A0A087XDK1_POEFO Loading...

Beta-galactosidase

AlphaFold DB , UniProt , Accession A0A087XDK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	28.7	Very low	234 Å²	234	174.8 Å²	174.8	100%	1.153	83%	0.826	S	S	*	*				0	86.6	0	-119.9	170.2	-92.3	0	0	106.2
2	R	28.8	Very low	28.3	Very low	242 Å²	242	174.8 Å²	174.8	91%	0.913	83%	0.833	S	S	*	*				66.3	126.5	101.5	-81.6	-166.7	178.2	-177.5	0.1	111.5
3	V	30.1	Very low	28.2	Very low	114 Å²	114	167.8 Å²	167.8	69%	0.691	82%	0.822	S	S	*	*			cis	-171	128.8	23.2	143.6	0	0	0	0	106
4	K	33.8	Very low	28.1	Very low	183 Å²	183	172.9 Å²	172.9	80%	0.796	83%	0.828	S	S	*	*				62.8	126.9	85.9	-96.1	-170.3	-175.4	-175.6	0	117.1
5	F	29.7	Very low	27.9	Very low	182 Å²	182	171.9 Å²	171.9	80%	0.798	83%	0.828	S	S	*	*				163.6	111.9	125.2	-104.4	-94.4	0	0	0	109.2
6	V	30.4	Very low	27.9	Very low	109 Å²	109	173.6 Å²	173.6	66%	0.661	83%	0.831	S	S	*	*				82.8	118.4	65.3	172.9	0	0	0	0	114.2
7	L	25.8	Very low	27.7	Very low	169 Å²	169	167.6 Å²	167.6	89%	0.885	83%	0.826	S	S	*	*				-164.6	131.9	122.7	-105.6	149.6	0	0	0	112.3
8	K	27.5	Very low	27.6	Very low	186 Å²	186	164.4 Å²	164.4	81%	0.809	82%	0.822	S	S	*	*			trans	-106.9	159	176.6	-103.5	-178.3	174.5	-177.7	0	108.7
9	Y	27	Very low	27.5	Very low	210 Å²	210	163.6 Å²	163.6	82%	0.824	82%	0.82	S	S	*	*			trans	158.4	140.8	137.3	-88.5	-66.6	0	0	0	106.8
10	N	25.8	Very low	27.4	Very low	146 Å²	146	163.6 Å²	163.6	78%	0.781	82%	0.819	S	S	*	*			cis	-158.4	162.7	26	-127.6	-30.7	0	0	0	112.1
11	L	24.3	Very low	27.3	Very low	148 Å²	148	164.5 Å²	164.5	78%	0.775	82%	0.818	S	S	*	*			trans	-101.7	152.3	-173.1	-168.1	89.8	0	0	0	110.5
12	L	24.3	Very low	26.9	Very low	175 Å²	175	160 Å²	160	92%	0.916	80%	0.803	S	S	*	*			trans	-178.5	144.7	130.9	-101.8	147.2	0	0	0	113.9
13	A	26.1	Very low	26.7	Very low	83 Å²	83	153.1 Å²	153.1	69%	0.686	79%	0.792	S	S	*	*			trans	-118.5	151	-164.9	0	0	0	0	0	112.9
14	R	27	Very low	26.4	Very low	239 Å²	239	157.5 Å²	157.5	90%	0.902	80%	0.802	S	S	*	*			trans	20.1	126	146.9	-67.8	-179.9	172.7	-179	-2.6	120.2
15	L	26.1	Very low	25.9	Very low	158 Å²	158	152.4 Å²	152.4	83%	0.827	80%	0.802	S	S	*	*				-169.9	157.3	129.6	-108.4	152.1	0	0	0	112
16	F	27.3	Very low	25.6	Very low	200 Å²	200	147.2 Å²	147.2	88%	0.877	80%	0.8	S	S	*	*			trans	100.1	112.3	170	-71.6	-81.6	0	0	0	119.2
17	G	24.2	Very low	25.3	Very low	72 Å²	72	150.6 Å²	150.6	74%	0.742	81%	0.813	S	S	*	*			trans	-107.8	161.2	156.1	0	0	0	0	0	111.1
18	S	25.8	Very low	25.3	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	81%	0.805	S	S	*	*			trans	175.1	133.2	140.5	-176	0	0	0	0	111.5
19	L	25.4	Very low	25.2	Very low	150 Å²	150	148.4 Å²	148.4	79%	0.785	81%	0.81	S	S	*	*			trans	11	132.8	153.8	-70	93.5	0	0	0	121.9
20	M	25.8	Very low	25.1	Very low	162 Å²	162	144.4 Å²	144.4	80%	0.798	81%	0.807	S	S	*	*				172.1	137	99	-95.4	-152.2	-170.7	0	0	114.5
21	K	25.7	Very low	25.1	Very low	184 Å²	184	142.5 Å²	142.5	80%	0.8	81%	0.805	S	S	*	*			trans	42	110.4	142.4	-71.3	-179.3	174.2	178.6	0	122.9
22	V	24.7	Very low	25.1	Very low	139 Å²	139	143.4 Å²	143.4	84%	0.842	81%	0.81	S	S	*	*				22	122	123.1	-171.3	0	0	0	0	119.4
23	S	23.7	Very low	25.1	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	80%	0.8	S	S	*	*				163.5	122.3	115.1	175.1	0	0	0	0	114
24	F	24.5	Very low	24.9	Very low	206 Å²	206	147.3 Å²	147.3	90%	0.904	81%	0.813	S	S	*	*			trans	46.9	124.1	149.6	-76.4	-89.3	0	0	0	123.4
25	G	22.4	Very low	24.8	Very low	77 Å²	77	145.4 Å²	145.4	79%	0.794	81%	0.811	S	S	*	*				121.8	103.6	123.5	0	0	0	0	0	117.1
26	G	24	Very low	24.8	Very low	73 Å²	73	145.7 Å²	145.7	75%	0.753	81%	0.814	S	S	*	*			trans	99.2	122	143.4	0	0	0	0	0	118
27	L	24.5	Very low	24.8	Very low	180 Å²	180	142.3 Å²	142.3	94%	0.942	81%	0.812	S	S	*	*			trans	84.3	128	151.7	-66.1	152.2	0	0	0	119.3
28	S	25.3	Very low	24.9	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	81%	0.814	S	S	*	*			trans	70.7	91.5	152.8	170.9	0	0	0	0	117.6
29	K	24.7	Very low	25	Very low	207 Å²	207	144.1 Å²	144.1	90%	0.9	82%	0.819	S	S	*	*			trans	-104.2	98	150.1	-84	-171.9	178	-179.2	0	110	S31	K29-S31 PolarHBondContact O-N 3.48Å
30	T	26.2	Very low	25.2	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	81%	0.811	S	S	*	*			trans	-66.4	111.4	143.8	34.6	0	0	0	0	107.9
31	S	24.5	Very low	25.4	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	81%	0.812	S	S	*	*			trans	-111.7	108.8	161	62	0	0	0	0	108.3	K29 A33	K29-S31 PolarHBondContact O-N 3.48Å; S31-A33 PolarHBondContact O-N 2.86Å
32	L	24.2	Very low	25.4	Very low	167 Å²	167	134.9 Å²	134.9	87%	0.874	80%	0.804	S	S	*	*			trans	-61.3	103.9	163.9	-95.9	82.1	0	0	0	108.4
33	A	24.5	Very low	25.9	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.6	132.3	156.5	0	0	0	0	0	108.4	S31 K35	S31-A33 PolarHBondContact O-N 2.86Å; A33-K35 PolarHBondContact O-N 2.95Å
34	W	22.2	Very low	26.2	Very low	254 Å²	254	139.9 Å²	139.9	96%	0.962	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.3	170.7	-83	62.3	0	0	0	109.6	N36	W34-N36 PolarHBondContact O-N 2.93Å
35	K	24.5	Very low	26.5	Very low	200 Å²	200	137.7 Å²	137.7	87%	0.87	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.6	122.4	179.6	-77.5	175.9	171.3	179.6	0	110.8	A33	A33-K35 PolarHBondContact O-N 2.95Å
36	N	26.4	Very low	27	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.1	129.9	152.7	-95.2	-17.7	0	0	0	109	W34	W34-N36 PolarHBondContact O-N 2.93Å
37	P	28.7	Very low	27.4	Very low	130 Å²	130	142.9 Å²	142.9	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.3	126.7	169.1	17.7	-4.9	0	0	0	110.8
38	G	24.7	Very low	27.7	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	79%	0.792	S	S	*	*			trans	105.8	66.4	152.8	0	0	0	0	0	116.7	G40	G38-G40 PolarHBondContact O-N 3.19Å
39	T	29.1	Very low	28.4	Very low	143 Å²	143	149.2 Å²	149.2	88%	0.877	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61	119	151.4	45.9	0	0	0	0	108.9
40	G	29.7	Very low	29	Very low	59 Å²	59	143.5 Å²	143.5	61%	0.608	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59	160.7	161.6	0	0	0	0	0	110.7	G38 D42	G38-G40 PolarHBondContact O-N 3.19Å; G40-D42 PolarHBondContact O-N 3.06Å
41	P	28.8	Very low	29.8	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-61.6	132.5	-170.1	25.2	-32.1	0	0	0	111.3	L43	P41-L43 PolarHBondContact O-N 2.88Å
42	D	27.3	Very low	31.1	Very low	116 Å²	116	151.8 Å²	151.8	62%	0.62	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-51.8	119.4	170.4	-166.8	-1.8	0	0	0	109.1	G40 R44	G40-D42 PolarHBondContact O-N 3.06Å; D42-R44 PolarHBondContact O-N 2.7Å; D42-R44 IonicContact OD1-NE 3.15Å; D42-R44 PolarHBondContact OD1-NE 3.44Å; D42-R44 IonicContact OD2-NE 2.84Å
43	L	35.2	Very low	33.1	Very low	144 Å²	144	152.9 Å²	152.9	75%	0.754	80%	0.797	S	S	*	*	S	Bend	trans	-74.2	41.4	178.8	-80.6	164.5	0	0	0	112.3	P41	P41-L43 PolarHBondContact O-N 2.88Å
44	R	29.7	Very low	35.8	Very low	197 Å²	197	153.8 Å²	153.8	74%	0.743	78%	0.782	S	S	*	*			trans	-117.3	54.1	174.5	-68.5	-172.9	-121.9	-163.8	-7.2	111	D42	D42-R44 PolarHBondContact O-N 2.7Å; D42-R44 IonicContact OD1-NE 3.15Å; D42-R44 PolarHBondContact OD1-NE 3.44Å; D42-R44 IonicContact OD2-NE 2.84Å
45	D	29.3	Very low	38.9	Very low	159 Å²	159	146 Å²	146	85%	0.85	76%	0.762	S	S	*	*			trans	-164	62.8	157.2	-100	-22.4	0	0	0	109.8
46	H	33.8	Very low	42.1	Very low	143 Å²	143	138.7 Å²	138.7	66%	0.662	73%	0.731	S	S	*	*	S	Bend	trans	-89.5	133.3	151.4	-76.8	-59.9	0	0	0	107.3	Q48	H46-Q48 PolarHBondContact O-N 2.69Å
47	P	31.4	Very low	45.4	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	69%	0.694	S	S	*	*			trans	-54.1	123.9	171.9	23.2	-30.6	0	0	0	106.8	R49	P47-R49 VanDerWaalsContact C-N 3.26Å; P47-R49 PolarHBondContact O-N 2.79Å
48	Q	32.1	Very low	48.7	Very low	193 Å²	193	125.3 Å²	125.3	90%	0.902	66%	0.655	S	S	*	*			trans	-50.6	97.4	172.7	-73.4	-178.9	0.4	0	0	107	H46 A50	H46-Q48 PolarHBondContact O-N 2.69Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 2.92Å
49	R	39.6	Very low	52.2	Low	222 Å²	222	126.7 Å²	126.7	84%	0.838	64%	0.636	S	S	*	*			trans	-55.6	110.9	161.2	-103.7	-177	173.7	177.3	0	103.1	P47 R51	P47-R49 VanDerWaalsContact C-N 3.26Å; P47-R49 PolarHBondContact O-N 2.79Å; R49-R51 PolarHBondContact O-N 3.22Å
50	A	38.2	Very low	55.4	Low	87 Å²	87	120.3 Å²	120.3	72%	0.719	60%	0.598	S	S	*	*			trans	-42.1	117.3	174.6	0	0	0	0	0	106.5	Q48 M52	Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 2.92Å; A50-M52 PolarHBondContact O-N 2.71Å
51	R	43.2	Very low	58.4	Low	246 Å²	246	122.8 Å²	122.8	93%	0.928	60%	0.597	S	S	*	*			trans	-55.1	97.9	172.3	-99.5	180	164.7	-178.2	-4.9	104.8	R49 K53	R49-R51 PolarHBondContact O-N 3.22Å; R51-K53 PolarHBondContact O-N 3.32Å
52	M	51.4	Low	61.5	Low	159 Å²	159	119.1 Å²	119.1	78%	0.783	58%	0.575	S	S	*	*			trans	-53	122.9	167.8	-82.1	-168.9	-74.8	0	0	104.5	A50 R54	A50-M52 PolarHBondContact O-N 2.71Å; M52-R54 VanDerWaalsContact C-N 3.35Å; M52-R54 PolarHBondContact O-N 3.08Å
53	K	64.8	Low	64.6	Low	191 Å²	191	117.6 Å²	117.6	83%	0.83	57%	0.573	S	S	*	*			trans	-58.6	107.2	172.7	-98.4	-176.8	172.2	179.8	0	105.4	R51 V55	R51-K53 PolarHBondContact O-N 3.32Å; K53-V55 WeakPolarHBondContact O-CG2 3.42Å; K53-V55 PolarHBondContact O-N 2.83Å
54	R	83.1	Confident	67.4	Low	104 Å²	104	114.7 Å²	114.7	39%	0.392	56%	0.556	S	S	.	*			trans	-60.2	118.9	172.9	-70.1	-173.1	177	-144.2	-1.7	107.8	M52 E68 Y198 G201 G202	M52-R54 VanDerWaalsContact C-N 3.35Å; M52-R54 PolarHBondContact O-N 3.08Å; R54-E68 WeakPolarHBondContact CA-OE1 3.5Å; R54-Y198 HydrophobicContact CB-CE1 4.42Å; R54-Y198 HydrophobicContact CG-CE2 4.38Å; R54-Y198 PolarHBondContact NH1-O 2.78Å; R54-G201 VanDerWaalsContact CZ-O 3.26Å; R54-G201 PolarHBondContact NH2-O 2.77Å; R54-G202 PolarHBondContact NH1-O 2.79Å; R54-G202 PolarHBondContact NH2-O 2.77Å; R54-G202 VanDerWaalsContact NH2-O 3.11Å
55	V	85.2	Confident	70.7	Confident	90 Å²	90	105.6 Å²	105.6	55%	0.545	52%	0.522	S	S	.	.			trans	-103	-51.1	-175	-172	0	0	0	0	109.9	K53 E68 K69	K53-V55 WeakPolarHBondContact O-CG2 3.42Å; K53-V55 PolarHBondContact O-N 2.83Å; V55-E68 WeakPolarHBondContact CA-OE2 3.39Å; V55-E68 WeakPolarHBondContact CB-OE2 3.17Å; V55-E68 PolarHBondContact N-OE2 2.71Å; V55-K69 HydrophobicContact CG1-CD 4.04Å
56	E	92.2	Very high	74	Confident	46 Å²	46	98.9 Å²	98.9	22%	0.215	49%	0.487	C	S	.	.			trans	-153.2	134.5	-174.7	-171	167.6	-132.6	0	0	112	R59 E68 K69 Y198	E56-R59 HydrophobicContact CG-CG 3.86Å; E56-R59 IonicContact OE1-CZ 2.76Å; E56-R59 IonicContact OE1-NE 3.72Å; E56-R59 PolarHBondContact OE1-NE 3.32Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.17Å; E56-E68 PolarHBondContact N-OE2 3.15Å; E56-E68 WeakPolarHBondContact O-CA 3.34Å; E56-E68 PolarHBondContact O-N 2.93Å; E56-K69 HydrophobicContact CB-CG 4.23Å; E56-K69 WeakPolarHBondContact OE2-CG 3.4Å; E56-Y198 VanDerWaalsContact C-CE1 3.49Å; E56-Y198 PolarHBondContact O-OH 3.43Å
57	G	95.9	Very high	77	Confident	9 Å²	9	92.6 Å²	92.6	9%	0.093	46%	0.458	C	S	.	.			trans	-70.1	-172.2	174.2	0	0	0	0	0	112.8	R59 Y198	G57-R59 PolarHBondContact O-N 2.7Å; G57-Y198 VanDerWaalsContact N-CE1 3.25Å
58	L	98.1	Very high	80	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.016	43%	0.432	C	S	.	.			trans	-64.1	127.6	-179.4	-173.2	73.3	0	0	0	110.4	F65 S66 L67 F72 I74 I205 A206 L238	L58-F65 HydrophobicContact CD1-CB 3.9Å; L58-F65 HydrophobicContact CD1-CD1 3.91Å; L58-F65 HydrophobicContact CD1-CG 4.18Å; L58-F65 HydrophobicContact CD2-CD1 4.06Å; L58-F65 HydrophobicContact CD2-CE1 4.21Å; L58-F65 HydrophobicContact CG-CD1 3.98Å; L58-S66 CarbonylContact C-O 3.47Å; L58-S66 WeakPolarHBondContact CA-O 3.41Å; L58-L67 HydrophobicContact CB-CD1 4.39Å; L58-L67 HydrophobicContact CD1-CB 4.41Å; L58-F72 HydrophobicContact CD1-CD1 3.65Å; L58-F72 HydrophobicContact CD1-CE1 4.24Å; L58-I74 HydrophobicContact CD1-CD1 4.47Å; L58-I74 HydrophobicContact CD2-CD1 3.96Å; L58-I205 HydrophobicContact CB-CB 4.08Å; L58-I205 WeakPolarHBondContact CB-O 3.49Å; L58-I205 HydrophobicContact CD1-CD1 4.5Å; L58-I205 HydrophobicContact CD2-CD1 4.18Å; L58-I205 HydrophobicContact CD2-CG1 4.41Å; L58-A206 HydrophobicContact CD2-CB 4.19Å; L58-L238 HydrophobicContact CD2-CD2 3.68Å; L58-L238 HydrophobicContact CG-CD2 4.12Å
59	R	97.7	Very high	82.9	Confident	105 Å²	105	86.2 Å²	86.2	40%	0.396	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-117.9	145.4	174.8	-59.1	-57.2	-168.8	-159.3	-1.9	111.1	E56 G57 F65 S66	E56-R59 HydrophobicContact CG-CG 3.86Å; E56-R59 IonicContact OE1-CZ 2.76Å; E56-R59 IonicContact OE1-NE 3.72Å; E56-R59 PolarHBondContact OE1-NE 3.32Å; E56-R59 IonicContact OE1-NH2 3.48Å; E56-R59 PolarHBondContact OE1-NH2 3.17Å; G57-R59 PolarHBondContact O-N 2.7Å; R59-F65 WeakPolarHBondContact O-CA 3.25Å; R59-S66 PolarHBondContact N-O 3.03Å; R59-S66 PolarHBondContact O-N 3.22Å
60	A	97.1	Very high	85.6	Confident	9 Å²	9	81.7 Å²	81.7	7%	0.074	41%	0.405	C	S	.	.			trans	-124.9	47.9	174.9	0	0	0	0	0	109.7	F65 L238 L257 K280 P281	A60-F65 HydrophobicContact CB-CD1 4.19Å; A60-F65 HydrophobicContact CB-CE1 4.06Å; A60-L238 HydrophobicContact CB-CD1 4.09Å; A60-L238 HydrophobicContact CB-CD2 4.03Å; A60-L257 HydrophobicContact CB-CD1 4.04Å; A60-L257 HydrophobicContact CB-CD2 4.11Å; A60-K280 WeakPolarHBondContact O-CD 3.2Å; A60-K280 WeakPolarHBondContact O-CE 3.25Å; A60-K280 PolarHBondContact O-NZ 2.66Å; A60-P281 HydrophobicContact CB-CG 3.56Å
61	N	92.9	Very high	88.3	Confident	111 Å²	111	82 Å²	82	59%	0.594	40%	0.4	S	S	*	.	S	Bend	trans	-100.6	5.1	-178.8	61.5	-2.1	0	0	0	113.3
62	S	93.5	Very high	90.8	Very high	50 Å²	50	72.2 Å²	72.2	35%	0.35	36%	0.364	S	S	.	.	S	Bend	trans	-138.5	178.7	175.9	87.9	0	0	0	0	110.3	Q64 Q279 K280 P281	S62-Q64 PolarHBondContact O-N 2.84Å; S62-Q64 VanDerWaalsContact O-N 3.11Å; S62-Q64 PolarHBondContact OG-N 3.35Å; S62-Q64 VanDerWaalsContact OG-N 3.14Å; S62-Q64 PolarHBondContact OG-O 2.93Å; S62-Q279 CarbonylContact C-O 3.52Å; S62-Q279 WeakPolarHBondContact CA-O 3.35Å; S62-Q279 VanDerWaalsContact O-O 3.06Å; S62-K280 CarbonylContact O-C 3.54Å; S62-P281 WeakPolarHBondContact O-CD 3.15Å; S62-P281 VanDerWaalsContact O-N 3.12Å
63	S	92.7	Very high	93	Very high	85 Å²	85	67.4 Å²	67.4	59%	0.594	34%	0.337	S	S	*	.	S	Bend	trans	-66.5	-7	174.8	56.5	0	0	0	0	114.2	Q279 P281	S63-Q279 PolarHBondContact N-O 3.2Å; S63-P281 WeakPolarHBondContact O-CA 3.32Å
64	Q	94.6	Very high	94.6	Very high	83 Å²	83	58.3 Å²	58.3	39%	0.388	30%	0.297	S	S	.	.	S	Bend	trans	-126.6	150.8	172.5	-65	-176.3	-15.2	0	0	110.2	S62	S62-Q64 PolarHBondContact O-N 2.84Å; S62-Q64 VanDerWaalsContact O-N 3.11Å; S62-Q64 PolarHBondContact OG-N 3.35Å; S62-Q64 VanDerWaalsContact OG-N 3.14Å; S62-Q64 PolarHBondContact OG-O 2.93Å
65	F	98.2	Very high	95.4	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.9	168.8	-69.4	-79.6	0	0	0	109.4	L58 R59 A60 F72 I74 L238 L257 P281 M283 S320	L58-F65 HydrophobicContact CD1-CB 3.9Å; L58-F65 HydrophobicContact CD1-CD1 3.91Å; L58-F65 HydrophobicContact CD1-CG 4.18Å; L58-F65 HydrophobicContact CD2-CD1 4.06Å; L58-F65 HydrophobicContact CD2-CE1 4.21Å; L58-F65 HydrophobicContact CG-CD1 3.98Å; R59-F65 WeakPolarHBondContact O-CA 3.25Å; A60-F65 HydrophobicContact CB-CD1 4.19Å; A60-F65 HydrophobicContact CB-CE1 4.06Å; F65-F72 WeakPolarHBondContact CB-O 3.38Å; F65-F72 PolarHBondContact O-N 3.33Å; F65-I74 HydrophobicContact CD1-CD1 4.47Å; F65-I74 HydrophobicContact CD2-CD1 4.13Å; F65-I74 HydrophobicContact CE1-CD1 4.35Å; F65-I74 HydrophobicContact CE2-CD1 4.03Å; F65-I74 HydrophobicContact CG-CD1 4.35Å; F65-I74 HydrophobicContact CZ-CD1 4.14Å; F65-L238 HydrophobicContact CD1-CD2 4.39Å; F65-L238 HydrophobicContact CE1-CD2 3.85Å; F65-L257 HydrophobicContact CE1-CD2 3.5Å; F65-L257 HydrophobicContact CZ-CD2 3.45Å; F65-L257 VanDerWaalsContact CZ-CD2 3.45Å; F65-P281 HydrophobicContact CD1-CB 4.19Å; F65-P281 HydrophobicContact CD1-CG 3.6Å; F65-P281 HydrophobicContact CD2-CB 3.61Å; F65-P281 HydrophobicContact CD2-CG 3.94Å; F65-P281 HydrophobicContact CE1-CB 4.26Å; F65-P281 HydrophobicContact CE1-CG 3.52Å; F65-P281 HydrophobicContact CE2-CB 3.67Å; F65-P281 HydrophobicContact CE2-CG 3.86Å; F65-P281 HydrophobicContact CG-CB 3.88Å; F65-P281 HydrophobicContact CG-CG 3.82Å; F65-P281 HydrophobicContact CZ-CB 4.01Å; F65-P281 HydrophobicContact CZ-CG 3.65Å; F65-M283 HydrophobicContact CE2-CB 4.13Å; F65-M283 HydrophobicContact CZ-CB 4.24Å; F65-M283 HydrophobicContact CZ-SD 4.38Å; F65-S320 WeakPolarHBondContact CD2-OG 3.27Å
66	S	97.6	Very high	96	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	164.9	62.3	0	0	0	0	110.9	L58 R59 Q70	L58-S66 CarbonylContact C-O 3.47Å; L58-S66 WeakPolarHBondContact CA-O 3.41Å; R59-S66 PolarHBondContact N-O 3.03Å; R59-S66 PolarHBondContact O-N 3.22Å; S66-Q70 CarbonylContact C-O 3.54Å; S66-Q70 WeakPolarHBondContact CA-O 3.3Å; S66-Q70 WeakPolarHBondContact CB-O 3.47Å
67	L	96.8	Very high	96.3	Very high	11 Å²	11	47 Å²	47	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.5	173	-178.7	62.9	0	0	0	106.3	L58 K69 Q70 F72 W141 Y198 I205	L58-L67 HydrophobicContact CB-CD1 4.39Å; L58-L67 HydrophobicContact CD1-CB 4.41Å; L67-K69 PolarHBondContact O-N 3.31Å; L67-Q70 PolarHBondContact N-O 2.66Å; L67-Q70 PolarHBondContact O-N 3.03Å; L67-F72 HydrophobicContact CB-CB 3.82Å; L67-F72 HydrophobicContact CB-CD1 4.14Å; L67-F72 HydrophobicContact CB-CD2 4.29Å; L67-F72 HydrophobicContact CB-CG 3.82Å; L67-F72 HydrophobicContact CD2-CD1 4.35Å; L67-F72 HydrophobicContact CD2-CD2 4.25Å; L67-F72 HydrophobicContact CD2-CE1 4.28Å; L67-F72 HydrophobicContact CD2-CE2 4.22Å; L67-F72 HydrophobicContact CD2-CG 4.33Å; L67-F72 HydrophobicContact CD2-CZ 4.25Å; L67-W141 HydrophobicContact CD2-CD2 4.09Å; L67-W141 VanDerWaalsContact CD2-CE2 3.46Å; L67-W141 HydrophobicContact CD2-CG 4.49Å; L67-W141 HydrophobicContact CD2-CH2 4.37Å; L67-W141 HydrophobicContact CD2-CZ2 3.63Å; L67-Y198 HydrophobicContact CD1-CD2 4.42Å; L67-Y198 HydrophobicContact CD1-CE2 4.13Å; L67-I205 HydrophobicContact CD1-CG2 4.32Å
68	E	95	Very high	96.5	Very high	44 Å²	44	46.6 Å²	46.6	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.4	-172.4	-57.7	-77.7	-142.9	0	0	113.3	R54 V55 E56 Q70 Y198	R54-E68 WeakPolarHBondContact CA-OE1 3.5Å; V55-E68 WeakPolarHBondContact CA-OE2 3.39Å; V55-E68 WeakPolarHBondContact CB-OE2 3.17Å; V55-E68 PolarHBondContact N-OE2 2.71Å; E56-E68 PolarHBondContact N-OE2 3.15Å; E56-E68 WeakPolarHBondContact O-CA 3.34Å; E56-E68 PolarHBondContact O-N 2.93Å; E68-Q70 PolarHBondContact O-N 3.48Å; E68-Q70 VanDerWaalsContact O-N 3.11Å; E68-Y198 PolarHBondContact OE1-OH 2.84Å; E68-Y198 PolarHBondContact OE2-OH 2.84Å
69	K	94.2	Very high	96.5	Very high	133 Å²	133	46.5 Å²	46.5	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	10.7	-174.3	-55.6	176.9	175.3	177.1	0	114.8	V55 E56 L67	V55-K69 HydrophobicContact CG1-CD 4.04Å; E56-K69 HydrophobicContact CB-CG 4.23Å; E56-K69 WeakPolarHBondContact OE2-CG 3.4Å; L67-K69 PolarHBondContact O-N 3.31Å
70	Q	94.6	Very high	96.6	Very high	127 Å²	127	41.6 Å²	41.6	59%	0.593	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.4	175.8	-61.5	-54.6	-47.1	0	0	110.4	S66 L67 E68 F72	S66-Q70 CarbonylContact C-O 3.54Å; S66-Q70 WeakPolarHBondContact CA-O 3.3Å; S66-Q70 WeakPolarHBondContact CB-O 3.47Å; L67-Q70 PolarHBondContact N-O 2.66Å; L67-Q70 PolarHBondContact O-N 3.03Å; E68-Q70 PolarHBondContact O-N 3.48Å; E68-Q70 VanDerWaalsContact O-N 3.11Å; Q70-F72 PolarHBondContact O-N 3.14Å
71	P	95.6	Very high	96.7	Very high	94 Å²	94	41.1 Å²	41.1	61%	0.61	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.2	130.1	171	-25.1	34.3	0	0	0	110.6
72	F	96.8	Very high	96.9	Very high	39 Å²	39	36.6 Å²	36.6	17%	0.171	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.7	-177.3	-175.1	-113.4	0	0	0	109.4	L58 F65 L67 Q70 I74 W141 I205	L58-F72 HydrophobicContact CD1-CD1 3.65Å; L58-F72 HydrophobicContact CD1-CE1 4.24Å; F65-F72 WeakPolarHBondContact CB-O 3.38Å; F65-F72 PolarHBondContact O-N 3.33Å; L67-F72 HydrophobicContact CB-CB 3.82Å; L67-F72 HydrophobicContact CB-CD1 4.14Å; L67-F72 HydrophobicContact CB-CD2 4.29Å; L67-F72 HydrophobicContact CB-CG 3.82Å; L67-F72 HydrophobicContact CD2-CD1 4.35Å; L67-F72 HydrophobicContact CD2-CD2 4.25Å; L67-F72 HydrophobicContact CD2-CE1 4.28Å; L67-F72 HydrophobicContact CD2-CE2 4.22Å; L67-F72 HydrophobicContact CD2-CG 4.33Å; L67-F72 HydrophobicContact CD2-CZ 4.25Å; Q70-F72 PolarHBondContact O-N 3.14Å; F72-I74 HydrophobicContact CD1-CG1 3.92Å; F72-I74 HydrophobicContact CE1-CB 4.5Å; F72-I74 HydrophobicContact CE1-CD1 4.5Å; F72-I74 HydrophobicContact CE1-CG1 3.47Å; F72-I74 VanDerWaalsContact CE1-CG1 3.47Å; F72-I74 HydrophobicContact CZ-CG1 4.43Å; F72-W141 AromaticContact CE2-NE1 3.98Å; F72-W141 AromaticContact CZ-CD1 3.54Å; F72-W141 HydrophobicContact CZ-CG 4.5Å; F72-W141 AromaticContact CZ-NE1 3.91Å; F72-I205 HydrophobicContact CE1-CD1 3.98Å
73	R	97.1	Very high	97.2	Very high	58 Å²	58	34.2 Å²	34.2	22%	0.219	18%	0.175	C	C	.	.			trans	-117.6	121.8	172.9	-175.3	174.5	-61.5	-154.2	-1.9	108.1	L75 N102 L315 N318 Y379	R73-L75 HydrophobicContact CG-CD2 4.24Å; R73-L75 PolarHBondContact O-N 3.4Å; R73-N102 PolarHBondContact O-ND2 3.33Å; R73-L315 PolarHBondContact NH1-O 3.03Å; R73-N318 PolarHBondContact NH2-OD1 2.91Å; R73-Y379 VanDerWaalsContact NH1-CE1 3.27Å
74	I	98.6	Very high	97.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.			trans	-77.5	115.4	174.3	-65	157.4	0	0	0	107.1	L58 F65 F72 T103 I143 M283 S320 I321	L58-I74 HydrophobicContact CD1-CD1 4.47Å; L58-I74 HydrophobicContact CD2-CD1 3.96Å; F65-I74 HydrophobicContact CD1-CD1 4.47Å; F65-I74 HydrophobicContact CD2-CD1 4.13Å; F65-I74 HydrophobicContact CE1-CD1 4.35Å; F65-I74 HydrophobicContact CE2-CD1 4.03Å; F65-I74 HydrophobicContact CG-CD1 4.35Å; F65-I74 HydrophobicContact CZ-CD1 4.14Å; F72-I74 HydrophobicContact CD1-CG1 3.92Å; F72-I74 HydrophobicContact CE1-CB 4.5Å; F72-I74 HydrophobicContact CE1-CD1 4.5Å; F72-I74 HydrophobicContact CE1-CG1 3.47Å; F72-I74 VanDerWaalsContact CE1-CG1 3.47Å; F72-I74 HydrophobicContact CZ-CG1 4.43Å; I74-T103 HydrophobicContact CG2-CG2 4.14Å; I74-I143 HydrophobicContact CD1-CD1 4.27Å; I74-I143 HydrophobicContact CG2-CD1 4.17Å; I74-M283 HydrophobicContact CD1-SD 4.01Å; I74-M283 HydrophobicContact CG2-CE 3.82Å; I74-M283 HydrophobicContact CG2-SD 4.45Å; I74-S320 PolarHBondContact N-OG 3.23Å; I74-S320 VanDerWaalsContact N-OG 3.09Å; I74-S320 WeakPolarHBondContact O-CA 3.34Å; I74-S320 WeakPolarHBondContact O-CB 3.46Å; I74-I321 PolarHBondContact O-N 3.11Å; I74-I321 VanDerWaalsContact O-N 3.11Å
75	L	98.8	Very high	97.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	95.4	163.5	-59.6	179.5	0	0	0	104.7	R73 I101 N102 T103 L315 I321 F376	R73-L75 HydrophobicContact CG-CD2 4.24Å; R73-L75 PolarHBondContact O-N 3.4Å; L75-I101 VanDerWaalsContact O-CG2 3.28Å; L75-I101 WeakPolarHBondContact O-CG2 3.17Å; L75-N102 PolarHBondContact N-OD1 2.98Å; L75-N102 PolarHBondContact O-N 2.87Å; L75-N102 PolarHBondContact O-OD1 2.85Å; L75-N102 VanDerWaalsContact O-OD1 3.1Å; L75-T103 PolarHBondContact O-N 3.36Å; L75-L315 HydrophobicContact CD2-CD2 3.79Å; L75-I321 HydrophobicContact CD2-CG2 4.21Å; L75-F376 HydrophobicContact CD1-CB 4.36Å; L75-F376 HydrophobicContact CD1-CD1 4.06Å; L75-F376 HydrophobicContact CD1-CG 4.17Å; L75-F376 HydrophobicContact CD2-CD1 4.26Å; L75-F376 HydrophobicContact CD2-CE1 4.04Å
76	G	98.7	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	153.3	-169.9	0	0	0	0	0	113.3	T103 I321 N322 M323	G76-T103 CarbonylContact C-O 3.55Å; G76-T103 WeakPolarHBondContact CA-O 3.45Å; G76-I321 WeakPolarHBondContact CA-O 3.27Å; G76-I321 PolarHBondContact N-O 2.56Å; G76-N322 WeakPolarHBondContact CA-OD1 3.15Å; G76-N322 WeakPolarHBondContact O-CA 3.4Å; G76-M323 WeakPolarHBondContact O-CG 3.33Å; G76-M323 PolarHBondContact O-N 2.81Å
77	G	98.8	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.6	166.4	0	0	0	0	0	111.8	M96 T103 T105 N322	G77-M96 WeakPolarHBondContact O-CE 3.34Å; G77-T103 PolarHBondContact N-O 3.2Å; G77-T105 PolarHBondContact O-N 3.25Å; G77-N322 WeakPolarHBondContact CA-OD1 3.49Å; G77-N322 PolarHBondContact N-OD1 3.27Å
78	S	98.9	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.4	176.6	-53.1	0	0	0	0	110.6	T105 N322 M323 M325 F326 H327	S78-T105 WeakPolarHBondContact CA-O 3.32Å; S78-N322 PolarHBondContact OG-ND2 3.42Å; S78-M323 WeakPolarHBondContact CB-O 3.47Å; S78-M323 PolarHBondContact N-O 2.7Å; S78-M323 PolarHBondContact OG-O 3.31Å; S78-M325 WeakPolarHBondContact O-CE 3.34Å; S78-F326 PolarHBondContact O-N 2.88Å; S78-H327 PolarHBondContact O-N 3.31Å
79	V	98.9	Very high	97.9	Very high	2 Å²	2	33 Å²	33	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.1	172.1	-177	0	0	0	0	108.8	V84 R92 M96 L104 T105 T106 Y131 F326 H327	V79-V84 HydrophobicContact CG1-CG2 4.41Å; V79-R92 HydrophobicContact CG1-CB 4.45Å; V79-M96 HydrophobicContact CB-CE 4.07Å; V79-M96 HydrophobicContact CG2-CE 3.23Å; V79-L104 HydrophobicContact CB-CD1 3.97Å; V79-T105 PolarHBondContact N-O 3.25Å; V79-T105 VanDerWaalsContact N-O 3.12Å; V79-T106 WeakPolarHBondContact O-CB 3.41Å; V79-T106 PolarHBondContact O-OG1 2.89Å; V79-Y131 WeakPolarHBondContact CG1-OH 3.45Å; V79-Y131 PolarHBondContact O-OH 2.94Å; V79-F326 HydrophobicContact CG2-CB 4.34Å; V79-F326 HydrophobicContact CG2-CD1 4.04Å; V79-H327 HydrophobicContact CG1-CB 4.39Å; V79-H327 HydrophobicContact CG2-CB 3.85Å
80	H	98.8	Very high	98.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.			trans	-100.5	117.3	-174	-61.3	-19.6	0	0	0	110.3	F82 R83 Y107 Y324 M325	H80-F82 HydrophobicContact CB-CD1 4.08Å; H80-F82 HydrophobicContact CB-CD2 4.33Å; H80-F82 HydrophobicContact CB-CE1 3.67Å; H80-F82 HydrophobicContact CB-CE2 3.93Å; H80-F82 HydrophobicContact CB-CG 4.41Å; H80-F82 HydrophobicContact CB-CZ 3.6Å; H80-F82 AromaticContact CD2-CZ 3.86Å; H80-F82 AromaticContact CG-CZ 3.71Å; H80-F82 PolarHBondContact O-N 3.05Å; H80-R83 HydrophobicContact CB-CB 4.37Å; H80-R83 HydrophobicContact CB-CG 4.35Å; H80-R83 PolarHBondContact O-N 3.19Å; H80-Y107 AromaticContact CE1-CD2 3.44Å; H80-Y107 VanDerWaalsContact CE1-CD2 3.44Å; H80-Y107 WeakPolarHBondContact CE1-CD2 3.04Å; H80-Y107 AromaticContact NE2-CD2 3.48Å; H80-Y107 WeakPolarHBondContact NE2-CD2 3.42Å; H80-Y324 AromaticContact NE2-CE2 3.74Å; H80-M325 VanDerWaalsContact CD2-CE 3.42Å; H80-M325 WeakPolarHBondContact CD2-CE 3.49Å; H80-M325 VanDerWaalsContact NE2-CE 3.34Å; H80-M325 WeakPolarHBondContact NE2-CE 3.45Å
81	Y	98.8	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.1	-32.3	-176.8	59.2	-87.6	0	0	0	112.2	R83 V84 W89 T106 Y107 P109 H113 D125 L126 L128 Y131	Y81-R83 PolarHBondContact O-N 2.83Å; Y81-V84 PolarHBondContact O-N 3.3Å; Y81-W89 HydrophobicContact CD2-CZ2 4.31Å; Y81-W89 PolarHBondContact O-NE1 3.11Å; Y81-W89 VanDerWaalsContact O-NE1 3.12Å; Y81-T106 HydrophobicContact CD1-CG2 4.37Å; Y81-T106 HydrophobicContact CE1-CG2 4.39Å; Y81-Y107 WeakPolarHBondContact CE1-O 3.43Å; Y81-P109 WeakPolarHBondContact OH-CD 3.44Å; Y81-H113 AromaticContact CE2-NE2 3.93Å; Y81-H113 AromaticContact CZ-NE2 3.76Å; Y81-H113 PolarHBondContact OH-NE2 3.49Å; Y81-D125 WeakPolarHBondContact CD2-O 3.33Å; Y81-L126 HydrophobicContact CE2-CD2 4.22Å; Y81-L128 HydrophobicContact CD1-CD1 4.24Å; Y81-L128 HydrophobicContact CE1-CD1 3.72Å; Y81-Y131 AromaticContact CD1-CD1 3.78Å; Y81-Y131 HydrophobicContact CD1-CD1 3.78Å; Y81-Y131 AromaticContact CD1-CE1 3.97Å; Y81-Y131 HydrophobicContact CD1-CE1 3.97Å; Y81-Y131 HydrophobicContact CD1-CG 4.46Å; Y81-Y131 HydrophobicContact CG-CD1 4.11Å; Y81-Y131 HydrophobicContact CG-CE1 4.4Å; Y81-Y131 HydrophobicContact CG-CG 4.35Å
82	F	98.6	Very high	98.4	Very high	15 Å²	15	22.4 Å²	22.4	7%	0.066	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-73.8	-5.3	177.7	56.1	-95.5	0	0	0	114.7	H80 P109 L112 L126 I150 W154	H80-F82 HydrophobicContact CB-CD1 4.08Å; H80-F82 HydrophobicContact CB-CD2 4.33Å; H80-F82 HydrophobicContact CB-CE1 3.67Å; H80-F82 HydrophobicContact CB-CE2 3.93Å; H80-F82 HydrophobicContact CB-CG 4.41Å; H80-F82 HydrophobicContact CB-CZ 3.6Å; H80-F82 AromaticContact CD2-CZ 3.86Å; H80-F82 AromaticContact CG-CZ 3.71Å; H80-F82 PolarHBondContact O-N 3.05Å; F82-P109 HydrophobicContact CB-CG 3.9Å; F82-P109 HydrophobicContact CD1-CB 4.22Å; F82-P109 VanDerWaalsContact CD1-CD 3.44Å; F82-P109 HydrophobicContact CD1-CG 3.47Å; F82-P109 VanDerWaalsContact CD1-CG 3.47Å; F82-P109 HydrophobicContact CD2-CG 4.33Å; F82-P109 HydrophobicContact CE1-CB 4.33Å; F82-P109 HydrophobicContact CE1-CG 3.98Å; F82-P109 HydrophobicContact CG-CB 4.3Å; F82-P109 HydrophobicContact CG-CG 3.66Å; F82-L112 HydrophobicContact CB-CD1 4.14Å; F82-L126 HydrophobicContact CB-CD2 4.46Å; F82-I150 HydrophobicContact CZ-CD1 4.07Å; F82-W154 HydrophobicContact CD2-CD2 4.18Å; F82-W154 AromaticContact CD2-CE3 3.96Å; F82-W154 HydrophobicContact CD2-CE3 3.96Å; F82-W154 AromaticContact CD2-CH2 3.52Å; F82-W154 HydrophobicContact CD2-CH2 3.52Å; F82-W154 AromaticContact CD2-CZ2 3.77Å; F82-W154 HydrophobicContact CD2-CZ2 3.77Å; F82-W154 AromaticContact CD2-CZ3 3.64Å; F82-W154 HydrophobicContact CD2-CZ3 3.64Å; F82-W154 AromaticContact CE2-CD2 3.91Å; F82-W154 HydrophobicContact CE2-CD2 3.91Å; F82-W154 AromaticContact CE2-CE3 3.77Å; F82-W154 HydrophobicContact CE2-CE3 3.77Å; F82-W154 HydrophobicContact CE2-CH2 4.2Å; F82-W154 HydrophobicContact CE2-CZ2 4.34Å; F82-W154 AromaticContact CE2-CZ3 3.93Å; F82-W154 HydrophobicContact CE2-CZ3 3.93Å; F82-W154 HydrophobicContact CG-CH2 4.48Å
83	R	98.8	Very high	98.5	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-106.2	-0.2	172.9	-72.4	-172.8	162.9	136.4	-2.4	113.4	H80 Y81 A152 E153 W154 G328 T330 N331 Y353	H80-R83 HydrophobicContact CB-CB 4.37Å; H80-R83 HydrophobicContact CB-CG 4.35Å; H80-R83 PolarHBondContact O-N 3.19Å; Y81-R83 PolarHBondContact O-N 2.83Å; R83-A152 VanDerWaalsContact CZ-O 3.3Å; R83-A152 PolarHBondContact NH1-O 3.14Å; R83-A152 PolarHBondContact NH2-O 2.94Å; R83-E153 PolarHBondContact NH2-O 3.33Å; R83-W154 HydrophobicContact CG-CE3 4.49Å; R83-W154 HydrophobicContact CG-CZ3 3.88Å; R83-G328 WeakPolarHBondContact CB-O 3.21Å; R83-G328 WeakPolarHBondContact CD-O 3.42Å; R83-T330 WeakPolarHBondContact CA-O 3.38Å; R83-T330 PolarHBondContact O-N 3.37Å; R83-T330 VanDerWaalsContact O-N 3.14Å; R83-N331 PolarHBondContact NE-OD1 3.36Å; R83-N331 PolarHBondContact NH2-OD1 3.5Å; R83-Y353 PolarHBondContact NH1-OH 3.5Å
84	V	98.7	Very high	98.6	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.036	10%	0.102	C	C	.	.	S	Bend	trans	-133.3	125.7	-174.3	-177.9	0	0	0	0	108.7	V79 Y81 R86 W89 R92 H327	V79-V84 HydrophobicContact CG1-CG2 4.41Å; Y81-V84 PolarHBondContact O-N 3.3Å; V84-R86 PolarHBondContact O-N 3.02Å; V84-W89 PolarHBondContact O-NE1 3.34Å; V84-R92 HydrophobicContact CG1-CG 3.77Å; V84-H327 WeakPolarHBondContact CG2-NE2 3.45Å
85	P	98	Very high	98.6	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.026	10%	0.102	C	C	.	.			trans	-54.8	138.9	174.9	-25.5	34.9	0	0	0	111.6	T87 Y88 F332 P612 W615	P85-T87 PolarHBondContact O-N 2.73Å; P85-Y88 HydrophobicContact CG-CD2 4.44Å; P85-Y88 WeakPolarHBondContact O-CA 3.37Å; P85-Y88 WeakPolarHBondContact O-CB 3.41Å; P85-Y88 PolarHBondContact O-N 2.81Å; P85-F332 HydrophobicContact CG-CE2 4.29Å; P85-F332 HydrophobicContact CG-CZ 4.38Å; P85-P612 HydrophobicContact CG-CB 3.79Å; P85-P612 HydrophobicContact CG-CG 3.63Å; P85-W615 HydrophobicContact CG-CZ2 4.21Å
86	R	98.1	Very high	98.6	Very high	82 Å²	82	20.7 Å²	20.7	31%	0.309	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-49.2	-40.7	-175.9	173.7	175.8	-169.1	140.1	0.3	114.3	V84 Y88 W89 D124 D125 D127	V84-R86 PolarHBondContact O-N 3.02Å; R86-Y88 PolarHBondContact O-N 3.22Å; R86-W89 VanDerWaalsContact CA-CE2 3.5Å; R86-W89 HydrophobicContact CB-CD2 4.2Å; R86-W89 HydrophobicContact CB-CE3 4.23Å; R86-W89 HydrophobicContact CB-CH2 3.98Å; R86-W89 HydrophobicContact CB-CZ2 3.93Å; R86-W89 HydrophobicContact CB-CZ3 4.13Å; R86-W89 HydrophobicContact CG-CD2 4.17Å; R86-W89 HydrophobicContact CG-CE3 3.72Å; R86-W89 HydrophobicContact CG-CH2 3.92Å; R86-W89 HydrophobicContact CG-CZ2 4.32Å; R86-W89 HydrophobicContact CG-CZ3 3.61Å; R86-W89 PolarHBondContact O-N 3.2Å; R86-W89 VanDerWaalsContact O-N 3.16Å; R86-D124 WeakPolarHBondContact CD-O 3.02Å; R86-D124 PolarHBondContact NH1-O 3.14Å; R86-D125 VanDerWaalsContact CB-OD1 3.24Å; R86-D125 WeakPolarHBondContact CB-OD1 3.46Å; R86-D125 PolarHBondContact N-OD1 3.43Å; R86-D127 IonicContact CZ-OD2 2.83Å; R86-D127 VanDerWaalsContact CZ-OD2 3.26Å; R86-D127 IonicContact NH1-OD2 2.74Å; R86-D127 PolarHBondContact NH1-OD2 3.13Å; R86-D127 IonicContact NH2-OD2 2.68Å; R86-D127 PolarHBondContact NH2-OD2 3.18Å
87	T	97.6	Very high	98.6	Very high	96 Å²	96	23.6 Å²	23.6	59%	0.589	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-59.8	-16.1	178.3	48.8	0	0	0	0	113.8	P85 P614	P85-T87 PolarHBondContact O-N 2.73Å; T87-P614 HydrophobicContact CG2-CB 4.2Å; T87-P614 WeakPolarHBondContact OG1-CB 3.16Å; T87-P614 WeakPolarHBondContact OG1-CG 3.34Å
88	Y	98.5	Very high	98.6	Very high	29 Å²	29	23.7 Å²	23.7	11%	0.114	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-107.7	-8.3	-178.9	-72.9	-20.1	0	0	0	114.3	P85 R86 E90 D91 R92 Q391 D577 Y610 P612 P614	P85-Y88 HydrophobicContact CG-CD2 4.44Å; P85-Y88 WeakPolarHBondContact O-CA 3.37Å; P85-Y88 WeakPolarHBondContact O-CB 3.41Å; P85-Y88 PolarHBondContact O-N 2.81Å; R86-Y88 PolarHBondContact O-N 3.22Å; Y88-E90 VanDerWaalsContact C-N 3.33Å; Y88-E90 PolarHBondContact O-N 3.5Å; Y88-D91 PolarHBondContact O-N 3.04Å; Y88-D91 VanDerWaalsContact O-N 3.13Å; Y88-R92 WeakPolarHBondContact O-CG 3.45Å; Y88-R92 PolarHBondContact O-N 2.89Å; Y88-Q391 VanDerWaalsContact CE1-NE2 3.3Å; Y88-D577 WeakPolarHBondContact CE2-OD1 3.43Å; Y88-D577 PolarHBondContact OH-OD1 3.15Å; Y88-Y610 WeakPolarHBondContact CE2-OH 3.23Å; Y88-P612 HydrophobicContact CE2-CB 4.21Å; Y88-P614 HydrophobicContact CD1-CG 4.26Å; Y88-P614 HydrophobicContact CD2-CG 4.43Å; Y88-P614 HydrophobicContact CE1-CG 3.7Å; Y88-P614 HydrophobicContact CE2-CG 3.92Å; Y88-P614 WeakPolarHBondContact OH-CD 3.47Å
89	W	98.8	Very high	98.5	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-52.8	-49	179	-67.8	-14.6	0	0	0	112.8	Y81 V84 R86 D91 R92 L93 D124 D125 D127 A130 Y131 I134	Y81-W89 HydrophobicContact CD2-CZ2 4.31Å; Y81-W89 PolarHBondContact O-NE1 3.11Å; Y81-W89 VanDerWaalsContact O-NE1 3.12Å; V84-W89 PolarHBondContact O-NE1 3.34Å; R86-W89 VanDerWaalsContact CA-CE2 3.5Å; R86-W89 HydrophobicContact CB-CD2 4.2Å; R86-W89 HydrophobicContact CB-CE3 4.23Å; R86-W89 HydrophobicContact CB-CH2 3.98Å; R86-W89 HydrophobicContact CB-CZ2 3.93Å; R86-W89 HydrophobicContact CB-CZ3 4.13Å; R86-W89 HydrophobicContact CG-CD2 4.17Å; R86-W89 HydrophobicContact CG-CE3 3.72Å; R86-W89 HydrophobicContact CG-CH2 3.92Å; R86-W89 HydrophobicContact CG-CZ2 4.32Å; R86-W89 HydrophobicContact CG-CZ3 3.61Å; R86-W89 PolarHBondContact O-N 3.2Å; R86-W89 VanDerWaalsContact O-N 3.16Å; W89-D91 VanDerWaalsContact C-N 3.34Å; W89-D91 PolarHBondContact O-N 2.92Å; W89-R92 PolarHBondContact O-N 2.86Å; W89-L93 WeakPolarHBondContact O-CB 3.22Å; W89-L93 VanDerWaalsContact O-CG 3.3Å; W89-L93 WeakPolarHBondContact O-CG 3.39Å; W89-L93 PolarHBondContact O-N 2.93Å; W89-D124 WeakPolarHBondContact CH2-O 3.23Å; W89-D125 WeakPolarHBondContact CZ2-O 3.48Å; W89-D127 HydrophobicContact CH2-CB 4.48Å; W89-A130 HydrophobicContact CZ3-CB 4.32Å; W89-Y131 HydrophobicContact CB-CD2 3.87Å; W89-Y131 HydrophobicContact CB-CE2 3.92Å; W89-Y131 AromaticContact CD2-CD2 3.55Å; W89-Y131 HydrophobicContact CD2-CD2 3.55Å; W89-Y131 HydrophobicContact CD2-CE2 4.19Å; W89-Y131 HydrophobicContact CD2-CG 4.41Å; W89-Y131 AromaticContact CE3-CD2 3.79Å; W89-Y131 HydrophobicContact CE3-CD2 3.79Å; W89-Y131 HydrophobicContact CE3-CG 4.37Å; W89-Y131 AromaticContact CG-CD2 3.6Å; W89-Y131 HydrophobicContact CG-CD2 3.6Å; W89-Y131 AromaticContact CG-CE2 3.78Å; W89-Y131 HydrophobicContact CG-CE2 3.78Å; W89-I134 HydrophobicContact CB-CD1 4.09Å; W89-I134 HydrophobicContact CE3-CD1 4.06Å
90	E	98.5	Very high	98.5	Very high	104 Å²	104	23.7 Å²	23.7	49%	0.486	12%	0.115	S	C	.	.	H	α-helix	trans	-61.2	-42.1	-179.9	-175.3	173.3	-161	0	0	112.1	Y88 L93 L94 I134	Y88-E90 VanDerWaalsContact C-N 3.33Å; Y88-E90 PolarHBondContact O-N 3.5Å; E90-L93 PolarHBondContact O-N 3.29Å; E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.24Å; E90-L94 VanDerWaalsContact O-CB 3.25Å; E90-L94 WeakPolarHBondContact O-CB 3.47Å; E90-L94 VanDerWaalsContact O-CG 3.25Å; E90-L94 WeakPolarHBondContact O-CG 3.13Å; E90-L94 PolarHBondContact O-N 3.2Å; E90-I134 HydrophobicContact CB-CG2 4.1Å; E90-I134 HydrophobicContact CG-CG2 4.34Å
91	D	98.4	Very high	98.5	Very high	25 Å²	25	23.6 Å²	23.6	13%	0.134	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-48.7	176	173.6	99.1	0	0	0	111.5	Y88 W89 L93 L94 K95 Q391	Y88-D91 PolarHBondContact O-N 3.04Å; Y88-D91 VanDerWaalsContact O-N 3.13Å; W89-D91 VanDerWaalsContact C-N 3.34Å; W89-D91 PolarHBondContact O-N 2.92Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.37Å; D91-L94 PolarHBondContact O-N 3.5Å; D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 3.35Å; D91-K95 WeakPolarHBondContact OD1-CE 3.26Å; D91-K95 IonicContact OD1-NZ 2.7Å; D91-K95 PolarHBondContact OD1-NZ 3.18Å; D91-K95 WeakPolarHBondContact OD2-CD 3.5Å; D91-K95 VanDerWaalsContact OD2-CE 3.26Å; D91-K95 WeakPolarHBondContact OD2-CE 3.4Å; D91-K95 IonicContact OD2-NZ 3.14Å; D91-K95 PolarHBondContact OD2-NZ 2.78Å; D91-Q391 PolarHBondContact OD1-NE2 2.92Å
92	R	98.7	Very high	98.5	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-41.2	-178.2	-51.9	-42.3	177.9	-116.4	8.6	111.3	V79 V84 Y88 W89 K95 M96 A362	V79-R92 HydrophobicContact CG1-CB 4.45Å; V84-R92 HydrophobicContact CG1-CG 3.77Å; Y88-R92 WeakPolarHBondContact O-CG 3.45Å; Y88-R92 PolarHBondContact O-N 2.89Å; W89-R92 PolarHBondContact O-N 2.86Å; R92-K95 PolarHBondContact O-N 3.08Å; R92-M96 PolarHBondContact O-N 3.4Å; R92-A362 PolarHBondContact NH2-O 2.9Å
93	L	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.7	-32.4	179.3	-64.1	-175.2	0	0	0	112.9	W89 E90 D91 M96 K97 L104 Y131 I134 A135 L138 L140	W89-L93 WeakPolarHBondContact O-CB 3.22Å; W89-L93 VanDerWaalsContact O-CG 3.3Å; W89-L93 WeakPolarHBondContact O-CG 3.39Å; W89-L93 PolarHBondContact O-N 2.93Å; E90-L93 PolarHBondContact O-N 3.29Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.37Å; L93-M96 HydrophobicContact CD2-CE 4.16Å; L93-M96 HydrophobicContact CD2-SD 4.18Å; L93-M96 WeakPolarHBondContact O-CB 3.38Å; L93-M96 PolarHBondContact O-N 3.27Å; L93-K97 WeakPolarHBondContact O-CB 3.2Å; L93-K97 PolarHBondContact O-N 2.92Å; L93-L104 HydrophobicContact CD1-CD2 4.19Å; L93-L104 HydrophobicContact CD2-CD1 3.77Å; L93-L104 HydrophobicContact CD2-CD2 3.87Å; L93-L104 HydrophobicContact CD2-CG 4.32Å; L93-Y131 HydrophobicContact CD1-CD2 4.25Å; L93-Y131 HydrophobicContact CD1-CE2 3.73Å; L93-Y131 HydrophobicContact CD2-CE2 4.41Å; L93-Y131 HydrophobicContact CG-CE2 4.2Å; L93-I134 HydrophobicContact CD1-CB 4.4Å; L93-I134 HydrophobicContact CD1-CG2 3.84Å; L93-A135 HydrophobicContact CD1-CB 4.36Å; L93-L138 HydrophobicContact CB-CD1 3.5Å; L93-L138 VanDerWaalsContact CB-CD1 3.5Å; L93-L140 HydrophobicContact CB-CD1 4.01Å; L93-L140 HydrophobicContact CD2-CD1 4.3Å
94	L	98.6	Very high	98.5	Very high	63 Å²	63	24 Å²	24	33%	0.33	12%	0.117	S	C	.	.	H	α-helix	trans	-64	-44	170.9	-82	169.7	0	0	0	111.2	E90 D91 M96 K97 A98 L138 P388	E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.24Å; E90-L94 VanDerWaalsContact O-CB 3.25Å; E90-L94 WeakPolarHBondContact O-CB 3.47Å; E90-L94 VanDerWaalsContact O-CG 3.25Å; E90-L94 WeakPolarHBondContact O-CG 3.13Å; E90-L94 PolarHBondContact O-N 3.2Å; D91-L94 PolarHBondContact O-N 3.5Å; L94-M96 VanDerWaalsContact C-N 3.34Å; L94-K97 PolarHBondContact O-N 3.25Å; L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 2.85Å; L94-L138 HydrophobicContact CD2-CD1 4.21Å; L94-L138 HydrophobicContact CD2-CD2 3.43Å; L94-L138 VanDerWaalsContact CD2-CD2 3.43Å; L94-L138 HydrophobicContact CD2-CG 4.4Å; L94-L138 HydrophobicContact CG-CD1 3.95Å; L94-L138 HydrophobicContact CG-CD2 3.9Å; L94-P388 HydrophobicContact CB-CG 3.83Å
95	K	98.8	Very high	98.5	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-41.3	174.8	-70.3	176.6	176.8	157.4	0	111.6	D91 R92 A98 C99 L359 G363 Y365 Y369 P388	D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 3.35Å; D91-K95 WeakPolarHBondContact OD1-CE 3.26Å; D91-K95 IonicContact OD1-NZ 2.7Å; D91-K95 PolarHBondContact OD1-NZ 3.18Å; D91-K95 WeakPolarHBondContact OD2-CD 3.5Å; D91-K95 VanDerWaalsContact OD2-CE 3.26Å; D91-K95 WeakPolarHBondContact OD2-CE 3.4Å; D91-K95 IonicContact OD2-NZ 3.14Å; D91-K95 PolarHBondContact OD2-NZ 2.78Å; R92-K95 PolarHBondContact O-N 3.08Å; K95-A98 PolarHBondContact O-N 3.28Å; K95-C99 PolarHBondContact O-N 3.47Å; K95-L359 HydrophobicContact CB-CD1 3.78Å; K95-L359 HydrophobicContact CB-CD2 4.45Å; K95-L359 HydrophobicContact CD-CD1 4.14Å; K95-L359 HydrophobicContact CD-CD2 4.29Å; K95-G363 PolarHBondContact NZ-O 3.1Å; K95-Y365 HydrophobicContact CB-CE1 4.08Å; K95-Y365 HydrophobicContact CD-CE1 3.85Å; K95-Y365 HydrophobicContact CG-CE1 3.71Å; K95-Y365 WeakPolarHBondContact CG-OH 3.26Å; K95-Y369 HydrophobicContact CB-CE2 4.46Å; K95-Y369 WeakPolarHBondContact O-CE2 3.48Å; K95-Y369 PolarHBondContact O-OH 2.74Å; K95-P388 HydrophobicContact CG-CB 4.24Å; K95-P388 HydrophobicContact CG-CG 4.04Å
96	M	98.6	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-51.8	171.4	176.5	-172.2	-73.8	0	0	111.8	G77 V79 R92 L93 L94 A98 C99 I101 L104 L140 F326	G77-M96 WeakPolarHBondContact O-CE 3.34Å; V79-M96 HydrophobicContact CB-CE 4.07Å; V79-M96 HydrophobicContact CG2-CE 3.23Å; R92-M96 PolarHBondContact O-N 3.4Å; L93-M96 HydrophobicContact CD2-CE 4.16Å; L93-M96 HydrophobicContact CD2-SD 4.18Å; L93-M96 WeakPolarHBondContact O-CB 3.38Å; L93-M96 PolarHBondContact O-N 3.27Å; L94-M96 VanDerWaalsContact C-N 3.34Å; M96-A98 VanDerWaalsContact C-N 3.31Å; M96-A98 PolarHBondContact O-N 2.91Å; M96-C99 VanDerWaalsContact O-CB 3.32Å; M96-C99 WeakPolarHBondContact O-CB 3.45Å; M96-C99 PolarHBondContact O-N 2.73Å; M96-I101 HydrophobicContact CG-CB 3.51Å; M96-I101 HydrophobicContact CG-CD1 4.02Å; M96-I101 HydrophobicContact CG-CG1 4.36Å; M96-I101 HydrophobicContact CG-CG2 3.29Å; M96-I101 WeakPolarHBondContact O-CB 3.43Å; M96-I101 PolarHBondContact O-N 3.06Å; M96-I101 HydrophobicContact SD-CB 4.5Å; M96-I101 HydrophobicContact SD-CG2 3.63Å; M96-L104 HydrophobicContact CE-CD1 3.7Å; M96-L104 HydrophobicContact SD-CB 4.1Å; M96-L104 HydrophobicContact SD-CD1 4.2Å; M96-L140 HydrophobicContact SD-CD1 3.96Å; M96-L140 HydrophobicContact SD-CD2 4.25Å; M96-F326 HydrophobicContact CB-CD1 4Å; M96-F326 HydrophobicContact CB-CE1 3.57Å; M96-F326 HydrophobicContact CB-CZ 4.25Å; M96-F326 HydrophobicContact CE-CD1 3.91Å; M96-F326 HydrophobicContact CE-CG 4.44Å; M96-F326 HydrophobicContact CG-CD1 4.22Å; M96-F326 HydrophobicContact CG-CE1 4.13Å
97	K	98.3	Very high	98.6	Very high	61 Å²	61	19.7 Å²	19.7	27%	0.265	10%	0.1	S	C	.	.	H	α-helix	trans	-60.4	-42.7	179.2	-174.7	63.8	174.9	-173.6	0	111.7	L93 L94 C99 G100 G139 L140	L93-K97 WeakPolarHBondContact O-CB 3.2Å; L93-K97 PolarHBondContact O-N 2.92Å; L94-K97 PolarHBondContact O-N 3.25Å; K97-C99 VanDerWaalsContact C-N 3.3Å; K97-C99 PolarHBondContact O-N 3.49Å; K97-G100 PolarHBondContact O-N 3.43Å; K97-G100 VanDerWaalsContact O-N 3.1Å; K97-G139 PolarHBondContact NZ-O 3.41Å; K97-L140 HydrophobicContact CB-CD2 4.29Å; K97-L140 HydrophobicContact CD-CD2 3.79Å; K97-L140 HydrophobicContact CD-CG 4.29Å
98	A	98.5	Very high	98.7	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	7%	0.072	C	C	.	.	H	α-helix	trans	-62.6	-37.1	175.4	0	0	0	0	0	111	L94 K95 M96 G100 R373 L387	L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 2.85Å; K95-A98 PolarHBondContact O-N 3.28Å; M96-A98 VanDerWaalsContact C-N 3.31Å; M96-A98 PolarHBondContact O-N 2.91Å; A98-G100 PolarHBondContact O-N 3.47Å; A98-R373 VanDerWaalsContact C-NH1 3.3Å; A98-R373 PolarHBondContact O-NH1 3.4Å; A98-L387 HydrophobicContact CB-CD2 4.19Å
99	C	98.7	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.2	-14.8	175.3	-159.9	0	0	0	0	113.8	K95 M96 K97 F326 Y369 R373	K95-C99 PolarHBondContact O-N 3.47Å; M96-C99 VanDerWaalsContact O-CB 3.32Å; M96-C99 WeakPolarHBondContact O-CB 3.45Å; M96-C99 PolarHBondContact O-N 2.73Å; K97-C99 VanDerWaalsContact C-N 3.3Å; K97-C99 PolarHBondContact O-N 3.49Å; C99-F326 HydrophobicContact CB-CE2 3.95Å; C99-F326 HydrophobicContact CB-CZ 3.79Å; C99-Y369 HydrophobicContact CB-CD2 4.14Å; C99-Y369 HydrophobicContact CB-CE2 3.54Å; C99-Y369 PolarHBondContact N-OH 3.31Å; C99-R373 WeakPolarHBondContact O-CA 3.44Å
100	G	98.3	Very high	98.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	14.4	-172.8	0	0	0	0	0	112.6	K97 A98 H380	K97-G100 PolarHBondContact O-N 3.43Å; K97-G100 VanDerWaalsContact O-N 3.1Å; A98-G100 PolarHBondContact O-N 3.47Å; G100-H380 PolarHBondContact O-CE1 3.11Å; G100-H380 PolarHBondContact O-NE2 2.72Å
101	I	98.5	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.			trans	-76.5	136	167.6	-71	173.8	0	0	0	108.4	L75 M96 T103 L140 F326 F376	L75-I101 VanDerWaalsContact O-CG2 3.28Å; L75-I101 WeakPolarHBondContact O-CG2 3.17Å; M96-I101 HydrophobicContact CG-CB 3.51Å; M96-I101 HydrophobicContact CG-CD1 4.02Å; M96-I101 HydrophobicContact CG-CG1 4.36Å; M96-I101 HydrophobicContact CG-CG2 3.29Å; M96-I101 WeakPolarHBondContact O-CB 3.43Å; M96-I101 PolarHBondContact O-N 3.06Å; M96-I101 HydrophobicContact SD-CB 4.5Å; M96-I101 HydrophobicContact SD-CG2 3.63Å; I101-T103 VanDerWaalsContact CG2-O 3.31Å; I101-T103 WeakPolarHBondContact CG2-O 3.34Å; I101-L140 WeakPolarHBondContact O-CD2 3.31Å; I101-F326 HydrophobicContact CD1-CB 4.34Å; I101-F326 HydrophobicContact CD1-CD1 4.3Å; I101-F326 HydrophobicContact CD1-CD2 3.17Å; I101-F326 HydrophobicContact CD1-CE1 4.47Å; I101-F326 HydrophobicContact CD1-CE2 3.38Å; I101-F326 HydrophobicContact CD1-CG 3.66Å; I101-F326 HydrophobicContact CD1-CZ 4.04Å; I101-F376 HydrophobicContact CG1-CD2 4.37Å; I101-F376 HydrophobicContact CG1-CE2 4Å
102	N	98.6	Very high	98.7	Very high	23 Å²	23	9.5 Å²	9.5	12%	0.123	5%	0.047	C	C	.	.			trans	-110.2	-12.9	-178	65.6	25.9	0	0	0	113.2	R73 L75 W141	R73-N102 PolarHBondContact O-ND2 3.33Å; L75-N102 PolarHBondContact N-OD1 2.98Å; L75-N102 PolarHBondContact O-N 2.87Å; L75-N102 PolarHBondContact O-OD1 2.85Å; L75-N102 VanDerWaalsContact O-OD1 3.1Å; N102-W141 PolarHBondContact O-N 2.84Å
103	T	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.6	-175.1	-53.2	0	0	0	0	110.4	I74 L75 G76 G77 I101 W141 I143 I205	I74-T103 HydrophobicContact CG2-CG2 4.14Å; L75-T103 PolarHBondContact O-N 3.36Å; G76-T103 CarbonylContact C-O 3.55Å; G76-T103 WeakPolarHBondContact CA-O 3.45Å; G77-T103 PolarHBondContact N-O 3.2Å; I101-T103 VanDerWaalsContact CG2-O 3.31Å; I101-T103 WeakPolarHBondContact CG2-O 3.34Å; T103-W141 CarbonylContact C-O 3.5Å; T103-W141 WeakPolarHBondContact CA-O 3.3Å; T103-W141 HydrophobicContact CG2-CB 4.13Å; T103-I143 HydrophobicContact CG2-CD1 3.94Å; T103-I143 HydrophobicContact CG2-CG1 3.68Å; T103-I205 HydrophobicContact CG2-CD1 4.38Å
104	L	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	135.3	169.6	167.2	64.8	0	0	0	109.5	V79 L93 M96 Y131 A135 W141 V142 I143	V79-L104 HydrophobicContact CB-CD1 3.97Å; L93-L104 HydrophobicContact CD1-CD2 4.19Å; L93-L104 HydrophobicContact CD2-CD1 3.77Å; L93-L104 HydrophobicContact CD2-CD2 3.87Å; L93-L104 HydrophobicContact CD2-CG 4.32Å; M96-L104 HydrophobicContact CE-CD1 3.7Å; M96-L104 HydrophobicContact SD-CB 4.1Å; M96-L104 HydrophobicContact SD-CD1 4.2Å; L104-Y131 HydrophobicContact CD2-CD1 4.37Å; L104-Y131 HydrophobicContact CD2-CE1 3.65Å; L104-A135 HydrophobicContact CD2-CB 3.89Å; L104-W141 PolarHBondContact N-O 3.33Å; L104-V142 HydrophobicContact CB-CG2 4.36Å; L104-V142 HydrophobicContact CD2-CG2 4.31Å; L104-V142 CarbonylContact O-C 3.51Å; L104-V142 VanDerWaalsContact O-CA 3.27Å; L104-V142 WeakPolarHBondContact O-CA 3.3Å; L104-I143 PolarHBondContact O-N 3.3Å
105	T	98.9	Very high	98.5	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.1	167.6	-54.6	0	0	0	0	109.1	G77 S78 V79 I143 R145 M285 N322	G77-T105 PolarHBondContact O-N 3.25Å; S78-T105 WeakPolarHBondContact CA-O 3.32Å; V79-T105 PolarHBondContact N-O 3.25Å; V79-T105 VanDerWaalsContact N-O 3.12Å; T105-I143 WeakPolarHBondContact CA-O 3.28Å; T105-I143 HydrophobicContact CG2-CB 4.39Å; T105-I143 HydrophobicContact CG2-CG2 4.45Å; T105-R145 HydrophobicContact CG2-CG 4.01Å; T105-M285 HydrophobicContact CG2-SD 4.43Å; T105-N322 WeakPolarHBondContact CB-OD1 3.1Å; T105-N322 VanDerWaalsContact OG1-CG 3.23Å; T105-N322 PolarHBondContact OG1-OD1 3.12Å
106	T	98.9	Very high	98.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.8	178.2	-152.1	0	0	0	0	112.3	V79 Y81 Y131 I143 L144 R145	V79-T106 WeakPolarHBondContact O-CB 3.41Å; V79-T106 PolarHBondContact O-OG1 2.89Å; Y81-T106 HydrophobicContact CD1-CG2 4.37Å; Y81-T106 HydrophobicContact CE1-CG2 4.39Å; T106-Y131 HydrophobicContact CG2-CD1 4.41Å; T106-Y131 HydrophobicContact CG2-CE1 4.09Å; T106-I143 PolarHBondContact N-O 3.34Å; T106-L144 HydrophobicContact CG2-CD1 4.17Å; T106-R145 PolarHBondContact O-N 2.64Å
107	Y	98.9	Very high	98.3	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	167	172.7	-78.3	-58.6	0	0	0	111.9	H80 Y81 R145 I150 A152 N211 E286 Y324	H80-Y107 AromaticContact CE1-CD2 3.44Å; H80-Y107 VanDerWaalsContact CE1-CD2 3.44Å; H80-Y107 WeakPolarHBondContact CE1-CD2 3.04Å; H80-Y107 AromaticContact NE2-CD2 3.48Å; H80-Y107 WeakPolarHBondContact NE2-CD2 3.42Å; Y81-Y107 WeakPolarHBondContact CE1-O 3.43Å; Y107-R145 CarbonylContact C-O 3.57Å; Y107-R145 VanDerWaalsContact CA-O 3.27Å; Y107-R145 WeakPolarHBondContact CA-O 3.44Å; Y107-R145 HydrophobicContact CD1-CB 3.29Å; Y107-R145 HydrophobicContact CD1-CG 4.29Å; Y107-R145 WeakPolarHBondContact CD1-O 3.15Å; Y107-R145 HydrophobicContact CE1-CB 3.59Å; Y107-R145 HydrophobicContact CE1-CG 4.28Å; Y107-R145 VanDerWaalsContact CE1-CZ 3.47Å; Y107-R145 HydrophobicContact CG-CB 4.22Å; Y107-R145 PolarHBondContact OH-NH1 2.96Å; Y107-R145 VanDerWaalsContact OH-NH1 3.16Å; Y107-R145 PolarHBondContact OH-NH2 2.71Å; Y107-I150 HydrophobicContact CD1-CB 3.55Å; Y107-I150 HydrophobicContact CD1-CG2 3.47Å; Y107-I150 VanDerWaalsContact CD1-CG2 3.47Å; Y107-I150 HydrophobicContact CD2-CB 4.27Å; Y107-I150 HydrophobicContact CE1-CB 3.92Å; Y107-I150 HydrophobicContact CE1-CG2 4.14Å; Y107-I150 HydrophobicContact CG-CB 3.75Å; Y107-I150 HydrophobicContact CG-CD1 4.32Å; Y107-I150 HydrophobicContact CG-CG2 3.93Å; Y107-I150 PolarHBondContact OH-O 2.85Å; Y107-A152 HydrophobicContact CD2-CB 3.75Å; Y107-A152 HydrophobicContact CE2-CB 3.77Å; Y107-N211 HydrophobicContact CE1-CB 4.37Å; Y107-N211 PolarHBondContact OH-ND2 3.27Å; Y107-N211 PolarHBondContact OH-OD1 2.8Å; Y107-E286 PolarHBondContact OH-OE1 3.13Å; Y107-Y324 AromaticContact CE2-CE2 3.81Å; Y107-Y324 HydrophobicContact CE2-CE2 3.81Å
108	V	98.9	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.			trans	-120.7	116.2	170.2	-178.3	0	0	0	0	109.6	W110 H113 L128 L144 R145 F185 L189	V108-W110 PolarHBondContact O-N 3.03Å; V108-H113 WeakPolarHBondContact CG1-CD2 3.33Å; V108-L128 HydrophobicContact CG2-CD2 3.87Å; V108-L144 HydrophobicContact CG2-CD1 3.86Å; V108-R145 PolarHBondContact N-O 3.42Å; V108-R145 VanDerWaalsContact N-O 3.14Å; V108-F185 HydrophobicContact CG1-CZ 3.99Å; V108-L189 HydrophobicContact CB-CD2 4.25Å; V108-L189 HydrophobicContact CG1-CD1 3.76Å; V108-L189 HydrophobicContact CG1-CD2 3.86Å; V108-L189 HydrophobicContact CG1-CG 4.46Å; V108-L189 HydrophobicContact CG2-CD1 4.34Å; V108-L189 HydrophobicContact CG2-CD2 4.4Å
109	P	98.7	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.			trans	-83	95.5	-177.4	34.1	-32.7	0	0	0	110.2	Y81 F82 N111 L112 H113 I150	Y81-P109 WeakPolarHBondContact OH-CD 3.44Å; F82-P109 HydrophobicContact CB-CG 3.9Å; F82-P109 HydrophobicContact CD1-CB 4.22Å; F82-P109 VanDerWaalsContact CD1-CD 3.44Å; F82-P109 HydrophobicContact CD1-CG 3.47Å; F82-P109 VanDerWaalsContact CD1-CG 3.47Å; F82-P109 HydrophobicContact CD2-CG 4.33Å; F82-P109 HydrophobicContact CE1-CB 4.33Å; F82-P109 HydrophobicContact CE1-CG 3.98Å; F82-P109 HydrophobicContact CG-CB 4.3Å; F82-P109 HydrophobicContact CG-CG 3.66Å; P109-N111 PolarHBondContact O-N 3.13Å; P109-L112 HydrophobicContact CB-CB 4.33Å; P109-L112 HydrophobicContact CB-CG 4.43Å; P109-L112 HydrophobicContact CG-CB 4.06Å; P109-L112 HydrophobicContact CG-CD1 4.26Å; P109-L112 HydrophobicContact CG-CG 4.41Å; P109-L112 PolarHBondContact O-N 3.04Å; P109-H113 PolarHBondContact O-CD2 2.87Å; P109-H113 VanDerWaalsContact O-CD2 3.27Å; P109-H113 PolarHBondContact O-N 3.15Å; P109-H113 VanDerWaalsContact O-N 3.16Å; P109-I150 HydrophobicContact CB-CD1 4.29Å
110	W	98.9	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-52.6	-41.1	-179.2	177.7	14.5	0	0	0	112.1	V108 L112 H113 E114 P148 G158 L159 P160 W162 L163 F178 A181 V182 F185	V108-W110 PolarHBondContact O-N 3.03Å; W110-L112 PolarHBondContact O-N 3.28Å; W110-L112 VanDerWaalsContact O-N 3.16Å; W110-H113 CarbonylContact O-C 3.51Å; W110-H113 PolarHBondContact O-N 3.24Å; W110-E114 PolarHBondContact NE1-OE2 3.39Å; W110-E114 PolarHBondContact O-N 2.97Å; W110-P148 HydrophobicContact CE3-CB 3.64Å; W110-P148 HydrophobicContact CZ3-CB 3.75Å; W110-G158 CarbonylContact C-O 3.51Å; W110-G158 WeakPolarHBondContact CA-O 3.32Å; W110-G158 VanDerWaalsContact CB-O 3.3Å; W110-G158 WeakPolarHBondContact CB-O 3.47Å; W110-G158 PolarHBondContact N-O 3.42Å; W110-L159 HydrophobicContact CE3-CD2 3.64Å; W110-L159 HydrophobicContact CZ3-CD2 3.84Å; W110-P160 HydrophobicContact CD2-CG 3.87Å; W110-P160 HydrophobicContact CE3-CG 4.44Å; W110-P160 HydrophobicContact CG-CG 4.16Å; W110-P160 HydrophobicContact CZ2-CG 4.12Å; W110-W162 AromaticContact CZ2-CH2 3.9Å; W110-W162 HydrophobicContact CZ2-CH2 3.9Å; W110-W162 HydrophobicContact CZ2-CZ2 4.16Å; W110-L163 HydrophobicContact CH2-CD1 4.13Å; W110-L163 HydrophobicContact CH2-CD2 4.29Å; W110-L163 HydrophobicContact CZ3-CD1 4.09Å; W110-F178 HydrophobicContact CZ3-CE2 4.08Å; W110-F178 HydrophobicContact CZ3-CZ 4.46Å; W110-A181 HydrophobicContact CH2-CB 3.73Å; W110-A181 HydrophobicContact CZ2-CB 3.91Å; W110-A181 WeakPolarHBondContact CZ2-O 3.41Å; W110-V182 HydrophobicContact CH2-CG2 3.88Å; W110-V182 HydrophobicContact CZ3-CG2 3.8Å; W110-F185 HydrophobicContact CB-CD1 4.02Å; W110-F185 HydrophobicContact CB-CE1 3.59Å; W110-F185 HydrophobicContact CB-CE2 4.13Å; W110-F185 HydrophobicContact CB-CG 4.46Å; W110-F185 HydrophobicContact CB-CZ 3.64Å; W110-F185 AromaticContact CD1-CD1 3.77Å; W110-F185 AromaticContact CD1-CD2 3.26Å; W110-F185 AromaticContact CD1-CE2 3.59Å; W110-F185 AromaticContact CD1-CG 3.36Å; W110-F185 AromaticContact CD1-CZ 3.96Å; W110-F185 HydrophobicContact CD2-CB 4.17Å; W110-F185 AromaticContact CD2-CD1 3.72Å; W110-F185 HydrophobicContact CD2-CD1 3.72Å; W110-F185 HydrophobicContact CD2-CE1 4.24Å; W110-F185 AromaticContact CD2-CG 3.89Å; W110-F185 HydrophobicContact CD2-CG 3.89Å; W110-F185 AromaticContact CE2-CG 3.73Å; W110-F185 HydrophobicContact CE3-CD1 4.26Å; W110-F185 HydrophobicContact CG-CB 4.41Å; W110-F185 AromaticContact CG-CD1 3.59Å; W110-F185 HydrophobicContact CG-CD1 3.59Å; W110-F185 AromaticContact CG-CD2 3.9Å; W110-F185 HydrophobicContact CG-CD2 3.9Å; W110-F185 AromaticContact CG-CE1 3.7Å; W110-F185 HydrophobicContact CG-CE1 3.7Å; W110-F185 HydrophobicContact CG-CE2 4.01Å; W110-F185 AromaticContact CG-CG 3.69Å; W110-F185 HydrophobicContact CG-CG 3.69Å; W110-F185 AromaticContact CG-CZ 3.89Å; W110-F185 HydrophobicContact CG-CZ 3.89Å; W110-F185 HydrophobicContact CZ2-CB 3.83Å; W110-F185 HydrophobicContact CZ2-CG 4.46Å; W110-F185 AromaticContact NE1-CD2 3.62Å; W110-F185 AromaticContact NE1-CG 3.42Å
