.4Å; K567-D582 WeakPolarHBondContact CE-O 3.49Å; K567-D582 PolarHBondContact N-O 3.4Å; K567-D584 HydrophobicContact CD-CB 4.32Å; K567-D584 HydrophobicContact CG-CB 4.24Å
568	V	95.3	Very high	94.1	Very high	108 Å²	108	63.1 Å²	63.1	66%	0.655	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-39.8	178.6	-178	0	0	0	0	110.4	N566 D582	N566-V568 VanDerWaalsContact C-N 3.26Å; N566-V568 PolarHBondContact O-N 3.27Å; N566-V568 WeakPolarHBondContact OD1-CB 3.49Å; N566-V568 PolarHBondContact OD1-N 3.42Å; V568-D582 HydrophobicContact CG2-CB 4.01Å
569	K	94.8	Very high	93.9	Very high	132 Å²	132	65.3 Å²	65.3	57%	0.574	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.5	179.4	-64.4	-177.2	179.6	177.8	0	113.7	N566 A571 D573	N566-K569 HydrophobicContact CB-CB 4.13Å; N566-K569 HydrophobicContact CB-CD 4.44Å; N566-K569 HydrophobicContact CB-CG 4.4Å; N566-K569 PolarHBondContact O-N 3.43Å; N566-K569 PolarHBondContact OD1-N 2.99Å; K569-A571 VanDerWaalsContact C-N 3.27Å; K569-A571 PolarHBondContact O-N 2.83Å; K569-D573 HydrophobicContact CD-CB 4.45Å; K569-D573 WeakPolarHBondContact CD-OD2 3.43Å; K569-D573 VanDerWaalsContact CE-OD2 3.31Å; K569-D573 WeakPolarHBondContact CE-OD2 3.35Å; K569-D573 IonicContact NZ-OD1 3.69Å; K569-D573 IonicContact NZ-OD2 3.82Å; K569-D573 PolarHBondContact NZ-OD2 3.07Å
570	G	95.1	Very high	93.9	Very high	35 Å²	35	67.1 Å²	67.1	36%	0.361	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	30	-174.5	0	0	0	0	0	113.2	Y565 N566	Y565-G570 WeakPolarHBondContact OH-CA 3.39Å; N566-G570 PolarHBondContact O-N 3.28Å
571	A	96	Very high	94	Very high	41 Å²	41	72.1 Å²	72.1	34%	0.339	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.2	-173.2	0	0	0	0	0	112	N566 K569	N566-A571 PolarHBondContact N-O 3.24Å; N566-A571 PolarHBondContact O-N 3.06Å; K569-A571 VanDerWaalsContact C-N 3.27Å; K569-A571 PolarHBondContact O-N 2.83Å
572	M	96.1	Very high	94.4	Very high	20 Å²	20	66.5 Å²	66.5	10%	0.099	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.2	169.9	-65.3	-61.5	-61.7	0	0	110.8	N426 A563 A564 Y565 F605	N426-M572 HydrophobicContact CB-CB 4.22Å; N426-M572 HydrophobicContact CB-CG 3.63Å; A563-M572 HydrophobicContact CB-CE 4.46Å; A564-M572 VanDerWaalsContact C-CE 3.45Å; Y565-M572 HydrophobicContact CD2-SD 4.17Å; M572-F605 HydrophobicContact SD-CD2 3.68Å; M572-F605 HydrophobicContact SD-CE2 4.25Å
573	D	96	Very high	94.7	Very high	27 Å²	27	65 Å²	65	14%	0.144	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162	-175.9	-168.3	22	0	0	0	111.3	A563 A564 N566 K569 Y575 Y583	A563-D573 CarbonylContact C-O 3.56Å; A563-D573 VanDerWaalsContact CA-O 3.29Å; A563-D573 WeakPolarHBondContact CA-O 3.2Å; A564-D573 PolarHBondContact N-O 2.65Å; A564-D573 PolarHBondContact O-N 2.87Å; N566-D573 HydrophobicContact CB-CB 3.86Å; N566-D573 PolarHBondContact ND2-OD2 3.27Å; K569-D573 HydrophobicContact CD-CB 4.45Å; K569-D573 WeakPolarHBondContact CD-OD2 3.43Å; K569-D573 VanDerWaalsContact CE-OD2 3.31Å; K569-D573 WeakPolarHBondContact CE-OD2 3.35Å; K569-D573 IonicContact NZ-OD1 3.69Å; K569-D573 IonicContact NZ-OD2 3.82Å; K569-D573 PolarHBondContact NZ-OD2 3.07Å; D573-Y575 PolarHBondContact O-N 3.35Å; D573-Y583 HydrophobicContact CB-CE1 4.19Å; D573-Y583 PolarHBondContact OD2-OH 2.89Å
574	F	94.1	Very high	94.7	Very high	48 Å²	48	65.7 Å²	65.7	21%	0.211	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.4	176.6	-64.8	-63.1	0	0	0	110.8	L430 L431 D434 F560 E576 Y583	L430-F574 HydrophobicContact CD1-CE2 4.41Å; L430-F574 HydrophobicContact CD1-CZ 4.49Å; L430-F574 HydrophobicContact CD2-CD1 4.26Å; L430-F574 HydrophobicContact CD2-CD2 4.3Å; L430-F574 HydrophobicContact CD2-CE1 4.06Å; L430-F574 HydrophobicContact CD2-CE2 4.13Å; L430-F574 HydrophobicContact CD2-CG 4.36Å; L430-F574 HydrophobicContact CD2-CZ 4Å; L430-F574 HydrophobicContact CG-CE1 4.27Å; L430-F574 HydrophobicContact CG-CE2 4.19Å; L430-F574 HydrophobicContact CG-CZ 3.87Å; L431-F574 HydrophobicContact CD1-CE1 3.86Å; D434-F574 HydrophobicContact CB-CZ 4.32Å; F560-F574 AromaticContact CD1-CE1 3.48Å; F560-F574 HydrophobicContact CD1-CE1 3.48Å; F560-F574 VanDerWaalsContact CD1-CE1 3.48Å; F560-F574 AromaticContact CD1-CZ 3.59Å; F560-F574 HydrophobicContact CD1-CZ 3.59Å; F560-F574 HydrophobicContact CE1-CE1 4.09Å; F560-F574 AromaticContact CE1-CZ 3.71Å; F560-F574 HydrophobicContact CE1-CZ 3.71Å; F560-F574 HydrophobicContact CG-CE1 4.42Å; F574-E576 PolarHBondContact O-N 2.99Å; F574-Y583 PolarHBondContact O-OH 3.41Å
