A0A077Z2Z4_TRITR Loading...

Lysine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z2Z4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 577 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	34	Very low	239 Å²	239	136.3 Å²	136.3	100%	1.177	84%	0.835	S	S	*	*				0	83.2	0	-64	-177.5	-171.6	0	0	106.4
2	V	33.8	Very low	35.8	Very low	128 Å²	128	133.6 Å²	133.6	78%	0.776	81%	0.81	S	S	*	*				62.9	91.8	98.6	-175.4	0	0	0	0	112.5
3	N	34.5	Very low	38.1	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	78%	0.784	S	S	*	*				172.4	135.9	113.9	-94.2	-25.8	0	0	0	112.5
4	T	29.5	Very low	39.6	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	79%	0.786	S	S	*	*			trans	-105.8	158.9	-179.2	36.1	0	0	0	0	111.6
5	C	26.6	Very low	41.6	Very low	121 Å²	121	132.1 Å²	132.1	82%	0.818	78%	0.778	S	S	*	*			trans	79.3	160	150.3	-84.2	0	0	0	0	120.4
6	P	34.1	Very low	43.3	Very low	106 Å²	106	126.3 Å²	126.3	69%	0.688	75%	0.75	S	S	*	*				-144.1	174.3	-51.7	38.4	-19.1	0	0	0	114.6
7	S	30.7	Very low	45.1	Very low	117 Å²	117	124.4 Å²	124.4	82%	0.818	73%	0.734	S	S	*	*			trans	13	128.8	155.8	60.4	0	0	0	0	121.7
8	G	32.1	Very low	46.7	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	73%	0.731	S	S	*	*			trans	-133.1	115.6	158	0	0	0	0	0	111.3
9	E	35.4	Very low	48.2	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	73%	0.732	S	S	*	*			trans	-68.7	143.6	168.2	-70.4	-178.7	150.1	0	0	110.6	S11	E9-S11 PolarHBondContact O-N 3.39Å; E9-S11 VanDerWaalsContact O-N 3.08Å
10	P	41	Very low	49.6	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	72%	0.72	S	S	*	*			trans	-71.9	107.2	172.1	27.7	-29.6	0	0	0	109.6	I12	P10-I12 PolarHBondContact O-N 3.18Å
11	S	43.9	Very low	51.1	Low	113 Å²	113	127.3 Å²	127.3	79%	0.79	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.7	119.7	175.7	68.2	0	0	0	0	111.1	E9 S13	E9-S11 PolarHBondContact O-N 3.39Å; E9-S11 VanDerWaalsContact O-N 3.08Å; S11-S13 PolarHBondContact O-N 3.44Å
12	I	55.5	Low	53.3	Low	104 Å²	104	123.9 Å²	123.9	53%	0.533	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-59.7	126.3	166.9	-69.2	176	0	0	0	108.3	P10 A16	P10-I12 PolarHBondContact O-N 3.18Å; I12-A16 HydrophobicContact CG2-CB 3.45Å; I12-A16 VanDerWaalsContact CG2-CB 3.45Å
13	S	65.3	Low	55.3	Low	68 Å²	68	124.3 Å²	124.3	48%	0.476	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-57.6	145.7	-180	86.6	0	0	0	0	111.1	S11 N15 A16 L17	S11-S13 PolarHBondContact O-N 3.44Å; S13-N15 PolarHBondContact O-N 3.47Å; S13-N15 PolarHBondContact OG-N 3.01Å; S13-A16 WeakPolarHBondContact O-CB 3.44Å; S13-A16 PolarHBondContact O-N 3.32Å; S13-A16 PolarHBondContact OG-N 3.24Å; S13-L17 PolarHBondContact O-N 3.21Å
14	K	59.7	Low	57.4	Low	187 Å²	187	122.7 Å²	122.7	81%	0.813	67%	0.67	S	S	*	*	H	α-helix	trans	-49.2	-29	176	-84.1	-178.9	175.5	174.4	0	113.2	K18	K14-K18 PolarHBondContact O-N 3.13Å
15	N	68.7	Low	59.7	Low	123 Å²	123	123.4 Å²	123.4	66%	0.658	66%	0.662	S	S	*	*	H	α-helix	trans	-76.3	-33.4	177.9	-74.2	-19.9	0	0	0	113.3	S13 R19	S13-N15 PolarHBondContact O-N 3.47Å; S13-N15 PolarHBondContact OG-N 3.01Å; N15-R19 PolarHBondContact O-N 3.42Å
16	A	69.9	Low	62.1	Low	40 Å²	40	125 Å²	125	33%	0.331	66%	0.655	S	S	.	*	H	α-helix	trans	-70.9	-41.7	174.8	0	0	0	0	0	111.4	I12 S13 K18 R19 Q20	I12-A16 HydrophobicContact CG2-CB 3.45Å; I12-A16 VanDerWaalsContact CG2-CB 3.45Å; S13-A16 WeakPolarHBondContact O-CB 3.44Å; S13-A16 PolarHBondContact O-N 3.32Å; S13-A16 PolarHBondContact OG-N 3.24Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 2.97Å; A16-R19 PolarHBondContact O-N 3.28Å; A16-R19 VanDerWaalsContact O-N 3.14Å; A16-Q20 PolarHBondContact O-N 2.89Å; A16-Q20 VanDerWaalsContact O-N 3.09Å
17	L	73.2	Confident	63.9	Low	93 Å²	93	125 Å²	125	49%	0.487	65%	0.649	S	S	.	*	H	α-helix	trans	-60.4	-40.9	173.7	-160.4	79.8	0	0	0	111.9	S13 R19 Q20 L21	S13-L17 PolarHBondContact O-N 3.21Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 2.98Å; L17-Q20 PolarHBondContact O-N 3.14Å; L17-L21 HydrophobicContact CG-CD1 4.34Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.09Å
18	K	73.9	Confident	66	Low	153 Å²	153	126 Å²	126	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-65.6	-30.9	176.8	-128.6	177.4	-175.3	177.5	0	113.1	K14 A16 K22	K14-K18 PolarHBondContact O-N 3.13Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 2.97Å; K18-K22 PolarHBondContact O-N 3.34Å
19	R	75.8	Confident	67.8	Low	202 Å²	202	126.7 Å²	126.7	76%	0.762	62%	0.621	S	S	*	*	H	α-helix	trans	-72.8	-43.9	175.4	-84.5	-177.3	172.4	175.3	-1.7	111.5	N15 A16 L17 K22 Q23	N15-R19 PolarHBondContact O-N 3.42Å; A16-R19 PolarHBondContact O-N 3.28Å; A16-R19 VanDerWaalsContact O-N 3.14Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 2.98Å; R19-K22 PolarHBondContact O-N 3.26Å; R19-Q23 PolarHBondContact O-N 3.47Å
20	Q	75.8	Confident	69.4	Low	106 Å²	106	126.2 Å²	126.2	50%	0.495	62%	0.616	S	S	.	*	H	α-helix	trans	-60.4	-48.9	175	-89.4	179.6	-27.3	0	0	112	A16 L17 K22 Q23 E24	A16-Q20 PolarHBondContact O-N 2.89Å; A16-Q20 VanDerWaalsContact O-N 3.09Å; L17-Q20 PolarHBondContact O-N 3.14Å; Q20-K22 VanDerWaalsContact C-N 3.26Å; Q20-K22 PolarHBondContact O-N 3.25Å; Q20-Q23 PolarHBondContact O-N 3.2Å; Q20-E24 PolarHBondContact O-N 3.03Å
21	L	80	Confident	70.4	Confident	99 Å²	99	126.9 Å²	126.9	52%	0.518	61%	0.608	S	S	.	*	H	α-helix	trans	-60.6	-33.9	178.1	-72.9	167	0	0	0	112.8	L17 K25	L17-L21 HydrophobicContact CG-CD1 4.34Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.09Å; L21-K25 WeakPolarHBondContact O-CB 3.46Å; L21-K25 PolarHBondContact O-N 2.66Å; L21-K25 VanDerWaalsContact O-N 3.09Å
22	K	79.4	Confident	71.1	Confident	166 Å²	166	128.2 Å²	128.2	72%	0.722	60%	0.602	S	S	*	*	H	α-helix	trans	-71.6	-32.9	174.2	-103.3	-175.1	174.6	-177.4	0	113	K18 R19 Q20 K26	K18-K22 PolarHBondContact O-N 3.34Å; R19-K22 PolarHBondContact O-N 3.26Å; Q20-K22 VanDerWaalsContact C-N 3.26Å; Q20-K22 PolarHBondContact O-N 3.25Å; K22-K26 PolarHBondContact O-N 3.3Å
23	Q	76	Confident	71	Confident	137 Å²	137	133.4 Å²	133.4	64%	0.64	62%	0.615	S	S	*	*	H	α-helix	trans	-71.6	-44.4	175.6	-99.2	176.3	-22.5	0	0	111.4	R19 Q20 K25 K26 L27	R19-Q23 PolarHBondContact O-N 3.47Å; Q20-Q23 PolarHBondContact O-N 3.2Å; Q23-K25 PolarHBondContact O-N 3.39Å; Q23-K26 PolarHBondContact O-N 3.03Å; Q23-L27 PolarHBondContact O-N 3.06Å
24	E	79.3	Confident	70.1	Confident	125 Å²	125	133.3 Å²	133.3	58%	0.584	63%	0.625	S	S	*	*	H	α-helix	trans	-62.1	-41.5	175.2	-77.1	-174	150.8	0	0	112.2	Q20 K26 L27 K28	Q20-E24 PolarHBondContact O-N 3.03Å; E24-K26 VanDerWaalsContact C-N 3.33Å; E24-K26 PolarHBondContact O-N 3.23Å; E24-L27 PolarHBondContact O-N 3.4Å; E24-K28 PolarHBondContact O-N 2.94Å
25	K	78.5	Confident	69.1	Low	143 Å²	143	129 Å²	129	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-65.1	-36.1	178	-154.6	177.4	-175.9	-175.7	0	112.4	L21 Q23 E29	L21-K25 WeakPolarHBondContact O-CB 3.46Å; L21-K25 PolarHBondContact O-N 2.66Å; L21-K25 VanDerWaalsContact O-N 3.09Å; Q23-K25 PolarHBondContact O-N 3.39Å; K25-E29 WeakPolarHBondContact O-CB 3.46Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.3Å
26	K	75.5	Confident	67.7	Low	154 Å²	154	128.2 Å²	128.2	67%	0.67	62%	0.622	S	S	*	*	H	α-helix	trans	-70.1	-31.1	174	-85.7	-172.3	172.9	-172.7	0	113.4	K22 Q23 E24 K30	K22-K26 PolarHBondContact O-N 3.3Å; Q23-K26 PolarHBondContact O-N 3.03Å; E24-K26 VanDerWaalsContact C-N 3.33Å; E24-K26 PolarHBondContact O-N 3.23Å; K26-K30 PolarHBondContact O-N 3.47Å
27	L	72.9	Confident	66.2	Low	107 Å²	107	132.2 Å²	132.2	56%	0.56	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-46.5	174.5	-84.9	156.2	0	0	0	110.8	Q23 E24 E29 K30 E31	Q23-L27 PolarHBondContact O-N 3.06Å; E24-L27 PolarHBondContact O-N 3.4Å; L27-E29 PolarHBondContact O-N 3.23Å; L27-K30 PolarHBondContact O-N 3.01Å; L27-K30 VanDerWaalsContact O-N 3.13Å; L27-E31 PolarHBondContact O-N 2.92Å
28	K	75.1	Confident	64.3	Low	138 Å²	138	131.4 Å²	131.4	60%	0.6	66%	0.662	S	S	*	*	H	α-helix	trans	-62	-41.9	175	-79.9	-172.4	172.4	-177	0	113.4	E24 K30 E31 E32	E24-K28 PolarHBondContact O-N 2.94Å; K28-K30 PolarHBondContact O-N 3.29Å; K28-E31 PolarHBondContact O-N 3.02Å; K28-E32 WeakPolarHBondContact O-CB 3.36Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.29Å
29	E	69.6	Low	62.3	Low	92 Å²	92	128.5 Å²	128.5	43%	0.43	67%	0.666	S	S	.	*	H	α-helix	trans	-66.1	-25.6	175.6	-78.3	177.2	-176.3	0	0	113.1	K25 L27 R33	K25-E29 WeakPolarHBondContact O-CB 3.46Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.3Å; L27-E29 PolarHBondContact O-N 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.35Å
30	K	67.6	Low	60.2	Low	172 Å²	172	126.7 Å²	126.7	75%	0.748	67%	0.672	S	S	*	*	H	α-helix	trans	-78.3	-34.6	173	-102.2	-173.5	172.2	-173.6	0	112.4	K26 L27 K28	K26-K30 PolarHBondContact O-N 3.47Å; L27-K30 PolarHBondContact O-N 3.01Å; L27-K30 VanDerWaalsContact O-N 3.13Å; K28-K30 PolarHBondContact O-N 3.29Å
31	E	62.9	Low	58.3	Low	142 Å²	142	126.7 Å²	126.7	66%	0.664	69%	0.69	S	S	*	*	H	α-helix	trans	-72.8	-41	175.7	-73.4	178.7	164.6	0	0	111.6	L27 K28 R33 G34	L27-E31 PolarHBondContact O-N 2.92Å; K28-E31 PolarHBondContact O-N 3.02Å; E31-R33 PolarHBondContact O-N 3.08Å; E31-G34 PolarHBondContact O-N 3.13Å
32	E	58.2	Low	56	Low	142 Å²	142	131.7 Å²	131.7	66%	0.664	71%	0.708	S	S	*	*	H	α-helix	trans	-71.6	-26.4	179.9	-72.8	176.5	-179.3	0	0	113.5	K28 G34	K28-E32 WeakPolarHBondContact O-CB 3.36Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 3.29Å; E32-G34 VanDerWaalsContact C-N 3.29Å
33	R	54.1	Low	53.7	Low	212 Å²	212	130.6 Å²	130.6	80%	0.8	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-6.7	173.5	-72.5	-179.8	-179.3	-174.9	2	113.7	E29 E31	E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.35Å; E31-R33 PolarHBondContact O-N 3.08Å
34	G	45.9	Very low	51.8	Low	67 Å²	67	129 Å²	129	69%	0.691	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-6.4	-177.7	0	0	0	0	0	115.3	E31 E32	E31-G34 PolarHBondContact O-N 3.13Å; E32-G34 VanDerWaalsContact C-N 3.29Å
35	S	38.9	Very low	49.6	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	73%	0.73	S	S	*	*	S	Bend	trans	-131.7	66.4	-168.6	66.7	0	0	0	0	114.2
36	S	39.9	Very low	47.4	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	74%	0.743	S	S	*	*			trans	-166.2	100.1	160	61	0	0	0	0	112.2
37	S	37.1	Very low	45.2	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	75%	0.754	S	S	*	*			trans	161.4	113.9	140.9	58.2	0	0	0	0	109.2
38	G	34.6	Very low	43.1	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	75%	0.752	S	S	*	*			trans	-81.8	166.6	177.9	0	0	0	0	0	114.3
39	A	30.9	Very low	41	Very low	92 Å²	92	128.1 Å²	128.1	76%	0.76	76%	0.763	S	S	*	*			trans	48.5	102.3	150.4	0	0	0	0	0	119.1
40	D	32.9	Very low	39	Very low	165 Å²	165	133.2 Å²	133.2	88%	0.882	78%	0.778	S	S	*	*				151.8	98	126.4	-80.7	-24.6	0	0	0	111.2
41	A	34.5	Very low	37	Very low	105 Å²	105	129.4 Å²	129.4	87%	0.868	77%	0.774	S	S	*	*			trans	-179.1	95.2	151	0	0	0	0	0	110.1
42	K	32.6	Very low	35.4	Very low	205 Å²	205	129.2 Å²	129.2	89%	0.891	78%	0.782	S	S	*	*			trans	-70.1	134.6	167.7	-83.1	177	178	174.7	0	110.1
43	V	31.5	Very low	34.6	Very low	143 Å²	143	127.4 Å²	127.4	87%	0.867	79%	0.791	S	S	*	*	S	Bend	trans	65.2	83.2	151.3	-170.3	0	0	0	0	116.3
44	A	35.3	Very low	34.2	Very low	102 Å²	102	121.8 Å²	121.8	84%	0.843	78%	0.781	S	S	*	*			trans	-162.9	-15.6	156.1	0	0	0	0	0	116.8
45	N	33.1	Very low	35	Very low	134 Å²	134	121.6 Å²	121.6	72%	0.717	77%	0.769	S	S	*	*			trans	-106.7	19.1	-159.2	-133.7	5.1	0	0	0	118.1	K47	N45-K47 PolarHBondContact O-N 3.37Å; N45-K47 VanDerWaalsContact O-N 3.14Å
46	A	32.4	Very low	36.3	Very low	107 Å²	107	120.1 Å²	120.1	88%	0.884	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	5.1	-178.3	0	0	0	0	0	115.4
47	K	29.2	Very low	37.6	Very low	210 Å²	210	119.6 Å²	119.6	91%	0.913	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	4.5	-177.2	-96.1	-179.4	176.5	176.4	0	115.7	N45	N45-K47 PolarHBondContact O-N 3.37Å; N45-K47 VanDerWaalsContact O-N 3.14Å
48	A	28.9	Very low	39.5	Very low	62 Å²	62	118.6 Å²	118.6	51%	0.512	73%	0.729	S	S	.	*	S	Bend	trans	-112.1	7.6	-172	0	0	0	0	0	116.6
49	V	30.2	Very low	41.7	Very low	136 Å²	136	116.3 Å²	116.3	82%	0.824	70%	0.698	S	S	*	*			trans	-98.8	6.5	-173.9	-172.6	0	0	0	0	114	S51	V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 2.98Å
50	R	28.5	Very low	44.5	Very low	199 Å²	199	115.9 Å²	115.9	75%	0.751	68%	0.683	S	S	*	*			trans	-85.1	14.1	-176.9	-101.9	-177.9	178	179.7	-1.2	116
51	S	26.1	Very low	47.3	Very low	93 Å²	93	111.2 Å²	111.2	65%	0.65	66%	0.662	S	S	*	*	S	Bend	trans	-134.8	80.5	-176.9	61.6	0	0	0	0	112.8	V49	V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 PolarHBondContact O-N 2.98Å
52	T	27.9	Very low	50.1	Low	138 Å²	138	111.4 Å²	111.4	85%	0.847	65%	0.649	S	S	*	*			trans	171.5	64.9	147.3	41.5	0	0	0	0	108.3	V54	T52-V54 PolarHBondContact O-N 3.37Å
53	A	41.1	Very low	53	Low	103 Å²	103	106.4 Å²	106.4	85%	0.851	63%	0.628	S	S	*	*			trans	-77.3	105.2	162.7	0	0	0	0	0	106.5	S55	A53-S55 PolarHBondContact O-N 3.23Å
54	V	47.4	Very low	56.1	Low	95 Å²	95	100.2 Å²	100.2	58%	0.576	59%	0.589	S	S	*	*			trans	-55.1	125.6	170	178	0	0	0	0	106.8	T52 E56 T58 L59	T52-V54 PolarHBondContact O-N 3.37Å; V54-E56 PolarHBondContact O-N 3.12Å; V54-E56 VanDerWaalsContact O-N 3.11Å; V54-T58 WeakPolarHBondContact CG1-OG1 3.44Å; V54-L59 HydrophobicContact CG1-CD2 4.14Å; V54-L59 HydrophobicContact CG1-CG 4.4Å
55	S	63.1	Low	59	Low	63 Å²	63	99.9 Å²	99.9	44%	0.441	57%	0.567	S	S	.	*			trans	-55.2	120.6	176.6	168.2	0	0	0	0	108.1	A53 D57 T58	A53-S55 PolarHBondContact O-N 3.23Å; S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.1Å; S55-T58 WeakPolarHBondContact O-CB 3.47Å; S55-T58 PolarHBondContact O-N 3.12Å; S55-T58 PolarHBondContact O-OG1 3.5Å
56	E	66.1	Low	62	Low	64 Å²	64	100.8 Å²	100.8	30%	0.299	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-59	-27	-176.3	-66.4	-174.3	171.5	0	0	112.4	V54 T58 L59 Y64 R165	V54-E56 PolarHBondContact O-N 3.12Å; V54-E56 VanDerWaalsContact O-N 3.11Å; E56-T58 PolarHBondContact O-N 3.31Å; E56-T58 VanDerWaalsContact O-N 3.13Å; E56-L59 HydrophobicContact CB-CD1 4.46Å; E56-L59 HydrophobicContact CG-CD1 4.42Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.15Å; E56-Y64 HydrophobicContact CB-CD2 4.32Å; E56-Y64 HydrophobicContact CB-CE2 4.01Å; E56-Y64 HydrophobicContact CG-CE2 4.28Å; E56-Y64 WeakPolarHBondContact OE2-CE2 3.2Å; E56-R165 WeakPolarHBondContact OE1-CD 3.49Å; E56-R165 IonicContact OE1-CZ 2.77Å; E56-R165 IonicContact OE1-NE 3.71Å; E56-R165 PolarHBondContact OE1-NE 3.32Å; E56-R165 IonicContact OE1-NH2 3.82Å; E56-R165 WeakPolarHBondContact OE2-CD 3.43Å; E56-R165 IonicContact OE2-NE 3.72Å; E56-R165 PolarHBondContact OE2-NE 3.38Å
57	D	67.2	Low	65	Low	95 Å²	95	100.1 Å²	100.1	51%	0.508	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-65.8	-11	175.6	-59.5	-35.2	0	0	0	113.1	S55	S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.1Å
58	T	75.3	Confident	68.2	Low	103 Å²	103	90.6 Å²	90.6	63%	0.632	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-103.1	-4.5	177.5	65.1	0	0	0	0	113.9	V54 S55 E56	V54-T58 WeakPolarHBondContact CG1-OG1 3.44Å; S55-T58 WeakPolarHBondContact O-CB 3.47Å; S55-T58 PolarHBondContact O-N 3.12Å; S55-T58 PolarHBondContact O-OG1 3.5Å; E56-T58 PolarHBondContact O-N 3.31Å; E56-T58 VanDerWaalsContact O-N 3.13Å
59	L	81.9	Confident	71.5	Confident	28 Å²	28	89.3 Å²	89.3	15%	0.147	49%	0.491	C	S	.	.	S	Bend	trans	-78	148.8	178.3	-68.9	168.6	0	0	0	111.1	V54 E56 E63 Y64 L67 M200	V54-L59 HydrophobicContact CG1-CD2 4.14Å; V54-L59 HydrophobicContact CG1-CG 4.4Å; E56-L59 HydrophobicContact CB-CD1 4.46Å; E56-L59 HydrophobicContact CG-CD1 4.42Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.15Å; L59-E63 HydrophobicContact CD2-CG 4.38Å; L59-Y64 HydrophobicContact CD1-CD2 4.32Å; L59-L67 HydrophobicContact CD1-CD1 4.02Å; L59-L67 HydrophobicContact CD2-CD1 4.35Å; L59-M200 WeakPolarHBondContact O-CE 3.45Å
60	D	89.9	Confident	74.6	Confident	84 Å²	84	85.5 Å²	85.5	45%	0.449	47%	0.474	S	S	.	.			trans	-63.6	139.8	167.2	174.6	80.4	0	0	0	110.2	N62 E63 Y64	D60-N62 PolarHBondContact O-N 3.14Å; D60-N62 VanDerWaalsContact O-N 3.14Å; D60-N62 WeakPolarHBondContact OD2-CA 3.48Å; D60-N62 VanDerWaalsContact OD2-CB 3.24Å; D60-N62 WeakPolarHBondContact OD2-CB 3.4Å; D60-N62 PolarHBondContact OD2-N 3.21Å; D60-N62 PolarHBondContact OD2-ND2 3.09Å; D60-E63 HydrophobicContact CB-CB 4.13Å; D60-E63 PolarHBondContact O-N 3.11Å; D60-E63 PolarHBondContact OD2-N 3.07Å; D60-Y64 PolarHBondContact O-N 3.22Å
61	P	91.5	Very high	77.8	Confident	66 Å²	66	78 Å²	78	43%	0.429	45%	0.454	S	S	.	.	H	α-helix	trans	-52.7	-35.2	179.8	-25.2	29.6	0	0	0	115.3	Y65 M200	P61-Y65 WeakPolarHBondContact O-CB 3.48Å; P61-Y65 PolarHBondContact O-N 3.18Å; P61-Y65 VanDerWaalsContact O-N 3.07Å; P61-M200 HydrophobicContact CB-CE 3.99Å; P61-M200 HydrophobicContact CG-CE 3.51Å