111	N	98.7	Very high	98.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-29.9	179.2	65.4	-10.3	0	0	0	114.9	P109 P115 W154 D155 G158 L159 P160	P109-N111 PolarHBondContact O-N 3.13Å; N111-P115 WeakPolarHBondContact O-CA 3.37Å; N111-W154 PolarHBondContact ND2-NE1 2.89Å; N111-W154 PolarHBondContact OD1-NE1 2.8Å; N111-D155 PolarHBondContact ND2-O 2.92Å; N111-D155 VanDerWaalsContact ND2-O 3.14Å; N111-G158 WeakPolarHBondContact CB-O 3.42Å; N111-G158 PolarHBondContact N-O 2.86Å; N111-L159 WeakPolarHBondContact CB-O 3Å; N111-P160 HydrophobicContact CB-CB 4.43Å
112	L	98.4	Very high	98	Very high	40 Å²	40	25.8 Å²	25.8	21%	0.209	14%	0.14	C	C	.	.	H	α-helix	trans	-87	-32	174.7	-72.3	-166.9	0	0	0	112.5	F82 P109 W110 P115 L126 W154 M335	F82-L112 HydrophobicContact CB-CD1 4.14Å; P109-L112 HydrophobicContact CB-CB 4.33Å; P109-L112 HydrophobicContact CB-CG 4.43Å; P109-L112 HydrophobicContact CG-CB 4.06Å; P109-L112 HydrophobicContact CG-CD1 4.26Å; P109-L112 HydrophobicContact CG-CG 4.41Å; P109-L112 PolarHBondContact O-N 3.04Å; W110-L112 PolarHBondContact O-N 3.28Å; W110-L112 VanDerWaalsContact O-N 3.16Å; L112-P115 WeakPolarHBondContact O-CD 3.34Å; L112-L126 HydrophobicContact CB-CD1 3.92Å; L112-L126 HydrophobicContact CB-CD2 3.82Å; L112-L126 HydrophobicContact CD1-CD2 3.82Å; L112-L126 WeakPolarHBondContact O-CD1 3.35Å; L112-W154 HydrophobicContact CD1-CH2 4.29Å; L112-W154 HydrophobicContact CD1-CZ2 3.6Å; L112-W154 HydrophobicContact CG-CZ2 4.05Å; L112-M335 HydrophobicContact CD2-SD 3.61Å; L112-M335 HydrophobicContact CG-SD 4.23Å
113	H	98.8	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-78.6	-22.5	177.2	-73.2	-62.3	0	0	0	113.9	Y81 V108 P109 W110 F120 D121 F122 L126 F185	Y81-H113 AromaticContact CE2-NE2 3.93Å; Y81-H113 AromaticContact CZ-NE2 3.76Å; Y81-H113 PolarHBondContact OH-NE2 3.49Å; V108-H113 WeakPolarHBondContact CG1-CD2 3.33Å; P109-H113 PolarHBondContact O-CD2 2.87Å; P109-H113 VanDerWaalsContact O-CD2 3.27Å; P109-H113 PolarHBondContact O-N 3.15Å; P109-H113 VanDerWaalsContact O-N 3.16Å; W110-H113 CarbonylContact O-C 3.51Å; W110-H113 PolarHBondContact O-N 3.24Å; H113-F120 CarbonylContact O-C 3.55Å; H113-F120 WeakPolarHBondContact O-CA 3.49Å; H113-D121 PolarHBondContact ND1-O 2.83Å; H113-D121 PolarHBondContact O-N 3.04Å; H113-F122 HydrophobicContact CB-CE1 4.47Å; H113-F122 HydrophobicContact CB-CZ 4.38Å; H113-F122 AromaticContact CE1-CD1 3.63Å; H113-F122 AromaticContact CE1-CE1 3.78Å; H113-F122 AromaticContact CG-CE1 3.91Å; H113-F122 AromaticContact ND1-CD1 3.4Å; H113-F122 WeakPolarHBondContact ND1-CD1 3.36Å; H113-F122 AromaticContact ND1-CE1 3.4Å; H113-F122 WeakPolarHBondContact ND1-CE1 3.11Å; H113-L126 PolarHBondContact CE1-O 3.32Å; H113-L126 VanDerWaalsContact CE1-O 3.31Å; H113-F185 HydrophobicContact CB-CE2 3.88Å
114	E	98.4	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.			trans	-135.9	65.8	175.2	-165.2	-178.8	177.2	0	0	110.1	W110 E116 G118 V119 F120 W162	W110-E114 PolarHBondContact NE1-OE2 3.39Å; W110-E114 PolarHBondContact O-N 2.97Å; E114-E116 VanDerWaalsContact CG-O 3.28Å; E114-E116 WeakPolarHBondContact CG-O 3.41Å; E114-E116 PolarHBondContact O-N 3.43Å; E114-G118 PolarHBondContact OE1-N 3.05Å; E114-V119 WeakPolarHBondContact CA-O 3.4Å; E114-F120 HydrophobicContact CB-CD1 3.93Å; E114-F120 HydrophobicContact CB-CE1 3.8Å; E114-F120 VanDerWaalsContact CD-CE1 3.43Å; E114-F120 HydrophobicContact CG-CD1 4.04Å; E114-F120 HydrophobicContact CG-CE1 3.66Å; E114-F120 HydrophobicContact CG-CZ 4.06Å; E114-F120 WeakPolarHBondContact OE2-CE1 3.36Å; E114-W162 VanDerWaalsContact CD-CZ2 3.49Å; E114-W162 HydrophobicContact CG-CZ2 4.01Å; E114-W162 PolarHBondContact O-NE1 2.96Å
115	P	95.6	Very high	97.7	Very high	51 Å²	51	38 Å²	38	33%	0.331	20%	0.202	S	C	.	.	S	Bend	trans	-65.6	-26.4	-175.8	27.6	-35.2	0	0	0	112.4	N111 L112	N111-P115 WeakPolarHBondContact O-CA 3.37Å; L112-P115 WeakPolarHBondContact O-CD 3.34Å
116	E	95.6	Very high	97.7	Very high	35 Å²	35	38.8 Å²	38.8	16%	0.164	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-124.4	142	170.1	-69.7	-179.9	-153.7	0	0	108.2	E114 G118 V119 N433 N435 K539	E114-E116 VanDerWaalsContact CG-O 3.28Å; E114-E116 WeakPolarHBondContact CG-O 3.41Å; E114-E116 PolarHBondContact O-N 3.43Å; E116-G118 PolarHBondContact O-N 3.13Å; E116-G118 VanDerWaalsContact O-N 3.17Å; E116-V119 HydrophobicContact CB-CB 4.02Å; E116-V119 HydrophobicContact CB-CG2 4.02Å; E116-V119 PolarHBondContact O-N 3.41Å; E116-N433 PolarHBondContact OE2-ND2 2.8Å; E116-N435 HydrophobicContact CB-CB 4.38Å; E116-N435 HydrophobicContact CG-CB 4.09Å; E116-K539 IonicContact OE1-NZ 3.94Å
117	R	96	Very high	97.7	Very high	123 Å²	123	39.8 Å²	39.8	46%	0.464	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	122.9	-176.9	179.9	-179.2	-99.7	-88.7	9.1	110.6	V119 W162 N435	R117-V119 VanDerWaalsContact C-N 3.29Å; R117-W162 HydrophobicContact CB-CD2 3.9Å; R117-W162 HydrophobicContact CB-CE3 4.08Å; R117-W162 HydrophobicContact CB-CG 4.37Å; R117-W162 HydrophobicContact CB-CH2 4.48Å; R117-W162 HydrophobicContact CB-CZ2 4.29Å; R117-W162 HydrophobicContact CB-CZ3 4.39Å; R117-W162 HydrophobicContact CG-CE3 4.34Å; R117-W162 HydrophobicContact CG-CH2 4.27Å; R117-W162 HydrophobicContact CG-CZ2 4.49Å; R117-W162 HydrophobicContact CG-CZ3 4.21Å; R117-W162 VanDerWaalsContact CZ-CZ3 3.49Å; R117-W162 VanDerWaalsContact NE-CZ3 3.3Å; R117-N435 WeakPolarHBondContact CB-OD1 3.3Å; R117-N435 PolarHBondContact N-OD1 2.93Å
118	G	96.1	Very high	97.7	Very high	47 Å²	47	39.8 Å²	39.8	49%	0.485	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	2.8	-178.9	0	0	0	0	0	115.3	E114 E116	E114-G118 PolarHBondContact OE1-N 3.05Å; E116-G118 PolarHBondContact O-N 3.13Å; E116-G118 VanDerWaalsContact O-N 3.17Å
119	V	97.3	Very high	97.7	Very high	78 Å²	78	42 Å²	42	47%	0.473	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-109.1	110.6	177	-178.3	0	0	0	0	108.5	E114 E116 R117	E114-V119 WeakPolarHBondContact CA-O 3.4Å; E116-V119 HydrophobicContact CB-CB 4.02Å; E116-V119 HydrophobicContact CB-CG2 4.02Å; E116-V119 PolarHBondContact O-N 3.41Å; R117-V119 VanDerWaalsContact C-N 3.29Å
120	F	98.2	Very high	97.7	Very high	58 Å²	58	42.2 Å²	42.2	25%	0.254	22%	0.224	S	C	.	.			trans	-104.1	139.2	-174.6	-61	-85.3	0	0	0	113.3	H113 E114 F122 F185 E188	H113-F120 CarbonylContact O-C 3.55Å; H113-F120 WeakPolarHBondContact O-CA 3.49Å; E114-F120 HydrophobicContact CB-CD1 3.93Å; E114-F120 HydrophobicContact CB-CE1 3.8Å; E114-F120 VanDerWaalsContact CD-CE1 3.43Å; E114-F120 HydrophobicContact CG-CD1 4.04Å; E114-F120 HydrophobicContact CG-CE1 3.66Å; E114-F120 HydrophobicContact CG-CZ 4.06Å; E114-F120 WeakPolarHBondContact OE2-CE1 3.36Å; F120-F122 HydrophobicContact CB-CD2 4.37Å; F120-F122 HydrophobicContact CB-CE2 3.96Å; F120-F185 HydrophobicContact CE1-CD2 4.13Å; F120-E188 HydrophobicContact CD1-CB 4.11Å; F120-E188 HydrophobicContact CD1-CG 4.25Å; F120-E188 HydrophobicContact CD2-CB 4.39Å; F120-E188 HydrophobicContact CD2-CG 3.68Å; F120-E188 HydrophobicContact CE1-CB 4.18Å; F120-E188 HydrophobicContact CE1-CG 4.2Å; F120-E188 HydrophobicContact CE2-CB 4.44Å; F120-E188 HydrophobicContact CE2-CG 3.61Å; F120-E188 HydrophobicContact CG-CB 4.21Å; F120-E188 HydrophobicContact CG-CG 4Å; F120-E188 HydrophobicContact CZ-CB 4.34Å; F120-E188 HydrophobicContact CZ-CG 3.88Å
121	D	98.1	Very high	97.7	Very high	64 Å²	64	42.3 Å²	42.3	34%	0.342	22%	0.224	S	C	.	.			trans	-123.8	125.6	176.4	-169.4	-0.6	0	0	0	111.2	H113 E123 L126	H113-D121 PolarHBondContact ND1-O 2.83Å; H113-D121 PolarHBondContact O-N 3.04Å; D121-E123 PolarHBondContact OD1-N 2.77Å; D121-L126 HydrophobicContact CB-CD1 4.18Å
122	F	98.3	Very high	97.7	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	22%	0.223	C	C	.	.			trans	-136.7	27	175.9	-66.6	-85.1	0	0	0	110.7	H113 F120 L126 D127 L189 K192	H113-F122 HydrophobicContact CB-CE1 4.47Å; H113-F122 HydrophobicContact CB-CZ 4.38Å; H113-F122 AromaticContact CE1-CD1 3.63Å; H113-F122 AromaticContact CE1-CE1 3.78Å; H113-F122 AromaticContact CG-CE1 3.91Å; H113-F122 AromaticContact ND1-CD1 3.4Å; H113-F122 WeakPolarHBondContact ND1-CD1 3.36Å; H113-F122 AromaticContact ND1-CE1 3.4Å; H113-F122 WeakPolarHBondContact ND1-CE1 3.11Å; F120-F122 HydrophobicContact CB-CD2 4.37Å; F120-F122 HydrophobicContact CB-CE2 3.96Å; F122-L126 WeakPolarHBondContact CA-O 3.49Å; F122-D127 WeakPolarHBondContact O-CA 3.49Å; F122-D127 WeakPolarHBondContact O-CB 3.45Å; F122-D127 PolarHBondContact O-N 3.11Å; F122-L189 HydrophobicContact CE1-CD1 4.05Å; F122-L189 HydrophobicContact CZ-CD1 4.46Å; F122-K192 HydrophobicContact CD1-CG 4.49Å; F122-K192 HydrophobicContact CE1-CG 4.36Å; F122-K192 HydrophobicContact CE2-CG 4.41Å; F122-K192 HydrophobicContact CZ-CG 4.31Å
123	E	97.6	Very high	97.7	Very high	127 Å²	127	45.5 Å²	45.5	59%	0.593	23%	0.233	S	C	*	.	S	Bend	trans	-100.3	168.6	-178.8	-60.6	-61	147.5	0	0	111.3	D121 D125 L126 D127	D121-E123 PolarHBondContact OD1-N 2.77Å; E123-D125 PolarHBondContact O-N 2.73Å; E123-L126 CarbonylContact O-C 3.56Å; E123-L126 WeakPolarHBondContact O-CA 2.94Å; E123-L126 WeakPolarHBondContact O-CB 3.34Å; E123-L126 PolarHBondContact O-N 3.04Å; E123-D127 PolarHBondContact O-N 2.85Å
124	D	95.8	Very high	97.7	Very high	110 Å²	110	47.1 Å²	47.1	59%	0.588	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	47.1	-120.3	174.6	-67.8	-30	0	0	0	113.7	R86 W89 L126 D127	R86-D124 WeakPolarHBondContact CD-O 3.02Å; R86-D124 PolarHBondContact NH1-O 3.14Å; W89-D124 WeakPolarHBondContact CH2-O 3.23Å; D124-L126 PolarHBondContact O-N 3.23Å; D124-D127 WeakPolarHBondContact O-CB 3.4Å; D124-D127 PolarHBondContact O-N 2.62Å
125	D	96.5	Very high	97.7	Very high	43 Å²	43	47.1 Å²	47.1	23%	0.23	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-71.2	-2.1	-179.2	-65.1	-36	0	0	0	112.7	Y81 R86 W89 E123 R595	Y81-D125 WeakPolarHBondContact CD2-O 3.33Å; R86-D125 VanDerWaalsContact CB-OD1 3.24Å; R86-D125 WeakPolarHBondContact CB-OD1 3.46Å; R86-D125 PolarHBondContact N-OD1 3.43Å; W89-D125 WeakPolarHBondContact CZ2-O 3.48Å; E123-D125 PolarHBondContact O-N 2.73Å; D125-R595 IonicContact OD2-NH1 3.7Å
126	L	98.5	Very high	97.9	Very high	18 Å²	18	47 Å²	47	9%	0.094	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-112.9	6.4	176.2	-61.9	178.9	0	0	0	113.5	Y81 F82 L112 H113 D121 F122 E123 D124 L128	Y81-L126 HydrophobicContact CE2-CD2 4.22Å; F82-L126 HydrophobicContact CB-CD2 4.46Å; L112-L126 HydrophobicContact CB-CD1 3.92Å; L112-L126 HydrophobicContact CB-CD2 3.82Å; L112-L126 HydrophobicContact CD1-CD2 3.82Å; L112-L126 WeakPolarHBondContact O-CD1 3.35Å; H113-L126 PolarHBondContact CE1-O 3.32Å; H113-L126 VanDerWaalsContact CE1-O 3.31Å; D121-L126 HydrophobicContact CB-CD1 4.18Å; F122-L126 WeakPolarHBondContact CA-O 3.49Å; E123-L126 CarbonylContact O-C 3.56Å; E123-L126 WeakPolarHBondContact O-CA 2.94Å; E123-L126 WeakPolarHBondContact O-CB 3.34Å; E123-L126 PolarHBondContact O-N 3.04Å; D124-L126 PolarHBondContact O-N 3.23Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.04Å
127	D	98.7	Very high	98	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.112	26%	0.264	C	S	.	.			trans	-74	80.3	175.1	-172.8	-13	0	0	0	111.7	R86 W89 F122 E123 D124 E129 A130 Y131 R133	R86-D127 IonicContact CZ-OD2 2.83Å; R86-D127 VanDerWaalsContact CZ-OD2 3.26Å; R86-D127 IonicContact NH1-OD2 2.74Å; R86-D127 PolarHBondContact NH1-OD2 3.13Å; R86-D127 IonicContact NH2-OD2 2.68Å; R86-D127 PolarHBondContact NH2-OD2 3.18Å; W89-D127 HydrophobicContact CH2-CB 4.48Å; F122-D127 WeakPolarHBondContact O-CA 3.49Å; F122-D127 WeakPolarHBondContact O-CB 3.45Å; F122-D127 PolarHBondContact O-N 3.11Å; E123-D127 PolarHBondContact O-N 2.85Å; D124-D127 WeakPolarHBondContact O-CB 3.4Å; D124-D127 PolarHBondContact O-N 2.62Å; D127-E129 PolarHBondContact O-N 3.18Å; D127-E129 PolarHBondContact OD1-N 3.47Å; D127-A130 HydrophobicContact CB-CB 4.09Å; D127-A130 PolarHBondContact O-N 2.88Å; D127-A130 WeakPolarHBondContact OD1-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 3.41Å; D127-A130 VanDerWaalsContact OD2-CB 3.22Å; D127-A130 WeakPolarHBondContact OD2-CB 3.43Å; D127-Y131 PolarHBondContact O-N 3.43Å; D127-Y131 VanDerWaalsContact O-N 3.08Å; D127-R133 IonicContact OD1-NH2 3.63Å; D127-R133 IonicContact OD2-NH2 3.18Å
128	L	98.8	Very high	98.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-36.4	177.2	178.2	58.4	0	0	0	111.6	Y81 V108 L126 A130 Y131 L132 L189 V193	Y81-L128 HydrophobicContact CD1-CD1 4.24Å; Y81-L128 HydrophobicContact CE1-CD1 3.72Å; V108-L128 HydrophobicContact CG2-CD2 3.87Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.04Å; L128-A130 PolarHBondContact O-N 2.94Å; L128-Y131 PolarHBondContact O-N 3.05Å; L128-L132 HydrophobicContact CD1-CD1 4.27Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 HydrophobicContact CG-CG 4.39Å; L128-L132 WeakPolarHBondContact O-CB 3.39Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 3.48Å; L128-L189 HydrophobicContact CD2-CD1 3.8Å; L128-V193 HydrophobicContact CD2-CG1 3.57Å; L128-V193 HydrophobicContact CG-CG1 4.33Å
129	E	98.8	Very high	98.2	Very high	46 Å²	46	44.1 Å²	44.1	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-43.5	178.8	-60.2	-172	-118.6	0	0	111.1	D127 L132 R133 K192 Y196	D127-E129 PolarHBondContact O-N 3.18Å; D127-E129 PolarHBondContact OD1-N 3.47Å; E129-L132 PolarHBondContact O-N 2.7Å; E129-R133 VanDerWaalsContact CB-NH1 3.32Å; E129-R133 WeakPolarHBondContact O-CG 3.27Å; E129-R133 PolarHBondContact O-N 2.8Å; E129-K192 HydrophobicContact CG-CB 4.4Å; E129-K192 HydrophobicContact CG-CD 4.16Å; E129-K192 WeakPolarHBondContact OE1-CD 3.29Å; E129-K192 WeakPolarHBondContact OE1-CE 3.36Å; E129-K192 IonicContact OE1-NZ 2.66Å; E129-K192 PolarHBondContact OE1-NZ 3.1Å; E129-Y196 HydrophobicContact CB-CE2 3.72Å; E129-Y196 HydrophobicContact CG-CE2 3.76Å
130	A	98.8	Very high	98.3	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-42.5	173.9	0	0	0	0	0	112.4	W89 D127 L128 L132 R133 I134	W89-A130 HydrophobicContact CZ3-CB 4.32Å; D127-A130 HydrophobicContact CB-CB 4.09Å; D127-A130 PolarHBondContact O-N 2.88Å; D127-A130 WeakPolarHBondContact OD1-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 3.41Å; D127-A130 VanDerWaalsContact OD2-CB 3.22Å; D127-A130 WeakPolarHBondContact OD2-CB 3.43Å; L128-A130 PolarHBondContact O-N 2.94Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.17Å; A130-R133 VanDerWaalsContact CA-NH2 3.3Å; A130-R133 WeakPolarHBondContact O-CB 3.47Å; A130-R133 PolarHBondContact O-N 3.26Å; A130-R133 VanDerWaalsContact O-N 3.16Å; A130-I134 WeakPolarHBondContact O-CG1 3.39Å; A130-I134 PolarHBondContact O-N 2.82Å
131	Y	98.9	Very high	98.3	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-43.5	177.2	-170.2	-120.6	0	0	0	111.7	V79 Y81 W89 L93 L104 T106 D127 L128 I134 A135	V79-Y131 WeakPolarHBondContact CG1-OH 3.45Å; V79-Y131 PolarHBondContact O-OH 2.94Å; Y81-Y131 AromaticContact CD1-CD1 3.78Å; Y81-Y131 HydrophobicContact CD1-CD1 3.78Å; Y81-Y131 AromaticContact CD1-CE1 3.97Å; Y81-Y131 HydrophobicContact CD1-CE1 3.97Å; Y81-Y131 HydrophobicContact CD1-CG 4.46Å; Y81-Y131 HydrophobicContact CG-CD1 4.11Å; Y81-Y131 HydrophobicContact CG-CE1 4.4Å; Y81-Y131 HydrophobicContact CG-CG 4.35Å; W89-Y131 HydrophobicContact CB-CD2 3.87Å; W89-Y131 HydrophobicContact CB-CE2 3.92Å; W89-Y131 AromaticContact CD2-CD2 3.55Å; W89-Y131 HydrophobicContact CD2-CD2 3.55Å; W89-Y131 HydrophobicContact CD2-CE2 4.19Å; W89-Y131 HydrophobicContact CD2-CG 4.41Å; W89-Y131 AromaticContact CE3-CD2 3.79Å; W89-Y131 HydrophobicContact CE3-CD2 3.79Å; W89-Y131 HydrophobicContact CE3-CG 4.37Å; W89-Y131 AromaticContact CG-CD2 3.6Å; W89-Y131 HydrophobicContact CG-CD2 3.6Å; W89-Y131 AromaticContact CG-CE2 3.78Å; W89-Y131 HydrophobicContact CG-CE2 3.78Å; L93-Y131 HydrophobicContact CD1-CD2 4.25Å; L93-Y131 HydrophobicContact CD1-CE2 3.73Å; L93-Y131 HydrophobicContact CD2-CE2 4.41Å; L93-Y131 HydrophobicContact CG-CE2 4.2Å; L104-Y131 HydrophobicContact CD2-CD1 4.37Å; L104-Y131 HydrophobicContact CD2-CE1 3.65Å; T106-Y131 HydrophobicContact CG2-CD1 4.41Å; T106-Y131 HydrophobicContact CG2-CE1 4.09Å; D127-Y131 PolarHBondContact O-N 3.43Å; D127-Y131 VanDerWaalsContact O-N 3.08Å; L128-Y131 PolarHBondContact O-N 3.05Å; Y131-I134 PolarHBondContact O-N 2.99Å; Y131-A135 PolarHBondContact O-N 3.38Å
132	L	98.9	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-37.7	174.4	-66.5	170.8	0	0	0	112.4	L128 E129 A130 A135 A136 V142 V193 Y196 I204	L128-L132 HydrophobicContact CD1-CD1 4.27Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 HydrophobicContact CG-CG 4.39Å; L128-L132 WeakPolarHBondContact O-CB 3.39Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 3.48Å; E129-L132 PolarHBondContact O-N 2.7Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.17Å; L132-A135 PolarHBondContact O-N 2.74Å; L132-A136 WeakPolarHBondContact O-CB 3.45Å; L132-A136 PolarHBondContact O-N 2.9Å; L132-V142 HydrophobicContact CD2-CB 4.3Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; L132-V142 HydrophobicContact CD2-CG2 4.01Å; L132-V193 HydrophobicContact CD1-CG1 4.24Å; L132-Y196 HydrophobicContact CB-CD1 3.87Å; L132-Y196 HydrophobicContact CB-CE1 4.36Å; L132-Y196 HydrophobicContact CB-CG 3.99Å; L132-Y196 HydrophobicContact CD1-CD2 3.84Å; L132-Y196 HydrophobicContact CD1-CG 3.78Å; L132-I204 HydrophobicContact CD1-CD1 4.02Å; L132-I204 HydrophobicContact CD2-CD1 4.25Å; L132-I204 HydrophobicContact CD2-CG1 4.1Å
133	R	98.8	Very high	98.4	Very high	109 Å²	109	36.9 Å²	36.9	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-39.2	173.6	-74.6	-175.4	-60.1	-98.1	5.7	112.3	D127 E129 A130 A136 S137 Y196	D127-R133 IonicContact OD1-NH2 3.63Å; D127-R133 IonicContact OD2-NH2 3.18Å; E129-R133 VanDerWaalsContact CB-NH1 3.32Å; E129-R133 WeakPolarHBondContact O-CG 3.27Å; E129-R133 PolarHBondContact O-N 2.8Å; A130-R133 VanDerWaalsContact CA-NH2 3.3Å; A130-R133 WeakPolarHBondContact O-CB 3.47Å; A130-R133 PolarHBondContact O-N 3.26Å; A130-R133 VanDerWaalsContact O-N 3.16Å; R133-A136 PolarHBondContact O-N 3.16Å; R133-S137 PolarHBondContact O-N 2.85Å; R133-Y196 HydrophobicContact CG-CE1 3.58Å; R133-Y196 PolarHBondContact NH1-OH 3.11Å
134	I	98.8	Very high	98.4	Very high	34 Å²	34	30.8 Å²	30.8	17%	0.174	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-47.2	175.2	-64.6	165.9	0	0	0	109.9	W89 E90 L93 A130 Y131 A136 S137 L138	W89-I134 HydrophobicContact CB-CD1 4.09Å; W89-I134 HydrophobicContact CE3-CD1 4.06Å; E90-I134 HydrophobicContact CB-CG2 4.1Å; E90-I134 HydrophobicContact CG-CG2 4.34Å; L93-I134 HydrophobicContact CD1-CB 4.4Å; L93-I134 HydrophobicContact CD1-CG2 3.84Å; A130-I134 WeakPolarHBondContact O-CG1 3.39Å; A130-I134 PolarHBondContact O-N 2.82Å; Y131-I134 PolarHBondContact O-N 2.99Å; I134-A136 VanDerWaalsContact C-N 3.26Å; I134-A136 PolarHBondContact O-N 2.92Å; I134-S137 PolarHBondContact O-N 2.59Å; I134-S137 VanDerWaalsContact O-N 3.16Å; I134-S137 PolarHBondContact O-OG 3.29Å; I134-L138 HydrophobicContact CG2-CD1 4.04Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.44Å
135	A	98.8	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.8	-44.2	175.8	0	0	0	0	0	111.7	L93 L104 Y131 L132 L138 G139 L140 V142	L93-A135 HydrophobicContact CD1-CB 4.36Å; L104-A135 HydrophobicContact CD2-CB 3.89Å; Y131-A135 PolarHBondContact O-N 3.38Å; L132-A135 PolarHBondContact O-N 2.74Å; A135-L138 PolarHBondContact O-N 2.71Å; A135-G139 PolarHBondContact O-N 3.04Å; A135-L140 HydrophobicContact CB-CB 4.34Å; A135-L140 PolarHBondContact O-N 2.88Å; A135-V142 HydrophobicContact CB-CG2 3.78Å
136	A	98.6	Very high	98.7	Very high	47 Å²	47	23.6 Å²	23.6	39%	0.388	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-43.8	176.3	0	0	0	0	0	113.1	L132 R133 I134 L138 G139 P203	L132-A136 WeakPolarHBondContact O-CB 3.45Å; L132-A136 PolarHBondContact O-N 2.9Å; R133-A136 PolarHBondContact O-N 3.16Å; I134-A136 VanDerWaalsContact C-N 3.26Å; I134-A136 PolarHBondContact O-N 2.92Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.88Å; A136-G139 PolarHBondContact O-N 3.04Å; A136-P203 HydrophobicContact CB-CB 4.09Å; A136-P203 HydrophobicContact CB-CG 3.94Å
137	S	98.5	Very high	98.5	Very high	84 Å²	84	22.9 Å²	22.9	59%	0.587	13%	0.129	S	C	*	.	H	α-helix	trans	-64.9	-32.9	-179.3	72	0	0	0	0	112.1	R133 I134 G139	R133-S137 PolarHBondContact O-N 2.85Å; I134-S137 PolarHBondContact O-N 2.59Å; I134-S137 VanDerWaalsContact O-N 3.16Å; I134-S137 PolarHBondContact O-OG 3.29Å; S137-G139 VanDerWaalsContact C-N 3.26Å; S137-G139 PolarHBondContact O-N 2.77Å
138	L	98.1	Very high	98.5	Very high	31 Å²	31	21.9 Å²	21.9	16%	0.162	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.2	175.5	-59.4	-177.1	0	0	0	113.5	L93 L94 I134 A135 A136 L140	L93-L138 HydrophobicContact CB-CD1 3.5Å; L93-L138 VanDerWaalsContact CB-CD1 3.5Å; L94-L138 HydrophobicContact CD2-CD1 4.21Å; L94-L138 HydrophobicContact CD2-CD2 3.43Å; L94-L138 VanDerWaalsContact CD2-CD2 3.43Å; L94-L138 HydrophobicContact CD2-CG 4.4Å; L94-L138 HydrophobicContact CG-CD1 3.95Å; L94-L138 HydrophobicContact CG-CD2 3.9Å; I134-L138 HydrophobicContact CG2-CD1 4.04Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.44Å; A135-L138 PolarHBondContact O-N 2.71Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.88Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 HydrophobicContact CB-CD1 4.45Å; L138-L140 HydrophobicContact CB-CG 4.49Å
139	G	97.4	Very high	98.5	Very high	30 Å²	30	21.9 Å²	21.9	31%	0.309	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	38.2	-177.1	0	0	0	0	0	112.7	K97 A135 A136 S137	K97-G139 PolarHBondContact NZ-O 3.41Å; A135-G139 PolarHBondContact O-N 3.04Å; A136-G139 PolarHBondContact O-N 3.04Å; S137-G139 VanDerWaalsContact C-N 3.26Å; S137-G139 PolarHBondContact O-N 2.77Å
140	L	98.7	Very high	98.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.114	C	C	.	.			trans	-93.2	137.5	165.4	-68.1	167.2	0	0	0	108.8	L93 M96 K97 I101 A135 L138	L93-L140 HydrophobicContact CB-CD1 4.01Å; L93-L140 HydrophobicContact CD2-CD1 4.3Å; M96-L140 HydrophobicContact SD-CD1 3.96Å; M96-L140 HydrophobicContact SD-CD2 4.25Å; K97-L140 HydrophobicContact CB-CD2 4.29Å; K97-L140 HydrophobicContact CD-CD2 3.79Å; K97-L140 HydrophobicContact CD-CG 4.29Å; I101-L140 WeakPolarHBondContact O-CD2 3.31Å; A135-L140 HydrophobicContact CB-CB 4.34Å; A135-L140 PolarHBondContact O-N 2.88Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 HydrophobicContact CB-CD1 4.45Å; L138-L140 HydrophobicContact CB-CG 4.49Å
141	W	98.9	Very high	98.5	Very high	63 Å²	63	19.8 Å²	19.8	24%	0.239	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	165.4	163.6	-59.5	114.7	0	0	0	110.4	L67 F72 N102 T103 L104 Y198 P203 I205	L67-W141 HydrophobicContact CD2-CD2 4.09Å; L67-W141 VanDerWaalsContact CD2-CE2 3.46Å; L67-W141 HydrophobicContact CD2-CG 4.49Å; L67-W141 HydrophobicContact CD2-CH2 4.37Å; L67-W141 HydrophobicContact CD2-CZ2 3.63Å; F72-W141 AromaticContact CE2-NE1 3.98Å; F72-W141 AromaticContact CZ-CD1 3.54Å; F72-W141 HydrophobicContact CZ-CG 4.5Å; F72-W141 AromaticContact CZ-NE1 3.91Å; N102-W141 PolarHBondContact O-N 2.84Å; T103-W141 CarbonylContact C-O 3.5Å; T103-W141 WeakPolarHBondContact CA-O 3.3Å; T103-W141 HydrophobicContact CG2-CB 4.13Å; L104-W141 PolarHBondContact N-O 3.33Å; W141-Y198 HydrophobicContact CE3-CD2 4.42Å; W141-Y198 HydrophobicContact CH2-CD2 4.06Å; W141-Y198 AromaticContact CH2-CE2 3.83Å; W141-Y198 HydrophobicContact CH2-CE2 3.83Å; W141-Y198 AromaticContact CZ3-CD2 3.65Å; W141-Y198 HydrophobicContact CZ3-CD2 3.65Å; W141-Y198 AromaticContact CZ3-CE2 3.92Å; W141-Y198 HydrophobicContact CZ3-CE2 3.92Å; W141-P203 CarbonylContact C-O 3.53Å; W141-I205 HydrophobicContact CB-CD1 3.57Å; W141-I205 HydrophobicContact CB-CG1 3.95Å; W141-I205 HydrophobicContact CB-CG2 4.22Å; W141-I205 HydrophobicContact CD2-CG2 3.86Å; W141-I205 HydrophobicContact CE3-CG2 3.49Å; W141-I205 VanDerWaalsContact CE3-CG2 3.49Å; W141-I205 HydrophobicContact CG-CD1 3.97Å; W141-I205 HydrophobicContact CG-CG2 4.2Å; W141-I205 HydrophobicContact CZ3-CG2 4.14Å
142	V	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	179.3	177.7	0	0	0	0	111.2	L104 L132 A135 L144 P203 I204 I205	L104-V142 HydrophobicContact CB-CG2 4.36Å; L104-V142 HydrophobicContact CD2-CG2 4.31Å; L104-V142 CarbonylContact O-C 3.51Å; L104-V142 VanDerWaalsContact O-CA 3.27Å; L104-V142 WeakPolarHBondContact O-CA 3.3Å; L132-V142 HydrophobicContact CD2-CB 4.3Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; L132-V142 HydrophobicContact CD2-CG2 4.01Å; A135-V142 HydrophobicContact CB-CG2 3.78Å; V142-L144 HydrophobicContact CG1-CB 4.46Å; V142-P203 HydrophobicContact CG2-CB 4.01Å; V142-P203 HydrophobicContact CG2-CG 3.99Å; V142-P203 PolarHBondContact N-O 2.62Å; V142-I204 HydrophobicContact CB-CG1 4.08Å; V142-I204 HydrophobicContact CG1-CG1 4.09Å; V142-I204 CarbonylContact O-C 3.49Å; V142-I204 WeakPolarHBondContact O-CA 3.46Å; V142-I205 WeakPolarHBondContact O-CG1 3.33Å; V142-I205 PolarHBondContact O-N 2.88Å
143	I	98.9	Very high	98.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110	159.4	-60.8	176.6	0	0	0	106.8	I74 T103 L104 T105 T106 A206 L240 M283 M285	I74-I143 HydrophobicContact CD1-CD1 4.27Å; I74-I143 HydrophobicContact CG2-CD1 4.17Å; T103-I143 HydrophobicContact CG2-CD1 3.94Å; T103-I143 HydrophobicContact CG2-CG1 3.68Å; L104-I143 PolarHBondContact O-N 3.3Å; T105-I143 WeakPolarHBondContact CA-O 3.28Å; T105-I143 HydrophobicContact CG2-CB 4.39Å; T105-I143 HydrophobicContact CG2-CG2 4.45Å; T106-I143 PolarHBondContact N-O 3.34Å; I143-A206 WeakPolarHBondContact CA-O 3.42Å; I143-A206 HydrophobicContact CG1-CB 4.19Å; I143-A206 HydrophobicContact CG2-CB 4.4Å; I143-L240 HydrophobicContact CG2-CD2 4.1Å; I143-M283 HydrophobicContact CD1-CE 3.75Å; I143-M283 HydrophobicContact CD1-SD 4.36Å; I143-M285 HydrophobicContact CD1-CE 4.04Å; I143-M285 HydrophobicContact CG2-CE 4.04Å; I143-M285 HydrophobicContact CG2-SD 4.43Å
144	L	98.9	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.5	-179.8	-175.2	68.5	0	0	0	109.7	T106 V108 V142 P146 V193 I204 A206 V207 Q208	T106-L144 HydrophobicContact CG2-CD1 4.17Å; V108-L144 HydrophobicContact CG2-CD1 3.86Å; V142-L144 HydrophobicContact CG1-CB 4.46Å; L144-P146 WeakPolarHBondContact O-CD 3.47Å; L144-V193 HydrophobicContact CD2-CB 3.88Å; L144-V193 HydrophobicContact CD2-CG1 3.79Å; L144-V193 HydrophobicContact CD2-CG2 3.83Å; L144-I204 HydrophobicContact CB-CG2 4.24Å; L144-I204 HydrophobicContact CD2-CD1 4.19Å; L144-A206 PolarHBondContact N-O 2.88Å; L144-V207 HydrophobicContact CB-CG2 4.49Å; L144-V207 CarbonylContact O-C 3.47Å; L144-V207 VanDerWaalsContact O-CA 3.28Å; L144-V207 WeakPolarHBondContact O-CA 3.37Å; L144-Q208 PolarHBondContact O-N 2.9Å
145	R	98.9	Very high	98.4	Very high	1 Å²	1	14 Å²	14	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	81.6	176.4	-55.6	176.9	71.2	173.5	9.5	108.7	T105 T106 Y107 V108 G147 Q208 N211 S242 E286	T105-R145 HydrophobicContact CG2-CG 4.01Å; T106-R145 PolarHBondContact O-N 2.64Å; Y107-R145 CarbonylContact C-O 3.57Å; Y107-R145 VanDerWaalsContact CA-O 3.27Å; Y107-R145 WeakPolarHBondContact CA-O 3.44Å; Y107-R145 HydrophobicContact CD1-CB 3.29Å; Y107-R145 HydrophobicContact CD1-CG 4.29Å; Y107-R145 WeakPolarHBondContact CD1-O 3.15Å; Y107-R145 HydrophobicContact CE1-CB 3.59Å; Y107-R145 HydrophobicContact CE1-CG 4.28Å; Y107-R145 VanDerWaalsContact CE1-CZ 3.47Å; Y107-R145 HydrophobicContact CG-CB 4.22Å; Y107-R145 PolarHBondContact OH-NH1 2.96Å; Y107-R145 VanDerWaalsContact OH-NH1 3.16Å; Y107-R145 PolarHBondContact OH-NH2 2.71Å; V108-R145 PolarHBondContact N-O 3.42Å; V108-R145 VanDerWaalsContact N-O 3.14Å; R145-G147 PolarHBondContact O-N 2.94Å; R145-Q208 HydrophobicContact CB-CB 4.12Å; R145-Q208 HydrophobicContact CG-CB 3.8Å; R145-Q208 VanDerWaalsContact CZ-OE1 3.27Å; R145-Q208 VanDerWaalsContact NE-CD 3.27Å; R145-Q208 VanDerWaalsContact NH2-NE2 3.12Å; R145-N211 PolarHBondContact NH2-OD1 3.24Å; R145-S242 PolarHBondContact NH2-OG 3.07Å; R145-E286 IonicContact CZ-OE1 3.93Å; R145-E286 IonicContact NH1-OE1 2.76Å; R145-E286 PolarHBondContact NH1-OE1 2.89Å; R145-E286 IonicContact NH2-OE1 3.94Å; R145-E286 PolarHBondContact NH2-OE1 2.94Å
146	P	98.4	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.			trans	-73.3	-4.8	-166.2	30.4	-37.7	0	0	0	115.3	L144 L189 V207 Q208 L230	L144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-L189 HydrophobicContact CB-CD2 3.69Å; P146-V207 HydrophobicContact CG-CG1 3.77Å; P146-Q208 VanDerWaalsContact CD-O 3.31Å; P146-Q208 WeakPolarHBondContact CD-O 3.23Å; P146-L230 HydrophobicContact CG-CD2 4.02Å
147	G	95.6	Very high	98.4	Very high	4 Å²	4	11.8 Å²	11.8	4%	0.041	7%	0.073	C	C	.	.			trans	87.4	-145.2	-173.3	0	0	0	0	0	112	R145	R145-G147 PolarHBondContact O-N 2.94Å
148	P	98.1	Very high	98.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	S	Bend	cis	-75.5	-21.5	17.9	30	-36.4	0	0	0	114	W110 L159 F178 V182 F186 Y222 I226	W110-P148 HydrophobicContact CE3-CB 3.64Å; W110-P148 HydrophobicContact CZ3-CB 3.75Å; P148-L159 WeakPolarHBondContact O-CD2 3.45Å; P148-F178 HydrophobicContact CG-CZ 4.34Å; P148-V182 HydrophobicContact CB-CG1 4.24Å; P148-V182 HydrophobicContact CB-CG2 3.88Å; P148-V182 HydrophobicContact CG-CG1 3.98Å; P148-V182 HydrophobicContact CG-CG2 3.71Å; P148-F186 HydrophobicContact CB-CE1 4.25Å; P148-F186 HydrophobicContact CB-CZ 4.44Å; P148-Y222 WeakPolarHBondContact CG-OH 3.4Å; P148-I226 HydrophobicContact CG-CD1 3.99Å
149	Y	98.8	Very high	98.4	Very high	1 Å²	1	6.3 Å²	6.3	0%	0.004	4%	0.037	C	C	.	.			trans	-104.4	135	171.5	167.1	-89.5	0	0	0	109.8	C151 L159 R172 N211 N505 Y506 L510	Y149-C151 HydrophobicContact CE1-CB 3.78Å; Y149-L159 HydrophobicContact CD2-CD1 3.93Å; Y149-L159 HydrophobicContact CD2-CG 4.14Å; Y149-R172 VanDerWaalsContact CE1-CZ 3.4Å; Y149-R172 VanDerWaalsContact CE1-NH1 3.34Å; Y149-R172 HydrophobicContact CG-CG 4.41Å; Y149-N211 HydrophobicContact CD1-CB 4.34Å; Y149-N211 WeakPolarHBondContact O-CB 3.42Å; Y149-N505 WeakPolarHBondContact CE2-O 3.35Å; Y149-N505 VanDerWaalsContact CZ-O 3.25Å; Y149-N505 PolarHBondContact OH-O 2.8Å; Y149-Y506 WeakPolarHBondContact OH-CA 3.05Å; Y149-L510 HydrophobicContact CD2-CD1 4.21Å; Y149-L510 HydrophobicContact CE2-CD1 3.7Å; Y149-L510 HydrophobicContact CE2-CD2 4.32Å
150	I	98.8	Very high	98.5	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.			trans	-121	-8.6	-174.7	63	167.3	0	0	0	113.9	F82 Y107 P109 A152 G157 N211	F82-I150 HydrophobicContact CZ-CD1 4.07Å; Y107-I150 HydrophobicContact CD1-CB 3.55Å; Y107-I150 HydrophobicContact CD1-CG2 3.47Å; Y107-I150 VanDerWaalsContact CD1-CG2 3.47Å; Y107-I150 HydrophobicContact CD2-CB 4.27Å; Y107-I150 HydrophobicContact CE1-CB 3.92Å; Y107-I150 HydrophobicContact CE1-CG2 4.14Å; Y107-I150 HydrophobicContact CG-CB 3.75Å; Y107-I150 HydrophobicContact CG-CD1 4.32Å; Y107-I150 HydrophobicContact CG-CG2 3.93Å; Y107-I150 PolarHBondContact OH-O 2.85Å; P109-I150 HydrophobicContact CB-CD1 4.29Å; I150-A152 HydrophobicContact CD1-CB 4.25Å; I150-A152 HydrophobicContact CG1-CB 4.3Å; I150-A152 WeakPolarHBondContact O-CB 3.08Å; I150-A152 PolarHBondContact O-N 3.03Å; I150-G157 VanDerWaalsContact CG1-O 3.28Å; I150-G157 WeakPolarHBondContact CG1-O 3.44Å; I150-G157 PolarHBondContact N-O 3.45Å; I150-N211 PolarHBondContact O-ND2 3.27Å
151	C	98.1	Very high	98.4	Very high	7 Å²	7	5 Å²	5	5%	0.047	2%	0.023	C	C	.	.			trans	54.1	-97.1	-169.9	-175.5	0	0	0	0	111.1	Y149 E153 W154 G157 N211 N505	Y149-C151 HydrophobicContact CE1-CB 3.78Å; C151-E153 PolarHBondContact O-N 3Å; C151-E153 VanDerWaalsContact O-N 3.09Å; C151-W154 PolarHBondContact O-N 2.96Å; C151-W154 VanDerWaalsContact O-N 3.13Å; C151-G157 PolarHBondContact N-O 3.3Å; C151-G157 WeakPolarHBondContact O-CA 3.36Å; C151-N211 WeakPolarHBondContact CB-ND2 3.46Å; C151-N505 PolarHBondContact SG-OD1 3.03Å
152	A	97.8	Very high	98.4	Very high	2 Å²	2	2.4 Å²	2.4	2%	0.017	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	25	169.4	0	0	0	0	0	115	R83 Y107 I150 W154 Y324	R83-A152 VanDerWaalsContact CZ-O 3.3Å; R83-A152 PolarHBondContact NH1-O 3.14Å; R83-A152 PolarHBondContact NH2-O 2.94Å; Y107-A152 HydrophobicContact CD2-CB 3.75Å; Y107-A152 HydrophobicContact CE2-CB 3.77Å; I150-A152 HydrophobicContact CD1-CB 4.25Å; I150-A152 HydrophobicContact CG1-CB 4.3Å; I150-A152 WeakPolarHBondContact O-CB 3.08Å; I150-A152 PolarHBondContact O-N 3.03Å; A152-W154 HydrophobicContact CB-CB 4.47Å; A152-W154 PolarHBondContact O-N 3.45Å; A152-Y324 WeakPolarHBondContact CA-OH 3.28Å
153	E	98.4	Very high	98.4	Very high	19 Å²	19	2.5 Å²	2.5	9%	0.089	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.2	-176.9	-69.1	66.1	-99.7	0	0	112.6	R83 C151 F292 G337 M349 Y353	R83-E153 PolarHBondContact NH2-O 3.33Å; C151-E153 PolarHBondContact O-N 3Å; C151-E153 VanDerWaalsContact O-N 3.09Å; E153-F292 HydrophobicContact CG-CB 3.99Å; E153-F292 HydrophobicContact CG-CD1 3.35Å; E153-F292 HydrophobicContact CG-CD2 4.2Å; E153-F292 HydrophobicContact CG-CE1 3.79Å; E153-F292 HydrophobicContact CG-CG 3.57Å; E153-F292 HydrophobicContact CG-CZ 4.4Å; E153-G337 PolarHBondContact O-N 3.28Å; E153-M349 VanDerWaalsContact CA-SD 3.52Å; E153-M349 HydrophobicContact CB-CE 3.94Å; E153-M349 HydrophobicContact CB-SD 3.34Å; E153-M349 WeakPolarHBondContact CB-SD 3.45Å; E153-M349 HydrophobicContact CG-CE 3.52Å; E153-M349 HydrophobicContact CG-SD 3.6Å; E153-Y353 HydrophobicContact CB-CD2 4.45Å; E153-Y353 HydrophobicContact CB-CE2 3.51Å; E153-Y353 HydrophobicContact CG-CE2 3.96Å; E153-Y353 PolarHBondContact OE2-OH 3.13Å
154	W	98.8	Very high	98.3	Very high	3 Å²	3	2.4 Å²	2.4	1%	0.011	1%	0.013	C	C	.	.	B	Isolated β-bridge	trans	-107.7	150.2	-173.5	-170.2	-101	0	0	0	110.4	F82 R83 N111 L112 C151 A152 F156 G157 M335 N505	F82-W154 HydrophobicContact CD2-CD2 4.18Å; F82-W154 AromaticContact CD2-CE3 3.96Å; F82-W154 HydrophobicContact CD2-CE3 3.96Å; F82-W154 AromaticContact CD2-CH2 3.52Å; F82-W154 HydrophobicContact CD2-CH2 3.52Å; F82-W154 AromaticContact CD2-CZ2 3.77Å; F82-W154 HydrophobicContact CD2-CZ2 3.77Å; F82-W154 AromaticContact CD2-CZ3 3.64Å; F82-W154 HydrophobicContact CD2-CZ3 3.64Å; F82-W154 AromaticContact CE2-CD2 3.91Å; F82-W154 HydrophobicContact CE2-CD2 3.91Å; F82-W154 AromaticContact CE2-CE3 3.77Å; F82-W154 HydrophobicContact CE2-CE3 3.77Å; F82-W154 HydrophobicContact CE2-CH2 4.2Å; F82-W154 HydrophobicContact CE2-CZ2 4.34Å; F82-W154 AromaticContact CE2-CZ3 3.93Å; F82-W154 HydrophobicContact CE2-CZ3 3.93Å; F82-W154 HydrophobicContact CG-CH2 4.48Å; R83-W154 HydrophobicContact CG-CE3 4.49Å; R83-W154 HydrophobicContact CG-CZ3 3.88Å; N111-W154 PolarHBondContact ND2-NE1 2.89Å; N111-W154 PolarHBondContact OD1-NE1 2.8Å; L112-W154 HydrophobicContact CD1-CH2 4.29Å; L112-W154 HydrophobicContact CD1-CZ2 3.6Å; L112-W154 HydrophobicContact CG-CZ2 4.05Å; C151-W154 PolarHBondContact O-N 2.96Å; C151-W154 VanDerWaalsContact O-N 3.13Å; A152-W154 HydrophobicContact CB-CB 4.47Å; A152-W154 PolarHBondContact O-N 3.45Å; W154-F156 PolarHBondContact O-N 3.07Å; W154-G157 PolarHBondContact O-N 2.85Å; W154-M335 CarbonylContact C-O 2.94Å; W154-M335 HydrophobicContact CD2-CB 4.03Å; W154-M335 HydrophobicContact CE3-CB 3.86Å; W154-M335 HydrophobicContact CH2-CB 3.2Å; W154-M335 HydrophobicContact CH2-CG 3.44Å; W154-M335 VanDerWaalsContact CH2-CG 3.44Å; W154-M335 HydrophobicContact CH2-SD 4.36Å; W154-M335 HydrophobicContact CZ2-CB 3.35Å; W154-M335 HydrophobicContact CZ2-CG 3.35Å; W154-M335 HydrophobicContact CZ2-SD 3.66Å; W154-M335 HydrophobicContact CZ3-CB 3.46Å; W154-M335 VanDerWaalsContact CZ3-CB 3.46Å; W154-M335 HydrophobicContact CZ3-CG 4.22Å; W154-N505 WeakPolarHBondContact O-CB 3.36Å
155	D	98.7	Very high	98.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-49.2	122	-177.8	-173.1	78.8	0	0	0	110.6	N111 G157 G158 M335 Y439 R503	N111-D155 PolarHBondContact ND2-O 2.92Å; N111-D155 VanDerWaalsContact ND2-O 3.14Å; D155-G157 PolarHBondContact O-N 3.36Å; D155-G157 VanDerWaalsContact O-N 3.13Å; D155-G158 PolarHBondContact O-N 2.92Å; D155-M335 PolarHBondContact N-O 3.33Å; D155-Y439 HydrophobicContact CB-CE1 4.31Å; D155-Y439 WeakPolarHBondContact OD2-CE1 3.3Å; D155-R503 PolarHBondContact OD1-N 2.86Å; D155-R503 IonicContact OD1-NH1 2.75Å; D155-R503 IonicContact OD2-NH1 3.82Å; D155-R503 PolarHBondContact OD2-NH1 2.92Å
156	F	98.6	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	58	25.2	177.6	-153.8	-164.7	0	0	0	115.3	W154 G158 L159 L164 L171 R503 L510 Q513	W154-F156 PolarHBondContact O-N 3.07Å; F156-G158 PolarHBondContact O-N 2.76Å; F156-L159 WeakPolarHBondContact CB-O 3.39Å; F156-L159 HydrophobicContact CD1-CB 3.86Å; F156-L159 WeakPolarHBondContact CD1-O 3.39Å; F156-L159 HydrophobicContact CE1-CB 4.14Å; F156-L159 HydrophobicContact CG-CB 4.12Å; F156-L159 WeakPolarHBondContact O-CB 3.41Å; F156-L159 PolarHBondContact O-N 2.8Å; F156-L159 VanDerWaalsContact O-N 3.1Å; F156-L164 HydrophobicContact CE1-CD1 3.76Å; F156-L164 HydrophobicContact CE1-CD2 4.43Å; F156-L164 HydrophobicContact CE1-CG 3.77Å; F156-L164 HydrophobicContact CE2-CD1 4.27Å; F156-L164 HydrophobicContact CZ-CD1 3.5Å; F156-L164 HydrophobicContact CZ-CD2 3.76Å; F156-L164 HydrophobicContact CZ-CG 3.55Å; F156-L171 HydrophobicContact CE1-CD1 4.43Å; F156-L171 HydrophobicContact CE2-CD1 3.58Å; F156-L171 HydrophobicContact CZ-CD1 3.34Å; F156-R503 HydrophobicContact CB-CB 3.74Å; F156-R503 HydrophobicContact CB-CG 4.34Å; F156-R503 HydrophobicContact CD2-CB 4.17Å; F156-R503 HydrophobicContact CG-CB 4.1Å; F156-R503 HydrophobicContact CG-CG 4.47Å; F156-L510 HydrophobicContact CD2-CD2 4.36Å; F156-L510 HydrophobicContact CE2-CB 4.18Å; F156-L510 HydrophobicContact CE2-CD2 4.48Å; F156-L510 VanDerWaalsContact CE2-O 3.27Å; F156-L510 WeakPolarHBondContact CE2-O 3.39Å; F156-Q513 HydrophobicContact CD2-CB 4.25Å; F156-Q513 HydrophobicContact CD2-CG 4.44Å; F156-Q513 HydrophobicContact CE2-CB 3.98Å; F156-Q513 HydrophobicContact CE2-CG 4.28Å
157	G	98.5	Very high	97.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	63.4	27.1	-176.8	0	0	0	0	0	112.9	I150 C151 W154 D155 L159	I150-G157 VanDerWaalsContact CG1-O 3.28Å; I150-G157 WeakPolarHBondContact CG1-O 3.44Å; I150-G157 PolarHBondContact N-O 3.45Å; C151-G157 PolarHBondContact N-O 3.3Å; C151-G157 WeakPolarHBondContact O-CA 3.36Å; W154-G157 PolarHBondContact O-N 2.85Å; D155-G157 PolarHBondContact O-N 3.36Å; D155-G157 VanDerWaalsContact O-N 3.13Å; G157-L159 VanDerWaalsContact C-N 3.29Å; G157-L159 PolarHBondContact O-N 3.38Å
158	G	98.6	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	79.6	2	-175.6	0	0	0	0	0	114.7	W110 N111 D155 F156	W110-G158 CarbonylContact C-O 3.51Å; W110-G158 WeakPolarHBondContact CA-O 3.32Å; W110-G158 VanDerWaalsContact CB-O 3.3Å; W110-G158 WeakPolarHBondContact CB-O 3.47Å; W110-G158 PolarHBondContact N-O 3.42Å; N111-G158 WeakPolarHBondContact CB-O 3.42Å; N111-G158 PolarHBondContact N-O 2.86Å; D155-G158 PolarHBondContact O-N 2.92Å; F156-G158 PolarHBondContact O-N 2.76Å
159	L	98.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.			trans	-78.8	140.6	175.6	-61.5	174.8	0	0	0	110.8	W110 N111 P148 Y149 F156 G157 L163 L171 F178	W110-L159 HydrophobicContact CE3-CD2 3.64Å; W110-L159 HydrophobicContact CZ3-CD2 3.84Å; N111-L159 WeakPolarHBondContact CB-O 3Å; P148-L159 WeakPolarHBondContact O-CD2 3.45Å; Y149-L159 HydrophobicContact CD2-CD1 3.93Å; Y149-L159 HydrophobicContact CD2-CG 4.14Å; F156-L159 WeakPolarHBondContact CB-O 3.39Å; F156-L159 HydrophobicContact CD1-CB 3.86Å; F156-L159 WeakPolarHBondContact CD1-O 3.39Å; F156-L159 HydrophobicContact CE1-CB 4.14Å; F156-L159 HydrophobicContact CG-CB 4.12Å; F156-L159 WeakPolarHBondContact O-CB 3.41Å; F156-L159 PolarHBondContact O-N 2.8Å; F156-L159 VanDerWaalsContact O-N 3.1Å; G157-L159 VanDerWaalsContact C-N 3.29Å; G157-L159 PolarHBondContact O-N 3.38Å; L159-L163 HydrophobicContact CB-CD1 4.11Å; L159-L163 HydrophobicContact CD2-CD1 4.48Å; L159-L171 HydrophobicContact CD1-CB 4.32Å; L159-L171 HydrophobicContact CD1-CD1 4.22Å; L159-L171 HydrophobicContact CD1-CD2 4.2Å; L159-L171 HydrophobicContact CD1-CG 4.47Å; L159-F178 HydrophobicContact CD2-CE2 4.16Å; L159-F178 HydrophobicContact CD2-CZ 4.29Å
160	P	98.4	Very high	97.9	Very high	2 Å²	2	26 Å²	26	1%	0.013	12%	0.124	C	C	.	.			trans	-71.3	137.5	176.4	22.6	-29	0	0	0	112.1	W110 N111 W162 L163	W110-P160 HydrophobicContact CD2-CG 3.87Å; W110-P160 HydrophobicContact CE3-CG 4.44Å; W110-P160 HydrophobicContact CG-CG 4.16Å; W110-P160 HydrophobicContact CZ2-CG 4.12Å; N111-P160 HydrophobicContact CB-CB 4.43Å; P160-W162 HydrophobicContact CB-CD2 4.09Å; P160-W162 VanDerWaalsContact CB-CE2 3.49Å; P160-W162 HydrophobicContact CB-CG 4.15Å; P160-W162 HydrophobicContact CB-CZ2 3.97Å; P160-W162 HydrophobicContact CG-CD2 4.21Å; P160-W162 VanDerWaalsContact CG-CE2 3.47Å; P160-W162 HydrophobicContact CG-CH2 4.09Å; P160-W162 HydrophobicContact CG-CZ2 3.4Å; P160-W162 PolarHBondContact O-N 2.76Å; P160-L163 HydrophobicContact CG-CD1 3.88Å; P160-L163 HydrophobicContact CG-CG 4.08Å; P160-L163 WeakPolarHBondContact O-CB 3.36Å; P160-L163 WeakPolarHBondContact O-CG 3.46Å; P160-L163 PolarHBondContact O-N 3.5Å
161	S	98	Very high	97.9	Very high	2 Å²	2	26 Å²	26	1%	0.014	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-65	-24.6	-177.9	60.7	0	0	0	0	113.9	L163 L164 S438	S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 VanDerWaalsContact O-N 3.1Å; S161-L164 WeakPolarHBondContact O-CB 3.4Å; S161-L164 PolarHBondContact O-N 3.26Å; S161-S438 WeakPolarHBondContact OG-CA 3.46Å; S161-S438 WeakPolarHBondContact OG-CB 3.14Å; S161-S438 PolarHBondContact OG-OG 2.91Å
162	W	98.1	Very high	97.9	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.03	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16.7	177.5	58	-111.5	0	0	0	112.6	W110 E114 R117 P160 L164 R165 A181 N435	W110-W162 AromaticContact CZ2-CH2 3.9Å; W110-W162 HydrophobicContact CZ2-CH2 3.9Å; W110-W162 HydrophobicContact CZ2-CZ2 4.16Å; E114-W162 VanDerWaalsContact CD-CZ2 3.49Å; E114-W162 HydrophobicContact CG-CZ2 4.01Å; E114-W162 PolarHBondContact O-NE1 2.96Å; R117-W162 HydrophobicContact CB-CD2 3.9Å; R117-W162 HydrophobicContact CB-CE3 4.08Å; R117-W162 HydrophobicContact CB-CG 4.37Å; R117-W162 HydrophobicContact CB-CH2 4.48Å; R117-W162 HydrophobicContact CB-CZ2 4.29Å; R117-W162 HydrophobicContact CB-CZ3 4.39Å; R117-W162 HydrophobicContact CG-CE3 4.34Å; R117-W162 HydrophobicContact CG-CH2 4.27Å; R117-W162 HydrophobicContact CG-CZ2 4.49Å; R117-W162 HydrophobicContact CG-CZ3 4.21Å; R117-W162 VanDerWaalsContact CZ-CZ3 3.49Å; R117-W162 VanDerWaalsContact NE-CZ3 3.3Å; P160-W162 HydrophobicContact CB-CD2 4.09Å; P160-W162 VanDerWaalsContact CB-CE2 3.49Å; P160-W162 HydrophobicContact CB-CG 4.15Å; P160-W162 HydrophobicContact CB-CZ2 3.97Å; P160-W162 HydrophobicContact CG-CD2 4.21Å; P160-W162 VanDerWaalsContact CG-CE2 3.47Å; P160-W162 HydrophobicContact CG-CH2 4.09Å; P160-W162 HydrophobicContact CG-CZ2 3.4Å; P160-W162 PolarHBondContact O-N 2.76Å; W162-L164 PolarHBondContact O-N 2.93Å; W162-R165 WeakPolarHBondContact O-CB 3.42Å; W162-R165 WeakPolarHBondContact O-CG 3.46Å; W162-R165 PolarHBondContact O-N 2.82Å; W162-A181 HydrophobicContact CH2-CB 3.88Å; W162-A181 HydrophobicContact CZ3-CB 4.06Å; W162-N435 HydrophobicContact CB-CB 4.46Å
163	L	98.5	Very high	97.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-58.5	-35.5	170	-72.2	166.9	0	0	0	111.9	W110 L159 P160 S161 R165 D166 M169 L171 F178 A181	W110-L163 HydrophobicContact CH2-CD1 4.13Å; W110-L163 HydrophobicContact CH2-CD2 4.29Å; W110-L163 HydrophobicContact CZ3-CD1 4.09Å; L159-L163 HydrophobicContact CB-CD1 4.11Å; L159-L163 HydrophobicContact CD2-CD1 4.48Å; P160-L163 HydrophobicContact CG-CD1 3.88Å; P160-L163 HydrophobicContact CG-CG 4.08Å; P160-L163 WeakPolarHBondContact O-CB 3.36Å; P160-L163 WeakPolarHBondContact O-CG 3.46Å; P160-L163 PolarHBondContact O-N 3.5Å; S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 VanDerWaalsContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 3.31Å; L163-D166 PolarHBondContact O-N 3.28Å; L163-M169 HydrophobicContact CB-CE 4.27Å; L163-M169 HydrophobicContact CD2-CE 4.03Å; L163-M169 VanDerWaalsContact O-CE 3.29Å; L163-M169 WeakPolarHBondContact O-CE 3.36Å; L163-L171 HydrophobicContact CB-CD2 4.12Å; L163-L171 HydrophobicContact CD1-CD2 3.93Å; L163-F178 HydrophobicContact CD1-CD2 4.37Å; L163-F178 HydrophobicContact CD1-CE2 4.16Å; L163-F178 HydrophobicContact CD2-CD2 4.35Å; L163-A181 HydrophobicContact CD2-CB 3.67Å
164	L	98.1	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-77.4	-1.4	-177.5	-64.2	177.7	0	0	0	113.9	F156 S161 W162 D166 L171 E427 Q513 R514	F156-L164 HydrophobicContact CE1-CD1 3.76Å; F156-L164 HydrophobicContact CE1-CD2 4.43Å; F156-L164 HydrophobicContact CE1-CG 3.77Å; F156-L164 HydrophobicContact CE2-CD1 4.27Å; F156-L164 HydrophobicContact CZ-CD1 3.5Å; F156-L164 HydrophobicContact CZ-CD2 3.76Å; F156-L164 HydrophobicContact CZ-CG 3.55Å; S161-L164 WeakPolarHBondContact O-CB 3.4Å; S161-L164 PolarHBondContact O-N 3.26Å; W162-L164 PolarHBondContact O-N 2.93Å; L164-D166 PolarHBondContact O-N 2.94Å; L164-L171 HydrophobicContact CD2-CD1 4.27Å; L164-E427 HydrophobicContact CB-CB 4.42Å; L164-E427 HydrophobicContact CB-CG 4.12Å; L164-Q513 VanDerWaalsContact CD1-C 3.42Å; L164-Q513 HydrophobicContact CD1-CB 4.13Å; L164-Q513 WeakPolarHBondContact CD1-O 3.44Å; L164-R514 HydrophobicContact CB-CG 3.91Å; L164-R514 HydrophobicContact CD1-CG 4.12Å; L164-R514 PolarHBondContact O-NE 3.08Å; L164-R514 PolarHBondContact O-NH2 3.48Å; L164-R514 VanDerWaalsContact O-NH2 3.13Å
165	R	96.5	Very high	97.9	Very high	57 Å²	57	30.8 Å²	30.8	22%	0.215	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63.6	-33.9	168.4	-69	-176.4	64.9	93.7	-4	111.8	W162 L163 Q167 E427 N428 L429 N434	W162-R165 WeakPolarHBondContact O-CB 3.42Å; W162-R165 WeakPolarHBondContact O-CG 3.46Å; W162-R165 PolarHBondContact O-N 2.82Å; L163-R165 PolarHBondContact O-N 3.31Å; R165-Q167 PolarHBondContact O-N 3.22Å; R165-E427 WeakPolarHBondContact CD-O 3.3Å; R165-E427 HydrophobicContact CG-CB 4.36Å; R165-E427 WeakPolarHBondContact CG-O 3.46Å; R165-E427 PolarHBondContact NH1-O 2.92Å; R165-N428 PolarHBondContact O-OD1 3.33Å; R165-L429 PolarHBondContact NH1-O 3.39Å; R165-L429 VanDerWaalsContact NH1-O 3.07Å; R165-N434 PolarHBondContact NE-O 2.82Å; R165-N434 PolarHBondContact NH1-O 3.17Å; R165-N434 VanDerWaalsContact NH2-CG 3.28Å; R165-N434 PolarHBondContact NH2-O 2.88Å; R165-N434 PolarHBondContact NH2-OD1 3.35Å
166	D	96.5	Very high	97.9	Very high	46 Å²	46	34.1 Å²	34.1	25%	0.246	17%	0.171	C	C	.	.	S	Bend	trans	-69.2	114.6	167.5	-177.5	-5.5	0	0	0	108.8	L163 L164 N168 M169 Y175 R514	L163-D166 PolarHBondContact O-N 3.28Å; L164-D166 PolarHBondContact O-N 2.94Å; D166-N168 PolarHBondContact O-N 2.96Å; D166-N168 PolarHBondContact OD1-N 3.39Å; D166-M169 HydrophobicContact CB-CB 4.2Å; D166-M169 HydrophobicContact CB-CE 3.93Å; D166-M169 WeakPolarHBondContact O-CB 3.29Å; D166-M169 PolarHBondContact O-N 3.43Å; D166-Y175 WeakPolarHBondContact OD2-CE1 3.49Å; D166-Y175 VanDerWaalsContact OD2-CZ 3.28Å; D166-Y175 PolarHBondContact OD2-OH 3.46Å; D166-R514 PolarHBondContact O-NH2 3.16Å
167	Q	94.3	Very high	97.9	Very high	151 Å²	151	34.9 Å²	34.9	71%	0.706	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.8	179.8	-66.6	-177.8	-3	0	0	112.5	R165 R514	R165-Q167 PolarHBondContact O-N 3.22Å; Q167-R514 PolarHBondContact O-NH2 2.8Å
168	N	96.4	Very high	97.9	Very high	115 Å²	115	34.9 Å²	34.9	62%	0.615	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	11	-178	-57	-57.2	0	0	0	113	D166 K170	D166-N168 PolarHBondContact O-N 2.96Å; D166-N168 PolarHBondContact OD1-N 3.39Å; N168-K170 PolarHBondContact O-N 3.02Å
169	M	97.7	Very high	97.9	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.054	18%	0.183	C	C	.	.			trans	-52.6	135.6	-177.3	-175.8	52.3	66.4	0	0	111.9	L163 D166 L171 Y175 F178	L163-M169 HydrophobicContact CB-CE 4.27Å; L163-M169 HydrophobicContact CD2-CE 4.03Å; L163-M169 VanDerWaalsContact O-CE 3.29Å; L163-M169 WeakPolarHBondContact O-CE 3.36Å; D166-M169 HydrophobicContact CB-CB 4.2Å; D166-M169 HydrophobicContact CB-CE 3.93Å; D166-M169 WeakPolarHBondContact O-CB 3.29Å; D166-M169 PolarHBondContact O-N 3.43Å; M169-L171 HydrophobicContact CG-CD2 3.57Å; M169-L171 HydrophobicContact CG-CG 3.87Å; M169-L171 HydrophobicContact SD-CD2 3.9Å; M169-Y175 HydrophobicContact CE-CE1 4.26Å; M169-Y175 HydrophobicContact SD-CD1 4.02Å; M169-Y175 HydrophobicContact SD-CE1 4.17Å; M169-F178 HydrophobicContact SD-CB 3.81Å; M169-F178 HydrophobicContact SD-CD2 4.2Å; M169-F178 HydrophobicContact SD-CG 4.44Å
170	K	97.9	Very high	97.9	Very high	121 Å²	121	40.1 Å²	40.1	53%	0.526	21%	0.207	S	C	.	.			trans	-129.5	91.3	173.5	-62.5	179.3	-177.4	-178.4	0	108.5	N168 T173 Y175	N168-K170 PolarHBondContact O-N 3.02Å; K170-T173 HydrophobicContact CB-CG2 4.21Å; K170-T173 WeakPolarHBondContact CB-OG1 3.39Å; K170-T173 PolarHBondContact O-OG1 3.16Å; K170-Y175 HydrophobicContact CB-CG 4.23Å
171	L	98.4	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	148.4	-175.4	-57.9	163.6	0	0	0	110.2	F156 L159 L163 L164 M169 T173 F178 Y216 L510 D511	F156-L171 HydrophobicContact CE1-CD1 4.43Å; F156-L171 HydrophobicContact CE2-CD1 3.58Å; F156-L171 HydrophobicContact CZ-CD1 3.34Å; L159-L171 HydrophobicContact CD1-CB 4.32Å; L159-L171 HydrophobicContact CD1-CD1 4.22Å; L159-L171 HydrophobicContact CD1-CD2 4.2Å; L159-L171 HydrophobicContact CD1-CG 4.47Å; L163-L171 HydrophobicContact CB-CD2 4.12Å; L163-L171 HydrophobicContact CD1-CD2 3.93Å; L164-L171 HydrophobicContact CD2-CD1 4.27Å; M169-L171 HydrophobicContact CG-CD2 3.57Å; M169-L171 HydrophobicContact CG-CG 3.87Å; M169-L171 HydrophobicContact SD-CD2 3.9Å; L171-T173 PolarHBondContact O-N 3.29Å; L171-F178 HydrophobicContact CB-CE2 4.41Å; L171-F178 HydrophobicContact CD2-CD2 3.7Å; L171-F178 HydrophobicContact CD2-CE2 3.76Å; L171-Y216 WeakPolarHBondContact O-CE1 3.28Å; L171-Y216 PolarHBondContact O-OH 3.1Å; L171-L510 HydrophobicContact CD1-CB 3.73Å; L171-D511 VanDerWaalsContact CB-OD1 3.3Å; L171-D511 WeakPolarHBondContact CB-OD1 3.22Å; L171-D511 WeakPolarHBondContact CD1-OD1 3.48Å; L171-D511 VanDerWaalsContact CG-OD1 3.22Å; L171-D511 WeakPolarHBondContact CG-OD1 3.37Å; L171-D511 PolarHBondContact N-OD1 2.91Å
172	R	98.1	Very high	97.9	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.011	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	40	178.2	-50.9	175.7	70.6	-164.1	1.9	112.4	Y149 F178 E210 N211 Y213 Y216 Y222	Y149-R172 VanDerWaalsContact CE1-CZ 3.4Å; Y149-R172 VanDerWaalsContact CE1-NH1 3.34Å; Y149-R172 HydrophobicContact CG-CG 4.41Å; R172-F178 VanDerWaalsContact CA-CE1 3.5Å; R172-F178 HydrophobicContact CG-CZ 4.46Å; R172-E210 IonicContact CZ-OE1 3.02Å; R172-E210 IonicContact CZ-OE2 3.83Å; R172-E210 IonicContact NE-OE1 3.85Å; R172-E210 PolarHBondContact NE-OE1 2.98Å; R172-E210 IonicContact NE-OE2 2.8Å; R172-E210 IonicContact NH2-OE1 2.86Å; R172-E210 PolarHBondContact NH2-OE1 3.02Å; R172-E210 IonicContact NH2-OE2 2.61Å; R172-E210 PolarHBondContact NH2-OE2 3.04Å; R172-N211 PolarHBondContact NH2-O 3.29Å; R172-Y213 HydrophobicContact CB-CE2 4.19Å; R172-Y213 WeakPolarHBondContact O-CE2 3.45Å; R172-Y213 PolarHBondContact O-OH 3.23Å; R172-Y216 HydrophobicContact CB-CD1 3.94Å; R172-Y216 HydrophobicContact CB-CE1 3.8Å; R172-Y216 VanDerWaalsContact NH1-CB 3.34Å; R172-Y222 HydrophobicContact CB-CE1 4Å
173	T	98.6	Very high	98	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.08	21%	0.214	C	C	.	.	S	Bend	trans	-136.9	176.9	173	72.5	0	0	0	0	110.2	K170 L171 Y175 F178 Y216 K218 D219 Y222	K170-T173 HydrophobicContact CB-CG2 4.21Å; K170-T173 WeakPolarHBondContact CB-OG1 3.39Å; K170-T173 PolarHBondContact O-OG1 3.16Å; L171-T173 PolarHBondContact O-N 3.29Å; T173-Y175 PolarHBondContact O-N 3.41Å; T173-Y175 WeakPolarHBondContact OG1-CB 3.45Å; T173-Y175 PolarHBondContact OG1-N 2.92Å; T173-F178 WeakPolarHBondContact O-CD1 3.34Å; T173-Y216 HydrophobicContact CG2-CE1 4.49Å; T173-K218 HydrophobicContact CG2-CB 4.38Å; T173-D219 HydrophobicContact CG2-CB 4.12Å; T173-Y222 WeakPolarHBondContact O-CD2 3.12Å
174	T	98.6	Very high	98	Very high	56 Å²	56	43.2 Å²	43.2	34%	0.344	23%	0.227	S	C	.	.	S	Bend	trans	-81.9	16.9	173.2	58.3	0	0	0	0	113.9	S176 D219 K221 F225	T174-S176 PolarHBondContact O-N 2.9Å; T174-D219 WeakPolarHBondContact CB-OD2 3.34Å; T174-D219 PolarHBondContact N-OD2 2.91Å; T174-D219 PolarHBondContact OG1-OD2 2.93Å; T174-K221 HydrophobicContact CG2-CB 3.69Å; T174-F225 HydrophobicContact CG2-CB 4.49Å
175	Y	98.6	Very high	98	Very high	60 Å²	60	43.2 Å²	43.2	24%	0.235	23%	0.227	C	C	.	.			trans	-59.8	123.1	171.5	175	-110.6	0	0	0	110.8	D166 M169 K170 T173 G177 F178 T179	D166-Y175 WeakPolarHBondContact OD2-CE1 3.49Å; D166-Y175 VanDerWaalsContact OD2-CZ 3.28Å; D166-Y175 PolarHBondContact OD2-OH 3.46Å; M169-Y175 HydrophobicContact CE-CE1 4.26Å; M169-Y175 HydrophobicContact SD-CD1 4.02Å; M169-Y175 HydrophobicContact SD-CE1 4.17Å; K170-Y175 HydrophobicContact CB-CG 4.23Å; T173-Y175 PolarHBondContact O-N 3.41Å; T173-Y175 WeakPolarHBondContact OG1-CB 3.45Å; T173-Y175 PolarHBondContact OG1-N 2.92Å; Y175-G177 VanDerWaalsContact C-N 3.3Å; Y175-G177 PolarHBondContact O-N 2.89Å; Y175-G177 VanDerWaalsContact O-N 3.15Å; Y175-F178 HydrophobicContact CD1-CB 4.32Å; Y175-F178 WeakPolarHBondContact O-CA 3.14Å; Y175-F178 WeakPolarHBondContact O-CB 3.4Å; Y175-F178 PolarHBondContact O-N 3.24Å; Y175-T179 PolarHBondContact O-N 3.41Å; Y175-T179 PolarHBondContact O-OG1 3.07Å
176	S	98.3	Very high	98.1	Very high	70 Å²	70	40.5 Å²	40.5	49%	0.49	22%	0.217	S	C	.	.	H	α-helix	trans	-49.2	-44.7	-173.5	52.7	0	0	0	0	114.1	T174 F178 T179 D180	T174-S176 PolarHBondContact O-N 2.9Å; S176-F178 PolarHBondContact O-N 3.01Å; S176-T179 WeakPolarHBondContact CA-OG1 3.23Å; S176-T179 PolarHBondContact O-N 3.45Å; S176-T179 PolarHBondContact O-OG1 3.28Å; S176-D180 VanDerWaalsContact O-CB 3.26Å; S176-D180 WeakPolarHBondContact O-CB 3.43Å; S176-D180 PolarHBondContact O-N 3.27Å
177	G	98.1	Very high	98.2	Very high	16 Å²	16	42.3 Å²	42.3	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-30.5	178.8	0	0	0	0	0	113.8	Y175	Y175-G177 VanDerWaalsContact C-N 3.3Å; Y175-G177 PolarHBondContact O-N 2.89Å; Y175-G177 VanDerWaalsContact O-N 3.15Å