575	Y	92.8	Very high	94.6	Very high	54 Å²	54	69.9 Å²	69.9	21%	0.212	35%	0.352	C	S	.	.			trans	-61	132	-176.4	173.4	-108.5	0	0	0	112.9	V562 D573 P577 H580 Y583 F585	V562-Y575 WeakPolarHBondContact O-CB 3.32Å; V562-Y575 PolarHBondContact O-N 3.4Å; D573-Y575 PolarHBondContact O-N 3.35Å; Y575-P577 HydrophobicContact CD1-CG 4.44Å; Y575-P577 HydrophobicContact CE1-CB 4.32Å; Y575-P577 HydrophobicContact CE1-CG 3.88Å; Y575-H580 HydrophobicContact CE2-CB 4.48Å; Y575-H580 AromaticContact CE2-ND1 3.62Å; Y575-H580 AromaticContact CZ-ND1 3.68Å; Y575-H580 PolarHBondContact OH-ND1 3.11Å; Y575-Y583 HydrophobicContact CD2-CD1 4.32Å; Y575-Y583 AromaticContact CD2-CD2 3.73Å; Y575-Y583 HydrophobicContact CD2-CD2 3.73Å; Y575-Y583 HydrophobicContact CD2-CE2 4.23Å; Y575-Y583 AromaticContact CD2-CG 3.8Å; Y575-Y583 HydrophobicContact CD2-CG 3.8Å; Y575-Y583 HydrophobicContact CE2-CD2 4.1Å; Y575-Y583 HydrophobicContact CE2-CG 4.4Å; Y575-F585 HydrophobicContact CD2-CE2 4.07Å; Y575-F585 AromaticContact CD2-CZ 3.49Å; Y575-F585 HydrophobicContact CD2-CZ 3.49Å; Y575-F585 VanDerWaalsContact CD2-CZ 3.49Å; Y575-F585 AromaticContact CE2-CE2 3.96Å; Y575-F585 HydrophobicContact CE2-CE2 3.96Å; Y575-F585 AromaticContact CE2-CZ 3.7Å; Y575-F585 HydrophobicContact CE2-CZ 3.7Å; Y575-F585 AromaticContact CG-CZ 3.98Å; Y575-F585 HydrophobicContact CG-CZ 3.98Å
576	E	92.2	Very high	94.3	Very high	96 Å²	96	69.8 Å²	69.8	45%	0.449	35%	0.353	S	S	.	.			trans	-118.8	116.1	175.5	-68.3	-174.2	168.4	0	0	110.8	F574 K578 N579 Y583	F574-E576 PolarHBondContact O-N 2.99Å; E576-K578 PolarHBondContact O-N 3.34Å; E576-K578 VanDerWaalsContact O-N 3.12Å; E576-N579 HydrophobicContact CB-CB 4.42Å; E576-N579 CarbonylContact O-C 3.59Å; E576-N579 PolarHBondContact O-N 3.22Å; E576-N579 PolarHBondContact OE2-ND2 2.9Å; E576-Y583 HydrophobicContact CB-CE2 4.23Å
577	P	91.6	Very high	93.7	Very high	98 Å²	98	72.4 Å²	72.4	64%	0.636	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-57.7	-31.2	-176.8	-26.9	33.5	0	0	0	114.9	Y575 N579	Y575-P577 HydrophobicContact CD1-CG 4.44Å; Y575-P577 HydrophobicContact CE1-CB 4.32Å; Y575-P577 HydrophobicContact CE1-CG 3.88Å; P577-N579 PolarHBondContact O-N 3.12Å
578	K	94.3	Very high	93	Very high	194 Å²	194	68.7 Å²	68.7	84%	0.843	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.7	179.3	-65.4	-177.5	179.6	-180	0	112.9	E576	E576-K578 PolarHBondContact O-N 3.34Å; E576-K578 VanDerWaalsContact O-N 3.12Å
579	N	93.8	Very high	92.5	Very high	58 Å²	58	68.4 Å²	68.4	31%	0.31	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-115.6	32.3	-175.4	-63.3	-29.6	0	0	0	110.6	E576 P577 Q581 D582 Y583	E576-N579 HydrophobicContact CB-CB 4.42Å; E576-N579 CarbonylContact O-C 3.59Å; E576-N579 PolarHBondContact O-N 3.22Å; E576-N579 PolarHBondContact OE2-ND2 2.9Å; P577-N579 PolarHBondContact O-N 3.12Å; N579-Q581 PolarHBondContact O-N 3.45Å; N579-Q581 VanDerWaalsContact O-N 3.13Å; N579-D582 WeakPolarHBondContact O-CB 3.48Å; N579-D582 PolarHBondContact O-N 2.92Å; N579-Y583 HydrophobicContact CB-CE2 4.16Å; N579-Y583 VanDerWaalsContact O-CD2 3.24Å; N579-Y583 WeakPolarHBondContact O-CD2 3.34Å
580	H	93.7	Very high	92.2	Very high	102 Å²	102	65.9 Å²	65.9	47%	0.472	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-51.5	-41.6	-172.3	178.5	75.7	0	0	0	113.2	Y575 D582 Y583	Y575-H580 HydrophobicContact CE2-CB 4.48Å; Y575-H580 AromaticContact CE2-ND1 3.62Å; Y575-H580 AromaticContact CZ-ND1 3.68Å; Y575-H580 PolarHBondContact OH-ND1 3.11Å; H580-D582 PolarHBondContact O-N 2.76Å; H580-D582 VanDerWaalsContact O-N 3.1Å; H580-Y583 PolarHBondContact O-N 3.47Å; H580-Y583 VanDerWaalsContact O-N 3.14Å
581	Q	95.2	Very high	91.9	Very high	125 Å²	125	65 Å²	65	58%	0.584	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61	-19.3	-179.8	65.6	-84	-0.2	0	0	114.4	K567 N579 Y583	K567-Q581 WeakPolarHBondContact CE-O 3.49Å; K567-Q581 PolarHBondContact NZ-O 2.73Å; N579-Q581 PolarHBondContact O-N 3.45Å; N579-Q581 VanDerWaalsContact O-N 3.13Å; Q581-Y583 VanDerWaalsContact C-N 3.35Å
582	D	95.9	Very high	91.4	Very high	42 Å²	42	65.3 Å²	65.3	23%	0.225	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-82.5	-15.8	-178.7	-61.6	-18.6	0	0	0	112.2	K567 V568 N579 H580	K567-D582 WeakPolarHBondContact CB-O 3.4Å; K567-D582 WeakPolarHBondContact CE-O 3.49Å; K567-D582 PolarHBondContact N-O 3.4Å; V568-D582 HydrophobicContact CG2-CB 4.01Å; N579-D582 WeakPolarHBondContact O-CB 3.48Å; N579-D582 PolarHBondContact O-N 2.92Å; H580-D582 PolarHBondContact O-N 2.76Å; H580-D582 VanDerWaalsContact O-N 3.1Å
583	Y	95.6	Very high	91.1	Very high	12 Å²	12	70.1 Å²	70.1	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.8	-175	-65.2	-87.9	0	0	0	112.5	A564 Y565 N566 D573 F574 Y575 E576 N579 H580 Q581	A564-Y583 HydrophobicContact CB-CD1 3.89Å; A564-Y583 HydrophobicContact CB-CG 4.45Å; Y565-Y583 CarbonylContact O-C 3.54Å; Y565-Y583 WeakPolarHBondContact O-CA 3.35Å; N566-Y583 HydrophobicContact CB-CD1 4.16Å; N566-Y583 HydrophobicContact CB-CE1 3.91Å; D573-Y583 HydrophobicContact CB-CE1 4.19Å; D573-Y583 PolarHBondContact OD2-OH 2.89Å; F574-Y583 PolarHBondContact O-OH 3.41Å; Y575-Y583 HydrophobicContact CD2-CD1 4.32Å; Y575-Y583 AromaticContact CD2-CD2 3.73Å; Y575-Y583 HydrophobicContact CD2-CD2 3.73Å; Y575-Y583 HydrophobicContact CD2-CE2 4.23Å; Y575-Y583 AromaticContact CD2-CG 3.8Å; Y575-Y583 HydrophobicContact CD2-CG 3.8Å; Y575-Y583 HydrophobicContact CE2-CD2 4.1Å; Y575-Y583 HydrophobicContact CE2-CG 4.4Å; E576-Y583 HydrophobicContact CB-CE2 4.23Å; N579-Y583 HydrophobicContact CB-CE2 4.16Å; N579-Y583 VanDerWaalsContact O-CD2 3.24Å; N579-Y583 WeakPolarHBondContact O-CD2 3.34Å; H580-Y583 PolarHBondContact O-N 3.47Å; H580-Y583 VanDerWaalsContact O-N 3.14Å; Q581-Y583 VanDerWaalsContact C-N 3.35Å