62	N	92.8	Very high	81.1	Confident	110 Å²	110	73.9 Å²	73.9	59%	0.588	43%	0.425	S	S	*	.	H	α-helix	trans	-76.3	-36.1	178.4	-59.9	-62.5	0	0	0	111.6	D60 Y65 K66	D60-N62 PolarHBondContact O-N 3.14Å; D60-N62 VanDerWaalsContact O-N 3.14Å; D60-N62 WeakPolarHBondContact OD2-CA 3.48Å; D60-N62 VanDerWaalsContact OD2-CB 3.24Å; D60-N62 WeakPolarHBondContact OD2-CB 3.4Å; D60-N62 PolarHBondContact OD2-N 3.21Å; D60-N62 PolarHBondContact OD2-ND2 3.09Å; N62-Y65 PolarHBondContact O-N 3.39Å; N62-K66 WeakPolarHBondContact O-CG 3Å; N62-K66 PolarHBondContact O-N 3.32Å; N62-K66 VanDerWaalsContact O-N 3.07Å
63	E	94.6	Very high	84.4	Confident	100 Å²	100	72.9 Å²	72.9	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-44.3	173.8	-171.7	174.1	-170	0	0	110.9	L59 D60 Y65 K66 L67	L59-E63 HydrophobicContact CD2-CG 4.38Å; D60-E63 HydrophobicContact CB-CB 4.13Å; D60-E63 PolarHBondContact O-N 3.11Å; D60-E63 PolarHBondContact OD2-N 3.07Å; E63-Y65 VanDerWaalsContact C-N 3.32Å; E63-Y65 PolarHBondContact O-N 3.38Å; E63-K66 PolarHBondContact O-N 3.4Å; E63-L67 HydrophobicContact CG-CD1 4.06Å; E63-L67 HydrophobicContact CG-CG 4.46Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 2.72Å
64	Y	95.2	Very high	86.9	Confident	13 Å²	13	72.6 Å²	72.6	5%	0.051	40%	0.397	C	S	.	.	H	α-helix	trans	-54.3	-49.4	172.3	-176.3	-87.2	0	0	0	111.1	E56 L59 D60 K66 L67 R68 M200	E56-Y64 HydrophobicContact CB-CD2 4.32Å; E56-Y64 HydrophobicContact CB-CE2 4.01Å; E56-Y64 HydrophobicContact CG-CE2 4.28Å; E56-Y64 WeakPolarHBondContact OE2-CE2 3.2Å; L59-Y64 HydrophobicContact CD1-CD2 4.32Å; D60-Y64 PolarHBondContact O-N 3.22Å; Y64-K66 VanDerWaalsContact C-N 3.34Å; Y64-K66 PolarHBondContact O-N 3.17Å; Y64-L67 PolarHBondContact O-N 2.91Å; Y64-R68 HydrophobicContact CD1-CB 4.27Å; Y64-R68 HydrophobicContact CE1-CB 4Å; Y64-R68 HydrophobicContact CE1-CG 4.07Å; Y64-R68 WeakPolarHBondContact O-CB 3.39Å; Y64-R68 PolarHBondContact O-N 3.21Å; Y64-M200 HydrophobicContact CD1-CB 3.92Å; Y64-M200 HydrophobicContact CD2-CB 4.48Å; Y64-M200 HydrophobicContact CE1-CB 4.41Å; Y64-M200 HydrophobicContact CG-CB 3.96Å
65	Y	96.7	Very high	89.1	Confident	95 Å²	95	68.7 Å²	68.7	37%	0.373	37%	0.373	S	S	.	.	H	α-helix	trans	-57.9	-44	178.9	173.6	-100.8	0	0	0	112.7	P61 N62 E63 S69 L198 H199	P61-Y65 WeakPolarHBondContact O-CB 3.48Å; P61-Y65 PolarHBondContact O-N 3.18Å; P61-Y65 VanDerWaalsContact O-N 3.07Å; N62-Y65 PolarHBondContact O-N 3.39Å; E63-Y65 VanDerWaalsContact C-N 3.32Å; E63-Y65 PolarHBondContact O-N 3.38Å; Y65-S69 WeakPolarHBondContact O-CB 3.41Å; Y65-S69 PolarHBondContact O-N 2.96Å; Y65-S69 PolarHBondContact O-OG 2.95Å; Y65-L198 WeakPolarHBondContact CA-O 3.34Å; Y65-L198 HydrophobicContact CD2-CB 3.83Å; Y65-L198 HydrophobicContact CE2-CB 3.84Å; Y65-L198 HydrophobicContact CE2-CD1 4.18Å; Y65-H199 AromaticContact CD2-CE1 3.4Å; Y65-H199 WeakPolarHBondContact CD2-CE1 3.35Å; Y65-H199 AromaticContact CD2-ND1 3.75Å; Y65-H199 AromaticContact CD2-NE2 3.69Å; Y65-H199 AromaticContact CE2-CE1 3.73Å; Y65-H199 AromaticContact CE2-NE2 3.68Å
66	K	96.3	Very high	90.5	Very high	152 Å²	152	71.9 Å²	71.9	66%	0.661	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-49.8	177.3	-72.6	175.4	-177.3	179.4	0	111.9	N62 E63 Y64 S69 A70	N62-K66 WeakPolarHBondContact O-CG 3Å; N62-K66 PolarHBondContact O-N 3.32Å; N62-K66 VanDerWaalsContact O-N 3.07Å; E63-K66 PolarHBondContact O-N 3.4Å; Y64-K66 VanDerWaalsContact C-N 3.34Å; Y64-K66 PolarHBondContact O-N 3.17Å; K66-S69 PolarHBondContact O-N 3.42Å; K66-A70 WeakPolarHBondContact O-CB 3.44Å; K66-A70 PolarHBondContact O-N 3.4Å
67	L	96	Very high	91.8	Very high	93 Å²	93	73.8 Å²	73.8	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-43.7	-179.6	-69.3	173.5	0	0	0	111.5	L59 E63 Y64 A70 A71	L59-L67 HydrophobicContact CD1-CD1 4.02Å; L59-L67 HydrophobicContact CD2-CD1 4.35Å; E63-L67 HydrophobicContact CG-CD1 4.06Å; E63-L67 HydrophobicContact CG-CG 4.46Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 2.72Å; Y64-L67 PolarHBondContact O-N 2.91Å; L67-A70 PolarHBondContact O-N 3.07Å; L67-A71 PolarHBondContact O-N 3.41Å
68	R	96.6	Very high	92.9	Very high	11 Å²	11	72.3 Å²	72.3	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-66.6	-41.6	179.1	-169.7	61.5	176.7	159.6	1.5	111.6	Y64 A70 A71 V72 N163 D168 C197 L198	Y64-R68 HydrophobicContact CD1-CB 4.27Å; Y64-R68 HydrophobicContact CE1-CB 4Å; Y64-R68 HydrophobicContact CE1-CG 4.07Å; Y64-R68 WeakPolarHBondContact O-CB 3.39Å; Y64-R68 PolarHBondContact O-N 3.21Å; R68-A70 PolarHBondContact O-N 3.5Å; R68-A71 PolarHBondContact O-N 3.35Å; R68-V72 WeakPolarHBondContact O-CG2 3.32Å; R68-V72 PolarHBondContact O-N 3.29Å; R68-N163 PolarHBondContact NH1-O 2.95Å; R68-N163 PolarHBondContact NH2-O 3.5Å; R68-N163 VanDerWaalsContact NH2-O 3.12Å; R68-D168 IonicContact CZ-OD1 2.62Å; R68-D168 IonicContact CZ-OD2 2.72Å; R68-D168 IonicContact NH2-OD1 3.22Å; R68-D168 PolarHBondContact NH2-OD1 3.35Å; R68-D168 IonicContact NH2-OD2 3.37Å; R68-D168 PolarHBondContact NH2-OD2 2.99Å; R68-C197 WeakPolarHBondContact CG-O 3.33Å; R68-C197 PolarHBondContact NE-O 2.92Å; R68-L198 HydrophobicContact CG-CD2 4.16Å
69	S	96.9	Very high	93.5	Very high	34 Å²	34	70.7 Å²	70.7	24%	0.238	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-42.2	175	-62.2	0	0	0	0	111.8	Y65 K66 V72 K73	Y65-S69 WeakPolarHBondContact O-CB 3.41Å; Y65-S69 PolarHBondContact O-N 2.96Å; Y65-S69 PolarHBondContact O-OG 2.95Å; K66-S69 PolarHBondContact O-N 3.42Å; S69-V72 PolarHBondContact O-N 3.47Å; S69-K73 PolarHBondContact O-N 2.95Å
70	A	96.4	Very high	93.7	Very high	57 Å²	57	75.1 Å²	75.1	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-43.5	174.6	0	0	0	0	0	112.1	K66 L67 R68 V72 K73 V74	K66-A70 WeakPolarHBondContact O-CB 3.44Å; K66-A70 PolarHBondContact O-N 3.4Å; L67-A70 PolarHBondContact O-N 3.07Å; R68-A70 PolarHBondContact O-N 3.5Å; A70-V72 PolarHBondContact O-N 2.69Å; A70-K73 WeakPolarHBondContact O-CB 3.21Å; A70-K73 PolarHBondContact O-N 2.95Å; A70-V74 WeakPolarHBondContact O-CG2 3.49Å; A70-V74 PolarHBondContact O-N 3.41Å
71	A	95	Very high	93.6	Very high	41 Å²	41	76 Å²	76	34%	0.339	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-42.2	176.7	0	0	0	0	0	112.4	L67 R68 K73 V74 L75	L67-A71 PolarHBondContact O-N 3.41Å; R68-A71 PolarHBondContact O-N 3.35Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 2.96Å; A71-V74 PolarHBondContact O-N 3.34Å; A71-L75 PolarHBondContact O-N 3.39Å; A71-L75 VanDerWaalsContact O-N 3.08Å
72	V	96.4	Very high	93.7	Very high	6 Å²	6	73 Å²	73	4%	0.036	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-35.6	176.2	170.9	0	0	0	0	111.6	R68 S69 A70 L75 R76 P82 Y83 P196 L198	R68-V72 WeakPolarHBondContact O-CG2 3.32Å; R68-V72 PolarHBondContact O-N 3.29Å; S69-V72 PolarHBondContact O-N 3.47Å; A70-V72 PolarHBondContact O-N 2.69Å; V72-L75 PolarHBondContact O-N 3.32Å; V72-R76 PolarHBondContact O-N 2.73Å; V72-R76 VanDerWaalsContact O-N 3.09Å; V72-P82 HydrophobicContact CG1-CB 4.3Å; V72-P82 HydrophobicContact CG1-CG 3.78Å; V72-Y83 HydrophobicContact CG1-CE2 3.96Å; V72-P196 HydrophobicContact CB-CG 4.4Å; V72-P196 HydrophobicContact CG1-CG 3.84Å; V72-P196 HydrophobicContact CG2-CB 3.61Å; V72-P196 HydrophobicContact CG2-CG 3.57Å; V72-L198 HydrophobicContact CB-CD2 4.28Å; V72-L198 HydrophobicContact CG2-CD2 3.75Å
73	K	95.3	Very high	93.9	Very high	118 Å²	118	71 Å²	71	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-46.5	172.4	-173.4	-175	-179.6	-62.7	0	111.4	S69 A70 A71 L75 R76 D77	S69-K73 PolarHBondContact O-N 2.95Å; A70-K73 WeakPolarHBondContact O-CB 3.21Å; A70-K73 PolarHBondContact O-N 2.95Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 2.96Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.49Å; K73-R76 WeakPolarHBondContact O-CB 3.5Å; K73-R76 PolarHBondContact O-N 3.09Å; K73-R76 VanDerWaalsContact O-N 3.13Å; K73-D77 IonicContact NZ-OD1 2.66Å; K73-D77 IonicContact NZ-OD2 2.8Å; K73-D77 PolarHBondContact NZ-OD2 2.93Å; K73-D77 VanDerWaalsContact O-CG 3.25Å; K73-D77 PolarHBondContact O-N 3.41Å
74	V	94.7	Very high	94	Very high	97 Å²	97	67.9 Å²	67.9	59%	0.588	36%	0.357	S	S	*	.	H	α-helix	trans	-59.2	-40	176.9	172.8	0	0	0	0	111.6	A70 A71 D77 S78	A70-V74 WeakPolarHBondContact O-CG2 3.49Å; A70-V74 PolarHBondContact O-N 3.41Å; A71-V74 PolarHBondContact O-N 3.34Å; V74-D77 PolarHBondContact O-N 2.79Å; V74-S78 WeakPolarHBondContact O-CB 3.24Å; V74-S78 PolarHBondContact O-N 2.92Å
75	L	93.2	Very high	94.1	Very high	13 Å²	13	76.7 Å²	76.7	7%	0.068	40%	0.398	C	S	.	.	H	α-helix	trans	-61.3	-43.7	174.8	-75.9	172.5	0	0	0	112.7	A71 V72 K73 S78 R80 P82 N163 L193	A71-L75 PolarHBondContact O-N 3.39Å; A71-L75 VanDerWaalsContact O-N 3.08Å; V72-L75 PolarHBondContact O-N 3.32Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.49Å; L75-S78 PolarHBondContact O-N 3.23Å; L75-S78 PolarHBondContact O-OG 2.97Å; L75-S78 VanDerWaalsContact O-OG 3.12Å; L75-R80 CarbonylContact C-O 3.58Å; L75-R80 CarbonylContact O-C 3.47Å; L75-R80 PolarHBondContact O-N 3.46Å; L75-R80 VanDerWaalsContact O-N 3.12Å; L75-R80 VanDerWaalsContact O-O 3.09Å; L75-P82 HydrophobicContact CB-CB 4.5Å; L75-P82 HydrophobicContact CB-CG 4.34Å; L75-P82 HydrophobicContact CD1-CB 4.5Å; L75-N163 HydrophobicContact CD1-CB 4.35Å; L75-L193 HydrophobicContact CD1-CD2 4.22Å
76	R	92.4	Very high	94.1	Very high	130 Å²	130	79 Å²	79	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-47.4	176.2	-173.9	-176.6	-65.8	168.9	-0.7	111	V72 K73 S78 G79	V72-R76 PolarHBondContact O-N 2.73Å; V72-R76 VanDerWaalsContact O-N 3.09Å; K73-R76 WeakPolarHBondContact O-CB 3.5Å; K73-R76 PolarHBondContact O-N 3.09Å; K73-R76 VanDerWaalsContact O-N 3.13Å; R76-S78 PolarHBondContact O-N 3.49Å; R76-G79 PolarHBondContact O-N 3.39Å; R76-G79 VanDerWaalsContact O-N 3.11Å
77	D	92.9	Very high	94.1	Very high	104 Å²	104	73.2 Å²	73.2	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-26	-178.6	-63.5	-14.8	0	0	0	112.2	K73 V74 G79	K73-D77 IonicContact NZ-OD1 2.66Å; K73-D77 IonicContact NZ-OD2 2.8Å; K73-D77 PolarHBondContact NZ-OD2 2.93Å; K73-D77 VanDerWaalsContact O-CG 3.25Å; K73-D77 PolarHBondContact O-N 3.41Å; V74-D77 PolarHBondContact O-N 2.79Å; D77-G79 PolarHBondContact O-N 3.31Å
78	S	91.2	Very high	94.2	Very high	63 Å²	63	73.2 Å²	73.2	44%	0.441	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	9.1	175.1	88.2	0	0	0	0	114.1	V74 L75 R76 R80	V74-S78 WeakPolarHBondContact O-CB 3.24Å; V74-S78 PolarHBondContact O-N 2.92Å; L75-S78 PolarHBondContact O-N 3.23Å; L75-S78 PolarHBondContact O-OG 2.97Å; L75-S78 VanDerWaalsContact O-OG 3.12Å; R76-S78 PolarHBondContact O-N 3.49Å; S78-R80 PolarHBondContact O-N 2.62Å
79	G	88.4	Confident	94.3	Very high	69 Å²	69	76.4 Å²	76.4	71%	0.711	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	3.3	-176.7	0	0	0	0	0	115.1	R76 D77 H81	R76-G79 PolarHBondContact O-N 3.39Å; R76-G79 VanDerWaalsContact O-N 3.11Å; D77-G79 PolarHBondContact O-N 3.31Å; G79-H81 PolarHBondContact O-N 3.09Å
80	R	85.7	Confident	94.4	Very high	122 Å²	122	78 Å²	78	46%	0.46	42%	0.418	S	S	.	.			trans	-95.4	79.2	178.6	-67.5	-171.7	-179.1	124.6	-6.8	109.3	L75 S78 P82 R159	L75-R80 CarbonylContact C-O 3.58Å; L75-R80 CarbonylContact O-C 3.47Å; L75-R80 PolarHBondContact O-N 3.46Å; L75-R80 VanDerWaalsContact O-N 3.12Å; L75-R80 VanDerWaalsContact O-O 3.09Å; S78-R80 PolarHBondContact O-N 2.62Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; R80-P82 VanDerWaalsContact O-N 3.08Å; R80-R159 VanDerWaalsContact CD-NH1 3.31Å; R80-R159 VanDerWaalsContact NH2-CD 3.25Å
81	H	88	Confident	94.4	Very high	101 Å²	101	76.4 Å²	76.4	47%	0.468	40%	0.402	S	S	.	.			trans	-57.7	112.4	-169.9	-156.3	-86.9	0	0	0	111.9	G79 Y83	G79-H81 PolarHBondContact O-N 3.09Å; H81-Y83 PolarHBondContact CE1-O 3.22Å; H81-Y83 PolarHBondContact ND1-N 3.38Å; H81-Y83 PolarHBondContact ND1-O 2.72Å; H81-Y83 PolarHBondContact O-N 3.09Å; H81-Y83 VanDerWaalsContact O-N 3.14Å
82	P	94.2	Very high	94.6	Very high	3 Å²	3	75.8 Å²	75.8	2%	0.019	40%	0.395	C	S	.	.	S	Bend	trans	-75.9	0.1	-175.3	27.9	-30.1	0	0	0	113.6	V72 L75 R80 L193 L194 P196	V72-P82 HydrophobicContact CG1-CB 4.3Å; V72-P82 HydrophobicContact CG1-CG 3.78Å; L75-P82 HydrophobicContact CB-CB 4.5Å; L75-P82 HydrophobicContact CB-CG 4.34Å; L75-P82 HydrophobicContact CD1-CB 4.5Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; R80-P82 VanDerWaalsContact O-N 3.08Å; P82-L193 HydrophobicContact CB-CD2 4.17Å; P82-L194 CarbonylContact O-C 3.55Å; P82-P196 HydrophobicContact CB-CG 4.26Å; P82-P196 VanDerWaalsContact O-CD 3.25Å; P82-P196 WeakPolarHBondContact O-CD 3.25Å
83	Y	96.7	Very high	94.6	Very high	70 Å²	70	75.5 Å²	75.5	28%	0.275	39%	0.394	S	S	.	.	S	Bend	trans	-129.6	67.8	177.1	-57.6	-90.7	0	0	0	109.8	V72 H81 T195 P196	V72-Y83 HydrophobicContact CG1-CE2 3.96Å; H81-Y83 PolarHBondContact CE1-O 3.22Å; H81-Y83 PolarHBondContact ND1-N 3.38Å; H81-Y83 PolarHBondContact ND1-O 2.72Å; H81-Y83 PolarHBondContact O-N 3.09Å; H81-Y83 VanDerWaalsContact O-N 3.14Å; Y83-T195 HydrophobicContact CD1-CG2 4.19Å; Y83-T195 HydrophobicContact CE1-CG2 3.9Å; Y83-P196 HydrophobicContact CE1-CG 4.2Å; Y83-P196 HydrophobicContact CE2-CG 4.11Å; Y83-P196 WeakPolarHBondContact OH-CG 3.37Å
84	P	96.3	Very high	94.7	Very high	33 Å²	33	72.5 Å²	72.5	21%	0.214	39%	0.385	C	S	.	.			trans	-58.3	149.6	178.2	26.2	-37.2	0	0	0	112	L194	P84-L194 WeakPolarHBondContact CD-O 3.42Å; P84-L194 HydrophobicContact CG-CD2 3.85Å
85	H	96.6	Very high	94.9	Very high	198 Å²	198	72.1 Å²	72.1	92%	0.917	38%	0.38	S	S	*	.	S	Bend	trans	-69.6	-33.6	-179	-71.6	82	0	0	0	113.2
86	K	96.9	Very high	95.1	Very high	143 Å²	143	71.5 Å²	71.5	62%	0.622	38%	0.376	S	S	*	.			trans	-148.8	141.1	-174	-179.5	64.6	-178.6	-177	0	111.1	D88	K86-D88 WeakPolarHBondContact CE-OD1 3.32Å; K86-D88 IonicContact NZ-OD1 3.53Å
87	F	97.6	Very high	95.4	Very high	31 Å²	31	67.4 Å²	67.4	14%	0.136	36%	0.364	C	S	.	.			trans	-135	124	163.8	-179.1	-98.5	0	0	0	107.7	V89 R114 I115 A116 G171 V173 Q192 L194	F87-V89 HydrophobicContact CD1-CG2 3.84Å; F87-V89 HydrophobicContact CE1-CG2 4.13Å; F87-V89 PolarHBondContact O-N 3.31Å; F87-R114 HydrophobicContact CE1-CB 4.48Å; F87-R114 HydrophobicContact CZ-CB 4.41Å; F87-I115 WeakPolarHBondContact CE1-O 3.25Å; F87-A116 HydrophobicContact CD1-CB 4.2Å; F87-A116 HydrophobicContact CE1-CB 4.18Å; F87-G171 VanDerWaalsContact CZ-CA 3.45Å; F87-V173 HydrophobicContact CE2-CG2 4.15Å; F87-V173 HydrophobicContact CZ-CG2 4.13Å; F87-Q192 VanDerWaalsContact CD2-OE1 3.32Å; F87-L194 HydrophobicContact CB-CD1 4Å; F87-L194 HydrophobicContact CB-CD2 3.68Å; F87-L194 HydrophobicContact CD1-CD1 3.99Å; F87-L194 HydrophobicContact CD2-CD2 3.91Å; F87-L194 HydrophobicContact CG-CD1 3.98Å; F87-L194 HydrophobicContact CG-CD2 3.83Å
88	D	97.4	Very high	95.6	Very high	94 Å²	94	67 Å²	67	50%	0.503	37%	0.369	S	S	.	.			trans	-83.7	96.5	-178.1	-67.8	-62.1	0	0	0	110.8	K86 R114	K86-D88 WeakPolarHBondContact CE-OD1 3.32Å; K86-D88 IonicContact NZ-OD1 3.53Å; D88-R114 WeakPolarHBondContact O-CB 3.39Å; D88-R114 WeakPolarHBondContact O-CD 3.47Å
89	V	98.4	Very high	96	Very high	77 Å²	77	67.2 Å²	67.2	47%	0.467	37%	0.368	S	S	.	.			trans	-72.2	124.9	171	179.4	0	0	0	0	108.9	F87 V91 A116	F87-V89 HydrophobicContact CD1-CG2 3.84Å; F87-V89 HydrophobicContact CE1-CG2 4.13Å; F87-V89 PolarHBondContact O-N 3.31Å; V89-V91 VanDerWaalsContact CG1-O 3.26Å; V89-V91 WeakPolarHBondContact CG1-O 3.5Å; V89-A116 HydrophobicContact CG2-CB 3.8Å
90	S	98	Very high	96.4	Very high	68 Å²	68	64.5 Å²	64.5	48%	0.476	34%	0.336	S	S	.	.			trans	-94.6	-22.8	-179.8	73.4	0	0	0	0	113.1	R114	S90-R114 PolarHBondContact N-O 2.86Å; S90-R114 PolarHBondContact OG-N 3.36Å; S90-R114 PolarHBondContact OG-O 2.71Å
91	V	97.7	Very high	96.9	Very high	23 Å²	23	61.6 Å²	61.6	14%	0.139	34%	0.335	C	S	.	.	S	Bend	trans	-150.8	139.1	-177.3	65.4	0	0	0	0	109.9	V89 D95 F96 V113 R114 I115	V89-V91 VanDerWaalsContact CG1-O 3.26Å; V89-V91 WeakPolarHBondContact CG1-O 3.5Å; V91-D95 HydrophobicContact CG2-CB 3.68Å; V91-F96 HydrophobicContact CG1-CB 4.3Å; V91-F96 HydrophobicContact CG1-CD2 4.1Å; V91-F96 HydrophobicContact CG2-CB 4.31Å; V91-V113 HydrophobicContact CG1-CB 3.93Å; V91-V113 HydrophobicContact CG1-CG1 4.38Å; V91-V113 HydrophobicContact CG1-CG2 4.37Å; V91-R114 PolarHBondContact N-O 3.12Å; V91-I115 HydrophobicContact CG1-CG2 3.63Å
92	S	98	Very high	97.4	Very high	28 Å²	28	63.3 Å²	63.3	20%	0.196	34%	0.343	C	S	.	.			trans	-70.1	162.8	174.6	76.2	0	0	0	0	110.9	T94 D95 F96 E137	S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 3.37Å; S92-D95 PolarHBondContact O-N 3.08Å; S92-D95 VanDerWaalsContact OG-CB 3.31Å; S92-D95 WeakPolarHBondContact OG-CB 3.34Å; S92-D95 PolarHBondContact OG-N 3.18Å; S92-D95 PolarHBondContact OG-OD2 2.77Å; S92-F96 VanDerWaalsContact O-CB 3.3Å; S92-F96 WeakPolarHBondContact O-CB 3.44Å; S92-F96 PolarHBondContact O-N 3.13Å; S92-E137 WeakPolarHBondContact CB-OE1 3.38Å; S92-E137 WeakPolarHBondContact CB-OE2 3.5Å
93	L	97.7	Very high	97.5	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-34.4	176.2	-94.1	57.8	0	0	0	111.1	I97 I115 A116 I134 E137 K139	L93-I97 WeakPolarHBondContact O-CD1 3.4Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.19Å; L93-I97 PolarHBondContact O-N 2.88Å; L93-I97 VanDerWaalsContact O-N 3.08Å; L93-I115 HydrophobicContact CD1-CB 3.94Å; L93-I115 HydrophobicContact CD1-CG2 4.39Å; L93-A116 VanDerWaalsContact CD1-O 3.3Å; L93-A116 WeakPolarHBondContact CD1-O 3.27Å; L93-I134 HydrophobicContact CD2-CD1 4.2Å; L93-I134 HydrophobicContact CD2-CG1 4.33Å; L93-E137 PolarHBondContact N-OE1 3.34Å; L93-E137 VanDerWaalsContact N-OE1 3.13Å; L93-E137 PolarHBondContact N-OE2 2.99Å; L93-K139 HydrophobicContact CB-CB 4.35Å