178	F	98.8	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-81.1	-49.1	173.8	-173.8	-111.6	0	0	0	111.4	W110 P148 L159 L163 M169 L171 R172 T173 Y175 S176 D180 A181 V182 Y222	W110-F178 HydrophobicContact CZ3-CE2 4.08Å; W110-F178 HydrophobicContact CZ3-CZ 4.46Å; P148-F178 HydrophobicContact CG-CZ 4.34Å; L159-F178 HydrophobicContact CD2-CE2 4.16Å; L159-F178 HydrophobicContact CD2-CZ 4.29Å; L163-F178 HydrophobicContact CD1-CD2 4.37Å; L163-F178 HydrophobicContact CD1-CE2 4.16Å; L163-F178 HydrophobicContact CD2-CD2 4.35Å; M169-F178 HydrophobicContact SD-CB 3.81Å; M169-F178 HydrophobicContact SD-CD2 4.2Å; M169-F178 HydrophobicContact SD-CG 4.44Å; L171-F178 HydrophobicContact CB-CE2 4.41Å; L171-F178 HydrophobicContact CD2-CD2 3.7Å; L171-F178 HydrophobicContact CD2-CE2 3.76Å; R172-F178 VanDerWaalsContact CA-CE1 3.5Å; R172-F178 HydrophobicContact CG-CZ 4.46Å; T173-F178 WeakPolarHBondContact O-CD1 3.34Å; Y175-F178 HydrophobicContact CD1-CB 4.32Å; Y175-F178 WeakPolarHBondContact O-CA 3.14Å; Y175-F178 WeakPolarHBondContact O-CB 3.4Å; Y175-F178 PolarHBondContact O-N 3.24Å; S176-F178 PolarHBondContact O-N 3.01Å; F178-D180 VanDerWaalsContact C-N 3.31Å; F178-D180 PolarHBondContact O-N 3.16Å; F178-A181 WeakPolarHBondContact O-CB 3.28Å; F178-A181 PolarHBondContact O-N 2.78Å; F178-A181 VanDerWaalsContact O-N 3.16Å; F178-V182 HydrophobicContact CD1-CG2 4.09Å; F178-V182 HydrophobicContact CE1-CG2 3.72Å; F178-V182 HydrophobicContact CE2-CG2 4.18Å; F178-V182 HydrophobicContact CG-CG2 4.48Å; F178-V182 HydrophobicContact CZ-CG2 3.78Å; F178-V182 WeakPolarHBondContact O-CG2 3.38Å; F178-V182 PolarHBondContact O-N 2.88Å; F178-Y222 HydrophobicContact CD1-CE2 4.14Å; F178-Y222 AromaticContact CE1-CE2 3.63Å; F178-Y222 HydrophobicContact CE1-CE2 3.63Å; F178-Y222 AromaticContact CE1-CZ 3.91Å
179	T	98.7	Very high	98.5	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-33.7	-177.1	55.5	0	0	0	0	113	Y175 S176 V182 N183 F225	Y175-T179 PolarHBondContact O-N 3.41Å; Y175-T179 PolarHBondContact O-OG1 3.07Å; S176-T179 WeakPolarHBondContact CA-OG1 3.23Å; S176-T179 PolarHBondContact O-N 3.45Å; S176-T179 PolarHBondContact O-OG1 3.28Å; T179-V182 PolarHBondContact O-N 2.8Å; T179-N183 WeakPolarHBondContact O-CB 3.18Å; T179-N183 PolarHBondContact O-N 3.18Å; T179-N183 PolarHBondContact O-ND2 3.22Å; T179-N183 VanDerWaalsContact O-ND2 3.12Å; T179-F225 VanDerWaalsContact CB-CZ 3.45Å; T179-F225 HydrophobicContact CG2-CD1 3.86Å; T179-F225 HydrophobicContact CG2-CD2 4.43Å; T179-F225 HydrophobicContact CG2-CE1 3.59Å; T179-F225 HydrophobicContact CG2-CE2 4.19Å; T179-F225 HydrophobicContact CG2-CG 4.29Å; T179-F225 HydrophobicContact CG2-CZ 3.78Å
180	D	98.7	Very high	98.6	Very high	96 Å²	96	32.4 Å²	32.4	51%	0.513	18%	0.177	S	C	.	.	H	α-helix	trans	-66.4	-39.3	174.9	-66.9	-14	0	0	0	111.3	S176 F178 N183 S184	S176-D180 VanDerWaalsContact O-CB 3.26Å; S176-D180 WeakPolarHBondContact O-CB 3.43Å; S176-D180 PolarHBondContact O-N 3.27Å; F178-D180 VanDerWaalsContact C-N 3.31Å; F178-D180 PolarHBondContact O-N 3.16Å; D180-N183 PolarHBondContact O-N 3.06Å; D180-S184 PolarHBondContact O-N 3.14Å
181	A	98.7	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-44.9	174.3	0	0	0	0	0	111.6	W110 W162 L163 F178 N183 S184 F185	W110-A181 HydrophobicContact CH2-CB 3.73Å; W110-A181 HydrophobicContact CZ2-CB 3.91Å; W110-A181 WeakPolarHBondContact CZ2-O 3.41Å; W162-A181 HydrophobicContact CH2-CB 3.88Å; W162-A181 HydrophobicContact CZ3-CB 4.06Å; L163-A181 HydrophobicContact CD2-CB 3.67Å; F178-A181 WeakPolarHBondContact O-CB 3.28Å; F178-A181 PolarHBondContact O-N 2.78Å; F178-A181 VanDerWaalsContact O-N 3.16Å; A181-N183 VanDerWaalsContact C-N 3.32Å; A181-N183 PolarHBondContact O-N 2.98Å; A181-S184 WeakPolarHBondContact O-CB 3.43Å; A181-S184 PolarHBondContact O-N 2.9Å; A181-F185 PolarHBondContact O-N 2.85Å
182	V	98.9	Very high	98.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-43.5	175.5	172	0	0	0	0	111.2	W110 P148 F178 T179 S184 F185 F186 F225 I226	W110-V182 HydrophobicContact CH2-CG2 3.88Å; W110-V182 HydrophobicContact CZ3-CG2 3.8Å; P148-V182 HydrophobicContact CB-CG1 4.24Å; P148-V182 HydrophobicContact CB-CG2 3.88Å; P148-V182 HydrophobicContact CG-CG1 3.98Å; P148-V182 HydrophobicContact CG-CG2 3.71Å; F178-V182 HydrophobicContact CD1-CG2 4.09Å; F178-V182 HydrophobicContact CE1-CG2 3.72Å; F178-V182 HydrophobicContact CE2-CG2 4.18Å; F178-V182 HydrophobicContact CG-CG2 4.48Å; F178-V182 HydrophobicContact CZ-CG2 3.78Å; F178-V182 WeakPolarHBondContact O-CG2 3.38Å; F178-V182 PolarHBondContact O-N 2.88Å; T179-V182 PolarHBondContact O-N 2.8Å; V182-S184 PolarHBondContact O-N 3.29Å; V182-F185 PolarHBondContact O-N 3.46Å; V182-F186 HydrophobicContact CG1-CD1 4.48Å; V182-F186 HydrophobicContact CG1-CD2 4.11Å; V182-F186 HydrophobicContact CG1-CE1 4.5Å; V182-F186 HydrophobicContact CG1-CE2 4.12Å; V182-F186 HydrophobicContact CG1-CG 4.31Å; V182-F186 HydrophobicContact CG1-CZ 4.34Å; V182-F186 WeakPolarHBondContact O-CB 3.3Å; V182-F186 PolarHBondContact O-N 2.86Å; V182-F225 HydrophobicContact CB-CE1 4.43Å; V182-F225 HydrophobicContact CG1-CE1 4.19Å; V182-I226 HydrophobicContact CG1-CD1 3.72Å
183	N	98.8	Very high	98.6	Very high	40 Å²	40	36.5 Å²	36.5	21%	0.214	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-47.7	176.3	-82.6	-43	0	0	0	111.6	T179 D180 A181 F185 F186 D187 R233	T179-N183 WeakPolarHBondContact O-CB 3.18Å; T179-N183 PolarHBondContact O-N 3.18Å; T179-N183 PolarHBondContact O-ND2 3.22Å; T179-N183 VanDerWaalsContact O-ND2 3.12Å; D180-N183 PolarHBondContact O-N 3.06Å; A181-N183 VanDerWaalsContact C-N 3.32Å; A181-N183 PolarHBondContact O-N 2.98Å; N183-F185 VanDerWaalsContact C-N 3.34Å; N183-F185 PolarHBondContact O-N 3.07Å; N183-F186 PolarHBondContact O-N 3.42Å; N183-D187 PolarHBondContact O-N 3.21Å; N183-R233 PolarHBondContact O-NH2 2.99Å; N183-R233 PolarHBondContact OD1-NH1 3.16Å; N183-R233 PolarHBondContact OD1-NH2 3.4Å
184	S	98.6	Very high	98.6	Very high	40 Å²	40	37.5 Å²	37.5	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-43.9	177.5	-171.9	0	0	0	0	112.1	D180 A181 V182	D180-S184 PolarHBondContact O-N 3.14Å; A181-S184 WeakPolarHBondContact O-CB 3.43Å; A181-S184 PolarHBondContact O-N 2.9Å; V182-S184 PolarHBondContact O-N 3.29Å
185	F	98.8	Very high	98.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-44.7	177.1	174	-126.5	0	0	0	112.2	V108 W110 H113 F120 A181 V182 N183 D187 E188 L189	V108-F185 HydrophobicContact CG1-CZ 3.99Å; W110-F185 HydrophobicContact CB-CD1 4.02Å; W110-F185 HydrophobicContact CB-CE1 3.59Å; W110-F185 HydrophobicContact CB-CE2 4.13Å; W110-F185 HydrophobicContact CB-CG 4.46Å; W110-F185 HydrophobicContact CB-CZ 3.64Å; W110-F185 AromaticContact CD1-CD1 3.77Å; W110-F185 AromaticContact CD1-CD2 3.26Å; W110-F185 AromaticContact CD1-CE2 3.59Å; W110-F185 AromaticContact CD1-CG 3.36Å; W110-F185 AromaticContact CD1-CZ 3.96Å; W110-F185 HydrophobicContact CD2-CB 4.17Å; W110-F185 AromaticContact CD2-CD1 3.72Å; W110-F185 HydrophobicContact CD2-CD1 3.72Å; W110-F185 HydrophobicContact CD2-CE1 4.24Å; W110-F185 AromaticContact CD2-CG 3.89Å; W110-F185 HydrophobicContact CD2-CG 3.89Å; W110-F185 AromaticContact CE2-CG 3.73Å; W110-F185 HydrophobicContact CE3-CD1 4.26Å; W110-F185 HydrophobicContact CG-CB 4.41Å; W110-F185 AromaticContact CG-CD1 3.59Å; W110-F185 HydrophobicContact CG-CD1 3.59Å; W110-F185 AromaticContact CG-CD2 3.9Å; W110-F185 HydrophobicContact CG-CD2 3.9Å; W110-F185 AromaticContact CG-CE1 3.7Å; W110-F185 HydrophobicContact CG-CE1 3.7Å; W110-F185 HydrophobicContact CG-CE2 4.01Å; W110-F185 AromaticContact CG-CG 3.69Å; W110-F185 HydrophobicContact CG-CG 3.69Å; W110-F185 AromaticContact CG-CZ 3.89Å; W110-F185 HydrophobicContact CG-CZ 3.89Å; W110-F185 HydrophobicContact CZ2-CB 3.83Å; W110-F185 HydrophobicContact CZ2-CG 4.46Å; W110-F185 AromaticContact NE1-CD2 3.62Å; W110-F185 AromaticContact NE1-CG 3.42Å; H113-F185 HydrophobicContact CB-CE2 3.88Å; F120-F185 HydrophobicContact CE1-CD2 4.13Å; A181-F185 PolarHBondContact O-N 2.85Å; V182-F185 PolarHBondContact O-N 3.46Å; N183-F185 VanDerWaalsContact C-N 3.34Å; N183-F185 PolarHBondContact O-N 3.07Å; F185-D187 VanDerWaalsContact C-N 3.34Å; F185-D187 PolarHBondContact O-N 2.76Å; F185-E188 PolarHBondContact O-N 2.99Å; F185-L189 HydrophobicContact CE1-CD2 3.8Å; F185-L189 HydrophobicContact CE2-CB 4.14Å; F185-L189 HydrophobicContact CE2-CD2 4.37Å; F185-L189 HydrophobicContact CZ-CB 4.24Å; F185-L189 HydrophobicContact CZ-CD2 3.64Å; F185-L189 HydrophobicContact CZ-CG 4.41Å; F185-L189 WeakPolarHBondContact O-CB 3.37Å; F185-L189 PolarHBondContact O-N 2.86Å
186	F	98.9	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-29.2	-180	-79.2	9.3	0	0	0	112.8	P148 V182 N183 E188 I190 I226 A229 L230	P148-F186 HydrophobicContact CB-CE1 4.25Å; P148-F186 HydrophobicContact CB-CZ 4.44Å; V182-F186 HydrophobicContact CG1-CD1 4.48Å; V182-F186 HydrophobicContact CG1-CD2 4.11Å; V182-F186 HydrophobicContact CG1-CE1 4.5Å; V182-F186 HydrophobicContact CG1-CE2 4.12Å; V182-F186 HydrophobicContact CG1-CG 4.31Å; V182-F186 HydrophobicContact CG1-CZ 4.34Å; V182-F186 WeakPolarHBondContact O-CB 3.3Å; V182-F186 PolarHBondContact O-N 2.86Å; N183-F186 PolarHBondContact O-N 3.42Å; F186-E188 VanDerWaalsContact C-N 3.25Å; F186-E188 PolarHBondContact O-N 3.22Å; F186-I190 HydrophobicContact CB-CG1 4.05Å; F186-I190 HydrophobicContact CG-CG1 4.33Å; F186-I190 WeakPolarHBondContact O-CB 3.46Å; F186-I190 WeakPolarHBondContact O-CG1 3.27Å; F186-I190 PolarHBondContact O-N 2.9Å; F186-I226 HydrophobicContact CE2-CG2 4.18Å; F186-A229 HydrophobicContact CD2-CB 3.97Å; F186-A229 HydrophobicContact CE2-CB 4.42Å; F186-L230 HydrophobicContact CD2-CD2 4.02Å; F186-L230 HydrophobicContact CE2-CD2 3.59Å; F186-L230 HydrophobicContact CE2-CG 3.96Å; F186-L230 HydrophobicContact CZ-CD2 4.06Å
187	D	98.8	Very high	98.6	Very high	84 Å²	84	33.7 Å²	33.7	45%	0.449	18%	0.179	S	C	.	.	H	α-helix	trans	-57.6	-40.1	173	-71.9	-23.5	0	0	0	111.5	N183 F185 K191 R233	N183-D187 PolarHBondContact O-N 3.21Å; F185-D187 VanDerWaalsContact C-N 3.34Å; F185-D187 PolarHBondContact O-N 2.76Å; D187-K191 WeakPolarHBondContact O-CB 3.43Å; D187-R233 IonicContact OD1-CZ 3.62Å; D187-R233 IonicContact OD1-NE 3.85Å; D187-R233 PolarHBondContact OD1-NE 3.04Å; D187-R233 IonicContact OD1-NH2 2.86Å; D187-R233 PolarHBondContact OD1-NH2 2.92Å; D187-R233 IonicContact OD2-NH2 2.72Å
188	E	98.8	Very high	98.6	Very high	68 Å²	68	33.3 Å²	33.3	32%	0.318	17%	0.172	S	C	.	.	H	α-helix	trans	-83.4	-48.8	177.6	-67.2	-57.1	144.6	0	0	112.6	F120 F185 F186 I190 K192	F120-E188 HydrophobicContact CD1-CB 4.11Å; F120-E188 HydrophobicContact CD1-CG 4.25Å; F120-E188 HydrophobicContact CD2-CB 4.39Å; F120-E188 HydrophobicContact CD2-CG 3.68Å; F120-E188 HydrophobicContact CE1-CB 4.18Å; F120-E188 HydrophobicContact CE1-CG 4.2Å; F120-E188 HydrophobicContact CE2-CB 4.44Å; F120-E188 HydrophobicContact CE2-CG 3.61Å; F120-E188 HydrophobicContact CG-CB 4.21Å; F120-E188 HydrophobicContact CG-CG 4Å; F120-E188 HydrophobicContact CZ-CB 4.34Å; F120-E188 HydrophobicContact CZ-CG 3.88Å; F185-E188 PolarHBondContact O-N 2.99Å; F186-E188 VanDerWaalsContact C-N 3.25Å; F186-E188 PolarHBondContact O-N 3.22Å; E188-I190 PolarHBondContact O-N 3.1Å; E188-K192 WeakPolarHBondContact O-CG 3.43Å; E188-K192 PolarHBondContact O-N 3.05Å
189	L	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-47.6	-177.3	175.9	63.4	0	0	0	112.2	V108 F122 L128 P146 F185 K191 K192 V193	V108-L189 HydrophobicContact CB-CD2 4.25Å; V108-L189 HydrophobicContact CG1-CD1 3.76Å; V108-L189 HydrophobicContact CG1-CD2 3.86Å; V108-L189 HydrophobicContact CG1-CG 4.46Å; V108-L189 HydrophobicContact CG2-CD1 4.34Å; V108-L189 HydrophobicContact CG2-CD2 4.4Å; F122-L189 HydrophobicContact CE1-CD1 4.05Å; F122-L189 HydrophobicContact CZ-CD1 4.46Å; L128-L189 HydrophobicContact CD2-CD1 3.8Å; P146-L189 HydrophobicContact CB-CD2 3.69Å; F185-L189 HydrophobicContact CE1-CD2 3.8Å; F185-L189 HydrophobicContact CE2-CB 4.14Å; F185-L189 HydrophobicContact CE2-CD2 4.37Å; F185-L189 HydrophobicContact CZ-CB 4.24Å; F185-L189 HydrophobicContact CZ-CD2 3.64Å; F185-L189 HydrophobicContact CZ-CG 4.41Å; F185-L189 WeakPolarHBondContact O-CB 3.37Å; F185-L189 PolarHBondContact O-N 2.86Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.21Å; L189-K192 WeakPolarHBondContact O-CB 3.31Å; L189-K192 PolarHBondContact O-N 3.39Å; L189-K192 VanDerWaalsContact O-N 3.08Å; L189-V193 HydrophobicContact CD1-CG1 4.19Å; L189-V193 PolarHBondContact O-N 3.18Å
190	I	98.7	Very high	98.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-34.6	-172.6	-57.6	-56.4	0	0	0	111	F186 E188 K192 V193 T194 L230 R233 I235	F186-I190 HydrophobicContact CB-CG1 4.05Å; F186-I190 HydrophobicContact CG-CG1 4.33Å; F186-I190 WeakPolarHBondContact O-CB 3.46Å; F186-I190 WeakPolarHBondContact O-CG1 3.27Å; F186-I190 PolarHBondContact O-N 2.9Å; E188-I190 PolarHBondContact O-N 3.1Å; I190-K192 VanDerWaalsContact C-N 3.27Å; I190-K192 PolarHBondContact O-N 3.24Å; I190-V193 HydrophobicContact CD1-CG2 4.3Å; I190-V193 PolarHBondContact O-N 3.48Å; I190-T194 WeakPolarHBondContact O-CB 3.44Å; I190-T194 PolarHBondContact O-N 3.34Å; I190-T194 PolarHBondContact O-OG1 2.83Å; I190-L230 HydrophobicContact CD1-CD2 3.6Å; I190-L230 HydrophobicContact CG1-CD2 4.33Å; I190-R233 HydrophobicContact CB-CB 3.87Å; I190-R233 HydrophobicContact CG1-CB 4.27Å; I190-R233 HydrophobicContact CG2-CB 3.59Å; I190-R233 VanDerWaalsContact CG2-O 3.3Å; I190-R233 WeakPolarHBondContact CG2-O 3.32Å; I190-I235 HydrophobicContact CD1-CD1 4.23Å; I190-I235 HydrophobicContact CD1-CG1 4.17Å; I190-I235 HydrophobicContact CG2-CD1 3.79Å; I190-I235 HydrophobicContact CG2-CG1 3.85Å
191	K	98.3	Very high	98.3	Very high	146 Å²	146	39 Å²	39	64%	0.635	21%	0.213	S	C	*	.	H	α-helix	trans	-57.7	-38.7	171.2	179.5	-177.2	174.1	-171	0	112.3	D187 L189 P195	D187-K191 WeakPolarHBondContact O-CB 3.43Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.21Å; K191-P195 WeakPolarHBondContact O-CD 3.2Å
192	K	98.5	Very high	98.3	Very high	62 Å²	62	39.3 Å²	39.3	27%	0.27	22%	0.217	S	C	.	.	H	α-helix	trans	-70	-36.9	178.3	-68.3	-77.6	-173.2	179.9	0	113.1	F122 E129 E188 L189 I190 Y196	F122-K192 HydrophobicContact CD1-CG 4.49Å; F122-K192 HydrophobicContact CE1-CG 4.36Å; F122-K192 HydrophobicContact CE2-CG 4.41Å; F122-K192 HydrophobicContact CZ-CG 4.31Å; E129-K192 HydrophobicContact CG-CB 4.4Å; E129-K192 HydrophobicContact CG-CD 4.16Å; E129-K192 WeakPolarHBondContact OE1-CD 3.29Å; E129-K192 WeakPolarHBondContact OE1-CE 3.36Å; E129-K192 IonicContact OE1-NZ 2.66Å; E129-K192 PolarHBondContact OE1-NZ 3.1Å; E188-K192 WeakPolarHBondContact O-CG 3.43Å; E188-K192 PolarHBondContact O-N 3.05Å; L189-K192 WeakPolarHBondContact O-CB 3.31Å; L189-K192 PolarHBondContact O-N 3.39Å; L189-K192 VanDerWaalsContact O-N 3.08Å; I190-K192 VanDerWaalsContact C-N 3.27Å; I190-K192 PolarHBondContact O-N 3.24Å; K192-Y196 WeakPolarHBondContact O-CD2 3.32Å
193	V	98.4	Very high	98.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-94.5	-19	-174.9	-55.5	0	0	0	0	114.1	L128 L132 L144 L189 I190 P195 Y196 Q197 I204 I235	L128-V193 HydrophobicContact CD2-CG1 3.57Å; L128-V193 HydrophobicContact CG-CG1 4.33Å; L132-V193 HydrophobicContact CD1-CG1 4.24Å; L144-V193 HydrophobicContact CD2-CB 3.88Å; L144-V193 HydrophobicContact CD2-CG1 3.79Å; L144-V193 HydrophobicContact CD2-CG2 3.83Å; L189-V193 HydrophobicContact CD1-CG1 4.19Å; L189-V193 PolarHBondContact O-N 3.18Å; I190-V193 HydrophobicContact CD1-CG2 4.3Å; I190-V193 PolarHBondContact O-N 3.48Å; V193-P195 VanDerWaalsContact C-CD 3.48Å; V193-Y196 WeakPolarHBondContact O-CA 3.39Å; V193-Y196 WeakPolarHBondContact O-CB 3.39Å; V193-Y196 PolarHBondContact O-N 3.18Å; V193-Q197 PolarHBondContact O-N 3.35Å; V193-I204 HydrophobicContact CB-CD1 4.1Å; V193-I235 HydrophobicContact CG2-CD1 4.25Å
194	T	98.4	Very high	98.2	Very high	34 Å²	34	37.6 Å²	37.6	21%	0.209	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-52.9	-44	179.8	-69.2	0	0	0	0	113.5	I190 Y196 Q197 Q200	I190-T194 WeakPolarHBondContact O-CB 3.44Å; I190-T194 PolarHBondContact O-N 3.34Å; I190-T194 PolarHBondContact O-OG1 2.83Å; T194-Y196 PolarHBondContact O-N 2.76Å; T194-Y196 VanDerWaalsContact O-N 3.15Å; T194-Q197 WeakPolarHBondContact O-CB 3.48Å; T194-Q197 WeakPolarHBondContact O-CG 3.35Å; T194-Q197 PolarHBondContact O-N 3.24Å; T194-Q197 PolarHBondContact O-NE2 3.09Å; T194-Q200 WeakPolarHBondContact O-CG 3.47Å
195	P	98.4	Very high	98.3	Very high	74 Å²	74	35.7 Å²	35.7	48%	0.481	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-63.3	-18.2	176.5	-23.3	35.4	0	0	0	114.5	K191 V193	K191-P195 WeakPolarHBondContact O-CD 3.2Å; V193-P195 VanDerWaalsContact C-CD 3.48Å
196	Y	98.7	Very high	98.3	Very high	31 Å²	31	35.7 Å²	35.7	12%	0.122	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-95.5	-0.2	-178.1	-64.1	-75.7	0	0	0	113.3	E129 L132 R133 K192 V193 T194 G202 P203 I204	E129-Y196 HydrophobicContact CB-CE2 3.72Å; E129-Y196 HydrophobicContact CG-CE2 3.76Å; L132-Y196 HydrophobicContact CB-CD1 3.87Å; L132-Y196 HydrophobicContact CB-CE1 4.36Å; L132-Y196 HydrophobicContact CB-CG 3.99Å; L132-Y196 HydrophobicContact CD1-CD2 3.84Å; L132-Y196 HydrophobicContact CD1-CG 3.78Å; R133-Y196 HydrophobicContact CG-CE1 3.58Å; R133-Y196 PolarHBondContact NH1-OH 3.11Å; K192-Y196 WeakPolarHBondContact O-CD2 3.32Å; V193-Y196 WeakPolarHBondContact O-CA 3.39Å; V193-Y196 WeakPolarHBondContact O-CB 3.39Å; V193-Y196 PolarHBondContact O-N 3.18Å; T194-Y196 PolarHBondContact O-N 2.76Å; T194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-G202 CarbonylContact O-C 3.46Å; Y196-G202 WeakPolarHBondContact O-CA 3.47Å; Y196-P203 VanDerWaalsContact O-CD 3.23Å; Y196-P203 WeakPolarHBondContact O-CD 3.36Å; Y196-P203 VanDerWaalsContact O-N 3.1Å; Y196-I204 WeakPolarHBondContact O-CB 3.46Å; Y196-I204 WeakPolarHBondContact O-CG1 3.34Å; Y196-I204 PolarHBondContact O-N 3.3Å
197	Q	98.7	Very high	98.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-62.3	145.9	170.7	-70.3	-172	97.8	0	0	111.9	V193 T194 S199 Q200 G201 G202 G234 I235 E237	V193-Q197 PolarHBondContact O-N 3.35Å; T194-Q197 WeakPolarHBondContact O-CB 3.48Å; T194-Q197 WeakPolarHBondContact O-CG 3.35Å; T194-Q197 PolarHBondContact O-N 3.24Å; T194-Q197 PolarHBondContact O-NE2 3.09Å; Q197-S199 VanDerWaalsContact C-N 3.26Å; Q197-S199 PolarHBondContact O-N 3.3Å; Q197-Q200 HydrophobicContact CB-CB 4.49Å; Q197-Q200 HydrophobicContact CB-CG 4.26Å; Q197-Q200 CarbonylContact O-C 3.08Å; Q197-Q200 WeakPolarHBondContact O-CA 3.4Å; Q197-Q200 PolarHBondContact O-N 2.79Å; Q197-G201 PolarHBondContact O-N 3.42Å; Q197-G202 PolarHBondContact O-N 2.7Å; Q197-G234 PolarHBondContact NE2-O 3.26Å; Q197-I235 VanDerWaalsContact OE1-CA 3.28Å; Q197-E237 HydrophobicContact CB-CG 4.02Å; Q197-E237 WeakPolarHBondContact CB-OE1 3.22Å; Q197-E237 HydrophobicContact CG-CG 4.05Å
198	Y	98.4	Very high	98.3	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.4	-42.7	178.7	173.5	-84.4	0	0	0	112	R54 E56 G57 L67 E68 W141 Q200 G201 G202 I204 I205 E237	R54-Y198 HydrophobicContact CB-CE1 4.42Å; R54-Y198 HydrophobicContact CG-CE2 4.38Å; R54-Y198 PolarHBondContact NH1-O 2.78Å; E56-Y198 VanDerWaalsContact C-CE1 3.49Å; E56-Y198 PolarHBondContact O-OH 3.43Å; G57-Y198 VanDerWaalsContact N-CE1 3.25Å; L67-Y198 HydrophobicContact CD1-CD2 4.42Å; L67-Y198 HydrophobicContact CD1-CE2 4.13Å; E68-Y198 PolarHBondContact OE1-OH 2.84Å; E68-Y198 PolarHBondContact OE2-OH 2.84Å; W141-Y198 HydrophobicContact CE3-CD2 4.42Å; W141-Y198 HydrophobicContact CH2-CD2 4.06Å; W141-Y198 AromaticContact CH2-CE2 3.83Å; W141-Y198 HydrophobicContact CH2-CE2 3.83Å; W141-Y198 AromaticContact CZ3-CD2 3.65Å; W141-Y198 HydrophobicContact CZ3-CD2 3.65Å; W141-Y198 AromaticContact CZ3-CE2 3.92Å; W141-Y198 HydrophobicContact CZ3-CE2 3.92Å; Y198-Q200 PolarHBondContact O-N 3.2Å; Y198-G201 PolarHBondContact O-N 2.71Å; Y198-G202 WeakPolarHBondContact CA-O 3.32Å; Y198-I204 WeakPolarHBondContact CA-O 3.3Å; Y198-I204 WeakPolarHBondContact CB-O 3.16Å; Y198-I204 PolarHBondContact N-O 2.86Å; Y198-I205 HydrophobicContact CD2-CG2 4.03Å; Y198-I205 HydrophobicContact CG-CG2 4.35Å; Y198-E237 PolarHBondContact N-OE1 3.27Å; Y198-E237 VanDerWaalsContact N-OE1 3.1Å
199	S	96.3	Very high	98.3	Very high	59 Å²	59	28.7 Å²	28.7	41%	0.413	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-56.7	-26.2	173.2	53.4	0	0	0	0	113.7	Q197 T236 E237	Q197-S199 VanDerWaalsContact C-N 3.26Å; Q197-S199 PolarHBondContact O-N 3.3Å; S199-T236 PolarHBondContact OG-OG1 2.82Å; S199-T236 VanDerWaalsContact OG-OG1 3.08Å; S199-E237 WeakPolarHBondContact CB-OE1 3.27Å; S199-E237 PolarHBondContact N-OE1 3.21Å; S199-E237 PolarHBondContact OG-OE1 2.75Å
200	Q	96.8	Very high	98.2	Very high	124 Å²	124	28.8 Å²	28.8	58%	0.579	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-98.8	5.7	176.3	-57.7	-56.9	-33.8	0	0	113.1	T194 Q197 Y198	T194-Q200 WeakPolarHBondContact O-CG 3.47Å; Q197-Q200 HydrophobicContact CB-CB 4.49Å; Q197-Q200 HydrophobicContact CB-CG 4.26Å; Q197-Q200 CarbonylContact O-C 3.08Å; Q197-Q200 WeakPolarHBondContact O-CA 3.4Å; Q197-Q200 PolarHBondContact O-N 2.79Å; Y198-Q200 PolarHBondContact O-N 3.2Å
201	G	95.7	Very high	98.2	Very high	45 Å²	45	28.9 Å²	28.9	46%	0.464	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	5.2	-179.9	0	0	0	0	0	115.1	R54 Q197 Y198	R54-G201 VanDerWaalsContact CZ-O 3.26Å; R54-G201 PolarHBondContact NH2-O 2.77Å; Q197-G201 PolarHBondContact O-N 3.42Å; Y198-G201 PolarHBondContact O-N 2.71Å
202	G	97.8	Very high	98.2	Very high	8 Å²	8	22.5 Å²	22.5	8%	0.082	13%	0.133	C	C	.	.	S	Bend	trans	-91.7	-173.1	178	0	0	0	0	0	114.9	R54 Y196 Q197 Y198	R54-G202 PolarHBondContact NH1-O 2.79Å; R54-G202 PolarHBondContact NH2-O 2.77Å; R54-G202 VanDerWaalsContact NH2-O 3.11Å; Y196-G202 CarbonylContact O-C 3.46Å; Y196-G202 WeakPolarHBondContact O-CA 3.47Å; Q197-G202 PolarHBondContact O-N 2.7Å; Y198-G202 WeakPolarHBondContact CA-O 3.32Å
203	P	98.6	Very high	98.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.019	12%	0.121	C	C	.	.	S	Bend	trans	-90	-12.1	-175.4	36.5	-38.7	0	0	0	115	A136 W141 V142 Y196 I205	A136-P203 HydrophobicContact CB-CB 4.09Å; A136-P203 HydrophobicContact CB-CG 3.94Å; W141-P203 CarbonylContact C-O 3.53Å; V142-P203 HydrophobicContact CG2-CB 4.01Å; V142-P203 HydrophobicContact CG2-CG 3.99Å; V142-P203 PolarHBondContact N-O 2.62Å; Y196-P203 VanDerWaalsContact O-CD 3.23Å; Y196-P203 WeakPolarHBondContact O-CD 3.36Å; Y196-P203 VanDerWaalsContact O-N 3.1Å; P203-I205 PolarHBondContact O-N 2.87Å
204	I	98.9	Very high	98.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.5	-175.4	-58.3	168.9	0	0	0	109.6	L132 V142 L144 V193 Y196 Y198 V207 E237	L132-I204 HydrophobicContact CD1-CD1 4.02Å; L132-I204 HydrophobicContact CD2-CD1 4.25Å; L132-I204 HydrophobicContact CD2-CG1 4.1Å; V142-I204 HydrophobicContact CB-CG1 4.08Å; V142-I204 HydrophobicContact CG1-CG1 4.09Å; V142-I204 CarbonylContact O-C 3.49Å; V142-I204 WeakPolarHBondContact O-CA 3.46Å; L144-I204 HydrophobicContact CB-CG2 4.24Å; L144-I204 HydrophobicContact CD2-CD1 4.19Å; V193-I204 HydrophobicContact CB-CD1 4.1Å; Y196-I204 WeakPolarHBondContact O-CB 3.46Å; Y196-I204 WeakPolarHBondContact O-CG1 3.34Å; Y196-I204 PolarHBondContact O-N 3.3Å; Y198-I204 WeakPolarHBondContact CA-O 3.3Å; Y198-I204 WeakPolarHBondContact CB-O 3.16Å; Y198-I204 PolarHBondContact N-O 2.86Å; I204-V207 HydrophobicContact CG2-CG2 3.91Å; I204-E237 WeakPolarHBondContact O-CG 3.31Å
205	I	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-16.1	-178.1	58.7	167.9	0	0	0	113.4	L58 L67 F72 T103 W141 V142 Y198 P203	L58-I205 HydrophobicContact CB-CB 4.08Å; L58-I205 WeakPolarHBondContact CB-O 3.49Å; L58-I205 HydrophobicContact CD1-CD1 4.5Å; L58-I205 HydrophobicContact CD2-CD1 4.18Å; L58-I205 HydrophobicContact CD2-CG1 4.41Å; L67-I205 HydrophobicContact CD1-CG2 4.32Å; F72-I205 HydrophobicContact CE1-CD1 3.98Å; T103-I205 HydrophobicContact CG2-CD1 4.38Å; W141-I205 HydrophobicContact CB-CD1 3.57Å; W141-I205 HydrophobicContact CB-CG1 3.95Å; W141-I205 HydrophobicContact CB-CG2 4.22Å; W141-I205 HydrophobicContact CD2-CG2 3.86Å; W141-I205 HydrophobicContact CE3-CG2 3.49Å; W141-I205 VanDerWaalsContact CE3-CG2 3.49Å; W141-I205 HydrophobicContact CG-CD1 3.97Å; W141-I205 HydrophobicContact CG-CG2 4.2Å; W141-I205 HydrophobicContact CZ3-CG2 4.14Å; V142-I205 WeakPolarHBondContact O-CG1 3.33Å; V142-I205 PolarHBondContact O-N 2.88Å; Y198-I205 HydrophobicContact CD2-CG2 4.03Å; Y198-I205 HydrophobicContact CG-CG2 4.35Å; P203-I205 PolarHBondContact O-N 2.87Å
206	A	98.9	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	156.9	173.8	0	0	0	0	0	111.2	L58 I143 L144 L238 L240	L58-A206 HydrophobicContact CD2-CB 4.19Å; I143-A206 WeakPolarHBondContact CA-O 3.42Å; I143-A206 HydrophobicContact CG1-CB 4.19Å; I143-A206 HydrophobicContact CG2-CB 4.4Å; L144-A206 PolarHBondContact N-O 2.88Å; A206-L238 CarbonylContact C-O 3.18Å; A206-L238 WeakPolarHBondContact CA-O 3.37Å; A206-L238 HydrophobicContact CB-CB 4.2Å; A206-L238 WeakPolarHBondContact CB-O 3.09Å; A206-L240 HydrophobicContact CB-CD2 3.91Å
207	V	98.9	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.9	178.4	-177.9	0	0	0	0	109.5	L144 P146 I204 L230 I235 L238 L239 L240	L144-V207 HydrophobicContact CB-CG2 4.49Å; L144-V207 CarbonylContact O-C 3.47Å; L144-V207 VanDerWaalsContact O-CA 3.28Å; L144-V207 WeakPolarHBondContact O-CA 3.37Å; P146-V207 HydrophobicContact CG-CG1 3.77Å; I204-V207 HydrophobicContact CG2-CG2 3.91Å; V207-L230 HydrophobicContact CG1-CD1 4.39Å; V207-I235 HydrophobicContact CB-CG2 4.02Å; V207-I235 HydrophobicContact CG1-CG2 4.37Å; V207-I235 HydrophobicContact CG2-CD1 4.44Å; V207-I235 HydrophobicContact CG2-CG2 3.79Å; V207-L238 PolarHBondContact N-O 3.28Å; V207-L239 HydrophobicContact CB-CD2 4.03Å; V207-L239 VanDerWaalsContact O-CA 3.3Å; V207-L239 WeakPolarHBondContact O-CA 3.41Å; V207-L240 PolarHBondContact O-N 2.92Å
208	Q	98.9	Very high	97.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.019	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.4	172.9	-178.5	170	81.8	0	0	110.6	L144 R145 P146 E210 L240 S242	L144-Q208 PolarHBondContact O-N 2.9Å; R145-Q208 HydrophobicContact CB-CB 4.12Å; R145-Q208 HydrophobicContact CG-CB 3.8Å; R145-Q208 VanDerWaalsContact CZ-OE1 3.27Å; R145-Q208 VanDerWaalsContact NE-CD 3.27Å; R145-Q208 VanDerWaalsContact NH2-NE2 3.12Å; P146-Q208 VanDerWaalsContact CD-O 3.31Å; P146-Q208 WeakPolarHBondContact CD-O 3.23Å; Q208-E210 WeakPolarHBondContact CG-O 3.37Å; Q208-E210 PolarHBondContact OE1-O 2.82Å; Q208-L240 CarbonylContact C-O 3.57Å; Q208-L240 VanDerWaalsContact CA-O 3.3Å; Q208-L240 WeakPolarHBondContact CA-O 3.29Å; Q208-L240 HydrophobicContact CB-CD1 3.63Å; Q208-L240 HydrophobicContact CB-CG 4.37Å; Q208-L240 HydrophobicContact CG-CD1 3.79Å; Q208-S242 PolarHBondContact NE2-OG 2.71Å
209	V	98.8	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-73.7	-52.4	-178.7	179	0	0	0	0	111.4	M223 I226 K227 L230 L239 L240 T241 V253 A256	V209-M223 HydrophobicContact CB-CE 4.42Å; V209-M223 HydrophobicContact CG1-CE 4.14Å; V209-I226 HydrophobicContact CG1-CB 4.14Å; V209-I226 HydrophobicContact CG1-CG2 3.81Å; V209-I226 WeakPolarHBondContact O-CG2 3.36Å; V209-K227 HydrophobicContact CG1-CB 3.95Å; V209-K227 HydrophobicContact CG2-CG 4.49Å; V209-L230 HydrophobicContact CB-CD1 4.49Å; V209-L230 HydrophobicContact CG1-CD1 4.48Å; V209-L239 HydrophobicContact CG2-CB 3.95Å; V209-L239 HydrophobicContact CG2-CD1 4.16Å; V209-L239 HydrophobicContact CG2-CD2 4.47Å; V209-L239 HydrophobicContact CG2-CG 4.44Å; V209-L240 PolarHBondContact N-O 3.45Å; V209-T241 HydrophobicContact CB-CG2 4.27Å; V209-V253 HydrophobicContact CB-CG1 4.46Å; V209-V253 HydrophobicContact CG1-CG1 4.29Å; V209-V253 HydrophobicContact CG2-CG1 4.19Å; V209-A256 HydrophobicContact CG2-CB 4.1Å
210	E	98.2	Very high	97	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	15%	0.154	C	C	.	.	S	Bend	trans	-153.3	174.1	178.6	-143.2	-92.7	-178.6	0	0	107.7	R172 Q208 Y222 M223	R172-E210 IonicContact CZ-OE1 3.02Å; R172-E210 IonicContact CZ-OE2 3.83Å; R172-E210 IonicContact NE-OE1 3.85Å; R172-E210 PolarHBondContact NE-OE1 2.98Å; R172-E210 IonicContact NE-OE2 2.8Å; R172-E210 IonicContact NH2-OE1 2.86Å; R172-E210 PolarHBondContact NH2-OE1 3.02Å; R172-E210 IonicContact NH2-OE2 2.61Å; R172-E210 PolarHBondContact NH2-OE2 3.04Å; Q208-E210 WeakPolarHBondContact CG-O 3.37Å; Q208-E210 PolarHBondContact OE1-O 2.82Å; E210-Y222 HydrophobicContact CG-CE1 3.85Å; E210-Y222 PolarHBondContact OE1-OH 3.17Å; E210-M223 HydrophobicContact CB-CE 3.69Å; E210-M223 HydrophobicContact CB-SD 3.42Å; E210-M223 WeakPolarHBondContact CB-SD 3.35Å; E210-M223 HydrophobicContact CG-SD 4.03Å
211	N	98.5	Very high	97.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-113.3	114.2	-174.9	-173.2	57.3	0	0	0	113.6	Y107 R145 Y149 I150 C151 R172 Y213	Y107-N211 HydrophobicContact CE1-CB 4.37Å; Y107-N211 PolarHBondContact OH-ND2 3.27Å; Y107-N211 PolarHBondContact OH-OD1 2.8Å; R145-N211 PolarHBondContact NH2-OD1 3.24Å; Y149-N211 HydrophobicContact CD1-CB 4.34Å; Y149-N211 WeakPolarHBondContact O-CB 3.42Å; I150-N211 PolarHBondContact O-ND2 3.27Å; C151-N211 WeakPolarHBondContact CB-ND2 3.46Å; R172-N211 PolarHBondContact NH2-O 3.29Å; N211-Y213 PolarHBondContact O-N 3.26Å
212	E	97.5	Very high	97.2	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.056	13%	0.133	C	C	.	.	S	Bend	trans	47.5	47	175.1	-59	-158.8	136.5	0	0	112.6	G214 S215 S242 D243 N261	E212-G214 PolarHBondContact O-N 3.12Å; E212-S215 PolarHBondContact O-N 3.13Å; E212-S242 VanDerWaalsContact CA-O 3.23Å; E212-S242 WeakPolarHBondContact CA-O 3.47Å; E212-S242 PolarHBondContact N-O 2.82Å; E212-S242 VanDerWaalsContact N-O 3.12Å; E212-D243 VanDerWaalsContact C-OD1 3.24Å; E212-D243 VanDerWaalsContact CA-OD1 3.29Å; E212-D243 WeakPolarHBondContact CA-OD1 3.19Å; E212-N261 WeakPolarHBondContact CG-ND2 3.28Å; E212-N261 PolarHBondContact OE1-ND2 3.1Å
213	Y	97.9	Very high	97.3	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.02	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-63.9	-27.5	-177.6	-172.5	-109.9	0	0	0	112.2	R172 N211 S215 Y216 A217 D219 Y222 M223 D243	R172-Y213 HydrophobicContact CB-CE2 4.19Å; R172-Y213 WeakPolarHBondContact O-CE2 3.45Å; R172-Y213 PolarHBondContact O-OH 3.23Å; N211-Y213 PolarHBondContact O-N 3.26Å; Y213-S215 PolarHBondContact O-N 3.25Å; Y213-Y216 AromaticContact CE2-CD1 3.84Å; Y213-Y216 HydrophobicContact CE2-CD1 3.84Å; Y213-Y216 CarbonylContact O-C 3.51Å; Y213-Y216 WeakPolarHBondContact O-CA 3.44Å; Y213-Y216 PolarHBondContact O-N 3.47Å; Y213-A217 PolarHBondContact O-N 3.36Å; Y213-D219 WeakPolarHBondContact CE1-O 3.36Å; Y213-D219 WeakPolarHBondContact OH-CA 3.45Å; Y213-D219 PolarHBondContact OH-N 3.28Å; Y213-D219 PolarHBondContact OH-O 3.06Å; Y213-Y222 AromaticContact CD2-CD1 3.75Å; Y213-Y222 HydrophobicContact CD2-CD1 3.75Å; Y213-Y222 AromaticContact CD2-CE1 3.86Å; Y213-Y222 HydrophobicContact CD2-CE1 3.86Å; Y213-Y222 HydrophobicContact CE1-CD1 4.28Å; Y213-Y222 AromaticContact CE2-CD1 3.3Å; Y213-Y222 HydrophobicContact CE2-CD1 3.3Å; Y213-Y222 AromaticContact CE2-CE1 3.75Å; Y213-Y222 HydrophobicContact CE2-CE1 3.75Å; Y213-Y222 HydrophobicContact CE2-CG 4.31Å; Y213-Y222 HydrophobicContact CG-CD1 4.43Å; Y213-Y222 AromaticContact CZ-CD1 3.58Å; Y213-M223 VanDerWaalsContact CB-SD 3.58Å; Y213-M223 HydrophobicContact CD1-CG 3.27Å; Y213-M223 HydrophobicContact CD1-SD 3.89Å; Y213-M223 HydrophobicContact CD2-SD 4.35Å; Y213-M223 HydrophobicContact CE1-CG 3.78Å; Y213-M223 HydrophobicContact CG-CG 3.74Å; Y213-M223 HydrophobicContact CG-SD 3.67Å; Y213-D243 PolarHBondContact N-OD1 2.99Å
214	G	96.7	Very high	97.3	Very high	8 Å²	8	28 Å²	28	8%	0.082	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.8	178.2	0	0	0	0	0	114.1	E212 Y216 D243 G247	E212-G214 PolarHBondContact O-N 3.12Å; G214-Y216 PolarHBondContact O-N 3.23Å; G214-D243 WeakPolarHBondContact CA-OD1 3.44Å; G214-D243 PolarHBondContact N-OD1 3.02Å; G214-G247 VanDerWaalsContact C-CA 3.48Å; G214-G247 VanDerWaalsContact CA-O 3.28Å; G214-G247 WeakPolarHBondContact CA-O 3.4Å
215	S	92.8	Very high	97.3	Very high	34 Å²	34	30.3 Å²	30.3	24%	0.238	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-75.3	-7.1	174.2	-59.1	0	0	0	0	113.7	E212 Y213 Y506	E212-S215 PolarHBondContact O-N 3.13Å; Y213-S215 PolarHBondContact O-N 3.25Å; S215-Y506 WeakPolarHBondContact CB-OH 3.49Å; S215-Y506 PolarHBondContact OG-OH 2.71Å
216	Y	94.8	Very high	97.2	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.047	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-57.4	178.8	-169.2	-92.9	0	0	0	111.8	L171 R172 T173 Y213 G214 K218 G507 T508 L510	L171-Y216 WeakPolarHBondContact O-CE1 3.28Å; L171-Y216 PolarHBondContact O-OH 3.1Å; R172-Y216 HydrophobicContact CB-CD1 3.94Å; R172-Y216 HydrophobicContact CB-CE1 3.8Å; R172-Y216 VanDerWaalsContact NH1-CB 3.34Å; T173-Y216 HydrophobicContact CG2-CE1 4.49Å; Y213-Y216 AromaticContact CE2-CD1 3.84Å; Y213-Y216 HydrophobicContact CE2-CD1 3.84Å; Y213-Y216 CarbonylContact O-C 3.51Å; Y213-Y216 WeakPolarHBondContact O-CA 3.44Å; Y213-Y216 PolarHBondContact O-N 3.47Å; G214-Y216 PolarHBondContact O-N 3.23Å; Y216-K218 HydrophobicContact CD1-CB 4.14Å; Y216-K218 HydrophobicContact CD1-CD 4.38Å; Y216-K218 HydrophobicContact CD1-CG 3.93Å; Y216-K218 HydrophobicContact CE1-CB 3.82Å; Y216-K218 HydrophobicContact CE1-CD 3.62Å; Y216-K218 HydrophobicContact CE1-CG 3.63Å; Y216-K218 HydrophobicContact CE2-CD 4.36Å; Y216-K218 WeakPolarHBondContact O-CG 3.41Å; Y216-K218 PolarHBondContact O-N 2.88Å; Y216-K218 WeakPolarHBondContact OH-CD 3.37Å; Y216-K218 WeakPolarHBondContact OH-CE 3.46Å; Y216-K218 PolarHBondContact OH-NZ 2.74Å; Y216-G507 WeakPolarHBondContact CD2-O 3.47Å; Y216-T508 HydrophobicContact CD2-CG2 4.41Å; Y216-L510 HydrophobicContact CD2-CD1 4.48Å; Y216-L510 HydrophobicContact CE2-CD1 4.14Å
217	A	92.3	Very high	97.2	Very high	35 Å²	35	32.3 Å²	32.3	29%	0.289	17%	0.168	S	C	.	.			trans	43.3	36.3	164.7	0	0	0	0	0	116.5	Y213 L250	Y213-A217 PolarHBondContact O-N 3.36Å; A217-L250 HydrophobicContact CB-CB 3.79Å; A217-L250 HydrophobicContact CB-CD1 3.83Å; A217-L250 HydrophobicContact CB-CG 4.41Å
218	K	94	Very high	97.2	Very high	102 Å²	102	37.4 Å²	37.4	44%	0.443	19%	0.192	S	C	.	.			trans	-79.6	-18.7	-178.4	-68	-168.2	-169.5	167	0	114	T173 Y216 T508 D511	T173-K218 HydrophobicContact CG2-CB 4.38Å; Y216-K218 HydrophobicContact CD1-CB 4.14Å; Y216-K218 HydrophobicContact CD1-CD 4.38Å; Y216-K218 HydrophobicContact CD1-CG 3.93Å; Y216-K218 HydrophobicContact CE1-CB 3.82Å; Y216-K218 HydrophobicContact CE1-CD 3.62Å; Y216-K218 HydrophobicContact CE1-CG 3.63Å; Y216-K218 HydrophobicContact CE2-CD 4.36Å; Y216-K218 WeakPolarHBondContact O-CG 3.41Å; Y216-K218 PolarHBondContact O-N 2.88Å; Y216-K218 WeakPolarHBondContact OH-CD 3.37Å; Y216-K218 WeakPolarHBondContact OH-CE 3.46Å; Y216-K218 PolarHBondContact OH-NZ 2.74Å; K218-T508 PolarHBondContact NZ-O 2.99Å; K218-D511 IonicContact NZ-OD2 3.66Å
219	D	96.8	Very high	97.2	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.134	19%	0.192	C	C	.	.			trans	-144.4	117.8	-173.7	-174.4	-24.3	0	0	0	110.8	T173 T174 Y213 K221 Y222	T173-D219 HydrophobicContact CG2-CB 4.12Å; T174-D219 WeakPolarHBondContact CB-OD2 3.34Å; T174-D219 PolarHBondContact N-OD2 2.91Å; T174-D219 PolarHBondContact OG1-OD2 2.93Å; Y213-D219 WeakPolarHBondContact CE1-O 3.36Å; Y213-D219 WeakPolarHBondContact OH-CA 3.45Å; Y213-D219 PolarHBondContact OH-N 3.28Å; Y213-D219 PolarHBondContact OH-O 3.06Å; D219-K221 VanDerWaalsContact C-N 3.31Å; D219-K221 PolarHBondContact O-N 3.2Å; D219-K221 WeakPolarHBondContact OD1-CA 3.39Å; D219-K221 WeakPolarHBondContact OD1-CB 3.36Å; D219-K221 PolarHBondContact OD1-N 3.2Å; D219-Y222 PolarHBondContact OD1-N 2.95Å
220	D	95.9	Very high	97.2	Very high	137 Å²	137	37.4 Å²	37.4	73%	0.733	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.5	-177.5	65.1	-21.7	0	0	0	113.8	P224	D220-P224 WeakPolarHBondContact O-CD 3.4Å
221	K	98.1	Very high	97.3	Very high	139 Å²	139	40.5 Å²	40.5	60%	0.604	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-15	178.3	-63.4	172.4	-171.9	172.9	0	112.8	T174 D219 P224 F225	T174-K221 HydrophobicContact CG2-CB 3.69Å; D219-K221 VanDerWaalsContact C-N 3.31Å; D219-K221 PolarHBondContact O-N 3.2Å; D219-K221 WeakPolarHBondContact OD1-CA 3.39Å; D219-K221 WeakPolarHBondContact OD1-CB 3.36Å; D219-K221 PolarHBondContact OD1-N 3.2Å; K221-P224 WeakPolarHBondContact O-CD 3.37Å; K221-F225 PolarHBondContact O-N 3.33Å; K221-F225 VanDerWaalsContact O-N 3.13Å
222	Y	98.6	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-48.6	-175.7	174.5	-111.7	0	0	0	113.1	P148 R172 T173 F178 E210 Y213 D219 F225 I226	P148-Y222 WeakPolarHBondContact CG-OH 3.4Å; R172-Y222 HydrophobicContact CB-CE1 4Å; T173-Y222 WeakPolarHBondContact O-CD2 3.12Å; F178-Y222 HydrophobicContact CD1-CE2 4.14Å; F178-Y222 AromaticContact CE1-CE2 3.63Å; F178-Y222 HydrophobicContact CE1-CE2 3.63Å; F178-Y222 AromaticContact CE1-CZ 3.91Å; E210-Y222 HydrophobicContact CG-CE1 3.85Å; E210-Y222 PolarHBondContact OE1-OH 3.17Å; Y213-Y222 AromaticContact CD2-CD1 3.75Å; Y213-Y222 HydrophobicContact CD2-CD1 3.75Å; Y213-Y222 AromaticContact CD2-CE1 3.86Å; Y213-Y222 HydrophobicContact CD2-CE1 3.86Å; Y213-Y222 HydrophobicContact CE1-CD1 4.28Å; Y213-Y222 AromaticContact CE2-CD1 3.3Å; Y213-Y222 HydrophobicContact CE2-CD1 3.3Å; Y213-Y222 AromaticContact CE2-CE1 3.75Å; Y213-Y222 HydrophobicContact CE2-CE1 3.75Å; Y213-Y222 HydrophobicContact CE2-CG 4.31Å; Y213-Y222 HydrophobicContact CG-CD1 4.43Å; Y213-Y222 AromaticContact CZ-CD1 3.58Å; D219-Y222 PolarHBondContact OD1-N 2.95Å; Y222-F225 HydrophobicContact CD2-CD1 4.46Å; Y222-F225 WeakPolarHBondContact O-CA 3.35Å; Y222-F225 WeakPolarHBondContact O-CB 3.41Å; Y222-F225 PolarHBondContact O-N 2.89Å; Y222-I226 HydrophobicContact CD1-CG1 4.45Å; Y222-I226 HydrophobicContact CD2-CD1 4.4Å; Y222-I226 HydrophobicContact CD2-CG1 4.05Å; Y222-I226 HydrophobicContact CE1-CG1 3.99Å; Y222-I226 HydrophobicContact CE2-CD1 3.54Å; Y222-I226 HydrophobicContact CE2-CG1 3.49Å; Y222-I226 VanDerWaalsContact CE2-CG1 3.49Å; Y222-I226 VanDerWaalsContact CZ-CG1 3.47Å; Y222-I226 PolarHBondContact O-N 2.99Å
223	M	98.5	Very high	97.3	Very high	7 Å²	7	46 Å²	46	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-43.6	178.9	-70.8	-61.9	-76.5	0	0	113.2	V209 E210 Y213 F225 I226 K227 T241 G251 V253	V209-M223 HydrophobicContact CB-CE 4.42Å; V209-M223 HydrophobicContact CG1-CE 4.14Å; E210-M223 HydrophobicContact CB-CE 3.69Å; E210-M223 HydrophobicContact CB-SD 3.42Å; E210-M223 WeakPolarHBondContact CB-SD 3.35Å; E210-M223 HydrophobicContact CG-SD 4.03Å; Y213-M223 VanDerWaalsContact CB-SD 3.58Å; Y213-M223 HydrophobicContact CD1-CG 3.27Å; Y213-M223 HydrophobicContact CD1-SD 3.89Å; Y213-M223 HydrophobicContact CD2-SD 4.35Å; Y213-M223 HydrophobicContact CE1-CG 3.78Å; Y213-M223 HydrophobicContact CG-CG 3.74Å; Y213-M223 HydrophobicContact CG-SD 3.67Å; M223-F225 VanDerWaalsContact C-N 3.31Å; M223-F225 PolarHBondContact O-N 3.44Å; M223-I226 PolarHBondContact O-N 3.46Å; M223-K227 WeakPolarHBondContact O-CB 3.47Å; M223-K227 PolarHBondContact O-N 3.37Å; M223-T241 HydrophobicContact CE-CG2 3.66Å; M223-G251 WeakPolarHBondContact CE-O 3.32Å; M223-V253 HydrophobicContact CB-CB 4.07Å; M223-V253 HydrophobicContact CB-CG2 4.16Å; M223-V253 HydrophobicContact CE-CG1 4.42Å
224	P	98.6	Very high	97.3	Very high	62 Å²	62	47.2 Å²	47.2	40%	0.403	25%	0.254	S	S	.	.	H	α-helix	trans	-54.5	-42.3	168.1	-28.9	34.7	0	0	0	114.1	D220 K221 E228 V253	D220-P224 WeakPolarHBondContact O-CD 3.4Å; K221-P224 WeakPolarHBondContact O-CD 3.37Å; P224-E228 WeakPolarHBondContact O-CB 3.27Å; P224-E228 PolarHBondContact O-N 3.37Å; P224-V253 HydrophobicContact CG-CG2 4.41Å
225	F	98.8	Very high	97.4	Very high	50 Å²	50	47 Å²	47	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-50.3	177.2	165.3	-94.5	0	0	0	111.9	T174 T179 V182 K221 Y222 M223 K227 E228 A229	T174-F225 HydrophobicContact CG2-CB 4.49Å; T179-F225 VanDerWaalsContact CB-CZ 3.45Å; T179-F225 HydrophobicContact CG2-CD1 3.86Å; T179-F225 HydrophobicContact CG2-CD2 4.43Å; T179-F225 HydrophobicContact CG2-CE1 3.59Å; T179-F225 HydrophobicContact CG2-CE2 4.19Å; T179-F225 HydrophobicContact CG2-CG 4.29Å; T179-F225 HydrophobicContact CG2-CZ 3.78Å; V182-F225 HydrophobicContact CB-CE1 4.43Å; V182-F225 HydrophobicContact CG1-CE1 4.19Å; K221-F225 PolarHBondContact O-N 3.33Å; K221-F225 VanDerWaalsContact O-N 3.13Å; Y222-F225 HydrophobicContact CD2-CD1 4.46Å; Y222-F225 WeakPolarHBondContact O-CA 3.35Å; Y222-F225 WeakPolarHBondContact O-CB 3.41Å; Y222-F225 PolarHBondContact O-N 2.89Å; M223-F225 VanDerWaalsContact C-N 3.31Å; M223-F225 PolarHBondContact O-N 3.44Å; F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 3.34Å; F225-E228 PolarHBondContact O-N 3.2Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 2.91Å
226	I	98.8	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-43.8	-179.3	-63.3	-62.4	0	0	0	111.2	P148 V182 F186 V209 Y222 M223 E228 A229 L230	P148-I226 HydrophobicContact CG-CD1 3.99Å; V182-I226 HydrophobicContact CG1-CD1 3.72Å; F186-I226 HydrophobicContact CE2-CG2 4.18Å; V209-I226 HydrophobicContact CG1-CB 4.14Å; V209-I226 HydrophobicContact CG1-CG2 3.81Å; V209-I226 WeakPolarHBondContact O-CG2 3.36Å; Y222-I226 HydrophobicContact CD1-CG1 4.45Å; Y222-I226 HydrophobicContact CD2-CD1 4.4Å; Y222-I226 HydrophobicContact CD2-CG1 4.05Å; Y222-I226 HydrophobicContact CE1-CG1 3.99Å; Y222-I226 HydrophobicContact CE2-CD1 3.54Å; Y222-I226 HydrophobicContact CE2-CG1 3.49Å; Y222-I226 VanDerWaalsContact CE2-CG1 3.49Å; Y222-I226 VanDerWaalsContact CZ-CG1 3.47Å; Y222-I226 PolarHBondContact O-N 2.99Å; M223-I226 PolarHBondContact O-N 3.46Å; I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.4Å; I226-A229 WeakPolarHBondContact O-CB 3.46Å; I226-A229 PolarHBondContact O-N 2.88Å; I226-L230 HydrophobicContact CG2-CD1 4.45Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.45Å
227	K	98.8	Very high	97.8	Very high	42 Å²	42	49.6 Å²	49.6	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-48.6	175.5	-173.6	-168.2	60.7	166.9	0	111.3	V209 M223 F225 A229 L230 L231 L239 V253 K254	V209-K227 HydrophobicContact CG1-CB 3.95Å; V209-K227 HydrophobicContact CG2-CG 4.49Å; M223-K227 WeakPolarHBondContact O-CB 3.47Å; M223-K227 PolarHBondContact O-N 3.37Å; F225-K227 VanDerWaalsContact C-N 3.34Å; F225-K227 PolarHBondContact O-N 3.34Å; K227-A229 VanDerWaalsContact C-N 3.33Å; K227-L230 PolarHBondContact O-N 3.46Å; K227-L231 HydrophobicContact CD-CD1 4.5Å; K227-L231 HydrophobicContact CG-CD1 4.13Å; K227-L231 WeakPolarHBondContact O-CG 3.43Å; K227-L231 PolarHBondContact O-N 3.18Å; K227-L239 HydrophobicContact CD-CD1 4.36Å; K227-L239 HydrophobicContact CG-CD1 3.63Å; K227-V253 HydrophobicContact CB-CG2 4.42Å; K227-V253 HydrophobicContact CD-CG1 4.29Å; K227-V253 HydrophobicContact CD-CG2 4.09Å; K227-K254 PolarHBondContact NZ-O 2.78Å
228	E	98.8	Very high	98.2	Very high	106 Å²	106	49.4 Å²	49.4	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-36.6	178.8	-171.4	56.2	-141.7	0	0	111.9	P224 F225 I226 L230 L231 S232	P224-E228 WeakPolarHBondContact O-CB 3.27Å; P224-E228 PolarHBondContact O-N 3.37Å; F225-E228 PolarHBondContact O-N 3.2Å; I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.4Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 3.27Å; E228-L231 PolarHBondContact O-N 3.19Å; E228-S232 VanDerWaalsContact O-CB 3.27Å; E228-S232 WeakPolarHBondContact O-CB 3.41Å; E228-S232 PolarHBondContact O-N 3.04Å; E228-S232 PolarHBondContact O-OG 2.99Å
229	A	98.8	Very high	98.4	Very high	4 Å²	4	45 Å²	45	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-37.8	176.3	0	0	0	0	0	112	F186 F225 I226 K227 S232 R233	F186-A229 HydrophobicContact CD2-CB 3.97Å; F186-A229 HydrophobicContact CE2-CB 4.42Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 2.91Å; I226-A229 WeakPolarHBondContact O-CB 3.46Å; I226-A229 PolarHBondContact O-N 2.88Å; K227-A229 VanDerWaalsContact C-N 3.33Å; A229-S232 PolarHBondContact O-OG 2.98Å; A229-R233 WeakPolarHBondContact O-CB 3.49Å; A229-R233 VanDerWaalsContact O-CD 3.25Å; A229-R233 WeakPolarHBondContact O-CD 3.45Å; A229-R233 VanDerWaalsContact O-CG 3.27Å; A229-R233 WeakPolarHBondContact O-CG 3.47Å; A229-R233 PolarHBondContact O-NH1 3.25Å
230	L	98.9	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-50.2	173.6	-66	171.5	0	0	0	112	P146 F186 I190 V207 V209 I226 K227 E228 R233 G234 I235	P146-L230 HydrophobicContact CG-CD2 4.02Å; F186-L230 HydrophobicContact CD2-CD2 4.02Å; F186-L230 HydrophobicContact CE2-CD2 3.59Å; F186-L230 HydrophobicContact CE2-CG 3.96Å; F186-L230 HydrophobicContact CZ-CD2 4.06Å; I190-L230 HydrophobicContact CD1-CD2 3.6Å; I190-L230 HydrophobicContact CG1-CD2 4.33Å; V207-L230 HydrophobicContact CG1-CD1 4.39Å; V209-L230 HydrophobicContact CB-CD1 4.49Å; V209-L230 HydrophobicContact CG1-CD1 4.48Å; I226-L230 HydrophobicContact CG2-CD1 4.45Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.45Å; K227-L230 PolarHBondContact O-N 3.46Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 3.27Å; L230-R233 PolarHBondContact O-N 3.2Å; L230-G234 PolarHBondContact O-N 3.26Å; L230-I235 HydrophobicContact CB-CB 4.23Å; L230-I235 HydrophobicContact CB-CG1 4.13Å; L230-I235 HydrophobicContact CD2-CG1 4.36Å; L230-I235 WeakPolarHBondContact O-CB 3.34Å; L230-I235 WeakPolarHBondContact O-CG1 3.19Å; L230-I235 PolarHBondContact O-N 2.81Å; L230-I235 VanDerWaalsContact O-N 3.14Å
231	L	98.8	Very high	98.6	Very high	69 Å²	69	37.5 Å²	37.5	36%	0.361	20%	0.201	S	C	.	.	H	α-helix	trans	-63	-48.4	-176.1	-69.8	175.6	0	0	0	112.1	K227 E228 R233 G234 I235 L239	K227-L231 HydrophobicContact CD-CD1 4.5Å; K227-L231 HydrophobicContact CG-CD1 4.13Å; K227-L231 WeakPolarHBondContact O-CG 3.43Å; K227-L231 PolarHBondContact O-N 3.18Å; E228-L231 PolarHBondContact O-N 3.19Å; L231-R233 PolarHBondContact O-N 3.11Å; L231-R233 VanDerWaalsContact O-N 3.15Å; L231-G234 PolarHBondContact O-N 3.07Å; L231-I235 WeakPolarHBondContact CD2-O 3.26Å; L231-L239 HydrophobicContact CD1-CD1 4.35Å; L231-L239 HydrophobicContact CD2-CD1 3.8Å; L231-L239 HydrophobicContact CG-CD1 4.01Å
232	S	98.6	Very high	98.6	Very high	78 Å²	78	30.9 Å²	30.9	55%	0.545	17%	0.172	S	C	.	.	H	α-helix	trans	-62.5	-21.4	-179.7	58.7	0	0	0	0	113.5	E228 A229	E228-S232 VanDerWaalsContact O-CB 3.27Å; E228-S232 WeakPolarHBondContact O-CB 3.41Å; E228-S232 PolarHBondContact O-N 3.04Å; E228-S232 PolarHBondContact O-OG 2.99Å; A229-S232 PolarHBondContact O-OG 2.98Å
233	R	98.6	Very high	98.6	Very high	52 Å²	52	30.9 Å²	30.9	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.6	177.3	-68.6	175.8	174.9	75.9	4.3	114.1	N183 D187 I190 A229 L230 L231	N183-R233 PolarHBondContact O-NH2 2.99Å; N183-R233 PolarHBondContact OD1-NH1 3.16Å; N183-R233 PolarHBondContact OD1-NH2 3.4Å; D187-R233 IonicContact OD1-CZ 3.62Å; D187-R233 IonicContact OD1-NE 3.85Å; D187-R233 PolarHBondContact OD1-NE 3.04Å; D187-R233 IonicContact OD1-NH2 2.86Å; D187-R233 PolarHBondContact OD1-NH2 2.92Å; D187-R233 IonicContact OD2-NH2 2.72Å; I190-R233 HydrophobicContact CB-CB 3.87Å; I190-R233 HydrophobicContact CG1-CB 4.27Å; I190-R233 HydrophobicContact CG2-CB 3.59Å; I190-R233 VanDerWaalsContact CG2-O 3.3Å; I190-R233 WeakPolarHBondContact CG2-O 3.32Å; A229-R233 WeakPolarHBondContact O-CB 3.49Å; A229-R233 VanDerWaalsContact O-CD 3.25Å; A229-R233 WeakPolarHBondContact O-CD 3.45Å; A229-R233 VanDerWaalsContact O-CG 3.27Å; A229-R233 WeakPolarHBondContact O-CG 3.47Å; A229-R233 PolarHBondContact O-NH1 3.25Å; L230-R233 PolarHBondContact O-N 3.2Å; L231-R233 PolarHBondContact O-N 3.11Å; L231-R233 VanDerWaalsContact O-N 3.15Å
234	G	98.3	Very high	98.4	Very high	29 Å²	29	31.8 Å²	31.8	30%	0.299	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.8	9.2	170.1	0	0	0	0	0	115.1	Q197 L230 L231 T236	Q197-G234 PolarHBondContact NE2-O 3.26Å; L230-G234 PolarHBondContact O-N 3.26Å; L231-G234 PolarHBondContact O-N 3.07Å; G234-T236 PolarHBondContact O-N 3.4Å
235	I	98.7	Very high	98	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	18%	0.18	C	C	.	.			trans	-69.6	121.1	168.1	-59.6	-55.9	0	0	0	109.5	I190 V193 Q197 V207 L230 L231 L239	I190-I235 HydrophobicContact CD1-CD1 4.23Å; I190-I235 HydrophobicContact CD1-CG1 4.17Å; I190-I235 HydrophobicContact CG2-CD1 3.79Å; I190-I235 HydrophobicContact CG2-CG1 3.85Å; V193-I235 HydrophobicContact CG2-CD1 4.25Å; Q197-I235 VanDerWaalsContact OE1-CA 3.28Å; V207-I235 HydrophobicContact CB-CG2 4.02Å; V207-I235 HydrophobicContact CG1-CG2 4.37Å; V207-I235 HydrophobicContact CG2-CD1 4.44Å; V207-I235 HydrophobicContact CG2-CG2 3.79Å; L230-I235 HydrophobicContact CB-CB 4.23Å; L230-I235 HydrophobicContact CB-CG1 4.13Å; L230-I235 HydrophobicContact CD2-CG1 4.36Å; L230-I235 WeakPolarHBondContact O-CB 3.34Å; L230-I235 WeakPolarHBondContact O-CG1 3.19Å; L230-I235 PolarHBondContact O-N 2.81Å; L230-I235 VanDerWaalsContact O-N 3.14Å; L231-I235 WeakPolarHBondContact CD2-O 3.26Å; I235-L239 HydrophobicContact CG2-CD2 3.81Å
236	T	97.9	Very high	97.5	Very high	84 Å²	84	37.8 Å²	37.8	52%	0.515	20%	0.203	S	C	.	.			trans	-121.5	-9.7	-179.2	58.5	0	0	0	0	113.8	S199 G234	S199-T236 PolarHBondContact OG-OG1 2.82Å; S199-T236 VanDerWaalsContact OG-OG1 3.08Å; G234-T236 PolarHBondContact O-N 3.4Å
237	E	98.5	Very high	97.2	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.079	20%	0.203	C	C	.	.	S	Bend	trans	-72.7	171.5	-179.7	-55.6	-50.7	153.7	0	0	112.6	Q197 Y198 S199 I204 L239	Q197-E237 HydrophobicContact CB-CG 4.02Å; Q197-E237 WeakPolarHBondContact CB-OE1 3.22Å; Q197-E237 HydrophobicContact CG-CG 4.05Å; Y198-E237 PolarHBondContact N-OE1 3.27Å; Y198-E237 VanDerWaalsContact N-OE1 3.1Å; S199-E237 WeakPolarHBondContact CB-OE1 3.27Å; S199-E237 PolarHBondContact N-OE1 3.21Å; S199-E237 PolarHBondContact OG-OE1 2.75Å; I204-E237 WeakPolarHBondContact O-CG 3.31Å; E237-L239 PolarHBondContact O-N 3.1Å; E237-L239 VanDerWaalsContact O-N 3.13Å
238	L	98.7	Very high	96.8	Very high	31 Å²	31	36 Å²	36	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	121.1	177.8	179	68.8	0	0	0	110.2	L58 A60 F65 A206 V207 L257	L58-L238 HydrophobicContact CD2-CD2 3.68Å; L58-L238 HydrophobicContact CG-CD2 4.12Å; A60-L238 HydrophobicContact CB-CD1 4.09Å; A60-L238 HydrophobicContact CB-CD2 4.03Å; F65-L238 HydrophobicContact CD1-CD2 4.39Å; F65-L238 HydrophobicContact CE1-CD2 3.85Å; A206-L238 CarbonylContact C-O 3.18Å; A206-L238 WeakPolarHBondContact CA-O 3.37Å; A206-L238 HydrophobicContact CB-CB 4.2Å; A206-L238 WeakPolarHBondContact CB-O 3.09Å; V207-L238 PolarHBondContact N-O 3.28Å; L238-L257 HydrophobicContact CD2-CD2 4.31Å
239	L	98.9	Very high	96.5	Very high	10 Å²	10	38 Å²	38	5%	0.052	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.9	171.3	-63.1	-173.8	0	0	0	110.7	V207 V209 K227 L231 I235 E237 A256 L257	V207-L239 HydrophobicContact CB-CD2 4.03Å; V207-L239 VanDerWaalsContact O-CA 3.3Å; V207-L239 WeakPolarHBondContact O-CA 3.41Å; V209-L239 HydrophobicContact CG2-CB 3.95Å; V209-L239 HydrophobicContact CG2-CD1 4.16Å; V209-L239 HydrophobicContact CG2-CD2 4.47Å; V209-L239 HydrophobicContact CG2-CG 4.44Å; K227-L239 HydrophobicContact CD-CD1 4.36Å; K227-L239 HydrophobicContact CG-CD1 3.63Å; L231-L239 HydrophobicContact CD1-CD1 4.35Å; L231-L239 HydrophobicContact CD2-CD1 3.8Å; L231-L239 HydrophobicContact CG-CD1 4.01Å; I235-L239 HydrophobicContact CG2-CD2 3.81Å; E237-L239 PolarHBondContact O-N 3.1Å; E237-L239 VanDerWaalsContact O-N 3.13Å; L239-A256 HydrophobicContact CB-CB 3.95Å; L239-A256 CarbonylContact O-C 3.59Å; L239-A256 WeakPolarHBondContact O-CA 3.41Å; L239-L257 PolarHBondContact O-N 3.08Å
240	L	98.6	Very high	96.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.6	174.4	62.5	85.7	0	0	0	113	I143 A206 V207 Q208 V209 L257 T259 M285	I143-L240 HydrophobicContact CG2-CD2 4.1Å; A206-L240 HydrophobicContact CB-CD2 3.91Å; V207-L240 PolarHBondContact O-N 2.92Å; Q208-L240 CarbonylContact C-O 3.57Å; Q208-L240 VanDerWaalsContact CA-O 3.3Å; Q208-L240 WeakPolarHBondContact CA-O 3.29Å; Q208-L240 HydrophobicContact CB-CD1 3.63Å; Q208-L240 HydrophobicContact CB-CG 4.37Å; Q208-L240 HydrophobicContact CG-CD1 3.79Å; V209-L240 PolarHBondContact N-O 3.45Å; L240-L257 CarbonylContact C-O 3.51Å; L240-L257 WeakPolarHBondContact CA-O 3.21Å; L240-L257 HydrophobicContact CB-CB 4.26Å; L240-L257 VanDerWaalsContact CB-O 3.28Å; L240-L257 WeakPolarHBondContact CB-O 3.33Å; L240-T259 HydrophobicContact CB-CG2 4.48Å; L240-M285 HydrophobicContact CD1-CE 3.5Å; L240-M285 VanDerWaalsContact CD1-CE 3.5Å; L240-M285 HydrophobicContact CD2-CE 3.35Å; L240-M285 HydrophobicContact CG-CE 4.07Å
241	T	98.6	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159	165.8	58.6	0	0	0	0	109.1	V209 M223 V253 A256 L257 T259	V209-T241 HydrophobicContact CB-CG2 4.27Å; M223-T241 HydrophobicContact CE-CG2 3.66Å; T241-V253 HydrophobicContact CG2-CG1 3.8Å; T241-A256 HydrophobicContact CG2-CB 4.25Å; T241-L257 PolarHBondContact N-O 3.44Å; T241-T259 WeakPolarHBondContact O-CB 3.45Å; T241-T259 PolarHBondContact O-N 2.79Å; T241-T259 PolarHBondContact O-OG1 2.97Å
242	S	98.1	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.1	175.5	66.8	0	0	0	0	110.3	R145 Q208 E212 T259 N261	R145-S242 PolarHBondContact NH2-OG 3.07Å; Q208-S242 PolarHBondContact NE2-OG 2.71Å; E212-S242 VanDerWaalsContact CA-O 3.23Å; E212-S242 WeakPolarHBondContact CA-O 3.47Å; E212-S242 PolarHBondContact N-O 2.82Å; E212-S242 VanDerWaalsContact N-O 3.12Å; S242-T259 WeakPolarHBondContact CA-O 3.47Å; S242-T259 WeakPolarHBondContact CA-OG1 3.32Å; S242-T259 VanDerWaalsContact CB-OG1 3.27Å; S242-T259 WeakPolarHBondContact CB-OG1 3.46Å; S242-N261 WeakPolarHBondContact CB-OD1 3.39Å; S242-N261 PolarHBondContact OG-ND2 3.22Å
243	D	97.8	Very high	95.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.8	178.6	-67.8	-90.5	0	0	0	110.3	E212 Y213 G214 L248 G251 T259 I260 N261	E212-D243 VanDerWaalsContact C-OD1 3.24Å; E212-D243 VanDerWaalsContact CA-OD1 3.29Å; E212-D243 WeakPolarHBondContact CA-OD1 3.19Å; Y213-D243 PolarHBondContact N-OD1 2.99Å; G214-D243 WeakPolarHBondContact CA-OD1 3.44Å; G214-D243 PolarHBondContact N-OD1 3.02Å; D243-L248 HydrophobicContact CB-CB 4.34Å; D243-G251 WeakPolarHBondContact OD2-CA 3.35Å; D243-T259 PolarHBondContact N-O 3.04Å; D243-I260 WeakPolarHBondContact O-CA 3.17Å; D243-N261 PolarHBondContact O-N 2.75Å
244	N	94.3	Very high	95.7	Very high	26 Å²	26	44.4 Å²	44.4	14%	0.139	23%	0.232	C	C	.	.			trans	-73.9	178.4	166.6	69.5	25.6	0	0	0	111.2	D246 G247 L248 W288	N244-D246 VanDerWaalsContact C-N 3.25Å; N244-D246 PolarHBondContact O-N 3.22Å; N244-D246 VanDerWaalsContact O-N 3.17Å; N244-D246 PolarHBondContact OD1-N 3.14Å; N244-G247 PolarHBondContact O-N 2.74Å; N244-G247 PolarHBondContact OD1-N 3.12Å; N244-L248 WeakPolarHBondContact O-CB 3.39Å; N244-L248 PolarHBondContact O-N 2.98Å; N244-W288 HydrophobicContact CB-CH2 4.25Å
245	K	90.4	Very high	95.6	Very high	105 Å²	105	46.4 Å²	46.4	46%	0.457	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-44.6	178.5	-176.9	175.6	-176.2	159	0	114.8	D266 E269	K245-D266 IonicContact NZ-OD2 3.26Å; K245-D266 PolarHBondContact NZ-OD2 3.19Å; K245-E269 HydrophobicContact CB-CG 4.01Å; K245-E269 WeakPolarHBondContact CB-OE1 3.28Å; K245-E269 HydrophobicContact CD-CG 4.15Å; K245-E269 WeakPolarHBondContact CD-OE1 3.45Å; K245-E269 HydrophobicContact CG-CG 3.91Å
246	D	88.6	Confident	95.6	Very high	132 Å²	132	47 Å²	47	71%	0.706	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-36.9	-173.5	-64.4	-32.1	0	0	0	111	N244	N244-D246 VanDerWaalsContact C-N 3.25Å; N244-D246 PolarHBondContact O-N 3.22Å; N244-D246 VanDerWaalsContact O-N 3.17Å; N244-D246 PolarHBondContact OD1-N 3.14Å