584	D	93.4	Very high	90.9	Very high	34 Å²	34	69.4 Å²	69.4	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.5	168	-168	9.2	0	0	0	110.3	Y565 K567 R590	Y565-D584 HydrophobicContact CD1-CB 4.31Å; Y565-D584 PolarHBondContact N-O 3.18Å; Y565-D584 VanDerWaalsContact N-O 3.17Å; Y565-D584 PolarHBondContact O-N 3.12Å; K567-D584 HydrophobicContact CD-CB 4.32Å; K567-D584 HydrophobicContact CG-CB 4.24Å; D584-R590 IonicContact OD1-CZ 3.57Å; D584-R590 IonicContact OD1-NH1 3.6Å; D584-R590 PolarHBondContact OD1-NH1 3.46Å; D584-R590 IonicContact OD1-NH2 3.64Å; D584-R590 IonicContact OD2-CZ 2.73Å; D584-R590 IonicContact OD2-NH1 2.74Å; D584-R590 PolarHBondContact OD2-NH1 3.36Å; D584-R590 IonicContact OD2-NH2 3.54Å; D584-R590 PolarHBondContact OD2-NH2 3.36Å
585	F	91.8	Very high	90.6	Very high	92 Å²	92	67.1 Å²	67.1	40%	0.404	34%	0.335	S	S	.	.			trans	-98.5	98.5	178.6	-69.2	-90.9	0	0	0	109.5	V562 A564 Y575 S587	V562-F585 HydrophobicContact CG1-CE1 3.95Å; A564-F585 HydrophobicContact CB-CD1 3.88Å; A564-F585 HydrophobicContact CB-CE1 3.64Å; A564-F585 HydrophobicContact CB-CE2 4.46Å; A564-F585 HydrophobicContact CB-CG 4.4Å; A564-F585 HydrophobicContact CB-CZ 3.97Å; Y575-F585 HydrophobicContact CD2-CE2 4.07Å; Y575-F585 AromaticContact CD2-CZ 3.49Å; Y575-F585 HydrophobicContact CD2-CZ 3.49Å; Y575-F585 VanDerWaalsContact CD2-CZ 3.49Å; Y575-F585 AromaticContact CE2-CE2 3.96Å; Y575-F585 HydrophobicContact CE2-CE2 3.96Å; Y575-F585 AromaticContact CE2-CZ 3.7Å; Y575-F585 HydrophobicContact CE2-CZ 3.7Å; Y575-F585 AromaticContact CG-CZ 3.98Å; Y575-F585 HydrophobicContact CG-CZ 3.98Å; F585-S587 PolarHBondContact O-N 3.36Å
586	I	89.1	Confident	90.4	Very high	21 Å²	21	69.9 Å²	69.9	11%	0.108	34%	0.344	C	S	.	.			trans	-87.2	96.4	178.5	-52.6	-177.5	0	0	0	108.7	R590 M591 P601 P602 F605	I586-R590 HydrophobicContact CG2-CB 4.39Å; I586-R590 HydrophobicContact CG2-CG 4.32Å; I586-M591 HydrophobicContact CG2-CB 4.37Å; I586-P601 HydrophobicContact CD1-CB 4.44Å; I586-P602 VanDerWaalsContact CD1-CD 3.44Å; I586-P602 HydrophobicContact CD1-CG 3.99Å; I586-F605 HydrophobicContact CB-CD2 4.42Å; I586-F605 HydrophobicContact CB-CE2 3.74Å; I586-F605 HydrophobicContact CB-CZ 3.87Å; I586-F605 HydrophobicContact CD1-CD1 4.45Å; I586-F605 HydrophobicContact CD1-CD2 3.72Å; I586-F605 HydrophobicContact CD1-CE2 3.93Å; I586-F605 HydrophobicContact CD1-CG 3.99Å; I586-F605 HydrophobicContact CD1-CZ 4.38Å; I586-F605 HydrophobicContact CG1-CD2 4.39Å; I586-F605 HydrophobicContact CG1-CE2 4.19Å; I586-F605 HydrophobicContact CG2-CE1 4.38Å; I586-F605 HydrophobicContact CG2-CE2 4.33Å; I586-F605 HydrophobicContact CG2-CZ 3.97Å
587	S	84.4	Confident	90.2	Very high	64 Å²	64	70.7 Å²	70.7	45%	0.448	35%	0.348	S	S	.	.			trans	-66.1	160	176.8	71.1	0	0	0	0	112	F585 T589 R590 M591	F585-S587 PolarHBondContact O-N 3.36Å; S587-T589 PolarHBondContact O-N 2.9Å; S587-R590 PolarHBondContact O-N 2.92Å; S587-R590 VanDerWaalsContact O-N 3.1Å; S587-R590 PolarHBondContact OG-N 3.27Å; S587-M591 WeakPolarHBondContact O-CB 3.39Å; S587-M591 PolarHBondContact O-N 2.98Å
588	G	82.6	Confident	89.9	Confident	39 Å²	39	67.7 Å²	67.7	40%	0.402	34%	0.336	S	S	.	.	H	α-helix	trans	-54.5	-39	172.3	0	0	0	0	0	112.3	M591 R592	G588-M591 WeakPolarHBondContact O-CB 3.46Å; G588-M591 PolarHBondContact O-N 3.28Å; G588-R592 WeakPolarHBondContact O-CB 3.24Å; G588-R592 WeakPolarHBondContact O-CG 3.16Å; G588-R592 PolarHBondContact O-N 3.46Å
589	T	84.2	Confident	89.8	Confident	102 Å²	102	62.9 Å²	62.9	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-63.4	-43.9	176	-49.8	0	0	0	0	112.4	S587 R592 R593	S587-T589 PolarHBondContact O-N 2.9Å; T589-R592 PolarHBondContact O-N 2.82Å; T589-R593 PolarHBondContact O-N 3.03Å
590	R	88.9	Confident	89.7	Confident	79 Å²	79	64.3 Å²	64.3	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-43	176.7	-177.2	173.6	169.3	-161.7	-7.3	111.1	D584 I586 S587 R592 R593 M594	D584-R590 IonicContact OD1-CZ 3.57Å; D584-R590 IonicContact OD1-NH1 3.6Å; D584-R590 PolarHBondContact OD1-NH1 3.46Å; D584-R590 IonicContact OD1-NH2 3.64Å; D584-R590 IonicContact OD2-CZ 2.73Å; D584-R590 IonicContact OD2-NH1 2.74Å; D584-R590 PolarHBondContact OD2-NH1 3.36Å; D584-R590 IonicContact OD2-NH2 3.54Å; D584-R590 PolarHBondContact OD2-NH2 3.36Å; I586-R590 HydrophobicContact CG2-CB 4.39Å; I586-R590 HydrophobicContact CG2-CG 4.32Å; S587-R590 PolarHBondContact O-N 2.92Å; S587-R590 VanDerWaalsContact O-N 3.1Å; S587-R590 PolarHBondContact OG-N 3.27Å; R590-R592 PolarHBondContact O-N 3.14Å; R590-R593 PolarHBondContact O-N 3.36Å; R590-R593 VanDerWaalsContact O-N 3.17Å; R590-M594 HydrophobicContact CG-CG 4.43Å; R590-M594 HydrophobicContact CG-SD 4.06Å; R590-M594 VanDerWaalsContact O-CG 3.3Å; R590-M594 WeakPolarHBondContact O-CG 3.25Å; R590-M594 PolarHBondContact O-N 3.04Å