94	T	97.3	Very high	97.5	Very high	55 Å²	55	67.7 Å²	67.7	34%	0.337	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-48.3	174.7	-57.7	0	0	0	0	111.4	S92 I97 S98 E137	S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 3.37Å; T94-I97 PolarHBondContact O-N 3.25Å; T94-S98 PolarHBondContact O-N 2.86Å; T94-E137 VanDerWaalsContact CB-OE2 3.25Å; T94-E137 WeakPolarHBondContact CB-OE2 3.49Å; T94-E137 PolarHBondContact N-OE2 3.38Å; T94-E137 PolarHBondContact OG1-OE2 2.84Å
95	D	98.2	Very high	97.5	Very high	88 Å²	88	70.5 Å²	70.5	47%	0.471	38%	0.376	S	S	.	.	H	α-helix	trans	-72	-34.9	-179	-61	-35.7	0	0	0	112.2	V91 S92 I97 S98 T99	V91-D95 HydrophobicContact CG2-CB 3.68Å; S92-D95 PolarHBondContact O-N 3.08Å; S92-D95 VanDerWaalsContact OG-CB 3.31Å; S92-D95 WeakPolarHBondContact OG-CB 3.34Å; S92-D95 PolarHBondContact OG-N 3.18Å; S92-D95 PolarHBondContact OG-OD2 2.77Å; D95-I97 VanDerWaalsContact C-N 3.35Å; D95-S98 PolarHBondContact O-N 3.41Å; D95-T99 WeakPolarHBondContact O-CB 3.17Å; D95-T99 PolarHBondContact O-N 3.24Å; D95-T99 PolarHBondContact O-OG1 2.66Å
96	F	98.5	Very high	97.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-48.2	173.2	-176.7	-73.3	0	0	0	110.3	V91 S92 Y100 V113 I115 L141 P176 L184 I186	V91-F96 HydrophobicContact CG1-CB 4.3Å; V91-F96 HydrophobicContact CG1-CD2 4.1Å; V91-F96 HydrophobicContact CG2-CB 4.31Å; S92-F96 VanDerWaalsContact O-CB 3.3Å; S92-F96 WeakPolarHBondContact O-CB 3.44Å; S92-F96 PolarHBondContact O-N 3.13Å; F96-Y100 HydrophobicContact CB-CD2 4.43Å; F96-Y100 AromaticContact CD1-CD2 3.91Å; F96-Y100 HydrophobicContact CD1-CD2 3.91Å; F96-Y100 AromaticContact CD2-CD2 3.74Å; F96-Y100 HydrophobicContact CD2-CD2 3.74Å; F96-Y100 AromaticContact CD2-CE2 3.79Å; F96-Y100 HydrophobicContact CD2-CE2 3.79Å; F96-Y100 HydrophobicContact CE1-CD2 4Å; F96-Y100 AromaticContact CE2-CD2 3.89Å; F96-Y100 HydrophobicContact CE2-CD2 3.89Å; F96-Y100 HydrophobicContact CE2-CE2 4.05Å; F96-Y100 AromaticContact CG-CD2 3.76Å; F96-Y100 HydrophobicContact CG-CD2 3.76Å; F96-Y100 HydrophobicContact CG-CE2 4.17Å; F96-Y100 HydrophobicContact CZ-CD2 4.01Å; F96-Y100 WeakPolarHBondContact O-CB 3.16Å; F96-Y100 WeakPolarHBondContact O-CD2 3.43Å; F96-Y100 PolarHBondContact O-N 3.03Å; F96-V113 HydrophobicContact CD2-CG2 3.92Å; F96-V113 HydrophobicContact CE2-CG2 3.59Å; F96-I115 HydrophobicContact CD2-CG2 3.93Å; F96-L141 HydrophobicContact CD1-CD1 3.85Å; F96-L141 HydrophobicContact CD1-CD2 3.56Å; F96-L141 HydrophobicContact CD1-CG 4.37Å; F96-L141 HydrophobicContact CD2-CD2 4.34Å; F96-L141 HydrophobicContact CE1-CD1 3.6Å; F96-L141 HydrophobicContact CE1-CD2 3.6Å; F96-L141 HydrophobicContact CE1-CG 4.24Å; F96-L141 HydrophobicContact CE2-CD2 4.33Å; F96-L141 HydrophobicContact CG-CD2 3.97Å; F96-L141 HydrophobicContact CZ-CD2 3.99Å; F96-P176 HydrophobicContact CE2-CB 4.17Å; F96-P176 HydrophobicContact CE2-CG 4Å; F96-P176 HydrophobicContact CZ-CB 3.91Å; F96-P176 HydrophobicContact CZ-CG 4.26Å; F96-L184 HydrophobicContact CD1-CD2 4.24Å; F96-L184 HydrophobicContact CE1-CD1 4.34Å; F96-L184 HydrophobicContact CE1-CD2 4.1Å; F96-L184 HydrophobicContact CE1-CG 4.07Å; F96-I186 HydrophobicContact CE2-CB 4.38Å; F96-I186 HydrophobicContact CE2-CD1 4.49Å; F96-I186 HydrophobicContact CZ-CB 4.19Å
97	I	98	Very high	97.5	Very high	44 Å²	44	63.9 Å²	63.9	23%	0.226	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-47.7	179.8	-67.8	165.1	0	0	0	110.1	L93 T94 D95 T99 S101 K139 L184	L93-I97 WeakPolarHBondContact O-CD1 3.4Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.19Å; L93-I97 PolarHBondContact O-N 2.88Å; L93-I97 VanDerWaalsContact O-N 3.08Å; T94-I97 PolarHBondContact O-N 3.25Å; D95-I97 VanDerWaalsContact C-N 3.35Å; I97-T99 PolarHBondContact O-N 3.38Å; I97-S101 WeakPolarHBondContact O-CB 3.35Å; I97-S101 PolarHBondContact O-N 3.1Å; I97-S101 PolarHBondContact O-OG 3.42Å; I97-K139 HydrophobicContact CD1-CB 3.74Å; I97-K139 HydrophobicContact CD1-CD 4.4Å; I97-K139 HydrophobicContact CD1-CG 4.18Å; I97-L184 HydrophobicContact CB-CD2 4.47Å; I97-L184 HydrophobicContact CG1-CD2 4.25Å
98	S	97.8	Very high	97.4	Very high	95 Å²	95	66.6 Å²	66.6	66%	0.664	36%	0.363	S	S	*	.	H	α-helix	trans	-57.6	-49.3	179.1	-171.7	0	0	0	0	111.7	T94 D95	T94-S98 PolarHBondContact O-N 2.86Å; D95-S98 PolarHBondContact O-N 3.41Å
99	T	98	Very high	97.4	Very high	69 Å²	69	64.1 Å²	64.1	42%	0.423	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-47.3	-177	-56.9	0	0	0	0	112.1	D95 I97 H102	D95-T99 WeakPolarHBondContact O-CB 3.17Å; D95-T99 PolarHBondContact O-N 3.24Å; D95-T99 PolarHBondContact O-OG1 2.66Å; I97-T99 PolarHBondContact O-N 3.38Å; T99-H102 PolarHBondContact O-CE1 2.81Å; T99-H102 PolarHBondContact O-ND1 3.07Å
100	Y	98	Very high	97.2	Very high	12 Å²	12	65.9 Å²	65.9	5%	0.047	37%	0.365	C	S	.	.	H	α-helix	trans	-101.9	5.2	-168.7	-55.6	-64.2	0	0	0	114.9	F96 H102 L103 L109 E111 V113 P176 L184	F96-Y100 HydrophobicContact CB-CD2 4.43Å; F96-Y100 AromaticContact CD1-CD2 3.91Å; F96-Y100 HydrophobicContact CD1-CD2 3.91Å; F96-Y100 AromaticContact CD2-CD2 3.74Å; F96-Y100 HydrophobicContact CD2-CD2 3.74Å; F96-Y100 AromaticContact CD2-CE2 3.79Å; F96-Y100 HydrophobicContact CD2-CE2 3.79Å; F96-Y100 HydrophobicContact CE1-CD2 4Å; F96-Y100 AromaticContact CE2-CD2 3.89Å; F96-Y100 HydrophobicContact CE2-CD2 3.89Å; F96-Y100 HydrophobicContact CE2-CE2 4.05Å; F96-Y100 AromaticContact CG-CD2 3.76Å; F96-Y100 HydrophobicContact CG-CD2 3.76Å; F96-Y100 HydrophobicContact CG-CE2 4.17Å; F96-Y100 HydrophobicContact CZ-CD2 4.01Å; F96-Y100 WeakPolarHBondContact O-CB 3.16Å; F96-Y100 WeakPolarHBondContact O-CD2 3.43Å; F96-Y100 PolarHBondContact O-N 3.03Å; Y100-H102 PolarHBondContact O-N 2.88Å; Y100-L103 WeakPolarHBondContact O-CG 3.35Å; Y100-L103 PolarHBondContact O-N 3.14Å; Y100-L109 HydrophobicContact CD1-CD1 3.74Å; Y100-L109 HydrophobicContact CE1-CD1 3.71Å; Y100-E111 WeakPolarHBondContact CE1-OE2 3.35Å; Y100-E111 PolarHBondContact OH-OE1 2.86Å; Y100-E111 VanDerWaalsContact OH-OE1 3.11Å; Y100-E111 PolarHBondContact OH-OE2 3.15Å; Y100-V113 HydrophobicContact CE2-CG1 4.43Å; Y100-V113 WeakPolarHBondContact OH-CG1 3.42Å; Y100-P176 HydrophobicContact CD1-CB 3.75Å; Y100-P176 HydrophobicContact CD1-CG 3.99Å; Y100-P176 HydrophobicContact CD2-CB 3.85Å; Y100-P176 HydrophobicContact CD2-CG 3.89Å; Y100-P176 HydrophobicContact CE1-CB 4Å; Y100-P176 HydrophobicContact CE1-CG 3.7Å; Y100-P176 HydrophobicContact CE2-CB 4.11Å; Y100-P176 HydrophobicContact CE2-CG 3.6Å; Y100-P176 HydrophobicContact CG-CB 3.68Å; Y100-P176 HydrophobicContact CG-CG 4.09Å; Y100-L184 WeakPolarHBondContact O-CD1 3.43Å
101	S	96.7	Very high	97.1	Very high	61 Å²	61	67.2 Å²	67.2	43%	0.427	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.2	177.5	-79	0	0	0	0	114.1	I97 R178	I97-S101 WeakPolarHBondContact O-CB 3.35Å; I97-S101 PolarHBondContact O-N 3.1Å; I97-S101 PolarHBondContact O-OG 3.42Å; S101-R178 VanDerWaalsContact C-NH2 3.35Å; S101-R178 PolarHBondContact O-NH2 3.46Å
102	H	96.9	Very high	97.1	Very high	136 Å²	136	68.9 Å²	68.9	63%	0.63	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	179.4	67.1	-88.6	0	0	0	114.8	T99 Y100	T99-H102 PolarHBondContact O-CE1 2.81Å; T99-H102 PolarHBondContact O-ND1 3.07Å; Y100-H102 PolarHBondContact O-N 2.88Å
103	L	97.4	Very high	97.2	Very high	6 Å²	6	67.7 Å²	67.7	3%	0.031	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-57.4	140.8	-176.7	-69	178.5	0	0	0	112.3	Y100 E107 L109 P176 R178 L184	Y100-L103 WeakPolarHBondContact O-CG 3.35Å; Y100-L103 PolarHBondContact O-N 3.14Å; L103-E107 HydrophobicContact CD2-CG 4.09Å; L103-L109 HydrophobicContact CD1-CG 4.35Å; L103-L109 HydrophobicContact CD2-CD1 3.9Å; L103-L109 HydrophobicContact CD2-CD2 3.68Å; L103-L109 HydrophobicContact CD2-CG 3.71Å; L103-P176 HydrophobicContact CD1-CB 4.08Å; L103-R178 HydrophobicContact CB-CB 4.26Å; L103-R178 VanDerWaalsContact O-CD 3.26Å; L103-R178 WeakPolarHBondContact O-CD 3.43Å; L103-R178 PolarHBondContact O-NE 2.85Å; L103-L184 HydrophobicContact CD1-CD1 4.23Å
104	K	97	Very high	97.2	Very high	160 Å²	160	73.2 Å²	73.2	70%	0.696	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-77.8	157.9	174.8	-64.8	176.9	-176.3	172.8	0	110.7	E106 E107 R178	K104-E106 PolarHBondContact O-N 2.65Å; K104-E107 HydrophobicContact CB-CB 4.49Å; K104-E107 PolarHBondContact N-OE2 3.37Å; K104-E107 WeakPolarHBondContact O-CB 3.44Å; K104-E107 PolarHBondContact O-N 2.88Å; K104-E107 VanDerWaalsContact O-N 3.15Å; K104-R178 WeakPolarHBondContact O-CB 3.44Å
105	N	96.5	Very high	97.3	Very high	92 Å²	92	70.6 Å²	70.6	49%	0.492	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	137.9	175.4	-66.5	-3.7	0	0	0	110.7	E107 R178 G182	N105-E107 PolarHBondContact O-N 3.33Å; N105-R178 VanDerWaalsContact OD1-CD 3.26Å; N105-R178 WeakPolarHBondContact OD1-CD 3.28Å; N105-G182 VanDerWaalsContact OD1-CA 3.29Å; N105-G182 WeakPolarHBondContact OD1-CA 3.47Å
106	E	94.9	Very high	97.3	Very high	131 Å²	131	67.2 Å²	67.2	61%	0.612	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	3.6	-179.2	-51.2	-176.7	97.5	0	0	115.1	K104 R178 K180	K104-E106 PolarHBondContact O-N 2.65Å; E106-R178 VanDerWaalsContact CA-O 3.23Å; E106-R178 WeakPolarHBondContact CA-O 3.44Å; E106-R178 PolarHBondContact N-O 3.49Å; E106-K180 HydrophobicContact CG-CB 3.8Å; E106-K180 HydrophobicContact CG-CG 4.25Å
107	E	96.8	Very high	97.3	Very high	71 Å²	71	67.5 Å²	67.5	33%	0.332	36%	0.358	S	S	.	.			trans	-71.8	137.3	172.6	-167.1	169.3	-165.5	0	0	110.7	L103 K104 N105 L109 S177 R178	L103-E107 HydrophobicContact CD2-CG 4.09Å; K104-E107 HydrophobicContact CB-CB 4.49Å; K104-E107 PolarHBondContact N-OE2 3.37Å; K104-E107 WeakPolarHBondContact O-CB 3.44Å; K104-E107 PolarHBondContact O-N 2.88Å; K104-E107 VanDerWaalsContact O-N 3.15Å; N105-E107 PolarHBondContact O-N 3.33Å; E107-L109 HydrophobicContact CG-CD2 4.39Å; E107-S177 CarbonylContact O-C 3.59Å; E107-S177 WeakPolarHBondContact O-CA 3.37Å; E107-S177 WeakPolarHBondContact O-CB 3.44Å; E107-S177 PolarHBondContact O-OG 3.16Å; E107-R178 PolarHBondContact O-N 3.05Å
108	I	96.1	Very high	97.3	Very high	87 Å²	87	68.5 Å²	68.5	45%	0.446	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-130.8	118.2	170.9	-59.1	169.6	0	0	0	106.3	Y175 S177	I108-Y175 HydrophobicContact CG2-CG 4.45Å; I108-S177 VanDerWaalsContact CG1-OG 3.28Å; I108-S177 WeakPolarHBondContact CG1-OG 3.3Å
109	L	96.9	Very high	97.3	Very high	42 Å²	42	64 Å²	64	22%	0.22	33%	0.327	C	S	.	.			trans	-75.1	157.4	175.7	-62.6	-171.5	0	0	0	111.2	Y100 L103 E107 Y175 P176	Y100-L109 HydrophobicContact CD1-CD1 3.74Å; Y100-L109 HydrophobicContact CE1-CD1 3.71Å; L103-L109 HydrophobicContact CD1-CG 4.35Å; L103-L109 HydrophobicContact CD2-CD1 3.9Å; L103-L109 HydrophobicContact CD2-CD2 3.68Å; L103-L109 HydrophobicContact CD2-CG 3.71Å; E107-L109 HydrophobicContact CG-CD2 4.39Å; L109-Y175 WeakPolarHBondContact O-CB 3.38Å; L109-Y175 WeakPolarHBondContact O-CD1 3.29Å; L109-P176 HydrophobicContact CB-CB 4.49Å; L109-P176 HydrophobicContact CD1-CB 4.19Å; L109-P176 HydrophobicContact CD1-CG 4.45Å; L109-P176 HydrophobicContact CG-CB 4.45Å; L109-P176 PolarHBondContact N-O 3.44Å
110	S	95.1	Very high	97.1	Very high	114 Å²	114	61.1 Å²	61.1	80%	0.797	31%	0.309	S	S	*	.	S	Bend	trans	-83.8	-14.9	172.7	54.8	0	0	0	0	113.3	V112 Y175	S110-V112 PolarHBondContact O-N 3.14Å; S110-Y175 WeakPolarHBondContact O-CE1 3.33Å
111	E	96.6	Very high	96.9	Very high	97 Å²	97	62.1 Å²	62.1	45%	0.453	32%	0.317	S	S	.	.			trans	-61.7	131.7	178.3	-171.5	-176.8	178	0	0	110.8	Y100 V113 Y175 P176	Y100-E111 WeakPolarHBondContact CE1-OE2 3.35Å; Y100-E111 PolarHBondContact OH-OE1 2.86Å; Y100-E111 VanDerWaalsContact OH-OE1 3.11Å; Y100-E111 PolarHBondContact OH-OE2 3.15Å; E111-V113 HydrophobicContact CG-CG1 4.2Å; E111-Y175 WeakPolarHBondContact O-CD1 3.42Å; E111-P176 WeakPolarHBondContact O-CD 3.42Å
112	V	97.7	Very high	96.9	Very high	57 Å²	57	61.9 Å²	61.9	35%	0.345	31%	0.309	S	S	.	.			trans	-98.8	120.1	177.2	178.8	0	0	0	0	109	S110 V173 G174 Y175	S110-V112 PolarHBondContact O-N 3.14Å; V112-V173 HydrophobicContact CG1-CG1 3.57Å; V112-G174 WeakPolarHBondContact CA-O 3.41Å; V112-Y175 HydrophobicContact CG2-CD1 4.17Å; V112-Y175 HydrophobicContact CG2-CE1 3.52Å
113	V	98.2	Very high	96.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158	174.5	-58.8	0	0	0	0	111.2	V91 F96 Y100 E111 V173 G174 P176 I186	V91-V113 HydrophobicContact CG1-CB 3.93Å; V91-V113 HydrophobicContact CG1-CG1 4.38Å; V91-V113 HydrophobicContact CG1-CG2 4.37Å; F96-V113 HydrophobicContact CD2-CG2 3.92Å; F96-V113 HydrophobicContact CE2-CG2 3.59Å; Y100-V113 HydrophobicContact CE2-CG1 4.43Å; Y100-V113 WeakPolarHBondContact OH-CG1 3.42Å; E111-V113 HydrophobicContact CG-CG1 4.2Å; V113-V173 WeakPolarHBondContact O-CA 3.33Å; V113-G174 PolarHBondContact N-O 3.01Å; V113-G174 PolarHBondContact O-N 3.43Å; V113-P176 HydrophobicContact CG1-CG 4.35Å; V113-P176 HydrophobicContact CG2-CG 4Å; V113-I186 HydrophobicContact CG2-CD1 4Å
114	R	98.6	Very high	96.7	Very high	117 Å²	117	67.2 Å²	67.2	44%	0.442	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.3	-179.7	-52.1	-174.3	-178.1	107.9	-1.9	108.9	F87 D88 S90 V91 C172 V173	F87-R114 HydrophobicContact CE1-CB 4.48Å; F87-R114 HydrophobicContact CZ-CB 4.41Å; D88-R114 WeakPolarHBondContact O-CB 3.39Å; D88-R114 WeakPolarHBondContact O-CD 3.47Å; S90-R114 PolarHBondContact N-O 2.86Å; S90-R114 PolarHBondContact OG-N 3.36Å; S90-R114 PolarHBondContact OG-O 2.71Å; V91-R114 PolarHBondContact N-O 3.12Å; R114-C172 WeakPolarHBondContact CA-O 3.43Å; R114-V173 HydrophobicContact CB-CG2 4.45Å; R114-V173 HydrophobicContact CG-CB 4.42Å; R114-V173 HydrophobicContact CG-CG1 4.06Å; R114-V173 HydrophobicContact CG-CG2 3.92Å
115	I	98.5	Very high	96.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	159.6	179.5	64.7	172.3	0	0	0	110.2	F87 V91 L93 F96 I134 L141 G171 C172 I186	F87-I115 WeakPolarHBondContact CE1-O 3.25Å; V91-I115 HydrophobicContact CG1-CG2 3.63Å; L93-I115 HydrophobicContact CD1-CB 3.94Å; L93-I115 HydrophobicContact CD1-CG2 4.39Å; F96-I115 HydrophobicContact CD2-CG2 3.93Å; I115-I134 HydrophobicContact CD1-CD1 3.61Å; I115-I134 HydrophobicContact CG1-CD1 4.22Å; I115-L141 HydrophobicContact CD1-CD2 3.42Å; I115-L141 VanDerWaalsContact CD1-CD2 3.42Å; I115-G171 WeakPolarHBondContact O-CA 3.04Å; I115-C172 HydrophobicContact CG1-CB 3.92Å; I115-C172 PolarHBondContact N-O 2.68Å; I115-C172 PolarHBondContact O-N 3.15Å; I115-I186 HydrophobicContact CD1-CB 4.18Å; I115-I186 HydrophobicContact CD1-CD1 3.88Å; I115-I186 HydrophobicContact CD1-CG2 3.67Å; I115-I186 HydrophobicContact CG1-CD1 3.86Å
116	A	98.6	Very high	96.3	Very high	18 Å²	18	60 Å²	60	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.2	172.5	0	0	0	0	0	111.2	F87 V89 L93 L170 L194	F87-A116 HydrophobicContact CD1-CB 4.2Å; F87-A116 HydrophobicContact CE1-CB 4.18Å; V89-A116 HydrophobicContact CG2-CB 3.8Å; L93-A116 VanDerWaalsContact CD1-O 3.3Å; L93-A116 WeakPolarHBondContact CD1-O 3.27Å; A116-L170 CarbonylContact C-O 3.56Å; A116-L170 VanDerWaalsContact CA-O 3.25Å; A116-L170 WeakPolarHBondContact CA-O 3.18Å; A116-L194 HydrophobicContact CB-CD1 4Å
117	G	98.1	Very high	96.1	Very high	6 Å²	6	59.9 Å²	59.9	6%	0.062	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	173.8	176.7	0	0	0	0	0	112.8	L170	G117-L170 PolarHBondContact N-O 2.98Å; G117-L170 PolarHBondContact O-N 2.9Å
118	R	98	Very high	96	Very high	65 Å²	65	61.3 Å²	61.3	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.2	177	-172.2	178	-60.3	-82.2	7.9	111	H120 I134 R135 G167 D168 I169 M223	R118-H120 PolarHBondContact O-N 2.55Å; R118-H120 PolarHBondContact O-ND1 2.82Å; R118-I134 CarbonylContact O-C 3.58Å; R118-I134 WeakPolarHBondContact O-CA 3.49Å; R118-R135 PolarHBondContact N-O 2.75Å; R118-R135 PolarHBondContact O-N 3.15Å; R118-G167 VanDerWaalsContact CG-O 3.29Å; R118-G167 WeakPolarHBondContact CG-O 3.46Å; R118-G167 PolarHBondContact NH1-O 3.4Å; R118-D168 CarbonylContact C-O 3.49Å; R118-D168 WeakPolarHBondContact CA-O 3.4Å; R118-I169 HydrophobicContact CB-CD1 3.74Å; R118-I169 HydrophobicContact CG-CD1 3.97Å; R118-I169 VanDerWaalsContact CZ-CD1 3.4Å; R118-M223 VanDerWaalsContact CZ-SD 3.59Å; R118-M223 PolarHBondContact NE-SD 3.37Å
119	V	97.6	Very high	96.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	114.6	173.6	-178.3	0	0	0	0	109.6	S121 Y132 D133 I134 I164 G167 D168 L170	V119-S121 WeakPolarHBondContact CG1-O 3.46Å; V119-Y132 HydrophobicContact CG1-CD1 3.81Å; V119-Y132 HydrophobicContact CG2-CD1 4.42Å; V119-D133 CarbonylContact C-O 3.53Å; V119-I134 HydrophobicContact CG2-CG2 4.3Å; V119-I164 HydrophobicContact CG2-CG2 4.02Å; V119-G167 WeakPolarHBondContact O-CA 3.49Å; V119-G167 PolarHBondContact O-N 2.83Å; V119-D168 HydrophobicContact CG2-CB 4.48Å; V119-D168 PolarHBondContact N-O 2.68Å; V119-L170 HydrophobicContact CG2-CB 3.81Å; V119-L170 HydrophobicContact CG2-CD2 4.05Å