247	G	92.7	Very high	95.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.4	179.7	0	0	0	0	0	114.7	G214 N244 K249 L250 G251	G214-G247 VanDerWaalsContact C-CA 3.48Å; G214-G247 VanDerWaalsContact CA-O 3.28Å; G214-G247 WeakPolarHBondContact CA-O 3.4Å; N244-G247 PolarHBondContact O-N 2.74Å; N244-G247 PolarHBondContact OD1-N 3.12Å; G247-K249 PolarHBondContact O-N 3.4Å; G247-L250 PolarHBondContact O-N 2.83Å; G247-G251 PolarHBondContact O-N 3.27Å
248	L	91.3	Very high	95.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.7	-171	-173.3	61.4	0	0	0	114.3	D243 N244 L250 E258 I260 Y272 L273 I276	D243-L248 HydrophobicContact CB-CB 4.34Å; N244-L248 WeakPolarHBondContact O-CB 3.39Å; N244-L248 PolarHBondContact O-N 2.98Å; L248-L250 VanDerWaalsContact C-N 3.3Å; L248-L250 PolarHBondContact O-N 3.27Å; L248-E258 HydrophobicContact CD1-CB 4.49Å; L248-I260 HydrophobicContact CD1-CG2 4.17Å; L248-I260 HydrophobicContact CD2-CG2 3.7Å; L248-Y272 HydrophobicContact CB-CE1 4.47Å; L248-Y272 HydrophobicContact CD2-CD1 3.62Å; L248-Y272 HydrophobicContact CD2-CE1 4.01Å; L248-Y272 HydrophobicContact CG-CD1 4.15Å; L248-Y272 HydrophobicContact CG-CE1 4.02Å; L248-L273 HydrophobicContact CD1-CD1 4.07Å; L248-L273 HydrophobicContact CD2-CD1 4.23Å; L248-I276 HydrophobicContact CD1-CD1 4.31Å; L248-I276 HydrophobicContact CD2-CD1 4.44Å; L248-I276 HydrophobicContact CG-CD1 4.1Å
249	K	91.8	Very high	95.6	Very high	148 Å²	148	42.8 Å²	42.8	64%	0.643	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.9	177.8	-54.8	-169.8	177.2	168.8	0	114.1	G247 Y272	G247-K249 PolarHBondContact O-N 3.4Å; K249-Y272 HydrophobicContact CG-CE1 4Å; K249-Y272 WeakPolarHBondContact CG-OH 3.41Å
250	L	94.3	Very high	95.5	Very high	112 Å²	112	42.4 Å²	42.4	59%	0.586	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126	-17.6	-168	-61.9	176.8	0	0	0	113.4	A217 G247 L248	A217-L250 HydrophobicContact CB-CB 3.79Å; A217-L250 HydrophobicContact CB-CD1 3.83Å; A217-L250 HydrophobicContact CB-CG 4.41Å; G247-L250 PolarHBondContact O-N 2.83Å; L248-L250 VanDerWaalsContact C-N 3.3Å; L248-L250 PolarHBondContact O-N 3.27Å
251	G	93.7	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-88.1	-10	-175.9	0	0	0	0	0	115.5	M223 D243 G247	M223-G251 WeakPolarHBondContact CE-O 3.32Å; D243-G251 WeakPolarHBondContact OD2-CA 3.35Å; G247-G251 PolarHBondContact O-N 3.27Å
252	G	95.6	Very high	95.5	Very high	26 Å²	26	42.6 Å²	42.6	27%	0.268	23%	0.229	S	C	.	.			trans	-68.5	153.7	179.1	0	0	0	0	0	114.3
253	V	97.3	Very high	95.4	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.233	C	C	.	.			trans	-138.3	131.4	170.2	67.9	0	0	0	0	111.1	V209 M223 P224 K227 T241 G255 A256	V209-V253 HydrophobicContact CB-CG1 4.46Å; V209-V253 HydrophobicContact CG1-CG1 4.29Å; V209-V253 HydrophobicContact CG2-CG1 4.19Å; M223-V253 HydrophobicContact CB-CB 4.07Å; M223-V253 HydrophobicContact CB-CG2 4.16Å; M223-V253 HydrophobicContact CE-CG1 4.42Å; P224-V253 HydrophobicContact CG-CG2 4.41Å; K227-V253 HydrophobicContact CB-CG2 4.42Å; K227-V253 HydrophobicContact CD-CG1 4.29Å; K227-V253 HydrophobicContact CD-CG2 4.09Å; T241-V253 HydrophobicContact CG2-CG1 3.8Å; V253-G255 PolarHBondContact O-N 3.12Å; V253-A256 HydrophobicContact CG1-CB 3.69Å; V253-A256 PolarHBondContact O-N 3.46Å
254	K	96.6	Very high	95.2	Very high	191 Å²	191	49.9 Å²	49.9	83%	0.83	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126.2	-179.3	-179.2	178	179.8	-179.6	0	111.3	K227	K227-K254 PolarHBondContact NZ-O 2.78Å
255	G	95.9	Very high	95.2	Very high	70 Å²	70	50.5 Å²	50.5	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-7	179	0	0	0	0	0	114.5	V253	V253-G255 PolarHBondContact O-N 3.12Å
256	A	98.1	Very high	95.3	Very high	15 Å²	15	47.2 Å²	47.2	12%	0.124	25%	0.248	C	C	.	.	S	Bend	trans	-100.6	153.5	166.6	0	0	0	0	0	110.4	V209 L239 T241 V253	V209-A256 HydrophobicContact CG2-CB 4.1Å; L239-A256 HydrophobicContact CB-CB 3.95Å; L239-A256 CarbonylContact O-C 3.59Å; L239-A256 WeakPolarHBondContact O-CA 3.41Å; T241-A256 HydrophobicContact CG2-CB 4.25Å; V253-A256 HydrophobicContact CG1-CB 3.69Å; V253-A256 PolarHBondContact O-N 3.46Å
257	L	98.5	Very high	95.6	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.9	169.4	-179.1	74.9	0	0	0	109.6	A60 F65 L238 L239 L240 T241 T259 K280 P281	A60-L257 HydrophobicContact CB-CD1 4.04Å; A60-L257 HydrophobicContact CB-CD2 4.11Å; F65-L257 HydrophobicContact CE1-CD2 3.5Å; F65-L257 HydrophobicContact CZ-CD2 3.45Å; F65-L257 VanDerWaalsContact CZ-CD2 3.45Å; L238-L257 HydrophobicContact CD2-CD2 4.31Å; L239-L257 PolarHBondContact O-N 3.08Å; L240-L257 CarbonylContact C-O 3.51Å; L240-L257 WeakPolarHBondContact CA-O 3.21Å; L240-L257 HydrophobicContact CB-CB 4.26Å; L240-L257 VanDerWaalsContact CB-O 3.28Å; L240-L257 WeakPolarHBondContact CB-O 3.33Å; T241-L257 PolarHBondContact N-O 3.44Å; L257-T259 HydrophobicContact CD2-CG2 4.31Å; L257-T259 HydrophobicContact CG-CG2 4.45Å; L257-K280 HydrophobicContact CD1-CB 3.91Å; L257-K280 HydrophobicContact CD1-CD 4.44Å; L257-K280 HydrophobicContact CD1-CG 4.28Å; L257-P281 HydrophobicContact CD1-CG 4.4Å; L257-P281 HydrophobicContact CD2-CG 4.24Å
258	E	98.3	Very high	95.6	Very high	37 Å²	37	48.8 Å²	48.8	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.4	176.3	-61.7	178.8	-147.1	0	0	109.8	L248 L273 I276 Q277	L248-E258 HydrophobicContact CD1-CB 4.49Å; E258-L273 HydrophobicContact CB-CD1 4.15Å; E258-I276 WeakPolarHBondContact OE2-CD1 3.44Å; E258-Q277 PolarHBondContact O-NE2 3.13Å
259	T	98.4	Very high	95.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	163.8	-179.8	65	0	0	0	0	109.9	L240 T241 S242 D243 L257 M283 M285	L240-T259 HydrophobicContact CB-CG2 4.48Å; T241-T259 WeakPolarHBondContact O-CB 3.45Å; T241-T259 PolarHBondContact O-N 2.79Å; T241-T259 PolarHBondContact O-OG1 2.97Å; S242-T259 WeakPolarHBondContact CA-O 3.47Å; S242-T259 WeakPolarHBondContact CA-OG1 3.32Å; S242-T259 VanDerWaalsContact CB-OG1 3.27Å; S242-T259 WeakPolarHBondContact CB-OG1 3.46Å; D243-T259 PolarHBondContact N-O 3.04Å; L257-T259 HydrophobicContact CD2-CG2 4.31Å; L257-T259 HydrophobicContact CG-CG2 4.45Å; T259-M283 WeakPolarHBondContact CB-O 3.28Å; T259-M283 HydrophobicContact CG2-CB 3.93Å; T259-M283 HydrophobicContact CG2-CG 4.44Å; T259-M285 WeakPolarHBondContact OG1-CB 3.39Å
260	I	97.7	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.8	-173.1	54.2	-176.4	0	0	0	112.6	D243 L248 F262 V270 L273 M283 V284 M285 M319	D243-I260 WeakPolarHBondContact O-CA 3.17Å; L248-I260 HydrophobicContact CD1-CG2 4.17Å; L248-I260 HydrophobicContact CD2-CG2 3.7Å; I260-F262 HydrophobicContact CD1-CD1 4.12Å; I260-F262 HydrophobicContact CD1-CE1 3.59Å; I260-F262 HydrophobicContact CG1-CD1 4.19Å; I260-F262 HydrophobicContact CG1-CE1 3.88Å; I260-V270 HydrophobicContact CD1-CG2 4.18Å; I260-L273 HydrophobicContact CD1-CD2 4.18Å; I260-L273 HydrophobicContact CG1-CD2 4.32Å; I260-L273 HydrophobicContact CG2-CD1 4.11Å; I260-L273 HydrophobicContact CG2-CD2 4Å; I260-L273 HydrophobicContact CG2-CG 4.44Å; I260-M283 PolarHBondContact N-O 3.46Å; I260-M283 VanDerWaalsContact N-O 3.13Å; I260-V284 HydrophobicContact CG1-CG2 4.42Å; I260-V284 CarbonylContact O-C 3.5Å; I260-V284 WeakPolarHBondContact O-CA 3.48Å; I260-V284 WeakPolarHBondContact O-CG1 3.38Å; I260-M285 PolarHBondContact O-N 2.9Å; I260-M319 HydrophobicContact CD1-CE 3.83Å; I260-M319 HydrophobicContact CG1-CE 4.44Å
261	N	98.1	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.7	177.6	-64.6	-12.2	0	0	0	109.8	E212 S242 D243 E286 W288	E212-N261 WeakPolarHBondContact CG-ND2 3.28Å; E212-N261 PolarHBondContact OE1-ND2 3.1Å; S242-N261 WeakPolarHBondContact CB-OD1 3.39Å; S242-N261 PolarHBondContact OG-ND2 3.22Å; D243-N261 PolarHBondContact O-N 2.75Å; N261-E286 WeakPolarHBondContact CA-O 3.47Å; N261-E286 HydrophobicContact CB-CB 3.95Å; N261-E286 WeakPolarHBondContact OD1-CB 3.41Å; N261-E286 PolarHBondContact OD1-N 2.95Å; N261-W288 HydrophobicContact CB-CH2 4.42Å; N261-W288 HydrophobicContact CB-CZ2 3.86Å
262	F	97.3	Very high	96	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	160	175.8	57.9	-110.5	0	0	0	112.7	I260 R264 L265 V284 E286 F287 W288 V310 V314	I260-F262 HydrophobicContact CD1-CD1 4.12Å; I260-F262 HydrophobicContact CD1-CE1 3.59Å; I260-F262 HydrophobicContact CG1-CD1 4.19Å; I260-F262 HydrophobicContact CG1-CE1 3.88Å; F262-R264 WeakPolarHBondContact CB-O 3.42Å; F262-R264 VanDerWaalsContact CD2-C 3.49Å; F262-R264 VanDerWaalsContact CD2-O 3.27Å; F262-R264 WeakPolarHBondContact CD2-O 3.48Å; F262-R264 WeakPolarHBondContact CG-O 3.48Å; F262-L265 HydrophobicContact CE1-CD1 4.23Å; F262-L265 HydrophobicContact CE2-CB 4.23Å; F262-L265 HydrophobicContact CE2-CD1 4.42Å; F262-L265 HydrophobicContact CZ-CB 4.4Å; F262-L265 HydrophobicContact CZ-CD1 3.76Å; F262-V284 HydrophobicContact CD1-CG1 4.21Å; F262-V284 HydrophobicContact CD2-CG1 4.36Å; F262-V284 HydrophobicContact CE1-CB 4.41Å; F262-V284 HydrophobicContact CE1-CG1 3.94Å; F262-V284 HydrophobicContact CE1-CG2 3.61Å; F262-V284 HydrophobicContact CE2-CG1 4.1Å; F262-V284 HydrophobicContact CE2-CG2 4.16Å; F262-V284 HydrophobicContact CG-CG1 4.42Å; F262-V284 HydrophobicContact CZ-CB 4.27Å; F262-V284 HydrophobicContact CZ-CG1 3.89Å; F262-V284 HydrophobicContact CZ-CG2 3.32Å; F262-E286 PolarHBondContact N-O 2.91Å; F262-F287 HydrophobicContact CD2-CD2 4.32Å; F262-F287 HydrophobicContact CE2-CD2 4.21Å; F262-F287 WeakPolarHBondContact O-CA 3.48Å; F262-W288 PolarHBondContact O-N 2.95Å; F262-V310 HydrophobicContact CE2-CG1 4.28Å; F262-V314 HydrophobicContact CE2-CG2 4.03Å; F262-V314 HydrophobicContact CZ-CG2 3.85Å
263	Q	95.9	Very high	96	Very high	18 Å²	18	45 Å²	45	8%	0.084	23%	0.227	C	C	.	.	S	Bend	trans	-92.4	-32.5	164.3	-173.6	161.1	72.3	0	0	112.5	F287 W288 G290 F302 V649	Q263-F287 WeakPolarHBondContact O-CE2 3.25Å; Q263-W288 HydrophobicContact CB-CB 4.07Å; Q263-W288 HydrophobicContact CB-CE3 3.93Å; Q263-W288 HydrophobicContact CG-CB 4.48Å; Q263-W288 WeakPolarHBondContact CG-O 3.49Å; Q263-W288 VanDerWaalsContact N-CE3 3.31Å; Q263-W288 PolarHBondContact NE2-O 2.9Å; Q263-G290 PolarHBondContact NE2-O 3.36Å; Q263-G290 VanDerWaalsContact NE2-O 3.14Å; Q263-F302 HydrophobicContact CG-CD1 3.97Å; Q263-F302 HydrophobicContact CG-CE1 3.61Å; Q263-F302 HydrophobicContact CG-CZ 4.17Å; Q263-V649 VanDerWaalsContact OE1-CG2 3.26Å
264	R	94.3	Very high	95.9	Very high	137 Å²	137	47.7 Å²	47.7	52%	0.517	24%	0.241	S	C	.	.	S	Bend	trans	-122.5	140.1	-179.4	-62.6	-174.4	-179.8	160.5	7.3	110	F262 D266 V649 Q650	F262-R264 WeakPolarHBondContact CB-O 3.42Å; F262-R264 VanDerWaalsContact CD2-C 3.49Å; F262-R264 VanDerWaalsContact CD2-O 3.27Å; F262-R264 WeakPolarHBondContact CD2-O 3.48Å; F262-R264 WeakPolarHBondContact CG-O 3.48Å; R264-D266 PolarHBondContact O-N 3.04Å; R264-V649 PolarHBondContact NH2-O 3Å; R264-Q650 PolarHBondContact NH1-OXT 3.27Å; R264-Q650 VanDerWaalsContact NH2-C 3.28Å; R264-Q650 PolarHBondContact NH2-OXT 2.94Å
265	L	94.2	Very high	95.8	Very high	39 Å²	39	45.1 Å²	45.1	20%	0.204	23%	0.232	C	C	.	.			trans	-74.3	115.8	-179.9	176.4	65.4	0	0	0	110.8	F262 V270 V310 E313 V314 L317	F262-L265 HydrophobicContact CE1-CD1 4.23Å; F262-L265 HydrophobicContact CE2-CB 4.23Å; F262-L265 HydrophobicContact CE2-CD1 4.42Å; F262-L265 HydrophobicContact CZ-CB 4.4Å; F262-L265 HydrophobicContact CZ-CD1 3.76Å; L265-V270 HydrophobicContact CD1-CG2 3.74Å; L265-V310 HydrophobicContact CB-CG1 4.11Å; L265-E313 HydrophobicContact CD2-CB 3.75Å; L265-V314 HydrophobicContact CD1-CG2 4.47Å; L265-L317 HydrophobicContact CD1-CD1 4.31Å; L265-L317 HydrophobicContact CD2-CD1 3.9Å
266	D	93.4	Very high	95.7	Very high	36 Å²	36	44.6 Å²	44.6	19%	0.193	21%	0.212	C	C	.	.			trans	-102.3	114.5	162.8	-176.5	-8.1	0	0	0	109.2	K245 R264 N268 E269 V270	K245-D266 IonicContact NZ-OD2 3.26Å; K245-D266 PolarHBondContact NZ-OD2 3.19Å; R264-D266 PolarHBondContact O-N 3.04Å; D266-N268 PolarHBondContact O-N 3.13Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 VanDerWaalsContact OD1-CB 3.29Å; D266-N268 WeakPolarHBondContact OD1-CB 3.4Å; D266-N268 PolarHBondContact OD1-N 2.92Å; D266-N268 PolarHBondContact OD1-ND2 3.42Å; D266-E269 HydrophobicContact CB-CG 3.93Å; D266-E269 WeakPolarHBondContact CB-OE1 3.5Å; D266-E269 WeakPolarHBondContact O-CB 3.5Å; D266-E269 PolarHBondContact O-N 2.83Å; D266-V270 PolarHBondContact O-N 3.37Å
267	I	94.4	Very high	95.5	Very high	74 Å²	74	44.9 Å²	44.9	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-23.6	-179.8	-163.8	59.9	0	0	0	112.6	V270 K271 L317	I267-V270 HydrophobicContact CD1-CB 4.32Å; I267-V270 PolarHBondContact O-N 3.43Å; I267-K271 WeakPolarHBondContact O-CG 3.42Å; I267-K271 PolarHBondContact O-N 2.72Å; I267-L317 HydrophobicContact CD1-CD1 4.04Å; I267-L317 HydrophobicContact CD1-CD2 4.49Å
268	N	93.6	Very high	95.3	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	23%	0.234	S	C	.	.	H	α-helix	trans	-71.9	-32.6	178.1	-57.8	-54.2	0	0	0	111.8	D266 V270 K271 Y272	D266-N268 PolarHBondContact O-N 3.13Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 VanDerWaalsContact OD1-CB 3.29Å; D266-N268 WeakPolarHBondContact OD1-CB 3.4Å; D266-N268 PolarHBondContact OD1-N 2.92Å; D266-N268 PolarHBondContact OD1-ND2 3.42Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-K271 PolarHBondContact O-N 3.16Å; N268-Y272 WeakPolarHBondContact O-CB 3.39Å; N268-Y272 PolarHBondContact O-N 2.75Å
269	E	92.9	Very high	95.1	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-42.8	172.1	-65.8	171.5	-156.7	0	0	110.5	K245 D266 K271 Y272 L273	K245-E269 HydrophobicContact CB-CG 4.01Å; K245-E269 WeakPolarHBondContact CB-OE1 3.28Å; K245-E269 HydrophobicContact CD-CG 4.15Å; K245-E269 WeakPolarHBondContact CD-OE1 3.45Å; K245-E269 HydrophobicContact CG-CG 3.91Å; D266-E269 HydrophobicContact CB-CG 3.93Å; D266-E269 WeakPolarHBondContact CB-OE1 3.5Å; D266-E269 WeakPolarHBondContact O-CB 3.5Å; D266-E269 PolarHBondContact O-N 2.83Å; E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 2.86Å; E269-Y272 PolarHBondContact O-N 3.2Å; E269-L273 WeakPolarHBondContact O-CB 3.35Å; E269-L273 PolarHBondContact O-N 2.82Å
270	V	95.2	Very high	95	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-37.9	176.8	-177.5	0	0	0	0	111.9	I260 L265 D266 I267 N268 N274 K282 M319	I260-V270 HydrophobicContact CD1-CG2 4.18Å; L265-V270 HydrophobicContact CD1-CG2 3.74Å; D266-V270 PolarHBondContact O-N 3.37Å; I267-V270 HydrophobicContact CD1-CB 4.32Å; I267-V270 PolarHBondContact O-N 3.43Å; N268-V270 VanDerWaalsContact C-N 3.34Å; V270-N274 WeakPolarHBondContact O-CB 3.48Å; V270-N274 PolarHBondContact O-N 3.05Å; V270-N274 VanDerWaalsContact O-N 3.14Å; V270-K282 HydrophobicContact CG1-CD 3.94Å; V270-M319 HydrophobicContact CG1-SD 4.22Å; V270-M319 HydrophobicContact CG2-CE 4.12Å; V270-M319 HydrophobicContact CG2-SD 4.07Å
271	K	95.2	Very high	95	Very high	112 Å²	112	58.2 Å²	58.2	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-48.6	174.4	-74	172.6	-173.9	171.8	0	111.1	I267 N268 E269 L273 N274 E275	I267-K271 WeakPolarHBondContact O-CG 3.42Å; I267-K271 PolarHBondContact O-N 2.72Å; N268-K271 PolarHBondContact O-N 3.16Å; E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 2.86Å; K271-L273 PolarHBondContact O-N 2.94Å; K271-N274 CarbonylContact O-C 3.56Å; K271-N274 WeakPolarHBondContact O-CA 3.27Å; K271-N274 VanDerWaalsContact O-CB 3.29Å; K271-N274 WeakPolarHBondContact O-CB 3.39Å; K271-N274 PolarHBondContact O-N 2.76Å; K271-E275 WeakPolarHBondContact O-CG 3.42Å; K271-E275 PolarHBondContact O-N 2.72Å
272	Y	95	Very high	95	Very high	70 Å²	70	60.6 Å²	60.6	28%	0.275	29%	0.289	S	S	.	.	H	α-helix	trans	-61.3	-43.5	178.7	-179.7	-106.1	0	0	0	111.9	L248 K249 N268 E269 N274 E275 I276	L248-Y272 HydrophobicContact CB-CE1 4.47Å; L248-Y272 HydrophobicContact CD2-CD1 3.62Å; L248-Y272 HydrophobicContact CD2-CE1 4.01Å; L248-Y272 HydrophobicContact CG-CD1 4.15Å; L248-Y272 HydrophobicContact CG-CE1 4.02Å; K249-Y272 HydrophobicContact CG-CE1 4Å; K249-Y272 WeakPolarHBondContact CG-OH 3.41Å; N268-Y272 WeakPolarHBondContact O-CB 3.39Å; N268-Y272 PolarHBondContact O-N 2.75Å; E269-Y272 PolarHBondContact O-N 3.2Å; Y272-N274 PolarHBondContact O-N 2.96Å; Y272-E275 WeakPolarHBondContact O-CB 3.33Å; Y272-E275 PolarHBondContact O-N 3.21Å; Y272-I276 HydrophobicContact CD1-CD1 4.31Å; Y272-I276 HydrophobicContact CD2-CG2 4.33Å; Y272-I276 HydrophobicContact CE1-CD1 3.91Å; Y272-I276 HydrophobicContact CE1-CG2 3.96Å; Y272-I276 HydrophobicContact CE2-CG2 3.74Å; Y272-I276 PolarHBondContact O-N 3.27Å
273	L	95.8	Very high	95	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.4	-40	172.9	-171	67.6	0	0	0	111.5	L248 E258 I260 E269 K271 E275 I276 Q277 K282	L248-L273 HydrophobicContact CD1-CD1 4.07Å; L248-L273 HydrophobicContact CD2-CD1 4.23Å; E258-L273 HydrophobicContact CB-CD1 4.15Å; I260-L273 HydrophobicContact CD1-CD2 4.18Å; I260-L273 HydrophobicContact CG1-CD2 4.32Å; I260-L273 HydrophobicContact CG2-CD1 4.11Å; I260-L273 HydrophobicContact CG2-CD2 4Å; I260-L273 HydrophobicContact CG2-CG 4.44Å; E269-L273 WeakPolarHBondContact O-CB 3.35Å; E269-L273 PolarHBondContact O-N 2.82Å; K271-L273 PolarHBondContact O-N 2.94Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-I276 HydrophobicContact CD1-CD1 4.27Å; L273-I276 WeakPolarHBondContact O-CG1 3.25Å; L273-Q277 HydrophobicContact CD1-CG 4.26Å; L273-Q277 HydrophobicContact CG-CG 4.36Å; L273-Q277 VanDerWaalsContact CG-NE2 3.34Å; L273-Q277 WeakPolarHBondContact O-CG 3.33Å; L273-Q277 PolarHBondContact O-N 3.48Å; L273-Q277 VanDerWaalsContact O-N 3.13Å; L273-K282 HydrophobicContact CD2-CB 4.43Å; L273-K282 HydrophobicContact CD2-CG 4.14Å
274	N	95.1	Very high	95.2	Very high	67 Å²	67	59.4 Å²	59.4	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-69.7	-29.6	176.7	-169	92.4	0	0	0	113.2	V270 K271 Y272 P278 K282	V270-N274 WeakPolarHBondContact O-CB 3.48Å; V270-N274 PolarHBondContact O-N 3.05Å; V270-N274 VanDerWaalsContact O-N 3.14Å; K271-N274 CarbonylContact O-C 3.56Å; K271-N274 WeakPolarHBondContact O-CA 3.27Å; K271-N274 VanDerWaalsContact O-CB 3.29Å; K271-N274 WeakPolarHBondContact O-CB 3.39Å; K271-N274 PolarHBondContact O-N 2.76Å; Y272-N274 PolarHBondContact O-N 2.96Å; N274-P278 VanDerWaalsContact O-CA 3.23Å; N274-P278 WeakPolarHBondContact O-CA 3.48Å; N274-K282 WeakPolarHBondContact OD1-CE 3.49Å; N274-K282 PolarHBondContact OD1-NZ 3.41Å
275	E	94.8	Very high	95.4	Very high	137 Å²	137	52.9 Å²	52.9	64%	0.64	26%	0.259	S	S	*	.	H	α-helix	trans	-72	-43.5	177.3	-71.6	167	-170.1	0	0	111.6	K271 Y272 L273	K271-E275 WeakPolarHBondContact O-CG 3.42Å; K271-E275 PolarHBondContact O-N 2.72Å; Y272-E275 WeakPolarHBondContact O-CB 3.33Å; Y272-E275 PolarHBondContact O-N 3.21Å; L273-E275 VanDerWaalsContact C-N 3.34Å
276	I	93.9	Very high	95.6	Very high	59 Å²	59	51.4 Å²	51.4	30%	0.303	25%	0.251	S	S	.	.	H	α-helix	trans	-77.8	-26.7	-178.5	68.7	-173.9	0	0	0	113	L248 E258 Y272 L273	L248-I276 HydrophobicContact CD1-CD1 4.31Å; L248-I276 HydrophobicContact CD2-CD1 4.44Å; L248-I276 HydrophobicContact CG-CD1 4.1Å; E258-I276 WeakPolarHBondContact OE2-CD1 3.44Å; Y272-I276 HydrophobicContact CD1-CD1 4.31Å; Y272-I276 HydrophobicContact CD2-CG2 4.33Å; Y272-I276 HydrophobicContact CE1-CD1 3.91Å; Y272-I276 HydrophobicContact CE1-CG2 3.96Å; Y272-I276 HydrophobicContact CE2-CG2 3.74Å; Y272-I276 PolarHBondContact O-N 3.27Å; L273-I276 HydrophobicContact CD1-CD1 4.27Å; L273-I276 WeakPolarHBondContact O-CG1 3.25Å
277	Q	94.5	Very high	95.8	Very high	21 Å²	21	49.7 Å²	49.7	10%	0.098	24%	0.242	C	C	.	.	S	Bend	trans	-138.1	70.9	177	56.8	166.1	-3.1	0	0	112.7	E258 L273 K280	E258-Q277 PolarHBondContact O-NE2 3.13Å; L273-Q277 HydrophobicContact CD1-CG 4.26Å; L273-Q277 HydrophobicContact CG-CG 4.36Å; L273-Q277 VanDerWaalsContact CG-NE2 3.34Å; L273-Q277 WeakPolarHBondContact O-CG 3.33Å; L273-Q277 PolarHBondContact O-N 3.48Å; L273-Q277 VanDerWaalsContact O-N 3.13Å; Q277-K280 HydrophobicContact CB-CB 4.23Å; Q277-K280 HydrophobicContact CB-CG 3.83Å; Q277-K280 HydrophobicContact CG-CB 4.25Å; Q277-K280 HydrophobicContact CG-CG 4.38Å; Q277-K280 WeakPolarHBondContact O-CB 3.49Å; Q277-K280 WeakPolarHBondContact O-CG 3.45Å; Q277-K280 PolarHBondContact O-N 3.2Å
278	P	94.3	Very high	96	Very high	82 Å²	82	48.1 Å²	48.1	53%	0.532	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	147.2	-178	26.5	-35.1	0	0	0	111.7	N274 K280	N274-P278 VanDerWaalsContact O-CA 3.23Å; N274-P278 WeakPolarHBondContact O-CA 3.48Å; P278-K280 PolarHBondContact O-N 3.1Å
279	Q	92.9	Very high	96.2	Very high	159 Å²	159	43.8 Å²	43.8	74%	0.743	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.9	178.7	-51.6	177.4	-1.7	0	0	114.3	S62 S63	S62-Q279 CarbonylContact C-O 3.52Å; S62-Q279 WeakPolarHBondContact CA-O 3.35Å; S62-Q279 VanDerWaalsContact O-O 3.06Å; S63-Q279 PolarHBondContact N-O 3.2Å
280	K	97	Very high	96.5	Very high	82 Å²	82	42.8 Å²	42.8	36%	0.357	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-98.3	154.9	168.9	-65.4	-56.5	-166.5	178.2	0	111.4	A60 S62 L257 Q277 P278	A60-K280 WeakPolarHBondContact O-CD 3.2Å; A60-K280 WeakPolarHBondContact O-CE 3.25Å; A60-K280 PolarHBondContact O-NZ 2.66Å; S62-K280 CarbonylContact O-C 3.54Å; L257-K280 HydrophobicContact CD1-CB 3.91Å; L257-K280 HydrophobicContact CD1-CD 4.44Å; L257-K280 HydrophobicContact CD1-CG 4.28Å; Q277-K280 HydrophobicContact CB-CB 4.23Å; Q277-K280 HydrophobicContact CB-CG 3.83Å; Q277-K280 HydrophobicContact CG-CB 4.25Å; Q277-K280 HydrophobicContact CG-CG 4.38Å; Q277-K280 WeakPolarHBondContact O-CB 3.49Å; Q277-K280 WeakPolarHBondContact O-CG 3.45Å; Q277-K280 PolarHBondContact O-N 3.2Å; P278-K280 PolarHBondContact O-N 3.1Å
281	P	97.6	Very high	96.6	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.013	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70.4	148.7	171.9	32.8	-32.3	0	0	0	109.8	A60 S62 S63 F65 L257	A60-P281 HydrophobicContact CB-CG 3.56Å; S62-P281 WeakPolarHBondContact O-CD 3.15Å; S62-P281 VanDerWaalsContact O-N 3.12Å; S63-P281 WeakPolarHBondContact O-CA 3.32Å; F65-P281 HydrophobicContact CD1-CB 4.19Å; F65-P281 HydrophobicContact CD1-CG 3.6Å; F65-P281 HydrophobicContact CD2-CB 3.61Å; F65-P281 HydrophobicContact CD2-CG 3.94Å; F65-P281 HydrophobicContact CE1-CB 4.26Å; F65-P281 HydrophobicContact CE1-CG 3.52Å; F65-P281 HydrophobicContact CE2-CB 3.67Å; F65-P281 HydrophobicContact CE2-CG 3.86Å; F65-P281 HydrophobicContact CG-CB 3.88Å; F65-P281 HydrophobicContact CG-CG 3.82Å; F65-P281 HydrophobicContact CZ-CB 4.01Å; F65-P281 HydrophobicContact CZ-CG 3.65Å; L257-P281 HydrophobicContact CD1-CG 4.4Å; L257-P281 HydrophobicContact CD2-CG 4.24Å
282	K	97.6	Very high	96.7	Very high	51 Å²	51	41.3 Å²	41.3	22%	0.222	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-103	136.7	179.9	-68.9	162	-177.8	158.3	0	109	V270 L273 N274 M319 S320	V270-K282 HydrophobicContact CG1-CD 3.94Å; L273-K282 HydrophobicContact CD2-CB 4.43Å; L273-K282 HydrophobicContact CD2-CG 4.14Å; N274-K282 WeakPolarHBondContact OD1-CE 3.49Å; N274-K282 PolarHBondContact OD1-NZ 3.41Å; K282-M319 HydrophobicContact CB-CB 4.34Å; K282-M319 HydrophobicContact CB-CE 4.16Å; K282-M319 HydrophobicContact CB-CG 3.73Å; K282-M319 HydrophobicContact CD-CG 4.49Å; K282-M319 WeakPolarHBondContact O-CA 3.15Å; K282-S320 PolarHBondContact O-N 2.74Å
283	M	98.2	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.4	178	-179.7	168.9	178	0	0	109.8	F65 I74 I143 T259 I260 M285 S320 N322	F65-M283 HydrophobicContact CE2-CB 4.13Å; F65-M283 HydrophobicContact CZ-CB 4.24Å; F65-M283 HydrophobicContact CZ-SD 4.38Å; I74-M283 HydrophobicContact CD1-SD 4.01Å; I74-M283 HydrophobicContact CG2-CE 3.82Å; I74-M283 HydrophobicContact CG2-SD 4.45Å; I143-M283 HydrophobicContact CD1-CE 3.75Å; I143-M283 HydrophobicContact CD1-SD 4.36Å; T259-M283 WeakPolarHBondContact CB-O 3.28Å; T259-M283 HydrophobicContact CG2-CB 3.93Å; T259-M283 HydrophobicContact CG2-CG 4.44Å; I260-M283 PolarHBondContact N-O 3.46Å; I260-M283 VanDerWaalsContact N-O 3.13Å; M283-M285 HydrophobicContact CE-CE 3.42Å; M283-M285 VanDerWaalsContact CE-CE 3.42Å; M283-M285 HydrophobicContact CE-SD 3.74Å; M283-M285 HydrophobicContact SD-CE 3.67Å; M283-S320 WeakPolarHBondContact CA-O 3.38Å; M283-N322 HydrophobicContact CE-CB 3.76Å
284	V	98.6	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	107.6	161.2	-168.4	0	0	0	0	106.6	I260 F262 F287 V314 M319 S320 I321 N322	I260-V284 HydrophobicContact CG1-CG2 4.42Å; I260-V284 CarbonylContact O-C 3.5Å; I260-V284 WeakPolarHBondContact O-CA 3.48Å; I260-V284 WeakPolarHBondContact O-CG1 3.38Å; F262-V284 HydrophobicContact CD1-CG1 4.21Å; F262-V284 HydrophobicContact CD2-CG1 4.36Å; F262-V284 HydrophobicContact CE1-CB 4.41Å; F262-V284 HydrophobicContact CE1-CG1 3.94Å; F262-V284 HydrophobicContact CE1-CG2 3.61Å; F262-V284 HydrophobicContact CE2-CG1 4.1Å; F262-V284 HydrophobicContact CE2-CG2 4.16Å; F262-V284 HydrophobicContact CG-CG1 4.42Å; F262-V284 HydrophobicContact CZ-CB 4.27Å; F262-V284 HydrophobicContact CZ-CG1 3.89Å; F262-V284 HydrophobicContact CZ-CG2 3.32Å; V284-F287 HydrophobicContact CG1-CB 3.95Å; V284-V314 HydrophobicContact CG2-CG1 3.77Å; V284-V314 HydrophobicContact CG2-CG2 4.26Å; V284-M319 HydrophobicContact CG2-CE 3.64Å; V284-S320 PolarHBondContact N-O 2.81Å; V284-I321 HydrophobicContact CB-CG1 4.28Å; V284-I321 CarbonylContact O-C 3.37Å; V284-I321 WeakPolarHBondContact O-CA 3.37Å; V284-N322 PolarHBondContact O-N 2.98Å
285	M	98.6	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-31.6	-177.8	-179.2	54.2	71.8	0	0	111.8	T105 I143 L240 T259 I260 M283 N322	T105-M285 HydrophobicContact CG2-SD 4.43Å; I143-M285 HydrophobicContact CD1-CE 4.04Å; I143-M285 HydrophobicContact CG2-CE 4.04Å; I143-M285 HydrophobicContact CG2-SD 4.43Å; L240-M285 HydrophobicContact CD1-CE 3.5Å; L240-M285 VanDerWaalsContact CD1-CE 3.5Å; L240-M285 HydrophobicContact CD2-CE 3.35Å; L240-M285 HydrophobicContact CG-CE 4.07Å; T259-M285 WeakPolarHBondContact OG1-CB 3.39Å; I260-M285 PolarHBondContact O-N 2.9Å; M283-M285 HydrophobicContact CE-CE 3.42Å; M283-M285 VanDerWaalsContact CE-CE 3.42Å; M283-M285 HydrophobicContact CE-SD 3.74Å; M283-M285 HydrophobicContact SD-CE 3.67Å; M285-N322 VanDerWaalsContact O-CB 3.28Å; M285-N322 WeakPolarHBondContact O-CB 3.37Å; M285-N322 PolarHBondContact O-ND2 3.31Å; M285-N322 HydrophobicContact SD-CB 4.42Å
286	E	98.6	Very high	97.2	Very high	9 Å²	9	33 Å²	33	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	101.4	167.9	-58.8	-176.3	-175.6	0	0	109.5	Y107 R145 N261 F262 W288 Y324	Y107-E286 PolarHBondContact OH-OE1 3.13Å; R145-E286 IonicContact CZ-OE1 3.93Å; R145-E286 IonicContact NH1-OE1 2.76Å; R145-E286 PolarHBondContact NH1-OE1 2.89Å; R145-E286 IonicContact NH2-OE1 3.94Å; R145-E286 PolarHBondContact NH2-OE1 2.94Å; N261-E286 WeakPolarHBondContact CA-O 3.47Å; N261-E286 HydrophobicContact CB-CB 3.95Å; N261-E286 WeakPolarHBondContact OD1-CB 3.41Å; N261-E286 PolarHBondContact OD1-N 2.95Å; F262-E286 PolarHBondContact N-O 2.91Å; E286-W288 PolarHBondContact OE2-NE1 3.33Å; E286-Y324 HydrophobicContact CB-CG 4.28Å; E286-Y324 HydrophobicContact CG-CD2 4.16Å; E286-Y324 HydrophobicContact CG-CG 4.2Å
287	F	98.7	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.6	162.6	174.8	-104.7	0	0	0	108.6	F262 Q263 V284 S289 F302 M307 V310 V311 I321 N322 M323 Y324	F262-F287 HydrophobicContact CD2-CD2 4.32Å; F262-F287 HydrophobicContact CE2-CD2 4.21Å; F262-F287 WeakPolarHBondContact O-CA 3.48Å; Q263-F287 WeakPolarHBondContact O-CE2 3.25Å; V284-F287 HydrophobicContact CG1-CB 3.95Å; F287-S289 PolarHBondContact O-N 2.77Å; F287-F302 HydrophobicContact CZ-CE1 4.06Å; F287-M307 HydrophobicContact CE1-CG 3.48Å; F287-M307 VanDerWaalsContact CE1-CG 3.48Å; F287-M307 HydrophobicContact CE1-SD 4.24Å; F287-M307 HydrophobicContact CZ-CG 3.7Å; F287-V310 HydrophobicContact CD2-CG1 4.42Å; F287-V310 HydrophobicContact CE2-CB 3.97Å; F287-V310 HydrophobicContact CE2-CG1 3.57Å; F287-V310 HydrophobicContact CZ-CB 4.18Å; F287-V310 HydrophobicContact CZ-CG1 4.28Å; F287-V311 HydrophobicContact CD1-CG2 4.11Å; F287-V311 HydrophobicContact CE1-CG2 3.56Å; F287-V311 HydrophobicContact CZ-CG2 3.84Å; F287-I321 HydrophobicContact CB-CD1 3.84Å; F287-I321 HydrophobicContact CB-CG1 3.79Å; F287-I321 HydrophobicContact CD1-CD1 4.1Å; F287-I321 HydrophobicContact CD2-CD1 4.32Å; F287-I321 HydrophobicContact CG-CD1 3.8Å; F287-I321 HydrophobicContact CG-CG1 4.32Å; F287-N322 PolarHBondContact N-O 2.97Å; F287-M323 HydrophobicContact CD1-CE 3.46Å; F287-M323 VanDerWaalsContact CD1-CE 3.46Å; F287-M323 HydrophobicContact CD1-SD 3.69Å; F287-M323 HydrophobicContact CE1-CE 3.6Å; F287-M323 HydrophobicContact CE1-SD 4.3Å; F287-Y324 CarbonylContact O-C 3.58Å; F287-Y324 PolarHBondContact O-N 3.32Å; F287-Y324 VanDerWaalsContact O-O 3.04Å
288	W	98.4	Very high	97.5	Very high	40 Å²	40	34.5 Å²	34.5	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	91.1	-175.3	-57.1	-43.3	0	0	0	111.6	N244 N261 F262 Q263 E286 G290 W291 Y324	N244-W288 HydrophobicContact CB-CH2 4.25Å; N261-W288 HydrophobicContact CB-CH2 4.42Å; N261-W288 HydrophobicContact CB-CZ2 3.86Å; F262-W288 PolarHBondContact O-N 2.95Å; Q263-W288 HydrophobicContact CB-CB 4.07Å; Q263-W288 HydrophobicContact CB-CE3 3.93Å; Q263-W288 HydrophobicContact CG-CB 4.48Å; Q263-W288 WeakPolarHBondContact CG-O 3.49Å; Q263-W288 VanDerWaalsContact N-CE3 3.31Å; Q263-W288 PolarHBondContact NE2-O 2.9Å; E286-W288 PolarHBondContact OE2-NE1 3.33Å; W288-G290 PolarHBondContact O-N 3Å; W288-W291 HydrophobicContact CB-CE3 4.25Å; W288-W291 HydrophobicContact CB-CZ3 4.04Å; W288-W291 HydrophobicContact CD2-CH2 4.43Å; W288-W291 AromaticContact CD2-CZ3 3.73Å; W288-W291 HydrophobicContact CD2-CZ3 3.73Å; W288-W291 HydrophobicContact CE3-CH2 4.3Å; W288-W291 AromaticContact CE3-CZ3 3.77Å; W288-W291 HydrophobicContact CE3-CZ3 3.77Å; W288-W291 HydrophobicContact CG-CE3 4.49Å; W288-W291 AromaticContact CG-CZ3 3.84Å; W288-W291 HydrophobicContact CG-CZ3 3.84Å; W288-Y324 CarbonylContact C-O 3.57Å; W288-Y324 WeakPolarHBondContact CA-O 3.36Å; W288-Y324 AromaticContact CD1-CD1 3.76Å
289	S	97.7	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.			trans	-72.5	-10.1	-170	61.4	0	0	0	0	115	F287 Y324 M325 K368	F287-S289 PolarHBondContact O-N 2.77Å; S289-Y324 PolarHBondContact N-O 2.79Å; S289-Y324 PolarHBondContact OG-O 3.19Å; S289-M325 PolarHBondContact OG-N 2.87Å; S289-M325 PolarHBondContact OG-O 2.85Å; S289-K368 PolarHBondContact O-NZ 2.97Å
290	G	98.1	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-168	-145.9	174.8	0	0	0	0	0	106.9	Q263 W288 Y355	Q263-G290 PolarHBondContact NE2-O 3.36Å; Q263-G290 VanDerWaalsContact NE2-O 3.14Å; W288-G290 PolarHBondContact O-N 3Å; G290-Y355 CarbonylContact C-O 3.58Å; G290-Y355 WeakPolarHBondContact CA-O 3.47Å; G290-Y355 VanDerWaalsContact O-CE1 3.26Å; G290-Y355 WeakPolarHBondContact O-CE1 3.49Å
291	W	98.2	Very high	98	Very high	73 Å²	73	23 Å²	23	28%	0.277	13%	0.129	S	C	.	.			trans	-155.7	165.1	-178.9	-154.9	-111	0	0	0	112.3	W288 H300 Y355 V649	W288-W291 HydrophobicContact CB-CE3 4.25Å; W288-W291 HydrophobicContact CB-CZ3 4.04Å; W288-W291 HydrophobicContact CD2-CH2 4.43Å; W288-W291 AromaticContact CD2-CZ3 3.73Å; W288-W291 HydrophobicContact CD2-CZ3 3.73Å; W288-W291 HydrophobicContact CE3-CH2 4.3Å; W288-W291 AromaticContact CE3-CZ3 3.77Å; W288-W291 HydrophobicContact CE3-CZ3 3.77Å; W288-W291 HydrophobicContact CG-CE3 4.49Å; W288-W291 AromaticContact CG-CZ3 3.84Å; W288-W291 HydrophobicContact CG-CZ3 3.84Å; W291-H300 HydrophobicContact CB-CB 3.73Å; W291-Y355 PolarHBondContact N-O 2.83Å; W291-Y355 VanDerWaalsContact N-O 3.16Å; W291-Y355 CarbonylContact O-C 3.59Å; W291-Y355 VanDerWaalsContact O-CA 3.31Å; W291-Y355 WeakPolarHBondContact O-CA 3.29Å; W291-V649 HydrophobicContact CB-CG1 3.58Å; W291-V649 HydrophobicContact CG-CG1 4.42Å
292	F	97.7	Very high	98	Very high	15 Å²	15	23.3 Å²	23.3	7%	0.066	13%	0.13	C	C	.	.			trans	-86.9	164.6	176.7	63.9	-94.1	0	0	0	112	E153 L294 H300 F339 M349 Y353 Y355	E153-F292 HydrophobicContact CG-CB 3.99Å; E153-F292 HydrophobicContact CG-CD1 3.35Å; E153-F292 HydrophobicContact CG-CD2 4.2Å; E153-F292 HydrophobicContact CG-CE1 3.79Å; E153-F292 HydrophobicContact CG-CG 3.57Å; E153-F292 HydrophobicContact CG-CZ 4.4Å; F292-L294 HydrophobicContact CD2-CD2 4.28Å; F292-L294 HydrophobicContact CE2-CD2 3.93Å; F292-L294 HydrophobicContact CE2-CG 4.25Å; F292-H300 PolarHBondContact O-ND1 3.34Å; F292-H300 VanDerWaalsContact O-ND1 3.08Å; F292-F339 HydrophobicContact CE2-CB 4.48Å; F292-F339 HydrophobicContact CZ-CD2 4.15Å; F292-M349 HydrophobicContact CD2-CE 3.98Å; F292-M349 HydrophobicContact CD2-CG 3.99Å; F292-M349 HydrophobicContact CD2-SD 4.45Å; F292-M349 HydrophobicContact CE1-CE 4.46Å; F292-M349 HydrophobicContact CE2-CE 3.63Å; F292-M349 HydrophobicContact CE2-CG 4.29Å; F292-M349 HydrophobicContact CZ-CE 3.9Å; F292-Y353 HydrophobicContact CB-CD2 4.49Å; F292-Y353 HydrophobicContact CB-CE2 3.99Å; F292-Y355 HydrophobicContact CB-CD2 4.39Å; F292-Y355 HydrophobicContact CB-CE2 4.44Å
293	D	98.4	Very high	98	Very high	10 Å²	10	23 Å²	23	5%	0.053	13%	0.133	C	C	.	.			trans	-113.5	154.3	178.6	-58.2	-36.6	0	0	0	113.3	H299 H300 M349 V350 P605	D293-H299 WeakPolarHBondContact OD1-CA 3.45Å; D293-H299 IonicContact OD1-ND1 3.67Å; D293-H299 IonicContact OD2-CE1 2.62Å; D293-H299 IonicContact OD2-CG 2.83Å; D293-H299 IonicContact OD2-ND1 3.73Å; D293-H299 PolarHBondContact OD2-ND1 3.03Å; D293-H300 IonicContact OD1-CG 3.31Å; D293-H300 PolarHBondContact OD1-N 3.48Å; D293-H300 IonicContact OD1-ND1 2.74Å; D293-H300 PolarHBondContact OD1-ND1 2.81Å; D293-M349 WeakPolarHBondContact O-CA 3.38Å; D293-V350 HydrophobicContact CB-CG1 3.98Å; D293-V350 HydrophobicContact CB-CG2 3.75Å; D293-V350 PolarHBondContact O-N 3.06Å; D293-P605 HydrophobicContact CB-CG 3.95Å
294	L	98.1	Very high	98	Very high	24 Å²	24	24 Å²	24	13%	0.126	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-113.5	144.5	174.9	-60.1	176.8	0	0	0	109.9	F292 G296 G297 F339 E347 M349 P605	F292-L294 HydrophobicContact CD2-CD2 4.28Å; F292-L294 HydrophobicContact CE2-CD2 3.93Å; F292-L294 HydrophobicContact CE2-CG 4.25Å; L294-G296 PolarHBondContact O-N 3.41Å; L294-G297 PolarHBondContact O-N 2.97Å; L294-F339 HydrophobicContact CD1-CB 4.33Å; L294-F339 HydrophobicContact CD1-CD1 4.43Å; L294-F339 HydrophobicContact CD2-CB 3.95Å; L294-E347 HydrophobicContact CD1-CB 4.12Å; L294-E347 HydrophobicContact CD2-CB 4.49Å; L294-M349 HydrophobicContact CD2-CB 4.42Å; L294-M349 HydrophobicContact CD2-CG 3.63Å; L294-P605 WeakPolarHBondContact O-CD 3.45Å
295	W	98.2	Very high	97.9	Very high	15 Å²	15	29.4 Å²	29.4	6%	0.057	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	131.4	173.8	-69.9	106.9	0	0	0	111	G297 P348 M349 V350 R599 W601 I603 G604 Q606	W295-G297 VanDerWaalsContact C-N 3.32Å; W295-P348 HydrophobicContact CB-CG 4.41Å; W295-P348 PolarHBondContact N-O 2.78Å; W295-M349 PolarHBondContact NE1-O 3.05Å; W295-M349 VanDerWaalsContact NE1-O 3.16Å; W295-V350 HydrophobicContact CD2-CB 4.41Å; W295-V350 HydrophobicContact CD2-CG1 3.85Å; W295-V350 HydrophobicContact CE3-CG1 4.14Å; W295-V350 HydrophobicContact CG-CG1 4.13Å; W295-V350 HydrophobicContact CH2-CB 4.49Å; W295-V350 HydrophobicContact CZ2-CB 4.09Å; W295-V350 HydrophobicContact CZ2-CG1 4.39Å; W295-R599 WeakPolarHBondContact CZ2-O 3.29Å; W295-W601 HydrophobicContact CB-CE3 3.65Å; W295-W601 HydrophobicContact CB-CZ3 3.92Å; W295-W601 HydrophobicContact CD2-CB 3.97Å; W295-W601 HydrophobicContact CD2-CE3 4.19Å; W295-W601 HydrophobicContact CE3-CB 3.58Å; W295-W601 AromaticContact CG-CE3 3.75Å; W295-W601 HydrophobicContact CG-CE3 3.75Å; W295-W601 HydrophobicContact CG-CZ3 4.35Å; W295-W601 HydrophobicContact CH2-CB 4.31Å; W295-W601 HydrophobicContact CZ3-CB 3.78Å; W295-W601 WeakPolarHBondContact CZ3-O 3.43Å; W295-I603 HydrophobicContact CB-CD1 4.13Å; W295-I603 HydrophobicContact CB-CG1 4.45Å; W295-G604 CarbonylContact C-O 3.54Å; W295-G604 VanDerWaalsContact CA-O 3.32Å; W295-G604 WeakPolarHBondContact CA-O 3.48Å; W295-Q606 HydrophobicContact CH2-CB 4Å; W295-Q606 HydrophobicContact CH2-CG 4.34Å; W295-Q606 HydrophobicContact CZ3-CB 4.07Å; W295-Q606 WeakPolarHBondContact CZ3-O 3.36Å
296	G	96.4	Very high	97.9	Very high	52 Å²	52	33.7 Å²	33.7	54%	0.536	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-5.3	-174.7	0	0	0	0	0	114.7	L294 G604	L294-G296 PolarHBondContact O-N 3.41Å; G296-G604 PolarHBondContact N-O 2.83Å
297	G	96.6	Very high	97.8	Very high	32 Å²	32	33.3 Å²	33.3	33%	0.33	19%	0.187	S	C	.	.	S	Bend	trans	-88.5	-163.7	176	0	0	0	0	0	114.2	L294 W295 P605	L294-G297 PolarHBondContact O-N 2.97Å; W295-G297 VanDerWaalsContact C-N 3.32Å; G297-P605 WeakPolarHBondContact O-CB 3.3Å
298	L	97.7	Very high	97.8	Very high	78 Å²	78	33.4 Å²	33.4	41%	0.408	19%	0.188	S	C	.	.			trans	-107	158.3	170.7	-62.9	176.9	0	0	0	109.7	H300 M645 V647	L298-H300 PolarHBondContact O-N 3.05Å; L298-H300 PolarHBondContact O-ND1 3.06Å; L298-M645 HydrophobicContact CD2-CB 3.86Å; L298-V647 HydrophobicContact CB-CB 3.89Å; L298-V647 HydrophobicContact CB-CG1 3.63Å; L298-V647 HydrophobicContact CD1-CB 3.85Å; L298-V647 HydrophobicContact CD1-CG1 4.39Å; L298-V647 HydrophobicContact CD1-CG2 4.34Å
299	H	98.3	Very high	97.8	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.2	175.8	179.1	49	0	0	0	110.7	D293 P605 Y643 M645 T646 V647	D293-H299 WeakPolarHBondContact OD1-CA 3.45Å; D293-H299 IonicContact OD1-ND1 3.67Å; D293-H299 IonicContact OD2-CE1 2.62Å; D293-H299 IonicContact OD2-CG 2.83Å; D293-H299 IonicContact OD2-ND1 3.73Å; D293-H299 PolarHBondContact OD2-ND1 3.03Å; H299-P605 HydrophobicContact CB-CB 4.44Å; H299-Y643 WeakPolarHBondContact CB-O 3.34Å; H299-Y643 AromaticContact CE1-CD2 3.93Å; H299-Y643 AromaticContact NE2-CD2 3.59Å; H299-M645 PolarHBondContact N-O 3.43Å; H299-T646 HydrophobicContact CB-CG2 4.48Å; H299-T646 CarbonylContact O-C 3.59Å; H299-T646 WeakPolarHBondContact O-CA 3.45Å; H299-V647 PolarHBondContact O-N 2.75Å
300	H	98.3	Very high	97.8	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.218	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.7	-177.3	-65.3	84.4	0	0	0	111.9	W291 F292 D293 L298 V647 V649	W291-H300 HydrophobicContact CB-CB 3.73Å; F292-H300 PolarHBondContact O-ND1 3.34Å; F292-H300 VanDerWaalsContact O-ND1 3.08Å; D293-H300 IonicContact OD1-CG 3.31Å; D293-H300 PolarHBondContact OD1-N 3.48Å; D293-H300 IonicContact OD1-ND1 2.74Å; D293-H300 PolarHBondContact OD1-ND1 2.81Å; L298-H300 PolarHBondContact O-N 3.05Å; L298-H300 PolarHBondContact O-ND1 3.06Å; H300-V647 CarbonylContact C-O 3.54Å; H300-V647 WeakPolarHBondContact CA-O 3.42Å; H300-V649 HydrophobicContact CB-CG1 4.05Å
301	V	97.9	Very high	97.9	Very high	25 Å²	25	35.2 Å²	35.2	15%	0.152	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.1	174.7	-61.8	0	0	0	0	110.7	D356 T646 V647 D648 V649	V301-D356 WeakPolarHBondContact CA-OD2 3.43Å; V301-D356 WeakPolarHBondContact CB-OD2 3.33Å; V301-D356 HydrophobicContact CG1-CB 4.47Å; V301-T646 HydrophobicContact CG1-CG2 3.96Å; V301-V647 WeakPolarHBondContact CG2-O 3.24Å; V301-V647 PolarHBondContact N-O 2.9Å; V301-D648 CarbonylContact O-C 3.51Å; V301-D648 VanDerWaalsContact O-CA 3.29Å; V301-D648 WeakPolarHBondContact O-CA 3.29Å; V301-V649 PolarHBondContact O-N 3.43Å
302	F	97.7	Very high	97.9	Very high	8 Å²	8	36 Å²	36	4%	0.035	21%	0.211	C	C	.	.			trans	-115.7	108.5	170.8	-174.5	-170.9	0	0	0	108.2	Q263 F287 A304 D306 M307 D356 K368 V649	Q263-F302 HydrophobicContact CG-CD1 3.97Å; Q263-F302 HydrophobicContact CG-CE1 3.61Å; Q263-F302 HydrophobicContact CG-CZ 4.17Å; F287-F302 HydrophobicContact CZ-CE1 4.06Å; F302-A304 PolarHBondContact O-N 3.1Å; F302-D306 HydrophobicContact CD2-CB 4.28Å; F302-D306 HydrophobicContact CE2-CB 3.62Å; F302-D306 HydrophobicContact CZ-CB 4.45Å; F302-M307 HydrophobicContact CD1-CB 3.94Å; F302-M307 HydrophobicContact CD1-CG 4.09Å; F302-M307 HydrophobicContact CE1-CB 3.83Å; F302-M307 HydrophobicContact CE1-CG 3.98Å; F302-M307 HydrophobicContact CE2-CB 4.44Å; F302-M307 HydrophobicContact CG-CB 4.29Å; F302-M307 HydrophobicContact CZ-CB 4.09Å; F302-D356 PolarHBondContact N-OD2 2.79Å; F302-K368 WeakPolarHBondContact O-CE 3.5Å; F302-K368 PolarHBondContact O-NZ 3.22Å; F302-V649 HydrophobicContact CB-CG1 4.39Å; F302-V649 HydrophobicContact CB-CG2 3.57Å; F302-V649 HydrophobicContact CD1-CG2 4.35Å; F302-V649 HydrophobicContact CD2-CG2 3.74Å; F302-V649 HydrophobicContact CG-CG2 3.65Å
303	P	97.6	Very high	97.9	Very high	44 Å²	44	39.5 Å²	39.5	29%	0.286	23%	0.228	S	C	.	.			trans	-48.5	132.5	-176.4	-32.1	35.9	0	0	0	113.5	E305 D306 M307	P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.16Å; P303-D306 HydrophobicContact CB-CB 4.35Å; P303-D306 PolarHBondContact O-N 2.96Å; P303-D306 VanDerWaalsContact O-N 3.12Å; P303-M307 PolarHBondContact O-N 3.06Å
304	A	98	Very high	97.9	Very high	20 Å²	20	39 Å²	39	17%	0.165	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-37.3	-169.3	0	0	0	0	0	113	F302 I308 T367 K368 L371	F302-A304 PolarHBondContact O-N 3.1Å; A304-I308 WeakPolarHBondContact O-CB 3.12Å; A304-I308 WeakPolarHBondContact O-CG1 3.13Å; A304-I308 PolarHBondContact O-N 2.76Å; A304-T367 HydrophobicContact CB-CG2 4Å; A304-K368 HydrophobicContact CB-CG 3.63Å; A304-L371 HydrophobicContact CB-CD1 3.91Å
305	E	97.3	Very high	97.8	Very high	115 Å²	115	38 Å²	38	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-69.6	-37.8	178.6	-62.9	-58.5	160.9	0	0	112.4	P303 I308 S309 L371	P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.16Å; E305-I308 PolarHBondContact O-N 2.82Å; E305-S309 WeakPolarHBondContact O-CB 3.41Å; E305-S309 PolarHBondContact O-N 2.98Å; E305-L371 WeakPolarHBondContact OE1-CD1 3.45Å
306	D	97.4	Very high	97.8	Very high	90 Å²	90	44.8 Å²	44.8	48%	0.481	25%	0.25	S	C	.	.	H	α-helix	trans	-67.2	-45.7	177.7	-64.1	-20.3	0	0	0	110.4	F302 P303 I308 S309 V310	F302-D306 HydrophobicContact CD2-CB 4.28Å; F302-D306 HydrophobicContact CE2-CB 3.62Å; F302-D306 HydrophobicContact CZ-CB 4.45Å; P303-D306 HydrophobicContact CB-CB 4.35Å; P303-D306 PolarHBondContact O-N 2.96Å; P303-D306 VanDerWaalsContact O-N 3.12Å; D306-I308 VanDerWaalsContact C-N 3.32Å; D306-I308 PolarHBondContact O-N 3.12Å; D306-S309 WeakPolarHBondContact O-CB 3.43Å; D306-S309 PolarHBondContact O-N 3.05Å; D306-V310 PolarHBondContact O-N 3.27Å; D306-V310 VanDerWaalsContact O-N 3.15Å
307	M	98	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-48.8	173.2	-174.3	-152.9	67.9	0	0	110.9	F287 F302 P303 S309 V310 V311 M323 K368 L372	F287-M307 HydrophobicContact CE1-CG 3.48Å; F287-M307 VanDerWaalsContact CE1-CG 3.48Å; F287-M307 HydrophobicContact CE1-SD 4.24Å; F287-M307 HydrophobicContact CZ-CG 3.7Å; F302-M307 HydrophobicContact CD1-CB 3.94Å; F302-M307 HydrophobicContact CD1-CG 4.09Å; F302-M307 HydrophobicContact CE1-CB 3.83Å; F302-M307 HydrophobicContact CE1-CG 3.98Å; F302-M307 HydrophobicContact CE2-CB 4.44Å; F302-M307 HydrophobicContact CG-CB 4.29Å; F302-M307 HydrophobicContact CZ-CB 4.09Å; P303-M307 PolarHBondContact O-N 3.06Å; M307-S309 VanDerWaalsContact C-N 3.3Å; M307-S309 PolarHBondContact O-N 2.81Å; M307-V310 PolarHBondContact O-N 3.45Å; M307-V311 WeakPolarHBondContact O-CG2 3.3Å; M307-V311 PolarHBondContact O-N 2.71Å; M307-M323 HydrophobicContact CE-CE 4.36Å; M307-M323 HydrophobicContact SD-CE 3.91Å; M307-K368 HydrophobicContact CE-CB 3.93Å; M307-K368 HydrophobicContact CE-CD 4.36Å; M307-K368 HydrophobicContact CE-CG 3.98Å; M307-K368 HydrophobicContact SD-CB 4.35Å; M307-K368 HydrophobicContact SD-CD 3.79Å; M307-K368 HydrophobicContact SD-CG 4.08Å; M307-L372 HydrophobicContact CE-CD1 3.89Å; M307-L372 HydrophobicContact CE-CD2 3.93Å; M307-L372 HydrophobicContact CE-CG 3.77Å
308	I	98.3	Very high	97.7	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-65.4	-33.9	-179.5	-70.6	-72.3	0	0	0	112.1	A304 E305 D306 V311 K312 L371 L372	A304-I308 WeakPolarHBondContact O-CB 3.12Å; A304-I308 WeakPolarHBondContact O-CG1 3.13Å; A304-I308 PolarHBondContact O-N 2.76Å; E305-I308 PolarHBondContact O-N 2.82Å; D306-I308 VanDerWaalsContact C-N 3.32Å; D306-I308 PolarHBondContact O-N 3.12Å; I308-V311 PolarHBondContact O-N 3.41Å; I308-K312 HydrophobicContact CG2-CD 4.04Å; I308-K312 HydrophobicContact CG2-CG 4.41Å; I308-K312 WeakPolarHBondContact O-CB 3.39Å; I308-K312 VanDerWaalsContact O-CG 3.29Å; I308-K312 WeakPolarHBondContact O-CG 3.25Å; I308-K312 PolarHBondContact O-N 3.3Å; I308-L371 HydrophobicContact CD1-CB 3.59Å; I308-L371 HydrophobicContact CG1-CB 3.59Å; I308-L371 HydrophobicContact CG1-CD1 3.97Å; I308-L371 HydrophobicContact CG1-CG 4.43Å; I308-L372 HydrophobicContact CD1-CB 4.42Å; I308-L372 HydrophobicContact CD1-CD2 3.67Å; I308-L372 HydrophobicContact CD1-CG 3.77Å
309	S	98.2	Very high	97.7	Very high	59 Å²	59	45 Å²	45	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-49.8	174.3	-167	0	0	0	0	111	E305 D306 M307 V311 K312 E313	E305-S309 WeakPolarHBondContact O-CB 3.41Å; E305-S309 PolarHBondContact O-N 2.98Å; D306-S309 WeakPolarHBondContact O-CB 3.43Å; D306-S309 PolarHBondContact O-N 3.05Å; M307-S309 VanDerWaalsContact C-N 3.3Å; M307-S309 PolarHBondContact O-N 2.81Å; S309-V311 PolarHBondContact O-N 3.13Å; S309-K312 WeakPolarHBondContact O-CB 3.34Å; S309-K312 PolarHBondContact O-N 2.83Å; S309-E313 WeakPolarHBondContact O-CG 3.46Å; S309-E313 PolarHBondContact O-N 3.42Å; S309-E313 VanDerWaalsContact O-N 3.09Å
310	V	98.1	Very high	97.7	Very high	18 Å²	18	44.7 Å²	44.7	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-44.9	178	-176.6	0	0	0	0	111.2	F262 L265 F287 D306 M307 K312 E313 V314	F262-V310 HydrophobicContact CE2-CG1 4.28Å; L265-V310 HydrophobicContact CB-CG1 4.11Å; F287-V310 HydrophobicContact CD2-CG1 4.42Å; F287-V310 HydrophobicContact CE2-CB 3.97Å; F287-V310 HydrophobicContact CE2-CG1 3.57Å; F287-V310 HydrophobicContact CZ-CB 4.18Å; F287-V310 HydrophobicContact CZ-CG1 4.28Å; D306-V310 PolarHBondContact O-N 3.27Å; D306-V310 VanDerWaalsContact O-N 3.15Å; M307-V310 PolarHBondContact O-N 3.45Å; V310-K312 VanDerWaalsContact C-N 3.31Å; V310-K312 PolarHBondContact O-N 3.41Å; V310-E313 PolarHBondContact O-N 3.04Å; V310-E313 VanDerWaalsContact O-N 3.1Å; V310-V314 HydrophobicContact CG1-CG2 4.39Å; V310-V314 WeakPolarHBondContact O-CG2 3.46Å; V310-V314 PolarHBondContact O-N 2.99Å
311	V	98.6	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-42.4	177.3	177.2	0	0	0	0	111.1	F287 M307 I308 S309 E313 V314 L315 I321 M323 L372 L375 F376	F287-V311 HydrophobicContact CD1-CG2 4.11Å; F287-V311 HydrophobicContact CE1-CG2 3.56Å; F287-V311 HydrophobicContact CZ-CG2 3.84Å; M307-V311 WeakPolarHBondContact O-CG2 3.3Å; M307-V311 PolarHBondContact O-N 2.71Å; I308-V311 PolarHBondContact O-N 3.41Å; S309-V311 PolarHBondContact O-N 3.13Å; V311-E313 VanDerWaalsContact C-N 3.33Å; V311-E313 PolarHBondContact O-N 3.33Å; V311-V314 PolarHBondContact O-N 3.43Å; V311-L315 HydrophobicContact CG1-CD1 3.96Å; V311-L315 HydrophobicContact CG1-CG 4.37Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 2.86Å; V311-I321 HydrophobicContact CB-CD1 4.4Å; V311-I321 HydrophobicContact CG1-CD1 4.14Å; V311-I321 HydrophobicContact CG2-CD1 3.96Å; V311-M323 HydrophobicContact CG2-CE 4.18Å; V311-M323 HydrophobicContact CG2-SD 4.26Å; V311-L372 HydrophobicContact CG1-CD2 4.29Å; V311-L372 HydrophobicContact CG2-CD2 4.32Å; V311-L375 HydrophobicContact CB-CD2 4.23Å; V311-L375 HydrophobicContact CG1-CD2 3.64Å; V311-F376 HydrophobicContact CG1-CE1 4.14Å; V311-F376 HydrophobicContact CG1-CZ 4.47Å
312	K	98.4	Very high	97.8	Very high	91 Å²	91	41.2 Å²	41.2	40%	0.396	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-41.4	175.8	-76.7	168.4	179.6	166.8	0	111.8	I308 S309 V310 L315 K316 L375	I308-K312 HydrophobicContact CG2-CD 4.04Å; I308-K312 HydrophobicContact CG2-CG 4.41Å; I308-K312 WeakPolarHBondContact O-CB 3.39Å; I308-K312 VanDerWaalsContact O-CG 3.29Å; I308-K312 WeakPolarHBondContact O-CG 3.25Å; I308-K312 PolarHBondContact O-N 3.3Å; S309-K312 WeakPolarHBondContact O-CB 3.34Å; S309-K312 PolarHBondContact O-N 2.83Å; V310-K312 VanDerWaalsContact C-N 3.31Å; V310-K312 PolarHBondContact O-N 3.41Å; K312-L315 PolarHBondContact O-N 3.47Å; K312-K316 WeakPolarHBondContact O-CB 3.33Å; K312-K316 VanDerWaalsContact O-CG 3.25Å; K312-K316 WeakPolarHBondContact O-CG 3.25Å; K312-K316 PolarHBondContact O-N 3.27Å; K312-L375 HydrophobicContact CG-CD1 3.78Å; K312-L375 HydrophobicContact CG-CD2 3.83Å; K312-L375 HydrophobicContact CG-CG 4.48Å
313	E	98.1	Very high	97.8	Very high	88 Å²	88	40.9 Å²	40.9	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-46.2	178.2	-69.2	-178.3	165.1	0	0	112.1	L265 S309 V310 V311 L315 K316 L317	L265-E313 HydrophobicContact CD2-CB 3.75Å; S309-E313 WeakPolarHBondContact O-CG 3.46Å; S309-E313 PolarHBondContact O-N 3.42Å; S309-E313 VanDerWaalsContact O-N 3.09Å; V310-E313 PolarHBondContact O-N 3.04Å; V310-E313 VanDerWaalsContact O-N 3.1Å; V311-E313 VanDerWaalsContact C-N 3.33Å; V311-E313 PolarHBondContact O-N 3.33Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 3.24Å; E313-K316 WeakPolarHBondContact O-CB 3.22Å; E313-K316 PolarHBondContact O-N 3.04Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 2.97Å; E313-L317 VanDerWaalsContact O-N 3.1Å
314	V	98	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.2	-46	175.1	172.9	0	0	0	0	111	F262 L265 V284 V310 V311 L317 M319 I321	F262-V314 HydrophobicContact CE2-CG2 4.03Å; F262-V314 HydrophobicContact CZ-CG2 3.85Å; L265-V314 HydrophobicContact CD1-CG2 4.47Å; V284-V314 HydrophobicContact CG2-CG1 3.77Å; V284-V314 HydrophobicContact CG2-CG2 4.26Å; V310-V314 HydrophobicContact CG1-CG2 4.39Å; V310-V314 WeakPolarHBondContact O-CG2 3.46Å; V310-V314 PolarHBondContact O-N 2.99Å; V311-V314 PolarHBondContact O-N 3.43Å; V314-L317 PolarHBondContact O-N 3.43Å; V314-M319 HydrophobicContact CG1-CB 3.74Å; V314-M319 HydrophobicContact CG1-SD 4.37Å; V314-M319 WeakPolarHBondContact O-CB 3.41Å; V314-M319 PolarHBondContact O-N 3.34Å; V314-I321 HydrophobicContact CB-CD1 4.45Å; V314-I321 HydrophobicContact CG1-CB 4.16Å; V314-I321 HydrophobicContact CG1-CD1 4.18Å; V314-I321 HydrophobicContact CG1-CG1 4.48Å
315	L	97.4	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-32.9	-180	-64.3	173.2	0	0	0	113.4	R73 L75 V311 K312 E313 L317 N318 I321 L375 F376 Y379	R73-L315 PolarHBondContact NH1-O 3.03Å; L75-L315 HydrophobicContact CD2-CD2 3.79Å; V311-L315 HydrophobicContact CG1-CD1 3.96Å; V311-L315 HydrophobicContact CG1-CG 4.37Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.47Å; V311-L315 PolarHBondContact O-N 2.86Å; K312-L315 PolarHBondContact O-N 3.47Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 3.24Å; L315-L317 VanDerWaalsContact C-N 3.26Å; L315-L317 PolarHBondContact O-N 3.33Å; L315-N318 PolarHBondContact O-N 2.99Å; L315-I321 HydrophobicContact CD2-CG2 4.12Å; L315-L375 HydrophobicContact CD1-CD2 3.99Å; L315-L375 HydrophobicContact CD1-CG 4.16Å; L315-F376 HydrophobicContact CD1-CD1 4.35Å; L315-F376 HydrophobicContact CD1-CE1 4.06Å; L315-Y379 HydrophobicContact CB-CE1 4.34Å; L315-Y379 WeakPolarHBondContact CB-OH 3.47Å; L315-Y379 HydrophobicContact CD1-CD2 4.31Å; L315-Y379 HydrophobicContact CD1-CE2 3.63Å
316	K	97.1	Very high	98	Very high	159 Å²	159	32.5 Å²	32.5	69%	0.691	16%	0.164	S	C	*	.	H	α-helix	trans	-64.3	-31.1	172.6	-77.8	171.1	-176.7	175.3	0	112.1	K312 E313 N318	K312-K316 WeakPolarHBondContact O-CB 3.33Å; K312-K316 VanDerWaalsContact O-CG 3.25Å; K312-K316 WeakPolarHBondContact O-CG 3.25Å; K312-K316 PolarHBondContact O-N 3.27Å; E313-K316 WeakPolarHBondContact O-CB 3.22Å; E313-K316 PolarHBondContact O-N 3.04Å; K316-N318 PolarHBondContact O-N 2.89Å
317	L	96.2	Very high	98.1	Very high	72 Å²	72	28.3 Å²	28.3	38%	0.377	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	7.4	172.6	-65	176.3	0	0	0	113.3	L265 I267 E313 V314 L315 M319	L265-L317 HydrophobicContact CD1-CD1 4.31Å; L265-L317 HydrophobicContact CD2-CD1 3.9Å; I267-L317 HydrophobicContact CD1-CD1 4.04Å; I267-L317 HydrophobicContact CD1-CD2 4.49Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 2.97Å; E313-L317 VanDerWaalsContact O-N 3.1Å; V314-L317 PolarHBondContact O-N 3.43Å; L315-L317 VanDerWaalsContact C-N 3.26Å; L315-L317 PolarHBondContact O-N 3.33Å; L317-M319 HydrophobicContact CB-CG 3.88Å; L317-M319 HydrophobicContact CB-SD 3.88Å; L317-M319 HydrophobicContact CD1-SD 3.99Å; L317-M319 PolarHBondContact O-N 2.85Å
318	N	94.9	Very high	98.1	Very high	94 Å²	94	28.3 Å²	28.3	50%	0.503	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	24.8	-176.1	-68.1	-44.1	0	0	0	114.3	R73 L315 K316	R73-N318 PolarHBondContact NH2-OD1 2.91Å; L315-N318 PolarHBondContact O-N 2.99Å; K316-N318 PolarHBondContact O-N 2.89Å
319	M	97.6	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.			trans	-82.1	150.8	176.9	-58	172.6	62.1	0	0	110.5	I260 V270 K282 V284 V314 L317	I260-M319 HydrophobicContact CD1-CE 3.83Å; I260-M319 HydrophobicContact CG1-CE 4.44Å; V270-M319 HydrophobicContact CG1-SD 4.22Å; V270-M319 HydrophobicContact CG2-CE 4.12Å; V270-M319 HydrophobicContact CG2-SD 4.07Å; K282-M319 HydrophobicContact CB-CB 4.34Å; K282-M319 HydrophobicContact CB-CE 4.16Å; K282-M319 HydrophobicContact CB-CG 3.73Å; K282-M319 HydrophobicContact CD-CG 4.49Å; K282-M319 WeakPolarHBondContact O-CA 3.15Å; V284-M319 HydrophobicContact CG2-CE 3.64Å; V314-M319 HydrophobicContact CG1-CB 3.74Å; V314-M319 HydrophobicContact CG1-SD 4.37Å; V314-M319 WeakPolarHBondContact O-CB 3.41Å; V314-M319 PolarHBondContact O-N 3.34Å; L317-M319 HydrophobicContact CB-CG 3.88Å; L317-M319 HydrophobicContact CB-SD 3.88Å; L317-M319 HydrophobicContact CD1-SD 3.99Å; L317-M319 PolarHBondContact O-N 2.85Å
320	S	98.6	Very high	98.1	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	157.8	161.9	-67.4	0	0	0	0	110.4	F65 I74 K282 M283 V284	F65-S320 WeakPolarHBondContact CD2-OG 3.27Å; I74-S320 PolarHBondContact N-OG 3.23Å; I74-S320 VanDerWaalsContact N-OG 3.09Å; I74-S320 WeakPolarHBondContact O-CA 3.34Å; I74-S320 WeakPolarHBondContact O-CB 3.46Å; K282-S320 PolarHBondContact O-N 2.74Å; M283-S320 WeakPolarHBondContact CA-O 3.38Å; V284-S320 PolarHBondContact N-O 2.81Å
321	I	98.8	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.2	-176.2	-171.9	169.9	0	0	0	110	I74 L75 G76 V284 F287 V311 V314 L315 M323	I74-I321 PolarHBondContact O-N 3.11Å; I74-I321 VanDerWaalsContact O-N 3.11Å; L75-I321 HydrophobicContact CD2-CG2 4.21Å; G76-I321 WeakPolarHBondContact CA-O 3.27Å; G76-I321 PolarHBondContact N-O 2.56Å; V284-I321 HydrophobicContact CB-CG1 4.28Å; V284-I321 CarbonylContact O-C 3.37Å; V284-I321 WeakPolarHBondContact O-CA 3.37Å; F287-I321 HydrophobicContact CB-CD1 3.84Å; F287-I321 HydrophobicContact CB-CG1 3.79Å; F287-I321 HydrophobicContact CD1-CD1 4.1Å; F287-I321 HydrophobicContact CD2-CD1 4.32Å; F287-I321 HydrophobicContact CG-CD1 3.8Å; F287-I321 HydrophobicContact CG-CG1 4.32Å; V311-I321 HydrophobicContact CB-CD1 4.4Å; V311-I321 HydrophobicContact CG1-CD1 4.14Å; V311-I321 HydrophobicContact CG2-CD1 3.96Å; V314-I321 HydrophobicContact CB-CD1 4.45Å; V314-I321 HydrophobicContact CG1-CB 4.16Å; V314-I321 HydrophobicContact CG1-CD1 4.18Å; V314-I321 HydrophobicContact CG1-CG1 4.48Å; L315-I321 HydrophobicContact CD2-CG2 4.12Å; I321-M323 HydrophobicContact CD1-SD 4.1Å; I321-M323 HydrophobicContact CG1-SD 4.35Å