591	M	87.5	Confident	89.7	Confident	17 Å²	17	60 Å²	60	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-56.9	-47.6	174.5	-171.7	-162.8	-61.6	0	0	111.6	I586 S587 G588 R593 M594 A595 F605 M606 W611 L614	I586-M591 HydrophobicContact CG2-CB 4.37Å; S587-M591 WeakPolarHBondContact O-CB 3.39Å; S587-M591 PolarHBondContact O-N 2.98Å; G588-M591 WeakPolarHBondContact O-CB 3.46Å; G588-M591 PolarHBondContact O-N 3.28Å; M591-R593 VanDerWaalsContact C-N 3.3Å; M591-R593 PolarHBondContact O-N 3.32Å; M591-M594 PolarHBondContact O-N 3.48Å; M591-A595 WeakPolarHBondContact O-CB 3.29Å; M591-A595 PolarHBondContact O-N 3.35Å; M591-F605 HydrophobicContact CE-CE1 3.91Å; M591-F605 HydrophobicContact CE-CZ 3.85Å; M591-M606 HydrophobicContact CE-CE 4.38Å; M591-M606 HydrophobicContact SD-CE 4.35Å; M591-W611 HydrophobicContact CG-CH2 3.78Å; M591-W611 HydrophobicContact CG-CZ3 3.43Å; M591-W611 VanDerWaalsContact CG-CZ3 3.43Å; M591-W611 WeakPolarHBondContact O-CH2 3.46Å; M591-W611 HydrophobicContact SD-CZ3 4.27Å; M591-L614 HydrophobicContact SD-CD1 3.98Å
592	R	86.3	Confident	89.7	Confident	48 Å²	48	55.8 Å²	55.8	18%	0.181	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-38.6	176	-74.1	176.7	-172.8	170.5	12.4	112.7	D461 G588 T589 R590 R596 Y618	D461-R592 PolarHBondContact O-NH1 2.83Å; D461-R592 PolarHBondContact O-NH2 3.14Å; D461-R592 IonicContact OD2-CZ 3.94Å; D461-R592 IonicContact OD2-NH1 3Å; D461-R592 PolarHBondContact OD2-NH1 3.01Å; D461-R592 IonicContact OD2-NH2 3.91Å; D461-R592 PolarHBondContact OD2-NH2 3.47Å; D461-R592 VanDerWaalsContact OD2-NH2 3.12Å; G588-R592 WeakPolarHBondContact O-CB 3.24Å; G588-R592 WeakPolarHBondContact O-CG 3.16Å; G588-R592 PolarHBondContact O-N 3.46Å; T589-R592 PolarHBondContact O-N 2.82Å; R590-R592 PolarHBondContact O-N 3.14Å; R592-R596 WeakPolarHBondContact O-CG 3.38Å; R592-R596 PolarHBondContact O-N 2.94Å; R592-R596 PolarHBondContact O-NE 3.11Å; R592-R596 VanDerWaalsContact O-NE 3.11Å; R592-Y618 HydrophobicContact CB-CE1 4.2Å; R592-Y618 HydrophobicContact CG-CD1 4.38Å; R592-Y618 HydrophobicContact CG-CE1 3.53Å; R592-Y618 HydrophobicContact CG-CE2 4.26Å; R592-Y618 VanDerWaalsContact CG-CZ 3.45Å; R592-Y618 VanDerWaalsContact CG-OH 3.27Å; R592-Y618 WeakPolarHBondContact CG-OH 3.16Å
593	R	89.7	Confident	89.6	Confident	121 Å²	121	59.8 Å²	59.8	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-51.1	178.5	-170.4	-169.6	68.3	-160.2	-1.3	110.6	T589 R590 M591 A595 R596 E597	T589-R593 PolarHBondContact O-N 3.03Å; R590-R593 PolarHBondContact O-N 3.36Å; R590-R593 VanDerWaalsContact O-N 3.17Å; M591-R593 VanDerWaalsContact C-N 3.3Å; M591-R593 PolarHBondContact O-N 3.32Å; R593-A595 VanDerWaalsContact C-N 3.31Å; R593-A595 PolarHBondContact O-N 3Å; R593-R596 WeakPolarHBondContact O-CB 3.35Å; R593-R596 PolarHBondContact O-N 3.22Å; R593-R596 VanDerWaalsContact O-N 3.12Å; R593-E597 HydrophobicContact CG-CG 4.43Å; R593-E597 WeakPolarHBondContact CG-OE1 3.45Å; R593-E597 WeakPolarHBondContact CG-OE2 3.42Å; R593-E597 IonicContact NE-OE2 2.71Å; R593-E597 WeakPolarHBondContact O-CG 3.11Å; R593-E597 PolarHBondContact O-N 3.38Å
594	M	91.3	Very high	89.4	Confident	12 Å²	12	60.7 Å²	60.7	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-57.5	-43.9	178.6	-66	177.2	77.4	0	0	111.8	R590 M591 R596 E597 G598 E599 N600 P601 W611	R590-M594 HydrophobicContact CG-CG 4.43Å; R590-M594 HydrophobicContact CG-SD 4.06Å; R590-M594 VanDerWaalsContact O-CG 3.3Å; R590-M594 WeakPolarHBondContact O-CG 3.25Å; R590-M594 PolarHBondContact O-N 3.04Å; M591-M594 PolarHBondContact O-N 3.48Å; M594-R596 VanDerWaalsContact C-N 3.34Å; M594-R596 PolarHBondContact O-N 3.36Å; M594-E597 PolarHBondContact O-N 3.48Å; M594-G598 PolarHBondContact O-N 3.29Å; M594-G598 VanDerWaalsContact O-N 3.08Å; M594-E599 HydrophobicContact CB-CB 4.07Å; M594-E599 HydrophobicContact CE-CB 4.31Å; M594-E599 HydrophobicContact CG-CB 4.44Å; M594-E599 PolarHBondContact O-N 2.89Å; M594-N600 WeakPolarHBondContact CE-O 3.48Å; M594-P601 HydrophobicContact CE-CB 4.46Å; M594-W611 HydrophobicContact CB-CH2 4.27Å; M594-W611 HydrophobicContact CB-CZ2 4.16Å
595	A	89	Confident	89.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-35.5	178.9	0	0	0	0	0	113.4	M591 R593 W611 K615 Y618	M591-A595 WeakPolarHBondContact O-CB 3.29Å; M591-A595 PolarHBondContact O-N 3.35Å; R593-A595 VanDerWaalsContact C-N 3.31Å; R593-A595 PolarHBondContact O-N 3Å; A595-W611 HydrophobicContact CB-CH2 3.77Å; A595-W611 HydrophobicContact CB-CZ2 3.81Å; A595-K615 HydrophobicContact CB-CG 4.33Å; A595-Y618 HydrophobicContact CB-CD2 3.39Å; A595-Y618 HydrophobicContact CB-CE2 4.24Å; A595-Y618 HydrophobicContact CB-CG 3.97Å