120	H	94.7	Very high	96.1	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-28.8	175.9	-83.2	64.2	0	0	0	112.7	R118 D133 R135 R166 L204 M223	R118-H120 PolarHBondContact O-N 2.55Å; R118-H120 PolarHBondContact O-ND1 2.82Å; H120-D133 PolarHBondContact N-O 2.84Å; H120-R135 HydrophobicContact CB-CG 4.26Å; H120-R135 WeakPolarHBondContact ND1-CG 3.43Å; H120-R166 WeakPolarHBondContact O-CD 3.44Å; H120-R166 WeakPolarHBondContact O-CG 3.18Å; H120-R166 PolarHBondContact O-NE 2.79Å; H120-R166 VanDerWaalsContact O-NE 3.08Å; H120-L204 HydrophobicContact CB-CD1 4.34Å; H120-M223 PolarHBondContact NE2-O 2.79Å; H120-M223 VanDerWaalsContact NE2-O 3.1Å
121	S	94.6	Very high	96.3	Very high	32 Å²	32	53.4 Å²	53.4	22%	0.224	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.2	174.8	86.5	0	0	0	0	110.5	V119 Y132 D133	V119-S121 WeakPolarHBondContact CG1-O 3.46Å; S121-Y132 WeakPolarHBondContact O-CA 3.34Å; S121-D133 PolarHBondContact O-N 2.68Å; S121-D133 VanDerWaalsContact O-N 3.1Å; S121-D133 VanDerWaalsContact OG-CB 3.31Å; S121-D133 WeakPolarHBondContact OG-CB 3.4Å; S121-D133 PolarHBondContact OG-OD2 3.43Å
122	K	95.4	Very high	96.3	Very high	57 Å²	57	48.8 Å²	48.8	25%	0.248	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.7	168.6	176.8	-175	179	-161.2	0	106.9	E124 I130 Y132 N161	K122-E124 WeakPolarHBondContact CE-OE1 3.4Å; K122-E124 IonicContact NZ-OE1 2.96Å; K122-E124 PolarHBondContact NZ-OE1 2.98Å; K122-I130 HydrophobicContact CG-CG2 4.11Å; K122-Y132 HydrophobicContact CB-CD1 3.93Å; K122-Y132 HydrophobicContact CB-CE1 3.87Å; K122-Y132 HydrophobicContact CD-CE1 3.74Å; K122-Y132 HydrophobicContact CG-CD1 3.97Å; K122-Y132 HydrophobicContact CG-CE1 3.48Å; K122-Y132 VanDerWaalsContact CG-CE1 3.48Å; K122-N161 PolarHBondContact NZ-O 2.86Å
123	R	95.2	Very high	96.3	Very high	136 Å²	136	47.2 Å²	47.2	51%	0.513	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120.7	-179.5	179.8	173.3	52.6	97.7	6	110.3	F131	R123-F131 PolarHBondContact N-O 2.96Å; R123-F131 PolarHBondContact O-N 3.33Å
124	E	94.6	Very high	96.3	Very high	117 Å²	117	47.1 Å²	47.1	55%	0.547	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.5	-179.3	-56.1	-174.7	174.6	0	0	109.6	K122 I130	K122-E124 WeakPolarHBondContact CE-OE1 3.4Å; K122-E124 IonicContact NZ-OE1 2.96Å; K122-E124 PolarHBondContact NZ-OE1 2.98Å; E124-I130 HydrophobicContact CB-CG1 4.46Å; E124-I130 HydrophobicContact CG-CD1 4.27Å; E124-I130 HydrophobicContact CG-CG1 4.1Å; E124-I130 HydrophobicContact CG-CG2 4.3Å
125	A	93.1	Very high	96.2	Very high	59 Å²	59	44.4 Å²	44.4	49%	0.488	23%	0.225	S	C	.	.	S	Bend	trans	-104.8	24.5	174.9	0	0	0	0	0	111.4	L129 F131	A125-L129 HydrophobicContact CB-CD2 4.16Å; A125-L129 HydrophobicContact CB-CG 4.26Å; A125-L129 PolarHBondContact N-O 3.14Å; A125-F131 HydrophobicContact CB-CD2 4.1Å; A125-F131 HydrophobicContact CB-CE2 3.69Å
126	G	92.9	Very high	96	Very high	41 Å²	41	46.3 Å²	46.3	42%	0.423	24%	0.239	S	C	.	.	S	Bend	trans	127.5	167.4	-171.3	0	0	0	0	0	111.4	K128 L129	G126-K128 PolarHBondContact O-N 3.11Å; G126-K128 VanDerWaalsContact O-N 3.14Å; G126-L129 PolarHBondContact O-N 3.39Å; G126-L129 VanDerWaalsContact O-O 3.13Å
127	Q	90.9	Very high	95.7	Very high	130 Å²	130	48.8 Å²	48.8	61%	0.607	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.4	-176.6	-68.9	-178	5.9	0	0	114.1	F157	Q127-F157 WeakPolarHBondContact O-CE1 3.1Å
128	K	95.2	Very high	95.4	Very high	101 Å²	101	50.1 Å²	50.1	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	2.4	-175.7	-58.2	-165.4	-170.6	-148.8	0	113.9	G126 N146 A147 E154	G126-K128 PolarHBondContact O-N 3.11Å; G126-K128 VanDerWaalsContact O-N 3.14Å; K128-N146 WeakPolarHBondContact O-CA 3.37Å; K128-N146 PolarHBondContact O-OD1 3.45Å; K128-A147 HydrophobicContact CB-CB 3.86Å; K128-A147 HydrophobicContact CD-CB 4.46Å; K128-A147 HydrophobicContact CG-CB 4.16Å; K128-A147 PolarHBondContact O-N 3.37Å; K128-E154 WeakPolarHBondContact CE-OE1 3.33Å; K128-E154 IonicContact NZ-OE1 2.67Å; K128-E154 PolarHBondContact NZ-OE1 2.81Å; K128-E154 IonicContact NZ-OE2 3.76Å; K128-E154 PolarHBondContact NZ-OE2 3.46Å
129	L	97	Very high	95.2	Very high	47 Å²	47	51.5 Å²	51.5	25%	0.246	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	112.2	-178.5	-177.7	62.8	0	0	0	110.4	A125 G126 F131 M144 A145 N146	A125-L129 HydrophobicContact CB-CD2 4.16Å; A125-L129 HydrophobicContact CB-CG 4.26Å; A125-L129 PolarHBondContact N-O 3.14Å; G126-L129 PolarHBondContact O-N 3.39Å; G126-L129 VanDerWaalsContact O-O 3.13Å; L129-F131 HydrophobicContact CD1-CE2 4.25Å; L129-F131 HydrophobicContact CD1-CZ 4.03Å; L129-F131 HydrophobicContact CD2-CE2 3.8Å; L129-F131 HydrophobicContact CD2-CZ 3.82Å; L129-F131 HydrophobicContact CG-CE2 3.72Å; L129-F131 HydrophobicContact CG-CZ 3.93Å; L129-M144 HydrophobicContact CD1-CG 3.91Å; L129-A145 WeakPolarHBondContact CA-O 3.42Å; L129-N146 HydrophobicContact CD1-CB 4.14Å
130	I	98	Very high	95.1	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.7	-177.7	-58.7	176.4	0	0	0	108.3	K122 E124 Y132 A145 F157 N161	K122-I130 HydrophobicContact CG-CG2 4.11Å; E124-I130 HydrophobicContact CB-CG1 4.46Å; E124-I130 HydrophobicContact CG-CD1 4.27Å; E124-I130 HydrophobicContact CG-CG1 4.1Å; E124-I130 HydrophobicContact CG-CG2 4.3Å; I130-Y132 HydrophobicContact CB-CE2 4.38Å; I130-Y132 HydrophobicContact CG2-CD2 4.31Å; I130-Y132 HydrophobicContact CG2-CE1 4.38Å; I130-Y132 HydrophobicContact CG2-CE2 3.68Å; I130-A145 PolarHBondContact N-O 2.81Å; I130-A145 WeakPolarHBondContact O-CA 3.45Å; I130-A145 WeakPolarHBondContact O-CB 3.49Å; I130-A145 PolarHBondContact O-N 2.88Å; I130-F157 HydrophobicContact CD1-CE1 4.38Å; I130-F157 HydrophobicContact CD1-CZ 4.38Å; I130-F157 HydrophobicContact CG1-CZ 4.38Å; I130-N161 HydrophobicContact CD1-CB 3.55Å; I130-N161 VanDerWaalsContact CD1-CG 3.5Å
131	F	98.1	Very high	95.3	Very high	23 Å²	23	56.9 Å²	56.9	10%	0.101	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.2	177	-62.9	-86.2	0	0	0	109.5	R123 A125 L129 Q142 V143 M144	R123-F131 PolarHBondContact N-O 2.96Å; R123-F131 PolarHBondContact O-N 3.33Å; A125-F131 HydrophobicContact CB-CD2 4.1Å; A125-F131 HydrophobicContact CB-CE2 3.69Å; L129-F131 HydrophobicContact CD1-CE2 4.25Å; L129-F131 HydrophobicContact CD1-CZ 4.03Å; L129-F131 HydrophobicContact CD2-CE2 3.8Å; L129-F131 HydrophobicContact CD2-CZ 3.82Å; L129-F131 HydrophobicContact CG-CE2 3.72Å; L129-F131 HydrophobicContact CG-CZ 3.93Å; F131-Q142 HydrophobicContact CD1-CG 4.11Å; F131-V143 WeakPolarHBondContact CA-O 3.41Å; F131-M144 HydrophobicContact CD1-CB 4.2Å; F131-M144 HydrophobicContact CD1-CG 4.13Å; F131-M144 HydrophobicContact CE1-CB 4.03Å; F131-M144 HydrophobicContact CE1-CG 3.53Å; F131-M144 HydrophobicContact CE1-SD 3.95Å; F131-M144 HydrophobicContact CZ-CG 4.22Å; F131-M144 HydrophobicContact CZ-SD 4.45Å
132	Y	98.3	Very high	95.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.9	167.1	-56.6	-89.7	0	0	0	109.8	V119 S121 K122 I130 Q142 V143 A145 N161 I164 M191	V119-Y132 HydrophobicContact CG1-CD1 3.81Å; V119-Y132 HydrophobicContact CG2-CD1 4.42Å; S121-Y132 WeakPolarHBondContact O-CA 3.34Å; K122-Y132 HydrophobicContact CB-CD1 3.93Å; K122-Y132 HydrophobicContact CB-CE1 3.87Å; K122-Y132 HydrophobicContact CD-CE1 3.74Å; K122-Y132 HydrophobicContact CG-CD1 3.97Å; K122-Y132 HydrophobicContact CG-CE1 3.48Å; K122-Y132 VanDerWaalsContact CG-CE1 3.48Å; I130-Y132 HydrophobicContact CB-CE2 4.38Å; I130-Y132 HydrophobicContact CG2-CD2 4.31Å; I130-Y132 HydrophobicContact CG2-CE1 4.38Å; I130-Y132 HydrophobicContact CG2-CE2 3.68Å; Y132-Q142 CarbonylContact O-C 3.54Å; Y132-Q142 WeakPolarHBondContact O-CA 3.36Å; Y132-V143 HydrophobicContact CD2-CB 4.33Å; Y132-V143 HydrophobicContact CD2-CG1 4.35Å; Y132-V143 PolarHBondContact N-O 3.36Å; Y132-V143 PolarHBondContact O-N 2.98Å; Y132-A145 HydrophobicContact CD2-CB 4.49Å; Y132-A145 HydrophobicContact CE2-CB 4.22Å; Y132-N161 WeakPolarHBondContact CE2-OD1 3.33Å; Y132-N161 PolarHBondContact OH-OD1 2.99Å; Y132-I164 HydrophobicContact CD1-CG2 4.14Å; Y132-I164 HydrophobicContact CE1-CB 4.12Å; Y132-I164 HydrophobicContact CE1-CG2 3.49Å; Y132-I164 VanDerWaalsContact CE1-CG2 3.49Å; Y132-M191 HydrophobicContact CD2-SD 4.45Å; Y132-M191 HydrophobicContact CE2-CE 4.27Å; Y132-M191 HydrophobicContact CE2-SD 4.16Å
133	D	97.1	Very high	95.6	Very high	25 Å²	25	53.1 Å²	53.1	13%	0.134	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.8	161.3	-68.9	-47.7	0	0	0	108.1	V119 H120 S121 R140	V119-D133 CarbonylContact C-O 3.53Å; H120-D133 PolarHBondContact N-O 2.84Å; S121-D133 PolarHBondContact O-N 2.68Å; S121-D133 VanDerWaalsContact O-N 3.1Å; S121-D133 VanDerWaalsContact OG-CB 3.31Å; S121-D133 WeakPolarHBondContact OG-CB 3.4Å; S121-D133 PolarHBondContact OG-OD2 3.43Å; D133-R140 VanDerWaalsContact CG-NE 3.27Å; D133-R140 IonicContact OD1-CZ 3.45Å; D133-R140 VanDerWaalsContact OD1-CZ 3.25Å; D133-R140 IonicContact OD1-NE 3.32Å; D133-R140 PolarHBondContact OD1-NE 2.73Å; D133-R140 IonicContact OD1-NH2 3.48Å; D133-R140 PolarHBondContact OD1-NH2 3.39Å; D133-R140 IonicContact OD2-CZ 3.14Å; D133-R140 IonicContact OD2-NE 2.73Å; D133-R140 IonicContact OD2-NH2 2.71Å; D133-R140 PolarHBondContact OD2-NH2 3.24Å; D133-R140 VanDerWaalsContact OD2-NH2 3.07Å
134	I	97.6	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.9	171.3	62.2	166.2	0	0	0	110	L93 I115 R118 V119 R140 L141 V143 L170	L93-I134 HydrophobicContact CD2-CD1 4.2Å; L93-I134 HydrophobicContact CD2-CG1 4.33Å; I115-I134 HydrophobicContact CD1-CD1 3.61Å; I115-I134 HydrophobicContact CG1-CD1 4.22Å; R118-I134 CarbonylContact O-C 3.58Å; R118-I134 WeakPolarHBondContact O-CA 3.49Å; V119-I134 HydrophobicContact CG2-CG2 4.3Å; I134-R140 WeakPolarHBondContact O-CA 3.29Å; I134-L141 HydrophobicContact CG1-CB 4.23Å; I134-L141 VanDerWaalsContact CG1-O 3.28Å; I134-L141 WeakPolarHBondContact CG1-O 3.35Å; I134-L141 PolarHBondContact N-O 2.89Å; I134-L141 PolarHBondContact O-N 3.48Å; I134-V143 HydrophobicContact CD1-CG2 4.04Å; I134-V143 HydrophobicContact CG1-CG2 4.04Å; I134-V143 HydrophobicContact CG2-CG2 3.9Å; I134-L170 HydrophobicContact CG2-CD2 4.36Å
135	R	96.1	Very high	95.9	Very high	60 Å²	60	42.5 Å²	42.5	23%	0.226	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.7	171.8	-56.2	-169.4	-176.2	-163.9	-6.5	111.9	R118 H120 K139 R140 D226	R118-R135 PolarHBondContact N-O 2.75Å; R118-R135 PolarHBondContact O-N 3.15Å; H120-R135 HydrophobicContact CB-CG 4.26Å; H120-R135 WeakPolarHBondContact ND1-CG 3.43Å; R135-K139 WeakPolarHBondContact CA-O 3.42Å; R135-K139 WeakPolarHBondContact CB-O 3.35Å; R135-R140 HydrophobicContact CG-CB 4.3Å; R135-D226 IonicContact CZ-OD2 2.76Å; R135-D226 VanDerWaalsContact NH1-CG 3.29Å; R135-D226 IonicContact NH1-OD1 3.35Å; R135-D226 PolarHBondContact NH1-OD1 3.08Å; R135-D226 VanDerWaalsContact NH1-OD1 3.13Å; R135-D226 IonicContact NH1-OD2 2.87Å; R135-D226 PolarHBondContact NH1-OD2 3.39Å
136	S	94.8	Very high	96.1	Very high	41 Å²	41	41.5 Å²	41.5	29%	0.287	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.2	168.7	-169.9	0	0	0	0	107.5	G138 K139	S136-G138 PolarHBondContact O-N 2.9Å; S136-K139 PolarHBondContact N-O 2.99Å; S136-K139 WeakPolarHBondContact O-CA 3.38Å; S136-K139 WeakPolarHBondContact O-CB 3.37Å; S136-K139 PolarHBondContact O-N 2.83Å; S136-K139 VanDerWaalsContact O-O 3.12Å
137	E	92.6	Very high	96.2	Very high	70 Å²	70	40 Å²	40	33%	0.327	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.4	172.9	-56.6	146.7	-135.8	0	0	115	S92 L93 T94 K139	S92-E137 WeakPolarHBondContact CB-OE1 3.38Å; S92-E137 WeakPolarHBondContact CB-OE2 3.5Å; L93-E137 PolarHBondContact N-OE1 3.34Å; L93-E137 VanDerWaalsContact N-OE1 3.13Å; L93-E137 PolarHBondContact N-OE2 2.99Å; T94-E137 VanDerWaalsContact CB-OE2 3.25Å; T94-E137 WeakPolarHBondContact CB-OE2 3.49Å; T94-E137 PolarHBondContact N-OE2 3.38Å; T94-E137 PolarHBondContact OG1-OE2 2.84Å; E137-K139 PolarHBondContact O-N 3.14Å
138	G	91.1	Very high	96.5	Very high	33 Å²	33	42.7 Å²	42.7	34%	0.34	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	14.9	-172.1	0	0	0	0	0	113.9	S136	S136-G138 PolarHBondContact O-N 2.9Å
139	K	94.7	Very high	96.4	Very high	94 Å²	94	40.7 Å²	40.7	41%	0.409	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.1	175.4	-56.8	-58.4	-178.6	-179.8	0	110.5	L93 I97 R135 S136 E137	L93-K139 HydrophobicContact CB-CB 4.35Å; I97-K139 HydrophobicContact CD1-CB 3.74Å; I97-K139 HydrophobicContact CD1-CD 4.4Å; I97-K139 HydrophobicContact CD1-CG 4.18Å; R135-K139 WeakPolarHBondContact CA-O 3.42Å; R135-K139 WeakPolarHBondContact CB-O 3.35Å; S136-K139 PolarHBondContact N-O 2.99Å; S136-K139 WeakPolarHBondContact O-CA 3.38Å; S136-K139 WeakPolarHBondContact O-CB 3.37Å; S136-K139 PolarHBondContact O-N 2.83Å; S136-K139 VanDerWaalsContact O-O 3.12Å; E137-K139 PolarHBondContact O-N 3.14Å
140	R	95.4	Very high	96.4	Very high	119 Å²	119	39.1 Å²	39.1	45%	0.449	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.8	173.7	175.1	-173.7	172	-157.1	-1.6	109	D133 I134 R135	D133-R140 VanDerWaalsContact CG-NE 3.27Å; D133-R140 IonicContact OD1-CZ 3.45Å; D133-R140 VanDerWaalsContact OD1-CZ 3.25Å; D133-R140 IonicContact OD1-NE 3.32Å; D133-R140 PolarHBondContact OD1-NE 2.73Å; D133-R140 IonicContact OD1-NH2 3.48Å; D133-R140 PolarHBondContact OD1-NH2 3.39Å; D133-R140 IonicContact OD2-CZ 3.14Å; D133-R140 IonicContact OD2-NE 2.73Å; D133-R140 IonicContact OD2-NH2 2.71Å; D133-R140 PolarHBondContact OD2-NH2 3.24Å; D133-R140 VanDerWaalsContact OD2-NH2 3.07Å; I134-R140 WeakPolarHBondContact O-CA 3.29Å; R135-R140 HydrophobicContact CG-CB 4.3Å
141	L	98.2	Very high	96.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141	169.3	-175.9	66	0	0	0	110.2	F96 I115 I134 L184	F96-L141 HydrophobicContact CD1-CD1 3.85Å; F96-L141 HydrophobicContact CD1-CD2 3.56Å; F96-L141 HydrophobicContact CD1-CG 4.37Å; F96-L141 HydrophobicContact CD2-CD2 4.34Å; F96-L141 HydrophobicContact CE1-CD1 3.6Å; F96-L141 HydrophobicContact CE1-CD2 3.6Å; F96-L141 HydrophobicContact CE1-CG 4.24Å; F96-L141 HydrophobicContact CE2-CD2 4.33Å; F96-L141 HydrophobicContact CG-CD2 3.97Å; F96-L141 HydrophobicContact CZ-CD2 3.99Å; I115-L141 HydrophobicContact CD1-CD2 3.42Å; I115-L141 VanDerWaalsContact CD1-CD2 3.42Å; I134-L141 HydrophobicContact CG1-CB 4.23Å; I134-L141 VanDerWaalsContact CG1-O 3.28Å; I134-L141 WeakPolarHBondContact CG1-O 3.35Å; I134-L141 PolarHBondContact N-O 2.89Å; I134-L141 PolarHBondContact O-N 3.48Å; L141-L184 HydrophobicContact CD1-CD2 4.21Å; L141-L184 HydrophobicContact CD1-CG 4.03Å
142	Q	98.6	Very high	96.2	Very high	11 Å²	11	45 Å²	45	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.9	175.4	-172.5	-179.7	-101.3	0	0	110.8	F131 Y132 E183 S185 I186	F131-Q142 HydrophobicContact CD1-CG 4.11Å; Y132-Q142 CarbonylContact O-C 3.54Å; Y132-Q142 WeakPolarHBondContact O-CA 3.36Å; Q142-E183 HydrophobicContact CB-CG 3.98Å; Q142-S185 PolarHBondContact NE2-OG 2.84Å; Q142-S185 CarbonylContact O-C 3.58Å; Q142-S185 WeakPolarHBondContact O-CA 3.38Å; Q142-I186 PolarHBondContact O-N 3.06Å
143	V	98.6	Very high	96.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.9	164.8	-176.4	0	0	0	0	107.3	F131 Y132 I134 A145 I186 P188 M191	F131-V143 WeakPolarHBondContact CA-O 3.41Å; Y132-V143 HydrophobicContact CD2-CB 4.33Å; Y132-V143 HydrophobicContact CD2-CG1 4.35Å; Y132-V143 PolarHBondContact N-O 3.36Å; Y132-V143 PolarHBondContact O-N 2.98Å; I134-V143 HydrophobicContact CD1-CG2 4.04Å; I134-V143 HydrophobicContact CG1-CG2 4.04Å; I134-V143 HydrophobicContact CG2-CG2 3.9Å; V143-A145 PolarHBondContact O-N 3.04Å; V143-I186 HydrophobicContact CB-CG2 4.15Å; V143-I186 HydrophobicContact CG1-CG2 4.13Å; V143-I186 HydrophobicContact CG2-CG2 3.83Å; V143-P188 HydrophobicContact CG1-CB 4.34Å; V143-P188 HydrophobicContact CG1-CG 3.67Å; V143-M191 HydrophobicContact CG1-SD 4.18Å
144	M	98	Very high	96	Very high	30 Å²	30	49.1 Å²	49.1	15%	0.148	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	82.3	176.3	-178.8	174.2	69.8	0	0	109.1	L129 F131 N146 T179 I186 V187 P188	L129-M144 HydrophobicContact CD1-CG 3.91Å; F131-M144 HydrophobicContact CD1-CB 4.2Å; F131-M144 HydrophobicContact CD1-CG 4.13Å; F131-M144 HydrophobicContact CE1-CB 4.03Å; F131-M144 HydrophobicContact CE1-CG 3.53Å; F131-M144 HydrophobicContact CE1-SD 3.95Å; F131-M144 HydrophobicContact CZ-CG 4.22Å; F131-M144 HydrophobicContact CZ-SD 4.45Å; M144-N146 PolarHBondContact O-N 2.82Å; M144-T179 HydrophobicContact SD-CG2 3.8Å; M144-I186 PolarHBondContact N-O 3.02Å; M144-V187 HydrophobicContact CE-CG2 3.45Å; M144-V187 VanDerWaalsContact CE-CG2 3.45Å; M144-P188 WeakPolarHBondContact O-CD 3.28Å
145	A	98	Very high	95.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.6	-177.8	0	0	0	0	0	110.5	L129 I130 Y132 V143 F157 P188 M191	L129-A145 WeakPolarHBondContact CA-O 3.42Å; I130-A145 PolarHBondContact N-O 2.81Å; I130-A145 WeakPolarHBondContact O-CA 3.45Å; I130-A145 WeakPolarHBondContact O-CB 3.49Å; I130-A145 PolarHBondContact O-N 2.88Å; Y132-A145 HydrophobicContact CD2-CB 4.49Å; Y132-A145 HydrophobicContact CE2-CB 4.22Å; V143-A145 PolarHBondContact O-N 3.04Å; A145-F157 HydrophobicContact CB-CE2 3.86Å; A145-F157 HydrophobicContact CB-CZ 4.42Å; A145-P188 HydrophobicContact CB-CG 3.83Å; A145-M191 HydrophobicContact CB-CE 3.94Å; A145-M191 HydrophobicContact CB-SD 4.16Å