322	N	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.7	169.5	173.5	66.7	0	0	0	110	G76 G77 S78 T105 M283 V284 M285 F287 Y324	G76-N322 WeakPolarHBondContact CA-OD1 3.15Å; G76-N322 WeakPolarHBondContact O-CA 3.4Å; G77-N322 WeakPolarHBondContact CA-OD1 3.49Å; G77-N322 PolarHBondContact N-OD1 3.27Å; S78-N322 PolarHBondContact OG-ND2 3.42Å; T105-N322 WeakPolarHBondContact CB-OD1 3.1Å; T105-N322 VanDerWaalsContact OG1-CG 3.23Å; T105-N322 PolarHBondContact OG1-OD1 3.12Å; M283-N322 HydrophobicContact CE-CB 3.76Å; V284-N322 PolarHBondContact O-N 2.98Å; M285-N322 VanDerWaalsContact O-CB 3.28Å; M285-N322 WeakPolarHBondContact O-CB 3.37Å; M285-N322 PolarHBondContact O-ND2 3.31Å; M285-N322 HydrophobicContact SD-CB 4.42Å; F287-N322 PolarHBondContact N-O 2.97Å; N322-Y324 PolarHBondContact O-N 3.25Å
323	M	98.8	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	115.8	-179.6	-51.9	-60	-65.2	0	0	109.5	G76 S78 F287 M307 V311 I321 M325 F326 L372	G76-M323 WeakPolarHBondContact O-CG 3.33Å; G76-M323 PolarHBondContact O-N 2.81Å; S78-M323 WeakPolarHBondContact CB-O 3.47Å; S78-M323 PolarHBondContact N-O 2.7Å; S78-M323 PolarHBondContact OG-O 3.31Å; F287-M323 HydrophobicContact CD1-CE 3.46Å; F287-M323 VanDerWaalsContact CD1-CE 3.46Å; F287-M323 HydrophobicContact CD1-SD 3.69Å; F287-M323 HydrophobicContact CE1-CE 3.6Å; F287-M323 HydrophobicContact CE1-SD 4.3Å; M307-M323 HydrophobicContact CE-CE 4.36Å; M307-M323 HydrophobicContact SD-CE 3.91Å; V311-M323 HydrophobicContact CG2-CE 4.18Å; V311-M323 HydrophobicContact CG2-SD 4.26Å; I321-M323 HydrophobicContact CD1-SD 4.1Å; I321-M323 HydrophobicContact CG1-SD 4.35Å; M323-M325 CarbonylContact O-C 3.59Å; M323-F326 HydrophobicContact CB-CB 4.27Å; M323-F326 PolarHBondContact O-N 2.8Å; M323-L372 HydrophobicContact CE-CD1 3.83Å; M323-L372 HydrophobicContact CE-CD2 3.96Å; M323-L372 HydrophobicContact SD-CD2 4.35Å
324	Y	98.7	Very high	98.2	Very high	3 Å²	3	18 Å²	18	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.2	173.9	-170.2	-82.7	0	0	0	108.7	H80 Y107 A152 E286 F287 W288 S289 N322 Y353 Y355	H80-Y324 AromaticContact NE2-CE2 3.74Å; Y107-Y324 AromaticContact CE2-CE2 3.81Å; Y107-Y324 HydrophobicContact CE2-CE2 3.81Å; A152-Y324 WeakPolarHBondContact CA-OH 3.28Å; E286-Y324 HydrophobicContact CB-CG 4.28Å; E286-Y324 HydrophobicContact CG-CD2 4.16Å; E286-Y324 HydrophobicContact CG-CG 4.2Å; F287-Y324 CarbonylContact O-C 3.58Å; F287-Y324 PolarHBondContact O-N 3.32Å; F287-Y324 VanDerWaalsContact O-O 3.04Å; W288-Y324 CarbonylContact C-O 3.57Å; W288-Y324 WeakPolarHBondContact CA-O 3.36Å; W288-Y324 AromaticContact CD1-CD1 3.76Å; S289-Y324 PolarHBondContact N-O 2.79Å; S289-Y324 PolarHBondContact OG-O 3.19Å; N322-Y324 PolarHBondContact O-N 3.25Å; Y324-Y353 PolarHBondContact OH-OH 3.49Å; Y324-Y353 VanDerWaalsContact OH-OH 3.13Å; Y324-Y355 HydrophobicContact CD1-CE1 4.4Å; Y324-Y355 HydrophobicContact CD1-CE2 4.47Å; Y324-Y355 AromaticContact CD1-CZ 3.92Å; Y324-Y355 HydrophobicContact CE1-CE2 4.18Å; Y324-Y355 WeakPolarHBondContact O-CE1 3.42Å
325	M	98.8	Very high	98.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-94.3	145.5	-4.4	-65.2	-58.5	-70.2	0	0	111.7	S78 H80 S289 M323 H327 Y353 Y355 A357 P358	S78-M325 WeakPolarHBondContact O-CE 3.34Å; H80-M325 VanDerWaalsContact CD2-CE 3.42Å; H80-M325 WeakPolarHBondContact CD2-CE 3.49Å; H80-M325 VanDerWaalsContact NE2-CE 3.34Å; H80-M325 WeakPolarHBondContact NE2-CE 3.45Å; S289-M325 PolarHBondContact OG-N 2.87Å; S289-M325 PolarHBondContact OG-O 2.85Å; M323-M325 CarbonylContact O-C 3.59Å; M325-H327 WeakPolarHBondContact CE-O 3.36Å; M325-Y353 HydrophobicContact CE-CE1 4.42Å; M325-Y353 HydrophobicContact CG-CD1 4.42Å; M325-Y353 HydrophobicContact CG-CE1 3.65Å; M325-Y353 HydrophobicContact SD-CE1 4.19Å; M325-Y355 HydrophobicContact CB-CD1 3.98Å; M325-Y355 HydrophobicContact CB-CG 4.13Å; M325-Y355 HydrophobicContact CG-CD1 4.06Å; M325-Y355 HydrophobicContact CG-CD2 4.14Å; M325-Y355 HydrophobicContact CG-CE1 4.44Å; M325-Y355 HydrophobicContact CG-CE2 4.47Å; M325-Y355 HydrophobicContact CG-CG 3.93Å; M325-A357 HydrophobicContact CB-CB 4.22Å; M325-A357 WeakPolarHBondContact O-CB 3.37Å; M325-P358 WeakPolarHBondContact O-CD 3.44Å
326	F	98.9	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-39.7	163	179.6	-101.6	0	0	0	111	S78 V79 M96 C99 I101 M323 P358 L359 Y369	S78-F326 PolarHBondContact O-N 2.88Å; V79-F326 HydrophobicContact CG2-CB 4.34Å; V79-F326 HydrophobicContact CG2-CD1 4.04Å; M96-F326 HydrophobicContact CB-CD1 4Å; M96-F326 HydrophobicContact CB-CE1 3.57Å; M96-F326 HydrophobicContact CB-CZ 4.25Å; M96-F326 HydrophobicContact CE-CD1 3.91Å; M96-F326 HydrophobicContact CE-CG 4.44Å; M96-F326 HydrophobicContact CG-CD1 4.22Å; M96-F326 HydrophobicContact CG-CE1 4.13Å; C99-F326 HydrophobicContact CB-CE2 3.95Å; C99-F326 HydrophobicContact CB-CZ 3.79Å; I101-F326 HydrophobicContact CD1-CB 4.34Å; I101-F326 HydrophobicContact CD1-CD1 4.3Å; I101-F326 HydrophobicContact CD1-CD2 3.17Å; I101-F326 HydrophobicContact CD1-CE1 4.47Å; I101-F326 HydrophobicContact CD1-CE2 3.38Å; I101-F326 HydrophobicContact CD1-CG 3.66Å; I101-F326 HydrophobicContact CD1-CZ 4.04Å; M323-F326 HydrophobicContact CB-CB 4.27Å; M323-F326 PolarHBondContact O-N 2.8Å; F326-P358 HydrophobicContact CD2-CB 3.86Å; F326-P358 HydrophobicContact CD2-CG 3.99Å; F326-P358 HydrophobicContact CE2-CB 3.8Å; F326-P358 HydrophobicContact CE2-CG 4.37Å; F326-P358 WeakPolarHBondContact O-CD 3.35Å; F326-L359 HydrophobicContact CD1-CD1 4.26Å; F326-L359 HydrophobicContact CE1-CD1 3.56Å; F326-L359 HydrophobicContact CE1-CG 3.89Å; F326-L359 HydrophobicContact CZ-CD1 4.2Å; F326-L359 HydrophobicContact CZ-CG 4.14Å; F326-L359 PolarHBondContact O-N 3.32Å; F326-Y369 HydrophobicContact CE2-CD2 4.26Å; F326-Y369 AromaticContact CZ-CD2 3.86Å; F326-Y369 HydrophobicContact CZ-CD2 3.86Å; F326-Y369 AromaticContact CZ-CE2 3.86Å; F326-Y369 HydrophobicContact CZ-CE2 3.86Å
327	H	98.9	Very high	98.3	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	116.6	169.1	173.1	50.2	0	0	0	107.6	S78 V79 V84 M325 L359 S360 E361	S78-H327 PolarHBondContact O-N 3.31Å; V79-H327 HydrophobicContact CG1-CB 4.39Å; V79-H327 HydrophobicContact CG2-CB 3.85Å; V84-H327 WeakPolarHBondContact CG2-NE2 3.45Å; M325-H327 WeakPolarHBondContact CE-O 3.36Å; H327-L359 HydrophobicContact CB-CB 3.9Å; H327-L359 HydrophobicContact CB-CD1 4.21Å; H327-L359 PolarHBondContact ND1-O 3.04Å; H327-S360 PolarHBondContact CE1-O 3.36Å; H327-S360 PolarHBondContact ND1-O 3.25Å; H327-E361 PolarHBondContact CE1-O 3.17Å
328	G	98.8	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.			trans	-81.4	-50.4	-177.6	0	0	0	0	0	113	R83 Y353	R83-G328 WeakPolarHBondContact CB-O 3.21Å; R83-G328 WeakPolarHBondContact CD-O 3.42Å; G328-Y353 CarbonylContact C-O 3.55Å; G328-Y353 VanDerWaalsContact C-O 3.23Å; G328-Y353 WeakPolarHBondContact CA-O 3.12Å
329	G	98.6	Very high	98.5	Very high	1 Å²	1	6 Å²	6	1%	0.01	3%	0.03	C	C	.	.			trans	87.9	-138.7	178.8	0	0	0	0	0	112.5	Y353 E361	G329-Y353 PolarHBondContact N-O 2.69Å; G329-Y353 CarbonylContact O-C 3.08Å; G329-Y353 VanDerWaalsContact O-CA 3.22Å; G329-Y353 WeakPolarHBondContact O-CA 3.26Å; G329-Y353 WeakPolarHBondContact O-CB 3.14Å; G329-Y353 PolarHBondContact O-N 3.02Å; G329-E361 WeakPolarHBondContact O-CG 3.11Å
330	T	98.9	Very high	98.3	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	-132.6	138.4	-174.6	-48.9	0	0	0	0	111.6	R83 F332 T351 E361	R83-T330 WeakPolarHBondContact CA-O 3.38Å; R83-T330 PolarHBondContact O-N 3.37Å; R83-T330 VanDerWaalsContact O-N 3.14Å; T330-F332 VanDerWaalsContact C-N 3.25Å; T330-F332 HydrophobicContact CG2-CD1 3.75Å; T330-F332 HydrophobicContact CG2-CD2 4.48Å; T330-F332 HydrophobicContact CG2-CE1 3.7Å; T330-F332 HydrophobicContact CG2-CE2 4.43Å; T330-F332 HydrophobicContact CG2-CG 4.15Å; T330-F332 HydrophobicContact CG2-CZ 4.06Å; T330-F332 PolarHBondContact O-N 2.97Å; T330-T351 HydrophobicContact CG2-CG2 3.88Å; T330-T351 WeakPolarHBondContact CG2-O 3.47Å; T330-E361 WeakPolarHBondContact CB-OE1 3.14Å; T330-E361 VanDerWaalsContact CG2-OE1 3.29Å; T330-E361 WeakPolarHBondContact CG2-OE1 3.38Å; T330-E361 VanDerWaalsContact OG1-CG 3.3Å; T330-E361 WeakPolarHBondContact OG1-CG 3.21Å; T330-E361 PolarHBondContact OG1-OE1 2.94Å
331	N	98.8	Very high	97.9	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.057	C	C	.	.			trans	-79.3	70.8	166.6	-63.7	-41	0	0	0	110.1	R83 N336 V350 T351	R83-N331 PolarHBondContact NE-OD1 3.36Å; R83-N331 PolarHBondContact NH2-OD1 3.5Å; N331-N336 HydrophobicContact CB-CB 4.24Å; N331-V350 PolarHBondContact ND2-O 3.49Å; N331-T351 WeakPolarHBondContact CA-O 3.39Å; N331-T351 WeakPolarHBondContact CB-O 3.24Å; N331-T351 PolarHBondContact N-O 3.38Å
332	F	98.6	Very high	97.4	Very high	23 Å²	23	14 Å²	14	10%	0.101	10%	0.097	C	C	.	.			trans	-57.7	150.7	-178.6	-67	-67.5	0	0	0	112.5	P85 T330 F334 M335 Y610 P612 W615	P85-F332 HydrophobicContact CG-CE2 4.29Å; P85-F332 HydrophobicContact CG-CZ 4.38Å; T330-F332 VanDerWaalsContact C-N 3.25Å; T330-F332 HydrophobicContact CG2-CD1 3.75Å; T330-F332 HydrophobicContact CG2-CD2 4.48Å; T330-F332 HydrophobicContact CG2-CE1 3.7Å; T330-F332 HydrophobicContact CG2-CE2 4.43Å; T330-F332 HydrophobicContact CG2-CG 4.15Å; T330-F332 HydrophobicContact CG2-CZ 4.06Å; T330-F332 PolarHBondContact O-N 2.97Å; F332-F334 PolarHBondContact O-N 2.89Å; F332-M335 WeakPolarHBondContact O-CB 3.22Å; F332-M335 VanDerWaalsContact O-CG 3.23Å; F332-M335 WeakPolarHBondContact O-CG 3.45Å; F332-M335 PolarHBondContact O-N 3.47Å; F332-Y610 HydrophobicContact CE1-CD1 4.49Å; F332-Y610 HydrophobicContact CZ-CD1 4.14Å; F332-Y610 HydrophobicContact CZ-CE1 4.45Å; F332-P612 HydrophobicContact CE1-CG 4.12Å; F332-P612 HydrophobicContact CZ-CG 3.74Å; F332-W615 HydrophobicContact CB-CH2 4.16Å; F332-W615 AromaticContact CD1-CH2 3.43Å; F332-W615 HydrophobicContact CD1-CH2 3.43Å; F332-W615 VanDerWaalsContact CD1-CH2 3.43Å; F332-W615 AromaticContact CD1-CZ3 3.6Å; F332-W615 HydrophobicContact CD1-CZ3 3.6Å; F332-W615 AromaticContact CD2-CH2 3.86Å; F332-W615 HydrophobicContact CD2-CH2 3.86Å; F332-W615 HydrophobicContact CD2-CZ2 4.35Å; F332-W615 AromaticContact CE1-CH2 3.66Å; F332-W615 HydrophobicContact CE1-CH2 3.66Å; F332-W615 HydrophobicContact CE1-CZ2 4.48Å; F332-W615 AromaticContact CE1-CZ3 3.71Å; F332-W615 HydrophobicContact CE1-CZ3 3.71Å; F332-W615 HydrophobicContact CE2-CH2 4.06Å; F332-W615 HydrophobicContact CE2-CZ2 4.32Å; F332-W615 AromaticContact CG-CH2 3.54Å; F332-W615 HydrophobicContact CG-CH2 3.54Å; F332-W615 HydrophobicContact CG-CZ2 4.45Å; F332-W615 HydrophobicContact CG-CZ3 4.18Å; F332-W615 AromaticContact CZ-CH2 3.97Å; F332-W615 HydrophobicContact CZ-CH2 3.97Å; F332-W615 HydrophobicContact CZ-CZ2 4.38Å; F332-W615 HydrophobicContact CZ-CZ3 4.36Å
333	G	97.8	Very high	96.9	Very high	8 Å²	8	16.8 Å²	16.8	8%	0.082	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-128.8	-180	0	0	0	0	0	113.9	N596 G598	G333-N596 VanDerWaalsContact CA-CG 3.41Å; G333-N596 PolarHBondContact N-O 3.4Å; G333-N596 VanDerWaalsContact N-O 3.17Å; G333-G598 VanDerWaalsContact O-CA 3.23Å; G333-G598 WeakPolarHBondContact O-CA 3.17Å
334	F	98.4	Very high	96.4	Very high	8 Å²	8	23 Å²	23	4%	0.035	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	24.2	-177.4	-63	-53.7	0	0	0	112.9	F332 N336 Y439 M538 V589 R599	F332-F334 PolarHBondContact O-N 2.89Å; F334-N336 VanDerWaalsContact C-N 3.33Å; F334-N336 PolarHBondContact O-N 2.67Å; F334-Y439 HydrophobicContact CB-CD1 4.2Å; F334-Y439 HydrophobicContact CB-CG 4.09Å; F334-M538 HydrophobicContact CE2-CB 3.91Å; F334-M538 HydrophobicContact CE2-CG 4.1Å; F334-M538 HydrophobicContact CZ-CB 4.25Å; F334-M538 HydrophobicContact CZ-CG 4.04Å; F334-V589 HydrophobicContact CE1-CG1 4.29Å; F334-V589 HydrophobicContact CE1-CG2 3.59Å; F334-V589 HydrophobicContact CZ-CG1 4.34Å; F334-V589 HydrophobicContact CZ-CG2 3.94Å; F334-R599 HydrophobicContact CD1-CG 4.4Å; F334-R599 VanDerWaalsContact CD1-NH2 3.27Å
335	M	98.4	Very high	96.1	Very high	18 Å²	18	23.5 Å²	23.5	9%	0.089	16%	0.157	C	C	.	.			trans	-87.6	-0.1	-170	-61.6	-59.1	97.6	0	0	114.4	L112 W154 D155 F332 Y439	L112-M335 HydrophobicContact CD2-SD 3.61Å; L112-M335 HydrophobicContact CG-SD 4.23Å; W154-M335 CarbonylContact C-O 2.94Å; W154-M335 HydrophobicContact CD2-CB 4.03Å; W154-M335 HydrophobicContact CE3-CB 3.86Å; W154-M335 HydrophobicContact CH2-CB 3.2Å; W154-M335 HydrophobicContact CH2-CG 3.44Å; W154-M335 VanDerWaalsContact CH2-CG 3.44Å; W154-M335 HydrophobicContact CH2-SD 4.36Å; W154-M335 HydrophobicContact CZ2-CB 3.35Å; W154-M335 HydrophobicContact CZ2-CG 3.35Å; W154-M335 HydrophobicContact CZ2-SD 3.66Å; W154-M335 HydrophobicContact CZ3-CB 3.46Å; W154-M335 VanDerWaalsContact CZ3-CB 3.46Å; W154-M335 HydrophobicContact CZ3-CG 4.22Å; D155-M335 PolarHBondContact N-O 3.33Å; F332-M335 WeakPolarHBondContact O-CB 3.22Å; F332-M335 VanDerWaalsContact O-CG 3.23Å; F332-M335 WeakPolarHBondContact O-CG 3.45Å; F332-M335 PolarHBondContact O-N 3.47Å; M335-Y439 HydrophobicContact CE-CD1 3.8Å; M335-Y439 HydrophobicContact CE-CD2 3.91Å; M335-Y439 HydrophobicContact CE-CE1 3.5Å; M335-Y439 HydrophobicContact CE-CE2 3.63Å; M335-Y439 HydrophobicContact CE-CG 4Å; M335-Y439 VanDerWaalsContact CE-CZ 3.42Å
336	N	98.6	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-61.7	139.1	173.5	75.4	-83.7	0	0	0	110.3	N331 F334 M349 C501 G502 R599	N331-N336 HydrophobicContact CB-CB 4.24Å; F334-N336 VanDerWaalsContact C-N 3.33Å; F334-N336 PolarHBondContact O-N 2.67Å; N336-M349 PolarHBondContact ND2-O 2.63Å; N336-C501 PolarHBondContact ND2-O 3.4Å; N336-G502 WeakPolarHBondContact O-CA 3.3Å; N336-R599 PolarHBondContact OD1-NE 3.23Å
337	G	98.5	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.18	C	C	.	.			trans	-83	-174	167.7	0	0	0	0	0	113	E153 M349 N505	E153-G337 PolarHBondContact O-N 3.28Å; G337-M349 WeakPolarHBondContact O-CB 3.33Å; G337-M349 PolarHBondContact O-N 2.96Å; G337-N505 WeakPolarHBondContact CA-ND2 3.06Å
338	A	98.2	Very high	95.8	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.1	168.1	0	0	0	0	0	111.9	P346 E347 G502 R503 V504 N505	A338-P346 HydrophobicContact CB-CB 4.33Å; A338-E347 CarbonylContact C-O 3.52Å; A338-E347 VanDerWaalsContact CA-O 3.3Å; A338-E347 WeakPolarHBondContact CA-O 3.17Å; A338-E347 WeakPolarHBondContact CB-O 3.37Å; A338-G502 WeakPolarHBondContact CB-O 3.46Å; A338-R503 PolarHBondContact N-O 3.3Å; A338-V504 HydrophobicContact CB-CG2 4.25Å; A338-V504 WeakPolarHBondContact O-CA 3.31Å; A338-N505 PolarHBondContact N-ND2 3.45Å; A338-N505 PolarHBondContact O-N 2.92Å; A338-N505 PolarHBondContact O-ND2 2.87Å; A338-N505 VanDerWaalsContact O-ND2 3.09Å
339	F	96.6	Very high	95.7	Very high	53 Å²	53	28.8 Å²	28.8	23%	0.232	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137	176.1	-174.6	-104.1	0	0	0	110.4	F292 L294 V341 L343 P346 E347 M349	F292-F339 HydrophobicContact CE2-CB 4.48Å; F292-F339 HydrophobicContact CZ-CD2 4.15Å; L294-F339 HydrophobicContact CD1-CB 4.33Å; L294-F339 HydrophobicContact CD1-CD1 4.43Å; L294-F339 HydrophobicContact CD2-CB 3.95Å; F339-V341 WeakPolarHBondContact CE1-O 3.27Å; F339-V341 HydrophobicContact CE2-CB 4.2Å; F339-V341 HydrophobicContact CZ-CB 3.94Å; F339-V341 VanDerWaalsContact CZ-O 3.3Å; F339-V341 WeakPolarHBondContact CZ-O 3.35Å; F339-L343 HydrophobicContact CD1-CD1 3.67Å; F339-L343 HydrophobicContact CD1-CG 4.19Å; F339-L343 HydrophobicContact CE1-CD1 4.19Å; F339-L343 HydrophobicContact CE1-CG 4.23Å; F339-P346 CarbonylContact O-C 3.5Å; F339-P346 WeakPolarHBondContact O-CA 3.31Å; F339-E347 PolarHBondContact N-O 3.09Å; F339-E347 PolarHBondContact O-N 2.82Å; F339-M349 HydrophobicContact CB-CE 3.93Å
340	A	94.8	Very high	95.8	Very high	19 Å²	19	28.8 Å²	28.8	16%	0.157	19%	0.186	C	C	.	.			trans	-137	-14.5	-178.1	0	0	0	0	0	114.8	G342 L343 P346 V504	A340-G342 PolarHBondContact O-N 2.69Å; A340-L343 PolarHBondContact O-N 3.3Å; A340-L343 VanDerWaalsContact O-N 3.16Å; A340-P346 HydrophobicContact CB-CB 4.28Å; A340-P346 HydrophobicContact CB-CG 4.16Å; A340-V504 HydrophobicContact CB-CG1 4.02Å; A340-V504 HydrophobicContact CB-CG2 3.75Å
341	V	90.1	Very high	95.8	Very high	71 Å²	71	28.7 Å²	28.7	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	123.7	-174	175.7	0	0	0	0	110	F339 L343 Y506	F339-V341 WeakPolarHBondContact CE1-O 3.27Å; F339-V341 HydrophobicContact CE2-CB 4.2Å; F339-V341 HydrophobicContact CZ-CB 3.94Å; F339-V341 VanDerWaalsContact CZ-O 3.3Å; F339-V341 WeakPolarHBondContact CZ-O 3.35Å; V341-L343 PolarHBondContact O-N 3.26Å; V341-Y506 HydrophobicContact CG2-CD1 3.69Å; V341-Y506 HydrophobicContact CG2-CE1 4.07Å
342	G	87.8	Confident	95.8	Very high	82 Å²	82	29 Å²	29	85%	0.845	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	5.7	-178.5	0	0	0	0	0	114.8	A340	A340-G342 PolarHBondContact O-N 2.69Å
343	L	89.2	Confident	95.8	Very high	60 Å²	60	28.1 Å²	28.1	31%	0.314	18%	0.183	S	C	.	.	S	Bend	trans	-108.2	150.5	178.6	-62.7	-174.9	0	0	0	111.7	F339 A340 V341 A345 E347	F339-L343 HydrophobicContact CD1-CD1 3.67Å; F339-L343 HydrophobicContact CD1-CG 4.19Å; F339-L343 HydrophobicContact CE1-CD1 4.19Å; F339-L343 HydrophobicContact CE1-CG 4.23Å; A340-L343 PolarHBondContact O-N 3.3Å; A340-L343 VanDerWaalsContact O-N 3.16Å; V341-L343 PolarHBondContact O-N 3.26Å; L343-A345 WeakPolarHBondContact CB-O 3.48Å; L343-A345 PolarHBondContact O-N 2.95Å; L343-E347 HydrophobicContact CD1-CB 4.14Å; L343-E347 HydrophobicContact CD1-CG 3.87Å
344	P	88.1	Confident	95.8	Very high	129 Å²	129	28.2 Å²	28.2	84%	0.838	18%	0.182	S	C	*	.	S	Bend	trans	-68.5	-21.2	176	28.5	-35.3	0	0	0	113
345	A	91.6	Very high	95.8	Very high	15 Å²	15	28.1 Å²	28.1	12%	0.124	18%	0.182	C	C	.	.	S	Bend	trans	-152	156	177.4	0	0	0	0	0	110.3	L343 E347 Y478	L343-A345 WeakPolarHBondContact CB-O 3.48Å; L343-A345 PolarHBondContact O-N 2.95Å; A345-E347 PolarHBondContact O-N 3.45Å; A345-Y478 HydrophobicContact CB-CD1 4.19Å; A345-Y478 HydrophobicContact CB-CD2 4.07Å; A345-Y478 HydrophobicContact CB-CG 3.69Å
346	P	95	Very high	95.8	Very high	29 Å²	29	28.7 Å²	28.7	19%	0.188	19%	0.185	C	C	.	.			trans	-60.1	134.1	172.3	-23.7	34.9	0	0	0	112.5	A338 F339 A340 Y478 V504	A338-P346 HydrophobicContact CB-CB 4.33Å; F339-P346 CarbonylContact O-C 3.5Å; F339-P346 WeakPolarHBondContact O-CA 3.31Å; A340-P346 HydrophobicContact CB-CB 4.28Å; A340-P346 HydrophobicContact CB-CG 4.16Å; P346-Y478 HydrophobicContact CG-CE2 4.39Å; P346-V504 HydrophobicContact CB-CG2 3.73Å; P346-V504 HydrophobicContact CG-CG2 3.81Å
347	E	96.6	Very high	95.8	Very high	62 Å²	62	28.7 Å²	28.7	29%	0.29	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.4	173.8	-69.2	-171.4	-178.6	0	0	110.2	L294 A338 F339 L343 A345	L294-E347 HydrophobicContact CD1-CB 4.12Å; L294-E347 HydrophobicContact CD2-CB 4.49Å; A338-E347 CarbonylContact C-O 3.52Å; A338-E347 VanDerWaalsContact CA-O 3.3Å; A338-E347 WeakPolarHBondContact CA-O 3.17Å; A338-E347 WeakPolarHBondContact CB-O 3.37Å; F339-E347 PolarHBondContact N-O 3.09Å; F339-E347 PolarHBondContact O-N 2.82Å; L343-E347 HydrophobicContact CD1-CB 4.14Å; L343-E347 HydrophobicContact CD1-CG 3.87Å; A345-E347 PolarHBondContact O-N 3.45Å
348	P	97.9	Very high	95.8	Very high	20 Å²	20	28.7 Å²	28.7	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.8	-176.7	29.5	-33.2	0	0	0	111.7	W295 C501 W601	W295-P348 HydrophobicContact CB-CG 4.41Å; W295-P348 PolarHBondContact N-O 2.78Å; P348-C501 HydrophobicContact CB-CB 3.99Å; P348-C501 VanDerWaalsContact CB-O 3.3Å; P348-C501 WeakPolarHBondContact CB-O 3.37Å; P348-C501 HydrophobicContact CG-CB 4.22Å; P348-W601 HydrophobicContact CG-CZ3 4.36Å
349	M	98.5	Very high	95.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-74.5	154.1	173.8	-65.8	156.5	177.7	0	0	111.3	E153 F292 D293 L294 W295 N336 G337 F339 N505	E153-M349 VanDerWaalsContact CA-SD 3.52Å; E153-M349 HydrophobicContact CB-CE 3.94Å; E153-M349 HydrophobicContact CB-SD 3.34Å; E153-M349 WeakPolarHBondContact CB-SD 3.45Å; E153-M349 HydrophobicContact CG-CE 3.52Å; E153-M349 HydrophobicContact CG-SD 3.6Å; F292-M349 HydrophobicContact CD2-CE 3.98Å; F292-M349 HydrophobicContact CD2-CG 3.99Å; F292-M349 HydrophobicContact CD2-SD 4.45Å; F292-M349 HydrophobicContact CE1-CE 4.46Å; F292-M349 HydrophobicContact CE2-CE 3.63Å; F292-M349 HydrophobicContact CE2-CG 4.29Å; F292-M349 HydrophobicContact CZ-CE 3.9Å; D293-M349 WeakPolarHBondContact O-CA 3.38Å; L294-M349 HydrophobicContact CD2-CB 4.42Å; L294-M349 HydrophobicContact CD2-CG 3.63Å; W295-M349 PolarHBondContact NE1-O 3.05Å; W295-M349 VanDerWaalsContact NE1-O 3.16Å; N336-M349 PolarHBondContact ND2-O 2.63Å; G337-M349 WeakPolarHBondContact O-CB 3.33Å; G337-M349 PolarHBondContact O-N 2.96Å; F339-M349 HydrophobicContact CB-CE 3.93Å; M349-N505 VanDerWaalsContact CE-ND2 3.26Å; M349-N505 WeakPolarHBondContact CE-ND2 3.36Å; M349-N505 PolarHBondContact SD-ND2 3.16Å; M349-N505 VanDerWaalsContact SD-ND2 3.36Å
350	V	98.7	Very high	95.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-73.4	166.7	178.6	-50.6	0	0	0	0	112.3	D293 W295 N331 S352 P605 Q606	D293-V350 HydrophobicContact CB-CG1 3.98Å; D293-V350 HydrophobicContact CB-CG2 3.75Å; D293-V350 PolarHBondContact O-N 3.06Å; W295-V350 HydrophobicContact CD2-CB 4.41Å; W295-V350 HydrophobicContact CD2-CG1 3.85Å; W295-V350 HydrophobicContact CE3-CG1 4.14Å; W295-V350 HydrophobicContact CG-CG1 4.13Å; W295-V350 HydrophobicContact CH2-CB 4.49Å; W295-V350 HydrophobicContact CZ2-CB 4.09Å; W295-V350 HydrophobicContact CZ2-CG1 4.39Å; N331-V350 PolarHBondContact ND2-O 3.49Å; V350-S352 VanDerWaalsContact CG2-O 3.31Å; V350-S352 WeakPolarHBondContact CG2-O 3.49Å; V350-P605 HydrophobicContact CG1-CG 4.46Å; V350-Q606 HydrophobicContact CB-CB 4.25Å; V350-Q606 HydrophobicContact CG1-CB 4.45Å; V350-Q606 HydrophobicContact CG2-CB 4.49Å
351	T	98.9	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-72.6	-40.2	-179.8	-62.2	0	0	0	0	111.3	T330 N331 Y353 L597 R599 L609	T330-T351 HydrophobicContact CG2-CG2 3.88Å; T330-T351 WeakPolarHBondContact CG2-O 3.47Å; N331-T351 WeakPolarHBondContact CA-O 3.39Å; N331-T351 WeakPolarHBondContact CB-O 3.24Å; N331-T351 PolarHBondContact N-O 3.38Å; T351-Y353 PolarHBondContact O-N 3.13Å; T351-L597 WeakPolarHBondContact CG2-O 3.37Å; T351-R599 PolarHBondContact OG1-N 2.87Å; T351-R599 PolarHBondContact OG1-O 3.09Å; T351-L609 HydrophobicContact CG2-CD2 3.59Å
352	S	98.8	Very high	96.5	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.049	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-63.3	137.1	172.8	-173.1	0	0	0	0	109.7	V350 D354 E361 Y643	V350-S352 VanDerWaalsContact CG2-O 3.31Å; V350-S352 WeakPolarHBondContact CG2-O 3.49Å; S352-D354 WeakPolarHBondContact OG-CB 3.48Å; S352-D354 PolarHBondContact OG-N 2.56Å; S352-E361 WeakPolarHBondContact CB-OE2 3.45Å; S352-E361 PolarHBondContact OG-OE2 3.45Å; S352-Y643 WeakPolarHBondContact OG-CE1 3.33Å
353	Y	98.8	Very high	97	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.016	11%	0.11	C	C	.	.			trans	-120.6	41.2	167.3	-158.5	-110.7	0	0	0	108.9	R83 E153 F292 Y324 M325 G328 G329 T351 Y355	R83-Y353 PolarHBondContact NH1-OH 3.5Å; E153-Y353 HydrophobicContact CB-CD2 4.45Å; E153-Y353 HydrophobicContact CB-CE2 3.51Å; E153-Y353 HydrophobicContact CG-CE2 3.96Å; E153-Y353 PolarHBondContact OE2-OH 3.13Å; F292-Y353 HydrophobicContact CB-CD2 4.49Å; F292-Y353 HydrophobicContact CB-CE2 3.99Å; Y324-Y353 PolarHBondContact OH-OH 3.49Å; Y324-Y353 VanDerWaalsContact OH-OH 3.13Å; M325-Y353 HydrophobicContact CE-CE1 4.42Å; M325-Y353 HydrophobicContact CG-CD1 4.42Å; M325-Y353 HydrophobicContact CG-CE1 3.65Å; M325-Y353 HydrophobicContact SD-CE1 4.19Å; G328-Y353 CarbonylContact C-O 3.55Å; G328-Y353 VanDerWaalsContact C-O 3.23Å; G328-Y353 WeakPolarHBondContact CA-O 3.12Å; G329-Y353 PolarHBondContact N-O 2.69Å; G329-Y353 CarbonylContact O-C 3.08Å; G329-Y353 VanDerWaalsContact O-CA 3.22Å; G329-Y353 WeakPolarHBondContact O-CA 3.26Å; G329-Y353 WeakPolarHBondContact O-CB 3.14Å; G329-Y353 PolarHBondContact O-N 3.02Å; T351-Y353 PolarHBondContact O-N 3.13Å; Y353-Y355 HydrophobicContact CE1-CD2 4.04Å; Y353-Y355 AromaticContact CE2-CD2 3.98Å; Y353-Y355 HydrophobicContact CE2-CD2 3.98Å; Y353-Y355 HydrophobicContact CE2-CE2 4.42Å; Y353-Y355 AromaticContact CZ-CD2 3.7Å; Y353-Y355 PolarHBondContact O-N 3.04Å
354	D	98.6	Very high	97.4	Very high	11 Å²	11	17.2 Å²	17.2	6%	0.059	10%	0.103	C	C	.	.			trans	-51.6	-41	175.3	-178.3	-90	0	0	0	111.8	S352 D356 A357 S360 E361 Y643	S352-D354 WeakPolarHBondContact OG-CB 3.48Å; S352-D354 PolarHBondContact OG-N 2.56Å; D354-D356 PolarHBondContact O-N 3.34Å; D354-D356 VanDerWaalsContact O-N 3.1Å; D354-D356 WeakPolarHBondContact OD1-CA 3.16Å; D354-D356 PolarHBondContact OD1-N 3.32Å; D354-A357 VanDerWaalsContact O-CB 3.32Å; D354-A357 WeakPolarHBondContact O-CB 3.27Å; D354-A357 PolarHBondContact O-N 3.15Å; D354-A357 VanDerWaalsContact O-N 3.07Å; D354-S360 WeakPolarHBondContact OD2-CA 3.41Å; D354-S360 WeakPolarHBondContact OD2-CB 3.37Å; D354-E361 HydrophobicContact CB-CB 4.07Å; D354-E361 PolarHBondContact OD2-N 2.9Å; D354-Y643 HydrophobicContact CB-CE1 4.23Å; D354-Y643 HydrophobicContact CB-CE2 3.96Å; D354-Y643 VanDerWaalsContact CG-CE2 3.48Å; D354-Y643 WeakPolarHBondContact OD2-CE2 3.33Å; D354-Y643 PolarHBondContact OD2-OH 2.91Å
355	Y	98.6	Very high	97.9	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.02	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	7.6	174.7	-155.5	-91.9	0	0	0	114	G290 W291 F292 Y324 M325 Y353 A357	G290-Y355 CarbonylContact C-O 3.58Å; G290-Y355 WeakPolarHBondContact CA-O 3.47Å; G290-Y355 VanDerWaalsContact O-CE1 3.26Å; G290-Y355 WeakPolarHBondContact O-CE1 3.49Å; W291-Y355 PolarHBondContact N-O 2.83Å; W291-Y355 VanDerWaalsContact N-O 3.16Å; W291-Y355 CarbonylContact O-C 3.59Å; W291-Y355 VanDerWaalsContact O-CA 3.31Å; W291-Y355 WeakPolarHBondContact O-CA 3.29Å; F292-Y355 HydrophobicContact CB-CD2 4.39Å; F292-Y355 HydrophobicContact CB-CE2 4.44Å; Y324-Y355 HydrophobicContact CD1-CE1 4.4Å; Y324-Y355 HydrophobicContact CD1-CE2 4.47Å; Y324-Y355 AromaticContact CD1-CZ 3.92Å; Y324-Y355 HydrophobicContact CE1-CE2 4.18Å; Y324-Y355 WeakPolarHBondContact O-CE1 3.42Å; M325-Y355 HydrophobicContact CB-CD1 3.98Å; M325-Y355 HydrophobicContact CB-CG 4.13Å; M325-Y355 HydrophobicContact CG-CD1 4.06Å; M325-Y355 HydrophobicContact CG-CD2 4.14Å; M325-Y355 HydrophobicContact CG-CE1 4.44Å; M325-Y355 HydrophobicContact CG-CE2 4.47Å; M325-Y355 HydrophobicContact CG-CG 3.93Å; Y353-Y355 HydrophobicContact CE1-CD2 4.04Å; Y353-Y355 AromaticContact CE2-CD2 3.98Å; Y353-Y355 HydrophobicContact CE2-CD2 3.98Å; Y353-Y355 HydrophobicContact CE2-CE2 4.42Å; Y353-Y355 AromaticContact CZ-CD2 3.7Å; Y353-Y355 PolarHBondContact O-N 3.04Å; Y355-A357 PolarHBondContact O-N 2.97Å
356	D	98.6	Very high	98.2	Very high	30 Å²	30	13.8 Å²	13.8	16%	0.16	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.3	-162.7	-174.6	26.7	0	0	0	110.9	V301 F302 D354 K368	V301-D356 WeakPolarHBondContact CA-OD2 3.43Å; V301-D356 WeakPolarHBondContact CB-OD2 3.33Å; V301-D356 HydrophobicContact CG1-CB 4.47Å; F302-D356 PolarHBondContact N-OD2 2.79Å; D354-D356 PolarHBondContact O-N 3.34Å; D354-D356 VanDerWaalsContact O-N 3.1Å; D354-D356 WeakPolarHBondContact OD1-CA 3.16Å; D354-D356 PolarHBondContact OD1-N 3.32Å; D356-K368 WeakPolarHBondContact O-CD 3.49Å; D356-K368 PolarHBondContact O-NZ 3.19Å; D356-K368 IonicContact OD1-NZ 3.53Å; D356-K368 PolarHBondContact OD1-NZ 2.8Å; D356-K368 WeakPolarHBondContact OD2-CE 3.48Å; D356-K368 IonicContact OD2-NZ 3.53Å; D356-K368 PolarHBondContact OD2-NZ 3.17Å
357	A	98.7	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.			trans	-74.7	165.8	-176.5	0	0	0	0	0	112.2	M325 D354 Y355 L359 T366	M325-A357 HydrophobicContact CB-CB 4.22Å; M325-A357 WeakPolarHBondContact O-CB 3.37Å; D354-A357 VanDerWaalsContact O-CB 3.32Å; D354-A357 WeakPolarHBondContact O-CB 3.27Å; D354-A357 PolarHBondContact O-N 3.15Å; D354-A357 VanDerWaalsContact O-N 3.07Å; Y355-A357 PolarHBondContact O-N 2.97Å; A357-L359 WeakPolarHBondContact CB-O 3.25Å; A357-L359 PolarHBondContact O-N 3.09Å; A357-T366 PolarHBondContact O-OG1 2.99Å
358	P	98.8	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-51.8	-35.9	169.4	-29.7	37.8	0	0	0	113.8	M325 F326 T366 K368 Y369 L372	M325-P358 WeakPolarHBondContact O-CD 3.44Å; F326-P358 HydrophobicContact CD2-CB 3.86Å; F326-P358 HydrophobicContact CD2-CG 3.99Å; F326-P358 HydrophobicContact CE2-CB 3.8Å; F326-P358 HydrophobicContact CE2-CG 4.37Å; F326-P358 WeakPolarHBondContact O-CD 3.35Å; P358-T366 WeakPolarHBondContact O-CG2 3.46Å; P358-T366 PolarHBondContact O-N 2.91Å; P358-T366 PolarHBondContact O-OG1 3.03Å; P358-K368 HydrophobicContact CB-CB 4.45Å; P358-K368 HydrophobicContact CG-CB 4.42Å; P358-Y369 VanDerWaalsContact O-CB 3.27Å; P358-Y369 WeakPolarHBondContact O-CB 3.49Å; P358-L372 HydrophobicContact CB-CD1 3.9Å; P358-L372 HydrophobicContact CG-CD1 3.44Å; P358-L372 VanDerWaalsContact CG-CD1 3.44Å
359	L	98.6	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-110.2	130.2	166.2	-61.8	-178.7	0	0	0	110.6	K95 F326 H327 A357 D364 Y365 Y369	K95-L359 HydrophobicContact CB-CD1 3.78Å; K95-L359 HydrophobicContact CB-CD2 4.45Å; K95-L359 HydrophobicContact CD-CD1 4.14Å; K95-L359 HydrophobicContact CD-CD2 4.29Å; F326-L359 HydrophobicContact CD1-CD1 4.26Å; F326-L359 HydrophobicContact CE1-CD1 3.56Å; F326-L359 HydrophobicContact CE1-CG 3.89Å; F326-L359 HydrophobicContact CZ-CD1 4.2Å; F326-L359 HydrophobicContact CZ-CG 4.14Å; F326-L359 PolarHBondContact O-N 3.32Å; H327-L359 HydrophobicContact CB-CB 3.9Å; H327-L359 HydrophobicContact CB-CD1 4.21Å; H327-L359 PolarHBondContact ND1-O 3.04Å; A357-L359 WeakPolarHBondContact CB-O 3.25Å; A357-L359 PolarHBondContact O-N 3.09Å; L359-D364 VanDerWaalsContact CA-O 3.3Å; L359-D364 WeakPolarHBondContact CA-O 3.47Å; L359-D364 WeakPolarHBondContact CD2-O 3.41Å; L359-Y365 HydrophobicContact CD2-CD1 3.76Å; L359-Y365 HydrophobicContact CD2-CE1 4.25Å; L359-Y369 HydrophobicContact CD2-CD2 3.58Å; L359-Y369 HydrophobicContact CD2-CE2 3.95Å; L359-Y369 HydrophobicContact CD2-CG 4.32Å; L359-Y369 HydrophobicContact CG-CD2 4.24Å
360	S	98.6	Very high	98.5	Very high	12 Å²	12	16.9 Å²	16.9	8%	0.084	9%	0.091	C	C	.	.			trans	-60.8	172.1	178	70.3	0	0	0	0	112.9	H327 D354 A362 G363 D364	H327-S360 PolarHBondContact CE1-O 3.36Å; H327-S360 PolarHBondContact ND1-O 3.25Å; D354-S360 WeakPolarHBondContact OD2-CA 3.41Å; D354-S360 WeakPolarHBondContact OD2-CB 3.37Å; S360-A362 PolarHBondContact O-N 3.26Å; S360-A362 VanDerWaalsContact O-N 3.17Å; S360-G363 WeakPolarHBondContact O-CA 3.2Å; S360-G363 PolarHBondContact O-N 3.46Å; S360-G363 PolarHBondContact OG-N 3.47Å; S360-D364 PolarHBondContact N-O 3.34Å; S360-D364 VanDerWaalsContact N-O 3.16Å; S360-D364 VanDerWaalsContact OG-CB 3.32Å; S360-D364 WeakPolarHBondContact OG-CB 3.46Å; S360-D364 PolarHBondContact OG-N 3.1Å; S360-D364 PolarHBondContact OG-OD2 3.15Å; S360-D364 VanDerWaalsContact OG-OD2 3.06Å
361	E	98.8	Very high	98.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.009	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.6	172.2	177.2	171.2	-161.1	0	0	113	H327 G329 T330 S352 D354 G363 Y610 Y643	H327-E361 PolarHBondContact CE1-O 3.17Å; G329-E361 WeakPolarHBondContact O-CG 3.11Å; T330-E361 WeakPolarHBondContact CB-OE1 3.14Å; T330-E361 VanDerWaalsContact CG2-OE1 3.29Å; T330-E361 WeakPolarHBondContact CG2-OE1 3.38Å; T330-E361 VanDerWaalsContact OG1-CG 3.3Å; T330-E361 WeakPolarHBondContact OG1-CG 3.21Å; T330-E361 PolarHBondContact OG1-OE1 2.94Å; S352-E361 WeakPolarHBondContact CB-OE2 3.45Å; S352-E361 PolarHBondContact OG-OE2 3.45Å; D354-E361 HydrophobicContact CB-CB 4.07Å; D354-E361 PolarHBondContact OD2-N 2.9Å; E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 2.93Å; E361-Y610 HydrophobicContact CG-CD1 4.19Å; E361-Y610 HydrophobicContact CG-CG 4.26Å; E361-Y610 WeakPolarHBondContact OE1-CB 3.49Å; E361-Y643 WeakPolarHBondContact CB-OH 3.29Å; E361-Y643 WeakPolarHBondContact OE2-CE1 3.49Å; E361-Y643 PolarHBondContact OE2-OH 3.06Å
362	A	98	Very high	98.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.3	178.8	0	0	0	0	0	113.8	R92 S360 F579 Y610	R92-A362 PolarHBondContact NH2-O 2.9Å; S360-A362 PolarHBondContact O-N 3.26Å; S360-A362 VanDerWaalsContact O-N 3.17Å; A362-F579 HydrophobicContact CB-CZ 4.12Å; A362-Y610 HydrophobicContact CB-CD2 4.26Å; A362-Y610 HydrophobicContact CB-CE2 3.75Å
363	G	97.9	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.			trans	82.3	25.2	179.8	0	0	0	0	0	114.6	K95 S360 E361	K95-G363 PolarHBondContact NZ-O 3.1Å; S360-G363 WeakPolarHBondContact O-CA 3.2Å; S360-G363 PolarHBondContact O-N 3.46Å; S360-G363 PolarHBondContact OG-N 3.47Å; E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 2.93Å
364	D	97.9	Very high	98.5	Very high	32 Å²	32	25.3 Å²	25.3	17%	0.171	13%	0.132	C	C	.	.			trans	-77.2	152.4	174.3	-54.5	-55.9	0	0	0	111.6	L359 S360 R393	L359-D364 VanDerWaalsContact CA-O 3.3Å; L359-D364 WeakPolarHBondContact CA-O 3.47Å; L359-D364 WeakPolarHBondContact CD2-O 3.41Å; S360-D364 PolarHBondContact N-O 3.34Å; S360-D364 VanDerWaalsContact N-O 3.16Å; S360-D364 VanDerWaalsContact OG-CB 3.32Å; S360-D364 WeakPolarHBondContact OG-CB 3.46Å; S360-D364 PolarHBondContact OG-N 3.1Å; S360-D364 PolarHBondContact OG-OD2 3.15Å; S360-D364 VanDerWaalsContact OG-OD2 3.06Å; D364-R393 IonicContact OD1-CZ 3.67Å; D364-R393 IonicContact OD1-NH1 3.45Å; D364-R393 IonicContact OD1-NH2 3.67Å; D364-R393 IonicContact OD2-CZ 2.75Å; D364-R393 IonicContact OD2-NH1 2.71Å; D364-R393 PolarHBondContact OD2-NH1 3.09Å; D364-R393 IonicContact OD2-NH2 2.68Å; D364-R393 PolarHBondContact OD2-NH2 3.23Å
365	Y	98.4	Very high	98.5	Very high	37 Å²	37	25.9 Å²	25.9	15%	0.145	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-70.6	131.1	168.9	-54.7	-60.9	0	0	0	110.8	K95 L359 Y369 L387 P388 T390	K95-Y365 HydrophobicContact CB-CE1 4.08Å; K95-Y365 HydrophobicContact CD-CE1 3.85Å; K95-Y365 HydrophobicContact CG-CE1 3.71Å; K95-Y365 WeakPolarHBondContact CG-OH 3.26Å; L359-Y365 HydrophobicContact CD2-CD1 3.76Å; L359-Y365 HydrophobicContact CD2-CE1 4.25Å; Y365-Y369 AromaticContact CD1-CD1 3.46Å; Y365-Y369 HydrophobicContact CD1-CD1 3.46Å; Y365-Y369 VanDerWaalsContact CD1-CD1 3.46Å; Y365-Y369 AromaticContact CD1-CD2 3.82Å; Y365-Y369 HydrophobicContact CD1-CD2 3.82Å; Y365-Y369 AromaticContact CD1-CE1 3.34Å; Y365-Y369 HydrophobicContact CD1-CE1 3.34Å; Y365-Y369 AromaticContact CD1-CE2 3.68Å; Y365-Y369 HydrophobicContact CD1-CE2 3.68Å; Y365-Y369 AromaticContact CD1-CG 3.72Å; Y365-Y369 HydrophobicContact CD1-CG 3.72Å; Y365-Y369 AromaticContact CD1-CZ 3.47Å; Y365-Y369 VanDerWaalsContact CD1-CZ 3.47Å; Y365-Y369 HydrophobicContact CE1-CD1 4.18Å; Y365-Y369 HydrophobicContact CE1-CD2 4.34Å; Y365-Y369 AromaticContact CE1-CE1 3.58Å; Y365-Y369 HydrophobicContact CE1-CE1 3.58Å; Y365-Y369 AromaticContact CE1-CE2 3.73Å; Y365-Y369 HydrophobicContact CE1-CE2 3.73Å; Y365-Y369 AromaticContact CE1-CZ 3.33Å; Y365-Y369 WeakPolarHBondContact CE1-OH 3.46Å; Y365-Y369 HydrophobicContact CG-CD1 4.09Å; Y365-Y369 HydrophobicContact CG-CE1 4.18Å; Y365-L387 HydrophobicContact CE1-CD2 4.39Å; Y365-L387 HydrophobicContact CE2-CB 4.4Å; Y365-P388 VanDerWaalsContact OH-CD 3.22Å; Y365-P388 WeakPolarHBondContact OH-CD 3.49Å; Y365-P388 PolarHBondContact OH-O 3.28Å; Y365-T390 HydrophobicContact CD2-CG2 3.73Å; Y365-T390 HydrophobicContact CE2-CG2 3.8Å
366	T	98.3	Very high	98.5	Very high	34 Å²	34	25.7 Å²	25.7	21%	0.209	13%	0.134	C	C	.	.			trans	-105.1	173.5	172.7	73.3	0	0	0	0	111.4	A357 P358 K368 Y369 H370	A357-T366 PolarHBondContact O-OG1 2.99Å; P358-T366 WeakPolarHBondContact O-CG2 3.46Å; P358-T366 PolarHBondContact O-N 2.91Å; P358-T366 PolarHBondContact O-OG1 3.03Å; T366-K368 PolarHBondContact O-N 3.15Å; T366-K368 PolarHBondContact OG1-N 3.09Å; T366-Y369 WeakPolarHBondContact O-CB 3.35Å; T366-Y369 PolarHBondContact O-N 3.49Å; T366-Y369 VanDerWaalsContact O-N 3.13Å; T366-Y369 PolarHBondContact OG1-N 2.88Å; T366-H370 PolarHBondContact O-CD2 2.95Å; T366-H370 VanDerWaalsContact O-CD2 3.25Å; T366-H370 PolarHBondContact O-N 2.78Å
367	T	98.5	Very high	98.4	Very high	95 Å²	95	27 Å²	27	58%	0.583	15%	0.146	S	C	*	.	H	α-helix	trans	-54.6	-40.5	170.9	-55.4	0	0	0	0	111.6	A304 Y369 H370 L371	A304-T367 HydrophobicContact CB-CG2 4Å; T367-Y369 VanDerWaalsContact C-N 3.32Å; T367-Y369 PolarHBondContact O-N 3.29Å; T367-H370 PolarHBondContact O-N 2.67Å; T367-L371 HydrophobicContact CG2-CD1 4.07Å; T367-L371 HydrophobicContact CG2-CG 4.42Å; T367-L371 WeakPolarHBondContact O-CG 3.34Å; T367-L371 PolarHBondContact O-N 2.86Å; T367-L371 VanDerWaalsContact O-N 3.08Å
368	K	98.8	Very high	98.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-43.3	176.9	-69.2	177	-179.1	-177.9	0	111.8	S289 F302 A304 M307 D356 P358 T366 H370 L371 L372	S289-K368 PolarHBondContact O-NZ 2.97Å; F302-K368 WeakPolarHBondContact O-CE 3.5Å; F302-K368 PolarHBondContact O-NZ 3.22Å; A304-K368 HydrophobicContact CB-CG 3.63Å; M307-K368 HydrophobicContact CE-CB 3.93Å; M307-K368 HydrophobicContact CE-CD 4.36Å; M307-K368 HydrophobicContact CE-CG 3.98Å; M307-K368 HydrophobicContact SD-CB 4.35Å; M307-K368 HydrophobicContact SD-CD 3.79Å; M307-K368 HydrophobicContact SD-CG 4.08Å; D356-K368 WeakPolarHBondContact O-CD 3.49Å; D356-K368 PolarHBondContact O-NZ 3.19Å; D356-K368 IonicContact OD1-NZ 3.53Å; D356-K368 PolarHBondContact OD1-NZ 2.8Å; D356-K368 WeakPolarHBondContact OD2-CE 3.48Å; D356-K368 IonicContact OD2-NZ 3.53Å; D356-K368 PolarHBondContact OD2-NZ 3.17Å; P358-K368 HydrophobicContact CB-CB 4.45Å; P358-K368 HydrophobicContact CG-CB 4.42Å; T366-K368 PolarHBondContact O-N 3.15Å; T366-K368 PolarHBondContact OG1-N 3.09Å; K368-H370 PolarHBondContact O-N 2.9Å; K368-L371 PolarHBondContact O-N 3.41Å; K368-L372 WeakPolarHBondContact O-CB 3.23Å; K368-L372 VanDerWaalsContact O-CG 3.27Å; K368-L372 WeakPolarHBondContact O-CG 3.37Å; K368-L372 PolarHBondContact O-N 3.02Å
369	Y	98.8	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-47.1	177.7	177.9	-82.9	0	0	0	112.4	K95 C99 F326 P358 L359 Y365 T366 T367 L372 R373 L387	K95-Y369 HydrophobicContact CB-CE2 4.46Å; K95-Y369 WeakPolarHBondContact O-CE2 3.48Å; K95-Y369 PolarHBondContact O-OH 2.74Å; C99-Y369 HydrophobicContact CB-CD2 4.14Å; C99-Y369 HydrophobicContact CB-CE2 3.54Å; C99-Y369 PolarHBondContact N-OH 3.31Å; F326-Y369 HydrophobicContact CE2-CD2 4.26Å; F326-Y369 AromaticContact CZ-CD2 3.86Å; F326-Y369 HydrophobicContact CZ-CD2 3.86Å; F326-Y369 AromaticContact CZ-CE2 3.86Å; F326-Y369 HydrophobicContact CZ-CE2 3.86Å; P358-Y369 VanDerWaalsContact O-CB 3.27Å; P358-Y369 WeakPolarHBondContact O-CB 3.49Å; L359-Y369 HydrophobicContact CD2-CD2 3.58Å; L359-Y369 HydrophobicContact CD2-CE2 3.95Å; L359-Y369 HydrophobicContact CD2-CG 4.32Å; L359-Y369 HydrophobicContact CG-CD2 4.24Å; Y365-Y369 AromaticContact CD1-CD1 3.46Å; Y365-Y369 HydrophobicContact CD1-CD1 3.46Å; Y365-Y369 VanDerWaalsContact CD1-CD1 3.46Å; Y365-Y369 AromaticContact CD1-CD2 3.82Å; Y365-Y369 HydrophobicContact CD1-CD2 3.82Å; Y365-Y369 AromaticContact CD1-CE1 3.34Å; Y365-Y369 HydrophobicContact CD1-CE1 3.34Å; Y365-Y369 AromaticContact CD1-CE2 3.68Å; Y365-Y369 HydrophobicContact CD1-CE2 3.68Å; Y365-Y369 AromaticContact CD1-CG 3.72Å; Y365-Y369 HydrophobicContact CD1-CG 3.72Å; Y365-Y369 AromaticContact CD1-CZ 3.47Å; Y365-Y369 VanDerWaalsContact CD1-CZ 3.47Å; Y365-Y369 HydrophobicContact CE1-CD1 4.18Å; Y365-Y369 HydrophobicContact CE1-CD2 4.34Å; Y365-Y369 AromaticContact CE1-CE1 3.58Å; Y365-Y369 HydrophobicContact CE1-CE1 3.58Å; Y365-Y369 AromaticContact CE1-CE2 3.73Å; Y365-Y369 HydrophobicContact CE1-CE2 3.73Å; Y365-Y369 AromaticContact CE1-CZ 3.33Å; Y365-Y369 WeakPolarHBondContact CE1-OH 3.46Å; Y365-Y369 HydrophobicContact CG-CD1 4.09Å; Y365-Y369 HydrophobicContact CG-CE1 4.18Å; T366-Y369 WeakPolarHBondContact O-CB 3.35Å; T366-Y369 PolarHBondContact O-N 3.49Å; T366-Y369 VanDerWaalsContact O-N 3.13Å; T366-Y369 PolarHBondContact OG1-N 2.88Å; T367-Y369 VanDerWaalsContact C-N 3.32Å; T367-Y369 PolarHBondContact O-N 3.29Å; Y369-L372 PolarHBondContact O-N 3.46Å; Y369-R373 WeakPolarHBondContact O-CB 3.45Å; Y369-R373 PolarHBondContact O-N 2.63Å; Y369-L387 HydrophobicContact CE1-CD2 3.56Å; Y369-L387 WeakPolarHBondContact OH-CD2 3.46Å
370	H	98.7	Very high	97.9	Very high	80 Å²	80	37.8 Å²	37.8	37%	0.37	20%	0.202	S	C	.	.	H	α-helix	trans	-66.6	-40.8	-178.2	-68.5	-62.7	0	0	0	112	T366 T367 K368 R373 N374	T366-H370 PolarHBondContact O-CD2 2.95Å; T366-H370 VanDerWaalsContact O-CD2 3.25Å; T366-H370 PolarHBondContact O-N 2.78Å; T367-H370 PolarHBondContact O-N 2.67Å; K368-H370 PolarHBondContact O-N 2.9Å; H370-R373 PolarHBondContact O-N 3.26Å; H370-N374 PolarHBondContact O-N 3.06Å; H370-N374 PolarHBondContact O-ND2 2.99Å
371	L	98.8	Very high	97.5	Very high	39 Å²	39	45.1 Å²	45.1	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-41.3	176.3	-64.5	174.6	0	0	0	112.3	A304 E305 I308 T367 K368 N374 L375	A304-L371 HydrophobicContact CB-CD1 3.91Å; E305-L371 WeakPolarHBondContact OE1-CD1 3.45Å; I308-L371 HydrophobicContact CD1-CB 3.59Å; I308-L371 HydrophobicContact CG1-CB 3.59Å; I308-L371 HydrophobicContact CG1-CD1 3.97Å; I308-L371 HydrophobicContact CG1-CG 4.43Å; T367-L371 HydrophobicContact CG2-CD1 4.07Å; T367-L371 HydrophobicContact CG2-CG 4.42Å; T367-L371 WeakPolarHBondContact O-CG 3.34Å; T367-L371 PolarHBondContact O-N 2.86Å; T367-L371 VanDerWaalsContact O-N 3.08Å; K368-L371 PolarHBondContact O-N 3.41Å; L371-N374 PolarHBondContact O-N 3.14Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 PolarHBondContact O-N 3.49Å
372	L	98.7	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-46.3	174.9	-76.6	169.5	0	0	0	111.2	M307 I308 V311 M323 P358 K368 Y369 N374 L375 F376	M307-L372 HydrophobicContact CE-CD1 3.89Å; M307-L372 HydrophobicContact CE-CD2 3.93Å; M307-L372 HydrophobicContact CE-CG 3.77Å; I308-L372 HydrophobicContact CD1-CB 4.42Å; I308-L372 HydrophobicContact CD1-CD2 3.67Å; I308-L372 HydrophobicContact CD1-CG 3.77Å; V311-L372 HydrophobicContact CG1-CD2 4.29Å; V311-L372 HydrophobicContact CG2-CD2 4.32Å; M323-L372 HydrophobicContact CE-CD1 3.83Å; M323-L372 HydrophobicContact CE-CD2 3.96Å; M323-L372 HydrophobicContact SD-CD2 4.35Å; P358-L372 HydrophobicContact CB-CD1 3.9Å; P358-L372 HydrophobicContact CG-CD1 3.44Å; P358-L372 VanDerWaalsContact CG-CD1 3.44Å; K368-L372 WeakPolarHBondContact O-CB 3.23Å; K368-L372 VanDerWaalsContact O-CG 3.27Å; K368-L372 WeakPolarHBondContact O-CG 3.37Å; K368-L372 PolarHBondContact O-N 3.02Å; Y369-L372 PolarHBondContact O-N 3.46Å; L372-N374 VanDerWaalsContact C-N 3.3Å; L372-N374 PolarHBondContact O-N 3.36Å; L372-L375 PolarHBondContact O-N 2.94Å; L372-L375 VanDerWaalsContact O-N 3.15Å; L372-F376 HydrophobicContact CB-CD2 4.45Å; L372-F376 HydrophobicContact CB-CE2 4.29Å; L372-F376 HydrophobicContact CD2-CE2 4.12Å; L372-F376 HydrophobicContact CD2-CZ 3.91Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 WeakPolarHBondContact O-CG 3.37Å; L372-F376 PolarHBondContact O-N 3.06Å
373	R	98.6	Very high	96.9	Very high	43 Å²	43	57.6 Å²	57.6	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-45.3	177	-178.9	-179.3	164.8	100	-0.2	111.5	A98 C99 Y369 H370 L375 F376 S377 L384 P385	A98-R373 VanDerWaalsContact C-NH1 3.3Å; A98-R373 PolarHBondContact O-NH1 3.4Å; C99-R373 WeakPolarHBondContact O-CA 3.44Å; Y369-R373 WeakPolarHBondContact O-CB 3.45Å; Y369-R373 PolarHBondContact O-N 2.63Å; H370-R373 PolarHBondContact O-N 3.26Å; R373-L375 PolarHBondContact O-N 2.9Å; R373-F376 PolarHBondContact O-N 3.48Å; R373-S377 WeakPolarHBondContact O-CB 3.44Å; R373-S377 PolarHBondContact O-N 3.4Å; R373-L384 HydrophobicContact CG-CD1 3.65Å; R373-L384 PolarHBondContact NH2-O 2.76Å; R373-P385 VanDerWaalsContact CZ-O 3.25Å; R373-P385 PolarHBondContact NH1-O 2.8Å; R373-P385 PolarHBondContact NH2-O 3.21Å
374	N	98.3	Very high	96.9	Very high	107 Å²	107	58.7 Å²	58.7	57%	0.572	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-45.7	176.8	-71.3	-15.5	0	0	0	111.1	H370 L371 L372 S377	H370-N374 PolarHBondContact O-N 3.06Å; H370-N374 PolarHBondContact O-ND2 2.99Å; L371-N374 PolarHBondContact O-N 3.14Å; L372-N374 VanDerWaalsContact C-N 3.3Å; L372-N374 PolarHBondContact O-N 3.36Å; N374-S377 PolarHBondContact O-OG 3.17Å
375	L	98.4	Very high	96.8	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-51.5	177	178.8	59.2	0	0	0	112.4	V311 K312 L315 L371 L372 R373 S377 S378 Y379	V311-L375 HydrophobicContact CB-CD2 4.23Å; V311-L375 HydrophobicContact CG1-CD2 3.64Å; K312-L375 HydrophobicContact CG-CD1 3.78Å; K312-L375 HydrophobicContact CG-CD2 3.83Å; K312-L375 HydrophobicContact CG-CG 4.48Å; L315-L375 HydrophobicContact CD1-CD2 3.99Å; L315-L375 HydrophobicContact CD1-CG 4.16Å; L371-L375 WeakPolarHBondContact O-CB 3.33Å; L371-L375 PolarHBondContact O-N 3.49Å; L372-L375 PolarHBondContact O-N 2.94Å; L372-L375 VanDerWaalsContact O-N 3.15Å; R373-L375 PolarHBondContact O-N 2.9Å; L375-S377 VanDerWaalsContact C-N 3.27Å; L375-S377 PolarHBondContact O-N 2.95Å; L375-S378 PolarHBondContact O-N 3.48Å; L375-S378 PolarHBondContact O-OG 2.78Å; L375-Y379 HydrophobicContact CD1-CE2 4.19Å; L375-Y379 WeakPolarHBondContact O-CD2 3.27Å
376	F	98.1	Very high	96.7	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-68.8	-22.3	-176.8	-67	-21.4	0	0	0	113.5	L75 I101 V311 L315 L372 R373 S378 Y379 H380	L75-F376 HydrophobicContact CD1-CB 4.36Å; L75-F376 HydrophobicContact CD1-CD1 4.06Å; L75-F376 HydrophobicContact CD1-CG 4.17Å; L75-F376 HydrophobicContact CD2-CD1 4.26Å; L75-F376 HydrophobicContact CD2-CE1 4.04Å; I101-F376 HydrophobicContact CG1-CD2 4.37Å; I101-F376 HydrophobicContact CG1-CE2 4Å; V311-F376 HydrophobicContact CG1-CE1 4.14Å; V311-F376 HydrophobicContact CG1-CZ 4.47Å; L315-F376 HydrophobicContact CD1-CD1 4.35Å; L315-F376 HydrophobicContact CD1-CE1 4.06Å; L372-F376 HydrophobicContact CB-CD2 4.45Å; L372-F376 HydrophobicContact CB-CE2 4.29Å; L372-F376 HydrophobicContact CD2-CE2 4.12Å; L372-F376 HydrophobicContact CD2-CZ 3.91Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 WeakPolarHBondContact O-CG 3.37Å; L372-F376 PolarHBondContact O-N 3.06Å; R373-F376 PolarHBondContact O-N 3.48Å; F376-S378 PolarHBondContact O-N 2.87Å; F376-Y379 PolarHBondContact O-N 3.07Å; F376-H380 PolarHBondContact O-ND1 2.8Å
377	S	97.1	Very high	96.6	Very high	58 Å²	58	68.4 Å²	68.4	41%	0.406	37%	0.366	S	S	.	.	H	α-helix	trans	-55.3	-35.7	173.3	75.3	0	0	0	0	112.5	R373 N374 L375 Y379 H380	R373-S377 WeakPolarHBondContact O-CB 3.44Å; R373-S377 PolarHBondContact O-N 3.4Å; N374-S377 PolarHBondContact O-OG 3.17Å; L375-S377 VanDerWaalsContact C-N 3.27Å; L375-S377 PolarHBondContact O-N 2.95Å; S377-Y379 PolarHBondContact O-N 2.83Å; S377-H380 PolarHBondContact O-N 2.73Å
378	S	95.9	Very high	96.5	Very high	86 Å²	86	65 Å²	65	60%	0.601	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.7	178	68.9	0	0	0	0	114.4	L375 F376	L375-S378 PolarHBondContact O-N 3.48Å; L375-S378 PolarHBondContact O-OG 2.78Å; F376-S378 PolarHBondContact O-N 2.87Å
379	Y	94.9	Very high	96.3	Very high	83 Å²	83	70.2 Å²	70.2	33%	0.325	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.7	178.3	-66.2	-88.7	0	0	0	112.8	R73 L315 L375 F376 S377	R73-Y379 VanDerWaalsContact NH1-CE1 3.27Å; L315-Y379 HydrophobicContact CB-CE1 4.34Å; L315-Y379 WeakPolarHBondContact CB-OH 3.47Å; L315-Y379 HydrophobicContact CD1-CD2 4.31Å; L315-Y379 HydrophobicContact CD1-CE2 3.63Å; L375-Y379 HydrophobicContact CD1-CE2 4.19Å; L375-Y379 WeakPolarHBondContact O-CD2 3.27Å; F376-Y379 PolarHBondContact O-N 3.07Å; S377-Y379 PolarHBondContact O-N 2.83Å
380	H	93.9	Very high	95.9	Very high	57 Å²	57	74.7 Å²	74.7	26%	0.264	41%	0.407	S	S	.	.			trans	-118.2	138.4	176.9	-68.2	75.3	0	0	0	110.7	G100 F376 S377 Q382 L384	G100-H380 PolarHBondContact O-CE1 3.11Å; G100-H380 PolarHBondContact O-NE2 2.72Å; F376-H380 PolarHBondContact O-ND1 2.8Å; S377-H380 PolarHBondContact O-N 2.73Å; H380-Q382 WeakPolarHBondContact CB-O 3.33Å; H380-Q382 PolarHBondContact O-N 3.5Å; H380-L384 HydrophobicContact CB-CD2 4.15Å
381	N	89.8	Confident	95.5	Very high	167 Å²	167	72.7 Å²	72.7	89%	0.893	40%	0.398	S	S	*	.	S	Bend	trans	-78.7	-11.4	175.9	-65.4	-20.9	0	0	0	113
382	Q	91.2	Very high	95.1	Very high	147 Å²	147	76.8 Å²	76.8	69%	0.687	42%	0.415	S	S	*	.	S	Bend	trans	-123.3	150	-179.7	-64.8	-62.2	-38.8	0	0	109	H380 L384	H380-Q382 WeakPolarHBondContact CB-O 3.33Å; H380-Q382 PolarHBondContact O-N 3.5Å; Q382-L384 PolarHBondContact O-N 2.91Å
383	P	94.5	Very high	95	Very high	118 Å²	118	80.2 Å²	80.2	77%	0.766	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-53.3	138.7	172.5	-24.2	34	0	0	0	111.1
384	L	96.9	Very high	94.9	Very high	23 Å²	23	82 Å²	82	12%	0.12	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64	144.4	174.7	-63.6	-177	0	0	0	110	R373 H380 Q382	R373-L384 HydrophobicContact CG-CD1 3.65Å; R373-L384 PolarHBondContact NH2-O 2.76Å; H380-L384 HydrophobicContact CB-CD2 4.15Å; Q382-L384 PolarHBondContact O-N 2.91Å
385	P	96.3	Very high	94.8	Very high	62 Å²	62	79.6 Å²	79.6	40%	0.403	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-52.5	155.4	176.3	-24.9	33.4	0	0	0	112.4	R373	R373-P385 VanDerWaalsContact CZ-O 3.25Å; R373-P385 PolarHBondContact NH1-O 2.8Å; R373-P385 PolarHBondContact NH2-O 3.21Å
386	E	96.3	Very high	94.8	Very high	178 Å²	178	79.3 Å²	79.3	83%	0.832	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.8	154.8	171.9	-66.9	-171.5	170	0	0	111.6	P388	E386-P388 WeakPolarHBondContact O-CD 3.36Å
387	L	97.1	Very high	94.7	Very high	67 Å²	67	87.4 Å²	87.4	35%	0.351	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-71.4	127.2	177.6	-64.1	-177.6	0	0	0	109.8	A98 Y365 Y369	A98-L387 HydrophobicContact CB-CD2 4.19Å; Y365-L387 HydrophobicContact CE1-CD2 4.39Å; Y365-L387 HydrophobicContact CE2-CB 4.4Å; Y369-L387 HydrophobicContact CE1-CD2 3.56Å; Y369-L387 WeakPolarHBondContact OH-CD2 3.46Å
388	P	96.1	Very high	94.7	Very high	23 Å²	23	87 Å²	87	15%	0.149	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-52.7	146.6	166.3	-26.9	33.7	0	0	0	111.5	L94 K95 Y365 E386	L94-P388 HydrophobicContact CB-CG 3.83Å; K95-P388 HydrophobicContact CG-CB 4.24Å; K95-P388 HydrophobicContact CG-CG 4.04Å; Y365-P388 VanDerWaalsContact OH-CD 3.22Å; Y365-P388 WeakPolarHBondContact OH-CD 3.49Å; Y365-P388 PolarHBondContact OH-O 3.28Å; E386-P388 WeakPolarHBondContact O-CD 3.36Å
389	P	94.1	Very high	94.7	Very high	114 Å²	114	83 Å²	83	74%	0.74	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.7	144.6	175.2	-25.3	34.4	0	0	0	112.1
390	T	91.5	Very high	94.8	Very high	93 Å²	93	83.8 Å²	83.8	57%	0.571	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-67.6	142.8	173.3	46.6	0	0	0	0	110.4	Y365	Y365-T390 HydrophobicContact CD2-CG2 3.73Å; Y365-T390 HydrophobicContact CE2-CG2 3.8Å
391	Q	89.4	Confident	94.9	Very high	39 Å²	39	81.3 Å²	81.3	18%	0.182	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-77	129.4	174.3	-68.3	-173.2	-27.1	0	0	108.7	Y88 D91	Y88-Q391 VanDerWaalsContact CE1-NE2 3.3Å; D91-Q391 PolarHBondContact OD1-NE2 2.92Å
392	E	91.2	Very high	95.1	Very high	124 Å²	124	78.2 Å²	78.2	58%	0.579	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-76.6	135.3	177.2	-68.6	176.2	164.5	0	0	110.5	K576	E392-K576 HydrophobicContact CB-CD 4.16Å; E392-K576 WeakPolarHBondContact OE2-CE 3.42Å; E392-K576 IonicContact OE2-NZ 3.3Å; E392-K576 PolarHBondContact OE2-NZ 3.06Å
393	R	95.2	Very high	95.3	Very high	73 Å²	73	74.5 Å²	74.5	28%	0.275	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-103.8	159.4	169.1	-64.6	-172.1	-71.5	-135.3	-16.6	111.4	D364 D577 S639	D364-R393 IonicContact OD1-CZ 3.67Å; D364-R393 IonicContact OD1-NH1 3.45Å; D364-R393 IonicContact OD1-NH2 3.67Å; D364-R393 IonicContact OD2-CZ 2.75Å; D364-R393 IonicContact OD2-NH1 2.71Å; D364-R393 PolarHBondContact OD2-NH1 3.09Å; D364-R393 IonicContact OD2-NH2 2.68Å; D364-R393 PolarHBondContact OD2-NH2 3.23Å; R393-D577 CarbonylContact C-O 3.42Å; R393-D577 VanDerWaalsContact CA-O 3.23Å; R393-D577 WeakPolarHBondContact CA-O 3.34Å; R393-D577 HydrophobicContact CG-CB 3.83Å; R393-S639 WeakPolarHBondContact CB-O 3.32Å; R393-S639 WeakPolarHBondContact CD-O 3.42Å; R393-S639 PolarHBondContact NE-O 2.78Å
394	R	95.9	Very high	95.3	Very high	79 Å²	79	69.4 Å²	69.4	30%	0.298	37%	0.366	S	S	.	.			trans	-137.6	138.9	179.4	-173.5	172.9	-68.5	-177.4	6.6	112.1	Y396 S573 K576 D577 T578	R394-Y396 HydrophobicContact CB-CD2 4.41Å; R394-Y396 HydrophobicContact CB-CE2 4Å; R394-Y396 HydrophobicContact CG-CD1 4.41Å; R394-Y396 HydrophobicContact CG-CD2 4.45Å; R394-Y396 HydrophobicContact CG-CE1 4.29Å; R394-Y396 HydrophobicContact CG-CE2 4.35Å; R394-Y396 HydrophobicContact CG-CG 4.48Å; R394-S573 VanDerWaalsContact CZ-OG 3.31Å; R394-S573 PolarHBondContact NH1-OG 2.89Å; R394-S573 PolarHBondContact NH2-OG 3.38Å; R394-K576 HydrophobicContact CB-CB 4.03Å; R394-D577 PolarHBondContact N-O 3.01Å; R394-T578 WeakPolarHBondContact O-CB 3.49Å; R394-T578 PolarHBondContact O-OG1 3.21Å
395	A	97.5	Very high	95.3	Very high	57 Å²	57	68.3 Å²	68.3	47%	0.471	36%	0.36	S	S	.	.			trans	-83.8	112	159.7	0	0	0	0	0	108.3	F637	A395-F637 WeakPolarHBondContact CA-O 3.09Å; A395-F637 WeakPolarHBondContact CB-O 3.32Å
396	Y	97.5	Very high	95.3	Very high	18 Å²	18	65.9 Å²	65.9	7%	0.071	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-85.3	168.5	174.3	-68.1	-83.2	0	0	0	111	R394 S398 L569 V571 K576 T578 L616 F637	R394-Y396 HydrophobicContact CB-CD2 4.41Å; R394-Y396 HydrophobicContact CB-CE2 4Å; R394-Y396 HydrophobicContact CG-CD1 4.41Å; R394-Y396 HydrophobicContact CG-CD2 4.45Å; R394-Y396 HydrophobicContact CG-CE1 4.29Å; R394-Y396 HydrophobicContact CG-CE2 4.35Å; R394-Y396 HydrophobicContact CG-CG 4.48Å; Y396-S398 PolarHBondContact O-N 3.25Å; Y396-L569 HydrophobicContact CG-CD1 4.25Å; Y396-V571 HydrophobicContact CD1-CG2 4.2Å; Y396-V571 HydrophobicContact CE1-CB 4.28Å; Y396-V571 HydrophobicContact CE1-CG1 3.87Å; Y396-V571 HydrophobicContact CE1-CG2 3.85Å; Y396-K576 PolarHBondContact OH-N 3.27Å; Y396-K576 PolarHBondContact OH-O 3.4Å; Y396-T578 HydrophobicContact CD2-CG2 3.82Å; Y396-T578 HydrophobicContact CE2-CG2 3.95Å; Y396-L616 HydrophobicContact CE2-CD1 4.13Å; Y396-F637 PolarHBondContact N-O 2.86Å
397	Q	96.4	Very high	95.2	Very high	169 Å²	169	57.4 Å²	57.4	79%	0.79	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-61.2	140.4	171.7	-69.5	-172.7	-5.7	0	0	110.1
398	S	96.7	Very high	95.1	Very high	49 Å²	49	55 Å²	55	34%	0.343	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-58.9	143.1	175.2	-53.8	0	0	0	0	111	Y396 K634 L635	Y396-S398 PolarHBondContact O-N 3.25Å; S398-K634 WeakPolarHBondContact OG-CE 3.44Å; S398-L635 CarbonylContact C-O 3.6Å; S398-L635 WeakPolarHBondContact CA-O 3.39Å; S398-L635 VanDerWaalsContact CB-O 3.24Å; S398-L635 WeakPolarHBondContact CB-O 3.22Å
399	V	97.1	Very high	95	Very high	4 Å²	4	57 Å²	57	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.2	175.3	172.1	0	0	0	0	108.6	K568 L569 V623 K634 L635 F637	V399-K568 WeakPolarHBondContact CG2-O 3.42Å; V399-L569 HydrophobicContact CG2-CB 3.67Å; V399-L569 HydrophobicContact CG2-CD1 4.02Å; V399-L569 HydrophobicContact CG2-CG 4.48Å; V399-V623 HydrophobicContact CG2-CG2 4.34Å; V399-K634 CarbonylContact O-C 3.52Å; V399-K634 WeakPolarHBondContact O-CA 3.43Å; V399-L635 HydrophobicContact CB-CB 4.27Å; V399-L635 PolarHBondContact N-O 3.3Å; V399-L635 PolarHBondContact O-N 3.46Å; V399-F637 HydrophobicContact CB-CE2 4.08Å; V399-F637 HydrophobicContact CG2-CD2 4.16Å; V399-F637 HydrophobicContact CG2-CE2 3.49Å; V399-F637 VanDerWaalsContact CG2-CE2 3.49Å; V399-F637 HydrophobicContact CG2-CZ 4.3Å