596	R	87.3	Confident	89.6	Confident	111 Å²	111	55.4 Å²	55.4	42%	0.419	30%	0.298	S	S	.	.	H	α-helix	trans	-68.2	-47.4	174.2	-82.5	-178.3	-91.6	174.6	-9.6	112	R592 R593 M594 G598 E622	R592-R596 WeakPolarHBondContact O-CG 3.38Å; R592-R596 PolarHBondContact O-N 2.94Å; R592-R596 PolarHBondContact O-NE 3.11Å; R592-R596 VanDerWaalsContact O-NE 3.11Å; R593-R596 WeakPolarHBondContact O-CB 3.35Å; R593-R596 PolarHBondContact O-N 3.22Å; R593-R596 VanDerWaalsContact O-N 3.12Å; M594-R596 VanDerWaalsContact C-N 3.34Å; M594-R596 PolarHBondContact O-N 3.36Å; R596-G598 PolarHBondContact O-N 3.38Å; R596-G598 VanDerWaalsContact O-N 3.13Å; R596-E622 WeakPolarHBondContact CB-OE1 3.15Å
597	E	89.1	Confident	89.9	Confident	113 Å²	113	54.7 Å²	54.7	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-71	-5.1	179.6	-68.6	167.6	171.9	0	0	113.1	R593 M594 E599	R593-E597 HydrophobicContact CG-CG 4.43Å; R593-E597 WeakPolarHBondContact CG-OE1 3.45Å; R593-E597 WeakPolarHBondContact CG-OE2 3.42Å; R593-E597 IonicContact NE-OE2 2.71Å; R593-E597 WeakPolarHBondContact O-CG 3.11Å; R593-E597 PolarHBondContact O-N 3.38Å; M594-E597 PolarHBondContact O-N 3.48Å; E597-E599 HydrophobicContact CB-CG 4.07Å; E597-E599 PolarHBondContact O-N 2.96Å
598	G	84.8	Confident	90.4	Very high	36 Å²	36	57 Å²	57	37%	0.371	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	10	-178.2	0	0	0	0	0	114.1	M594 R596	M594-G598 PolarHBondContact O-N 3.29Å; M594-G598 VanDerWaalsContact O-N 3.08Å; R596-G598 PolarHBondContact O-N 3.38Å; R596-G598 VanDerWaalsContact O-N 3.13Å
599	E	91.8	Very high	91.1	Very high	93 Å²	93	59.7 Å²	59.7	44%	0.435	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-74.2	153.8	176.1	-59.6	-173.8	165.8	0	0	111.1	M594 E597 W611	M594-E599 HydrophobicContact CB-CB 4.07Å; M594-E599 HydrophobicContact CE-CB 4.31Å; M594-E599 HydrophobicContact CG-CB 4.44Å; M594-E599 PolarHBondContact O-N 2.89Å; E597-E599 HydrophobicContact CB-CG 4.07Å; E597-E599 PolarHBondContact O-N 2.96Å; E599-W611 WeakPolarHBondContact O-CZ2 3.18Å; E599-W611 PolarHBondContact O-NE1 3.43Å
600	N	92.7	Very high	91.6	Very high	88 Å²	88	54.8 Å²	54.8	47%	0.471	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-100.8	142.6	170.7	-64.9	-41.9	0	0	0	110.2	M594 W611 K615	M594-N600 WeakPolarHBondContact CE-O 3.48Å; N600-W611 PolarHBondContact OD1-NE1 3.3Å; N600-W611 VanDerWaalsContact OD1-NE1 3.16Å; N600-K615 PolarHBondContact OD1-NZ 3.27Å
601	P	93.7	Very high	92	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.071	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.1	165.7	167.3	32.5	-37.5	0	0	0	109.6	I586 M594 D603 F605 W611	I586-P601 HydrophobicContact CD1-CB 4.44Å; M594-P601 HydrophobicContact CE-CB 4.46Å; P601-D603 PolarHBondContact O-N 3.29Å; P601-F605 HydrophobicContact CB-CB 4.02Å; P601-F605 HydrophobicContact CB-CD1 3.54Å; P601-F605 HydrophobicContact CB-CE1 4.32Å; P601-F605 HydrophobicContact CB-CG 4.02Å; P601-F605 HydrophobicContact CG-CB 4.42Å; P601-F605 HydrophobicContact CG-CD1 3.82Å; P601-W611 VanDerWaalsContact CD-CD2 3.45Å; P601-W611 HydrophobicContact CG-CD2 3.91Å; P601-W611 HydrophobicContact CG-CE3 4.01Å; P601-W611 HydrophobicContact CG-CG 4.33Å; P601-W611 HydrophobicContact CG-CH2 4.49Å; P601-W611 HydrophobicContact CG-CZ2 4.44Å; P601-W611 HydrophobicContact CG-CZ3 4.3Å
602	P	94.1	Very high	92.4	Very high	37 Å²	37	52.7 Å²	52.7	24%	0.24	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-51.2	139.3	171.4	-25.2	35	0	0	0	111.7	Y565 I586 G604 F605	Y565-P602 HydrophobicContact CD1-CB 3.98Å; Y565-P602 HydrophobicContact CD1-CG 4.19Å; Y565-P602 HydrophobicContact CD2-CB 4.36Å; Y565-P602 HydrophobicContact CE1-CB 3.43Å; Y565-P602 VanDerWaalsContact CE1-CB 3.43Å; Y565-P602 HydrophobicContact CE1-CG 4.03Å; Y565-P602 HydrophobicContact CE2-CB 3.87Å; Y565-P602 HydrophobicContact CG-CB 4.4Å; I586-P602 VanDerWaalsContact CD1-CD 3.44Å; I586-P602 HydrophobicContact CD1-CG 3.99Å; P602-G604 PolarHBondContact O-N 3.47Å; P602-F605 WeakPolarHBondContact O-CB 3.46Å; P602-F605 PolarHBondContact O-N 2.87Å
603	D	93.8	Very high	92.9	Very high	125 Å²	125	51.4 Å²	51.4	67%	0.668	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	134.6	176.9	-70.2	-16.1	0	0	0	110.4	Y565 P601 F605	Y565-D603 WeakPolarHBondContact CE2-O 3.46Å; Y565-D603 PolarHBondContact OH-O 3.14Å; Y565-D603 VanDerWaalsContact OH-O 3.04Å; P601-D603 PolarHBondContact O-N 3.29Å; D603-F605 VanDerWaalsContact C-N 3.35Å
604	G	91.6	Very high	93.1	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.2	-176.6	0	0	0	0	0	115.2	N426 P602	N426-G604 WeakPolarHBondContact CB-O 3.24Å; N426-G604 PolarHBondContact ND2-O 3.26Å; P602-G604 PolarHBondContact O-N 3.47Å