146	N	96.3	Very high	95.9	Very high	37 Å²	37	56.8 Å²	56.8	20%	0.198	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.7	179	-171.4	-31.1	0	0	0	110.1	K128 L129 M144 K148 N149 Y150	K128-N146 WeakPolarHBondContact O-CA 3.37Å; K128-N146 PolarHBondContact O-OD1 3.45Å; L129-N146 HydrophobicContact CD1-CB 4.14Å; M144-N146 PolarHBondContact O-N 2.82Å; N146-K148 PolarHBondContact O-N 3.34Å; N146-K148 VanDerWaalsContact O-N 3.11Å; N146-K148 WeakPolarHBondContact OD1-CB 2.8Å; N146-K148 PolarHBondContact OD1-N 2.75Å; N146-N149 PolarHBondContact O-N 2.86Å; N146-Y150 PolarHBondContact O-N 2.79Å
147	A	96.5	Very high	96	Very high	9 Å²	9	54.9 Å²	54.9	7%	0.074	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-56.6	-30.9	-178.7	0	0	0	0	0	112.6	K128 N149 Y150 E154 F157	K128-A147 HydrophobicContact CB-CB 3.86Å; K128-A147 HydrophobicContact CD-CB 4.46Å; K128-A147 HydrophobicContact CG-CB 4.16Å; K128-A147 PolarHBondContact O-N 3.37Å; A147-N149 PolarHBondContact O-N 3.27Å; A147-Y150 PolarHBondContact O-N 3.32Å; A147-E154 HydrophobicContact CB-CG 4.32Å; A147-F157 HydrophobicContact CB-CB 4.49Å; A147-F157 HydrophobicContact CB-CD1 3.72Å; A147-F157 HydrophobicContact CB-CD2 4.31Å; A147-F157 HydrophobicContact CB-CE1 3.97Å; A147-F157 HydrophobicContact CB-CE2 4.5Å; A147-F157 HydrophobicContact CB-CG 3.91Å; A147-F157 HydrophobicContact CB-CZ 4.35Å
148	K	95.6	Very high	96.2	Very high	188 Å²	188	53.4 Å²	53.4	82%	0.817	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-65.7	-25.6	178.2	-65.5	-175	179.1	-175.9	0	113.7	N146	N146-K148 PolarHBondContact O-N 3.34Å; N146-K148 VanDerWaalsContact O-N 3.11Å; N146-K148 WeakPolarHBondContact OD1-CB 2.8Å; N146-K148 PolarHBondContact OD1-N 2.75Å
149	N	94.9	Very high	96.3	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-100.1	-5.5	-176.8	-61.8	103.7	0	0	0	112.8	N146 A147 A151 V187 K189	N146-N149 PolarHBondContact O-N 2.86Å; A147-N149 PolarHBondContact O-N 3.27Å; N149-A151 PolarHBondContact O-N 2.88Å; N149-V187 HydrophobicContact CB-CG1 3.58Å; N149-K189 WeakPolarHBondContact O-CA 3.34Å
150	Y	96.9	Very high	96.3	Very high	13 Å²	13	50 Å²	50	5%	0.051	26%	0.264	C	S	.	.			trans	-82.2	117.1	-174.4	-151.1	-96.4	0	0	0	111	N146 A147 A152 G153 E156 F157 I160 M191	N146-Y150 PolarHBondContact O-N 2.79Å; A147-Y150 PolarHBondContact O-N 3.32Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 HydrophobicContact CD1-CB 4.39Å; Y150-A152 HydrophobicContact CE1-CB 4.3Å; Y150-A152 PolarHBondContact O-N 2.84Å; Y150-G153 PolarHBondContact O-N 2.93Å; Y150-G153 VanDerWaalsContact O-N 3.09Å; Y150-E156 HydrophobicContact CE1-CB 4.25Å; Y150-E156 HydrophobicContact CE1-CG 3.76Å; Y150-F157 HydrophobicContact CD1-CB 3.93Å; Y150-F157 AromaticContact CD2-CD2 3.86Å; Y150-F157 HydrophobicContact CD2-CD2 3.86Å; Y150-F157 HydrophobicContact CG-CB 3.93Å; Y150-F157 AromaticContact CG-CD2 3.9Å; Y150-F157 HydrophobicContact CG-CD2 3.9Å; Y150-F157 HydrophobicContact CG-CG 4.43Å; Y150-I160 HydrophobicContact CE2-CG2 4.36Å; Y150-M191 HydrophobicContact CE2-CB 4.25Å; Y150-M191 HydrophobicContact CE2-CE 3.96Å; Y150-M191 HydrophobicContact CE2-CG 4.15Å; Y150-M191 PolarHBondContact OH-N 2.81Å; Y150-M191 PolarHBondContact OH-O 3.48Å
151	A	96.4	Very high	96.4	Very high	82 Å²	82	44.5 Å²	44.5	68%	0.678	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.1	-166.2	0	0	0	0	0	113.8	N149 G153 K189	N149-A151 PolarHBondContact O-N 2.88Å; A151-G153 PolarHBondContact O-N 3.13Å; A151-K189 HydrophobicContact CB-CB 4.32Å; A151-K189 WeakPolarHBondContact CB-O 3.23Å; A151-K189 PolarHBondContact N-O 3.1Å
152	A	95.5	Very high	96.2	Very high	70 Å²	70	48.9 Å²	48.9	58%	0.579	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4.2	178.9	0	0	0	0	0	113.8	Y150 E156	Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 HydrophobicContact CD1-CB 4.39Å; Y150-A152 HydrophobicContact CE1-CB 4.3Å; Y150-A152 PolarHBondContact O-N 2.84Å; A152-E156 HydrophobicContact CB-CB 3.67Å; A152-E156 HydrophobicContact CB-CG 3.62Å
153	G	95.6	Very high	96	Very high	31 Å²	31	49.9 Å²	49.9	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	89	176.5	177.7	0	0	0	0	0	115	Y150 A151 E155 F157	Y150-G153 PolarHBondContact O-N 2.93Å; Y150-G153 VanDerWaalsContact O-N 3.09Å; A151-G153 PolarHBondContact O-N 3.13Å; G153-E155 PolarHBondContact O-N 2.8Å; G153-F157 PolarHBondContact O-N 3.45Å; G153-F157 VanDerWaalsContact O-N 3.09Å
154	E	95.4	Very high	95.9	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-67.3	-33.3	-172.5	-175.2	170.1	162.8	0	0	113.2	K128 A147 F157 L158	K128-E154 WeakPolarHBondContact CE-OE1 3.33Å; K128-E154 IonicContact NZ-OE1 2.67Å; K128-E154 PolarHBondContact NZ-OE1 2.81Å; K128-E154 IonicContact NZ-OE2 3.76Å; K128-E154 PolarHBondContact NZ-OE2 3.46Å; A147-E154 HydrophobicContact CB-CG 4.32Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 3.32Å; E154-L158 HydrophobicContact CG-CD1 4.47Å; E154-L158 WeakPolarHBondContact O-CG 3.33Å; E154-L158 PolarHBondContact O-N 3.08Å
155	E	95.1	Very high	95.8	Very high	169 Å²	169	51 Å²	51	79%	0.79	28%	0.275	S	S	*	.	H	α-helix	trans	-64.3	-47.9	178.3	-175.2	178	177.3	0	0	111.6	G153 F157 L158 R159	G153-E155 PolarHBondContact O-N 2.8Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.71Å; E155-L158 PolarHBondContact O-N 2.64Å; E155-R159 WeakPolarHBondContact O-CB 3.36Å; E155-R159 PolarHBondContact O-N 3.21Å
156	E	95.6	Very high	95.7	Very high	53 Å²	53	53.2 Å²	53.2	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-36.7	177.2	-177.4	63	-169.3	0	0	111.5	Y150 A152 R159 I160	Y150-E156 HydrophobicContact CE1-CB 4.25Å; Y150-E156 HydrophobicContact CE1-CG 3.76Å; A152-E156 HydrophobicContact CB-CB 3.67Å; A152-E156 HydrophobicContact CB-CG 3.62Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 PolarHBondContact O-N 2.78Å; E156-R159 IonicContact OE1-CZ 2.73Å; E156-R159 VanDerWaalsContact OE1-CZ 3.31Å; E156-R159 IonicContact OE1-NE 3.68Å; E156-R159 PolarHBondContact OE1-NE 3.45Å; E156-R159 IonicContact OE1-NH2 3.62Å; E156-R159 PolarHBondContact OE1-NH2 2.87Å; E156-R159 WeakPolarHBondContact OE2-CD 3.36Å; E156-R159 IonicContact OE2-CZ 3.6Å; E156-R159 IonicContact OE2-NE 3.31Å; E156-R159 PolarHBondContact OE2-NE 3.48Å; E156-R159 IonicContact OE2-NH2 2.95Å; E156-I160 WeakPolarHBondContact O-CG2 3.42Å; E156-I160 PolarHBondContact O-N 2.86Å
157	F	97.2	Very high	95.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-52.3	171.6	175.6	-90.3	0	0	0	111	Q127 I130 A145 A147 Y150 G153 E154 E155 R159 I160 N161	Q127-F157 WeakPolarHBondContact O-CE1 3.1Å; I130-F157 HydrophobicContact CD1-CE1 4.38Å; I130-F157 HydrophobicContact CD1-CZ 4.38Å; I130-F157 HydrophobicContact CG1-CZ 4.38Å; A145-F157 HydrophobicContact CB-CE2 3.86Å; A145-F157 HydrophobicContact CB-CZ 4.42Å; A147-F157 HydrophobicContact CB-CB 4.49Å; A147-F157 HydrophobicContact CB-CD1 3.72Å; A147-F157 HydrophobicContact CB-CD2 4.31Å; A147-F157 HydrophobicContact CB-CE1 3.97Å; A147-F157 HydrophobicContact CB-CE2 4.5Å; A147-F157 HydrophobicContact CB-CG 3.91Å; A147-F157 HydrophobicContact CB-CZ 4.35Å; Y150-F157 HydrophobicContact CD1-CB 3.93Å; Y150-F157 AromaticContact CD2-CD2 3.86Å; Y150-F157 HydrophobicContact CD2-CD2 3.86Å; Y150-F157 HydrophobicContact CG-CB 3.93Å; Y150-F157 AromaticContact CG-CD2 3.9Å; Y150-F157 HydrophobicContact CG-CD2 3.9Å; Y150-F157 HydrophobicContact CG-CG 4.43Å; G153-F157 PolarHBondContact O-N 3.45Å; G153-F157 VanDerWaalsContact O-N 3.09Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 3.32Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.71Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 2.95Å; F157-I160 WeakPolarHBondContact O-CG2 3.31Å; F157-N161 WeakPolarHBondContact CD2-ND2 3.35Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.34Å; F157-N161 VanDerWaalsContact CE2-ND2 3.3Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.28Å; F157-N161 VanDerWaalsContact CZ-ND2 3.28Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.25Å; F157-N161 WeakPolarHBondContact O-CB 3.44Å; F157-N161 PolarHBondContact O-N 2.83Å; F157-N161 PolarHBondContact O-ND2 2.87Å
158	L	95.8	Very high	95.7	Very high	40 Å²	40	51 Å²	51	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-45.5	178.3	-70.5	175	0	0	0	110.9	E154 E155 I160 N161 D162	E154-L158 HydrophobicContact CG-CD1 4.47Å; E154-L158 WeakPolarHBondContact O-CG 3.33Å; E154-L158 PolarHBondContact O-N 3.08Å; E155-L158 PolarHBondContact O-N 2.64Å; L158-I160 PolarHBondContact O-N 2.74Å; L158-N161 PolarHBondContact O-N 3.1Å; L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 VanDerWaalsContact O-CG 3.29Å; L158-D162 PolarHBondContact O-N 2.92Å
159	R	94.4	Very high	95.9	Very high	49 Å²	49	44 Å²	44	19%	0.185	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-47.9	-178.8	-169.5	-160.5	73.3	69.6	-4	113.6	R80 E155 E156 F157 N161 D162 N163	R80-R159 VanDerWaalsContact CD-NH1 3.31Å; R80-R159 VanDerWaalsContact NH2-CD 3.25Å; E155-R159 WeakPolarHBondContact O-CB 3.36Å; E155-R159 PolarHBondContact O-N 3.21Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 PolarHBondContact O-N 2.78Å; E156-R159 IonicContact OE1-CZ 2.73Å; E156-R159 VanDerWaalsContact OE1-CZ 3.31Å; E156-R159 IonicContact OE1-NE 3.68Å; E156-R159 PolarHBondContact OE1-NE 3.45Å; E156-R159 IonicContact OE1-NH2 3.62Å; E156-R159 PolarHBondContact OE1-NH2 2.87Å; E156-R159 WeakPolarHBondContact OE2-CD 3.36Å; E156-R159 IonicContact OE2-CZ 3.6Å; E156-R159 IonicContact OE2-NE 3.31Å; E156-R159 PolarHBondContact OE2-NE 3.48Å; E156-R159 IonicContact OE2-NH2 2.95Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 2.95Å; R159-N161 VanDerWaalsContact C-N 3.33Å; R159-D162 PolarHBondContact O-N 2.85Å; R159-N163 PolarHBondContact NH1-ND2 2.89Å; R159-N163 PolarHBondContact O-N 3.43Å; R159-N163 PolarHBondContact O-ND2 2.84Å
160	I	95.4	Very high	96	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.036	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-40.1	-178.3	-170.2	60.3	0	0	0	110.6	Y150 E156 F157 L158 D162 N163 I164 M191	Y150-I160 HydrophobicContact CE2-CG2 4.36Å; E156-I160 WeakPolarHBondContact O-CG2 3.42Å; E156-I160 PolarHBondContact O-N 2.86Å; F157-I160 WeakPolarHBondContact O-CG2 3.31Å; L158-I160 PolarHBondContact O-N 2.74Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 3.46Å; I160-N163 PolarHBondContact O-N 3.41Å; I160-I164 HydrophobicContact CD1-CD1 4.38Å; I160-I164 HydrophobicContact CG1-CD1 3.83Å; I160-I164 HydrophobicContact CG1-CG1 4.41Å; I160-I164 WeakPolarHBondContact O-CG1 3.38Å; I160-I164 PolarHBondContact O-N 2.94Å; I160-I164 VanDerWaalsContact O-N 3.15Å; I160-M191 HydrophobicContact CG1-CB 4.19Å; I160-M191 HydrophobicContact CG2-CE 3.8Å
161	N	96.4	Very high	96.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-28.5	179.5	-72.1	-62	0	0	0	112.6	K122 I130 Y132 F157 L158 R159 N163	K122-N161 PolarHBondContact NZ-O 2.86Å; I130-N161 HydrophobicContact CD1-CB 3.55Å; I130-N161 VanDerWaalsContact CD1-CG 3.5Å; Y132-N161 WeakPolarHBondContact CE2-OD1 3.33Å; Y132-N161 PolarHBondContact OH-OD1 2.99Å; F157-N161 WeakPolarHBondContact CD2-ND2 3.35Å; F157-N161 WeakPolarHBondContact CE1-ND2 3.34Å; F157-N161 VanDerWaalsContact CE2-ND2 3.3Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.28Å; F157-N161 VanDerWaalsContact CZ-ND2 3.28Å; F157-N161 WeakPolarHBondContact CZ-ND2 3.25Å; F157-N161 WeakPolarHBondContact O-CB 3.44Å; F157-N161 PolarHBondContact O-N 2.83Å; F157-N161 PolarHBondContact O-ND2 2.87Å; L158-N161 PolarHBondContact O-N 3.1Å; R159-N161 VanDerWaalsContact C-N 3.33Å; N161-N163 PolarHBondContact O-N 2.86Å
162	D	94	Very high	96.2	Very high	94 Å²	94	36.7 Å²	36.7	50%	0.503	19%	0.191	S	C	.	.	H	α-helix	trans	-69.5	-17.6	171.9	-77.1	-12.3	0	0	0	113.2	L158 R159 I160 R165	L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 VanDerWaalsContact O-CG 3.29Å; L158-D162 PolarHBondContact O-N 2.92Å; R159-D162 PolarHBondContact O-N 2.85Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 3.46Å; D162-R165 VanDerWaalsContact C-NH1 3.33Å; D162-R165 PolarHBondContact O-NH1 2.93Å; D162-R165 PolarHBondContact O-NH2 3.41Å
163	N	93.8	Very high	96.3	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.171	17%	0.167	C	C	.	.	H	α-helix	trans	-100.9	-31.9	-178.2	-72.5	-55.3	0	0	0	114	R68 L75 R159 I160 N161	R68-N163 PolarHBondContact NH1-O 2.95Å; R68-N163 PolarHBondContact NH2-O 3.5Å; R68-N163 VanDerWaalsContact NH2-O 3.12Å; L75-N163 HydrophobicContact CD1-CB 4.35Å; R159-N163 PolarHBondContact NH1-ND2 2.89Å; R159-N163 PolarHBondContact O-N 3.43Å; R159-N163 PolarHBondContact O-ND2 2.84Å; I160-N163 PolarHBondContact O-N 3.41Å; N161-N163 PolarHBondContact O-N 2.86Å
164	I	96.8	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.			trans	-71.4	135.4	-179.8	-63.1	163.1	0	0	0	110.2	V119 Y132 I160 D168 L170 M191	V119-I164 HydrophobicContact CG2-CG2 4.02Å; Y132-I164 HydrophobicContact CD1-CG2 4.14Å; Y132-I164 HydrophobicContact CE1-CB 4.12Å; Y132-I164 HydrophobicContact CE1-CG2 3.49Å; Y132-I164 VanDerWaalsContact CE1-CG2 3.49Å; I160-I164 HydrophobicContact CD1-CD1 4.38Å; I160-I164 HydrophobicContact CG1-CD1 3.83Å; I160-I164 HydrophobicContact CG1-CG1 4.41Å; I160-I164 WeakPolarHBondContact O-CG1 3.38Å; I160-I164 PolarHBondContact O-N 2.94Å; I160-I164 VanDerWaalsContact O-N 3.15Å; I164-D168 WeakPolarHBondContact CA-OD2 3.16Å; I164-L170 HydrophobicContact CD1-CD1 3.47Å; I164-L170 VanDerWaalsContact CD1-CD1 3.47Å; I164-L170 HydrophobicContact CD1-CD2 4.33Å; I164-L170 HydrophobicContact CG1-CD1 4.09Å; I164-M191 HydrophobicContact CD1-CE 4.4Å
165	R	96	Very high	96.6	Very high	55 Å²	55	31.3 Å²	31.3	21%	0.208	15%	0.145	C	C	.	.			trans	-129	165.3	173.4	-63.7	-58.8	-175.5	-85.9	-2.9	111.5	E56 D162 G167 D168	E56-R165 WeakPolarHBondContact OE1-CD 3.49Å; E56-R165 IonicContact OE1-CZ 2.77Å; E56-R165 IonicContact OE1-NE 3.71Å; E56-R165 PolarHBondContact OE1-NE 3.32Å; E56-R165 IonicContact OE1-NH2 3.82Å; E56-R165 WeakPolarHBondContact OE2-CD 3.43Å; E56-R165 IonicContact OE2-NE 3.72Å; E56-R165 PolarHBondContact OE2-NE 3.38Å; D162-R165 VanDerWaalsContact C-NH1 3.33Å; D162-R165 PolarHBondContact O-NH1 2.93Å; D162-R165 PolarHBondContact O-NH2 3.41Å; R165-G167 PolarHBondContact O-N 3.32Å; R165-D168 PolarHBondContact N-OD2 3.47Å; R165-D168 WeakPolarHBondContact O-CB 3.36Å; R165-D168 VanDerWaalsContact O-CG 3.3Å; R165-D168 PolarHBondContact O-N 3.26Å
166	R	95.3	Very high	96.8	Very high	46 Å²	46	23.2 Å²	23.2	17%	0.174	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	131.5	169.3	178.7	173.1	175.4	-110.6	-14.4	109.5	H120 L201 P202	H120-R166 WeakPolarHBondContact O-CD 3.44Å; H120-R166 WeakPolarHBondContact O-CG 3.18Å; H120-R166 PolarHBondContact O-NE 2.79Å; H120-R166 VanDerWaalsContact O-NE 3.08Å; R166-L201 PolarHBondContact NH1-O 3.01Å; R166-P202 PolarHBondContact NH2-O 2.8Å
167	G	96.4	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-18.8	-178.7	0	0	0	0	0	114.5	R118 V119 R165 C197	R118-G167 VanDerWaalsContact CG-O 3.29Å; R118-G167 WeakPolarHBondContact CG-O 3.46Å; R118-G167 PolarHBondContact NH1-O 3.4Å; V119-G167 WeakPolarHBondContact O-CA 3.49Å; V119-G167 PolarHBondContact O-N 2.83Å; R165-G167 PolarHBondContact O-N 3.32Å; G167-C197 WeakPolarHBondContact O-CB 3.42Å
168	D	98.2	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.			trans	-61.9	150.2	179.9	-68.6	-11.7	0	0	0	112.1	R68 R118 V119 I164 R165 L193 P196 C197	R68-D168 IonicContact CZ-OD1 2.62Å; R68-D168 IonicContact CZ-OD2 2.72Å; R68-D168 IonicContact NH2-OD1 3.22Å; R68-D168 PolarHBondContact NH2-OD1 3.35Å; R68-D168 IonicContact NH2-OD2 3.37Å; R68-D168 PolarHBondContact NH2-OD2 2.99Å; R118-D168 CarbonylContact C-O 3.49Å; R118-D168 WeakPolarHBondContact CA-O 3.4Å; V119-D168 HydrophobicContact CG2-CB 4.48Å; V119-D168 PolarHBondContact N-O 2.68Å; I164-D168 WeakPolarHBondContact CA-OD2 3.16Å; R165-D168 PolarHBondContact N-OD2 3.47Å; R165-D168 WeakPolarHBondContact O-CB 3.36Å; R165-D168 VanDerWaalsContact O-CG 3.3Å; R165-D168 PolarHBondContact O-N 3.26Å; D168-L193 HydrophobicContact CB-CD1 3.67Å; D168-L193 WeakPolarHBondContact OD2-CD1 3.3Å; D168-P196 VanDerWaalsContact OD1-CA 3.27Å; D168-P196 WeakPolarHBondContact OD1-CA 3.07Å; D168-C197 PolarHBondContact OD1-N 2.96Å
169	I	98.4	Very high	96.9	Very high	40 Å²	40	21.3 Å²	21.3	21%	0.205	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.4	164.7	-52.2	-58.1	0	0	0	108.3	R118 L194 T195	R118-I169 HydrophobicContact CB-CD1 3.74Å; R118-I169 HydrophobicContact CG-CD1 3.97Å; R118-I169 VanDerWaalsContact CZ-CD1 3.4Å; I169-L194 HydrophobicContact CB-CB 4.24Å; I169-L194 HydrophobicContact CG2-CB 3.95Å; I169-L194 HydrophobicContact CG2-CD1 4.09Å; I169-L194 HydrophobicContact CG2-CG 4.47Å; I169-L194 WeakPolarHBondContact O-CB 3.26Å; I169-L194 PolarHBondContact O-N 3.1Å; I169-T195 PolarHBondContact N-O 2.97Å; I169-T195 PolarHBondContact O-N 3.2Å