400	V	96.4	Very high	95	Very high	98 Å²	98	51.5 Å²	51.5	59%	0.594	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	167.6	-179.4	0	0	0	0	107.5	Q402	V400-Q402 PolarHBondContact O-N 2.72Å
401	V	95.4	Very high	95	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.4	174.9	179.9	0	0	0	0	108.5	M555 F565 W585 G633 L635	V401-M555 HydrophobicContact CB-CG 4.32Å; V401-M555 HydrophobicContact CG1-CE 4.4Å; V401-M555 HydrophobicContact CG1-CG 3.82Å; V401-M555 HydrophobicContact CG1-SD 3.77Å; V401-M555 WeakPolarHBondContact O-CG 3.36Å; V401-F565 HydrophobicContact CG1-CB 3.79Å; V401-F565 HydrophobicContact CG1-CD1 3.9Å; V401-F565 HydrophobicContact CG1-CG 4.33Å; V401-W585 HydrophobicContact CG2-CH2 4.09Å; V401-W585 HydrophobicContact CG2-CZ2 3.88Å; V401-G633 PolarHBondContact N-O 3.42Å; V401-L635 HydrophobicContact CG2-CG 4.49Å
402	Q	93.6	Very high	94.9	Very high	101 Å²	101	54 Å²	54	47%	0.472	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-39	-173.4	-62.2	179.9	-39.4	0	0	111.5	V400 M555 Q566	V400-Q402 PolarHBondContact O-N 2.72Å; Q402-M555 PolarHBondContact O-N 3.23Å; Q402-M555 VanDerWaalsContact O-N 3.16Å; Q402-Q566 PolarHBondContact N-O 2.89Å
403	Q	95.4	Very high	94.7	Very high	70 Å²	70	49.8 Å²	49.8	33%	0.327	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157	-171.7	-63.1	176.5	-33.3	0	0	110.6	W552 V553 Q566	Q403-W552 HydrophobicContact CB-CB 4.15Å; Q403-W552 HydrophobicContact CB-CD2 4.49Å; Q403-W552 HydrophobicContact CB-CE3 3.86Å; Q403-V553 CarbonylContact C-O 3.49Å; Q403-V553 WeakPolarHBondContact CA-O 3.28Å; Q403-V553 WeakPolarHBondContact CB-O 3.32Å; Q403-Q566 PolarHBondContact N-O 2.77Å; Q403-Q566 PolarHBondContact O-N 3.4Å
404	H	96.1	Very high	94.2	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159	172.7	70.6	87.1	0	0	0	111.3	W552 V553 M555 Q557 P559 F564 F565	H404-W552 VanDerWaalsContact C-CE3 3.43Å; H404-V553 PolarHBondContact CD2-O 2.82Å; H404-V553 PolarHBondContact N-O 2.86Å; H404-V553 PolarHBondContact O-N 2.66Å; H404-M555 HydrophobicContact CB-SD 4Å; H404-Q557 PolarHBondContact NE2-O 3.12Å; H404-P559 HydrophobicContact CB-CB 4.33Å; H404-F564 CarbonylContact C-O 3.55Å; H404-F564 WeakPolarHBondContact CA-O 3.27Å; H404-F565 HydrophobicContact CB-CD1 3.68Å; H404-F565 HydrophobicContact CB-CE1 3.69Å; H404-F565 HydrophobicContact CB-CG 4.48Å; H404-F565 HydrophobicContact CB-CZ 4.45Å
405	L	95.8	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	118.6	177.1	173.8	68.3	0	0	0	107.5	D409 L546 T549 S551 W552 A563 F564	L405-D409 HydrophobicContact CD1-CB 3.67Å; L405-L546 HydrophobicContact CD2-CD2 3.95Å; L405-T549 HydrophobicContact CD1-CG2 4.34Å; L405-T549 HydrophobicContact CD2-CG2 3.76Å; L405-S551 WeakPolarHBondContact CD1-O 3.48Å; L405-W552 HydrophobicContact CB-CD2 3.93Å; L405-W552 HydrophobicContact CB-CE3 3.72Å; L405-W552 HydrophobicContact CB-CH2 4.08Å; L405-W552 HydrophobicContact CB-CZ2 4.27Å; L405-W552 HydrophobicContact CB-CZ3 3.81Å; L405-W552 HydrophobicContact CD2-CZ2 4.22Å; L405-A563 CarbonylContact O-C 3.46Å; L405-A563 VanDerWaalsContact O-CA 3.3Å; L405-A563 WeakPolarHBondContact O-CA 3.43Å; L405-A563 WeakPolarHBondContact O-CB 3.41Å; L405-F564 HydrophobicContact CB-CB 4.36Å; L405-F564 PolarHBondContact N-O 2.8Å; L405-F564 PolarHBondContact O-N 2.93Å
406	S	95.8	Very high	93.3	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	152.1	178.8	82.8	0	0	0	0	110.5	W408 D409 S410	S406-W408 PolarHBondContact O-N 3.01Å; S406-D409 PolarHBondContact O-N 3.28Å; S406-D409 PolarHBondContact OG-N 2.82Å; S406-D409 VanDerWaalsContact OG-N 3.13Å; S406-D409 PolarHBondContact OG-OD2 3.23Å; S406-S410 PolarHBondContact O-N 3.07Å; S406-S410 VanDerWaalsContact O-N 3.07Å
407	L	96	Very high	93.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-53.8	-41.4	174.1	167.3	66.5	0	0	0	111.7	D409 S410 L411 L497 L536 P562 F626	L407-D409 PolarHBondContact O-N 3.25Å; L407-S410 PolarHBondContact O-N 3.16Å; L407-S410 VanDerWaalsContact O-N 3.15Å; L407-S410 PolarHBondContact O-OG 2.97Å; L407-L411 HydrophobicContact CD1-CD2 4.31Å; L407-L411 WeakPolarHBondContact O-CG 3.44Å; L407-L411 PolarHBondContact O-N 3.1Å; L407-L497 HydrophobicContact CD2-CD1 3.93Å; L407-L497 HydrophobicContact CD2-CD2 3.7Å; L407-L497 HydrophobicContact CD2-CG 4.36Å; L407-L536 HydrophobicContact CD1-CD1 3.66Å; L407-L536 HydrophobicContact CD1-CD2 4.06Å; L407-P562 HydrophobicContact CB-CB 4.39Å; L407-P562 VanDerWaalsContact CB-O 3.29Å; L407-P562 WeakPolarHBondContact CB-O 3.28Å; L407-P562 HydrophobicContact CD2-CG 4.49Å; L407-P562 PolarHBondContact N-O 3.49Å; L407-F626 HydrophobicContact CD1-CE2 4.36Å
408	W	95	Very high	93	Very high	15 Å²	15	53.9 Å²	53.9	6%	0.057	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-37.8	-176.6	-63.9	-100.1	0	0	0	112.1	S406 S410 L411 F467 K470 F561	S406-W408 PolarHBondContact O-N 3.01Å; W408-S410 VanDerWaalsContact C-N 3.28Å; W408-L411 WeakPolarHBondContact O-CB 3.44Å; W408-L411 PolarHBondContact O-N 2.69Å; W408-F467 HydrophobicContact CH2-CD1 4.03Å; W408-F467 AromaticContact CH2-CE1 3.83Å; W408-F467 HydrophobicContact CH2-CE1 3.83Å; W408-F467 HydrophobicContact CH2-CZ 4.15Å; W408-F467 AromaticContact CZ2-CD1 3.98Å; W408-F467 HydrophobicContact CZ2-CD1 3.98Å; W408-F467 HydrophobicContact CZ2-CD2 4.34Å; W408-F467 HydrophobicContact CZ2-CE1 4.2Å; W408-F467 HydrophobicContact CZ2-CG 4.09Å; W408-F467 HydrophobicContact CZ2-CZ 4.49Å; W408-K470 HydrophobicContact CB-CD 4.24Å; W408-K470 VanDerWaalsContact CD1-CD 3.48Å; W408-K470 VanDerWaalsContact CD1-CE 3.5Å; W408-K470 HydrophobicContact CD2-CB 4.41Å; W408-K470 HydrophobicContact CD2-CD 4.28Å; W408-K470 HydrophobicContact CD2-CG 4.43Å; W408-K470 HydrophobicContact CG-CD 3.7Å; W408-K470 HydrophobicContact CG-CG 4.18Å; W408-K470 HydrophobicContact CZ2-CB 4.3Å; W408-F561 WeakPolarHBondContact CH2-O 3.15Å; W408-F561 WeakPolarHBondContact CZ3-O 3.22Å
409	D	93.7	Very high	93	Very high	65 Å²	65	59.2 Å²	59.2	35%	0.348	29%	0.291	S	S	.	.	H	α-helix	trans	-73.7	-23.6	175.7	-59.2	-42.4	0	0	0	111.8	L405 S406 L407 H412	L405-D409 HydrophobicContact CD1-CB 3.67Å; S406-D409 PolarHBondContact O-N 3.28Å; S406-D409 PolarHBondContact OG-N 2.82Å; S406-D409 VanDerWaalsContact OG-N 3.13Å; S406-D409 PolarHBondContact OG-OD2 3.23Å; L407-D409 PolarHBondContact O-N 3.25Å; D409-H412 PolarHBondContact O-CD2 3.38Å
410	S	93.8	Very high	93	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-79.2	-17.3	175.4	85.8	0	0	0	0	113.4	S406 L407 W408 H412 S413 F564	S406-S410 PolarHBondContact O-N 3.07Å; S406-S410 VanDerWaalsContact O-N 3.07Å; L407-S410 PolarHBondContact O-N 3.16Å; L407-S410 VanDerWaalsContact O-N 3.15Å; L407-S410 PolarHBondContact O-OG 2.97Å; W408-S410 VanDerWaalsContact C-N 3.28Å; S410-H412 PolarHBondContact O-N 3.47Å; S410-H412 VanDerWaalsContact O-N 3.1Å; S410-S413 WeakPolarHBondContact O-CB 3.45Å; S410-S413 PolarHBondContact O-N 2.91Å; S410-F564 WeakPolarHBondContact OG-CE2 3.41Å
411	L	91.9	Very high	93.1	Very high	23 Å²	23	61.9 Å²	61.9	12%	0.12	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.3	-24.8	179	-62.5	-178.9	0	0	0	112.9	L407 W408 S413 T414 L443 H534 L536	L407-L411 HydrophobicContact CD1-CD2 4.31Å; L407-L411 WeakPolarHBondContact O-CG 3.44Å; L407-L411 PolarHBondContact O-N 3.1Å; W408-L411 WeakPolarHBondContact O-CB 3.44Å; W408-L411 PolarHBondContact O-N 2.69Å; L411-S413 PolarHBondContact O-N 3.42Å; L411-T414 HydrophobicContact CD2-CG2 4.43Å; L411-T414 WeakPolarHBondContact O-CB 3.41Å; L411-T414 PolarHBondContact O-N 3.08Å; L411-T414 VanDerWaalsContact O-N 3.08Å; L411-T414 PolarHBondContact O-OG1 3.29Å; L411-L443 HydrophobicContact CD1-CD2 3.87Å; L411-L443 HydrophobicContact CD2-CD2 4.36Å; L411-H534 HydrophobicContact CD2-CB 4.13Å; L411-L536 HydrophobicContact CD2-CD2 4.09Å
412	H	86.7	Confident	93.2	Very high	160 Å²	160	69.1 Å²	69.1	74%	0.741	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.5	173.6	-63.9	-63.6	0	0	0	113.7	D409 S410	D409-H412 PolarHBondContact O-CD2 3.38Å; S410-H412 PolarHBondContact O-N 3.47Å; S410-H412 VanDerWaalsContact O-N 3.1Å
413	S	86.1	Confident	93.3	Very high	37 Å²	37	65.1 Å²	65.1	26%	0.259	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-89.6	-3.2	176.6	-59.4	0	0	0	0	113.1	S410 L411 S545	S410-S413 WeakPolarHBondContact O-CB 3.45Å; S410-S413 PolarHBondContact O-N 2.91Å; L411-S413 PolarHBondContact O-N 3.42Å; S413-S545 WeakPolarHBondContact CB-OG 3.36Å
414	T	85.5	Confident	93.4	Very high	23 Å²	23	63.5 Å²	63.5	14%	0.141	30%	0.302	C	S	.	.	S	Bend	trans	-87	164.3	175.9	67.1	0	0	0	0	111.2	L411 L536 F542	L411-T414 HydrophobicContact CD2-CG2 4.43Å; L411-T414 WeakPolarHBondContact O-CB 3.41Å; L411-T414 PolarHBondContact O-N 3.08Å; L411-T414 VanDerWaalsContact O-N 3.08Å; L411-T414 PolarHBondContact O-OG1 3.29Å; T414-L536 HydrophobicContact CG2-CD2 3.62Å; T414-F542 HydrophobicContact CG2-CD2 4.07Å; T414-F542 HydrophobicContact CG2-CE2 3.53Å; T414-F542 HydrophobicContact CG2-CZ 4.31Å
415	E	85.1	Confident	93.5	Very high	120 Å²	120	63.9 Å²	63.9	56%	0.561	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-57.6	158.9	165.2	-65.1	-172.4	170.4	0	0	110.7
416	K	88.9	Confident	93.6	Very high	199 Å²	199	63.9 Å²	63.9	87%	0.865	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.4	-179.2	-71.2	-177.2	179.7	177.3	0	110.4
417	P	93.5	Very high	93.7	Very high	61 Å²	61	63.4 Å²	63.4	40%	0.396	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-63.7	148.9	178.5	24.3	-32.3	0	0	0	111.9	I532 I533 H534	P417-I532 HydrophobicContact CB-CG2 3.61Å; P417-I532 HydrophobicContact CG-CG2 4.17Å; P417-I533 WeakPolarHBondContact CA-O 3.4Å; P417-H534 VanDerWaalsContact CB-CE1 3.46Å; P417-H534 WeakPolarHBondContact CB-CE1 3.39Å
418	F	93.8	Very high	93.8	Very high	79 Å²	79	65.2 Å²	65.2	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.2	175.2	-175	-104.7	0	0	0	110.8	I424 P430 I532 I533	F418-I424 HydrophobicContact CD1-CD1 4.04Å; F418-I424 HydrophobicContact CE1-CD1 3.41Å; F418-I424 VanDerWaalsContact CE1-CD1 3.41Å; F418-I424 HydrophobicContact CZ-CD1 4.29Å; F418-P430 HydrophobicContact CD2-CG 3.56Å; F418-P430 HydrophobicContact CE2-CG 3.79Å; F418-P430 HydrophobicContact CG-CG 4Å; F418-P430 HydrophobicContact CZ-CG 4.39Å; F418-I532 CarbonylContact O-C 3.53Å; F418-I532 WeakPolarHBondContact O-CA 3.34Å; F418-I533 HydrophobicContact CD1-CD1 4.44Å; F418-I533 PolarHBondContact N-O 3.15Å; F418-I533 PolarHBondContact O-N 2.72Å
419	K	97.2	Very high	93.8	Very high	160 Å²	160	64.7 Å²	64.7	70%	0.696	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.4	174.7	-67	-173.7	177.8	-176.4	0	110	F531 I532	K419-F531 CarbonylContact C-O 3.53Å; K419-F531 WeakPolarHBondContact CA-O 3.47Å; K419-I532 HydrophobicContact CG-CG1 4.41Å
420	S	97.8	Very high	93.9	Very high	23 Å²	23	64.6 Å²	64.6	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.2	-178	-170	0	0	0	0	111.8	R422 G530 F531	S420-R422 VanDerWaalsContact C-N 3.25Å; S420-R422 WeakPolarHBondContact CB-O 3.32Å; S420-R422 PolarHBondContact O-N 2.92Å; S420-R422 PolarHBondContact OG-N 2.76Å; S420-R422 PolarHBondContact OG-O 2.95Å; S420-G530 CarbonylContact O-C 3.45Å; S420-F531 PolarHBondContact N-O 3.33Å; S420-F531 PolarHBondContact O-N 3.43Å
421	E	97.9	Very high	93.8	Very high	135 Å²	135	65.4 Å²	65.4	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	-67.3	-28.6	172.9	-74.4	-55.3	134.8	0	0	112.9	R529 G530	E421-R529 VanDerWaalsContact O-CA 3.28Å; E421-R529 WeakPolarHBondContact O-CA 3.19Å; E421-R529 WeakPolarHBondContact O-CD 3.31Å; E421-G530 PolarHBondContact O-N 2.86Å
422	R	97.5	Very high	93.7	Very high	158 Å²	158	65 Å²	65	60%	0.596	32%	0.315	S	S	*	.	S	Bend	trans	-122.9	156.2	179	-67.2	-177.5	176.9	164	-1.5	110.7	S420	S420-R422 VanDerWaalsContact C-N 3.25Å; S420-R422 WeakPolarHBondContact CB-O 3.32Å; S420-R422 PolarHBondContact O-N 2.92Å; S420-R422 PolarHBondContact OG-N 2.76Å; S420-R422 PolarHBondContact OG-O 2.95Å
423	P	96.8	Very high	93.9	Very high	18 Å²	18	64 Å²	64	12%	0.117	32%	0.315	C	S	.	.			trans	-55.7	144.6	169.8	-21.5	33.2	0	0	0	111.4	L517 G519 F531	P423-L517 HydrophobicContact CB-CB 3.61Å; P423-L517 HydrophobicContact CB-CD1 3.98Å; P423-L517 HydrophobicContact CB-CG 4.46Å; P423-L517 HydrophobicContact CG-CB 4.48Å; P423-L517 HydrophobicContact CG-CD1 4.22Å; P423-G519 WeakPolarHBondContact CG-O 3.42Å; P423-F531 HydrophobicContact CG-CD2 4.02Å; P423-F531 HydrophobicContact CG-CE2 3.57Å; P423-F531 HydrophobicContact CG-CZ 3.86Å
424	I	97.4	Very high	94.1	Very high	35 Å²	35	66.9 Å²	66.9	18%	0.179	33%	0.327	C	S	.	.			trans	-123.1	125.9	173.7	-58.9	-174.4	0	0	0	107.8	F418 N428 L429 Y444 I533	F418-I424 HydrophobicContact CD1-CD1 4.04Å; F418-I424 HydrophobicContact CE1-CD1 3.41Å; F418-I424 VanDerWaalsContact CE1-CD1 3.41Å; F418-I424 HydrophobicContact CZ-CD1 4.29Å; I424-N428 HydrophobicContact CG2-CB 3.77Å; I424-L429 HydrophobicContact CB-CD2 4.03Å; I424-L429 HydrophobicContact CG2-CD2 3.94Å; I424-Y444 WeakPolarHBondContact O-CE1 3.29Å; I424-Y444 PolarHBondContact O-OH 2.82Å; I424-I533 HydrophobicContact CB-CD1 4.12Å; I424-I533 HydrophobicContact CG1-CD1 4.37Å
425	N	97.9	Very high	94.5	Very high	20 Å²	20	66.7 Å²	66.7	11%	0.107	33%	0.326	C	S	.	.			trans	-65.2	159.2	175.4	59.9	46.8	0	0	0	111.8	E427 N428 L429 R514 K515 L517 V518	N425-E427 VanDerWaalsContact C-N 3.28Å; N425-E427 PolarHBondContact O-N 2.68Å; N425-N428 PolarHBondContact ND2-ND2 3.2Å; N425-N428 PolarHBondContact O-N 2.85Å; N425-N428 VanDerWaalsContact O-N 3.08Å; N425-N428 VanDerWaalsContact OD1-CB 3.32Å; N425-N428 WeakPolarHBondContact OD1-CB 3.12Å; N425-N428 PolarHBondContact OD1-N 3.14Å; N425-N428 VanDerWaalsContact OD1-N 3.12Å; N425-N428 PolarHBondContact OD1-ND2 2.78Å; N425-L429 PolarHBondContact O-N 3.05Å; N425-R514 HydrophobicContact CB-CB 4.33Å; N425-R514 WeakPolarHBondContact ND2-CD 3.38Å; N425-K515 CarbonylContact C-O 3.53Å; N425-K515 WeakPolarHBondContact CA-O 3.5Å; N425-K515 WeakPolarHBondContact CB-O 3.43Å; N425-L517 WeakPolarHBondContact CA-O 3.43Å; N425-L517 PolarHBondContact N-O 2.72Å; N425-V518 HydrophobicContact CB-CG1 4.15Å
426	M	97.6	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-53.3	-44.3	-173.2	-70.5	174.5	65.7	0	0	112.5	N428 L429 Q437 Y439 T442 N500 K515	M426-N428 VanDerWaalsContact C-N 3.28Å; M426-N428 PolarHBondContact O-N 3.1Å; M426-L429 PolarHBondContact O-N 3.03Å; M426-Q437 CarbonylContact C-O 3.52Å; M426-Q437 HydrophobicContact CB-CB 4.18Å; M426-Q437 WeakPolarHBondContact CB-O 3.04Å; M426-Q437 HydrophobicContact CE-CG 3.74Å; M426-Q437 PolarHBondContact O-N 2.82Å; M426-Y439 WeakPolarHBondContact CE-O 3.48Å; M426-T442 VanDerWaalsContact CG-OG1 3.27Å; M426-T442 WeakPolarHBondContact CG-OG1 3.34Å; M426-N500 HydrophobicContact CE-CB 3.76Å; M426-N500 HydrophobicContact SD-CB 3.79Å; M426-K515 HydrophobicContact CB-CB 4.37Å; M426-K515 HydrophobicContact CG-CB 4.27Å; M426-K515 WeakPolarHBondContact CG-O 3.29Å; M426-K515 PolarHBondContact N-O 2.9Å; M426-K515 HydrophobicContact SD-CB 3.44Å; M426-K515 WeakPolarHBondContact SD-CB 3.44Å
427	E	97.9	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.8	-30.7	-176.2	-61.7	78.6	-167.3	0	0	112.2	L164 R165 N425 G436 R503 R514 K515	L164-E427 HydrophobicContact CB-CB 4.42Å; L164-E427 HydrophobicContact CB-CG 4.12Å; R165-E427 WeakPolarHBondContact CD-O 3.3Å; R165-E427 HydrophobicContact CG-CB 4.36Å; R165-E427 WeakPolarHBondContact CG-O 3.46Å; R165-E427 PolarHBondContact NH1-O 2.92Å; N425-E427 VanDerWaalsContact C-N 3.28Å; N425-E427 PolarHBondContact O-N 2.68Å; E427-G436 VanDerWaalsContact O-CA 3.31Å; E427-G436 WeakPolarHBondContact O-CA 3.09Å; E427-R503 IonicContact OE1-CZ 2.84Å; E427-R503 IonicContact OE1-NE 3.3Å; E427-R503 PolarHBondContact OE1-NE 3.25Å; E427-R503 IonicContact OE1-NH2 3.5Å; E427-R503 PolarHBondContact OE1-NH2 3.41Å; E427-R514 VanDerWaalsContact OE2-CA 3.24Å; E427-R514 WeakPolarHBondContact OE2-CA 3.26Å; E427-R514 WeakPolarHBondContact OE2-CB 3.38Å; E427-K515 PolarHBondContact OE1-N 2.84Å; E427-K515 VanDerWaalsContact OE1-N 3.09Å; E427-K515 PolarHBondContact OE2-N 2.62Å
428	N	97.1	Very high	95.6	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-93.6	2.1	-179.3	-72.1	-64.7	0	0	0	114.2	R165 I424 N425 M426	R165-N428 PolarHBondContact O-OD1 3.33Å; I424-N428 HydrophobicContact CG2-CB 3.77Å; N425-N428 PolarHBondContact ND2-ND2 3.2Å; N425-N428 PolarHBondContact O-N 2.85Å; N425-N428 VanDerWaalsContact O-N 3.08Å; N425-N428 VanDerWaalsContact OD1-CB 3.32Å; N425-N428 WeakPolarHBondContact OD1-CB 3.12Å; N425-N428 PolarHBondContact OD1-N 3.14Å; N425-N428 VanDerWaalsContact OD1-N 3.12Å; N425-N428 PolarHBondContact OD1-ND2 2.78Å; M426-N428 VanDerWaalsContact C-N 3.28Å; M426-N428 PolarHBondContact O-N 3.1Å
429	L	96.7	Very high	95.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-60.8	143.4	173.1	-66.7	176.4	0	0	0	110.7	R165 I424 N425 M426 V431 G436 Q437 T442 I533	R165-L429 PolarHBondContact NH1-O 3.39Å; R165-L429 VanDerWaalsContact NH1-O 3.07Å; I424-L429 HydrophobicContact CB-CD2 4.03Å; I424-L429 HydrophobicContact CG2-CD2 3.94Å; N425-L429 PolarHBondContact O-N 3.05Å; M426-L429 PolarHBondContact O-N 3.03Å; L429-V431 HydrophobicContact CB-CG1 4.47Å; L429-V431 HydrophobicContact CB-CG2 3.93Å; L429-V431 PolarHBondContact O-N 3.35Å; L429-G436 VanDerWaalsContact O-CA 3.26Å; L429-G436 WeakPolarHBondContact O-CA 3.4Å; L429-Q437 HydrophobicContact CD1-CB 4.11Å; L429-T442 HydrophobicContact CD1-CG2 4.07Å; L429-I533 HydrophobicContact CD1-CG2 4.45Å; L429-I533 HydrophobicContact CD2-CD1 4.34Å; L429-I533 HydrophobicContact CD2-CG2 3.86Å
430	P	94.7	Very high	95.8	Very high	63 Å²	63	39.8 Å²	39.8	41%	0.409	20%	0.202	S	C	.	.	S	Bend	trans	-83.8	49.3	178.3	35.4	-35.9	0	0	0	111.5	F418	F418-P430 HydrophobicContact CD2-CG 3.56Å; F418-P430 HydrophobicContact CE2-CG 3.79Å; F418-P430 HydrophobicContact CG-CG 4Å; F418-P430 HydrophobicContact CZ-CG 4.39Å
431	V	92.3	Very high	95.8	Very high	17 Å²	17	38.8 Å²	38.8	10%	0.103	19%	0.194	C	C	.	.			trans	-114	170.2	178.5	-60.9	0	0	0	0	110.3	L429 N433 N434 N435 G436 Q437	L429-V431 HydrophobicContact CB-CG1 4.47Å; L429-V431 HydrophobicContact CB-CG2 3.93Å; L429-V431 PolarHBondContact O-N 3.35Å; V431-N433 PolarHBondContact O-N 2.79Å; V431-N434 WeakPolarHBondContact O-CA 3.24Å; V431-N434 PolarHBondContact O-N 2.82Å; V431-N435 PolarHBondContact O-N 3.38Å; V431-G436 PolarHBondContact O-N 3.03Å; V431-G436 VanDerWaalsContact O-N 3.11Å; V431-Q437 HydrophobicContact CG2-CB 4.03Å
432	N	90.3	Very high	95.8	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.08	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	55.4	176.3	-60.4	-42.6	0	0	0	112.3	N434 N435 G436 D537 K539	N432-N434 PolarHBondContact O-N 2.96Å; N432-N435 VanDerWaalsContact O-CB 3.27Å; N432-N435 WeakPolarHBondContact O-CB 3.32Å; N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 PolarHBondContact O-ND2 3.26Å; N432-G436 WeakPolarHBondContact CB-O 3.46Å; N432-G436 PolarHBondContact ND2-O 2.97Å; N432-D537 PolarHBondContact ND2-OD2 3.28Å; N432-D537 PolarHBondContact OD1-OD2 3.4Å; N432-K539 PolarHBondContact OD1-NZ 2.83Å
433	N	89.5	Confident	95.9	Very high	137 Å²	137	24.8 Å²	24.8	73%	0.733	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	36.2	-176.1	-54.3	-48.5	0	0	0	113.4	E116 V431 N435	E116-N433 PolarHBondContact OE2-ND2 2.8Å; V431-N433 PolarHBondContact O-N 2.79Å; N433-N435 VanDerWaalsContact C-N 3.29Å; N433-N435 PolarHBondContact O-N 3.4Å
434	N	91.3	Very high	96	Very high	98 Å²	98	24 Å²	24	52%	0.524	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	26.7	-176.8	-159.8	42.4	0	0	0	114.2	R165 V431 N432	R165-N434 PolarHBondContact NE-O 2.82Å; R165-N434 PolarHBondContact NH1-O 3.17Å; R165-N434 VanDerWaalsContact NH2-CG 3.28Å; R165-N434 PolarHBondContact NH2-O 2.88Å; R165-N434 PolarHBondContact NH2-OD1 3.35Å; V431-N434 WeakPolarHBondContact O-CA 3.24Å; V431-N434 PolarHBondContact O-N 2.82Å; N432-N434 PolarHBondContact O-N 2.96Å
435	N	93.7	Very high	96	Very high	20 Å²	20	23.7 Å²	23.7	11%	0.107	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.4	169.1	-70.2	-81.6	0	0	0	113.1	E116 R117 W162 V431 N432 N433	E116-N435 HydrophobicContact CB-CB 4.38Å; E116-N435 HydrophobicContact CG-CB 4.09Å; R117-N435 WeakPolarHBondContact CB-OD1 3.3Å; R117-N435 PolarHBondContact N-OD1 2.93Å; W162-N435 HydrophobicContact CB-CB 4.46Å; V431-N435 PolarHBondContact O-N 3.38Å; N432-N435 VanDerWaalsContact O-CB 3.27Å; N432-N435 WeakPolarHBondContact O-CB 3.32Å; N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 PolarHBondContact O-ND2 3.26Å; N433-N435 VanDerWaalsContact C-N 3.29Å; N433-N435 PolarHBondContact O-N 3.4Å
436	G	95.6	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.			trans	81.5	-179.2	-177.7	0	0	0	0	0	113.3	E427 L429 V431 N432	E427-G436 VanDerWaalsContact O-CA 3.31Å; E427-G436 WeakPolarHBondContact O-CA 3.09Å; L429-G436 VanDerWaalsContact O-CA 3.26Å; L429-G436 WeakPolarHBondContact O-CA 3.4Å; V431-G436 PolarHBondContact O-N 3.03Å; V431-G436 VanDerWaalsContact O-N 3.11Å; N432-G436 WeakPolarHBondContact CB-O 3.46Å; N432-G436 PolarHBondContact ND2-O 2.97Å
437	Q	97.1	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.			trans	-95.1	118.7	176.1	179	174.7	-7.6	0	0	109.8	M426 L429 V431 Y439 Y441 T442 S535 L536 D537	M426-Q437 CarbonylContact C-O 3.52Å; M426-Q437 HydrophobicContact CB-CB 4.18Å; M426-Q437 WeakPolarHBondContact CB-O 3.04Å; M426-Q437 HydrophobicContact CE-CG 3.74Å; M426-Q437 PolarHBondContact O-N 2.82Å; L429-Q437 HydrophobicContact CD1-CB 4.11Å; V431-Q437 HydrophobicContact CG2-CB 4.03Å; Q437-Y439 WeakPolarHBondContact CG-O 3.35Å; Q437-Y439 PolarHBondContact NE2-O 3.05Å; Q437-Y441 PolarHBondContact NE2-O 3.46Å; Q437-T442 PolarHBondContact OE1-OG1 3.04Å; Q437-T442 VanDerWaalsContact OE1-OG1 3.07Å; Q437-S535 PolarHBondContact OE1-OG 3.49Å; Q437-L536 PolarHBondContact NE2-O 3.42Å; Q437-D537 HydrophobicContact CG-CB 4.05Å
438	S	97	Very high	96.1	Very high	17 Å²	17	27.8 Å²	27.8	12%	0.119	15%	0.154	C	C	.	.			trans	-82.8	-38.6	-178.2	-49.9	0	0	0	0	112.7	S161 N500 R503	S161-S438 WeakPolarHBondContact OG-CA 3.46Å; S161-S438 WeakPolarHBondContact OG-CB 3.14Å; S161-S438 PolarHBondContact OG-OG 2.91Å; S438-N500 PolarHBondContact O-ND2 3.19Å; S438-R503 VanDerWaalsContact O-CZ 3.29Å; S438-R503 PolarHBondContact O-NH1 3.17Å; S438-R503 PolarHBondContact O-NH2 3.35Å
439	Y	97.7	Very high	96	Very high	36 Å²	36	30.6 Å²	30.6	14%	0.141	17%	0.173	C	C	.	.	S	Bend	trans	-141.2	176.5	-167.3	-47.7	-65.9	0	0	0	112.5	D155 F334 M335 M426 Q437 D537	D155-Y439 HydrophobicContact CB-CE1 4.31Å; D155-Y439 WeakPolarHBondContact OD2-CE1 3.3Å; F334-Y439 HydrophobicContact CB-CD1 4.2Å; F334-Y439 HydrophobicContact CB-CG 4.09Å; M335-Y439 HydrophobicContact CE-CD1 3.8Å; M335-Y439 HydrophobicContact CE-CD2 3.91Å; M335-Y439 HydrophobicContact CE-CE1 3.5Å; M335-Y439 HydrophobicContact CE-CE2 3.63Å; M335-Y439 HydrophobicContact CE-CG 4Å; M335-Y439 VanDerWaalsContact CE-CZ 3.42Å; M426-Y439 WeakPolarHBondContact CE-O 3.48Å; Q437-Y439 WeakPolarHBondContact CG-O 3.35Å; Q437-Y439 PolarHBondContact NE2-O 3.05Å; Y439-D537 WeakPolarHBondContact O-CA 3.22Å
440	G	97.3	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	83	-140.7	174.2	0	0	0	0	0	114	N500	G440-N500 PolarHBondContact O-N 2.89Å; G440-N500 VanDerWaalsContact O-N 3.11Å
441	Y	98.4	Very high	96	Very high	2 Å²	2	30 Å²	30	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.4	-172.7	-62.8	-103.7	0	0	0	111.4	Q437 L497 V498 E499 L536 M538 V589 F626 E628	Q437-Y441 PolarHBondContact NE2-O 3.46Å; Y441-L497 HydrophobicContact CD1-CD1 4.43Å; Y441-L497 HydrophobicContact CD1-CD2 4.25Å; Y441-L497 HydrophobicContact CD1-CG 4.1Å; Y441-V498 CarbonylContact C-O 3.58Å; Y441-V498 VanDerWaalsContact CA-O 3.26Å; Y441-V498 WeakPolarHBondContact CA-O 3.2Å; Y441-E499 HydrophobicContact CD1-CB 3.68Å; Y441-E499 HydrophobicContact CD1-CG 3.97Å; Y441-E499 HydrophobicContact CE1-CB 3.55Å; Y441-E499 HydrophobicContact CE1-CG 3.53Å; Y441-E499 HydrophobicContact CE2-CG 4.46Å; Y441-L536 PolarHBondContact N-O 2.88Å; Y441-L536 CarbonylContact O-C 3.57Å; Y441-L536 WeakPolarHBondContact O-CA 3.44Å; Y441-L536 VanDerWaalsContact O-CB 3.26Å; Y441-L536 WeakPolarHBondContact O-CB 3.24Å; Y441-L536 PolarHBondContact O-N 2.75Å; Y441-M538 HydrophobicContact CD2-CE 3.83Å; Y441-M538 HydrophobicContact CE2-CE 4.44Å; Y441-V589 HydrophobicContact CE2-CG2 4.25Å; Y441-F626 HydrophobicContact CD1-CE1 4.41Å; Y441-F626 HydrophobicContact CD2-CE1 4.11Å; Y441-F626 HydrophobicContact CE1-CE1 4.03Å; Y441-F626 AromaticContact CE2-CD1 3.94Å; Y441-F626 HydrophobicContact CE2-CD1 3.94Å; Y441-F626 AromaticContact CE2-CE1 3.74Å; Y441-F626 HydrophobicContact CE2-CE1 3.74Å; Y441-F626 HydrophobicContact CG-CE1 4.44Å; Y441-F626 AromaticContact CZ-CE1 3.69Å; Y441-E628 WeakPolarHBondContact CE1-OE1 3.19Å; Y441-E628 PolarHBondContact OH-OE1 2.9Å
442	T	98.4	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.5	172.1	-53.9	0	0	0	0	109.3	M426 L429 Q437 Y444 V498 I533 H534	M426-T442 VanDerWaalsContact CG-OG1 3.27Å; M426-T442 WeakPolarHBondContact CG-OG1 3.34Å; L429-T442 HydrophobicContact CD1-CG2 4.07Å; Q437-T442 PolarHBondContact OE1-OG1 3.04Å; Q437-T442 VanDerWaalsContact OE1-OG1 3.07Å; T442-Y444 HydrophobicContact CG2-CD2 3.99Å; T442-Y444 HydrophobicContact CG2-CE1 4.23Å; T442-Y444 HydrophobicContact CG2-CE2 3.39Å; T442-V498 PolarHBondContact N-O 3.49Å; T442-V498 PolarHBondContact O-N 3.33Å; T442-I533 HydrophobicContact CG2-CG2 3.5Å; T442-H534 WeakPolarHBondContact CA-O 3.41Å
443	L	98.6	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.4	176.3	175	66	0	0	0	109.3	L411 E445 L497 I533 H534 L536	L411-L443 HydrophobicContact CD1-CD2 3.87Å; L411-L443 HydrophobicContact CD2-CD2 4.36Å; L443-E445 HydrophobicContact CD1-CG 4.14Å; L443-E445 HydrophobicContact CD2-CG 4.15Å; L443-E445 HydrophobicContact CG-CG 3.91Å; L443-L497 HydrophobicContact CB-CD1 3.95Å; L443-L497 HydrophobicContact CD1-CB 4.2Å; L443-L497 HydrophobicContact CD1-CD1 4.5Å; L443-I533 CarbonylContact O-C 3.59Å; L443-I533 WeakPolarHBondContact O-CA 3.49Å; L443-H534 HydrophobicContact CB-CB 4.21Å; L443-H534 PolarHBondContact N-O 2.79Å; L443-H534 PolarHBondContact O-N 2.81Å; L443-L536 HydrophobicContact CB-CD1 4.36Å
444	Y	98.8	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.2	174.1	-61.2	-97.4	0	0	0	109.3	I424 T442 G495 L496 V498 L517 I533	I424-Y444 WeakPolarHBondContact O-CE1 3.29Å; I424-Y444 PolarHBondContact O-OH 2.82Å; T442-Y444 HydrophobicContact CG2-CD2 3.99Å; T442-Y444 HydrophobicContact CG2-CE1 4.23Å; T442-Y444 HydrophobicContact CG2-CE2 3.39Å; Y444-G495 CarbonylContact O-C 3.49Å; Y444-G495 WeakPolarHBondContact O-CA 3.29Å; Y444-L496 PolarHBondContact N-O 2.85Å; Y444-L496 PolarHBondContact O-N 2.86Å; Y444-V498 HydrophobicContact CD2-CB 4.49Å; Y444-V498 HydrophobicContact CD2-CG2 3.75Å; Y444-V498 HydrophobicContact CE2-CB 4.19Å; Y444-V498 HydrophobicContact CE2-CG2 3.79Å; Y444-L517 HydrophobicContact CD1-CB 4.45Å; Y444-L517 HydrophobicContact CD1-CD1 3.78Å; Y444-L517 HydrophobicContact CD1-CG 4.25Å; Y444-L517 HydrophobicContact CD2-CD1 3.87Å; Y444-L517 HydrophobicContact CD2-CG 3.85Å; Y444-L517 HydrophobicContact CE1-CB 4.03Å; Y444-L517 HydrophobicContact CE1-CD1 4.21Å; Y444-L517 HydrophobicContact CE1-CG 4.23Å; Y444-L517 HydrophobicContact CE2-CB 4.19Å; Y444-L517 HydrophobicContact CE2-CD1 4.28Å; Y444-L517 HydrophobicContact CE2-CG 3.81Å; Y444-L517 HydrophobicContact CG-CD1 3.59Å; Y444-L517 HydrophobicContact CG-CG 4.06Å; Y444-L517 PolarHBondContact OH-N 2.74Å; Y444-L517 VanDerWaalsContact OH-N 3.12Å; Y444-I533 HydrophobicContact CD1-CB 4.43Å; Y444-I533 HydrophobicContact CD1-CD1 3.9Å; Y444-I533 HydrophobicContact CD1-CG1 3.77Å; Y444-I533 HydrophobicContact CD1-CG2 3.91Å; Y444-I533 HydrophobicContact CE1-CD1 3.84Å; Y444-I533 HydrophobicContact CE1-CG1 4.13Å; Y444-I533 HydrophobicContact CE1-CG2 3.8Å; Y444-I533 HydrophobicContact CG-CG2 4.49Å
445	E	98.6	Very high	97.4	Very high	30 Å²	30	22.3 Å²	22.3	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.6	179.2	-63.8	-175.1	121.6	0	0	111	L443 T493 L494 F531 I532 H534	L443-E445 HydrophobicContact CD1-CG 4.14Å; L443-E445 HydrophobicContact CD2-CG 4.15Å; L443-E445 HydrophobicContact CG-CG 3.91Å; E445-T493 HydrophobicContact CB-CG2 4.02Å; E445-T493 HydrophobicContact CG-CG2 4.28Å; E445-L494 CarbonylContact C-O 3.43Å; E445-L494 VanDerWaalsContact CA-O 3.29Å; E445-L494 WeakPolarHBondContact CA-O 3.26Å; E445-F531 CarbonylContact O-C 3.49Å; E445-F531 VanDerWaalsContact O-CA 3.25Å; E445-F531 WeakPolarHBondContact O-CA 3.48Å; E445-I532 HydrophobicContact CB-CB 4.4Å; E445-I532 PolarHBondContact N-O 3.23Å; E445-I532 PolarHBondContact O-N 3.3Å; E445-H534 IonicContact OE2-NE2 2.95Å
446	T	98.5	Very high	97.6	Very high	8 Å²	8	21.3 Å²	21.3	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	168.1	173.2	-178.6	0	0	0	0	110.3	T493 L494 L528 R529 F531	T446-T493 CarbonylContact O-C 3.47Å; T446-T493 WeakPolarHBondContact O-CA 3.25Å; T446-L494 HydrophobicContact CG2-CB 4.17Å; T446-L494 HydrophobicContact CG2-CD2 4.26Å; T446-L494 PolarHBondContact N-O 3.26Å; T446-L494 PolarHBondContact O-N 2.9Å; T446-L528 HydrophobicContact CG2-CB 4.36Å; T446-L528 HydrophobicContact CG2-CD1 4.11Å; T446-R529 PolarHBondContact OG1-O 3.35Å; T446-F531 HydrophobicContact CG2-CD1 4.36Å; T446-F531 HydrophobicContact CG2-CE1 3.85Å; T446-F531 HydrophobicContact CG2-CZ 4.2Å
447	V	98.1	Very high	97.6	Very high	91 Å²	91	25.7 Å²	25.7	55%	0.552	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.7	-179.5	-178.9	0	0	0	0	110.3	R492	V447-R492 WeakPolarHBondContact CA-O 3.45Å
448	I	97.8	Very high	97.6	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154	174.1	61.9	168.1	0	0	0	110.3	V468 I485 R492 L494 L523 L528	I448-V468 HydrophobicContact CD1-CG2 4.45Å; I448-I485 HydrophobicContact CD1-CG2 3.81Å; I448-R492 HydrophobicContact CG1-CB 4.21Å; I448-R492 PolarHBondContact N-O 2.62Å; I448-R492 PolarHBondContact O-N 3.33Å; I448-L494 HydrophobicContact CD1-CB 4.13Å; I448-L494 HydrophobicContact CG1-CB 4.24Å; I448-L494 HydrophobicContact CG2-CB 3.95Å; I448-L494 HydrophobicContact CG2-CD2 4.2Å; I448-L523 HydrophobicContact CB-CD2 3.99Å; I448-L523 HydrophobicContact CD1-CD2 4.38Å; I448-L523 HydrophobicContact CG2-CD2 3.79Å; I448-L528 HydrophobicContact CG2-CD2 4.07Å
449	T	96.1	Very high	97.6	Very high	99 Å²	99	29.3 Å²	29.3	61%	0.607	17%	0.169	S	C	*	.	S	Bend	trans	-119.2	-4.5	-178.2	55.2	0	0	0	0	114
450	S	94.6	Very high	97.7	Very high	47 Å²	47	27.7 Å²	27.7	33%	0.329	16%	0.162	S	C	.	.	S	Bend	trans	-147.7	160.1	-179.9	64.6	0	0	0	0	110.5	R492	S450-R492 PolarHBondContact O-NH2 3.16Å; S450-R492 VanDerWaalsContact O-NH2 3.1Å
451	G	96	Very high	97.7	Very high	8 Å²	8	29.7 Å²	29.7	8%	0.082	17%	0.17	C	C	.	.			trans	-76.7	-172	166.1	0	0	0	0	0	112.7	I485 P486 D487 R492 N524	G451-I485 CarbonylContact C-O 3.23Å; G451-I485 VanDerWaalsContact CA-O 3.29Å; G451-I485 WeakPolarHBondContact CA-O 3.38Å; G451-P486 WeakPolarHBondContact CA-O 3.3Å; G451-D487 PolarHBondContact N-OD1 2.8Å; G451-R492 VanDerWaalsContact N-NH2 3.16Å; G451-N524 PolarHBondContact O-ND2 3.38Å
452	G	97.3	Very high	97.6	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.7	-156.7	173.9	0	0	0	0	0	113.7	I485 N524	G452-I485 PolarHBondContact N-O 2.99Å; G452-I485 WeakPolarHBondContact O-CB 3.49Å; G452-I485 PolarHBondContact O-N 2.61Å; G452-N524 VanDerWaalsContact CA-OD1 3.24Å; G452-N524 WeakPolarHBondContact CA-OD1 3.46Å
453	T	98.3	Very high	97.6	Very high	57 Å²	57	31.3 Å²	31.3	35%	0.35	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112	-176.4	-55.4	0	0	0	0	110.5	E482 L523 N524	T453-E482 HydrophobicContact CG2-CB 4.13Å; T453-E482 HydrophobicContact CG2-CG 4.3Å; T453-L523 WeakPolarHBondContact O-CA 3.4Å; T453-N524 PolarHBondContact N-OD1 3.49Å; T453-N524 PolarHBondContact O-N 3.28Å
454	L	98.7	Very high	97.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.3	165.7	175.4	67.5	0	0	0	108.3	V466 L476 E482 L483 I485 L494 E522 L523 L528	L454-V466 HydrophobicContact CD2-CG1 3.82Å; L454-V466 HydrophobicContact CD2-CG2 4.27Å; L454-L476 HydrophobicContact CD2-CD1 3.74Å; L454-L476 HydrophobicContact CG-CD1 4.17Å; L454-E482 CarbonylContact O-C 3.6Å; L454-E482 VanDerWaalsContact O-CA 3.23Å; L454-E482 WeakPolarHBondContact O-CA 3.33Å; L454-L483 PolarHBondContact N-O 3.02Å; L454-L483 PolarHBondContact O-N 3.31Å; L454-I485 HydrophobicContact CB-CD1 3.83Å; L454-I485 HydrophobicContact CB-CG1 3.53Å; L454-I485 HydrophobicContact CD2-CD1 3.91Å; L454-I485 HydrophobicContact CD2-CG1 4.42Å; L454-L494 HydrophobicContact CD1-CD2 4.02Å; L454-L494 HydrophobicContact CD2-CD1 4.36Å; L454-L494 HydrophobicContact CD2-CD2 4.33Å; L454-E522 CarbonylContact C-O 3.57Å; L454-E522 WeakPolarHBondContact CA-O 3.39Å; L454-E522 WeakPolarHBondContact CD1-O 3.45Å; L454-L523 HydrophobicContact CB-CD1 4.37Å; L454-L528 HydrophobicContact CD1-CD1 3.98Å
455	N	98.5	Very high	97.6	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.5	177.7	-176.2	-41.9	0	0	0	109.3	K457 Q481 E482 E522	N455-K457 VanDerWaalsContact C-N 3.31Å; N455-K457 WeakPolarHBondContact OD1-CA 3.42Å; N455-K457 PolarHBondContact OD1-N 3.11Å; N455-Q481 CarbonylContact C-O 3.54Å; N455-Q481 WeakPolarHBondContact CA-O 3.29Å; N455-E482 HydrophobicContact CB-CG 4.05Å; N455-E482 WeakPolarHBondContact ND2-CG 3.39Å; N455-E482 PolarHBondContact ND2-OE1 2.86Å; N455-E522 PolarHBondContact N-O 2.84Å; N455-E522 PolarHBondContact O-N 2.74Å
456	S	97.6	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.			trans	-79	-12.8	-178.4	73.2	0	0	0	0	114	N458 N459 I460 Q481	S456-N458 PolarHBondContact O-N 3.1Å; S456-N458 VanDerWaalsContact O-N 3.12Å; S456-N458 PolarHBondContact OG-N 2.89Å; S456-N459 VanDerWaalsContact O-CB 3.24Å; S456-N459 WeakPolarHBondContact O-CB 3.38Å; S456-N459 PolarHBondContact O-N 3.31Å; S456-I460 VanDerWaalsContact CB-CD1 3.48Å; S456-Q481 PolarHBondContact N-O 3.48Å; S456-Q481 PolarHBondContact OG-O 2.87Å
457	K	97.4	Very high	97.6	Very high	92 Å²	92	29.8 Å²	29.8	40%	0.4	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	30.7	-171.4	-62.3	-67.3	-166	-168.2	0	113.1	N455 N459 E522	N455-K457 VanDerWaalsContact C-N 3.31Å; N455-K457 WeakPolarHBondContact OD1-CA 3.42Å; N455-K457 PolarHBondContact OD1-N 3.11Å; K457-N459 PolarHBondContact O-N 2.89Å; K457-E522 WeakPolarHBondContact CE-OE1 3.01Å; K457-E522 WeakPolarHBondContact CE-OE2 3.39Å; K457-E522 IonicContact NZ-OE1 3.69Å; K457-E522 IonicContact NZ-OE2 3.85Å; K457-E522 PolarHBondContact NZ-OE2 3.12Å
458	N	96.1	Very high	97.7	Very high	55 Å²	55	26 Å²	26	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.9	-171.8	-167.2	19.3	0	0	0	113.1	S456 R461	S456-N458 PolarHBondContact O-N 3.1Å; S456-N458 VanDerWaalsContact O-N 3.12Å; S456-N458 PolarHBondContact OG-N 2.89Å; N458-R461 PolarHBondContact O-NH1 2.96Å; N458-R461 PolarHBondContact O-NH2 2.94Å; N458-R461 PolarHBondContact OD1-NH1 3.19Å
459	N	97.9	Very high	97.6	Very high	38 Å²	38	29.3 Å²	29.3	20%	0.203	16%	0.164	C	C	.	.			trans	-100.9	9.2	178.7	-70.2	-39.4	0	0	0	113.8	S456 K457 L517 V518 D520	S456-N459 VanDerWaalsContact O-CB 3.24Å; S456-N459 WeakPolarHBondContact O-CB 3.38Å; S456-N459 PolarHBondContact O-N 3.31Å; K457-N459 PolarHBondContact O-N 2.89Å; N459-L517 WeakPolarHBondContact O-CA 2.84Å; N459-V518 HydrophobicContact CB-CG2 4.24Å; N459-V518 WeakPolarHBondContact O-CG2 3.47Å; N459-V518 PolarHBondContact O-N 3.02Å; N459-D520 PolarHBondContact ND2-N 2.85Å; N459-D520 PolarHBondContact ND2-O 2.92Å
460	I	98.3	Very high	97.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.3	175.3	-71.5	166	0	0	0	109.6	S456 A464 L476 V498 L517	S456-I460 VanDerWaalsContact CB-CD1 3.48Å; I460-A464 HydrophobicContact CD1-CB 3.8Å; I460-A464 HydrophobicContact CG1-CB 4.29Å; I460-A464 HydrophobicContact CG2-CB 3.91Å; I460-L476 HydrophobicContact CD1-CB 3.32Å; I460-L476 HydrophobicContact CD1-CD1 3.72Å; I460-L476 HydrophobicContact CD1-CG 4.16Å; I460-V498 HydrophobicContact CG2-CG1 4.19Å; I460-L517 HydrophobicContact CG1-CD2 3.55Å
461	R	97.6	Very high	97.6	Very high	43 Å²	43	33.9 Å²	33.9	16%	0.162	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	94	179.2	-62.9	-64.2	178.1	-94.9	-6	109.1	N458 Y478 R514 K515 G516 V518	N458-R461 PolarHBondContact O-NH1 2.96Å; N458-R461 PolarHBondContact O-NH2 2.94Å; N458-R461 PolarHBondContact OD1-NH1 3.19Å; R461-Y478 WeakPolarHBondContact CD-OH 3.39Å; R461-Y478 VanDerWaalsContact NH1-CE1 3.34Å; R461-R514 WeakPolarHBondContact CB-O 3.24Å; R461-R514 WeakPolarHBondContact CG-O 3.36Å; R461-K515 HydrophobicContact CB-CD 4.09Å; R461-G516 PolarHBondContact N-O 3.12Å; R461-G516 PolarHBondContact O-N 3.23Å; R461-V518 HydrophobicContact CB-CG1 4.26Å; R461-V518 HydrophobicContact CG-CB 4.47Å; R461-V518 HydrophobicContact CG-CG1 3.73Å; R461-V518 HydrophobicContact CG-CG2 3.86Å
462	D	97.6	Very high	97.7	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.059	19%	0.188	C	C	.	.	S	Bend	cis	-116.9	-32.5	13.5	-55.9	-49.6	0	0	0	113.6	Y478 E499 C501 K515	D462-Y478 HydrophobicContact CB-CE2 3.94Å; D462-Y478 PolarHBondContact OD1-OH 3.39Å; D462-Y478 VanDerWaalsContact OD1-OH 3.1Å; D462-E499 PolarHBondContact N-O 3.48Å; D462-C501 HydrophobicContact CB-CB 3.97Å; D462-C501 WeakPolarHBondContact OD2-CB 3.49Å; D462-C501 PolarHBondContact OD2-N 3.31Å; D462-K515 IonicContact OD1-NZ 3.43Å; D462-K515 PolarHBondContact OD1-NZ 2.89Å; D462-K515 IonicContact OD2-NZ 3.86Å; D462-K515 PolarHBondContact OD2-NZ 2.74Å
463	R	98.1	Very high	97.7	Very high	24 Å²	24	39.4 Å²	39.4	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.9	-175.4	-179.6	174.3	171.6	-84	3.8	110	V475 L476 D477 V498 E499 E628	R463-V475 HydrophobicContact CG-CG1 3.61Å; R463-L476 CarbonylContact C-O 3.53Å; R463-L476 WeakPolarHBondContact CA-O 3.43Å; R463-D477 HydrophobicContact CB-CB 4.39Å; R463-D477 HydrophobicContact CG-CB 4.33Å; R463-V498 CarbonylContact O-C 3.53Å; R463-V498 WeakPolarHBondContact O-CA 3.48Å; R463-E499 PolarHBondContact O-N 2.67Å; R463-E628 IonicContact CZ-OE2 2.84Å; R463-E628 IonicContact NH1-OE2 2.61Å; R463-E628 PolarHBondContact NH1-OE2 3.22Å; R463-E628 IonicContact NH2-OE2 2.71Å
464	A	98.6	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.7	179.3	0	0	0	0	0	111.8	I460 V475 L476 L497 V498	I460-A464 HydrophobicContact CD1-CB 3.8Å; I460-A464 HydrophobicContact CG1-CB 4.29Å; I460-A464 HydrophobicContact CG2-CB 3.91Å; A464-V475 CarbonylContact O-C 3.42Å; A464-V475 WeakPolarHBondContact O-CA 3.43Å; A464-L476 PolarHBondContact N-O 2.73Å; A464-L476 PolarHBondContact O-N 2.54Å; A464-L497 VanDerWaalsContact CA-O 3.28Å; A464-L497 WeakPolarHBondContact CA-O 3.42Å; A464-V498 HydrophobicContact CB-CG2 3.9Å
465	L	98.8	Very high	97.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.6	163	-55.7	178.1	0	0	0	108.4	F467 Y472 V475 L496 L497 P562 E628	L465-F467 HydrophobicContact CB-CE2 3.45Å; L465-F467 VanDerWaalsContact CB-CE2 3.45Å; L465-F467 HydrophobicContact CB-CZ 3.62Å; L465-F467 HydrophobicContact CD1-CZ 4.19Å; L465-F467 WeakPolarHBondContact O-CD2 3.48Å; L465-F467 WeakPolarHBondContact O-CE2 3.49Å; L465-Y472 HydrophobicContact CB-CE2 4.4Å; L465-Y472 HydrophobicContact CD2-CE2 4.06Å; L465-V475 HydrophobicContact CD2-CG2 3.77Å; L465-L496 WeakPolarHBondContact O-CA 3.41Å; L465-L497 HydrophobicContact CB-CB 4.4Å; L465-L497 HydrophobicContact CD1-CD2 4.37Å; L465-L497 PolarHBondContact N-O 2.68Å; L465-L497 PolarHBondContact O-N 3.02Å; L465-P562 HydrophobicContact CD1-CG 3.87Å; L465-E628 HydrophobicContact CD1-CB 3.87Å; L465-E628 HydrophobicContact CD1-CG 4.09Å
466	V	98.8	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.2	-176.3	-175.5	0	0	0	0	110.3	L454 V473 G474 L476 L483 I485 L494 G495	L454-V466 HydrophobicContact CD2-CG1 3.82Å; L454-V466 HydrophobicContact CD2-CG2 4.27Å; V466-V473 HydrophobicContact CG1-CB 4.49Å; V466-V473 PolarHBondContact O-N 2.63Å; V466-G474 PolarHBondContact N-O 2.82Å; V466-L476 HydrophobicContact CG2-CD1 3.69Å; V466-L476 HydrophobicContact CG2-CG 3.89Å; V466-L483 HydrophobicContact CB-CD2 3.69Å; V466-L483 HydrophobicContact CG1-CD2 3.97Å; V466-L483 HydrophobicContact CG2-CD2 3.87Å; V466-I485 HydrophobicContact CG1-CD1 4.03Å; V466-L494 HydrophobicContact CG1-CD1 3.79Å; V466-G495 CarbonylContact C-O 3.53Å; V466-G495 WeakPolarHBondContact CA-O 3.33Å
467	F	98.6	Very high	97.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.5	-178.2	-54.2	-93.6	0	0	0	111.6	W408 L465 Q471 Y472 L494 G495 L497 P562	W408-F467 HydrophobicContact CH2-CD1 4.03Å; W408-F467 AromaticContact CH2-CE1 3.83Å; W408-F467 HydrophobicContact CH2-CE1 3.83Å; W408-F467 HydrophobicContact CH2-CZ 4.15Å; W408-F467 AromaticContact CZ2-CD1 3.98Å; W408-F467 HydrophobicContact CZ2-CD1 3.98Å; W408-F467 HydrophobicContact CZ2-CD2 4.34Å; W408-F467 HydrophobicContact CZ2-CE1 4.2Å; W408-F467 HydrophobicContact CZ2-CG 4.09Å; W408-F467 HydrophobicContact CZ2-CZ 4.49Å; L465-F467 HydrophobicContact CB-CE2 3.45Å; L465-F467 VanDerWaalsContact CB-CE2 3.45Å; L465-F467 HydrophobicContact CB-CZ 3.62Å; L465-F467 HydrophobicContact CD1-CZ 4.19Å; L465-F467 WeakPolarHBondContact O-CD2 3.48Å; L465-F467 WeakPolarHBondContact O-CE2 3.49Å; F467-Q471 CarbonylContact C-O 3.56Å; F467-Q471 WeakPolarHBondContact CA-O 3.48Å; F467-Y472 AromaticContact CE1-CD2 3.98Å; F467-Y472 HydrophobicContact CE1-CD2 3.98Å; F467-Y472 HydrophobicContact CE1-CG 4.44Å; F467-Y472 HydrophobicContact CZ-CD2 4.22Å; F467-L494 CarbonylContact O-C 3.55Å; F467-L494 WeakPolarHBondContact O-CA 3.26Å; F467-G495 PolarHBondContact N-O 2.95Å; F467-G495 PolarHBondContact O-N 2.75Å; F467-L497 HydrophobicContact CE2-CB 3.99Å; F467-P562 VanDerWaalsContact CZ-CD 3.49Å; F467-P562 HydrophobicContact CZ-CG 4.03Å
468	V	98.3	Very high	97.6	Very high	12 Å²	12	36.9 Å²	36.9	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122	166.1	176	0	0	0	0	108.4	I448 K470 Q471 V473 I485 R492 T493 L494	I448-V468 HydrophobicContact CD1-CG2 4.45Å; V468-K470 PolarHBondContact O-N 2.84Å; V468-Q471 PolarHBondContact N-O 3.08Å; V468-Q471 WeakPolarHBondContact O-CB 3.42Å; V468-Q471 PolarHBondContact O-N 3.1Å; V468-V473 HydrophobicContact CB-CG2 4.18Å; V468-V473 HydrophobicContact CG2-CG2 3.83Å; V468-I485 HydrophobicContact CG2-CG2 3.74Å; V468-R492 HydrophobicContact CG1-CB 4.26Å; V468-T493 CarbonylContact C-O 3.41Å; V468-T493 VanDerWaalsContact CA-O 3.31Å; V468-T493 WeakPolarHBondContact CA-O 3.29Å; V468-L494 HydrophobicContact CG2-CD1 4.06Å
469	D	96.4	Very high	97.5	Very high	75 Å²	75	42.1 Å²	42.1	40%	0.401	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.3	-174.1	-62.1	-35.2	0	0	0	112	Q471 R492 T493	D469-Q471 PolarHBondContact O-N 3.4Å; D469-R492 WeakPolarHBondContact OD1-CA 3.32Å; D469-R492 WeakPolarHBondContact OD2-CB 3.17Å; D469-R492 VanDerWaalsContact OD2-CG 3.32Å; D469-R492 WeakPolarHBondContact OD2-CG 3.44Å; D469-T493 PolarHBondContact N-O 2.81Å; D469-T493 PolarHBondContact OD1-N 2.8Å
470	K	95.7	Very high	97.5	Very high	108 Å²	108	43.5 Å²	43.5	47%	0.47	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	4.7	-178.2	-40.7	-178	177.9	-177.1	0	115.2	W408 V468	W408-K470 HydrophobicContact CB-CD 4.24Å; W408-K470 VanDerWaalsContact CD1-CD 3.48Å; W408-K470 VanDerWaalsContact CD1-CE 3.5Å; W408-K470 HydrophobicContact CD2-CB 4.41Å; W408-K470 HydrophobicContact CD2-CD 4.28Å; W408-K470 HydrophobicContact CD2-CG 4.43Å; W408-K470 HydrophobicContact CG-CD 3.7Å; W408-K470 HydrophobicContact CG-CG 4.18Å; W408-K470 HydrophobicContact CZ2-CB 4.3Å; V468-K470 PolarHBondContact O-N 2.84Å
471	Q	95.8	Very high	97.4	Very high	135 Å²	135	46.8 Å²	46.8	63%	0.631	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.1	173.4	-59.1	-59.3	-46.5	0	0	110.2	F467 V468 D469	F467-Q471 CarbonylContact C-O 3.56Å; F467-Q471 WeakPolarHBondContact CA-O 3.48Å; V468-Q471 PolarHBondContact N-O 3.08Å; V468-Q471 WeakPolarHBondContact O-CB 3.42Å; V468-Q471 PolarHBondContact O-N 3.1Å; D469-Q471 PolarHBondContact O-N 3.4Å
472	Y	97.5	Very high	97.5	Very high	109 Å²	109	50.1 Å²	50.1	43%	0.427	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.3	179.5	175.2	-104.3	0	0	0	111.7	L465 F467 G474 V475 Q629	L465-Y472 HydrophobicContact CB-CE2 4.4Å; L465-Y472 HydrophobicContact CD2-CE2 4.06Å; F467-Y472 AromaticContact CE1-CD2 3.98Å; F467-Y472 HydrophobicContact CE1-CD2 3.98Å; F467-Y472 HydrophobicContact CE1-CG 4.44Å; F467-Y472 HydrophobicContact CZ-CD2 4.22Å; Y472-G474 VanDerWaalsContact CE2-O 3.24Å; Y472-G474 WeakPolarHBondContact CE2-O 3.5Å; Y472-G474 VanDerWaalsContact CZ-CA 3.49Å; Y472-G474 WeakPolarHBondContact OH-CA 3.26Å; Y472-V475 HydrophobicContact CE2-CG2 4.39Å; Y472-V475 WeakPolarHBondContact OH-CG2 3.07Å; Y472-Q629 PolarHBondContact OH-NE2 3.1Å
473	V	97.8	Very high	97.5	Very high	37 Å²	37	51.1 Å²	51.1	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-40.1	179.6	-176.4	0	0	0	0	111.5	V466 V468 L483 V484 I485	V466-V473 HydrophobicContact CG1-CB 4.49Å; V466-V473 PolarHBondContact O-N 2.63Å; V468-V473 HydrophobicContact CB-CG2 4.18Å; V468-V473 HydrophobicContact CG2-CG2 3.83Å; V473-L483 HydrophobicContact CB-CD2 4.14Å; V473-L483 HydrophobicContact CG1-CD2 3.77Å; V473-L483 HydrophobicContact CG1-CG 4.15Å; V473-V484 WeakPolarHBondContact CG1-O 3.3Å; V473-I485 HydrophobicContact CG1-CD1 4.19Å
474	G	97.9	Very high	97.5	Very high	8 Å²	8	55.1 Å²	55.1	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-170.6	-175.8	0	0	0	0	0	113.5	V466 Y472	V466-G474 PolarHBondContact N-O 2.82Å; Y472-G474 VanDerWaalsContact CE2-O 3.24Å; Y472-G474 WeakPolarHBondContact CE2-O 3.5Å; Y472-G474 VanDerWaalsContact CZ-CA 3.49Å; Y472-G474 WeakPolarHBondContact OH-CA 3.26Å
475	V	98.3	Very high	97.5	Very high	31 Å²	31	55.2 Å²	55.2	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	179.2	-174.1	0	0	0	0	109.8	R463 A464 L465 Y472	R463-V475 HydrophobicContact CG-CG1 3.61Å; A464-V475 CarbonylContact O-C 3.42Å; A464-V475 WeakPolarHBondContact O-CA 3.43Å; L465-V475 HydrophobicContact CD2-CG2 3.77Å; Y472-V475 HydrophobicContact CE2-CG2 4.39Å; Y472-V475 WeakPolarHBondContact OH-CG2 3.07Å
476	L	98.6	Very high	97.3	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.8	165.8	-68.1	169.8	0	0	0	109.5	L454 I460 R463 A464 V466 V480 Q481 L483	L454-L476 HydrophobicContact CD2-CD1 3.74Å; L454-L476 HydrophobicContact CG-CD1 4.17Å; I460-L476 HydrophobicContact CD1-CB 3.32Å; I460-L476 HydrophobicContact CD1-CD1 3.72Å; I460-L476 HydrophobicContact CD1-CG 4.16Å; R463-L476 CarbonylContact C-O 3.53Å; R463-L476 WeakPolarHBondContact CA-O 3.43Å; A464-L476 PolarHBondContact N-O 2.73Å; A464-L476 PolarHBondContact O-N 2.54Å; V466-L476 HydrophobicContact CG2-CD1 3.69Å; V466-L476 HydrophobicContact CG2-CG 3.89Å; L476-V480 CarbonylContact C-O 3.51Å; L476-V480 VanDerWaalsContact CA-O 3.24Å; L476-V480 WeakPolarHBondContact CA-O 3.47Å; L476-V480 HydrophobicContact CD2-CG1 4.44Å; L476-V480 WeakPolarHBondContact CD2-O 3.47Å; L476-Q481 VanDerWaalsContact CD2-C 3.48Å; L476-L483 HydrophobicContact CD2-CB 3.91Å; L476-L483 HydrophobicContact CG-CB 4.35Å
477	D	97.4	Very high	97.1	Very high	39 Å²	39	64.6 Å²	64.6	21%	0.209	33%	0.326	C	S	.	.	S	Bend	trans	-153.4	-163.7	177.8	62.3	31	0	0	0	110.2	R463 K479 V480	R463-D477 HydrophobicContact CB-CB 4.39Å; R463-D477 HydrophobicContact CG-CB 4.33Å; D477-K479 VanDerWaalsContact C-N 3.26Å; D477-K479 PolarHBondContact O-N 3.22Å; D477-K479 WeakPolarHBondContact OD1-CA 3.23Å; D477-K479 WeakPolarHBondContact OD1-CB 3.43Å; D477-K479 PolarHBondContact OD1-N 2.93Å; D477-V480 PolarHBondContact N-O 2.56Å; D477-V480 CarbonylContact O-C 3.6Å; D477-V480 VanDerWaalsContact O-O 3.07Å; D477-V480 PolarHBondContact OD1-N 2.64Å
478	Y	95	Very high	96.8	Very high	41 Å²	41	65.8 Å²	65.8	16%	0.161	34%	0.339	C	S	.	.	S	Bend	trans	-61.4	-31.8	177.2	-68.8	-79.8	0	0	0	113.9	A345 P346 R461 D462 Q481	A345-Y478 HydrophobicContact CB-CD1 4.19Å; A345-Y478 HydrophobicContact CB-CD2 4.07Å; A345-Y478 HydrophobicContact CB-CG 3.69Å; P346-Y478 HydrophobicContact CG-CE2 4.39Å; R461-Y478 WeakPolarHBondContact CD-OH 3.39Å; R461-Y478 VanDerWaalsContact NH1-CE1 3.34Å; D462-Y478 HydrophobicContact CB-CE2 3.94Å; D462-Y478 PolarHBondContact OD1-OH 3.39Å; D462-Y478 VanDerWaalsContact OD1-OH 3.1Å; Y478-Q481 PolarHBondContact O-NE2 3.06Å
479	K	94.8	Very high	96.3	Very high	166 Å²	166	75.1 Å²	75.1	72%	0.722	38%	0.379	S	S	*	.	S	Bend	trans	-89.5	-39.1	-177.9	-63	177.8	-178.5	173.3	0	111.3	D477	D477-K479 VanDerWaalsContact C-N 3.26Å; D477-K479 PolarHBondContact O-N 3.22Å; D477-K479 WeakPolarHBondContact OD1-CA 3.23Å; D477-K479 WeakPolarHBondContact OD1-CB 3.43Å; D477-K479 PolarHBondContact OD1-N 2.93Å
480	V	97.4	Very high	96.1	Very high	66 Å²	66	73.9 Å²	73.9	40%	0.4	38%	0.384	S	S	.	.			trans	-109.1	100.2	-179.3	-174	0	0	0	0	109.5	L476 D477	L476-V480 CarbonylContact C-O 3.51Å; L476-V480 VanDerWaalsContact CA-O 3.24Å; L476-V480 WeakPolarHBondContact CA-O 3.47Å; L476-V480 HydrophobicContact CD2-CG1 4.44Å; L476-V480 WeakPolarHBondContact CD2-O 3.47Å; D477-V480 PolarHBondContact N-O 2.56Å; D477-V480 CarbonylContact O-C 3.6Å; D477-V480 VanDerWaalsContact O-O 3.07Å; D477-V480 PolarHBondContact OD1-N 2.64Å
481	Q	97.5	Very high	96	Very high	70 Å²	70	73.3 Å²	73.3	33%	0.327	39%	0.393	S	S	.	.			trans	-103.1	-9.7	-176.7	-62.2	179.2	21.3	0	0	113.8	N455 S456 L476 Y478	N455-Q481 CarbonylContact C-O 3.54Å; N455-Q481 WeakPolarHBondContact CA-O 3.29Å; S456-Q481 PolarHBondContact N-O 3.48Å; S456-Q481 PolarHBondContact OG-O 2.87Å; L476-Q481 VanDerWaalsContact CD2-C 3.48Å; Y478-Q481 PolarHBondContact O-NE2 3.06Å
482	E	98.1	Very high	96.1	Very high	114 Å²	114	67.6 Å²	67.6	53%	0.533	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.2	178.4	-64.2	-171.3	161.7	0	0	111	T453 L454 N455	T453-E482 HydrophobicContact CG2-CB 4.13Å; T453-E482 HydrophobicContact CG2-CG 4.3Å; L454-E482 CarbonylContact O-C 3.6Å; L454-E482 VanDerWaalsContact O-CA 3.23Å; L454-E482 WeakPolarHBondContact O-CA 3.33Å; N455-E482 HydrophobicContact CB-CG 4.05Å; N455-E482 WeakPolarHBondContact ND2-CG 3.39Å; N455-E482 PolarHBondContact ND2-OE1 2.86Å
483	L	97.9	Very high	96.1	Very high	31 Å²	31	65 Å²	65	16%	0.162	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	138.4	177.2	-171.4	69.6	0	0	0	109.8	L454 V466 V473 L476 I485	L454-L483 PolarHBondContact N-O 3.02Å; L454-L483 PolarHBondContact O-N 3.31Å; V466-L483 HydrophobicContact CB-CD2 3.69Å; V466-L483 HydrophobicContact CG1-CD2 3.97Å; V466-L483 HydrophobicContact CG2-CD2 3.87Å; V473-L483 HydrophobicContact CB-CD2 4.14Å; V473-L483 HydrophobicContact CG1-CD2 3.77Å; V473-L483 HydrophobicContact CG1-CG 4.15Å; L476-L483 HydrophobicContact CD2-CB 3.91Å; L476-L483 HydrophobicContact CG-CB 4.35Å; L483-I485 HydrophobicContact CD2-CD1 4.38Å; L483-I485 PolarHBondContact O-N 3.16Å
484	V	98.3	Very high	96.2	Very high	108 Å²	108	63.2 Å²	63.2	66%	0.655	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.6	174.9	-179.3	0	0	0	0	109.3	V473	V473-V484 WeakPolarHBondContact CG1-O 3.3Å
485	I	98.3	Very high	96.2	Very high	2 Å²	2	63 Å²	63	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.9	175.3	-57	-52.5	0	0	0	108.9	I448 G451 G452 L454 V466 V468 V473 L483 L494 L523	I448-I485 HydrophobicContact CD1-CG2 3.81Å; G451-I485 CarbonylContact C-O 3.23Å; G451-I485 VanDerWaalsContact CA-O 3.29Å; G451-I485 WeakPolarHBondContact CA-O 3.38Å; G452-I485 PolarHBondContact N-O 2.99Å; G452-I485 WeakPolarHBondContact O-CB 3.49Å; G452-I485 PolarHBondContact O-N 2.61Å; L454-I485 HydrophobicContact CB-CD1 3.83Å; L454-I485 HydrophobicContact CB-CG1 3.53Å; L454-I485 HydrophobicContact CD2-CD1 3.91Å; L454-I485 HydrophobicContact CD2-CG1 4.42Å; V466-I485 HydrophobicContact CG1-CD1 4.03Å; V468-I485 HydrophobicContact CG2-CG2 3.74Å; V473-I485 HydrophobicContact CG1-CD1 4.19Å; L483-I485 HydrophobicContact CD2-CD1 4.38Å; L483-I485 PolarHBondContact O-N 3.16Å; I485-L494 HydrophobicContact CD1-CD1 4.13Å; I485-L523 HydrophobicContact CB-CD1 4.27Å; I485-L523 HydrophobicContact CG1-CD1 4.03Å
486	P	96	Very high	96.2	Very high	71 Å²	71	61.5 Å²	61.5	46%	0.461	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.2	144.3	177.8	-25.2	33.7	0	0	0	112.2	G451 R492	G451-P486 WeakPolarHBondContact CA-O 3.3Å; P486-R492 PolarHBondContact O-NH1 2.78Å; P486-R492 PolarHBondContact O-NH2 2.89Å
487	D	93.9	Very high	96.2	Very high	129 Å²	129	61.6 Å²	61.6	69%	0.69	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-74.1	157.6	172.9	-154.1	9.6	0	0	0	111.5	G451	G451-D487 PolarHBondContact N-OD1 2.8Å
488	G	91.3	Very high	96.3	Very high	28 Å²	28	59.7 Å²	59.7	29%	0.289	33%	0.33	S	S	.	.			trans	-172.5	160.6	-175.3	0	0	0	0	0	113.1
489	K	87.9	Confident	96.5	Very high	208 Å²	208	57.9 Å²	57.9	90%	0.904	32%	0.323	S	S	*	.	S	Bend	trans	-85.3	138.6	-176.4	-65.4	-177.5	179.5	178.9	0	111.3
490	G	92.2	Very high	96.7	Very high	50 Å²	50	50 Å²	50	52%	0.515	29%	0.288	S	S	.	.	S	Bend	trans	75.1	-169.9	171.9	0	0	0	0	0	114.1
491	S	95.2	Very high	96.7	Very high	95 Å²	95	47.2 Å²	47.2	66%	0.664	27%	0.272	S	S	*	.			trans	-73.9	130	174.5	-64.4	0	0	0	0	110.5
492	R	97.1	Very high	96.7	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.06	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.2	-178.7	-61	178.7	-67.9	154.9	4.1	109.8	V447 I448 S450 G451 V468 D469 P486	V447-R492 WeakPolarHBondContact CA-O 3.45Å; I448-R492 HydrophobicContact CG1-CB 4.21Å; I448-R492 PolarHBondContact N-O 2.62Å; I448-R492 PolarHBondContact O-N 3.33Å; S450-R492 PolarHBondContact O-NH2 3.16Å; S450-R492 VanDerWaalsContact O-NH2 3.1Å; G451-R492 VanDerWaalsContact N-NH2 3.16Å; V468-R492 HydrophobicContact CG1-CB 4.26Å; D469-R492 WeakPolarHBondContact OD1-CA 3.32Å; D469-R492 WeakPolarHBondContact OD2-CB 3.17Å; D469-R492 VanDerWaalsContact OD2-CG 3.32Å; D469-R492 WeakPolarHBondContact OD2-CG 3.44Å; P486-R492 PolarHBondContact O-NH1 2.78Å; P486-R492 PolarHBondContact O-NH2 2.89Å
493	T	98.1	Very high	96.7	Very high	54 Å²	54	38.5 Å²	38.5	33%	0.331	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.2	179.5	-52.9	0	0	0	0	109.7	E445 T446 V468 D469	E445-T493 HydrophobicContact CB-CG2 4.02Å; E445-T493 HydrophobicContact CG-CG2 4.28Å; T446-T493 CarbonylContact O-C 3.47Å; T446-T493 WeakPolarHBondContact O-CA 3.25Å; V468-T493 CarbonylContact C-O 3.41Å; V468-T493 VanDerWaalsContact CA-O 3.31Å; V468-T493 WeakPolarHBondContact CA-O 3.29Å; D469-T493 PolarHBondContact N-O 2.81Å; D469-T493 PolarHBondContact OD1-N 2.8Å