605	F	94.2	Very high	93.3	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	26%	0.257	C	S	.	.	S	Bend	trans	-71.9	-41.8	170.1	176	-102.5	0	0	0	113	H425 N426 Y565 M572 I586 M591 P601 P602 D603	H425-F605 HydrophobicContact CB-CE1 4.12Å; H425-F605 HydrophobicContact CB-CE2 4.48Å; H425-F605 HydrophobicContact CB-CZ 4.07Å; N426-F605 VanDerWaalsContact CB-O 3.32Å; N426-F605 WeakPolarHBondContact CB-O 3.31Å; N426-F605 PolarHBondContact N-O 2.89Å; Y565-F605 HydrophobicContact CD2-CB 4.34Å; M572-F605 HydrophobicContact SD-CD2 3.68Å; M572-F605 HydrophobicContact SD-CE2 4.25Å; I586-F605 HydrophobicContact CB-CD2 4.42Å; I586-F605 HydrophobicContact CB-CE2 3.74Å; I586-F605 HydrophobicContact CB-CZ 3.87Å; I586-F605 HydrophobicContact CD1-CD1 4.45Å; I586-F605 HydrophobicContact CD1-CD2 3.72Å; I586-F605 HydrophobicContact CD1-CE2 3.93Å; I586-F605 HydrophobicContact CD1-CG 3.99Å; I586-F605 HydrophobicContact CD1-CZ 4.38Å; I586-F605 HydrophobicContact CG1-CD2 4.39Å; I586-F605 HydrophobicContact CG1-CE2 4.19Å; I586-F605 HydrophobicContact CG2-CE1 4.38Å; I586-F605 HydrophobicContact CG2-CE2 4.33Å; I586-F605 HydrophobicContact CG2-CZ 3.97Å; M591-F605 HydrophobicContact CE-CE1 3.91Å; M591-F605 HydrophobicContact CE-CZ 3.85Å; P601-F605 HydrophobicContact CB-CB 4.02Å; P601-F605 HydrophobicContact CB-CD1 3.54Å; P601-F605 HydrophobicContact CB-CE1 4.32Å; P601-F605 HydrophobicContact CB-CG 4.02Å; P601-F605 HydrophobicContact CG-CB 4.42Å; P601-F605 HydrophobicContact CG-CD1 3.82Å; P602-F605 WeakPolarHBondContact O-CB 3.46Å; P602-F605 PolarHBondContact O-N 2.87Å; D603-F605 VanDerWaalsContact C-N 3.35Å
606	M	95.6	Very high	93.6	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.044	28%	0.281	C	S	.	.	S	Bend	trans	-151	151.7	179.4	-175.5	179.4	-67.6	0	0	109.3	P423 H425 Q471 M591 A610 W611 L614	P423-M606 HydrophobicContact CB-CE 4.46Å; H425-M606 HydrophobicContact CB-CB 4.42Å; H425-M606 HydrophobicContact CB-CE 3.67Å; Q471-M606 PolarHBondContact NE2-SD 2.88Å; Q471-M606 VanDerWaalsContact NE2-SD 3.44Å; M591-M606 HydrophobicContact CE-CE 4.38Å; M591-M606 HydrophobicContact SD-CE 4.35Å; M606-A610 HydrophobicContact CG-CB 4.09Å; M606-A610 HydrophobicContact SD-CB 4.26Å; M606-W611 HydrophobicContact SD-CB 4.42Å; M606-W611 HydrophobicContact SD-CE3 4.03Å; M606-L614 HydrophobicContact CE-CD1 3.72Å; M606-L614 HydrophobicContact SD-CD1 3.68Å
607	A	95.2	Very high	93.9	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	27%	0.265	C	S	.	.			trans	-56	143	171.7	0	0	0	0	0	111.6	E478 V480 A610 W611	E478-A607 HydrophobicContact CB-CB 4.14Å; E478-A607 HydrophobicContact CG-CB 4.38Å; E478-A607 WeakPolarHBondContact OE1-CB 2.98Å; V480-A607 HydrophobicContact CG2-CB 3.73Å; A607-A610 HydrophobicContact CB-CB 3.86Å; A607-A610 WeakPolarHBondContact O-CB 3.5Å; A607-A610 PolarHBondContact O-N 3.32Å; A607-W611 PolarHBondContact O-N 3.06Å
608	L	95.2	Very high	94	Very high	113 Å²	113	43.2 Å²	43.2	59%	0.592	24%	0.242	S	C	*	.	H	α-helix	trans	-70.8	-42.1	-169	-70.3	175.9	0	0	0	113	E478 A610 W611 A612	E478-L608 PolarHBondContact OE1-N 2.84Å; E478-L608 PolarHBondContact OE2-N 3.38Å; E478-L608 VanDerWaalsContact OE2-N 3.12Å; L608-A610 VanDerWaalsContact C-N 3.31Å; L608-W611 PolarHBondContact O-N 3.01Å; L608-A612 PolarHBondContact O-N 3.34Å
609	K	96.6	Very high	94.2	Very high	95 Å²	95	45.3 Å²	45.3	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-40.1	172.1	-62.8	-174.9	174.1	176.4	0	110.4	A474 E477 E478 W611 A612 V613	A474-K609 HydrophobicContact CB-CB 3.96Å; E477-K609 IonicContact OE1-NZ 3.56Å; E477-K609 PolarHBondContact OE1-NZ 2.73Å; E477-K609 WeakPolarHBondContact OE2-CD 3.29Å; E477-K609 IonicContact OE2-NZ 3.3Å; E478-K609 HydrophobicContact CG-CB 4.16Å; E478-K609 HydrophobicContact CG-CD 3.93Å; E478-K609 HydrophobicContact CG-CG 3.99Å; E478-K609 WeakPolarHBondContact OE1-CA 3.4Å; E478-K609 WeakPolarHBondContact OE1-CB 3.35Å; E478-K609 PolarHBondContact OE1-N 3.19Å; K609-W611 VanDerWaalsContact C-N 3.32Å; K609-W611 PolarHBondContact O-N 2.88Å; K609-A612 WeakPolarHBondContact O-CB 3.39Å; K609-A612 PolarHBondContact O-N 2.83Å; K609-V613 WeakPolarHBondContact O-CG2 3.27Å; K609-V613 PolarHBondContact O-N 2.89Å; K609-V613 VanDerWaalsContact O-N 3.09Å
610	A	96.5	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-38.6	176.6	0	0	0	0	0	112	Q471 A474 V475 E478 M606 A607 L608 V613 L614	Q471-A610 HydrophobicContact CG-CB 4.16Å; Q471-A610 WeakPolarHBondContact CG-O 3.45Å; A474-A610 HydrophobicContact CB-CB 4.13Å; V475-A610 HydrophobicContact CG2-CB 3.51Å; E478-A610 PolarHBondContact OE1-N 2.95Å; M606-A610 HydrophobicContact CG-CB 4.09Å; M606-A610 HydrophobicContact SD-CB 4.26Å; A607-A610 HydrophobicContact CB-CB 3.86Å; A607-A610 WeakPolarHBondContact O-CB 3.5Å; A607-A610 PolarHBondContact O-N 3.32Å; L608-A610 VanDerWaalsContact C-N 3.31Å; A610-V613 PolarHBondContact O-N 3.16Å; A610-L614 PolarHBondContact O-N 2.76Å