170	L	98.4	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	-174.8	-175.9	66.6	0	0	0	110	A116 G117 V119 I134 I164 M191	A116-L170 CarbonylContact C-O 3.56Å; A116-L170 VanDerWaalsContact CA-O 3.25Å; A116-L170 WeakPolarHBondContact CA-O 3.18Å; G117-L170 PolarHBondContact N-O 2.98Å; G117-L170 PolarHBondContact O-N 2.9Å; V119-L170 HydrophobicContact CG2-CB 3.81Å; V119-L170 HydrophobicContact CG2-CD2 4.05Å; I134-L170 HydrophobicContact CG2-CD2 4.36Å; I164-L170 HydrophobicContact CD1-CD1 3.47Å; I164-L170 VanDerWaalsContact CD1-CD1 3.47Å; I164-L170 HydrophobicContact CD1-CD2 4.33Å; I164-L170 HydrophobicContact CG1-CD1 4.09Å; L170-M191 HydrophobicContact CD1-CB 4.19Å; L170-M191 HydrophobicContact CD2-SD 4.26Å
171	G	98.5	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.7	164.9	0	0	0	0	0	109.8	F87 I115 M191 Q192	F87-G171 VanDerWaalsContact CZ-CA 3.45Å; I115-G171 WeakPolarHBondContact O-CA 3.04Å; G171-M191 WeakPolarHBondContact O-CA 3.12Å; G171-Q192 PolarHBondContact N-O 3.22Å; G171-Q192 PolarHBondContact O-N 2.9Å
172	C	98.2	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	179	-65.8	0	0	0	0	109.8	R114 I115 I186	R114-C172 WeakPolarHBondContact CA-O 3.43Å; I115-C172 HydrophobicContact CG1-CB 3.92Å; I115-C172 PolarHBondContact N-O 2.68Å; I115-C172 PolarHBondContact O-N 3.15Å; C172-I186 HydrophobicContact CB-CD1 4.33Å; C172-I186 HydrophobicContact CB-CG2 4.5Å
173	V	98.6	Very high	97.1	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.6	168.2	-175.9	0	0	0	0	107.5	F87 V112 V113 R114 P188 K189 E190	F87-V173 HydrophobicContact CE2-CG2 4.15Å; F87-V173 HydrophobicContact CZ-CG2 4.13Å; V112-V173 HydrophobicContact CG1-CG1 3.57Å; V113-V173 WeakPolarHBondContact O-CA 3.33Å; R114-V173 HydrophobicContact CB-CG2 4.45Å; R114-V173 HydrophobicContact CG-CB 4.42Å; R114-V173 HydrophobicContact CG-CG1 4.06Å; R114-V173 HydrophobicContact CG-CG2 3.92Å; V173-P188 CarbonylContact O-C 3.55Å; V173-P188 WeakPolarHBondContact O-CA 3.4Å; V173-K189 HydrophobicContact CG1-CG 4.28Å; V173-K189 WeakPolarHBondContact O-CG 3.45Å; V173-K189 PolarHBondContact O-N 3.26Å; V173-E190 HydrophobicContact CB-CB 4.26Å; V173-E190 PolarHBondContact N-O 2.93Å; V173-E190 PolarHBondContact O-N 2.93Å; V173-E190 VanDerWaalsContact O-N 3.13Å
174	G	98.1	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	-164.8	-172.2	0	0	0	0	0	114.9	V112 V113 V187	V112-G174 WeakPolarHBondContact CA-O 3.41Å; V113-G174 PolarHBondContact N-O 3.01Å; V113-G174 PolarHBondContact O-N 3.43Å; G174-V187 CarbonylContact C-O 3.55Å; G174-V187 WeakPolarHBondContact CA-O 3.33Å
175	Y	98.2	Very high	97.4	Very high	59 Å²	59	35 Å²	35	23%	0.231	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	-170.4	-55.2	-74.8	0	0	0	110.8	I108 L109 S110 E111 V112 S177 I186 V187 K189	I108-Y175 HydrophobicContact CG2-CG 4.45Å; L109-Y175 WeakPolarHBondContact O-CB 3.38Å; L109-Y175 WeakPolarHBondContact O-CD1 3.29Å; S110-Y175 WeakPolarHBondContact O-CE1 3.33Å; E111-Y175 WeakPolarHBondContact O-CD1 3.42Å; V112-Y175 HydrophobicContact CG2-CD1 4.17Å; V112-Y175 HydrophobicContact CG2-CE1 3.52Å; Y175-S177 PolarHBondContact O-N 3.01Å; Y175-I186 CarbonylContact O-C 3.52Å; Y175-I186 WeakPolarHBondContact O-CA 3.19Å; Y175-V187 PolarHBondContact N-O 3.16Å; Y175-V187 PolarHBondContact O-N 3.25Å; Y175-K189 HydrophobicContact CE2-CB 4.01Å; Y175-K189 HydrophobicContact CE2-CD 4.46Å
176	P	98.4	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	135.2	168.7	-21.4	32.2	0	0	0	111.2	F96 Y100 L103 L109 E111 V113	F96-P176 HydrophobicContact CE2-CB 4.17Å; F96-P176 HydrophobicContact CE2-CG 4Å; F96-P176 HydrophobicContact CZ-CB 3.91Å; F96-P176 HydrophobicContact CZ-CG 4.26Å; Y100-P176 HydrophobicContact CD1-CB 3.75Å; Y100-P176 HydrophobicContact CD1-CG 3.99Å; Y100-P176 HydrophobicContact CD2-CB 3.85Å; Y100-P176 HydrophobicContact CD2-CG 3.89Å; Y100-P176 HydrophobicContact CE1-CB 4Å; Y100-P176 HydrophobicContact CE1-CG 3.7Å; Y100-P176 HydrophobicContact CE2-CB 4.11Å; Y100-P176 HydrophobicContact CE2-CG 3.6Å; Y100-P176 HydrophobicContact CG-CB 3.68Å; Y100-P176 HydrophobicContact CG-CG 4.09Å; L103-P176 HydrophobicContact CD1-CB 4.08Å; L109-P176 HydrophobicContact CB-CB 4.49Å; L109-P176 HydrophobicContact CD1-CB 4.19Å; L109-P176 HydrophobicContact CD1-CG 4.45Å; L109-P176 HydrophobicContact CG-CB 4.45Å; L109-P176 PolarHBondContact N-O 3.44Å; E111-P176 WeakPolarHBondContact O-CD 3.42Å; V113-P176 HydrophobicContact CG1-CG 4.35Å; V113-P176 HydrophobicContact CG2-CG 4Å
177	S	98.2	Very high	97.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163	-176.8	177.6	0	0	0	0	111.8	E107 I108 Y175 S185	E107-S177 CarbonylContact O-C 3.59Å; E107-S177 WeakPolarHBondContact O-CA 3.37Å; E107-S177 WeakPolarHBondContact O-CB 3.44Å; E107-S177 PolarHBondContact O-OG 3.16Å; I108-S177 VanDerWaalsContact CG1-OG 3.28Å; I108-S177 WeakPolarHBondContact CG1-OG 3.3Å; Y175-S177 PolarHBondContact O-N 3.01Å; S177-S185 PolarHBondContact N-O 3.4Å; S177-S185 CarbonylContact O-C 3.44Å; S177-S185 PolarHBondContact O-N 2.81Å
178	R	97.9	Very high	97.7	Very high	35 Å²	35	30.1 Å²	30.1	13%	0.132	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.8	164.4	-172.7	175.2	-64.6	-83.1	0.5	110.2	S101 L103 K104 N105 E106 E107 G182 E183	S101-R178 VanDerWaalsContact C-NH2 3.35Å; S101-R178 PolarHBondContact O-NH2 3.46Å; L103-R178 HydrophobicContact CB-CB 4.26Å; L103-R178 VanDerWaalsContact O-CD 3.26Å; L103-R178 WeakPolarHBondContact O-CD 3.43Å; L103-R178 PolarHBondContact O-NE 2.85Å; K104-R178 WeakPolarHBondContact O-CB 3.44Å; N105-R178 VanDerWaalsContact OD1-CD 3.26Å; N105-R178 WeakPolarHBondContact OD1-CD 3.28Å; E106-R178 VanDerWaalsContact CA-O 3.23Å; E106-R178 WeakPolarHBondContact CA-O 3.44Å; E106-R178 PolarHBondContact N-O 3.49Å; E107-R178 PolarHBondContact O-N 3.05Å; R178-G182 PolarHBondContact NH1-O 3.15Å; R178-E183 WeakPolarHBondContact CA-O 3.38Å
179	T	96.1	Very high	97.7	Very high	17 Å²	17	33.1 Å²	33.1	10%	0.104	15%	0.154	C	C	.	.			trans	-68.4	166.9	178	66.9	0	0	0	0	112	M144 K181 G182 E183 S185	M144-T179 HydrophobicContact SD-CG2 3.8Å; T179-K181 PolarHBondContact O-N 3.07Å; T179-K181 VanDerWaalsContact O-N 3.15Å; T179-K181 PolarHBondContact OG1-N 2.73Å; T179-G182 PolarHBondContact O-N 3.25Å; T179-E183 HydrophobicContact CG2-CB 4.33Å; T179-E183 PolarHBondContact N-O 3.28Å; T179-E183 WeakPolarHBondContact OG1-CB 3.15Å; T179-E183 PolarHBondContact OG1-N 3.36Å; T179-E183 VanDerWaalsContact OG1-N 3.1Å; T179-E183 PolarHBondContact OG1-O 3.16Å; T179-S185 WeakPolarHBondContact CG2-OG 3.45Å
180	K	94.9	Very high	97.7	Very high	155 Å²	155	35.8 Å²	35.8	67%	0.674	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.3	171.2	-175.6	171.8	-179	170.6	0	113.9	E106 G182	E106-K180 HydrophobicContact CG-CB 3.8Å; E106-K180 HydrophobicContact CG-CG 4.25Å; K180-G182 PolarHBondContact O-N 2.95Å
181	K	94.9	Very high	97.6	Very high	204 Å²	204	36.1 Å²	36.1	89%	0.887	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.7	178.1	-67.1	-168.9	177.1	-172.4	0	113.5	T179	T179-K181 PolarHBondContact O-N 3.07Å; T179-K181 VanDerWaalsContact O-N 3.15Å; T179-K181 PolarHBondContact OG1-N 2.73Å
182	G	96	Very high	97.6	Very high	21 Å²	21	39 Å²	39	22%	0.216	18%	0.18	C	C	.	.	S	Bend	trans	85.3	6.7	-179.5	0	0	0	0	0	115	N105 R178 T179 K180 L184	N105-G182 VanDerWaalsContact OD1-CA 3.29Å; N105-G182 WeakPolarHBondContact OD1-CA 3.47Å; R178-G182 PolarHBondContact NH1-O 3.15Å; T179-G182 PolarHBondContact O-N 3.25Å; K180-G182 PolarHBondContact O-N 2.95Å; G182-L184 PolarHBondContact O-N 3.42Å
183	E	97.2	Very high	97.5	Very high	73 Å²	73	39.8 Å²	39.8	34%	0.341	18%	0.184	S	C	.	.			trans	-76.8	122.5	176.3	-167.8	69	-169.7	0	0	110.9	Q142 R178 T179 S185	Q142-E183 HydrophobicContact CB-CG 3.98Å; R178-E183 WeakPolarHBondContact CA-O 3.38Å; T179-E183 HydrophobicContact CG2-CB 4.33Å; T179-E183 PolarHBondContact N-O 3.28Å; T179-E183 WeakPolarHBondContact OG1-CB 3.15Å; T179-E183 PolarHBondContact OG1-N 3.36Å; T179-E183 VanDerWaalsContact OG1-N 3.1Å; T179-E183 PolarHBondContact OG1-O 3.16Å; E183-S185 PolarHBondContact O-OG 3.24Å
184	L	98.3	Very high	97.5	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.9	173.1	-177.3	67.4	0	0	0	109.6	F96 I97 Y100 L103 L141 G182	F96-L184 HydrophobicContact CD1-CD2 4.24Å; F96-L184 HydrophobicContact CE1-CD1 4.34Å; F96-L184 HydrophobicContact CE1-CD2 4.1Å; F96-L184 HydrophobicContact CE1-CG 4.07Å; I97-L184 HydrophobicContact CB-CD2 4.47Å; I97-L184 HydrophobicContact CG1-CD2 4.25Å; Y100-L184 WeakPolarHBondContact O-CD1 3.43Å; L103-L184 HydrophobicContact CD1-CD1 4.23Å; L141-L184 HydrophobicContact CD1-CD2 4.21Å; L141-L184 HydrophobicContact CD1-CG 4.03Å; G182-L184 PolarHBondContact O-N 3.42Å
185	S	98.5	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.2	-170.8	-58.6	0	0	0	0	112.8	Q142 S177 T179 E183	Q142-S185 PolarHBondContact NE2-OG 2.84Å; Q142-S185 CarbonylContact O-C 3.58Å; Q142-S185 WeakPolarHBondContact O-CA 3.38Å; S177-S185 PolarHBondContact N-O 3.4Å; S177-S185 CarbonylContact O-C 3.44Å; S177-S185 PolarHBondContact O-N 2.81Å; T179-S185 WeakPolarHBondContact CG2-OG 3.45Å; E183-S185 PolarHBondContact O-OG 3.24Å
186	I	98.5	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.7	157.2	-170.7	171.6	0	0	0	109.3	F96 V113 I115 Q142 V143 M144 C172 Y175 P188	F96-I186 HydrophobicContact CE2-CB 4.38Å; F96-I186 HydrophobicContact CE2-CD1 4.49Å; F96-I186 HydrophobicContact CZ-CB 4.19Å; V113-I186 HydrophobicContact CG2-CD1 4Å; I115-I186 HydrophobicContact CD1-CB 4.18Å; I115-I186 HydrophobicContact CD1-CD1 3.88Å; I115-I186 HydrophobicContact CD1-CG2 3.67Å; I115-I186 HydrophobicContact CG1-CD1 3.86Å; Q142-I186 PolarHBondContact O-N 3.06Å; V143-I186 HydrophobicContact CB-CG2 4.15Å; V143-I186 HydrophobicContact CG1-CG2 4.13Å; V143-I186 HydrophobicContact CG2-CG2 3.83Å; M144-I186 PolarHBondContact N-O 3.02Å; C172-I186 HydrophobicContact CB-CD1 4.33Å; C172-I186 HydrophobicContact CB-CG2 4.5Å; Y175-I186 CarbonylContact O-C 3.52Å; Y175-I186 WeakPolarHBondContact O-CA 3.19Å; I186-P188 WeakPolarHBondContact O-CD 3.16Å
187	V	98.3	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	103.3	169.6	-179.2	0	0	0	0	107.8	M144 N149 G174 Y175 K189	M144-V187 HydrophobicContact CE-CG2 3.45Å; M144-V187 VanDerWaalsContact CE-CG2 3.45Å; N149-V187 HydrophobicContact CB-CG1 3.58Å; G174-V187 CarbonylContact C-O 3.55Å; G174-V187 WeakPolarHBondContact CA-O 3.33Å; Y175-V187 PolarHBondContact N-O 3.16Å; Y175-V187 PolarHBondContact O-N 3.25Å; V187-K189 PolarHBondContact O-N 3.16Å
188	P	98.1	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.2	-175.2	30.5	-34.1	0	0	0	110.7	V143 M144 A145 V173 I186 M191	V143-P188 HydrophobicContact CG1-CB 4.34Å; V143-P188 HydrophobicContact CG1-CG 3.67Å; M144-P188 WeakPolarHBondContact O-CD 3.28Å; A145-P188 HydrophobicContact CB-CG 3.83Å; V173-P188 CarbonylContact O-C 3.55Å; V173-P188 WeakPolarHBondContact O-CA 3.4Å; I186-P188 WeakPolarHBondContact O-CD 3.16Å; P188-M191 HydrophobicContact CB-CG 3.61Å; P188-M191 HydrophobicContact CB-SD 4.21Å; P188-M191 HydrophobicContact CG-CG 3.97Å; P188-M191 HydrophobicContact CG-SD 3.88Å
189	K	97.8	Very high	97.3	Very high	63 Å²	63	47.1 Å²	47.1	27%	0.274	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-22.7	161	70.9	173.6	-173.5	175.9	0	111.9	N149 A151 V173 Y175 V187	N149-K189 WeakPolarHBondContact O-CA 3.34Å; A151-K189 HydrophobicContact CB-CB 4.32Å; A151-K189 WeakPolarHBondContact CB-O 3.23Å; A151-K189 PolarHBondContact N-O 3.1Å; V173-K189 HydrophobicContact CG1-CG 4.28Å; V173-K189 WeakPolarHBondContact O-CG 3.45Å; V173-K189 PolarHBondContact O-N 3.26Å; Y175-K189 HydrophobicContact CE2-CB 4.01Å; Y175-K189 HydrophobicContact CE2-CD 4.46Å; V187-K189 PolarHBondContact O-N 3.16Å
190	E	97.7	Very high	97.1	Very high	95 Å²	95	48.8 Å²	48.8	44%	0.444	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	143.3	178.1	-178.5	-175.5	171.4	0	0	109.5	V173	V173-E190 HydrophobicContact CB-CB 4.26Å; V173-E190 PolarHBondContact N-O 2.93Å; V173-E190 PolarHBondContact O-N 2.93Å; V173-E190 VanDerWaalsContact O-N 3.13Å
191	M	97.8	Very high	97	Very high	7 Å²	7	42 Å²	42	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.7	172.8	-69	-173.1	-61.3	0	0	109.9	Y132 V143 A145 Y150 I160 I164 L170 G171 P188	Y132-M191 HydrophobicContact CD2-SD 4.45Å; Y132-M191 HydrophobicContact CE2-CE 4.27Å; Y132-M191 HydrophobicContact CE2-SD 4.16Å; V143-M191 HydrophobicContact CG1-SD 4.18Å; A145-M191 HydrophobicContact CB-CE 3.94Å; A145-M191 HydrophobicContact CB-SD 4.16Å; Y150-M191 HydrophobicContact CE2-CB 4.25Å; Y150-M191 HydrophobicContact CE2-CE 3.96Å; Y150-M191 HydrophobicContact CE2-CG 4.15Å; Y150-M191 PolarHBondContact OH-N 2.81Å; Y150-M191 PolarHBondContact OH-O 3.48Å; I160-M191 HydrophobicContact CG1-CB 4.19Å; I160-M191 HydrophobicContact CG2-CE 3.8Å; I164-M191 HydrophobicContact CD1-CE 4.4Å; L170-M191 HydrophobicContact CD1-CB 4.19Å; L170-M191 HydrophobicContact CD2-SD 4.26Å; G171-M191 WeakPolarHBondContact O-CA 3.12Å; P188-M191 HydrophobicContact CB-CG 3.61Å; P188-M191 HydrophobicContact CB-SD 4.21Å; P188-M191 HydrophobicContact CG-CG 3.97Å; P188-M191 HydrophobicContact CG-SD 3.88Å
192	Q	97.2	Very high	96.7	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	177.9	-169.6	180	13.1	0	0	110.4	F87 G171 L194	F87-Q192 VanDerWaalsContact CD2-OE1 3.32Å; G171-Q192 PolarHBondContact N-O 3.22Å; G171-Q192 PolarHBondContact O-N 2.9Å; Q192-L194 HydrophobicContact CB-CD2 4.11Å; Q192-L194 HydrophobicContact CG-CD2 3.96Å; Q192-L194 PolarHBondContact O-N 2.92Å
193	L	97.8	Very high	95.9	Very high	16 Å²	16	38 Å²	38	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.2	167	177.1	63.9	0	0	0	108.7	L75 P82 D168 P196	L75-L193 HydrophobicContact CD1-CD2 4.22Å; P82-L193 HydrophobicContact CB-CD2 4.17Å; D168-L193 HydrophobicContact CB-CD1 3.67Å; D168-L193 WeakPolarHBondContact OD2-CD1 3.3Å; L193-P196 HydrophobicContact CD2-CB 4.34Å
194	L	97.9	Very high	94.6	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-35.6	-177.8	-54.1	-175.1	0	0	0	112.4	P82 P84 F87 A116 I169 Q192	P82-L194 CarbonylContact O-C 3.55Å; P84-L194 WeakPolarHBondContact CD-O 3.42Å; P84-L194 HydrophobicContact CG-CD2 3.85Å; F87-L194 HydrophobicContact CB-CD1 4Å; F87-L194 HydrophobicContact CB-CD2 3.68Å; F87-L194 HydrophobicContact CD1-CD1 3.99Å; F87-L194 HydrophobicContact CD2-CD2 3.91Å; F87-L194 HydrophobicContact CG-CD1 3.98Å; F87-L194 HydrophobicContact CG-CD2 3.83Å; A116-L194 HydrophobicContact CB-CD1 4Å; I169-L194 HydrophobicContact CB-CB 4.24Å; I169-L194 HydrophobicContact CG2-CB 3.95Å; I169-L194 HydrophobicContact CG2-CD1 4.09Å; I169-L194 HydrophobicContact CG2-CG 4.47Å; I169-L194 WeakPolarHBondContact O-CB 3.26Å; I169-L194 PolarHBondContact O-N 3.1Å; Q192-L194 HydrophobicContact CB-CD2 4.11Å; Q192-L194 HydrophobicContact CG-CD2 3.96Å; Q192-L194 PolarHBondContact O-N 2.92Å
195	T	98.1	Very high	93.5	Very high	59 Å²	59	44.7 Å²	44.7	36%	0.362	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	118.2	176.3	-69.7	0	0	0	0	109.1	Y83 I169	Y83-T195 HydrophobicContact CD1-CG2 4.19Å; Y83-T195 HydrophobicContact CE1-CG2 3.9Å; I169-T195 PolarHBondContact N-O 2.97Å; I169-T195 PolarHBondContact O-N 3.2Å
196	P	98	Very high	92.3	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.052	26%	0.255	C	S	.	.			trans	-72	143.1	176.9	28.7	-35.1	0	0	0	112	V72 P82 Y83 D168 L193 L198	V72-P196 HydrophobicContact CB-CG 4.4Å; V72-P196 HydrophobicContact CG1-CG 3.84Å; V72-P196 HydrophobicContact CG2-CB 3.61Å; V72-P196 HydrophobicContact CG2-CG 3.57Å; P82-P196 HydrophobicContact CB-CG 4.26Å; P82-P196 VanDerWaalsContact O-CD 3.25Å; P82-P196 WeakPolarHBondContact O-CD 3.25Å; Y83-P196 HydrophobicContact CE1-CG 4.2Å; Y83-P196 HydrophobicContact CE2-CG 4.11Å; Y83-P196 WeakPolarHBondContact OH-CG 3.37Å; D168-P196 VanDerWaalsContact OD1-CA 3.27Å; D168-P196 WeakPolarHBondContact OD1-CA 3.07Å; L193-P196 HydrophobicContact CD2-CB 4.34Å; P196-L198 HydrophobicContact CB-CD2 4.4Å; P196-L198 HydrophobicContact CG-CD2 4.35Å
197	C	97.5	Very high	91.6	Very high	15 Å²	15	54.3 Å²	54.3	10%	0.101	27%	0.266	C	S	.	.			trans	-85.5	122	164.7	-174.2	0	0	0	0	109.1	R68 G167 D168 H199	R68-C197 WeakPolarHBondContact CG-O 3.33Å; R68-C197 PolarHBondContact NE-O 2.92Å; G167-C197 WeakPolarHBondContact O-CB 3.42Å; D168-C197 PolarHBondContact OD1-N 2.96Å; C197-H199 PolarHBondContact SG-O 2.85Å
198	L	97.3	Very high	91.2	Very high	39 Å²	39	55.1 Å²	55.1	20%	0.204	27%	0.27	C	S	.	.			trans	-88.6	-22.1	-178	-55.3	-174.8	0	0	0	112.7	Y65 R68 V72 P196	Y65-L198 WeakPolarHBondContact CA-O 3.34Å; Y65-L198 HydrophobicContact CD2-CB 3.83Å; Y65-L198 HydrophobicContact CE2-CB 3.84Å; Y65-L198 HydrophobicContact CE2-CD1 4.18Å; R68-L198 HydrophobicContact CG-CD2 4.16Å; V72-L198 HydrophobicContact CB-CD2 4.28Å; V72-L198 HydrophobicContact CG2-CD2 3.75Å; P196-L198 HydrophobicContact CB-CD2 4.4Å; P196-L198 HydrophobicContact CG-CD2 4.35Å