494	L	98.7	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.3	166.8	179.4	71.3	0	0	0	108.6	E445 T446 I448 L454 V466 F467 V468 I485 L496 L528	E445-L494 CarbonylContact C-O 3.43Å; E445-L494 VanDerWaalsContact CA-O 3.29Å; E445-L494 WeakPolarHBondContact CA-O 3.26Å; T446-L494 HydrophobicContact CG2-CB 4.17Å; T446-L494 HydrophobicContact CG2-CD2 4.26Å; T446-L494 PolarHBondContact N-O 3.26Å; T446-L494 PolarHBondContact O-N 2.9Å; I448-L494 HydrophobicContact CD1-CB 4.13Å; I448-L494 HydrophobicContact CG1-CB 4.24Å; I448-L494 HydrophobicContact CG2-CB 3.95Å; I448-L494 HydrophobicContact CG2-CD2 4.2Å; L454-L494 HydrophobicContact CD1-CD2 4.02Å; L454-L494 HydrophobicContact CD2-CD1 4.36Å; L454-L494 HydrophobicContact CD2-CD2 4.33Å; V466-L494 HydrophobicContact CG1-CD1 3.79Å; F467-L494 CarbonylContact O-C 3.55Å; F467-L494 WeakPolarHBondContact O-CA 3.26Å; V468-L494 HydrophobicContact CG2-CD1 4.06Å; I485-L494 HydrophobicContact CD1-CD1 4.13Å; L494-L496 HydrophobicContact CD2-CD1 4.1Å; L494-L496 HydrophobicContact CG-CD1 4.03Å; L494-L528 HydrophobicContact CD2-CD1 3.54Å
495	G	98.6	Very high	96.7	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.4	175.8	0	0	0	0	0	111.8	Y444 V466 F467	Y444-G495 CarbonylContact O-C 3.49Å; Y444-G495 WeakPolarHBondContact O-CA 3.29Å; V466-G495 CarbonylContact C-O 3.53Å; V466-G495 WeakPolarHBondContact CA-O 3.33Å; F467-G495 PolarHBondContact N-O 2.95Å; F467-G495 PolarHBondContact O-N 2.75Å
496	L	98.8	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	104.9	170.9	-62.3	88.3	0	0	0	108	Y444 L465 L494 V498 L517	Y444-L496 PolarHBondContact N-O 2.85Å; Y444-L496 PolarHBondContact O-N 2.86Å; L465-L496 WeakPolarHBondContact O-CA 3.41Å; L494-L496 HydrophobicContact CD2-CD1 4.1Å; L494-L496 HydrophobicContact CG-CD1 4.03Å; L496-V498 HydrophobicContact CB-CG2 4.37Å; L496-V498 PolarHBondContact O-N 2.68Å; L496-L517 HydrophobicContact CD2-CD2 4.48Å
497	L	98.8	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	100	172	-177.9	68.9	0	0	0	108.7	L407 Y441 L443 A464 L465 F467 L536 P562 F626	L407-L497 HydrophobicContact CD2-CD1 3.93Å; L407-L497 HydrophobicContact CD2-CD2 3.7Å; L407-L497 HydrophobicContact CD2-CG 4.36Å; Y441-L497 HydrophobicContact CD1-CD1 4.43Å; Y441-L497 HydrophobicContact CD1-CD2 4.25Å; Y441-L497 HydrophobicContact CD1-CG 4.1Å; L443-L497 HydrophobicContact CB-CD1 3.95Å; L443-L497 HydrophobicContact CD1-CB 4.2Å; L443-L497 HydrophobicContact CD1-CD1 4.5Å; A464-L497 VanDerWaalsContact CA-O 3.28Å; A464-L497 WeakPolarHBondContact CA-O 3.42Å; L465-L497 HydrophobicContact CB-CB 4.4Å; L465-L497 HydrophobicContact CD1-CD2 4.37Å; L465-L497 PolarHBondContact N-O 2.68Å; L465-L497 PolarHBondContact O-N 3.02Å; F467-L497 HydrophobicContact CE2-CB 3.99Å; L497-L536 HydrophobicContact CD1-CD1 3.7Å; L497-P562 HydrophobicContact CD2-CB 4.4Å; L497-P562 HydrophobicContact CD2-CG 3.73Å; L497-F626 HydrophobicContact CD2-CZ 4.31Å
498	V	98.8	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128	-176.9	-169.3	0	0	0	0	110.3	Y441 T442 Y444 I460 R463 A464 L496 L517	Y441-V498 CarbonylContact C-O 3.58Å; Y441-V498 VanDerWaalsContact CA-O 3.26Å; Y441-V498 WeakPolarHBondContact CA-O 3.2Å; T442-V498 PolarHBondContact N-O 3.49Å; T442-V498 PolarHBondContact O-N 3.33Å; Y444-V498 HydrophobicContact CD2-CB 4.49Å; Y444-V498 HydrophobicContact CD2-CG2 3.75Å; Y444-V498 HydrophobicContact CE2-CB 4.19Å; Y444-V498 HydrophobicContact CE2-CG2 3.79Å; I460-V498 HydrophobicContact CG2-CG1 4.19Å; R463-V498 CarbonylContact O-C 3.53Å; R463-V498 WeakPolarHBondContact O-CA 3.48Å; A464-V498 HydrophobicContact CB-CG2 3.9Å; L496-V498 HydrophobicContact CB-CG2 4.37Å; L496-V498 PolarHBondContact O-N 2.68Å; V498-L517 HydrophobicContact CG2-CD2 4.12Å; V498-L517 HydrophobicContact CG2-CG 4.15Å
499	E	98.6	Very high	96.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.8	173.8	-174.2	-173.4	-174.4	0	0	110.8	Y441 D462 R463 C501 K587 R599	Y441-E499 HydrophobicContact CD1-CB 3.68Å; Y441-E499 HydrophobicContact CD1-CG 3.97Å; Y441-E499 HydrophobicContact CE1-CB 3.55Å; Y441-E499 HydrophobicContact CE1-CG 3.53Å; Y441-E499 HydrophobicContact CE2-CG 4.46Å; D462-E499 PolarHBondContact N-O 3.48Å; R463-E499 PolarHBondContact O-N 2.67Å; E499-C501 VanDerWaalsContact CD-SG 3.51Å; E499-C501 PolarHBondContact OE2-SG 3.49Å; E499-K587 IonicContact OE1-NZ 2.98Å; E499-K587 PolarHBondContact OE1-NZ 3.25Å; E499-K587 WeakPolarHBondContact OE2-CE 3.35Å; E499-K587 IonicContact OE2-NZ 3.26Å; E499-K587 PolarHBondContact OE2-NZ 2.77Å; E499-R599 IonicContact OE1-CZ 3.78Å; E499-R599 IonicContact OE1-NH1 3.63Å; E499-R599 PolarHBondContact OE1-NH1 3.49Å
500	N	98.4	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.129	C	C	.	.			trans	-79.7	110.5	157.3	173.4	9.3	0	0	0	108.3	M426 S438 G440 G502 R503 K515 R599	M426-N500 HydrophobicContact CE-CB 3.76Å; M426-N500 HydrophobicContact SD-CB 3.79Å; S438-N500 PolarHBondContact O-ND2 3.19Å; G440-N500 PolarHBondContact O-N 2.89Å; G440-N500 VanDerWaalsContact O-N 3.11Å; N500-G502 VanDerWaalsContact C-N 3.29Å; N500-G502 PolarHBondContact O-N 3.43Å; N500-G502 PolarHBondContact OD1-N 2.91Å; N500-R503 PolarHBondContact ND2-NH1 2.78Å; N500-K515 HydrophobicContact CB-CB 4.02Å; N500-K515 HydrophobicContact CB-CD 4.48Å; N500-K515 HydrophobicContact CB-CG 4.14Å; N500-K515 WeakPolarHBondContact OD1-CE 3.34Å; N500-R599 PolarHBondContact O-NH1 3.43Å; N500-R599 PolarHBondContact O-NH2 2.71Å
501	C	98	Very high	96.7	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.061	11%	0.113	C	C	.	.			trans	-85.7	1.4	-178.5	-66.2	0	0	0	0	113.4	N336 P348 D462 E499	N336-C501 PolarHBondContact ND2-O 3.4Å; P348-C501 HydrophobicContact CB-CB 3.99Å; P348-C501 VanDerWaalsContact CB-O 3.3Å; P348-C501 WeakPolarHBondContact CB-O 3.37Å; P348-C501 HydrophobicContact CG-CB 4.22Å; D462-C501 HydrophobicContact CB-CB 3.97Å; D462-C501 WeakPolarHBondContact OD2-CB 3.49Å; D462-C501 PolarHBondContact OD2-N 3.31Å; E499-C501 VanDerWaalsContact CD-SG 3.51Å; E499-C501 PolarHBondContact OE2-SG 3.49Å
502	G	97.8	Very high	96.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.			trans	118.5	132.5	-173.2	0	0	0	0	0	110.6	N336 A338 N500 K515	N336-G502 WeakPolarHBondContact O-CA 3.3Å; A338-G502 WeakPolarHBondContact CB-O 3.46Å; N500-G502 VanDerWaalsContact C-N 3.29Å; N500-G502 PolarHBondContact O-N 3.43Å; N500-G502 PolarHBondContact OD1-N 2.91Å; G502-K515 PolarHBondContact O-NZ 3.3Å
503	R	98.6	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.			trans	-74.1	143.3	174.9	-69.7	-176.9	-172.5	79.4	3.9	110.4	D155 F156 A338 E427 S438 N500 N505 Q513 K515	D155-R503 PolarHBondContact OD1-N 2.86Å; D155-R503 IonicContact OD1-NH1 2.75Å; D155-R503 IonicContact OD2-NH1 3.82Å; D155-R503 PolarHBondContact OD2-NH1 2.92Å; F156-R503 HydrophobicContact CB-CB 3.74Å; F156-R503 HydrophobicContact CB-CG 4.34Å; F156-R503 HydrophobicContact CD2-CB 4.17Å; F156-R503 HydrophobicContact CG-CB 4.1Å; F156-R503 HydrophobicContact CG-CG 4.47Å; A338-R503 PolarHBondContact N-O 3.3Å; E427-R503 IonicContact OE1-CZ 2.84Å; E427-R503 IonicContact OE1-NE 3.3Å; E427-R503 PolarHBondContact OE1-NE 3.25Å; E427-R503 IonicContact OE1-NH2 3.5Å; E427-R503 PolarHBondContact OE1-NH2 3.41Å; S438-R503 VanDerWaalsContact O-CZ 3.29Å; S438-R503 PolarHBondContact O-NH1 3.17Å; S438-R503 PolarHBondContact O-NH2 3.35Å; N500-R503 PolarHBondContact ND2-NH1 2.78Å; R503-N505 PolarHBondContact O-N 3.13Å; R503-Q513 HydrophobicContact CB-CB 4.13Å; R503-Q513 HydrophobicContact CB-CG 4.47Å; R503-Q513 WeakPolarHBondContact CD-O 3.34Å; R503-Q513 HydrophobicContact CG-CB 4.04Å; R503-Q513 PolarHBondContact NE-O 2.65Å; R503-K515 HydrophobicContact CG-CD 4.42Å; R503-K515 VanDerWaalsContact CG-CE 3.45Å; R503-K515 HydrophobicContact CG-CG 4.11Å
504	V	98.2	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-56.1	132.7	171.1	174.7	0	0	0	0	108.8	A338 A340 P346 Y506 L510 Q513	A338-V504 HydrophobicContact CB-CG2 4.25Å; A338-V504 WeakPolarHBondContact O-CA 3.31Å; A340-V504 HydrophobicContact CB-CG1 4.02Å; A340-V504 HydrophobicContact CB-CG2 3.75Å; P346-V504 HydrophobicContact CB-CG2 3.73Å; P346-V504 HydrophobicContact CG-CG2 3.81Å; V504-Y506 WeakPolarHBondContact CG1-O 3.43Å; V504-L510 VanDerWaalsContact O-CD2 3.25Å; V504-L510 WeakPolarHBondContact O-CD2 3.42Å; V504-Q513 VanDerWaalsContact CB-CD 3.47Å; V504-Q513 HydrophobicContact CB-CG 4.09Å
505	N	97.8	Very high	96.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.102	C	C	.	.			trans	-112.6	-3	-174.1	66.1	72.5	0	0	0	113.9	Y149 C151 W154 G337 A338 M349 R503	Y149-N505 WeakPolarHBondContact CE2-O 3.35Å; Y149-N505 VanDerWaalsContact CZ-O 3.25Å; Y149-N505 PolarHBondContact OH-O 2.8Å; C151-N505 PolarHBondContact SG-OD1 3.03Å; W154-N505 WeakPolarHBondContact O-CB 3.36Å; G337-N505 WeakPolarHBondContact CA-ND2 3.06Å; A338-N505 PolarHBondContact N-ND2 3.45Å; A338-N505 PolarHBondContact O-N 2.92Å; A338-N505 PolarHBondContact O-ND2 2.87Å; A338-N505 VanDerWaalsContact O-ND2 3.09Å; M349-N505 VanDerWaalsContact CE-ND2 3.26Å; M349-N505 WeakPolarHBondContact CE-ND2 3.36Å; M349-N505 PolarHBondContact SD-ND2 3.16Å; M349-N505 VanDerWaalsContact SD-ND2 3.36Å; R503-N505 PolarHBondContact O-N 3.13Å
506	Y	95.6	Very high	96.6	Very high	48 Å²	48	19.5 Å²	19.5	19%	0.188	10%	0.101	C	C	.	.	S	Bend	trans	-143.9	145	-179.7	-174.1	-98.6	0	0	0	111.6	Y149 S215 V341 V504	Y149-Y506 WeakPolarHBondContact OH-CA 3.05Å; S215-Y506 WeakPolarHBondContact CB-OH 3.49Å; S215-Y506 PolarHBondContact OG-OH 2.71Å; V341-Y506 HydrophobicContact CG2-CD1 3.69Å; V341-Y506 HydrophobicContact CG2-CE1 4.07Å; V504-Y506 WeakPolarHBondContact CG1-O 3.43Å
507	G	91.4	Very high	96.6	Very high	10 Å²	10	19.5 Å²	19.5	10%	0.103	10%	0.101	C	C	.	.	S	Bend	trans	98.8	-167.6	179.3	0	0	0	0	0	114.1	Y216	Y216-G507 WeakPolarHBondContact CD2-O 3.47Å
508	T	89.9	Confident	96.5	Very high	75 Å²	75	21.9 Å²	21.9	46%	0.46	12%	0.115	S	C	.	.	S	Bend	trans	-92.9	-6.4	-166.8	53.1	0	0	0	0	114.9	Y216 K218 L510	Y216-T508 HydrophobicContact CD2-CG2 4.41Å; K218-T508 PolarHBondContact NZ-O 2.99Å; T508-L510 VanDerWaalsContact C-N 3.34Å
509	T	92.1	Very high	96.5	Very high	45 Å²	45	22.8 Å²	22.8	28%	0.276	13%	0.125	S	C	.	.			trans	-91.7	14.4	-174.5	56.9	0	0	0	0	113.9	D511 E512 Q513	T509-D511 VanDerWaalsContact C-N 3.28Å; T509-D511 PolarHBondContact O-N 2.9Å; T509-E512 WeakPolarHBondContact O-CB 2.81Å; T509-E512 PolarHBondContact O-N 3.05Å; T509-E512 VanDerWaalsContact O-N 3.13Å; T509-Q513 WeakPolarHBondContact O-CG 3.48Å; T509-Q513 PolarHBondContact O-NE2 2.98Å
510	L	95.1	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.2	-40	-179.8	-63.4	174.8	0	0	0	112.2	Y149 F156 L171 Y216 V504 T508 E512 Q513	Y149-L510 HydrophobicContact CD2-CD1 4.21Å; Y149-L510 HydrophobicContact CE2-CD1 3.7Å; Y149-L510 HydrophobicContact CE2-CD2 4.32Å; F156-L510 HydrophobicContact CD2-CD2 4.36Å; F156-L510 HydrophobicContact CE2-CB 4.18Å; F156-L510 HydrophobicContact CE2-CD2 4.48Å; F156-L510 VanDerWaalsContact CE2-O 3.27Å; F156-L510 WeakPolarHBondContact CE2-O 3.39Å; L171-L510 HydrophobicContact CD1-CB 3.73Å; Y216-L510 HydrophobicContact CD2-CD1 4.48Å; Y216-L510 HydrophobicContact CE2-CD1 4.14Å; V504-L510 VanDerWaalsContact O-CD2 3.25Å; V504-L510 WeakPolarHBondContact O-CD2 3.42Å; T508-L510 VanDerWaalsContact C-N 3.34Å; L510-E512 PolarHBondContact O-N 3.45Å; L510-E512 VanDerWaalsContact O-N 3.1Å; L510-Q513 WeakPolarHBondContact O-CB 3.22Å; L510-Q513 WeakPolarHBondContact O-CG 3.35Å; L510-Q513 PolarHBondContact O-N 3.45Å
511	D	94.8	Very high	96.4	Very high	32 Å²	32	25 Å²	25	17%	0.171	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66	-16	-177.9	-53.8	-33.7	0	0	0	113.1	L171 K218 T509 R514	L171-D511 VanDerWaalsContact CB-OD1 3.3Å; L171-D511 WeakPolarHBondContact CB-OD1 3.22Å; L171-D511 WeakPolarHBondContact CD1-OD1 3.48Å; L171-D511 VanDerWaalsContact CG-OD1 3.22Å; L171-D511 WeakPolarHBondContact CG-OD1 3.37Å; L171-D511 PolarHBondContact N-OD1 2.91Å; K218-D511 IonicContact NZ-OD2 3.66Å; T509-D511 VanDerWaalsContact C-N 3.28Å; T509-D511 PolarHBondContact O-N 2.9Å; D511-R514 PolarHBondContact O-NH1 3.4Å
512	E	94.1	Very high	96.4	Very high	133 Å²	133	26.2 Å²	26.2	62%	0.621	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-97.4	0.1	-176.6	-58.7	173.9	-169.4	0	0	112.8	T509 L510 R514	T509-E512 WeakPolarHBondContact O-CB 2.81Å; T509-E512 PolarHBondContact O-N 3.05Å; T509-E512 VanDerWaalsContact O-N 3.13Å; L510-E512 PolarHBondContact O-N 3.45Å; L510-E512 VanDerWaalsContact O-N 3.1Å; E512-R514 PolarHBondContact O-N 3.08Å
513	Q	97.1	Very high	96.5	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.051	14%	0.144	C	C	.	.			trans	-79.3	33.1	-171.6	-61.8	-54.7	-59.5	0	0	114.8	F156 L164 R503 V504 T509 L510	F156-Q513 HydrophobicContact CD2-CB 4.25Å; F156-Q513 HydrophobicContact CD2-CG 4.44Å; F156-Q513 HydrophobicContact CE2-CB 3.98Å; F156-Q513 HydrophobicContact CE2-CG 4.28Å; L164-Q513 VanDerWaalsContact CD1-C 3.42Å; L164-Q513 HydrophobicContact CD1-CB 4.13Å; L164-Q513 WeakPolarHBondContact CD1-O 3.44Å; R503-Q513 HydrophobicContact CB-CB 4.13Å; R503-Q513 HydrophobicContact CB-CG 4.47Å; R503-Q513 WeakPolarHBondContact CD-O 3.34Å; R503-Q513 HydrophobicContact CG-CB 4.04Å; R503-Q513 PolarHBondContact NE-O 2.65Å; V504-Q513 VanDerWaalsContact CB-CD 3.47Å; V504-Q513 HydrophobicContact CB-CG 4.09Å; T509-Q513 WeakPolarHBondContact O-CG 3.48Å; T509-Q513 PolarHBondContact O-NE2 2.98Å; L510-Q513 WeakPolarHBondContact O-CB 3.22Å; L510-Q513 WeakPolarHBondContact O-CG 3.35Å; L510-Q513 PolarHBondContact O-N 3.45Å
514	R	98	Very high	96.4	Very high	40 Å²	40	30 Å²	30	15%	0.151	16%	0.161	C	C	.	.			trans	-71.1	139.4	168.3	-67.5	179.9	-171.1	81.7	2.7	109.4	L164 D166 Q167 N425 E427 R461 D511 E512 V518	L164-R514 HydrophobicContact CB-CG 3.91Å; L164-R514 HydrophobicContact CD1-CG 4.12Å; L164-R514 PolarHBondContact O-NE 3.08Å; L164-R514 PolarHBondContact O-NH2 3.48Å; L164-R514 VanDerWaalsContact O-NH2 3.13Å; D166-R514 PolarHBondContact O-NH2 3.16Å; Q167-R514 PolarHBondContact O-NH2 2.8Å; N425-R514 HydrophobicContact CB-CB 4.33Å; N425-R514 WeakPolarHBondContact ND2-CD 3.38Å; E427-R514 VanDerWaalsContact OE2-CA 3.24Å; E427-R514 WeakPolarHBondContact OE2-CA 3.26Å; E427-R514 WeakPolarHBondContact OE2-CB 3.38Å; R461-R514 WeakPolarHBondContact CB-O 3.24Å; R461-R514 WeakPolarHBondContact CG-O 3.36Å; D511-R514 PolarHBondContact O-NH1 3.4Å; E512-R514 PolarHBondContact O-N 3.08Å; R514-V518 HydrophobicContact CB-CG1 3.9Å; R514-V518 VanDerWaalsContact O-CG1 3.31Å; R514-V518 WeakPolarHBondContact O-CG1 2.94Å
515	K	98.4	Very high	96.3	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	20%	0.195	C	C	.	.			trans	-116.1	165.5	-171.4	-60.4	-67.9	-174.8	166	0	112.1	N425 M426 E427 R461 D462 N500 G502 R503	N425-K515 CarbonylContact C-O 3.53Å; N425-K515 WeakPolarHBondContact CA-O 3.5Å; N425-K515 WeakPolarHBondContact CB-O 3.43Å; M426-K515 HydrophobicContact CB-CB 4.37Å; M426-K515 HydrophobicContact CG-CB 4.27Å; M426-K515 WeakPolarHBondContact CG-O 3.29Å; M426-K515 PolarHBondContact N-O 2.9Å; M426-K515 HydrophobicContact SD-CB 3.44Å; M426-K515 WeakPolarHBondContact SD-CB 3.44Å; E427-K515 PolarHBondContact OE1-N 2.84Å; E427-K515 VanDerWaalsContact OE1-N 3.09Å; E427-K515 PolarHBondContact OE2-N 2.62Å; R461-K515 HydrophobicContact CB-CD 4.09Å; D462-K515 IonicContact OD1-NZ 3.43Å; D462-K515 PolarHBondContact OD1-NZ 2.89Å; D462-K515 IonicContact OD2-NZ 3.86Å; D462-K515 PolarHBondContact OD2-NZ 2.74Å; N500-K515 HydrophobicContact CB-CB 4.02Å; N500-K515 HydrophobicContact CB-CD 4.48Å; N500-K515 HydrophobicContact CB-CG 4.14Å; N500-K515 WeakPolarHBondContact OD1-CE 3.34Å; G502-K515 PolarHBondContact O-NZ 3.3Å; R503-K515 HydrophobicContact CG-CD 4.42Å; R503-K515 VanDerWaalsContact CG-CE 3.45Å; R503-K515 HydrophobicContact CG-CG 4.11Å
516	G	98.3	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.4	-140.6	-171.8	0	0	0	0	0	112	R461	R461-G516 PolarHBondContact N-O 3.12Å; R461-G516 PolarHBondContact O-N 3.23Å
517	L	98.3	Very high	96.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.1	170.9	-67.5	-176.9	0	0	0	110.2	P423 N425 Y444 N459 I460 L496 V498 G519 V521	P423-L517 HydrophobicContact CB-CB 3.61Å; P423-L517 HydrophobicContact CB-CD1 3.98Å; P423-L517 HydrophobicContact CB-CG 4.46Å; P423-L517 HydrophobicContact CG-CB 4.48Å; P423-L517 HydrophobicContact CG-CD1 4.22Å; N425-L517 WeakPolarHBondContact CA-O 3.43Å; N425-L517 PolarHBondContact N-O 2.72Å; Y444-L517 HydrophobicContact CD1-CB 4.45Å; Y444-L517 HydrophobicContact CD1-CD1 3.78Å; Y444-L517 HydrophobicContact CD1-CG 4.25Å; Y444-L517 HydrophobicContact CD2-CD1 3.87Å; Y444-L517 HydrophobicContact CD2-CG 3.85Å; Y444-L517 HydrophobicContact CE1-CB 4.03Å; Y444-L517 HydrophobicContact CE1-CD1 4.21Å; Y444-L517 HydrophobicContact CE1-CG 4.23Å; Y444-L517 HydrophobicContact CE2-CB 4.19Å; Y444-L517 HydrophobicContact CE2-CD1 4.28Å; Y444-L517 HydrophobicContact CE2-CG 3.81Å; Y444-L517 HydrophobicContact CG-CD1 3.59Å; Y444-L517 HydrophobicContact CG-CG 4.06Å; Y444-L517 PolarHBondContact OH-N 2.74Å; Y444-L517 VanDerWaalsContact OH-N 3.12Å; N459-L517 WeakPolarHBondContact O-CA 2.84Å; I460-L517 HydrophobicContact CG1-CD2 3.55Å; L496-L517 HydrophobicContact CD2-CD2 4.48Å; V498-L517 HydrophobicContact CG2-CD2 4.12Å; V498-L517 HydrophobicContact CG2-CG 4.15Å; L517-G519 VanDerWaalsContact C-N 3.35Å; L517-V521 HydrophobicContact CD2-CG1 4.16Å
518	V	97.6	Very high	96.7	Very high	51 Å²	51	40.8 Å²	40.8	31%	0.309	23%	0.23	S	C	.	.			trans	-90.1	-0.7	-177.8	-62.4	0	0	0	0	113.9	N425 N459 R461 R514	N425-V518 HydrophobicContact CB-CG1 4.15Å; N459-V518 HydrophobicContact CB-CG2 4.24Å; N459-V518 WeakPolarHBondContact O-CG2 3.47Å; N459-V518 PolarHBondContact O-N 3.02Å; R461-V518 HydrophobicContact CB-CG1 4.26Å; R461-V518 HydrophobicContact CG-CB 4.47Å; R461-V518 HydrophobicContact CG-CG1 3.73Å; R461-V518 HydrophobicContact CG-CG2 3.86Å; R514-V518 HydrophobicContact CB-CG1 3.9Å; R514-V518 VanDerWaalsContact O-CG1 3.31Å; R514-V518 WeakPolarHBondContact O-CG1 2.94Å
519	G	97.5	Very high	97.1	Very high	20 Å²	20	41.2 Å²	41.2	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	-170.3	-172.8	-178.7	0	0	0	0	0	111.9	P423 L517	P423-G519 WeakPolarHBondContact CG-O 3.42Å; L517-G519 VanDerWaalsContact C-N 3.35Å
520	D	98.1	Very high	97.4	Very high	48 Å²	48	40.8 Å²	40.8	26%	0.257	23%	0.228	S	C	.	.			trans	-68.8	146.7	-176.6	-82.8	-16.5	0	0	0	112.6	N459 V527 R529	N459-D520 PolarHBondContact ND2-N 2.85Å; N459-D520 PolarHBondContact ND2-O 2.92Å; D520-V527 HydrophobicContact CB-CG1 3.53Å; D520-V527 VanDerWaalsContact CG-CG1 3.46Å; D520-V527 WeakPolarHBondContact OD2-CG1 3.45Å; D520-R529 IonicContact OD1-CZ 3.69Å; D520-R529 IonicContact OD1-NH1 2.81Å; D520-R529 PolarHBondContact OD1-NH1 3.08Å; D520-R529 IonicContact OD1-NH2 3.85Å; D520-R529 IonicContact OD2-CZ 3.72Å; D520-R529 IonicContact OD2-NH1 2.72Å; D520-R529 PolarHBondContact OD2-NH1 2.87Å; D520-R529 IonicContact OD2-NH2 2.69Å; D520-R529 PolarHBondContact OD2-NH2 3.45Å
521	V	98.1	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.228	C	C	.	.			trans	-120.3	148.4	171.1	-64.2	0	0	0	0	109.3	L517 L528 F531	L517-V521 HydrophobicContact CD2-CG1 4.16Å; V521-L528 HydrophobicContact CG2-CB 4.22Å; V521-L528 HydrophobicContact CG2-CD1 4.01Å; V521-L528 PolarHBondContact O-N 3.22Å; V521-F531 HydrophobicContact CG2-CZ 3.86Å
522	E	98.4	Very high	97.7	Very high	33 Å²	33	42.2 Å²	42.2	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.2	-170.6	-70.5	175.9	-166.7	0	0	112.3	L454 N455 K457 N526 V527	L454-E522 CarbonylContact C-O 3.57Å; L454-E522 WeakPolarHBondContact CA-O 3.39Å; L454-E522 WeakPolarHBondContact CD1-O 3.45Å; N455-E522 PolarHBondContact N-O 2.84Å; N455-E522 PolarHBondContact O-N 2.74Å; K457-E522 WeakPolarHBondContact CE-OE1 3.01Å; K457-E522 WeakPolarHBondContact CE-OE2 3.39Å; K457-E522 IonicContact NZ-OE1 3.69Å; K457-E522 IonicContact NZ-OE2 3.85Å; K457-E522 PolarHBondContact NZ-OE2 3.12Å; E522-N526 CarbonylContact C-O 3.55Å; E522-N526 VanDerWaalsContact CA-O 3.24Å; E522-N526 WeakPolarHBondContact CA-O 3.26Å; E522-V527 HydrophobicContact CG-CB 4.46Å; E522-V527 HydrophobicContact CG-CG2 4.1Å
523	L	98.3	Very high	97.9	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.9	166.1	-178.7	65.8	0	0	0	108.9	I448 T453 L454 I485 S525 N526 L528	I448-L523 HydrophobicContact CB-CD2 3.99Å; I448-L523 HydrophobicContact CD1-CD2 4.38Å; I448-L523 HydrophobicContact CG2-CD2 3.79Å; T453-L523 WeakPolarHBondContact O-CA 3.4Å; L454-L523 HydrophobicContact CB-CD1 4.37Å; I485-L523 HydrophobicContact CB-CD1 4.27Å; I485-L523 HydrophobicContact CG1-CD1 4.03Å; L523-S525 VanDerWaalsContact C-N 3.26Å; L523-S525 PolarHBondContact O-N 3.3Å; L523-N526 PolarHBondContact N-O 3.43Å; L523-N526 WeakPolarHBondContact O-CB 3.37Å; L523-N526 PolarHBondContact O-N 3.37Å; L523-L528 HydrophobicContact CB-CD1 4.39Å; L523-L528 HydrophobicContact CB-CD2 3.85Å; L523-L528 HydrophobicContact CB-CG 4.3Å
524	N	96.9	Very high	98	Very high	68 Å²	68	36.3 Å²	36.3	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.1	-174.8	-59.2	-37.3	0	0	0	112.8	G451 G452 T453 N526	G451-N524 PolarHBondContact O-ND2 3.38Å; G452-N524 VanDerWaalsContact CA-OD1 3.24Å; G452-N524 WeakPolarHBondContact CA-OD1 3.46Å; T453-N524 PolarHBondContact N-OD1 3.49Å; T453-N524 PolarHBondContact O-N 3.28Å; N524-N526 PolarHBondContact O-N 2.87Å; N524-N526 VanDerWaalsContact O-N 3.15Å; N524-N526 PolarHBondContact O-ND2 2.83Å
525	S	96.3	Very high	97.9	Very high	100 Å²	100	35.5 Å²	35.5	70%	0.699	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	7.1	-174.7	-46.2	0	0	0	0	115.7	L523	L523-S525 VanDerWaalsContact C-N 3.26Å; L523-S525 PolarHBondContact O-N 3.3Å
526	N	97.5	Very high	97.7	Very high	115 Å²	115	35.6 Å²	35.6	62%	0.615	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.2	171.9	-62.5	-62.3	0	0	0	109.5	E522 L523 N524 L528	E522-N526 CarbonylContact C-O 3.55Å; E522-N526 VanDerWaalsContact CA-O 3.24Å; E522-N526 WeakPolarHBondContact CA-O 3.26Å; L523-N526 PolarHBondContact N-O 3.43Å; L523-N526 WeakPolarHBondContact O-CB 3.37Å; L523-N526 PolarHBondContact O-N 3.37Å; N524-N526 PolarHBondContact O-N 2.87Å; N524-N526 VanDerWaalsContact O-N 3.15Å; N524-N526 PolarHBondContact O-ND2 2.83Å; N526-L528 PolarHBondContact O-N 2.7Å
527	V	98.3	Very high	97.4	Very high	55 Å²	55	37 Å²	37	33%	0.333	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.9	-178.8	-161.5	0	0	0	0	111.1	D520 E522	D520-V527 HydrophobicContact CB-CG1 3.53Å; D520-V527 VanDerWaalsContact CG-CG1 3.46Å; D520-V527 WeakPolarHBondContact OD2-CG1 3.45Å; E522-V527 HydrophobicContact CG-CB 4.46Å; E522-V527 HydrophobicContact CG-CG2 4.1Å
528	L	98.4	Very high	97.1	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.084	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-76.1	146	177.6	-62.2	-179.9	0	0	0	111.6	T446 I448 L454 L494 V521 L523 N526 F531	T446-L528 HydrophobicContact CG2-CB 4.36Å; T446-L528 HydrophobicContact CG2-CD1 4.11Å; I448-L528 HydrophobicContact CG2-CD2 4.07Å; L454-L528 HydrophobicContact CD1-CD1 3.98Å; L494-L528 HydrophobicContact CD2-CD1 3.54Å; V521-L528 HydrophobicContact CG2-CB 4.22Å; V521-L528 HydrophobicContact CG2-CD1 4.01Å; V521-L528 PolarHBondContact O-N 3.22Å; L523-L528 HydrophobicContact CB-CD1 4.39Å; L523-L528 HydrophobicContact CB-CD2 3.85Å; L523-L528 HydrophobicContact CB-CG 4.3Å; N526-L528 PolarHBondContact O-N 2.7Å; L528-F531 HydrophobicContact CB-CE2 4.28Å; L528-F531 HydrophobicContact CB-CZ 3.9Å
529	R	98.2	Very high	96.8	Very high	84 Å²	84	38.7 Å²	38.7	32%	0.317	22%	0.219	S	C	.	.			trans	-141.5	173.2	-173.5	-62.5	-67.1	172.6	-120.3	10.1	111.2	E421 T446 D520	E421-R529 VanDerWaalsContact O-CA 3.28Å; E421-R529 WeakPolarHBondContact O-CA 3.19Å; E421-R529 WeakPolarHBondContact O-CD 3.31Å; T446-R529 PolarHBondContact OG1-O 3.35Å; D520-R529 IonicContact OD1-CZ 3.69Å; D520-R529 IonicContact OD1-NH1 2.81Å; D520-R529 PolarHBondContact OD1-NH1 3.08Å; D520-R529 IonicContact OD1-NH2 3.85Å; D520-R529 IonicContact OD2-CZ 3.72Å; D520-R529 IonicContact OD2-NH1 2.72Å; D520-R529 PolarHBondContact OD2-NH1 2.87Å; D520-R529 IonicContact OD2-NH2 2.69Å; D520-R529 PolarHBondContact OD2-NH2 3.45Å
530	G	97.9	Very high	96.3	Very high	37 Å²	37	41.6 Å²	41.6	38%	0.381	23%	0.234	S	C	.	.			trans	63.2	53.4	172.7	0	0	0	0	0	113.4	S420 E421	S420-G530 CarbonylContact O-C 3.45Å; E421-G530 PolarHBondContact O-N 2.86Å
531	F	98.6	Very high	95.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	139.7	179.9	-72.3	-88.1	0	0	0	112.8	K419 S420 P423 E445 T446 V521 L528 I533	K419-F531 CarbonylContact C-O 3.53Å; K419-F531 WeakPolarHBondContact CA-O 3.47Å; S420-F531 PolarHBondContact N-O 3.33Å; S420-F531 PolarHBondContact O-N 3.43Å; P423-F531 HydrophobicContact CG-CD2 4.02Å; P423-F531 HydrophobicContact CG-CE2 3.57Å; P423-F531 HydrophobicContact CG-CZ 3.86Å; E445-F531 CarbonylContact O-C 3.49Å; E445-F531 VanDerWaalsContact O-CA 3.25Å; E445-F531 WeakPolarHBondContact O-CA 3.48Å; T446-F531 HydrophobicContact CG2-CD1 4.36Å; T446-F531 HydrophobicContact CG2-CE1 3.85Å; T446-F531 HydrophobicContact CG2-CZ 4.2Å; V521-F531 HydrophobicContact CG2-CZ 3.86Å; L528-F531 HydrophobicContact CB-CE2 4.28Å; L528-F531 HydrophobicContact CB-CZ 3.9Å; F531-I533 HydrophobicContact CB-CD1 4.41Å; F531-I533 HydrophobicContact CB-CG1 4.07Å
532	I	98.3	Very high	95.4	Very high	61 Å²	61	42.8 Å²	42.8	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	160.9	-57.2	178.9	0	0	0	106.6	P417 F418 K419 E445	P417-I532 HydrophobicContact CB-CG2 3.61Å; P417-I532 HydrophobicContact CG-CG2 4.17Å; F418-I532 CarbonylContact O-C 3.53Å; F418-I532 WeakPolarHBondContact O-CA 3.34Å; K419-I532 HydrophobicContact CG-CG1 4.41Å; E445-I532 HydrophobicContact CB-CB 4.4Å; E445-I532 PolarHBondContact N-O 3.23Å; E445-I532 PolarHBondContact O-N 3.3Å
533	I	98.4	Very high	95	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.3	-171.3	-47.8	175.8	0	0	0	109.4	P417 F418 I424 L429 T442 L443 Y444 F531	P417-I533 WeakPolarHBondContact CA-O 3.4Å; F418-I533 HydrophobicContact CD1-CD1 4.44Å; F418-I533 PolarHBondContact N-O 3.15Å; F418-I533 PolarHBondContact O-N 2.72Å; I424-I533 HydrophobicContact CB-CD1 4.12Å; I424-I533 HydrophobicContact CG1-CD1 4.37Å; L429-I533 HydrophobicContact CD1-CG2 4.45Å; L429-I533 HydrophobicContact CD2-CD1 4.34Å; L429-I533 HydrophobicContact CD2-CG2 3.86Å; T442-I533 HydrophobicContact CG2-CG2 3.5Å; L443-I533 CarbonylContact O-C 3.59Å; L443-I533 WeakPolarHBondContact O-CA 3.49Å; Y444-I533 HydrophobicContact CD1-CB 4.43Å; Y444-I533 HydrophobicContact CD1-CD1 3.9Å; Y444-I533 HydrophobicContact CD1-CG1 3.77Å; Y444-I533 HydrophobicContact CD1-CG2 3.91Å; Y444-I533 HydrophobicContact CE1-CD1 3.84Å; Y444-I533 HydrophobicContact CE1-CG1 4.13Å; Y444-I533 HydrophobicContact CE1-CG2 3.8Å; Y444-I533 HydrophobicContact CG-CG2 4.49Å; F531-I533 HydrophobicContact CB-CD1 4.41Å; F531-I533 HydrophobicContact CB-CG1 4.07Å
534	H	97.4	Very high	94.5	Very high	16 Å²	16	44.1 Å²	44.1	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127	174.7	-64.7	-103.2	0	0	0	110.5	L411 P417 T442 L443 E445	L411-H534 HydrophobicContact CD2-CB 4.13Å; P417-H534 VanDerWaalsContact CB-CE1 3.46Å; P417-H534 WeakPolarHBondContact CB-CE1 3.39Å; T442-H534 WeakPolarHBondContact CA-O 3.41Å; L443-H534 HydrophobicContact CB-CB 4.21Å; L443-H534 PolarHBondContact N-O 2.79Å; L443-H534 PolarHBondContact O-N 2.81Å; E445-H534 IonicContact OE2-NE2 2.95Å
535	S	96.2	Very high	94.1	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.3	172.8	-173.8	0	0	0	0	110.3	Q437	Q437-S535 PolarHBondContact OE1-OG 3.49Å
536	L	95.7	Very high	93.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	67.1	176.9	-59	156.1	0	0	0	108.9	L407 L411 T414 Q437 Y441 L443 L497 M538 F542	L407-L536 HydrophobicContact CD1-CD1 3.66Å; L407-L536 HydrophobicContact CD1-CD2 4.06Å; L411-L536 HydrophobicContact CD2-CD2 4.09Å; T414-L536 HydrophobicContact CG2-CD2 3.62Å; Q437-L536 PolarHBondContact NE2-O 3.42Å; Y441-L536 PolarHBondContact N-O 2.88Å; Y441-L536 CarbonylContact O-C 3.57Å; Y441-L536 WeakPolarHBondContact O-CA 3.44Å; Y441-L536 VanDerWaalsContact O-CB 3.26Å; Y441-L536 WeakPolarHBondContact O-CB 3.24Å; Y441-L536 PolarHBondContact O-N 2.75Å; L443-L536 HydrophobicContact CB-CD1 4.36Å; L497-L536 HydrophobicContact CD1-CD1 3.7Å; L536-M538 HydrophobicContact CB-CE 4Å; L536-M538 HydrophobicContact CB-SD 4.45Å; L536-M538 PolarHBondContact O-N 3.23Å; L536-F542 HydrophobicContact CD2-CZ 4.3Å
537	D	90.9	Very high	92.8	Very high	29 Å²	29	36.5 Å²	36.5	16%	0.155	21%	0.212	C	C	.	.			trans	-71.8	-9.2	-179.9	69.7	6.7	0	0	0	113.9	N432 Q437 Y439 K539	N432-D537 PolarHBondContact ND2-OD2 3.28Å; N432-D537 PolarHBondContact OD1-OD2 3.4Å; Q437-D537 HydrophobicContact CG-CB 4.05Å; Y439-D537 WeakPolarHBondContact O-CA 3.22Å; D537-K539 PolarHBondContact O-N 2.68Å; D537-K539 WeakPolarHBondContact OD1-CB 3.42Å; D537-K539 WeakPolarHBondContact OD1-CG 3.23Å; D537-K539 PolarHBondContact OD1-N 3.44Å; D537-K539 WeakPolarHBondContact OD2-CD 3.45Å; D537-K539 WeakPolarHBondContact OD2-CE 3.09Å; D537-K539 WeakPolarHBondContact OD2-CG 3.29Å; D537-K539 IonicContact OD2-NZ 2.86Å
538	M	92.6	Very high	91.8	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.03	23%	0.231	C	C	.	.			trans	51.6	34.9	-178.8	-45.8	-67.1	-172.1	0	0	113.2	F334 Y441 L536 F542 F564 F591 F626	F334-M538 HydrophobicContact CE2-CB 3.91Å; F334-M538 HydrophobicContact CE2-CG 4.1Å; F334-M538 HydrophobicContact CZ-CB 4.25Å; F334-M538 HydrophobicContact CZ-CG 4.04Å; Y441-M538 HydrophobicContact CD2-CE 3.83Å; Y441-M538 HydrophobicContact CE2-CE 4.44Å; L536-M538 HydrophobicContact CB-CE 4Å; L536-M538 HydrophobicContact CB-SD 4.45Å; L536-M538 PolarHBondContact O-N 3.23Å; M538-F542 HydrophobicContact SD-CD1 3.95Å; M538-F542 HydrophobicContact SD-CE1 3.49Å; M538-F542 WeakPolarHBondContact SD-CE1 3.38Å; M538-F542 HydrophobicContact SD-CZ 4.46Å; M538-F564 HydrophobicContact CE-CE1 4.37Å; M538-F564 HydrophobicContact CE-CZ 3.85Å; M538-F564 HydrophobicContact SD-CE1 4.06Å; M538-F564 HydrophobicContact SD-CZ 3.83Å; M538-F591 HydrophobicContact CB-CE1 4.47Å; M538-F591 HydrophobicContact CB-CZ 4.01Å; M538-F626 HydrophobicContact CE-CD1 4.2Å; M538-F626 HydrophobicContact CE-CD2 4.34Å; M538-F626 HydrophobicContact CE-CE1 4.21Å; M538-F626 HydrophobicContact CE-CE2 4.34Å; M538-F626 HydrophobicContact CE-CG 4.26Å; M538-F626 HydrophobicContact CE-CZ 4.27Å
539	K	90.2	Very high	90.9	Very high	83 Å²	83	40.2 Å²	40.2	36%	0.361	24%	0.236	S	C	.	.			trans	-56.7	153.5	173.5	-80.9	178.7	-178.6	-175.1	0	111.2	E116 N432 D537 G541 F542 V543	E116-K539 IonicContact OE1-NZ 3.94Å; N432-K539 PolarHBondContact OD1-NZ 2.83Å; D537-K539 PolarHBondContact O-N 2.68Å; D537-K539 WeakPolarHBondContact OD1-CB 3.42Å; D537-K539 WeakPolarHBondContact OD1-CG 3.23Å; D537-K539 PolarHBondContact OD1-N 3.44Å; D537-K539 WeakPolarHBondContact OD2-CD 3.45Å; D537-K539 WeakPolarHBondContact OD2-CE 3.09Å; D537-K539 WeakPolarHBondContact OD2-CG 3.29Å; D537-K539 IonicContact OD2-NZ 2.86Å; K539-G541 PolarHBondContact O-N 3.41Å; K539-G541 VanDerWaalsContact O-N 3.09Å; K539-F542 WeakPolarHBondContact O-CB 3.43Å; K539-F542 PolarHBondContact O-N 3.15Å; K539-V543 PolarHBondContact O-N 3.47Å; K539-V543 VanDerWaalsContact O-N 3.1Å
540	P	87.9	Confident	89.8	Confident	81 Å²	81	40.1 Å²	40.1	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-51.9	-36.9	178.4	-28.6	35.3	0	0	0	113.7	F542 V543 N544	P540-F542 PolarHBondContact O-N 3.07Å; P540-V543 PolarHBondContact O-N 2.93Å; P540-N544 VanDerWaalsContact O-CB 3.25Å; P540-N544 WeakPolarHBondContact O-CB 3.44Å; P540-N544 PolarHBondContact O-N 2.84Å; P540-N544 PolarHBondContact O-ND2 2.84Å; P540-N544 VanDerWaalsContact O-ND2 3.15Å
541	G	87.6	Confident	89.3	Confident	54 Å²	54	40.6 Å²	40.6	56%	0.557	26%	0.259	S	S	*	.	H	α-helix	trans	-59.5	-44.8	175.4	0	0	0	0	0	113.2	K539 S545	K539-G541 PolarHBondContact O-N 3.41Å; K539-G541 VanDerWaalsContact O-N 3.09Å; G541-S545 WeakPolarHBondContact O-CB 3.43Å; G541-S545 PolarHBondContact O-N 3.2Å
542	F	89.9	Confident	89	Confident	20 Å²	20	41.9 Å²	41.9	9%	0.088	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-51.9	175.2	168.6	-100.4	0	0	0	110.9	T414 L536 M538 K539 P540 N544 S545 L546 F564	T414-F542 HydrophobicContact CG2-CD2 4.07Å; T414-F542 HydrophobicContact CG2-CE2 3.53Å; T414-F542 HydrophobicContact CG2-CZ 4.31Å; L536-F542 HydrophobicContact CD2-CZ 4.3Å; M538-F542 HydrophobicContact SD-CD1 3.95Å; M538-F542 HydrophobicContact SD-CE1 3.49Å; M538-F542 WeakPolarHBondContact SD-CE1 3.38Å; M538-F542 HydrophobicContact SD-CZ 4.46Å; K539-F542 WeakPolarHBondContact O-CB 3.43Å; K539-F542 PolarHBondContact O-N 3.15Å; P540-F542 PolarHBondContact O-N 3.07Å; F542-N544 VanDerWaalsContact C-N 3.3Å; F542-N544 PolarHBondContact O-N 3.13Å; F542-S545 WeakPolarHBondContact O-CB 3.5Å; F542-S545 PolarHBondContact O-N 2.88Å; F542-S545 PolarHBondContact O-OG 2.9Å; F542-L546 HydrophobicContact CE1-CD1 3.94Å; F542-L546 HydrophobicContact CE1-CD2 4.33Å; F542-L546 HydrophobicContact CE1-CG 4.3Å; F542-L546 HydrophobicContact CE2-CD2 3.92Å; F542-L546 HydrophobicContact CZ-CD1 4.16Å; F542-L546 HydrophobicContact CZ-CD2 3.79Å; F542-L546 HydrophobicContact CZ-CG 4.26Å; F542-L546 PolarHBondContact O-N 2.84Å; F542-L546 VanDerWaalsContact O-N 3.16Å; F542-F564 HydrophobicContact CE1-CE1 4.1Å; F542-F564 AromaticContact CE1-CZ 3.69Å; F542-F564 HydrophobicContact CE1-CZ 3.69Å; F542-F564 HydrophobicContact CZ-CE2 4.37Å; F542-F564 AromaticContact CZ-CZ 3.95Å; F542-F564 HydrophobicContact CZ-CZ 3.95Å
543	V	89.9	Confident	88.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-41.5	-178.4	179.7	0	0	0	0	111.5	K539 P540 L546 F591	K539-V543 PolarHBondContact O-N 3.47Å; K539-V543 VanDerWaalsContact O-N 3.1Å; P540-V543 PolarHBondContact O-N 2.93Å; V543-L546 WeakPolarHBondContact O-CB 3.46Å; V543-L546 PolarHBondContact O-N 2.95Å; V543-F591 HydrophobicContact CG1-CB 4.29Å; V543-F591 HydrophobicContact CG1-CD1 4.06Å; V543-F591 HydrophobicContact CG1-CD2 4.44Å; V543-F591 HydrophobicContact CG1-CG 4.01Å; V543-F591 HydrophobicContact CG2-CD1 3.93Å; V543-F591 HydrophobicContact CG2-CE1 3.61Å; V543-F591 HydrophobicContact CG2-CE2 4.45Å; V543-F591 HydrophobicContact CG2-CG 4.49Å; V543-F591 HydrophobicContact CG2-CZ 3.91Å
544	N	87.4	Confident	88.6	Confident	70 Å²	70	42.8 Å²	42.8	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-36.3	175.9	-69.8	-23.1	0	0	0	112.1	P540 F542 L546 Q547	P540-N544 VanDerWaalsContact O-CB 3.25Å; P540-N544 WeakPolarHBondContact O-CB 3.44Å; P540-N544 PolarHBondContact O-N 2.84Å; P540-N544 PolarHBondContact O-ND2 2.84Å; P540-N544 VanDerWaalsContact O-ND2 3.15Å; F542-N544 VanDerWaalsContact C-N 3.3Å; F542-N544 PolarHBondContact O-N 3.13Å; N544-L546 PolarHBondContact O-N 3.25Å; N544-Q547 WeakPolarHBondContact O-CB 3.45Å; N544-Q547 VanDerWaalsContact O-CG 3.3Å; N544-Q547 WeakPolarHBondContact O-CG 3.42Å; N544-Q547 PolarHBondContact O-N 3.27Å; N544-Q547 VanDerWaalsContact O-N 3.17Å
545	S	88.5	Confident	88.4	Confident	35 Å²	35	44.5 Å²	44.5	25%	0.245	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-31.9	177.1	79.4	0	0	0	0	112.4	S413 G541 F542 Q547 T548	S413-S545 WeakPolarHBondContact CB-OG 3.36Å; G541-S545 WeakPolarHBondContact O-CB 3.43Å; G541-S545 PolarHBondContact O-N 3.2Å; F542-S545 WeakPolarHBondContact O-CB 3.5Å; F542-S545 PolarHBondContact O-N 2.88Å; F542-S545 PolarHBondContact O-OG 2.9Å; S545-Q547 PolarHBondContact O-N 2.85Å; S545-T548 PolarHBondContact O-N 2.77Å; S545-T548 PolarHBondContact O-OG1 2.71Å
546	L	88.4	Confident	88	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-34.3	176.3	-59.4	-176.5	0	0	0	111.1	L405 F542 V543 N544 T548 T549 W552 F564	L405-L546 HydrophobicContact CD2-CD2 3.95Å; F542-L546 HydrophobicContact CE1-CD1 3.94Å; F542-L546 HydrophobicContact CE1-CD2 4.33Å; F542-L546 HydrophobicContact CE1-CG 4.3Å; F542-L546 HydrophobicContact CE2-CD2 3.92Å; F542-L546 HydrophobicContact CZ-CD1 4.16Å; F542-L546 HydrophobicContact CZ-CD2 3.79Å; F542-L546 HydrophobicContact CZ-CG 4.26Å; F542-L546 PolarHBondContact O-N 2.84Å; F542-L546 VanDerWaalsContact O-N 3.16Å; V543-L546 WeakPolarHBondContact O-CB 3.46Å; V543-L546 PolarHBondContact O-N 2.95Å; N544-L546 PolarHBondContact O-N 3.25Å; L546-T548 PolarHBondContact O-N 2.9Å; L546-T548 VanDerWaalsContact O-N 3.15Å; L546-T549 WeakPolarHBondContact O-CG2 3.38Å; L546-T549 PolarHBondContact O-N 2.66Å; L546-W552 HydrophobicContact CB-CZ2 4.13Å; L546-W552 PolarHBondContact O-NE1 2.91Å; L546-F564 HydrophobicContact CD1-CB 4.45Å; L546-F564 HydrophobicContact CD1-CD1 3.48Å; L546-F564 VanDerWaalsContact CD1-CD1 3.48Å; L546-F564 HydrophobicContact CD1-CD2 4.09Å; L546-F564 HydrophobicContact CD1-CE1 3.6Å; L546-F564 HydrophobicContact CD1-CE2 4.22Å; L546-F564 HydrophobicContact CD1-CG 3.73Å; L546-F564 HydrophobicContact CD1-CZ 3.98Å
547	Q	78.8	Confident	87.8	Confident	86 Å²	86	57 Å²	57	40%	0.402	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.3	-179.7	-50.3	-176.4	-7.2	0	0	113.7	N544 S545 Q622	N544-Q547 WeakPolarHBondContact O-CB 3.45Å; N544-Q547 VanDerWaalsContact O-CG 3.3Å; N544-Q547 WeakPolarHBondContact O-CG 3.42Å; N544-Q547 PolarHBondContact O-N 3.27Å; N544-Q547 VanDerWaalsContact O-N 3.17Å; S545-Q547 PolarHBondContact O-N 2.85Å; Q547-Q622 VanDerWaalsContact CG-NE2 3.35Å; Q547-Q622 VanDerWaalsContact NE2-CD 3.27Å
548	T	76.4	Confident	87.7	Confident	121 Å²	121	64.4 Å²	64.4	74%	0.742	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.6	-174.8	63.5	0	0	0	0	113.1	S545 L546	S545-T548 PolarHBondContact O-N 2.77Å; S545-T548 PolarHBondContact O-OG1 2.71Å; L546-T548 PolarHBondContact O-N 2.9Å; L546-T548 VanDerWaalsContact O-N 3.15Å
549	T	80.2	Confident	87.7	Confident	28 Å²	28	65.3 Å²	65.3	17%	0.172	38%	0.378	C	S	.	.			trans	-70.8	137.4	178.1	-170.4	0	0	0	0	110.9	L405 L546 S551	L405-T549 HydrophobicContact CD1-CG2 4.34Å; L405-T549 HydrophobicContact CD2-CG2 3.76Å; L546-T549 WeakPolarHBondContact O-CG2 3.38Å; L546-T549 PolarHBondContact O-N 2.66Å; T549-S551 PolarHBondContact O-N 2.84Å; T549-S551 PolarHBondContact OG1-N 2.97Å; T549-S551 PolarHBondContact OG1-OG 3.05Å
550	G	74.6	Confident	87.8	Confident	83 Å²	83	63.9 Å²	63.9	86%	0.856	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	0.4	173.6	0	0	0	0	0	113.7
551	S	86.9	Confident	88.2	Confident	47 Å²	47	62.5 Å²	62.5	33%	0.329	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4	-171	-53.7	0	0	0	0	114.7	L405 T549 V553	L405-S551 WeakPolarHBondContact CD1-O 3.48Å; T549-S551 PolarHBondContact O-N 2.84Å; T549-S551 PolarHBondContact OG1-N 2.97Å; T549-S551 PolarHBondContact OG1-OG 3.05Å; S551-V553 PolarHBondContact O-N 2.78Å
552	W	93.3	Very high	88.7	Confident	27 Å²	27	60 Å²	60	10%	0.102	34%	0.337	C	S	.	.			trans	-67.4	127.3	175.8	-73.7	95.7	0	0	0	111.3	Q403 H404 L405 L546 F564 Q566	Q403-W552 HydrophobicContact CB-CB 4.15Å; Q403-W552 HydrophobicContact CB-CD2 4.49Å; Q403-W552 HydrophobicContact CB-CE3 3.86Å; H404-W552 VanDerWaalsContact C-CE3 3.43Å; L405-W552 HydrophobicContact CB-CD2 3.93Å; L405-W552 HydrophobicContact CB-CE3 3.72Å; L405-W552 HydrophobicContact CB-CH2 4.08Å; L405-W552 HydrophobicContact CB-CZ2 4.27Å; L405-W552 HydrophobicContact CB-CZ3 3.81Å; L405-W552 HydrophobicContact CD2-CZ2 4.22Å; L546-W552 HydrophobicContact CB-CZ2 4.13Å; L546-W552 PolarHBondContact O-NE1 2.91Å; W552-F564 HydrophobicContact CH2-CB 3.76Å; W552-F564 HydrophobicContact CZ3-CB 4.29Å; W552-F564 WeakPolarHBondContact CZ3-O 3.41Å; W552-Q566 HydrophobicContact CE3-CB 4.16Å; W552-Q566 HydrophobicContact CH2-CB 3.71Å; W552-Q566 HydrophobicContact CZ2-CB 4.34Å; W552-Q566 HydrophobicContact CZ3-CB 3.59Å
553	V	94.1	Very high	89	Confident	34 Å²	34	59 Å²	59	21%	0.206	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.2	-179.2	-176.7	0	0	0	0	109.6	Q403 H404 S551 Q557	Q403-V553 CarbonylContact C-O 3.49Å; Q403-V553 WeakPolarHBondContact CA-O 3.28Å; Q403-V553 WeakPolarHBondContact CB-O 3.32Å; H404-V553 PolarHBondContact CD2-O 2.82Å; H404-V553 PolarHBondContact N-O 2.86Å; H404-V553 PolarHBondContact O-N 2.66Å; S551-V553 PolarHBondContact O-N 2.78Å; V553-Q557 HydrophobicContact CG1-CB 3.75Å; V553-Q557 HydrophobicContact CG1-CG 3.92Å
554	P	94.3	Very high	89.4	Confident	51 Å²	51	59 Å²	59	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	144.8	175.6	-22.7	34.6	0	0	0	113.4	Q556 Q557	P554-Q556 PolarHBondContact O-N 2.83Å; P554-Q557 PolarHBondContact O-N 2.89Å
555	M	92.2	Very high	89.8	Confident	52 Å²	52	55.7 Å²	55.7	26%	0.256	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.5	-179.3	-74.1	-63.4	-64.6	0	0	115.7	V401 Q402 H404 Q557 F565	V401-M555 HydrophobicContact CB-CG 4.32Å; V401-M555 HydrophobicContact CG1-CE 4.4Å; V401-M555 HydrophobicContact CG1-CG 3.82Å; V401-M555 HydrophobicContact CG1-SD 3.77Å; V401-M555 WeakPolarHBondContact O-CG 3.36Å; Q402-M555 PolarHBondContact O-N 3.23Å; Q402-M555 VanDerWaalsContact O-N 3.16Å; H404-M555 HydrophobicContact CB-SD 4Å; M555-Q557 PolarHBondContact O-N 2.82Å; M555-F565 HydrophobicContact CE-CD1 4.32Å; M555-F565 HydrophobicContact CE-CE1 4.16Å; M555-F565 HydrophobicContact SD-CD1 3.82Å; M555-F565 HydrophobicContact SD-CE1 3.94Å
556	Q	89.3	Confident	90.1	Very high	169 Å²	169	55.2 Å²	55.2	79%	0.79	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.6	168.7	-65.3	83.4	-2.1	0	0	112.4	P554	P554-Q556 PolarHBondContact O-N 2.83Å
557	Q	89.8	Confident	90.4	Very high	119 Å²	119	55.1 Å²	55.1	56%	0.556	31%	0.309	S	S	*	.	S	Bend	trans	-93	145	172.7	-58.9	-175.5	39.2	0	0	109.5	H404 V553 P554 M555	H404-Q557 PolarHBondContact NE2-O 3.12Å; V553-Q557 HydrophobicContact CG1-CB 3.75Å; V553-Q557 HydrophobicContact CG1-CG 3.92Å; P554-Q557 PolarHBondContact O-N 2.89Å; M555-Q557 PolarHBondContact O-N 2.82Å
558	Q	89.8	Confident	91.3	Very high	184 Å²	184	55.8 Å²	55.8	86%	0.86	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-70.8	125.9	-179.5	-171.4	174	3.6	0	0	109.8
559	P	92	Very high	92.3	Very high	25 Å²	25	50.1 Å²	50.1	16%	0.162	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-68.5	145.8	177.9	27.8	-34.4	0	0	0	111.6	H404 F561 F565	H404-P559 HydrophobicContact CB-CB 4.33Å; P559-F561 HydrophobicContact CB-CE2 4.41Å; P559-F561 HydrophobicContact CB-CZ 4.4Å; P559-F561 HydrophobicContact CG-CE2 3.87Å; P559-F561 HydrophobicContact CG-CZ 3.82Å; P559-F565 HydrophobicContact CB-CE1 3.89Å; P559-F565 HydrophobicContact CB-CZ 3.84Å; P559-F565 HydrophobicContact CG-CE1 3.99Å; P559-F565 HydrophobicContact CG-CZ 4.05Å
560	S	92.6	Very high	93.1	Very high	53 Å²	53	55.7 Å²	55.7	37%	0.371	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-97.3	126.1	165.1	173.1	0	0	0	0	108.4	A563	S560-A563 WeakPolarHBondContact O-CB 3.47Å
561	F	95.9	Very high	94.2	Very high	52 Å²	52	51.8 Å²	51.8	23%	0.228	25%	0.254	C	S	.	.	S	Bend	trans	-95.3	148.3	-176.2	-67.2	-86.5	0	0	0	112.5	W408 P559 F565 E627 Q629 A631	W408-F561 WeakPolarHBondContact CH2-O 3.15Å; W408-F561 WeakPolarHBondContact CZ3-O 3.22Å; P559-F561 HydrophobicContact CB-CE2 4.41Å; P559-F561 HydrophobicContact CB-CZ 4.4Å; P559-F561 HydrophobicContact CG-CE2 3.87Å; P559-F561 HydrophobicContact CG-CZ 3.82Å; F561-F565 HydrophobicContact CD1-CE2 4.3Å; F561-F565 HydrophobicContact CD1-CZ 4.26Å; F561-F565 AromaticContact CE1-CE2 3.75Å; F561-F565 HydrophobicContact CE1-CE2 3.75Å; F561-F565 AromaticContact CE1-CZ 3.48Å; F561-F565 HydrophobicContact CE1-CZ 3.48Å; F561-F565 VanDerWaalsContact CE1-CZ 3.48Å; F561-F565 AromaticContact CZ-CZ 3.92Å; F561-F565 HydrophobicContact CZ-CZ 3.92Å; F561-E627 HydrophobicContact CD1-CG 4.1Å; F561-E627 HydrophobicContact CE1-CG 3.8Å; F561-Q629 VanDerWaalsContact CD2-O 3.24Å; F561-Q629 WeakPolarHBondContact CD2-O 3.32Å; F561-Q629 VanDerWaalsContact CG-O 3.28Å; F561-Q629 WeakPolarHBondContact CG-O 3.34Å; F561-A631 HydrophobicContact CE1-CB 3.85Å; F561-A631 HydrophobicContact CZ-CB 3.99Å
562	P	97.9	Very high	94.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	S	Bend	cis	-69.6	153	-4.7	-25	38.8	0	0	0	113.3	L407 L465 F467 L497 F626 E627	L407-P562 HydrophobicContact CB-CB 4.39Å; L407-P562 VanDerWaalsContact CB-O 3.29Å; L407-P562 WeakPolarHBondContact CB-O 3.28Å; L407-P562 HydrophobicContact CD2-CG 4.49Å; L407-P562 PolarHBondContact N-O 3.49Å; L465-P562 HydrophobicContact CD1-CG 3.87Å; F467-P562 VanDerWaalsContact CZ-CD 3.49Å; F467-P562 HydrophobicContact CZ-CG 4.03Å; L497-P562 HydrophobicContact CD2-CB 4.4Å; L497-P562 HydrophobicContact CD2-CG 3.73Å; P562-F626 HydrophobicContact CB-CE1 4.49Å; P562-F626 HydrophobicContact CB-CE2 3.82Å; P562-F626 HydrophobicContact CB-CZ 3.61Å; P562-F626 HydrophobicContact CG-CZ 4.5Å; P562-E627 CarbonylContact C-O 3.31Å; P562-E627 VanDerWaalsContact CA-O 3.23Å; P562-E627 WeakPolarHBondContact CA-O 3.28Å; P562-E627 WeakPolarHBondContact CB-O 3.48Å
563	A	96.9	Very high	94.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.7	-178.4	0	0	0	0	0	112.5	L405 S560 F565 F626 E627	L405-A563 CarbonylContact O-C 3.46Å; L405-A563 VanDerWaalsContact O-CA 3.3Å; L405-A563 WeakPolarHBondContact O-CA 3.43Å; L405-A563 WeakPolarHBondContact O-CB 3.41Å; S560-A563 WeakPolarHBondContact O-CB 3.47Å; A563-F565 HydrophobicContact CB-CD2 4.37Å; A563-F565 HydrophobicContact CB-CE2 3.67Å; A563-F565 HydrophobicContact CB-CZ 3.91Å; A563-F565 WeakPolarHBondContact O-CD2 3.07Å; A563-F626 WeakPolarHBondContact O-CA 3.47Å; A563-E627 PolarHBondContact N-O 3.36Å; A563-E627 PolarHBondContact O-N 3.16Å
564	F	97.3	Very high	94.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.8	164.2	-61.3	-94	0	0	0	109.1	H404 L405 S410 M538 F542 L546 W552 V624 V625 F626	H404-F564 CarbonylContact C-O 3.55Å; H404-F564 WeakPolarHBondContact CA-O 3.27Å; L405-F564 HydrophobicContact CB-CB 4.36Å; L405-F564 PolarHBondContact N-O 2.8Å; L405-F564 PolarHBondContact O-N 2.93Å; S410-F564 WeakPolarHBondContact OG-CE2 3.41Å; M538-F564 HydrophobicContact CE-CE1 4.37Å; M538-F564 HydrophobicContact CE-CZ 3.85Å; M538-F564 HydrophobicContact SD-CE1 4.06Å; M538-F564 HydrophobicContact SD-CZ 3.83Å; F542-F564 HydrophobicContact CE1-CE1 4.1Å; F542-F564 AromaticContact CE1-CZ 3.69Å; F542-F564 HydrophobicContact CE1-CZ 3.69Å; F542-F564 HydrophobicContact CZ-CE2 4.37Å; F542-F564 AromaticContact CZ-CZ 3.95Å; F542-F564 HydrophobicContact CZ-CZ 3.95Å; L546-F564 HydrophobicContact CD1-CB 4.45Å; L546-F564 HydrophobicContact CD1-CD1 3.48Å; L546-F564 VanDerWaalsContact CD1-CD1 3.48Å; L546-F564 HydrophobicContact CD1-CD2 4.09Å; L546-F564 HydrophobicContact CD1-CE1 3.6Å; L546-F564 HydrophobicContact CD1-CE2 4.22Å; L546-F564 HydrophobicContact CD1-CG 3.73Å; L546-F564 HydrophobicContact CD1-CZ 3.98Å; W552-F564 HydrophobicContact CH2-CB 3.76Å; W552-F564 HydrophobicContact CZ3-CB 4.29Å; W552-F564 WeakPolarHBondContact CZ3-O 3.41Å; F564-V624 HydrophobicContact CB-CG1 4.43Å; F564-V624 HydrophobicContact CD1-CG1 4.16Å; F564-V625 CarbonylContact C-O 3.59Å; F564-V625 VanDerWaalsContact CA-O 3.29Å; F564-V625 WeakPolarHBondContact CA-O 3.24Å; F564-F626 HydrophobicContact CD1-CB 3.99Å; F564-F626 AromaticContact CD1-CD2 3.95Å; F564-F626 HydrophobicContact CD1-CD2 3.95Å; F564-F626 HydrophobicContact CD1-CG 4.43Å; F564-F626 AromaticContact CD2-CD2 3.95Å; F564-F626 HydrophobicContact CD2-CD2 3.95Å; F564-F626 HydrophobicContact CD2-CE2 4.41Å; F564-F626 HydrophobicContact CE1-CB 3.86Å; F564-F626 AromaticContact CE1-CD2 3.63Å; F564-F626 HydrophobicContact CE1-CD2 3.63Å; F564-F626 HydrophobicContact CE1-CG 4.05Å; F564-F626 AromaticContact CE2-CD2 3.6Å; F564-F626 HydrophobicContact CE2-CD2 3.6Å; F564-F626 AromaticContact CE2-CE2 3.85Å; F564-F626 HydrophobicContact CE2-CE2 3.85Å; F564-F626 HydrophobicContact CG-CD2 4.1Å; F564-F626 AromaticContact CZ-CD2 3.44Å; F564-F626 HydrophobicContact CZ-CD2 3.44Å; F564-F626 VanDerWaalsContact CZ-CD2 3.44Å; F564-F626 AromaticContact CZ-CE2 3.94Å; F564-F626 HydrophobicContact CZ-CE2 3.94Å; F564-F626 HydrophobicContact CZ-CG 4.2Å
565	F	97.1	Very high	94.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.6	179.4	-67.5	-87.7	0	0	0	108.5	V401 H404 M555 P559 F561 A563 W585 V624 V625 E627 A631	V401-F565 HydrophobicContact CG1-CB 3.79Å; V401-F565 HydrophobicContact CG1-CD1 3.9Å; V401-F565 HydrophobicContact CG1-CG 4.33Å; H404-F565 HydrophobicContact CB-CD1 3.68Å; H404-F565 HydrophobicContact CB-CE1 3.69Å; H404-F565 HydrophobicContact CB-CG 4.48Å; H404-F565 HydrophobicContact CB-CZ 4.45Å; M555-F565 HydrophobicContact CE-CD1 4.32Å; M555-F565 HydrophobicContact CE-CE1 4.16Å; M555-F565 HydrophobicContact SD-CD1 3.82Å; M555-F565 HydrophobicContact SD-CE1 3.94Å; P559-F565 HydrophobicContact CB-CE1 3.89Å; P559-F565 HydrophobicContact CB-CZ 3.84Å; P559-F565 HydrophobicContact CG-CE1 3.99Å; P559-F565 HydrophobicContact CG-CZ 4.05Å; F561-F565 HydrophobicContact CD1-CE2 4.3Å; F561-F565 HydrophobicContact CD1-CZ 4.26Å; F561-F565 AromaticContact CE1-CE2 3.75Å; F561-F565 HydrophobicContact CE1-CE2 3.75Å; F561-F565 AromaticContact CE1-CZ 3.48Å; F561-F565 HydrophobicContact CE1-CZ 3.48Å; F561-F565 VanDerWaalsContact CE1-CZ 3.48Å; F561-F565 AromaticContact CZ-CZ 3.92Å; F561-F565 HydrophobicContact CZ-CZ 3.92Å; A563-F565 HydrophobicContact CB-CD2 4.37Å; A563-F565 HydrophobicContact CB-CE2 3.67Å; A563-F565 HydrophobicContact CB-CZ 3.91Å; A563-F565 WeakPolarHBondContact O-CD2 3.07Å; F565-W585 HydrophobicContact CB-CH2 3.79Å; F565-W585 HydrophobicContact CB-CZ3 4.24Å; F565-W585 HydrophobicContact CD1-CH2 4.43Å; F565-W585 HydrophobicContact CD2-CH2 4.05Å; F565-W585 AromaticContact CD2-CZ3 3.72Å; F565-W585 HydrophobicContact CD2-CZ3 3.72Å; F565-W585 HydrophobicContact CE2-CZ3 4.29Å; F565-W585 AromaticContact CG-CH2 3.83Å; F565-W585 HydrophobicContact CG-CH2 3.83Å; F565-W585 AromaticContact CG-CZ3 4Å; F565-W585 HydrophobicContact CG-CZ3 4Å; F565-V624 CarbonylContact O-C 3.54Å; F565-V624 VanDerWaalsContact O-CA 3.26Å; F565-V624 WeakPolarHBondContact O-CA 3.48Å; F565-V625 HydrophobicContact CB-CB 4.39Å; F565-V625 PolarHBondContact N-O 2.95Å; F565-V625 PolarHBondContact O-N 2.97Å; F565-E627 HydrophobicContact CD2-CB 4.03Å; F565-E627 HydrophobicContact CE2-CB 3.81Å; F565-E627 HydrophobicContact CE2-CG 4.34Å; F565-A631 HydrophobicContact CD1-CB 4.42Å; F565-A631 HydrophobicContact CD2-CB 4.34Å; F565-A631 HydrophobicContact CE1-CB 3.91Å; F565-A631 HydrophobicContact CE2-CB 3.85Å; F565-A631 HydrophobicContact CZ-CB 3.6Å
566	Q	95.3	Very high	94.8	Very high	24 Å²	24	56.6 Å²	56.6	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.3	-176.4	-175.6	174.9	-26.5	0	0	111.8	Q402 Q403 W552 Q622 V623 V624	Q402-Q566 PolarHBondContact N-O 2.89Å; Q403-Q566 PolarHBondContact N-O 2.77Å; Q403-Q566 PolarHBondContact O-N 3.4Å; W552-Q566 HydrophobicContact CE3-CB 4.16Å; W552-Q566 HydrophobicContact CH2-CB 3.71Å; W552-Q566 HydrophobicContact CZ2-CB 4.34Å; W552-Q566 HydrophobicContact CZ3-CB 3.59Å; Q566-Q622 HydrophobicContact CG-CG 4.3Å; Q566-V623 WeakPolarHBondContact CA-O 3.24Å; Q566-V624 HydrophobicContact CG-CG2 4.41Å
567	G	94.7	Very high	95.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	176.4	171.3	0	0	0	0	0	112.1	V623	G567-V623 PolarHBondContact N-O 3.37Å; G567-V623 PolarHBondContact O-N 2.61Å
568	K	96.1	Very high	95.7	Very high	100 Å²	100	43 Å²	43	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.5	178.5	-67.7	-174.3	173.8	-167.7	0	111.3	V399 D620 N621	V399-K568 WeakPolarHBondContact CG2-O 3.42Å; K568-D620 IonicContact NZ-OD2 3.29Å; K568-D620 PolarHBondContact NZ-OD2 2.75Å; K568-N621 CarbonylContact C-O 3.52Å; K568-N621 WeakPolarHBondContact CA-O 3.43Å
569	L	97.6	Very high	96.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.3	170.5	172.2	68.8	0	0	0	109.5	Y396 V399 V571 L616 N621 V623 F637	Y396-L569 HydrophobicContact CG-CD1 4.25Å; V399-L569 HydrophobicContact CG2-CB 3.67Å; V399-L569 HydrophobicContact CG2-CD1 4.02Å; V399-L569 HydrophobicContact CG2-CG 4.48Å; L569-V571 HydrophobicContact CD2-CG2 4.08Å; L569-V571 HydrophobicContact CG-CG2 4.12Å; L569-L616 HydrophobicContact CD2-CD1 4.41Å; L569-L616 HydrophobicContact CD2-CD2 3.88Å; L569-N621 HydrophobicContact CB-CB 4.16Å; L569-N621 HydrophobicContact CD2-CB 4.49Å; L569-N621 PolarHBondContact N-O 3.07Å; L569-N621 PolarHBondContact O-N 3.23Å; L569-N621 PolarHBondContact O-ND2 3.26Å; L569-V623 HydrophobicContact CB-CG2 4.07Å; L569-F637 HydrophobicContact CB-CZ 4.36Å; L569-F637 HydrophobicContact CD1-CD2 4.09Å; L569-F637 HydrophobicContact CD1-CE1 4.49Å; L569-F637 HydrophobicContact CD1-CE2 4.12Å; L569-F637 HydrophobicContact CD1-CG 4.3Å; L569-F637 HydrophobicContact CD1-CZ 4.3Å; L569-F637 HydrophobicContact CD2-CD1 4.14Å; L569-F637 HydrophobicContact CD2-CE1 3.66Å; L569-F637 HydrophobicContact CD2-CZ 3.88Å; L569-F637 HydrophobicContact CG-CZ 4.41Å
570	Y	97.3	Very high	96.4	Very high	145 Å²	145	33 Å²	33	57%	0.569	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.2	173.5	-174.8	-101.5	0	0	0	111.7	N572 G619	Y570-N572 HydrophobicContact CD1-CB 4.33Å; Y570-N572 HydrophobicContact CE1-CB 3.83Å; Y570-G619 WeakPolarHBondContact CA-O 3.46Å
571	V	97.6	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.6	178	175	0	0	0	0	109.6	Y396 L569 S573 P575 H617 G619 N621	Y396-V571 HydrophobicContact CD1-CG2 4.2Å; Y396-V571 HydrophobicContact CE1-CB 4.28Å; Y396-V571 HydrophobicContact CE1-CG1 3.87Å; Y396-V571 HydrophobicContact CE1-CG2 3.85Å; L569-V571 HydrophobicContact CD2-CG2 4.08Å; L569-V571 HydrophobicContact CG-CG2 4.12Å; V571-S573 WeakPolarHBondContact CG1-O 3.15Å; V571-P575 HydrophobicContact CG1-CB 4.5Å; V571-P575 HydrophobicContact CG1-CG 4.31Å; V571-H617 WeakPolarHBondContact CB-O 3.46Å; V571-G619 PolarHBondContact N-O 2.88Å; V571-G619 PolarHBondContact O-N 3.28Å; V571-N621 WeakPolarHBondContact CG2-ND2 3.47Å
572	N	94.1	Very high	96.6	Very high	106 Å²	106	31.2 Å²	31.2	57%	0.567	16%	0.158	S	C	*	.			trans	-85	-12.5	-172.8	65.7	1.3	0	0	0	115.2	Y570	Y570-N572 HydrophobicContact CD1-CB 4.33Å; Y570-N572 HydrophobicContact CE1-CB 3.83Å
573	S	92.2	Very high	96.3	Very high	34 Å²	34	33.5 Å²	33.5	24%	0.238	17%	0.173	C	C	.	.	S	Bend	trans	-131.6	-166.8	-177.4	74.8	0	0	0	0	111.9	R394 V571	R394-S573 VanDerWaalsContact CZ-OG 3.31Å; R394-S573 PolarHBondContact NH1-OG 2.89Å; R394-S573 PolarHBondContact NH2-OG 3.38Å; V571-S573 WeakPolarHBondContact CG1-O 3.15Å
574	S	94.3	Very high	96.2	Very high	84 Å²	84	35.9 Å²	35.9	59%	0.587	20%	0.198	S	C	*	.	S	Bend	trans	-51.9	130.7	164	-170.5	0	0	0	0	109.3
575	P	96.3	Very high	96.2	Very high	32 Å²	32	36.1 Å²	36.1	21%	0.208	20%	0.199	C	C	.	.			trans	-58.8	148.5	173.7	-22.4	32.4	0	0	0	111.9	V571 G613 L616	V571-P575 HydrophobicContact CG1-CB 4.5Å; V571-P575 HydrophobicContact CG1-CG 4.31Å; P575-G613 WeakPolarHBondContact CB-O 3.48Å; P575-L616 HydrophobicContact CB-CB 3.75Å; P575-L616 HydrophobicContact CG-CB 4.31Å; P575-L616 WeakPolarHBondContact CG-O 3.42Å
576	K	97.2	Very high	96.2	Very high	56 Å²	56	37.1 Å²	37.1	24%	0.243	21%	0.205	C	C	.	.			trans	-139.4	156.9	-179.7	-63.4	-65.3	-178	155	0	107.8	E392 R394 Y396	E392-K576 HydrophobicContact CB-CD 4.16Å; E392-K576 WeakPolarHBondContact OE2-CE 3.42Å; E392-K576 IonicContact OE2-NZ 3.3Å; E392-K576 PolarHBondContact OE2-NZ 3.06Å; R394-K576 HydrophobicContact CB-CB 4.03Å; Y396-K576 PolarHBondContact OH-N 3.27Å; Y396-K576 PolarHBondContact OH-O 3.4Å
577	D	98.3	Very high	96.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-58.8	145.6	174.5	-76.9	9.6	0	0	0	111.2	Y88 R393 R394 Y610 V611 G613	Y88-D577 WeakPolarHBondContact CE2-OD1 3.43Å; Y88-D577 PolarHBondContact OH-OD1 3.15Å; R393-D577 CarbonylContact C-O 3.42Å; R393-D577 VanDerWaalsContact CA-O 3.23Å; R393-D577 WeakPolarHBondContact CA-O 3.34Å; R393-D577 HydrophobicContact CG-CB 3.83Å; R394-D577 PolarHBondContact N-O 3.01Å; D577-Y610 HydrophobicContact CB-CE2 3.96Å; D577-Y610 VanDerWaalsContact CG-OH 3.24Å; D577-Y610 WeakPolarHBondContact OD2-CE2 3.23Å; D577-Y610 PolarHBondContact OD2-OH 2.81Å; D577-V611 WeakPolarHBondContact CA-O 3.47Å; D577-G613 PolarHBondContact OD1-N 2.8Å