611	W	96.5	Very high	93.7	Very high	3 Å²	3	43 Å²	43	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-39.6	171.7	-176.7	-116	0	0	0	112.4	M591 M594 A595 E599 N600 P601 M606 A607 L608 K609 V613 L614 K615	M591-W611 HydrophobicContact CG-CH2 3.78Å; M591-W611 HydrophobicContact CG-CZ3 3.43Å; M591-W611 VanDerWaalsContact CG-CZ3 3.43Å; M591-W611 WeakPolarHBondContact O-CH2 3.46Å; M591-W611 HydrophobicContact SD-CZ3 4.27Å; M594-W611 HydrophobicContact CB-CH2 4.27Å; M594-W611 HydrophobicContact CB-CZ2 4.16Å; A595-W611 HydrophobicContact CB-CH2 3.77Å; A595-W611 HydrophobicContact CB-CZ2 3.81Å; E599-W611 WeakPolarHBondContact O-CZ2 3.18Å; E599-W611 PolarHBondContact O-NE1 3.43Å; N600-W611 PolarHBondContact OD1-NE1 3.3Å; N600-W611 VanDerWaalsContact OD1-NE1 3.16Å; P601-W611 VanDerWaalsContact CD-CD2 3.45Å; P601-W611 HydrophobicContact CG-CD2 3.91Å; P601-W611 HydrophobicContact CG-CE3 4.01Å; P601-W611 HydrophobicContact CG-CG 4.33Å; P601-W611 HydrophobicContact CG-CH2 4.49Å; P601-W611 HydrophobicContact CG-CZ2 4.44Å; P601-W611 HydrophobicContact CG-CZ3 4.3Å; M606-W611 HydrophobicContact SD-CB 4.42Å; M606-W611 HydrophobicContact SD-CE3 4.03Å; A607-W611 PolarHBondContact O-N 3.06Å; L608-W611 PolarHBondContact O-N 3.01Å; K609-W611 VanDerWaalsContact C-N 3.32Å; K609-W611 PolarHBondContact O-N 2.88Å; W611-V613 VanDerWaalsContact C-N 3.31Å; W611-V613 PolarHBondContact O-N 2.7Å; W611-L614 HydrophobicContact CE3-CB 4.38Å; W611-L614 HydrophobicContact CE3-CD1 4.08Å; W611-L614 HydrophobicContact CZ3-CD1 4.16Å; W611-L614 PolarHBondContact O-N 2.75Å; W611-L614 VanDerWaalsContact O-N 3.08Å; W611-K615 VanDerWaalsContact CD1-CE 3.49Å; W611-K615 HydrophobicContact CZ2-CG 4.36Å; W611-K615 PolarHBondContact O-N 3.19Å
612	A	96.4	Very high	92.5	Very high	48 Å²	48	48.4 Å²	48.4	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-41.1	176.9	0	0	0	0	0	112.2	L608 K609 L614 K615 E616	L608-A612 PolarHBondContact O-N 3.34Å; K609-A612 WeakPolarHBondContact O-CB 3.39Å; K609-A612 PolarHBondContact O-N 2.83Å; A612-L614 VanDerWaalsContact C-N 3.31Å; A612-L614 PolarHBondContact O-N 3.33Å; A612-K615 PolarHBondContact O-N 3.45Å; A612-E616 PolarHBondContact O-N 3.29Å
613	V	96.4	Very high	90.8	Very high	21 Å²	21	55.5 Å²	55.5	13%	0.127	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-40.8	173.9	176.2	0	0	0	0	111.6	W467 K470 Q471 A474 K609 A610 W611 E616 Y617	W467-V613 HydrophobicContact CE3-CG1 4.06Å; K470-V613 HydrophobicContact CB-CG1 3.87Å; Q471-V613 HydrophobicContact CB-CB 4.36Å; Q471-V613 HydrophobicContact CB-CG1 3.99Å; A474-V613 HydrophobicContact CB-CG2 4.28Å; K609-V613 WeakPolarHBondContact O-CG2 3.27Å; K609-V613 PolarHBondContact O-N 2.89Å; K609-V613 VanDerWaalsContact O-N 3.09Å; A610-V613 PolarHBondContact O-N 3.16Å; W611-V613 VanDerWaalsContact C-N 3.31Å; W611-V613 PolarHBondContact O-N 2.7Å; V613-E616 PolarHBondContact O-N 2.77Å; V613-Y617 PolarHBondContact O-N 3.47Å
614	L	94.4	Very high	88.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-40.8	177	-67.1	-177.4	0	0	0	112.3	P423 Q471 M591 M606 A610 W611 A612 E616 Y617 Y618	P423-L614 HydrophobicContact CB-CD1 3.9Å; P423-L614 HydrophobicContact CB-CD2 3.99Å; P423-L614 HydrophobicContact CB-CG 4.47Å; P423-L614 HydrophobicContact CG-CD1 4.16Å; P423-L614 HydrophobicContact CG-CD2 3.61Å; Q471-L614 HydrophobicContact CG-CD2 4.18Å; Q471-L614 HydrophobicContact CG-CG 4.1Å; M591-L614 HydrophobicContact SD-CD1 3.98Å; M606-L614 HydrophobicContact CE-CD1 3.72Å; M606-L614 HydrophobicContact SD-CD1 3.68Å; A610-L614 PolarHBondContact O-N 2.76Å; W611-L614 HydrophobicContact CE3-CB 4.38Å; W611-L614 HydrophobicContact CE3-CD1 4.08Å; W611-L614 HydrophobicContact CZ3-CD1 4.16Å; W611-L614 PolarHBondContact O-N 2.75Å; W611-L614 VanDerWaalsContact O-N 3.08Å; A612-L614 VanDerWaalsContact C-N 3.31Å; A612-L614 PolarHBondContact O-N 3.33Å; L614-E616 VanDerWaalsContact C-N 3.34Å; L614-Y617 PolarHBondContact O-N 3.27Å; L614-Y618 HydrophobicContact CB-CD2 4.3Å; L614-Y618 HydrophobicContact CB-CE2 4.29Å; L614-Y618 HydrophobicContact CD2-CE2 4.44Å; L614-Y618 WeakPolarHBondContact O-CD2 3.22Å; L614-Y618 PolarHBondContact O-N 3.02Å
615	K	94.1	Very high	88.6	Confident	49 Å²	49	57.1 Å²	57.1	21%	0.213	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-47.3	174	-75	-169.2	-68.7	-169.7	0	111.2	A595 N600 W611 A612 Y617 Y618 Q619	A595-K615 HydrophobicContact CB-CG 4.33Å; N600-K615 PolarHBondContact OD1-NZ 3.27Å; W611-K615 VanDerWaalsContact CD1-CE 3.49Å; W611-K615 HydrophobicContact CZ2-CG 4.36Å; W611-K615 PolarHBondContact O-N 3.19Å; A612-K615 PolarHBondContact O-N 3.45Å; K615-Y617 VanDerWaalsContact C-N 3.34Å; K615-Y617 PolarHBondContact O-N 3.4Å; K615-Y618 PolarHBondContact O-N 2.85Å; K615-Q619 VanDerWaalsContact O-CB 3.25Å; K615-Q619 WeakPolarHBondContact O-CB 3.45Å; K615-Q619 WeakPolarHBondContact O-CG 3.5Å; K615-Q619 PolarHBondContact O-N 2.98Å
616	E	94.9	Very high	88.3	Confident	108 Å²	108	59.8 Å²	59.8	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-48.2	176.7	-171.9	-171.5	165.1	0	0	111.4	W467 A612 V613 L614 S620	W467-E616 HydrophobicContact CH2-CG 3.97Å; W467-E616 HydrophobicContact CZ3-CB 4.27Å; W467-E616 HydrophobicContact CZ3-CG 4.06Å; A612-E616 PolarHBondContact O-N 3.29Å; V613-E616 PolarHBondContact O-N 2.77Å; L614-E616 VanDerWaalsContact C-N 3.34Å; E616-S620 WeakPolarHBondContact O-CB 3.27Å; E616-S620 PolarHBondContact O-N 2.76Å