199	H	95.9	Very high	90.8	Very high	117 Å²	117	62.7 Å²	62.7	54%	0.542	30%	0.303	S	S	.	.	S	Bend	trans	-100.3	148.6	-179.2	-66.5	-80.5	0	0	0	111.5	Y65 C197 L201	Y65-H199 AromaticContact CD2-CE1 3.4Å; Y65-H199 WeakPolarHBondContact CD2-CE1 3.35Å; Y65-H199 AromaticContact CD2-ND1 3.75Å; Y65-H199 AromaticContact CD2-NE2 3.69Å; Y65-H199 AromaticContact CE2-CE1 3.73Å; Y65-H199 AromaticContact CE2-NE2 3.68Å; C197-H199 PolarHBondContact SG-O 2.85Å; H199-L201 PolarHBondContact O-N 2.76Å
200	M	92.5	Very high	90.5	Very high	52 Å²	52	64 Å²	64	26%	0.256	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-69.4	122.4	169.3	-178.3	166.8	52.3	0	0	109.2	L59 P61 Y64	L59-M200 WeakPolarHBondContact O-CE 3.45Å; P61-M200 HydrophobicContact CB-CE 3.99Å; P61-M200 HydrophobicContact CG-CE 3.51Å; Y64-M200 HydrophobicContact CD1-CB 3.92Å; Y64-M200 HydrophobicContact CD2-CB 4.48Å; Y64-M200 HydrophobicContact CE1-CB 4.41Å; Y64-M200 HydrophobicContact CG-CB 3.96Å
201	L	92.5	Very high	90.2	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.063	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-75.7	141.9	177.1	-65.2	-175.1	0	0	0	111.1	R166 H199 L220 M223	R166-L201 PolarHBondContact NH1-O 3.01Å; H199-L201 PolarHBondContact O-N 2.76Å; L201-L220 HydrophobicContact CD2-CD1 3.83Å; L201-M223 HydrophobicContact CD1-CE 3.81Å; L201-M223 HydrophobicContact CD2-CE 3.53Å; L201-M223 HydrophobicContact CG-CE 4.35Å
202	P	87.5	Confident	90	Very high	42 Å²	42	68.6 Å²	68.6	27%	0.273	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-52.8	145.5	173.2	-23.8	32.6	0	0	0	112	R166 L204 L208 L220	R166-P202 PolarHBondContact NH2-O 2.8Å; P202-L204 PolarHBondContact O-N 2.84Å; P202-L208 HydrophobicContact CG-CD1 4.23Å; P202-L220 HydrophobicContact CG-CD1 4.41Å; P202-L220 HydrophobicContact CG-CD2 3.94Å; P202-L220 HydrophobicContact CG-CG 4.41Å
203	H	78.9	Confident	89.8	Confident	100 Å²	100	67.9 Å²	67.9	46%	0.463	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-59.6	133.3	179.2	-96.6	-74.8	0	0	0	111.8	H205	H203-H205 VanDerWaalsContact C-N 3.27Å; H203-H205 PolarHBondContact O-N 3.23Å
204	L	71.7	Confident	89.7	Confident	61 Å²	61	68.3 Å²	68.3	32%	0.319	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-65.8	-26.9	-178.9	-66.8	171.6	0	0	0	113.3	H120 P202 Y206 G207 I224	H120-L204 HydrophobicContact CB-CD1 4.34Å; P202-L204 PolarHBondContact O-N 2.84Å; L204-Y206 PolarHBondContact O-N 3.15Å; L204-Y206 VanDerWaalsContact O-N 3.16Å; L204-G207 PolarHBondContact O-N 3.42Å; L204-I224 HydrophobicContact CD2-CD1 3.9Å; L204-I224 HydrophobicContact CD2-CG2 4.44Å
205	H	73.5	Confident	89.6	Confident	169 Å²	169	67.6 Å²	67.6	78%	0.782	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-57.5	-33	-173.1	-78.6	-66.6	0	0	0	114	H203	H203-H205 VanDerWaalsContact C-N 3.27Å; H203-H205 PolarHBondContact O-N 3.23Å
206	Y	73.7	Confident	89.5	Confident	181 Å²	181	68 Å²	68	71%	0.71	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-106.5	-7.9	-179.4	-57.6	-70.4	0	0	0	113.3	L204 K209	L204-Y206 PolarHBondContact O-N 3.15Å; L204-Y206 VanDerWaalsContact O-N 3.16Å; Y206-K209 WeakPolarHBondContact O-CE 3.38Å; Y206-K209 WeakPolarHBondContact O-CG 3.19Å
207	G	84.7	Confident	89.3	Confident	21 Å²	21	71 Å²	71	22%	0.216	34%	0.34	C	S	.	.			trans	63.3	-178.1	-165	0	0	0	0	0	112.6	L204	L204-G207 PolarHBondContact O-N 3.42Å
208	L	88.9	Confident	89.3	Confident	17 Å²	17	70.3 Å²	70.3	9%	0.089	34%	0.335	C	S	.	.			trans	-92	102.1	170.3	-178.7	65.6	0	0	0	107.9	P202 T213 R214 L220 I224 N225	P202-L208 HydrophobicContact CG-CD1 4.23Å; L208-T213 HydrophobicContact CD1-CG2 3.96Å; L208-T213 HydrophobicContact CD2-CG2 4.11Å; L208-R214 HydrophobicContact CB-CG 4.43Å; L208-R214 HydrophobicContact CD2-CG 3.82Å; L208-R214 HydrophobicContact CG-CG 3.78Å; L208-R214 WeakPolarHBondContact O-CD 3.5Å; L208-L220 HydrophobicContact CD2-CB 4.38Å; L208-L220 HydrophobicContact CD2-CD2 3.99Å; L208-L220 HydrophobicContact CD2-CG 4Å; L208-I224 HydrophobicContact CB-CB 4.32Å; L208-I224 HydrophobicContact CB-CG2 4.15Å; L208-N225 PolarHBondContact N-OD1 3.48Å; L208-N225 PolarHBondContact O-ND2 2.9Å
209	K	89.6	Confident	89.3	Confident	160 Å²	160	75 Å²	75	70%	0.696	35%	0.351	S	S	*	.			trans	-93.7	-31.1	-174.9	-63.7	-168.2	177.4	-170.4	0	114.7	Y206 Q211	Y206-K209 WeakPolarHBondContact O-CE 3.38Å; Y206-K209 WeakPolarHBondContact O-CG 3.19Å; K209-Q211 PolarHBondContact O-N 3.44Å
210	N	92.2	Very high	89.2	Confident	91 Å²	91	70.3 Å²	70.3	49%	0.487	33%	0.33	S	S	.	.			trans	-63.4	109.7	-176.9	176.6	-85.5	0	0	0	110	E212 T213 R214	N210-E212 VanDerWaalsContact C-N 3.3Å; N210-E212 PolarHBondContact O-N 3.06Å; N210-E212 PolarHBondContact OD1-N 2.89Å; N210-T213 PolarHBondContact O-N 3.48Å; N210-T213 WeakPolarHBondContact OD1-CB 3.41Å; N210-T213 PolarHBondContact OD1-N 2.73Å; N210-T213 PolarHBondContact OD1-OG1 3.11Å; N210-R214 WeakPolarHBondContact O-CG 3.43Å; N210-R214 PolarHBondContact O-N 3.18Å
211	Q	92.2	Very high	89.4	Confident	107 Å²	107	67.9 Å²	67.9	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-40.8	-173.8	-73.6	-178.7	-8.6	0	0	112.6	K209 T213 R214 Y215	K209-Q211 PolarHBondContact O-N 3.44Å; Q211-T213 PolarHBondContact O-N 3.27Å; Q211-R214 WeakPolarHBondContact O-CB 3.42Å; Q211-R214 PolarHBondContact O-N 3.16Å; Q211-R214 VanDerWaalsContact O-N 3.16Å; Q211-Y215 HydrophobicContact CB-CD2 4.37Å; Q211-Y215 HydrophobicContact CB-CE2 3.8Å; Q211-Y215 HydrophobicContact CG-CE2 4.46Å; Q211-Y215 VanDerWaalsContact O-CD2 3.25Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.28Å; Q211-Y215 PolarHBondContact O-N 3.49Å
212	E	92.6	Very high	89.5	Confident	91 Å²	91	69.4 Å²	69.4	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-46.7	179.1	-176.7	140.7	-159.7	0	0	112.4	N210 R214 Y215 R216 M561	N210-E212 VanDerWaalsContact C-N 3.3Å; N210-E212 PolarHBondContact O-N 3.06Å; N210-E212 PolarHBondContact OD1-N 2.89Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 3.33Å; E212-Y215 PolarHBondContact O-N 3.17Å; E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 WeakPolarHBondContact O-CG 3.49Å; E212-R216 PolarHBondContact O-N 2.97Å; E212-R216 IonicContact OE1-CZ 3.95Å; E212-R216 VanDerWaalsContact OE1-CZ 3.28Å; E212-R216 IonicContact OE1-NE 2.86Å; E212-R216 PolarHBondContact OE1-NE 2.7Å; E212-R216 IonicContact OE1-NH2 2.88Å; E212-R216 PolarHBondContact OE1-NH2 3.38Å; E212-M561 HydrophobicContact CG-CE 4.24Å
213	T	92.8	Very high	89.7	Confident	46 Å²	46	68.9 Å²	68.9	28%	0.282	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.7	-52.3	0	0	0	0	111.1	L208 N210 Q211 Y215 M217 L220	L208-T213 HydrophobicContact CD1-CG2 3.96Å; L208-T213 HydrophobicContact CD2-CG2 4.11Å; N210-T213 PolarHBondContact O-N 3.48Å; N210-T213 WeakPolarHBondContact OD1-CB 3.41Å; N210-T213 PolarHBondContact OD1-N 2.73Å; N210-T213 PolarHBondContact OD1-OG1 3.11Å; Q211-T213 PolarHBondContact O-N 3.27Å; T213-Y215 PolarHBondContact O-N 3.5Å; T213-M217 HydrophobicContact CG2-SD 4.12Å; T213-M217 WeakPolarHBondContact O-CA 3.43Å; T213-M217 WeakPolarHBondContact O-CB 3.29Å; T213-M217 PolarHBondContact O-N 3.03Å; T213-L220 HydrophobicContact CG2-CD2 4.49Å
214	R	96	Very high	90.3	Very high	24 Å²	24	64.7 Å²	64.7	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-44.4	178.7	-68	173.3	68.3	-140.2	-15.7	112.1	L208 N210 Q211 E212 M217 R218 D221 E554	L208-R214 HydrophobicContact CB-CG 4.43Å; L208-R214 HydrophobicContact CD2-CG 3.82Å; L208-R214 HydrophobicContact CG-CG 3.78Å; L208-R214 WeakPolarHBondContact O-CD 3.5Å; N210-R214 WeakPolarHBondContact O-CG 3.43Å; N210-R214 PolarHBondContact O-N 3.18Å; Q211-R214 WeakPolarHBondContact O-CB 3.42Å; Q211-R214 PolarHBondContact O-N 3.16Å; Q211-R214 VanDerWaalsContact O-N 3.16Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-R214 PolarHBondContact O-N 3.33Å; R214-M217 CarbonylContact O-C 3.54Å; R214-R218 WeakPolarHBondContact O-CA 3.15Å; R214-R218 PolarHBondContact O-N 2.87Å; R214-D221 HydrophobicContact CB-CB 4.05Å; R214-D221 HydrophobicContact CG-CB 4.31Å; R214-D221 WeakPolarHBondContact CG-OD1 3.26Å; R214-D221 IonicContact CZ-OD1 3.01Å; R214-D221 IonicContact CZ-OD2 3.28Å; R214-D221 IonicContact NE-OD1 3.43Å; R214-D221 PolarHBondContact NE-OD1 2.91Å; R214-D221 IonicContact NE-OD2 2.68Å; R214-D221 PolarHBondContact NE-OD2 3.31Å; R214-D221 IonicContact NH2-OD1 3.67Å; R214-D221 IonicContact NH2-OD2 2.73Å; R214-D221 PolarHBondContact NH2-OD2 2.87Å; R214-E554 IonicContact CZ-OE1 3.83Å; R214-E554 IonicContact CZ-OE2 3.01Å; R214-E554 IonicContact NH1-OE1 2.72Å; R214-E554 PolarHBondContact NH1-OE1 2.9Å; R214-E554 IonicContact NH1-OE2 3.67Å; R214-E554 PolarHBondContact NH1-OE2 2.84Å; R214-E554 IonicContact NH2-OE1 3.46Å; R214-E554 PolarHBondContact NH2-OE1 3.49Å; R214-E554 IonicContact NH2-OE2 3.07Å; R214-E554 PolarHBondContact NH2-OE2 3.32Å
215	Y	95.9	Very high	91.3	Very high	8 Å²	8	62.9 Å²	62.9	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-75.1	-39.8	-177.3	-59.9	-26.2	0	0	0	112.4	Q211 E212 T213 K553 E554 P559 M561	Q211-Y215 HydrophobicContact CB-CD2 4.37Å; Q211-Y215 HydrophobicContact CB-CE2 3.8Å; Q211-Y215 HydrophobicContact CG-CE2 4.46Å; Q211-Y215 VanDerWaalsContact O-CD2 3.25Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.28Å; Q211-Y215 PolarHBondContact O-N 3.49Å; E212-Y215 PolarHBondContact O-N 3.17Å; T213-Y215 PolarHBondContact O-N 3.5Å; Y215-K553 HydrophobicContact CD1-CB 4.18Å; Y215-K553 HydrophobicContact CD2-CB 3.93Å; Y215-K553 HydrophobicContact CD2-CD 3.67Å; Y215-K553 HydrophobicContact CD2-CG 4.43Å; Y215-K553 HydrophobicContact CE1-CB 3.89Å; Y215-K553 HydrophobicContact CE2-CB 3.6Å; Y215-K553 HydrophobicContact CE2-CD 3.7Å; Y215-K553 HydrophobicContact CE2-CG 4.28Å; Y215-K553 HydrophobicContact CG-CB 4.22Å; Y215-K553 HydrophobicContact CG-CD 4.49Å; Y215-E554 VanDerWaalsContact CE1-OE1 3.26Å; Y215-E554 WeakPolarHBondContact CE1-OE1 3.44Å; Y215-E554 VanDerWaalsContact CZ-OE1 3.32Å; Y215-E554 PolarHBondContact OH-OE1 3.04Å; Y215-P559 HydrophobicContact CD1-CG 4.38Å; Y215-P559 HydrophobicContact CG-CG 4.06Å; Y215-M561 HydrophobicContact CD2-CE 4.24Å; Y215-M561 HydrophobicContact CD2-SD 4.12Å; Y215-M561 HydrophobicContact CG-SD 4.46Å
216	R	94.9	Very high	91.8	Very high	66 Å²	66	58.2 Å²	58.2	25%	0.249	27%	0.273	C	S	.	.	H	α-helix	trans	-71.7	-38.6	176.1	-67.3	179.8	-172.6	-76.1	-4.4	112.6	E212 M561 K562 D564	E212-R216 WeakPolarHBondContact O-CB 3.49Å; E212-R216 WeakPolarHBondContact O-CG 3.49Å; E212-R216 PolarHBondContact O-N 2.97Å; E212-R216 IonicContact OE1-CZ 3.95Å; E212-R216 VanDerWaalsContact OE1-CZ 3.28Å; E212-R216 IonicContact OE1-NE 2.86Å; E212-R216 PolarHBondContact OE1-NE 2.7Å; E212-R216 IonicContact OE1-NH2 2.88Å; E212-R216 PolarHBondContact OE1-NH2 3.38Å; R216-M561 HydrophobicContact CG-CG 4.38Å; R216-K562 VanDerWaalsContact CZ-O 3.26Å; R216-K562 PolarHBondContact NH1-O 2.91Å; R216-K562 PolarHBondContact NH2-O 3.04Å; R216-D564 WeakPolarHBondContact CD-OD2 3.47Å; R216-D564 VanDerWaalsContact CZ-CG 3.4Å; R216-D564 IonicContact CZ-OD1 2.72Å; R216-D564 IonicContact CZ-OD2 3.51Å; R216-D564 IonicContact NE-OD1 3.7Å; R216-D564 PolarHBondContact NE-OD1 2.88Å; R216-D564 IonicContact NE-OD2 3.15Å; R216-D564 PolarHBondContact NE-OD2 3.19Å; R216-D564 IonicContact NH1-OD1 3.86Å; R216-D564 PolarHBondContact NH1-OD1 3.45Å; R216-D564 IonicContact NH1-OD2 2.77Å; R216-D564 PolarHBondContact NH1-OD2 3.43Å; R216-D564 IonicContact NH2-OD1 2.65Å; R216-D564 PolarHBondContact NH2-OD1 2.77Å; R216-D564 VanDerWaalsContact NH2-OD1 3.15Å
217	M	95.3	Very high	92.7	Very high	72 Å²	72	53.5 Å²	53.5	36%	0.355	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	58.8	-178.3	-54.6	-179.5	89.6	0	0	110.7	T213 R214 Y219 L220 D221	T213-M217 HydrophobicContact CG2-SD 4.12Å; T213-M217 WeakPolarHBondContact O-CA 3.43Å; T213-M217 WeakPolarHBondContact O-CB 3.29Å; T213-M217 PolarHBondContact O-N 3.03Å; R214-M217 CarbonylContact O-C 3.54Å; M217-Y219 HydrophobicContact CB-CE1 4.25Å; M217-Y219 HydrophobicContact CB-CE2 4.17Å; M217-Y219 HydrophobicContact CE-CE2 3.95Å; M217-Y219 WeakPolarHBondContact CE-OH 3.37Å; M217-Y219 PolarHBondContact O-N 2.85Å; M217-L220 HydrophobicContact CB-CB 4Å; M217-L220 WeakPolarHBondContact O-CA 3.26Å; M217-L220 VanDerWaalsContact O-CB 3.29Å; M217-L220 WeakPolarHBondContact O-CB 3.42Å; M217-L220 PolarHBondContact O-N 3.17Å; M217-L220 HydrophobicContact SD-CD2 4.34Å; M217-D221 PolarHBondContact O-N 2.71Å; M217-D221 VanDerWaalsContact O-N 3.16Å
218	R	97.4	Very high	93.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.5	-33.4	-176.8	-177.7	62.5	67.7	-179.5	12	113.8	R214 L220 D221 L222 K553 L556 L557 F558	R214-R218 WeakPolarHBondContact O-CA 3.15Å; R214-R218 PolarHBondContact O-N 2.87Å; R218-L220 VanDerWaalsContact C-N 3.28Å; R218-L220 PolarHBondContact O-N 2.84Å; R218-D221 IonicContact CZ-OD2 2.93Å; R218-D221 IonicContact NH1-OD2 3.26Å; R218-D221 PolarHBondContact NH1-OD2 2.68Å; R218-D221 WeakPolarHBondContact O-CB 3.16Å; R218-D221 PolarHBondContact O-N 3.13Å; R218-L222 HydrophobicContact CG-CD1 4.01Å; R218-L222 HydrophobicContact CG-CG 4.24Å; R218-L222 WeakPolarHBondContact O-CB 3.47Å; R218-L222 WeakPolarHBondContact O-CG 3.44Å; R218-L222 PolarHBondContact O-N 3.48Å; R218-K553 PolarHBondContact NH2-O 3.06Å; R218-L556 PolarHBondContact NH2-O 3.09Å; R218-L557 VanDerWaalsContact CB-O 3.28Å; R218-L557 WeakPolarHBondContact CB-O 3.5Å; R218-L557 HydrophobicContact CG-CD2 4.28Å; R218-L557 WeakPolarHBondContact CG-O 3.47Å; R218-L557 PolarHBondContact NE-O 2.74Å; R218-F558 HydrophobicContact CB-CD1 4.17Å; R218-F558 HydrophobicContact CB-CE1 3.85Å; R218-F558 HydrophobicContact CB-CZ 4.46Å
219	Y	96.2	Very high	93.4	Very high	138 Å²	138	56.1 Å²	56.1	54%	0.541	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-36.1	174.8	50.3	-92.5	0	0	0	112.5	M217 M223	M217-Y219 HydrophobicContact CB-CE1 4.25Å; M217-Y219 HydrophobicContact CB-CE2 4.17Å; M217-Y219 HydrophobicContact CE-CE2 3.95Å; M217-Y219 WeakPolarHBondContact CE-OH 3.37Å; M217-Y219 PolarHBondContact O-N 2.85Å; Y219-M223 WeakPolarHBondContact O-CB 3.25Å; Y219-M223 WeakPolarHBondContact O-CG 3.43Å; Y219-M223 PolarHBondContact O-N 3.07Å; Y219-M223 VanDerWaalsContact O-N 3.16Å
220	L	95	Very high	93.7	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-72.7	-40.5	174.9	-170.7	63.9	0	0	0	111.1	L201 P202 L208 T213 M217 R218 M223 I224	L201-L220 HydrophobicContact CD2-CD1 3.83Å; P202-L220 HydrophobicContact CG-CD1 4.41Å; P202-L220 HydrophobicContact CG-CD2 3.94Å; P202-L220 HydrophobicContact CG-CG 4.41Å; L208-L220 HydrophobicContact CD2-CB 4.38Å; L208-L220 HydrophobicContact CD2-CD2 3.99Å; L208-L220 HydrophobicContact CD2-CG 4Å; T213-L220 HydrophobicContact CG2-CD2 4.49Å; M217-L220 HydrophobicContact CB-CB 4Å; M217-L220 WeakPolarHBondContact O-CA 3.26Å; M217-L220 VanDerWaalsContact O-CB 3.29Å; M217-L220 WeakPolarHBondContact O-CB 3.42Å; M217-L220 PolarHBondContact O-N 3.17Å; M217-L220 HydrophobicContact SD-CD2 4.34Å; R218-L220 VanDerWaalsContact C-N 3.28Å; R218-L220 PolarHBondContact O-N 2.84Å; L220-M223 WeakPolarHBondContact O-CB 3.3Å; L220-M223 PolarHBondContact O-N 3.44Å; L220-M223 VanDerWaalsContact O-N 3.16Å; L220-I224 HydrophobicContact CD1-CG1 4.27Å; L220-I224 HydrophobicContact CG-CG1 4.49Å; L220-I224 WeakPolarHBondContact O-CG1 3.18Å; L220-I224 PolarHBondContact O-N 2.73Å
221	D	95.4	Very high	93.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-48.6	174.9	-166.4	30.8	0	0	0	111.3	R214 M217 R218 M223 I224 N225 V228	R214-D221 HydrophobicContact CB-CB 4.05Å; R214-D221 HydrophobicContact CG-CB 4.31Å; R214-D221 WeakPolarHBondContact CG-OD1 3.26Å; R214-D221 IonicContact CZ-OD1 3.01Å; R214-D221 IonicContact CZ-OD2 3.28Å; R214-D221 IonicContact NE-OD1 3.43Å; R214-D221 PolarHBondContact NE-OD1 2.91Å; R214-D221 IonicContact NE-OD2 2.68Å; R214-D221 PolarHBondContact NE-OD2 3.31Å; R214-D221 IonicContact NH2-OD1 3.67Å; R214-D221 IonicContact NH2-OD2 2.73Å; R214-D221 PolarHBondContact NH2-OD2 2.87Å; M217-D221 PolarHBondContact O-N 2.71Å; M217-D221 VanDerWaalsContact O-N 3.16Å; R218-D221 IonicContact CZ-OD2 2.93Å; R218-D221 IonicContact NH1-OD2 3.26Å; R218-D221 PolarHBondContact NH1-OD2 2.68Å; R218-D221 WeakPolarHBondContact O-CB 3.16Å; R218-D221 PolarHBondContact O-N 3.13Å; D221-M223 PolarHBondContact O-N 2.99Å; D221-I224 PolarHBondContact O-N 2.73Å; D221-N225 WeakPolarHBondContact O-CB 3.48Å; D221-N225 PolarHBondContact O-N 2.8Å; D221-N225 PolarHBondContact OD1-ND2 2.67Å; D221-V228 WeakPolarHBondContact OD2-CG1 3.25Å; D221-V228 WeakPolarHBondContact OD2-CG2 3.48Å
222	L	95.4	Very high	94.2	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-25.2	175.1	-74.5	169.8	0	0	0	113.9	R218 V228 R229 F232 L557	R218-L222 HydrophobicContact CG-CD1 4.01Å; R218-L222 HydrophobicContact CG-CG 4.24Å; R218-L222 WeakPolarHBondContact O-CB 3.47Å; R218-L222 WeakPolarHBondContact O-CG 3.44Å; R218-L222 PolarHBondContact O-N 3.48Å; L222-V228 HydrophobicContact CD2-CB 4.4Å; L222-V228 HydrophobicContact CD2-CG1 3.85Å; L222-V228 HydrophobicContact CG-CG1 4.39Å; L222-R229 HydrophobicContact CD2-CB 4.33Å; L222-F232 HydrophobicContact CD2-CD2 4.29Å; L222-L557 HydrophobicContact CD1-CD2 4.46Å