578	T	98.7	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	174.8	179.2	-167.9	0	0	0	0	109.8	R394 Y396 V611 L616 F637 I638	R394-T578 WeakPolarHBondContact O-CB 3.49Å; R394-T578 PolarHBondContact O-OG1 3.21Å; Y396-T578 HydrophobicContact CD2-CG2 3.82Å; Y396-T578 HydrophobicContact CE2-CG2 3.95Å; T578-V611 HydrophobicContact CG2-CB 3.66Å; T578-V611 HydrophobicContact CG2-CG1 4.09Å; T578-V611 HydrophobicContact CG2-CG2 4.17Å; T578-V611 PolarHBondContact N-O 3.2Å; T578-V611 VanDerWaalsContact N-O 3.1Å; T578-V611 PolarHBondContact O-N 2.85Å; T578-L616 HydrophobicContact CG2-CD1 4.19Å; T578-F637 HydrophobicContact CG2-CD1 3.66Å; T578-F637 HydrophobicContact CG2-CE1 4.22Å; T578-I638 PolarHBondContact OG1-O 2.9Å; T578-I638 VanDerWaalsContact OG1-O 3.1Å
579	F	98.8	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.6	176.4	-66.1	-90.3	0	0	0	110.4	A362 T608 L609 Y610 F637 I638 P641	A362-F579 HydrophobicContact CB-CZ 4.12Å; F579-T608 HydrophobicContact CB-CG2 4.39Å; F579-L609 CarbonylContact C-O 3.48Å; F579-L609 VanDerWaalsContact CA-O 3.24Å; F579-L609 WeakPolarHBondContact CA-O 3.39Å; F579-Y610 HydrophobicContact CD1-CD2 4.27Å; F579-Y610 AromaticContact CE1-CD2 3.71Å; F579-Y610 HydrophobicContact CE1-CD2 3.71Å; F579-Y610 HydrophobicContact CE1-CG 4.1Å; F579-Y610 AromaticContact CZ-CD2 3.86Å; F579-Y610 HydrophobicContact CZ-CD2 3.86Å; F579-F637 CarbonylContact O-C 3.58Å; F579-F637 VanDerWaalsContact O-CA 3.3Å; F579-F637 WeakPolarHBondContact O-CA 3.28Å; F579-I638 HydrophobicContact CB-CG1 3.95Å; F579-I638 PolarHBondContact N-O 3.47Å; F579-I638 PolarHBondContact O-N 3.19Å; F579-P641 HydrophobicContact CD1-CB 4.12Å; F579-P641 HydrophobicContact CE1-CB 3.69Å; F579-P641 HydrophobicContact CE1-CG 4.42Å; F579-P641 HydrophobicContact CE2-CB 4.27Å; F579-P641 HydrophobicContact CE2-CG 4.37Å; F579-P641 HydrophobicContact CZ-CB 3.77Å; F579-P641 HydrophobicContact CZ-CG 4.01Å
580	I	98.5	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.9	172.9	-65.2	171.5	0	0	0	108.7	L582 V590 L597 T608 L609 V611 V623 Q636 F637	I580-L582 HydrophobicContact CG2-CD1 3.9Å; I580-L582 HydrophobicContact CG2-CG 3.93Å; I580-V590 HydrophobicContact CD1-CG1 3.86Å; I580-L597 HydrophobicContact CD1-CD1 3.71Å; I580-T608 CarbonylContact O-C 3.45Å; I580-T608 VanDerWaalsContact O-CA 3.23Å; I580-T608 WeakPolarHBondContact O-CA 3.23Å; I580-L609 PolarHBondContact N-O 2.8Å; I580-L609 PolarHBondContact O-N 2.5Å; I580-V611 HydrophobicContact CD1-CG2 3.68Å; I580-V611 HydrophobicContact CG1-CG2 3.66Å; I580-V623 HydrophobicContact CD1-CG1 4.48Å; I580-Q636 CarbonylContact C-O 3.58Å; I580-Q636 WeakPolarHBondContact CA-O 3.24Å; I580-F637 HydrophobicContact CD1-CE1 3.73Å; I580-F637 HydrophobicContact CD1-CZ 3.76Å; I580-F637 HydrophobicContact CG1-CD1 3.85Å; I580-F637 HydrophobicContact CG1-CE1 3.34Å; I580-F637 HydrophobicContact CG1-CE2 4.36Å; I580-F637 HydrophobicContact CG1-CZ 3.64Å
581	K	97.5	Very high	96.6	Very high	51 Å²	51	24.5 Å²	24.5	22%	0.222	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.6	168.8	-174.7	164.4	-175.7	155.9	0	109.8	T608 Q636 I638 D642	K581-T608 HydrophobicContact CB-CG2 4Å; K581-T608 HydrophobicContact CD-CG2 4.44Å; K581-T608 HydrophobicContact CG-CG2 4.37Å; K581-Q636 HydrophobicContact CB-CB 4.21Å; K581-Q636 PolarHBondContact N-O 3.41Å; K581-Q636 PolarHBondContact O-N 3.17Å; K581-Q636 VanDerWaalsContact O-N 3.09Å; K581-I638 HydrophobicContact CB-CD1 4.33Å; K581-I638 HydrophobicContact CD-CD1 4.31Å; K581-D642 IonicContact NZ-OD2 2.78Å; K581-D642 PolarHBondContact NZ-OD2 3.19Å
582	L	94.1	Very high	96.6	Very high	17 Å²	17	24.5 Å²	24.5	9%	0.089	15%	0.152	C	C	.	.			trans	-109.1	56.2	-175.1	-70.6	129	0	0	0	111	I580 G584 W585 V590 Y600 L609 V625 L635	I580-L582 HydrophobicContact CG2-CD1 3.9Å; I580-L582 HydrophobicContact CG2-CG 3.93Å; L582-G584 PolarHBondContact O-N 2.81Å; L582-W585 HydrophobicContact CB-CB 3.94Å; L582-W585 HydrophobicContact CB-CG 3.91Å; L582-W585 HydrophobicContact CD2-CB 4.37Å; L582-W585 HydrophobicContact CD2-CD2 3.74Å; L582-W585 HydrophobicContact CD2-CE3 4.2Å; L582-W585 HydrophobicContact CD2-CG 3.82Å; L582-W585 WeakPolarHBondContact O-CB 3.34Å; L582-W585 PolarHBondContact O-N 3.45Å; L582-V590 HydrophobicContact CD1-CG2 3.76Å; L582-V590 HydrophobicContact CD2-CG2 4.37Å; L582-Y600 HydrophobicContact CB-CD2 4.2Å; L582-Y600 HydrophobicContact CB-CE2 4.36Å; L582-Y600 HydrophobicContact CD1-CD1 3.74Å; L582-Y600 HydrophobicContact CD1-CD2 4.05Å; L582-Y600 HydrophobicContact CD1-CE1 4.2Å; L582-Y600 HydrophobicContact CD1-CG 3.64Å; L582-Y600 HydrophobicContact CD2-CE1 4.28Å; L582-Y600 HydrophobicContact CD2-CE2 4.48Å; L582-L609 HydrophobicContact CD1-CD1 4.32Å; L582-V625 HydrophobicContact CD2-CG1 4.17Å; L582-V625 HydrophobicContact CD2-CG2 4.32Å; L582-L635 HydrophobicContact CD2-CD2 3.31Å; L582-L635 HydrophobicContact CG-CD2 4.15Å
583	S	92.9	Very high	96.7	Very high	47 Å²	47	21.6 Å²	21.6	33%	0.329	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	131.3	175.9	-56.8	0	0	0	0	110.8	W585 D632	S583-W585 VanDerWaalsContact C-N 3.26Å; S583-W585 PolarHBondContact O-N 2.98Å; S583-D632 WeakPolarHBondContact O-CB 3.23Å
584	G	94	Very high	96.7	Very high	50 Å²	50	20.4 Å²	20.4	52%	0.515	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.6	-178.2	0	0	0	0	0	114.6	L582 D632	L582-G584 PolarHBondContact O-N 2.81Å; G584-D632 PolarHBondContact O-N 3.09Å
585	W	96.9	Very high	96.7	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.023	12%	0.121	C	C	.	.			trans	-99.1	159.4	166.8	-59.3	65.6	0	0	0	109.8	V401 F565 L582 S583 Y600 V625 E627 E630 A631 D632 K634 L635	V401-W585 HydrophobicContact CG2-CH2 4.09Å; V401-W585 HydrophobicContact CG2-CZ2 3.88Å; F565-W585 HydrophobicContact CB-CH2 3.79Å; F565-W585 HydrophobicContact CB-CZ3 4.24Å; F565-W585 HydrophobicContact CD1-CH2 4.43Å; F565-W585 HydrophobicContact CD2-CH2 4.05Å; F565-W585 AromaticContact CD2-CZ3 3.72Å; F565-W585 HydrophobicContact CD2-CZ3 3.72Å; F565-W585 HydrophobicContact CE2-CZ3 4.29Å; F565-W585 AromaticContact CG-CH2 3.83Å; F565-W585 HydrophobicContact CG-CH2 3.83Å; F565-W585 AromaticContact CG-CZ3 4Å; F565-W585 HydrophobicContact CG-CZ3 4Å; L582-W585 HydrophobicContact CB-CB 3.94Å; L582-W585 HydrophobicContact CB-CG 3.91Å; L582-W585 HydrophobicContact CD2-CB 4.37Å; L582-W585 HydrophobicContact CD2-CD2 3.74Å; L582-W585 HydrophobicContact CD2-CE3 4.2Å; L582-W585 HydrophobicContact CD2-CG 3.82Å; L582-W585 WeakPolarHBondContact O-CB 3.34Å; L582-W585 PolarHBondContact O-N 3.45Å; S583-W585 VanDerWaalsContact C-N 3.26Å; S583-W585 PolarHBondContact O-N 2.98Å; W585-Y600 HydrophobicContact CB-CE2 3.67Å; W585-V625 HydrophobicContact CE3-CG1 3.82Å; W585-V625 HydrophobicContact CH2-CB 4.01Å; W585-V625 HydrophobicContact CH2-CG1 4.11Å; W585-V625 HydrophobicContact CH2-CG2 4.28Å; W585-V625 HydrophobicContact CZ3-CB 3.81Å; W585-V625 HydrophobicContact CZ3-CG1 3.45Å; W585-V625 VanDerWaalsContact CZ3-CG1 3.45Å; W585-V625 HydrophobicContact CZ3-CG2 4.45Å; W585-E627 HydrophobicContact CE3-CB 3.72Å; W585-E627 HydrophobicContact CE3-CG 3.84Å; W585-E627 HydrophobicContact CZ3-CB 3.73Å; W585-E627 HydrophobicContact CZ3-CG 4.22Å; W585-E630 VanDerWaalsContact CA-O 3.32Å; W585-E630 WeakPolarHBondContact CA-O 2.87Å; W585-A631 HydrophobicContact CD2-CB 4.05Å; W585-A631 HydrophobicContact CE3-CB 3.62Å; W585-A631 HydrophobicContact CH2-CB 3.83Å; W585-A631 HydrophobicContact CZ2-CB 4.24Å; W585-A631 HydrophobicContact CZ3-CB 3.5Å; W585-A631 VanDerWaalsContact CZ3-CB 3.5Å; W585-D632 WeakPolarHBondContact CZ2-O 3.2Å; W585-D632 PolarHBondContact NE1-O 3.45Å; W585-K634 PolarHBondContact NE1-O 3.48Å; W585-K634 VanDerWaalsContact NE1-O 3.1Å; W585-L635 HydrophobicContact CH2-CD2 4.24Å; W585-L635 HydrophobicContact CZ2-CD2 3.44Å; W585-L635 VanDerWaalsContact CZ2-CD2 3.44Å; W585-L635 HydrophobicContact CZ2-CG 4.29Å
586	T	97.3	Very high	96.8	Very high	23 Å²	23	21.4 Å²	21.4	14%	0.141	12%	0.119	C	C	.	.			trans	-104.5	-65.8	-175.2	-63.8	0	0	0	0	112.4	W601 S602 E627 Q629 E630	T586-W601 CarbonylContact O-C 3.57Å; T586-W601 WeakPolarHBondContact O-CA 3.41Å; T586-S602 WeakPolarHBondContact O-CB 3.35Å; T586-S602 PolarHBondContact O-N 3.15Å; T586-S602 PolarHBondContact O-OG 2.94Å; T586-E627 PolarHBondContact N-OE2 3.5Å; T586-Q629 HydrophobicContact CG2-CB 4.36Å; T586-E630 PolarHBondContact N-O 3.1Å
587	K	98.3	Very high	96.8	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.017	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	138.7	-173.4	-169.4	-177.4	174.9	-61.2	0	111	E499 Y600 W601 E627 E628	E499-K587 IonicContact OE1-NZ 2.98Å; E499-K587 PolarHBondContact OE1-NZ 3.25Å; E499-K587 WeakPolarHBondContact OE2-CE 3.35Å; E499-K587 IonicContact OE2-NZ 3.26Å; E499-K587 PolarHBondContact OE2-NZ 2.77Å; K587-Y600 WeakPolarHBondContact CA-O 3.45Å; K587-W601 HydrophobicContact CB-CG 4.19Å; K587-W601 HydrophobicContact CD-CD2 3.66Å; K587-W601 HydrophobicContact CD-CE3 4.23Å; K587-W601 HydrophobicContact CD-CG 3.81Å; K587-W601 HydrophobicContact CD-CZ2 4.22Å; K587-W601 HydrophobicContact CG-CB 4.07Å; K587-W601 HydrophobicContact CG-CD2 4.11Å; K587-W601 HydrophobicContact CG-CG 3.71Å; K587-E627 PolarHBondContact N-OE1 3.48Å; K587-E627 PolarHBondContact N-OE2 2.85Å; K587-E627 VanDerWaalsContact N-OE2 3.1Å; K587-E628 IonicContact NZ-OE1 3.75Å; K587-E628 PolarHBondContact NZ-OE1 3.48Å; K587-E628 WeakPolarHBondContact O-CB 3.35Å; K587-E628 WeakPolarHBondContact O-CG 3.24Å; K587-E628 PolarHBondContact O-N 2.82Å
588	G	98.1	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-152.9	179.3	0	0	0	0	0	115.1	R599 Y600 F626	G588-R599 VanDerWaalsContact O-CA 3.29Å; G588-R599 WeakPolarHBondContact O-CA 3.5Å; G588-Y600 VanDerWaalsContact C-CD1 3.48Å; G588-Y600 VanDerWaalsContact CA-CE1 3.47Å; G588-Y600 PolarHBondContact N-O 3.33Å; G588-Y600 WeakPolarHBondContact O-CD1 3.33Å; G588-Y600 PolarHBondContact O-N 2.8Å; G588-F626 CarbonylContact C-O 3.54Å; G588-F626 WeakPolarHBondContact CA-O 3.24Å
589	V	98.4	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.3	-174	-172.7	0	0	0	0	109.8	F334 Y441 F591 N596 G598 V625 F626	F334-V589 HydrophobicContact CE1-CG1 4.29Å; F334-V589 HydrophobicContact CE1-CG2 3.59Å; F334-V589 HydrophobicContact CZ-CG1 4.34Å; F334-V589 HydrophobicContact CZ-CG2 3.94Å; Y441-V589 HydrophobicContact CE2-CG2 4.25Å; V589-F591 HydrophobicContact CB-CE2 4.07Å; V589-F591 HydrophobicContact CB-CZ 4.34Å; V589-F591 HydrophobicContact CG1-CD2 4.47Å; V589-F591 HydrophobicContact CG1-CE1 4.35Å; V589-F591 HydrophobicContact CG1-CE2 3.71Å; V589-F591 HydrophobicContact CG1-CZ 3.63Å; V589-N596 WeakPolarHBondContact CG1-OD1 3.5Å; V589-G598 WeakPolarHBondContact CA-O 3.36Å; V589-V625 WeakPolarHBondContact O-CA 3.13Å; V589-F626 PolarHBondContact N-O 2.86Å; V589-F626 PolarHBondContact O-N 2.89Å
590	V	98.4	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.1	178.7	-174.3	0	0	0	0	111.3	I580 L582 L597 G598 Y600 L609 V623 V625	I580-V590 HydrophobicContact CD1-CG1 3.86Å; L582-V590 HydrophobicContact CD1-CG2 3.76Å; L582-V590 HydrophobicContact CD2-CG2 4.37Å; V590-L597 HydrophobicContact CB-CB 4.45Å; V590-L597 HydrophobicContact CB-CD1 4.2Å; V590-L597 HydrophobicContact CG1-CD1 3.8Å; V590-L597 WeakPolarHBondContact O-CB 3.47Å; V590-L597 PolarHBondContact O-N 2.79Å; V590-G598 PolarHBondContact N-O 2.92Å; V590-Y600 HydrophobicContact CG2-CD1 3.83Å; V590-Y600 HydrophobicContact CG2-CE1 4.03Å; V590-L609 HydrophobicContact CB-CD1 3.89Å; V590-L609 HydrophobicContact CG2-CD1 3.61Å; V590-V623 HydrophobicContact CG1-CG1 4.16Å; V590-V625 HydrophobicContact CG1-CG2 4.32Å; V590-V625 HydrophobicContact CG2-CG1 4.27Å; V590-V625 HydrophobicContact CG2-CG2 4.21Å
591	F	97.9	Very high	96.8	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.1	174.1	-52.1	-98.1	0	0	0	110.4	M538 V543 V589 R595 N596 V623 V624	M538-F591 HydrophobicContact CB-CE1 4.47Å; M538-F591 HydrophobicContact CB-CZ 4.01Å; V543-F591 HydrophobicContact CG1-CB 4.29Å; V543-F591 HydrophobicContact CG1-CD1 4.06Å; V543-F591 HydrophobicContact CG1-CD2 4.44Å; V543-F591 HydrophobicContact CG1-CG 4.01Å; V543-F591 HydrophobicContact CG2-CD1 3.93Å; V543-F591 HydrophobicContact CG2-CE1 3.61Å; V543-F591 HydrophobicContact CG2-CE2 4.45Å; V543-F591 HydrophobicContact CG2-CG 4.49Å; V543-F591 HydrophobicContact CG2-CZ 3.91Å; V589-F591 HydrophobicContact CB-CE2 4.07Å; V589-F591 HydrophobicContact CB-CZ 4.34Å; V589-F591 HydrophobicContact CG1-CD2 4.47Å; V589-F591 HydrophobicContact CG1-CE1 4.35Å; V589-F591 HydrophobicContact CG1-CE2 3.71Å; V589-F591 HydrophobicContact CG1-CZ 3.63Å; F591-R595 CarbonylContact C-O 3.55Å; F591-R595 WeakPolarHBondContact CA-O 3.15Å; F591-N596 HydrophobicContact CD1-CB 3.69Å; F591-N596 HydrophobicContact CE1-CB 3.56Å; F591-N596 VanDerWaalsContact CE1-CG 3.49Å; F591-V623 WeakPolarHBondContact O-CA 3.15Å; F591-V624 HydrophobicContact CB-CB 4.28Å; F591-V624 HydrophobicContact CD2-CB 4.47Å; F591-V624 PolarHBondContact N-O 3.1Å; F591-V624 PolarHBondContact O-N 3.37Å
592	I	96.9	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.8	171	-167.6	74.9	0	0	0	108.7	G594 R595 L597 V611 W615 L616 N621 Q622 V623	I592-G594 PolarHBondContact O-N 2.7Å; I592-G594 VanDerWaalsContact O-N 3.11Å; I592-R595 HydrophobicContact CG2-CB 4.49Å; I592-R595 PolarHBondContact N-O 2.84Å; I592-R595 WeakPolarHBondContact O-CB 3.41Å; I592-R595 PolarHBondContact O-N 3.26Å; I592-L597 HydrophobicContact CB-CD1 4.38Å; I592-L597 HydrophobicContact CB-CD2 4.47Å; I592-L597 HydrophobicContact CB-CG 4.45Å; I592-L597 HydrophobicContact CG2-CD1 4.34Å; I592-L597 HydrophobicContact CG2-CD2 3.58Å; I592-L597 HydrophobicContact CG2-CG 4.01Å; I592-V611 HydrophobicContact CG1-CG1 4.4Å; I592-V611 HydrophobicContact CG2-CG1 4.39Å; I592-W615 HydrophobicContact CG2-CB 4.21Å; I592-W615 HydrophobicContact CG2-CE3 4.14Å; I592-L616 HydrophobicContact CD1-CD2 3.76Å; I592-L616 HydrophobicContact CG1-CD2 3.58Å; I592-N621 HydrophobicContact CD1-CB 4.37Å; I592-Q622 WeakPolarHBondContact CA-O 3.49Å; I592-Q622 WeakPolarHBondContact CD1-O 3.48Å; I592-V623 HydrophobicContact CD1-CG2 3.74Å
593	N	95.1	Very high	97	Very high	46 Å²	46	25.7 Å²	25.7	25%	0.246	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.7	-178.1	-60	-37.2	0	0	0	113	R595 W615 H617 N621 Q622	N593-R595 VanDerWaalsContact C-N 3.26Å; N593-R595 PolarHBondContact O-N 2.99Å; N593-W615 PolarHBondContact ND2-O 3.37Å; N593-H617 PolarHBondContact ND2-ND1 3.25Å; N593-N621 PolarHBondContact ND2-OD1 2.8Å; N593-N621 VanDerWaalsContact OD1-CA 3.29Å; N593-N621 WeakPolarHBondContact OD1-CA 3.47Å; N593-Q622 PolarHBondContact N-O 2.89Å; N593-Q622 PolarHBondContact OD1-N 2.75Å
594	G	93	Very high	97.2	Very high	8 Å²	8	23.5 Å²	23.5	8%	0.082	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-5.9	-178	0	0	0	0	0	115.7	I592	I592-G594 PolarHBondContact O-N 2.7Å; I592-G594 VanDerWaalsContact O-N 3.11Å
595	R	94.8	Very high	97.3	Very high	108 Å²	108	21.5 Å²	21.5	41%	0.408	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.1	175.4	-65	-175.8	171.3	-99.5	-3.6	110.8	D125 F591 I592 N593 L597 W615	D125-R595 IonicContact OD2-NH1 3.7Å; F591-R595 CarbonylContact C-O 3.55Å; F591-R595 WeakPolarHBondContact CA-O 3.15Å; I592-R595 HydrophobicContact CG2-CB 4.49Å; I592-R595 PolarHBondContact N-O 2.84Å; I592-R595 WeakPolarHBondContact O-CB 3.41Å; I592-R595 PolarHBondContact O-N 3.26Å; N593-R595 VanDerWaalsContact C-N 3.26Å; N593-R595 PolarHBondContact O-N 2.99Å; R595-L597 PolarHBondContact O-N 2.81Å; R595-W615 HydrophobicContact CB-CD2 4.31Å; R595-W615 HydrophobicContact CB-CE3 3.86Å; R595-W615 HydrophobicContact CB-CZ3 4.05Å; R595-W615 VanDerWaalsContact CD-CD2 3.44Å
596	N	97.6	Very high	97.4	Very high	29 Å²	29	21.4 Å²	21.4	16%	0.155	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	111.9	-179.9	-169.3	-16.2	0	0	0	110.5	G333 V589 F591 G598	G333-N596 VanDerWaalsContact CA-CG 3.41Å; G333-N596 PolarHBondContact N-O 3.4Å; G333-N596 VanDerWaalsContact N-O 3.17Å; V589-N596 WeakPolarHBondContact CG1-OD1 3.5Å; F591-N596 HydrophobicContact CD1-CB 3.69Å; F591-N596 HydrophobicContact CE1-CB 3.56Å; F591-N596 VanDerWaalsContact CE1-CG 3.49Å; N596-G598 VanDerWaalsContact C-N 3.28Å; N596-G598 WeakPolarHBondContact OD1-CA 3.3Å; N596-G598 PolarHBondContact OD1-N 2.92Å
597	L	98.4	Very high	97.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-25.3	177.4	-64	-178.6	0	0	0	112.3	T351 I580 V590 I592 R595 V611 W615	T351-L597 WeakPolarHBondContact CG2-O 3.37Å; I580-L597 HydrophobicContact CD1-CD1 3.71Å; V590-L597 HydrophobicContact CB-CB 4.45Å; V590-L597 HydrophobicContact CB-CD1 4.2Å; V590-L597 HydrophobicContact CG1-CD1 3.8Å; V590-L597 WeakPolarHBondContact O-CB 3.47Å; V590-L597 PolarHBondContact O-N 2.79Å; I592-L597 HydrophobicContact CB-CD1 4.38Å; I592-L597 HydrophobicContact CB-CD2 4.47Å; I592-L597 HydrophobicContact CB-CG 4.45Å; I592-L597 HydrophobicContact CG2-CD1 4.34Å; I592-L597 HydrophobicContact CG2-CD2 3.58Å; I592-L597 HydrophobicContact CG2-CG 4.01Å; R595-L597 PolarHBondContact O-N 2.81Å; L597-V611 HydrophobicContact CD1-CG2 3.72Å; L597-V611 HydrophobicContact CD2-CG2 4.47Å; L597-W615 HydrophobicContact CD2-CE3 3.68Å; L597-W615 HydrophobicContact CD2-CZ3 3.7Å
598	G	98.3	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114	-165.5	-176.5	0	0	0	0	0	113.2	G333 V589 V590 N596	G333-G598 VanDerWaalsContact O-CA 3.23Å; G333-G598 WeakPolarHBondContact O-CA 3.17Å; V589-G598 WeakPolarHBondContact CA-O 3.36Å; V590-G598 PolarHBondContact N-O 2.92Å; N596-G598 VanDerWaalsContact C-N 3.28Å; N596-G598 WeakPolarHBondContact OD1-CA 3.3Å; N596-G598 PolarHBondContact OD1-N 2.92Å
599	R	98.7	Very high	97.4	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.023	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	145	-169.2	-52.1	-178.9	-164.2	-100.3	0.5	111.7	W295 F334 N336 T351 E499 N500 G588 L609	W295-R599 WeakPolarHBondContact CZ2-O 3.29Å; F334-R599 HydrophobicContact CD1-CG 4.4Å; F334-R599 VanDerWaalsContact CD1-NH2 3.27Å; N336-R599 PolarHBondContact OD1-NE 3.23Å; T351-R599 PolarHBondContact OG1-N 2.87Å; T351-R599 PolarHBondContact OG1-O 3.09Å; E499-R599 IonicContact OE1-CZ 3.78Å; E499-R599 IonicContact OE1-NH1 3.63Å; E499-R599 PolarHBondContact OE1-NH1 3.49Å; N500-R599 PolarHBondContact O-NH1 3.43Å; N500-R599 PolarHBondContact O-NH2 2.71Å; G588-R599 VanDerWaalsContact O-CA 3.29Å; G588-R599 WeakPolarHBondContact O-CA 3.5Å; R599-L609 WeakPolarHBondContact O-CD2 3.44Å
600	Y	98.6	Very high	97.4	Very high	15 Å²	15	24 Å²	24	6%	0.059	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.5	162.6	71.1	-82.9	0	0	0	110.1	L582 W585 K587 G588 V590 L609 V625 E627	L582-Y600 HydrophobicContact CB-CD2 4.2Å; L582-Y600 HydrophobicContact CB-CE2 4.36Å; L582-Y600 HydrophobicContact CD1-CD1 3.74Å; L582-Y600 HydrophobicContact CD1-CD2 4.05Å; L582-Y600 HydrophobicContact CD1-CE1 4.2Å; L582-Y600 HydrophobicContact CD1-CG 3.64Å; L582-Y600 HydrophobicContact CD2-CE1 4.28Å; L582-Y600 HydrophobicContact CD2-CE2 4.48Å; W585-Y600 HydrophobicContact CB-CE2 3.67Å; K587-Y600 WeakPolarHBondContact CA-O 3.45Å; G588-Y600 VanDerWaalsContact C-CD1 3.48Å; G588-Y600 VanDerWaalsContact CA-CE1 3.47Å; G588-Y600 PolarHBondContact N-O 3.33Å; G588-Y600 WeakPolarHBondContact O-CD1 3.33Å; G588-Y600 PolarHBondContact O-N 2.8Å; V590-Y600 HydrophobicContact CG2-CD1 3.83Å; V590-Y600 HydrophobicContact CG2-CE1 4.03Å; Y600-L609 HydrophobicContact CD1-CD1 4.47Å; Y600-V625 HydrophobicContact CE1-CG1 3.74Å; Y600-V625 WeakPolarHBondContact OH-CG1 3.35Å; Y600-E627 WeakPolarHBondContact CE2-OE2 3.16Å; Y600-E627 WeakPolarHBondContact OH-CB 3.48Å; Y600-E627 PolarHBondContact OH-OE2 2.62Å
601	W	98.2	Very high	97.4	Very high	54 Å²	54	24 Å²	24	21%	0.205	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	128	174.1	-163.2	-3.9	0	0	0	110.1	W295 P348 T586 K587 I603 G604	W295-W601 HydrophobicContact CB-CE3 3.65Å; W295-W601 HydrophobicContact CB-CZ3 3.92Å; W295-W601 HydrophobicContact CD2-CB 3.97Å; W295-W601 HydrophobicContact CD2-CE3 4.19Å; W295-W601 HydrophobicContact CE3-CB 3.58Å; W295-W601 AromaticContact CG-CE3 3.75Å; W295-W601 HydrophobicContact CG-CE3 3.75Å; W295-W601 HydrophobicContact CG-CZ3 4.35Å; W295-W601 HydrophobicContact CH2-CB 4.31Å; W295-W601 HydrophobicContact CZ3-CB 3.78Å; W295-W601 WeakPolarHBondContact CZ3-O 3.43Å; P348-W601 HydrophobicContact CG-CZ3 4.36Å; T586-W601 CarbonylContact O-C 3.57Å; T586-W601 WeakPolarHBondContact O-CA 3.41Å; K587-W601 HydrophobicContact CB-CG 4.19Å; K587-W601 HydrophobicContact CD-CD2 3.66Å; K587-W601 HydrophobicContact CD-CE3 4.23Å; K587-W601 HydrophobicContact CD-CG 3.81Å; K587-W601 HydrophobicContact CD-CZ2 4.22Å; K587-W601 HydrophobicContact CG-CB 4.07Å; K587-W601 HydrophobicContact CG-CD2 4.11Å; K587-W601 HydrophobicContact CG-CG 3.71Å; W601-I603 HydrophobicContact CB-CG1 4.34Å; W601-I603 HydrophobicContact CD2-CD1 3.53Å; W601-I603 HydrophobicContact CD2-CG1 3.57Å; W601-I603 VanDerWaalsContact CE2-CD1 3.45Å; W601-I603 HydrophobicContact CE3-CD1 3.66Å; W601-I603 HydrophobicContact CE3-CG1 4.05Å; W601-I603 HydrophobicContact CG-CD1 4.23Å; W601-I603 HydrophobicContact CG-CG1 3.71Å; W601-I603 HydrophobicContact CH2-CD1 3.68Å; W601-I603 HydrophobicContact CZ2-CD1 3.55Å; W601-I603 HydrophobicContact CZ2-CG1 4.34Å; W601-I603 HydrophobicContact CZ3-CD1 3.73Å; W601-I603 PolarHBondContact O-N 2.75Å; W601-G604 PolarHBondContact O-N 2.89Å; W601-G604 VanDerWaalsContact O-N 3.14Å
602	S	97.3	Very high	97.5	Very high	59 Å²	59	23.9 Å²	23.9	41%	0.413	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19	-176.5	59.8	0	0	0	0	114.6	T586 G604	T586-S602 WeakPolarHBondContact O-CB 3.35Å; T586-S602 PolarHBondContact O-N 3.15Å; T586-S602 PolarHBondContact O-OG 2.94Å; S602-G604 PolarHBondContact O-N 2.8Å
603	I	97.3	Very high	97.5	Very high	83 Å²	83	24 Å²	24	43%	0.426	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.3	177.8	68.8	171.6	0	0	0	113.5	W295 W601	W295-I603 HydrophobicContact CB-CD1 4.13Å; W295-I603 HydrophobicContact CB-CG1 4.45Å; W601-I603 HydrophobicContact CB-CG1 4.34Å; W601-I603 HydrophobicContact CD2-CD1 3.53Å; W601-I603 HydrophobicContact CD2-CG1 3.57Å; W601-I603 VanDerWaalsContact CE2-CD1 3.45Å; W601-I603 HydrophobicContact CE3-CD1 3.66Å; W601-I603 HydrophobicContact CE3-CG1 4.05Å; W601-I603 HydrophobicContact CG-CD1 4.23Å; W601-I603 HydrophobicContact CG-CG1 3.71Å; W601-I603 HydrophobicContact CH2-CD1 3.68Å; W601-I603 HydrophobicContact CZ2-CD1 3.55Å; W601-I603 HydrophobicContact CZ2-CG1 4.34Å; W601-I603 HydrophobicContact CZ3-CD1 3.73Å; W601-I603 PolarHBondContact O-N 2.75Å
604	G	97.3	Very high	97.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.124	C	C	.	.			trans	71.4	-166.8	177.9	0	0	0	0	0	114.2	W295 G296 W601 S602	W295-G604 CarbonylContact C-O 3.54Å; W295-G604 VanDerWaalsContact CA-O 3.32Å; W295-G604 WeakPolarHBondContact CA-O 3.48Å; G296-G604 PolarHBondContact N-O 2.83Å; W601-G604 PolarHBondContact O-N 2.89Å; W601-G604 VanDerWaalsContact O-N 3.14Å; S602-G604 PolarHBondContact O-N 2.8Å
605	P	97.6	Very high	97.8	Very high	7 Å²	7	25.3 Å²	25.3	5%	0.045	13%	0.125	C	C	.	.	S	Bend	cis	-71.8	-35.2	6.8	30.2	-36.1	0	0	0	112	D293 L294 G297 H299 V350 Q607 Y643 G644	D293-P605 HydrophobicContact CB-CG 3.95Å; L294-P605 WeakPolarHBondContact O-CD 3.45Å; G297-P605 WeakPolarHBondContact O-CB 3.3Å; H299-P605 HydrophobicContact CB-CB 4.44Å; V350-P605 HydrophobicContact CG1-CG 4.46Å; P605-Q607 WeakPolarHBondContact O-CG 3.42Å; P605-Q607 PolarHBondContact O-N 2.85Å; P605-Q607 PolarHBondContact O-NE2 2.84Å; P605-Y643 CarbonylContact C-O 3.52Å; P605-Y643 VanDerWaalsContact CB-O 3.28Å; P605-Y643 WeakPolarHBondContact CB-O 3.43Å; P605-Y643 CarbonylContact O-C 3.5Å; P605-Y643 VanDerWaalsContact O-C 3.31Å; P605-Y643 VanDerWaalsContact O-O 3.1Å; P605-G644 WeakPolarHBondContact O-CA 3.43Å; P605-G644 PolarHBondContact O-N 2.93Å
606	Q	98.1	Very high	97.9	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	11%	0.108	C	C	.	.			trans	-57.2	127.1	176.2	-179.3	-180	4.4	0	0	112.6	W295 V350 T608	W295-Q606 HydrophobicContact CH2-CB 4Å; W295-Q606 HydrophobicContact CH2-CG 4.34Å; W295-Q606 HydrophobicContact CZ3-CB 4.07Å; W295-Q606 WeakPolarHBondContact CZ3-O 3.36Å; V350-Q606 HydrophobicContact CB-CB 4.25Å; V350-Q606 HydrophobicContact CG1-CB 4.45Å; V350-Q606 HydrophobicContact CG2-CB 4.49Å; Q606-T608 WeakPolarHBondContact CG-O 3.15Å; Q606-T608 PolarHBondContact NE2-O 2.99Å
607	Q	97.1	Very high	97.9	Very high	71 Å²	71	23.7 Å²	23.7	33%	0.332	12%	0.121	S	C	.	.			trans	-116	-7.2	178.8	-60.9	-59.8	-45.9	0	0	113.6	P605 D642	P605-Q607 WeakPolarHBondContact O-CG 3.42Å; P605-Q607 PolarHBondContact O-N 2.85Å; P605-Q607 PolarHBondContact O-NE2 2.84Å; Q607-D642 HydrophobicContact CB-CB 3.97Å; Q607-D642 PolarHBondContact N-O 3.1Å
608	T	98.3	Very high	97.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.3	-177.2	55.2	0	0	0	0	112.8	F579 I580 K581 Q606 I638 D642	F579-T608 HydrophobicContact CB-CG2 4.39Å; I580-T608 CarbonylContact O-C 3.45Å; I580-T608 VanDerWaalsContact O-CA 3.23Å; I580-T608 WeakPolarHBondContact O-CA 3.23Å; K581-T608 HydrophobicContact CB-CG2 4Å; K581-T608 HydrophobicContact CD-CG2 4.44Å; K581-T608 HydrophobicContact CG-CG2 4.37Å; Q606-T608 WeakPolarHBondContact CG-O 3.15Å; Q606-T608 PolarHBondContact NE2-O 2.99Å; T608-I638 HydrophobicContact CG2-CD1 3.66Å; T608-I638 HydrophobicContact CG2-CG1 4.32Å; T608-D642 HydrophobicContact CG2-CB 3.69Å; T608-D642 PolarHBondContact OG1-N 2.9Å
609	L	98.8	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.5	172.1	-73.4	172.4	0	0	0	111.5	T351 F579 I580 L582 V590 R599 Y600	T351-L609 HydrophobicContact CG2-CD2 3.59Å; F579-L609 CarbonylContact C-O 3.48Å; F579-L609 VanDerWaalsContact CA-O 3.24Å; F579-L609 WeakPolarHBondContact CA-O 3.39Å; I580-L609 PolarHBondContact N-O 2.8Å; I580-L609 PolarHBondContact O-N 2.5Å; L582-L609 HydrophobicContact CD1-CD1 4.32Å; V590-L609 HydrophobicContact CB-CD1 3.89Å; V590-L609 HydrophobicContact CG2-CD1 3.61Å; R599-L609 WeakPolarHBondContact O-CD2 3.44Å; Y600-L609 HydrophobicContact CD1-CD1 4.47Å
610	Y	98.8	Very high	97.7	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134	175.4	177	-128.7	0	0	0	111.5	Y88 F332 E361 A362 D577 F579 P612	Y88-Y610 WeakPolarHBondContact CE2-OH 3.23Å; F332-Y610 HydrophobicContact CE1-CD1 4.49Å; F332-Y610 HydrophobicContact CZ-CD1 4.14Å; F332-Y610 HydrophobicContact CZ-CE1 4.45Å; E361-Y610 HydrophobicContact CG-CD1 4.19Å; E361-Y610 HydrophobicContact CG-CG 4.26Å; E361-Y610 WeakPolarHBondContact OE1-CB 3.49Å; A362-Y610 HydrophobicContact CB-CD2 4.26Å; A362-Y610 HydrophobicContact CB-CE2 3.75Å; D577-Y610 HydrophobicContact CB-CE2 3.96Å; D577-Y610 VanDerWaalsContact CG-OH 3.24Å; D577-Y610 WeakPolarHBondContact OD2-CE2 3.23Å; D577-Y610 PolarHBondContact OD2-OH 2.81Å; F579-Y610 HydrophobicContact CD1-CD2 4.27Å; F579-Y610 AromaticContact CE1-CD2 3.71Å; F579-Y610 HydrophobicContact CE1-CD2 3.71Å; F579-Y610 HydrophobicContact CE1-CG 4.1Å; F579-Y610 AromaticContact CZ-CD2 3.86Å; F579-Y610 HydrophobicContact CZ-CD2 3.86Å; Y610-P612 HydrophobicContact CD1-CG 4.1Å; Y610-P612 HydrophobicContact CE1-CB 4.31Å; Y610-P612 HydrophobicContact CE1-CG 3.7Å
611	V	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	106.3	174.2	-175.2	0	0	0	0	108.5	D577 T578 I580 I592 L597 G613 L616	D577-V611 WeakPolarHBondContact CA-O 3.47Å; T578-V611 HydrophobicContact CG2-CB 3.66Å; T578-V611 HydrophobicContact CG2-CG1 4.09Å; T578-V611 HydrophobicContact CG2-CG2 4.17Å; T578-V611 PolarHBondContact N-O 3.2Å; T578-V611 VanDerWaalsContact N-O 3.1Å; T578-V611 PolarHBondContact O-N 2.85Å; I580-V611 HydrophobicContact CD1-CG2 3.68Å; I580-V611 HydrophobicContact CG1-CG2 3.66Å; I592-V611 HydrophobicContact CG1-CG1 4.4Å; I592-V611 HydrophobicContact CG2-CG1 4.39Å; L597-V611 HydrophobicContact CD1-CG2 3.72Å; L597-V611 HydrophobicContact CD2-CG2 4.47Å; V611-G613 PolarHBondContact O-N 2.99Å; V611-L616 HydrophobicContact CG1-CD1 4.03Å; V611-L616 HydrophobicContact CG1-CD2 4.13Å; V611-L616 HydrophobicContact CG1-CG 3.96Å
612	P	98.3	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.			trans	-62.6	130.6	173.5	-19.9	30.6	0	0	0	111	P85 Y88 F332 Y610 P614 W615	P85-P612 HydrophobicContact CG-CB 3.79Å; P85-P612 HydrophobicContact CG-CG 3.63Å; Y88-P612 HydrophobicContact CE2-CB 4.21Å; F332-P612 HydrophobicContact CE1-CG 4.12Å; F332-P612 HydrophobicContact CZ-CG 3.74Å; Y610-P612 HydrophobicContact CD1-CG 4.1Å; Y610-P612 HydrophobicContact CE1-CB 4.31Å; Y610-P612 HydrophobicContact CE1-CG 3.7Å; P612-P614 VanDerWaalsContact C-N 3.27Å; P612-W615 HydrophobicContact CB-CD2 4.37Å; P612-W615 HydrophobicContact CB-CG 4.21Å; P612-W615 HydrophobicContact CG-CD2 3.98Å; P612-W615 HydrophobicContact CG-CE3 4.2Å; P612-W615 HydrophobicContact CG-CG 4.34Å; P612-W615 WeakPolarHBondContact O-CB 3.45Å; P612-W615 PolarHBondContact O-N 3.1Å
613	G	97.7	Very high	97.5	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-50.7	-38.8	172.9	0	0	0	0	0	114	P575 D577 V611 W615 L616	P575-G613 WeakPolarHBondContact CB-O 3.48Å; D577-G613 PolarHBondContact OD1-N 2.8Å; V611-G613 PolarHBondContact O-N 2.99Å; G613-W615 PolarHBondContact O-N 2.96Å; G613-L616 WeakPolarHBondContact O-CA 3.31Å; G613-L616 WeakPolarHBondContact O-CB 3.36Å; G613-L616 PolarHBondContact O-N 3.26Å; G613-L616 VanDerWaalsContact O-O 3.14Å
614	P	96.8	Very high	97.5	Very high	54 Å²	54	26.3 Å²	26.3	35%	0.351	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-62.4	-18.3	175.2	-28.5	36.4	0	0	0	115	T87 Y88 P612 L616	T87-P614 HydrophobicContact CG2-CB 4.2Å; T87-P614 WeakPolarHBondContact OG1-CB 3.16Å; T87-P614 WeakPolarHBondContact OG1-CG 3.34Å; Y88-P614 HydrophobicContact CD1-CG 4.26Å; Y88-P614 HydrophobicContact CD2-CG 4.43Å; Y88-P614 HydrophobicContact CE1-CG 3.7Å; Y88-P614 HydrophobicContact CE2-CG 3.92Å; Y88-P614 WeakPolarHBondContact OH-CD 3.47Å; P612-P614 VanDerWaalsContact C-N 3.27Å; P614-L616 VanDerWaalsContact C-N 3.31Å
615	W	97.1	Very high	97.5	Very high	26 Å²	26	26.3 Å²	26.3	10%	0.098	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-88.6	-5.2	174.8	-64.9	4.2	0	0	0	112.4	P85 F332 I592 N593 R595 L597 P612 G613	P85-W615 HydrophobicContact CG-CZ2 4.21Å; F332-W615 HydrophobicContact CB-CH2 4.16Å; F332-W615 AromaticContact CD1-CH2 3.43Å; F332-W615 HydrophobicContact CD1-CH2 3.43Å; F332-W615 VanDerWaalsContact CD1-CH2 3.43Å; F332-W615 AromaticContact CD1-CZ3 3.6Å; F332-W615 HydrophobicContact CD1-CZ3 3.6Å; F332-W615 AromaticContact CD2-CH2 3.86Å; F332-W615 HydrophobicContact CD2-CH2 3.86Å; F332-W615 HydrophobicContact CD2-CZ2 4.35Å; F332-W615 AromaticContact CE1-CH2 3.66Å; F332-W615 HydrophobicContact CE1-CH2 3.66Å; F332-W615 HydrophobicContact CE1-CZ2 4.48Å; F332-W615 AromaticContact CE1-CZ3 3.71Å; F332-W615 HydrophobicContact CE1-CZ3 3.71Å; F332-W615 HydrophobicContact CE2-CH2 4.06Å; F332-W615 HydrophobicContact CE2-CZ2 4.32Å; F332-W615 AromaticContact CG-CH2 3.54Å; F332-W615 HydrophobicContact CG-CH2 3.54Å; F332-W615 HydrophobicContact CG-CZ2 4.45Å; F332-W615 HydrophobicContact CG-CZ3 4.18Å; F332-W615 AromaticContact CZ-CH2 3.97Å; F332-W615 HydrophobicContact CZ-CH2 3.97Å; F332-W615 HydrophobicContact CZ-CZ2 4.38Å; F332-W615 HydrophobicContact CZ-CZ3 4.36Å; I592-W615 HydrophobicContact CG2-CB 4.21Å; I592-W615 HydrophobicContact CG2-CE3 4.14Å; N593-W615 PolarHBondContact ND2-O 3.37Å; R595-W615 HydrophobicContact CB-CD2 4.31Å; R595-W615 HydrophobicContact CB-CE3 3.86Å; R595-W615 HydrophobicContact CB-CZ3 4.05Å; R595-W615 VanDerWaalsContact CD-CD2 3.44Å; L597-W615 HydrophobicContact CD2-CE3 3.68Å; L597-W615 HydrophobicContact CD2-CZ3 3.7Å; P612-W615 HydrophobicContact CB-CD2 4.37Å; P612-W615 HydrophobicContact CB-CG 4.21Å; P612-W615 HydrophobicContact CG-CD2 3.98Å; P612-W615 HydrophobicContact CG-CE3 4.2Å; P612-W615 HydrophobicContact CG-CG 4.34Å; P612-W615 WeakPolarHBondContact O-CB 3.45Å; P612-W615 PolarHBondContact O-N 3.1Å; G613-W615 PolarHBondContact O-N 2.96Å
616	L	97.9	Very high	97.5	Very high	10 Å²	10	26 Å²	26	5%	0.052	13%	0.131	C	C	.	.			trans	-103	157.6	172.1	-63.2	175.3	0	0	0	110.3	Y396 L569 P575 T578 I592 V611 G613 P614 N621	Y396-L616 HydrophobicContact CE2-CD1 4.13Å; L569-L616 HydrophobicContact CD2-CD1 4.41Å; L569-L616 HydrophobicContact CD2-CD2 3.88Å; P575-L616 HydrophobicContact CB-CB 3.75Å; P575-L616 HydrophobicContact CG-CB 4.31Å; P575-L616 WeakPolarHBondContact CG-O 3.42Å; T578-L616 HydrophobicContact CG2-CD1 4.19Å; I592-L616 HydrophobicContact CD1-CD2 3.76Å; I592-L616 HydrophobicContact CG1-CD2 3.58Å; V611-L616 HydrophobicContact CG1-CD1 4.03Å; V611-L616 HydrophobicContact CG1-CD2 4.13Å; V611-L616 HydrophobicContact CG1-CG 3.96Å; G613-L616 WeakPolarHBondContact O-CA 3.31Å; G613-L616 WeakPolarHBondContact O-CB 3.36Å; G613-L616 PolarHBondContact O-N 3.26Å; G613-L616 VanDerWaalsContact O-O 3.14Å; P614-L616 VanDerWaalsContact C-N 3.31Å; L616-N621 VanDerWaalsContact CA-OD1 3.26Å; L616-N621 WeakPolarHBondContact CA-OD1 3.49Å; L616-N621 HydrophobicContact CD2-CB 4.04Å
617	H	97.2	Very high	97.5	Very high	93 Å²	93	25.8 Å²	25.8	43%	0.431	13%	0.13	S	C	.	.			trans	-135	161.6	172.6	57	-76.8	0	0	0	110.4	V571 N593 G619 D620 N621	V571-H617 WeakPolarHBondContact CB-O 3.46Å; N593-H617 PolarHBondContact ND2-ND1 3.25Å; H617-G619 PolarHBondContact O-N 2.87Å; H617-D620 PolarHBondContact CE1-O 2.85Å; H617-D620 PolarHBondContact NE2-O 2.83Å; H617-N621 PolarHBondContact CE1-OD1 3.37Å; H617-N621 PolarHBondContact N-OD1 3.09Å; H617-N621 PolarHBondContact ND1-OD1 2.8Å; H617-N621 PolarHBondContact O-ND2 3.14Å
618	K	97.5	Very high	97.5	Very high	148 Å²	148	22.6 Å²	22.6	64%	0.643	12%	0.115	S	C	*	.	S	Bend	trans	-65.7	133.3	175.2	-175.1	-178.2	178.2	-177.1	0	109.3
619	G	97.4	Very high	97.3	Very high	16 Å²	16	25.5 Å²	25.5	17%	0.165	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104	-149.5	-175.5	0	0	0	0	0	112.9	Y570 V571 H617 N621	Y570-G619 WeakPolarHBondContact CA-O 3.46Å; V571-G619 PolarHBondContact N-O 2.88Å; V571-G619 PolarHBondContact O-N 3.28Å; H617-G619 PolarHBondContact O-N 2.87Å; G619-N621 PolarHBondContact O-ND2 2.83Å; G619-N621 VanDerWaalsContact O-ND2 3.08Å
620	D	96.7	Very high	97.1	Very high	82 Å²	82	31.2 Å²	31.2	44%	0.439	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.5	-177.8	-79.7	2.6	0	0	0	111.1	K568 H617	K568-D620 IonicContact NZ-OD2 3.29Å; K568-D620 PolarHBondContact NZ-OD2 2.75Å; H617-D620 PolarHBondContact CE1-O 2.85Å; H617-D620 PolarHBondContact NE2-O 2.83Å
621	N	97.4	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	171.1	-64.9	-101.1	0	0	0	108.5	K568 L569 V571 I592 N593 L616 H617 G619	K568-N621 CarbonylContact C-O 3.52Å; K568-N621 WeakPolarHBondContact CA-O 3.43Å; L569-N621 HydrophobicContact CB-CB 4.16Å; L569-N621 HydrophobicContact CD2-CB 4.49Å; L569-N621 PolarHBondContact N-O 3.07Å; L569-N621 PolarHBondContact O-N 3.23Å; L569-N621 PolarHBondContact O-ND2 3.26Å; V571-N621 WeakPolarHBondContact CG2-ND2 3.47Å; I592-N621 HydrophobicContact CD1-CB 4.37Å; N593-N621 PolarHBondContact ND2-OD1 2.8Å; N593-N621 VanDerWaalsContact OD1-CA 3.29Å; N593-N621 WeakPolarHBondContact OD1-CA 3.47Å; L616-N621 VanDerWaalsContact CA-OD1 3.26Å; L616-N621 WeakPolarHBondContact CA-OD1 3.49Å; L616-N621 HydrophobicContact CD2-CB 4.04Å; H617-N621 PolarHBondContact CE1-OD1 3.37Å; H617-N621 PolarHBondContact N-OD1 3.09Å; H617-N621 PolarHBondContact ND1-OD1 2.8Å; H617-N621 PolarHBondContact O-ND2 3.14Å; G619-N621 PolarHBondContact O-ND2 2.83Å; G619-N621 VanDerWaalsContact O-ND2 3.08Å
622	Q	95.4	Very high	95.9	Very high	24 Å²	24	35.5 Å²	35.5	11%	0.112	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.1	178.9	-172.6	-171.5	63.3	0	0	110.4	Q547 Q566 I592 N593 V624	Q547-Q622 VanDerWaalsContact CG-NE2 3.35Å; Q547-Q622 VanDerWaalsContact NE2-CD 3.27Å; Q566-Q622 HydrophobicContact CG-CG 4.3Å; I592-Q622 WeakPolarHBondContact CA-O 3.49Å; I592-Q622 WeakPolarHBondContact CD1-O 3.48Å; N593-Q622 PolarHBondContact N-O 2.89Å; N593-Q622 PolarHBondContact OD1-N 2.75Å; Q622-V624 HydrophobicContact CG-CG2 3.96Å
623	V	96.7	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.5	168.4	-165.6	0	0	0	0	108.3	V399 Q566 G567 L569 I580 V590 F591 I592 V625 L635 F637	V399-V623 HydrophobicContact CG2-CG2 4.34Å; Q566-V623 WeakPolarHBondContact CA-O 3.24Å; G567-V623 PolarHBondContact N-O 3.37Å; G567-V623 PolarHBondContact O-N 2.61Å; L569-V623 HydrophobicContact CB-CG2 4.07Å; I580-V623 HydrophobicContact CD1-CG1 4.48Å; V590-V623 HydrophobicContact CG1-CG1 4.16Å; F591-V623 WeakPolarHBondContact O-CA 3.15Å; I592-V623 HydrophobicContact CD1-CG2 3.74Å; V623-V625 HydrophobicContact CG1-CG2 4.46Å; V623-L635 HydrophobicContact CB-CD1 4.16Å; V623-L635 HydrophobicContact CG1-CD1 3.49Å; V623-L635 VanDerWaalsContact CG1-CD1 3.49Å; V623-F637 HydrophobicContact CG2-CZ 3.97Å
624	V	96.5	Very high	95.3	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.4	172.4	-178.6	0	0	0	0	108.7	F564 F565 Q566 F591 Q622	F564-V624 HydrophobicContact CB-CG1 4.43Å; F564-V624 HydrophobicContact CD1-CG1 4.16Å; F565-V624 CarbonylContact O-C 3.54Å; F565-V624 VanDerWaalsContact O-CA 3.26Å; F565-V624 WeakPolarHBondContact O-CA 3.48Å; Q566-V624 HydrophobicContact CG-CG2 4.41Å; F591-V624 HydrophobicContact CB-CB 4.28Å; F591-V624 HydrophobicContact CD2-CB 4.47Å; F591-V624 PolarHBondContact N-O 3.1Å; F591-V624 PolarHBondContact O-N 3.37Å; Q622-V624 HydrophobicContact CG-CG2 3.96Å
625	V	97.8	Very high	95.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.1	176.5	-173.9	0	0	0	0	108.5	F564 F565 L582 W585 V589 V590 Y600 V623 L635	F564-V625 CarbonylContact C-O 3.59Å; F564-V625 VanDerWaalsContact CA-O 3.29Å; F564-V625 WeakPolarHBondContact CA-O 3.24Å; F565-V625 HydrophobicContact CB-CB 4.39Å; F565-V625 PolarHBondContact N-O 2.95Å; F565-V625 PolarHBondContact O-N 2.97Å; L582-V625 HydrophobicContact CD2-CG1 4.17Å; L582-V625 HydrophobicContact CD2-CG2 4.32Å; W585-V625 HydrophobicContact CE3-CG1 3.82Å; W585-V625 HydrophobicContact CH2-CB 4.01Å; W585-V625 HydrophobicContact CH2-CG1 4.11Å; W585-V625 HydrophobicContact CH2-CG2 4.28Å; W585-V625 HydrophobicContact CZ3-CB 3.81Å; W585-V625 HydrophobicContact CZ3-CG1 3.45Å; W585-V625 VanDerWaalsContact CZ3-CG1 3.45Å; W585-V625 HydrophobicContact CZ3-CG2 4.45Å; V589-V625 WeakPolarHBondContact O-CA 3.13Å; V590-V625 HydrophobicContact CG1-CG2 4.32Å; V590-V625 HydrophobicContact CG2-CG1 4.27Å; V590-V625 HydrophobicContact CG2-CG2 4.21Å; Y600-V625 HydrophobicContact CE1-CG1 3.74Å; Y600-V625 WeakPolarHBondContact OH-CG1 3.35Å; V623-V625 HydrophobicContact CG1-CG2 4.46Å; V625-L635 HydrophobicContact CG2-CD1 3.87Å; V625-L635 HydrophobicContact CG2-CD2 4.07Å
626	F	98.1	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119	163.5	179.4	-108.7	0	0	0	107.8	L407 Y441 L497 M538 P562 A563 F564 G588 V589 E628	L407-F626 HydrophobicContact CD1-CE2 4.36Å; Y441-F626 HydrophobicContact CD1-CE1 4.41Å; Y441-F626 HydrophobicContact CD2-CE1 4.11Å; Y441-F626 HydrophobicContact CE1-CE1 4.03Å; Y441-F626 AromaticContact CE2-CD1 3.94Å; Y441-F626 HydrophobicContact CE2-CD1 3.94Å; Y441-F626 AromaticContact CE2-CE1 3.74Å; Y441-F626 HydrophobicContact CE2-CE1 3.74Å; Y441-F626 HydrophobicContact CG-CE1 4.44Å; Y441-F626 AromaticContact CZ-CE1 3.69Å; L497-F626 HydrophobicContact CD2-CZ 4.31Å; M538-F626 HydrophobicContact CE-CD1 4.2Å; M538-F626 HydrophobicContact CE-CD2 4.34Å; M538-F626 HydrophobicContact CE-CE1 4.21Å; M538-F626 HydrophobicContact CE-CE2 4.34Å; M538-F626 HydrophobicContact CE-CG 4.26Å; M538-F626 HydrophobicContact CE-CZ 4.27Å; P562-F626 HydrophobicContact CB-CE1 4.49Å; P562-F626 HydrophobicContact CB-CE2 3.82Å; P562-F626 HydrophobicContact CB-CZ 3.61Å; P562-F626 HydrophobicContact CG-CZ 4.5Å; A563-F626 WeakPolarHBondContact O-CA 3.47Å; F564-F626 HydrophobicContact CD1-CB 3.99Å; F564-F626 AromaticContact CD1-CD2 3.95Å; F564-F626 HydrophobicContact CD1-CD2 3.95Å; F564-F626 HydrophobicContact CD1-CG 4.43Å; F564-F626 AromaticContact CD2-CD2 3.95Å; F564-F626 HydrophobicContact CD2-CD2 3.95Å; F564-F626 HydrophobicContact CD2-CE2 4.41Å; F564-F626 HydrophobicContact CE1-CB 3.86Å; F564-F626 AromaticContact CE1-CD2 3.63Å; F564-F626 HydrophobicContact CE1-CD2 3.63Å; F564-F626 HydrophobicContact CE1-CG 4.05Å; F564-F626 AromaticContact CE2-CD2 3.6Å; F564-F626 HydrophobicContact CE2-CD2 3.6Å; F564-F626 AromaticContact CE2-CE2 3.85Å; F564-F626 HydrophobicContact CE2-CE2 3.85Å; F564-F626 HydrophobicContact CG-CD2 4.1Å; F564-F626 AromaticContact CZ-CD2 3.44Å; F564-F626 HydrophobicContact CZ-CD2 3.44Å; F564-F626 VanDerWaalsContact CZ-CD2 3.44Å; F564-F626 AromaticContact CZ-CE2 3.94Å; F564-F626 HydrophobicContact CZ-CE2 3.94Å; F564-F626 HydrophobicContact CZ-CG 4.2Å; G588-F626 CarbonylContact C-O 3.54Å; G588-F626 WeakPolarHBondContact CA-O 3.24Å; V589-F626 PolarHBondContact N-O 2.86Å; V589-F626 PolarHBondContact O-N 2.89Å; F626-E628 HydrophobicContact CE1-CG 4.4Å
627	E	97.9	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.1	-178.7	165.8	60.3	-119.9	0	0	110.7	F561 P562 A563 F565 W585 T586 K587 Y600 Q629 E630 A631	F561-E627 HydrophobicContact CD1-CG 4.1Å; F561-E627 HydrophobicContact CE1-CG 3.8Å; P562-E627 CarbonylContact C-O 3.31Å; P562-E627 VanDerWaalsContact CA-O 3.23Å; P562-E627 WeakPolarHBondContact CA-O 3.28Å; P562-E627 WeakPolarHBondContact CB-O 3.48Å; A563-E627 PolarHBondContact N-O 3.36Å; A563-E627 PolarHBondContact O-N 3.16Å; F565-E627 HydrophobicContact CD2-CB 4.03Å; F565-E627 HydrophobicContact CE2-CB 3.81Å; F565-E627 HydrophobicContact CE2-CG 4.34Å; W585-E627 HydrophobicContact CE3-CB 3.72Å; W585-E627 HydrophobicContact CE3-CG 3.84Å; W585-E627 HydrophobicContact CZ3-CB 3.73Å; W585-E627 HydrophobicContact CZ3-CG 4.22Å; T586-E627 PolarHBondContact N-OE2 3.5Å; K587-E627 PolarHBondContact N-OE1 3.48Å; K587-E627 PolarHBondContact N-OE2 2.85Å; K587-E627 VanDerWaalsContact N-OE2 3.1Å; Y600-E627 WeakPolarHBondContact CE2-OE2 3.16Å; Y600-E627 WeakPolarHBondContact OH-CB 3.48Å; Y600-E627 PolarHBondContact OH-OE2 2.62Å; E627-Q629 PolarHBondContact OE1-N 2.89Å; E627-E630 WeakPolarHBondContact CG-O 3.41Å; E627-E630 PolarHBondContact OE1-N 2.81Å; E627-E630 VanDerWaalsContact OE1-N 3.09Å; E627-E630 VanDerWaalsContact OE2-O 3.08Å; E627-A631 HydrophobicContact CG-CB 4.09Å
628	E	97.5	Very high	95.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	19%	0.194	C	C	.	.	S	Bend	trans	-84.8	-34.4	-170.7	-72.8	-179.6	-157.3	0	0	114.6	Y441 R463 L465 K587 F626	Y441-E628 WeakPolarHBondContact CE1-OE1 3.19Å; Y441-E628 PolarHBondContact OH-OE1 2.9Å; R463-E628 IonicContact CZ-OE2 2.84Å; R463-E628 IonicContact NH1-OE2 2.61Å; R463-E628 PolarHBondContact NH1-OE2 3.22Å; R463-E628 IonicContact NH2-OE2 2.71Å; L465-E628 HydrophobicContact CD1-CB 3.87Å; L465-E628 HydrophobicContact CD1-CG 4.09Å; K587-E628 IonicContact NZ-OE1 3.75Å; K587-E628 PolarHBondContact NZ-OE1 3.48Å; K587-E628 WeakPolarHBondContact O-CB 3.35Å; K587-E628 WeakPolarHBondContact O-CG 3.24Å; K587-E628 PolarHBondContact O-N 2.82Å; F626-E628 HydrophobicContact CE1-CG 4.4Å
629	Q	93.9	Very high	95.3	Very high	63 Å²	63	33 Å²	33	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	-140.9	-47.8	-165	-66.5	-175.5	-41.5	0	0	114.2	Y472 F561 T586 E627	Y472-Q629 PolarHBondContact OH-NE2 3.1Å; F561-Q629 VanDerWaalsContact CD2-O 3.24Å; F561-Q629 WeakPolarHBondContact CD2-O 3.32Å; F561-Q629 VanDerWaalsContact CG-O 3.28Å; F561-Q629 WeakPolarHBondContact CG-O 3.34Å; T586-Q629 HydrophobicContact CG2-CB 4.36Å; E627-Q629 PolarHBondContact OE1-N 2.89Å
630	E	93.2	Very high	95.3	Very high	122 Å²	122	35.3 Å²	35.3	57%	0.57	19%	0.193	S	C	*	.			trans	-147.8	132.2	-173.9	-172.7	174.1	-173.1	0	0	110.4	W585 T586 E627	W585-E630 VanDerWaalsContact CA-O 3.32Å; W585-E630 WeakPolarHBondContact CA-O 2.87Å; T586-E630 PolarHBondContact N-O 3.1Å; E627-E630 WeakPolarHBondContact CG-O 3.41Å; E627-E630 PolarHBondContact OE1-N 2.81Å; E627-E630 VanDerWaalsContact OE1-N 3.09Å; E627-E630 VanDerWaalsContact OE2-O 3.08Å
631	A	90.9	Very high	95.3	Very high	24 Å²	24	33.3 Å²	33.3	20%	0.198	19%	0.185	C	C	.	.			trans	-124.5	136.5	179.4	0	0	0	0	0	110.4	F561 F565 W585 E627	F561-A631 HydrophobicContact CE1-CB 3.85Å; F561-A631 HydrophobicContact CZ-CB 3.99Å; F565-A631 HydrophobicContact CD1-CB 4.42Å; F565-A631 HydrophobicContact CD2-CB 4.34Å; F565-A631 HydrophobicContact CE1-CB 3.91Å; F565-A631 HydrophobicContact CE2-CB 3.85Å; F565-A631 HydrophobicContact CZ-CB 3.6Å; W585-A631 HydrophobicContact CD2-CB 4.05Å; W585-A631 HydrophobicContact CE3-CB 3.62Å; W585-A631 HydrophobicContact CH2-CB 3.83Å; W585-A631 HydrophobicContact CZ2-CB 4.24Å; W585-A631 HydrophobicContact CZ3-CB 3.5Å; W585-A631 VanDerWaalsContact CZ3-CB 3.5Å; E627-A631 HydrophobicContact CG-CB 4.09Å
632	D	82	Confident	95.3	Very high	72 Å²	72	35.6 Å²	35.6	39%	0.385	20%	0.197	S	C	.	.			trans	-82.9	147.5	159.8	-172.3	12.9	0	0	0	109.1	S583 G584 W585 K634	S583-D632 WeakPolarHBondContact O-CB 3.23Å; G584-D632 PolarHBondContact O-N 3.09Å; W585-D632 WeakPolarHBondContact CZ2-O 3.2Å; W585-D632 PolarHBondContact NE1-O 3.45Å; D632-K634 PolarHBondContact O-N 3.22Å
633	G	89.1	Confident	95.3	Very high	25 Å²	25	35.9 Å²	35.9	26%	0.258	20%	0.197	S	C	.	.	S	Bend	trans	-69.8	10.7	179.3	0	0	0	0	0	114.3	V401	V401-G633 PolarHBondContact N-O 3.42Å
634	K	95	Very high	95.2	Very high	88 Å²	88	37.3 Å²	37.3	38%	0.383	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.8	-168	-169.7	177.8	178.2	-177.1	0	112.7	S398 V399 W585 D632	S398-K634 WeakPolarHBondContact OG-CE 3.44Å; V399-K634 CarbonylContact O-C 3.52Å; V399-K634 WeakPolarHBondContact O-CA 3.43Å; W585-K634 PolarHBondContact NE1-O 3.48Å; W585-K634 VanDerWaalsContact NE1-O 3.1Å; D632-K634 PolarHBondContact O-N 3.22Å
635	L	96.6	Very high	95.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	174.5	-53.7	175.4	0	0	0	109.4	S398 V399 V401 L582 W585 V623 V625 F637	S398-L635 CarbonylContact C-O 3.6Å; S398-L635 WeakPolarHBondContact CA-O 3.39Å; S398-L635 VanDerWaalsContact CB-O 3.24Å; S398-L635 WeakPolarHBondContact CB-O 3.22Å; V399-L635 HydrophobicContact CB-CB 4.27Å; V399-L635 PolarHBondContact N-O 3.3Å; V399-L635 PolarHBondContact O-N 3.46Å; V401-L635 HydrophobicContact CG2-CG 4.49Å; L582-L635 HydrophobicContact CD2-CD2 3.31Å; L582-L635 HydrophobicContact CG-CD2 4.15Å; W585-L635 HydrophobicContact CH2-CD2 4.24Å; W585-L635 HydrophobicContact CZ2-CD2 3.44Å; W585-L635 VanDerWaalsContact CZ2-CD2 3.44Å; W585-L635 HydrophobicContact CZ2-CG 4.29Å; V623-L635 HydrophobicContact CB-CD1 4.16Å; V623-L635 HydrophobicContact CG1-CD1 3.49Å; V623-L635 VanDerWaalsContact CG1-CD1 3.49Å; V625-L635 HydrophobicContact CG2-CD1 3.87Å; V625-L635 HydrophobicContact CG2-CD2 4.07Å; L635-F637 HydrophobicContact CB-CE2 4.37Å
636	Q	97.8	Very high	95.1	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.8	179.9	-61.7	-178.3	-6.6	0	0	110.6	I580 K581	I580-Q636 CarbonylContact C-O 3.58Å; I580-Q636 WeakPolarHBondContact CA-O 3.24Å; K581-Q636 HydrophobicContact CB-CB 4.21Å; K581-Q636 PolarHBondContact N-O 3.41Å; K581-Q636 PolarHBondContact O-N 3.17Å; K581-Q636 VanDerWaalsContact O-N 3.09Å
637	F	98.1	Very high	95.1	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.3	174.3	-75.4	-95.7	0	0	0	109.1	A395 Y396 V399 L569 T578 F579 I580 V623 L635	A395-F637 WeakPolarHBondContact CA-O 3.09Å; A395-F637 WeakPolarHBondContact CB-O 3.32Å; Y396-F637 PolarHBondContact N-O 2.86Å; V399-F637 HydrophobicContact CB-CE2 4.08Å; V399-F637 HydrophobicContact CG2-CD2 4.16Å; V399-F637 HydrophobicContact CG2-CE2 3.49Å; V399-F637 VanDerWaalsContact CG2-CE2 3.49Å; V399-F637 HydrophobicContact CG2-CZ 4.3Å; L569-F637 HydrophobicContact CB-CZ 4.36Å; L569-F637 HydrophobicContact CD1-CD2 4.09Å; L569-F637 HydrophobicContact CD1-CE1 4.49Å; L569-F637 HydrophobicContact CD1-CE2 4.12Å; L569-F637 HydrophobicContact CD1-CG 4.3Å; L569-F637 HydrophobicContact CD1-CZ 4.3Å; L569-F637 HydrophobicContact CD2-CD1 4.14Å; L569-F637 HydrophobicContact CD2-CE1 3.66Å; L569-F637 HydrophobicContact CD2-CZ 3.88Å; L569-F637 HydrophobicContact CG-CZ 4.41Å; T578-F637 HydrophobicContact CG2-CD1 3.66Å; T578-F637 HydrophobicContact CG2-CE1 4.22Å; F579-F637 CarbonylContact O-C 3.58Å; F579-F637 VanDerWaalsContact O-CA 3.3Å; F579-F637 WeakPolarHBondContact O-CA 3.28Å; I580-F637 HydrophobicContact CD1-CE1 3.73Å; I580-F637 HydrophobicContact CD1-CZ 3.76Å; I580-F637 HydrophobicContact CG1-CD1 3.85Å; I580-F637 HydrophobicContact CG1-CE1 3.34Å; I580-F637 HydrophobicContact CG1-CE2 4.36Å; I580-F637 HydrophobicContact CG1-CZ 3.64Å; V623-F637 HydrophobicContact CG2-CZ 3.97Å; L635-F637 HydrophobicContact CB-CE2 4.37Å
638	I	97.9	Very high	94.9	Very high	45 Å²	45	55.1 Å²	55.1	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.7	-174.6	66.1	174.2	0	0	0	111.3	T578 F579 K581 T608 S640	T578-I638 PolarHBondContact OG1-O 2.9Å; T578-I638 VanDerWaalsContact OG1-O 3.1Å; F579-I638 HydrophobicContact CB-CG1 3.95Å; F579-I638 PolarHBondContact N-O 3.47Å; F579-I638 PolarHBondContact O-N 3.19Å; K581-I638 HydrophobicContact CB-CD1 4.33Å; K581-I638 HydrophobicContact CD-CD1 4.31Å; T608-I638 HydrophobicContact CG2-CD1 3.66Å; T608-I638 HydrophobicContact CG2-CG1 4.32Å; I638-S640 WeakPolarHBondContact CD1-O 3.47Å; I638-S640 WeakPolarHBondContact CG1-O 3.45Å
639	S	96.4	Very high	94.5	Very high	51 Å²	51	55.4 Å²	55.4	36%	0.357	31%	0.311	S	S	.	.	S	Bend	trans	-90.4	-8.5	-175.7	55.7	0	0	0	0	114.5	R393	R393-S639 WeakPolarHBondContact CB-O 3.32Å; R393-S639 WeakPolarHBondContact CD-O 3.42Å; R393-S639 PolarHBondContact NE-O 2.78Å
640	S	95.8	Very high	93.1	Very high	64 Å²	64	62.3 Å²	62.3	45%	0.448	34%	0.343	S	S	.	.	S	Bend	trans	-130.5	143.7	-175.2	-56.6	0	0	0	0	109.9	I638	I638-S640 WeakPolarHBondContact CD1-O 3.47Å; I638-S640 WeakPolarHBondContact CG1-O 3.45Å
641	P	97	Very high	93.1	Very high	39 Å²	39	59.4 Å²	59.4	25%	0.253	33%	0.332	S	S	.	.			trans	-69.2	159.2	174	29.8	-32.9	0	0	0	111.1	F579 Y643	F579-P641 HydrophobicContact CD1-CB 4.12Å; F579-P641 HydrophobicContact CE1-CB 3.69Å; F579-P641 HydrophobicContact CE1-CG 4.42Å; F579-P641 HydrophobicContact CE2-CB 4.27Å; F579-P641 HydrophobicContact CE2-CG 4.37Å; F579-P641 HydrophobicContact CZ-CB 3.77Å; F579-P641 HydrophobicContact CZ-CG 4.01Å; P641-Y643 HydrophobicContact CB-CD1 4.17Å; P641-Y643 HydrophobicContact CB-CE1 3.59Å; P641-Y643 HydrophobicContact CB-CE2 4.05Å; P641-Y643 HydrophobicContact CG-CE1 4.33Å; P641-Y643 HydrophobicContact CG-CE2 3.92Å
642	D	97.4	Very high	93.3	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	34%	0.339	S	S	.	.			trans	-129.9	97.2	169.7	-175.4	-5.9	0	0	0	107.3	K581 Q607 T608 G644	K581-D642 IonicContact NZ-OD2 2.78Å; K581-D642 PolarHBondContact NZ-OD2 3.19Å; Q607-D642 HydrophobicContact CB-CB 3.97Å; Q607-D642 PolarHBondContact N-O 3.1Å; T608-D642 HydrophobicContact CG2-CB 3.69Å; T608-D642 PolarHBondContact OG1-N 2.9Å; D642-G644 VanDerWaalsContact C-N 3.33Å; D642-G644 PolarHBondContact OD1-N 2.76Å
643	Y	96.2	Very high	93.9	Very high	29 Å²	29	60.6 Å²	60.6	11%	0.114	34%	0.336	C	S	.	.			trans	-88.5	-0.6	179.5	-55.8	-46.8	0	0	0	112.9	H299 S352 D354 E361 P605 P641	H299-Y643 WeakPolarHBondContact CB-O 3.34Å; H299-Y643 AromaticContact CE1-CD2 3.93Å; H299-Y643 AromaticContact NE2-CD2 3.59Å; S352-Y643 WeakPolarHBondContact OG-CE1 3.33Å; D354-Y643 HydrophobicContact CB-CE1 4.23Å; D354-Y643 HydrophobicContact CB-CE2 3.96Å; D354-Y643 VanDerWaalsContact CG-CE2 3.48Å; D354-Y643 WeakPolarHBondContact OD2-CE2 3.33Å; D354-Y643 PolarHBondContact OD2-OH 2.91Å; E361-Y643 WeakPolarHBondContact CB-OH 3.29Å; E361-Y643 WeakPolarHBondContact OE2-CE1 3.49Å; E361-Y643 PolarHBondContact OE2-OH 3.06Å; P605-Y643 CarbonylContact C-O 3.52Å; P605-Y643 VanDerWaalsContact CB-O 3.28Å; P605-Y643 WeakPolarHBondContact CB-O 3.43Å; P605-Y643 CarbonylContact O-C 3.5Å; P605-Y643 VanDerWaalsContact O-C 3.31Å; P605-Y643 VanDerWaalsContact O-O 3.1Å; P641-Y643 HydrophobicContact CB-CD1 4.17Å; P641-Y643 HydrophobicContact CB-CE1 3.59Å; P641-Y643 HydrophobicContact CB-CE2 4.05Å; P641-Y643 HydrophobicContact CG-CE1 4.33Å; P641-Y643 HydrophobicContact CG-CE2 3.92Å
644	G	94.8	Very high	94.2	Very high	30 Å²	30	62.7 Å²	62.7	31%	0.309	34%	0.341	S	S	.	.			trans	85.3	-166.6	-177.2	0	0	0	0	0	114.3	P605 D642	P605-G644 WeakPolarHBondContact O-CA 3.43Å; P605-G644 PolarHBondContact O-N 2.93Å; D642-G644 VanDerWaalsContact C-N 3.33Å; D642-G644 PolarHBondContact OD1-N 2.76Å
645	M	95.6	Very high	94.1	Very high	148 Å²	148	61.1 Å²	61.1	73%	0.729	34%	0.338	S	S	*	.	S	Bend	trans	-73.5	142.9	-178.7	-71.8	-177.1	65.4	0	0	111.7	L298 H299	L298-M645 HydrophobicContact CD2-CB 3.86Å; H299-M645 PolarHBondContact N-O 3.43Å
646	T	96.3	Very high	93.9	Very high	89 Å²	89	65.1 Å²	65.1	55%	0.546	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	152.3	-172.9	61.2	0	0	0	0	113.9	H299 V301	H299-T646 HydrophobicContact CB-CG2 4.48Å; H299-T646 CarbonylContact O-C 3.59Å; H299-T646 WeakPolarHBondContact O-CA 3.45Å; V301-T646 HydrophobicContact CG1-CG2 3.96Å
647	V	97.1	Very high	93.7	Very high	45 Å²	45	65 Å²	65	27%	0.273	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143	168.9	66.9	0	0	0	0	109.9	L298 H299 H300 V301	L298-V647 HydrophobicContact CB-CB 3.89Å; L298-V647 HydrophobicContact CB-CG1 3.63Å; L298-V647 HydrophobicContact CD1-CB 3.85Å; L298-V647 HydrophobicContact CD1-CG1 4.39Å; L298-V647 HydrophobicContact CD1-CG2 4.34Å; H299-V647 PolarHBondContact O-N 2.75Å; H300-V647 CarbonylContact C-O 3.54Å; H300-V647 WeakPolarHBondContact CA-O 3.42Å; V301-V647 WeakPolarHBondContact CG2-O 3.24Å; V301-V647 PolarHBondContact N-O 2.9Å
648	D	94.5	Very high	93.3	Very high	97 Å²	97	69.5 Å²	69.5	52%	0.519	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	142.9	175.2	-67.8	-16.2	0	0	0	110.9	V301 Q650	V301-D648 CarbonylContact O-C 3.51Å; V301-D648 VanDerWaalsContact O-CA 3.29Å; V301-D648 WeakPolarHBondContact O-CA 3.29Å; D648-Q650 PolarHBondContact O-N 3.46Å
649	V	89.5	Confident	93	Very high	9 Å²	9	71.6 Å²	71.6	6%	0.055	40%	0.403	C	S	.	.			trans	-60.6	129.5	169.4	-63.6	0	0	0	0	110.2	Q263 R264 W291 H300 V301 F302	Q263-V649 VanDerWaalsContact OE1-CG2 3.26Å; R264-V649 PolarHBondContact NH2-O 3Å; W291-V649 HydrophobicContact CB-CG1 3.58Å; W291-V649 HydrophobicContact CG-CG1 4.42Å; H300-V649 HydrophobicContact CB-CG1 4.05Å; V301-V649 PolarHBondContact O-N 3.43Å; F302-V649 HydrophobicContact CB-CG1 4.39Å; F302-V649 HydrophobicContact CB-CG2 3.57Å; F302-V649 HydrophobicContact CD1-CG2 4.35Å; F302-V649 HydrophobicContact CD2-CG2 3.74Å; F302-V649 HydrophobicContact CG-CG2 3.65Å
650	Q	64.9	Low	92.6	Very high	209 Å²	209	73.5 Å²	73.5	98%	0.977	41%	0.408	S	S	*	.			trans	-77.8	0	-170.9	-70.4	-168.9	-1.5	0	0	114.5	R264 D648	R264-Q650 PolarHBondContact NH1-OXT 3.27Å; R264-Q650 VanDerWaalsContact NH2-C 3.28Å; R264-Q650 PolarHBondContact NH2-OXT 2.94Å; D648-Q650 PolarHBondContact O-N 3.46Å

Retrieved 650 of 650 residues in 901.2 ms (Link to these results)

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