617	Y	93.9	Very high	87.9	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.071	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-55.3	176.1	169	-117.4	0	0	0	112.2	V463 P464 W467 V613 L614 K615 Q619 S620 L621	V463-Y617 HydrophobicContact CB-CE1 4.33Å; V463-Y617 HydrophobicContact CG1-CD1 4.05Å; V463-Y617 HydrophobicContact CG1-CE1 4Å; V463-Y617 HydrophobicContact CG2-CD1 4.38Å; V463-Y617 HydrophobicContact CG2-CE1 3.99Å; P464-Y617 WeakPolarHBondContact CD-OH 3.26Å; P464-Y617 HydrophobicContact CG-CE2 4.05Å; W467-Y617 HydrophobicContact CB-CD2 4.41Å; W467-Y617 HydrophobicContact CB-CG 4.44Å; W467-Y617 AromaticContact CD1-CD2 3.43Å; W467-Y617 VanDerWaalsContact CD1-CD2 3.43Å; W467-Y617 AromaticContact CD1-CE2 3.83Å; W467-Y617 AromaticContact CD2-CD2 3.88Å; W467-Y617 HydrophobicContact CD2-CD2 3.88Å; W467-Y617 HydrophobicContact CD2-CG 4.16Å; W467-Y617 AromaticContact CE2-CD2 3.78Å; W467-Y617 AromaticContact CG-CD2 3.68Å; W467-Y617 HydrophobicContact CG-CD2 3.68Å; W467-Y617 HydrophobicContact CG-CE2 4.39Å; W467-Y617 HydrophobicContact CG-CG 4.05Å; W467-Y617 AromaticContact NE1-CD2 3.5Å; V613-Y617 PolarHBondContact O-N 3.47Å; L614-Y617 PolarHBondContact O-N 3.27Å; K615-Y617 VanDerWaalsContact C-N 3.34Å; K615-Y617 PolarHBondContact O-N 3.4Å; Y617-Q619 VanDerWaalsContact C-N 3.34Å; Y617-Q619 PolarHBondContact O-N 3.13Å; Y617-S620 WeakPolarHBondContact O-CB 3.47Å; Y617-S620 PolarHBondContact O-N 3.44Å; Y617-S620 VanDerWaalsContact O-N 3.09Å; Y617-S620 PolarHBondContact O-OG 2.97Å; Y617-L621 HydrophobicContact CE1-CD1 4.1Å; Y617-L621 HydrophobicContact CE2-CD1 4.22Å; Y617-L621 HydrophobicContact CE2-CD2 4.09Å; Y617-L621 HydrophobicContact CE2-CG 4.17Å; Y617-L621 PolarHBondContact O-N 3.27Å
618	Y	91.1	Very high	87.4	Confident	11 Å²	11	66 Å²	66	4%	0.043	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-32.2	-174.2	-75.1	-61.5	0	0	0	113.1	V463 R592 A595 L614 K615 S620 L621	V463-Y618 VanDerWaalsContact CG2-OH 3.26Å; V463-Y618 WeakPolarHBondContact CG2-OH 3.2Å; R592-Y618 HydrophobicContact CB-CE1 4.2Å; R592-Y618 HydrophobicContact CG-CD1 4.38Å; R592-Y618 HydrophobicContact CG-CE1 3.53Å; R592-Y618 HydrophobicContact CG-CE2 4.26Å; R592-Y618 VanDerWaalsContact CG-CZ 3.45Å; R592-Y618 VanDerWaalsContact CG-OH 3.27Å; R592-Y618 WeakPolarHBondContact CG-OH 3.16Å; A595-Y618 HydrophobicContact CB-CD2 3.39Å; A595-Y618 HydrophobicContact CB-CE2 4.24Å; A595-Y618 HydrophobicContact CB-CG 3.97Å; L614-Y618 HydrophobicContact CB-CD2 4.3Å; L614-Y618 HydrophobicContact CB-CE2 4.29Å; L614-Y618 HydrophobicContact CD2-CE2 4.44Å; L614-Y618 WeakPolarHBondContact O-CD2 3.22Å; L614-Y618 PolarHBondContact O-N 3.02Å; K615-Y618 PolarHBondContact O-N 2.85Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; Y618-L621 HydrophobicContact CD1-CD1 4.03Å; Y618-L621 PolarHBondContact O-N 3.29Å
619	Q	89.1	Confident	86.9	Confident	80 Å²	80	63.1 Å²	63.1	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-71.9	-26.8	172.6	-70	175.5	-14.9	0	0	112.4	K615 Y617 L621 E622	K615-Q619 VanDerWaalsContact O-CB 3.25Å; K615-Q619 WeakPolarHBondContact O-CB 3.45Å; K615-Q619 WeakPolarHBondContact O-CG 3.5Å; K615-Q619 PolarHBondContact O-N 2.98Å; Y617-Q619 VanDerWaalsContact C-N 3.34Å; Y617-Q619 PolarHBondContact O-N 3.13Å; Q619-L621 VanDerWaalsContact C-N 3.3Å; Q619-E622 PolarHBondContact O-N 3.1Å
620	S	89.4	Confident	86.3	Confident	48 Å²	48	60.9 Å²	60.9	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-29.1	173.3	78.7	0	0	0	0	112.8	E616 Y617 Y618 E622 K623 A624	E616-S620 WeakPolarHBondContact O-CB 3.27Å; E616-S620 PolarHBondContact O-N 2.76Å; Y617-S620 WeakPolarHBondContact O-CB 3.47Å; Y617-S620 PolarHBondContact O-N 3.44Å; Y617-S620 VanDerWaalsContact O-N 3.09Å; Y617-S620 PolarHBondContact O-OG 2.97Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; S620-E622 VanDerWaalsContact C-N 3.29Å; S620-E622 PolarHBondContact O-N 3.26Å; S620-K623 PolarHBondContact O-N 3.1Å; S620-A624 PolarHBondContact O-N 3.34Å
621	L	84.7	Confident	85.6	Confident	85 Å²	85	65.3 Å²	65.3	45%	0.445	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.3	177.2	-64.7	178.8	0	0	0	113.5	Y617 Y618 Q619	Y617-L621 HydrophobicContact CE1-CD1 4.1Å; Y617-L621 HydrophobicContact CE2-CD1 4.22Å; Y617-L621 HydrophobicContact CE2-CD2 4.09Å; Y617-L621 HydrophobicContact CE2-CG 4.17Å; Y617-L621 PolarHBondContact O-N 3.27Å; Y618-L621 HydrophobicContact CD1-CD1 4.03Å; Y618-L621 PolarHBondContact O-N 3.29Å; Q619-L621 VanDerWaalsContact C-N 3.3Å
622	E	69	Low	84.7	Confident	124 Å²	124	70.1 Å²	70.1	58%	0.579	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.6	175.2	-67.1	-174.9	170.1	0	0	112.8	R596 Q619 S620	R596-E622 WeakPolarHBondContact CB-OE1 3.15Å; Q619-E622 PolarHBondContact O-N 3.1Å; S620-E622 VanDerWaalsContact C-N 3.29Å; S620-E622 PolarHBondContact O-N 3.26Å
623	K	57.8	Low	83.8	Confident	185 Å²	185	71.9 Å²	71.9	80%	0.804	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.3	180	-66.3	179.7	-178.9	176.2	0	113.2	S620	S620-K623 PolarHBondContact O-N 3.1Å
624	A	50.3	Low	82.6	Confident	134 Å²	134	76.5 Å²	76.5	100%	1.107	41%	0.407	S	S	*	.			trans	-100.8	0	178.1	0	0	0	0	0	109.8	S620	S620-A624 PolarHBondContact O-N 3.34Å

Retrieved 624 of 624 residues in 654.6 ms (Link to these results)

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