223	M	92.3	Very high	94.4	Very high	31 Å²	31	44 Å²	44	15%	0.153	21%	0.208	C	C	.	.	H	α-helix	trans	-79	-37.9	176.4	-81.1	172.4	47.1	0	0	112.4	R118 H120 L201 Y219 L220 D221	R118-M223 VanDerWaalsContact CZ-SD 3.59Å; R118-M223 PolarHBondContact NE-SD 3.37Å; H120-M223 PolarHBondContact NE2-O 2.79Å; H120-M223 VanDerWaalsContact NE2-O 3.1Å; L201-M223 HydrophobicContact CD1-CE 3.81Å; L201-M223 HydrophobicContact CD2-CE 3.53Å; L201-M223 HydrophobicContact CG-CE 4.35Å; Y219-M223 WeakPolarHBondContact O-CB 3.25Å; Y219-M223 WeakPolarHBondContact O-CG 3.43Å; Y219-M223 PolarHBondContact O-N 3.07Å; Y219-M223 VanDerWaalsContact O-N 3.16Å; L220-M223 WeakPolarHBondContact O-CB 3.3Å; L220-M223 PolarHBondContact O-N 3.44Å; L220-M223 VanDerWaalsContact O-N 3.16Å; D221-M223 PolarHBondContact O-N 2.99Å
224	I	91.6	Very high	94.6	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-97.2	-38.3	-171.1	-59.6	-61.9	0	0	0	112.1	L204 L208 L220 D221	L204-I224 HydrophobicContact CD2-CD1 3.9Å; L204-I224 HydrophobicContact CD2-CG2 4.44Å; L208-I224 HydrophobicContact CB-CB 4.32Å; L208-I224 HydrophobicContact CB-CG2 4.15Å; L220-I224 HydrophobicContact CD1-CG1 4.27Å; L220-I224 HydrophobicContact CG-CG1 4.49Å; L220-I224 WeakPolarHBondContact O-CG1 3.18Å; L220-I224 PolarHBondContact O-N 2.73Å; D221-I224 PolarHBondContact O-N 2.73Å
225	N	91.6	Very high	94.7	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	21%	0.208	C	C	.	.			trans	-108.2	96.5	-171.6	-65.2	-32.5	0	0	0	110.5	L208 D221 N227 V228	L208-N225 PolarHBondContact N-OD1 3.48Å; L208-N225 PolarHBondContact O-ND2 2.9Å; D221-N225 WeakPolarHBondContact O-CB 3.48Å; D221-N225 PolarHBondContact O-N 2.8Å; D221-N225 PolarHBondContact OD1-ND2 2.67Å; N225-N227 WeakPolarHBondContact CB-OD1 3.34Å; N225-N227 PolarHBondContact O-N 2.87Å; N225-N227 VanDerWaalsContact O-N 3.17Å; N225-V228 HydrophobicContact CB-CG2 3.72Å; N225-V228 WeakPolarHBondContact O-CB 3.33Å; N225-V228 PolarHBondContact O-N 3.28Å; N225-V228 VanDerWaalsContact O-N 3.09Å
226	D	85.2	Confident	94.9	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-29.4	-175.1	-67.1	-41.5	0	0	0	113.3	R135 V228 R229	R135-D226 IonicContact CZ-OD2 2.76Å; R135-D226 VanDerWaalsContact NH1-CG 3.29Å; R135-D226 IonicContact NH1-OD1 3.35Å; R135-D226 PolarHBondContact NH1-OD1 3.08Å; R135-D226 VanDerWaalsContact NH1-OD1 3.13Å; R135-D226 IonicContact NH1-OD2 2.87Å; R135-D226 PolarHBondContact NH1-OD2 3.39Å; D226-V228 VanDerWaalsContact C-N 3.28Å; D226-V228 PolarHBondContact O-N 2.85Å; D226-R229 PolarHBondContact O-N 3.13Å
227	N	90.7	Very high	95	Very high	82 Å²	82	46.7 Å²	46.7	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-30	178.1	62.9	-45.4	0	0	0	112.9	N225 R229 Q230 I231	N225-N227 WeakPolarHBondContact CB-OD1 3.34Å; N225-N227 PolarHBondContact O-N 2.87Å; N225-N227 VanDerWaalsContact O-N 3.17Å; N227-R229 VanDerWaalsContact C-N 3.33Å; N227-R229 PolarHBondContact O-N 2.96Å; N227-Q230 PolarHBondContact O-N 3.18Å; N227-I231 PolarHBondContact O-N 3.06Å
228	V	95.4	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-178.1	177.6	0	0	0	0	110.9	D221 L222 N225 D226 Q230 I231 F232	D221-V228 WeakPolarHBondContact OD2-CG1 3.25Å; D221-V228 WeakPolarHBondContact OD2-CG2 3.48Å; L222-V228 HydrophobicContact CD2-CB 4.4Å; L222-V228 HydrophobicContact CD2-CG1 3.85Å; L222-V228 HydrophobicContact CG-CG1 4.39Å; N225-V228 HydrophobicContact CB-CG2 3.72Å; N225-V228 WeakPolarHBondContact O-CB 3.33Å; N225-V228 PolarHBondContact O-N 3.28Å; N225-V228 VanDerWaalsContact O-N 3.09Å; D226-V228 VanDerWaalsContact C-N 3.28Å; D226-V228 PolarHBondContact O-N 2.85Å; V228-Q230 VanDerWaalsContact C-N 3.27Å; V228-Q230 PolarHBondContact O-N 2.92Å; V228-I231 WeakPolarHBondContact O-CB 3.48Å; V228-I231 PolarHBondContact O-N 2.85Å; V228-F232 HydrophobicContact CG1-CD2 4.17Å; V228-F232 HydrophobicContact CG1-CE2 3.65Å; V228-F232 WeakPolarHBondContact O-CD2 3.26Å
229	R	94.7	Very high	95.3	Very high	92 Å²	92	44.5 Å²	44.5	35%	0.347	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-43.2	174.4	177.9	-177.3	-61.9	-79.4	-6.1	111.6	L222 D226 N227 I231 F232 V233	L222-R229 HydrophobicContact CD2-CB 4.33Å; D226-R229 PolarHBondContact O-N 3.13Å; N227-R229 VanDerWaalsContact C-N 3.33Å; N227-R229 PolarHBondContact O-N 2.96Å; R229-I231 VanDerWaalsContact C-N 3.29Å; R229-I231 PolarHBondContact O-N 2.66Å; R229-F232 PolarHBondContact O-N 2.9Å; R229-V233 HydrophobicContact CG-CG2 4.23Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 2.96Å
230	Q	94.6	Very high	95.4	Very high	102 Å²	102	42.1 Å²	42.1	48%	0.477	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-33.6	-176.4	-62.8	-56.8	-37.4	0	0	112	N227 V228 F232 V233 R234	N227-Q230 PolarHBondContact O-N 3.18Å; V228-Q230 VanDerWaalsContact C-N 3.27Å; V228-Q230 PolarHBondContact O-N 2.92Å; Q230-F232 PolarHBondContact O-N 2.58Å; Q230-V233 PolarHBondContact O-N 2.86Å; Q230-R234 WeakPolarHBondContact O-CB 3.3Å; Q230-R234 WeakPolarHBondContact O-CG 3.2Å; Q230-R234 PolarHBondContact O-N 2.78Å
231	I	97.8	Very high	95.6	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-49.2	174.5	-60	168.6	0	0	0	110.5	N227 V228 R229 R234 R235 T547 R549 V555	N227-I231 PolarHBondContact O-N 3.06Å; V228-I231 WeakPolarHBondContact O-CB 3.48Å; V228-I231 PolarHBondContact O-N 2.85Å; R229-I231 VanDerWaalsContact C-N 3.29Å; R229-I231 PolarHBondContact O-N 2.66Å; I231-R234 WeakPolarHBondContact O-CB 3.49Å; I231-R234 PolarHBondContact O-N 3.45Å; I231-R235 PolarHBondContact O-N 3.25Å; I231-T547 HydrophobicContact CB-CG2 4.49Å; I231-T547 HydrophobicContact CG2-CG2 4.13Å; I231-R549 HydrophobicContact CD1-CG 4.45Å; I231-R549 VanDerWaalsContact CD1-NE 3.27Å; I231-V555 HydrophobicContact CG2-CB 4.41Å; I231-V555 HydrophobicContact CG2-CG1 3.89Å
232	F	97.8	Very high	95.7	Very high	27 Å²	27	43.4 Å²	43.4	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-74.6	-30.6	-178.1	-63.2	-68	0	0	0	113.4	L222 V228 R229 Q230 R235 A236 V555 L557	L222-F232 HydrophobicContact CD2-CD2 4.29Å; V228-F232 HydrophobicContact CG1-CD2 4.17Å; V228-F232 HydrophobicContact CG1-CE2 3.65Å; V228-F232 WeakPolarHBondContact O-CD2 3.26Å; R229-F232 PolarHBondContact O-N 2.9Å; Q230-F232 PolarHBondContact O-N 2.58Å; F232-R235 PolarHBondContact O-N 3.45Å; F232-A236 PolarHBondContact O-N 2.81Å; F232-V555 WeakPolarHBondContact CE1-O 3.43Å; F232-L557 HydrophobicContact CD1-CD2 3.71Å; F232-L557 HydrophobicContact CD1-CG 3.69Å; F232-L557 HydrophobicContact CD2-CD2 3.66Å; F232-L557 HydrophobicContact CE1-CB 4.24Å; F232-L557 HydrophobicContact CE1-CD2 3.73Å; F232-L557 HydrophobicContact CE1-CG 3.6Å; F232-L557 HydrophobicContact CE2-CD2 3.69Å; F232-L557 HydrophobicContact CE2-CG 4.46Å; F232-L557 HydrophobicContact CG-CD2 3.69Å; F232-L557 HydrophobicContact CG-CG 4.18Å; F232-L557 HydrophobicContact CZ-CB 4.46Å; F232-L557 HydrophobicContact CZ-CD2 3.73Å; F232-L557 HydrophobicContact CZ-CG 4.03Å
233	V	96.4	Very high	95.9	Very high	61 Å²	61	44.8 Å²	44.8	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-44.4	169	171.6	0	0	0	0	110.2	R229 Q230 A236 Q237	R229-V233 HydrophobicContact CG-CG2 4.23Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 2.96Å; Q230-V233 PolarHBondContact O-N 2.86Å; V233-A236 PolarHBondContact O-N 2.79Å; V233-Q237 WeakPolarHBondContact O-CG 3.49Å; V233-Q237 PolarHBondContact O-N 3.4Å
234	R	97.6	Very high	96.2	Very high	70 Å²	70	50.7 Å²	50.7	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-43.9	175.2	-70.9	-68.4	-177.6	-171.7	19	111.7	Q230 I231 A236 Q237 I238 L353 T547	Q230-R234 WeakPolarHBondContact O-CB 3.3Å; Q230-R234 WeakPolarHBondContact O-CG 3.2Å; Q230-R234 PolarHBondContact O-N 2.78Å; I231-R234 WeakPolarHBondContact O-CB 3.49Å; I231-R234 PolarHBondContact O-N 3.45Å; R234-A236 VanDerWaalsContact C-N 3.32Å; R234-A236 PolarHBondContact O-N 3.38Å; R234-Q237 WeakPolarHBondContact O-CB 3.37Å; R234-Q237 PolarHBondContact O-N 2.75Å; R234-Q237 VanDerWaalsContact O-N 3.12Å; R234-I238 WeakPolarHBondContact O-CG1 3.19Å; R234-I238 PolarHBondContact O-N 3.45Å; R234-L353 PolarHBondContact NH1-O 2.79Å; R234-L353 VanDerWaalsContact NH1-O 3.11Å; R234-L353 PolarHBondContact NH2-O 3.18Å; R234-T547 HydrophobicContact CB-CG2 3.77Å; R234-T547 HydrophobicContact CG-CG2 4.29Å
235	R	98.7	Very high	96.5	Very high	29 Å²	29	51.5 Å²	51.5	11%	0.109	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-48	172.7	-172.2	-179.1	176.3	93	-7.3	112	I231 F232 Q237 I238 I239 D540 T543	I231-R235 PolarHBondContact O-N 3.25Å; F232-R235 PolarHBondContact O-N 3.45Å; R235-Q237 VanDerWaalsContact C-N 3.34Å; R235-Q237 PolarHBondContact O-N 3.11Å; R235-I238 PolarHBondContact O-N 2.97Å; R235-I239 HydrophobicContact CG-CD1 4.31Å; R235-I239 PolarHBondContact O-N 3.16Å; R235-I239 VanDerWaalsContact O-N 3.13Å; R235-D540 IonicContact CZ-OD1 3.26Å; R235-D540 IonicContact NH1-OD1 2.98Å; R235-D540 PolarHBondContact NH1-OD1 2.72Å; R235-D540 IonicContact NH2-OD1 3.03Å; R235-D540 PolarHBondContact NH2-OD1 3.12Å; R235-D540 IonicContact NH2-OD2 3.9Å; R235-T543 HydrophobicContact CB-CG2 3.74Å; R235-T543 HydrophobicContact CG-CG2 4.05Å
236	A	98.6	Very high	96.9	Very high	47 Å²	47	50.3 Å²	50.3	39%	0.388	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-38.2	177.8	0	0	0	0	0	112.3	F232 V233 R234 N240	F232-A236 PolarHBondContact O-N 2.81Å; V233-A236 PolarHBondContact O-N 2.79Å; R234-A236 VanDerWaalsContact C-N 3.32Å; R234-A236 PolarHBondContact O-N 3.38Å; A236-N240 WeakPolarHBondContact O-CB 3.39Å; A236-N240 PolarHBondContact O-N 3.39Å; A236-N240 PolarHBondContact O-ND2 3.18Å
237	Q	98.5	Very high	97.5	Very high	54 Å²	54	50.8 Å²	50.8	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-40.9	174.2	-73.9	176.7	-21.7	0	0	112.4	V233 R234 R235 N240 Y241 Y352 L353	V233-Q237 WeakPolarHBondContact O-CG 3.49Å; V233-Q237 PolarHBondContact O-N 3.4Å; R234-Q237 WeakPolarHBondContact O-CB 3.37Å; R234-Q237 PolarHBondContact O-N 2.75Å; R234-Q237 VanDerWaalsContact O-N 3.12Å; R235-Q237 VanDerWaalsContact C-N 3.34Å; R235-Q237 PolarHBondContact O-N 3.11Å; Q237-N240 PolarHBondContact O-N 2.96Å; Q237-Y241 WeakPolarHBondContact O-CB 3.25Å; Q237-Y241 PolarHBondContact O-N 3.45Å; Q237-Y352 HydrophobicContact CB-CE1 4.24Å; Q237-L353 HydrophobicContact CB-CD2 3.79Å
238	I	98.8	Very high	97.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-53.6	176.1	-68.8	161.1	0	0	0	110.3	R234 R235 N240 Y241 L242 L349 L353 L542 T543 L546	R234-I238 WeakPolarHBondContact O-CG1 3.19Å; R234-I238 PolarHBondContact O-N 3.45Å; R235-I238 PolarHBondContact O-N 2.97Å; I238-N240 VanDerWaalsContact C-N 3.34Å; I238-N240 PolarHBondContact O-N 2.79Å; I238-Y241 PolarHBondContact O-N 3.25Å; I238-L242 HydrophobicContact CG2-CD1 3.99Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; I238-L242 PolarHBondContact O-N 3.45Å; I238-L349 HydrophobicContact CG1-CD1 4.23Å; I238-L349 HydrophobicContact CG1-CD2 4.4Å; I238-L349 HydrophobicContact CG2-CD2 4.07Å; I238-L353 HydrophobicContact CD1-CD1 4.5Å; I238-L353 HydrophobicContact CG1-CD1 3.87Å; I238-L542 HydrophobicContact CG2-CD2 3.78Å; I238-L542 HydrophobicContact CG2-CG 4.37Å; I238-T543 HydrophobicContact CD1-CG2 4.42Å; I238-L546 HydrophobicContact CD1-CB 4.14Å; I238-L546 HydrophobicContact CD1-CD1 3.78Å; I238-L546 HydrophobicContact CG1-CD1 3.98Å
239	I	98.8	Very high	98	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.138	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-45.8	-179.4	-66.9	169.2	0	0	0	110.9	R235 Y241 L242 R243 I306 I539	R235-I239 HydrophobicContact CG-CD1 4.31Å; R235-I239 PolarHBondContact O-N 3.16Å; R235-I239 VanDerWaalsContact O-N 3.13Å; I239-Y241 VanDerWaalsContact C-N 3.32Å; I239-Y241 PolarHBondContact O-N 3.34Å; I239-L242 PolarHBondContact O-N 2.8Å; I239-R243 VanDerWaalsContact CG2-NH1 3.34Å; I239-R243 PolarHBondContact O-N 2.85Å; I239-I306 HydrophobicContact CG2-CD1 4.15Å; I239-I306 HydrophobicContact CG2-CG2 4.44Å; I239-I539 HydrophobicContact CD1-CG2 4.29Å; I239-I539 HydrophobicContact CG1-CD1 4.36Å; I239-I539 HydrophobicContact CG1-CG2 4.01Å
240	N	98.6	Very high	98.1	Very high	87 Å²	87	51.1 Å²	51.1	47%	0.465	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-34.3	179.2	-73.3	-17.8	0	0	0	113.1	A236 Q237 I238 K244	A236-N240 WeakPolarHBondContact O-CB 3.39Å; A236-N240 PolarHBondContact O-N 3.39Å; A236-N240 PolarHBondContact O-ND2 3.18Å; Q237-N240 PolarHBondContact O-N 2.96Å; I238-N240 VanDerWaalsContact C-N 3.34Å; I238-N240 PolarHBondContact O-N 2.79Å; N240-K244 VanDerWaalsContact O-CG 3.29Å; N240-K244 WeakPolarHBondContact O-CG 3.32Å; N240-K244 PolarHBondContact O-N 3.07Å
241	Y	98.8	Very high	98.3	Very high	47 Å²	47	46.8 Å²	46.8	18%	0.184	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-47.9	174.7	178.1	-83.5	0	0	0	110.7	Q237 I238 I239 K244 Y245 F345 G348 L349 Y352	Q237-Y241 WeakPolarHBondContact O-CB 3.25Å; Q237-Y241 PolarHBondContact O-N 3.45Å; I238-Y241 PolarHBondContact O-N 3.25Å; I239-Y241 VanDerWaalsContact C-N 3.32Å; I239-Y241 PolarHBondContact O-N 3.34Å; Y241-K244 PolarHBondContact O-N 2.67Å; Y241-Y245 PolarHBondContact O-N 3.29Å; Y241-F345 WeakPolarHBondContact CE1-O 3.38Å; Y241-G348 VanDerWaalsContact OH-CA 3.27Å; Y241-G348 WeakPolarHBondContact OH-CA 3.45Å; Y241-L349 HydrophobicContact CD1-CB 3.75Å; Y241-L349 HydrophobicContact CD1-CD1 3.69Å; Y241-L349 HydrophobicContact CD1-CG 4.22Å; Y241-L349 HydrophobicContact CD2-CD1 4.32Å; Y241-L349 HydrophobicContact CE1-CB 3.62Å; Y241-L349 HydrophobicContact CE1-CD1 4.41Å; Y241-L349 HydrophobicContact CG-CB 4.38Å; Y241-L349 HydrophobicContact CG-CD1 3.65Å; Y241-L349 PolarHBondContact OH-N 2.68Å; Y241-Y352 AromaticContact CD2-CD1 3.64Å; Y241-Y352 HydrophobicContact CD2-CD1 3.64Å; Y241-Y352 HydrophobicContact CD2-CD2 4.5Å; Y241-Y352 HydrophobicContact CD2-CE1 4.29Å; Y241-Y352 AromaticContact CD2-CG 3.76Å; Y241-Y352 HydrophobicContact CD2-CG 3.76Å; Y241-Y352 HydrophobicContact CE2-CD1 4.42Å; Y241-Y352 HydrophobicContact CE2-CG 4.16Å; Y241-Y352 HydrophobicContact CG-CD1 4.26Å
242	L	98.6	Very high	98.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-51.2	179.8	-68	170.2	0	0	0	110.8	I238 I239 K244 Y245 F246 I306 L326 F345 L537 I539	I238-L242 HydrophobicContact CG2-CD1 3.99Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; I238-L242 PolarHBondContact O-N 3.45Å; I239-L242 PolarHBondContact O-N 2.8Å; L242-K244 PolarHBondContact O-N 3.4Å; L242-Y245 WeakPolarHBondContact O-CB 3.3Å; L242-Y245 PolarHBondContact O-N 3Å; L242-Y245 VanDerWaalsContact O-N 3.08Å; L242-F246 HydrophobicContact CB-CE2 4.41Å; L242-F246 HydrophobicContact CD2-CE2 4.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.21Å; L242-F246 PolarHBondContact O-N 3.46Å; L242-I306 HydrophobicContact CB-CD1 4.44Å; L242-L326 HydrophobicContact CD1-CD2 4.33Å; L242-L326 HydrophobicContact CD2-CD2 4.31Å; L242-F345 HydrophobicContact CD2-CD2 3.89Å; L242-F345 HydrophobicContact CD2-CE2 3.98Å; L242-L537 HydrophobicContact CD1-CD2 4Å; L242-L537 HydrophobicContact CD2-CD2 4.21Å; L242-I539 HydrophobicContact CD1-CD1 4.33Å; L242-I539 HydrophobicContact CD1-CG1 4.23Å
243	R	98.8	Very high	98.4	Very high	73 Å²	73	53.3 Å²	53.3	28%	0.275	29%	0.292	S	S	.	.	H	α-helix	trans	-51.3	-53.1	175.4	-72.8	-170.1	167.8	117.1	2.9	112.3	I239 Y245 F246 D247 E253 Y304 I306	I239-R243 VanDerWaalsContact CG2-NH1 3.34Å; I239-R243 PolarHBondContact O-N 2.85Å; R243-Y245 VanDerWaalsContact C-N 3.26Å; R243-Y245 PolarHBondContact O-N 2.99Å; R243-F246 PolarHBondContact O-N 2.74Å; R243-D247 VanDerWaalsContact O-CB 3.3Å; R243-D247 WeakPolarHBondContact O-CB 3.3Å; R243-D247 PolarHBondContact O-N 3.25Å; R243-E253 IonicContact CZ-OE1 3.21Å; R243-E253 VanDerWaalsContact CZ-OE1 3.26Å; R243-E253 IonicContact NE-OE1 2.72Å; R243-E253 PolarHBondContact NE-OE1 2.77Å; R243-E253 IonicContact NE-OE2 2.89Å; R243-E253 PolarHBondContact NE-OE2 2.94Å; R243-E253 IonicContact NH2-OE1 2.67Å; R243-E253 PolarHBondContact NH2-OE1 3.44Å; R243-Y304 HydrophobicContact CG-CE2 4.19Å; R243-I306 HydrophobicContact CG-CD1 3.75Å
244	K	98.6	Very high	98.6	Very high	155 Å²	155	51.4 Å²	51.4	67%	0.674	28%	0.28	S	S	*	.	H	α-helix	trans	-58.9	-35.9	179.4	-74.2	177.1	-179.9	-176.8	0	113.4	N240 Y241 L242 G248	N240-K244 VanDerWaalsContact O-CG 3.29Å; N240-K244 WeakPolarHBondContact O-CG 3.32Å; N240-K244 PolarHBondContact O-N 3.07Å; Y241-K244 PolarHBondContact O-N 2.67Å; L242-K244 PolarHBondContact O-N 3.4Å; K244-G248 PolarHBondContact O-N 3.37Å
245	Y	98.6	Very high	98.6	Very high	28 Å²	28	57.1 Å²	57.1	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-51.8	176.6	178	-93.9	0	0	0	110.9	Y241 L242 R243 G248 L249 M341 E344 F345	Y241-Y245 PolarHBondContact O-N 3.29Å; L242-Y245 WeakPolarHBondContact O-CB 3.3Å; L242-Y245 PolarHBondContact O-N 3Å; L242-Y245 VanDerWaalsContact O-N 3.08Å; R243-Y245 VanDerWaalsContact C-N 3.26Å; R243-Y245 PolarHBondContact O-N 2.99Å; Y245-G248 PolarHBondContact O-N 2.57Å; Y245-L249 HydrophobicContact CD1-CD1 4.2Å; Y245-L249 HydrophobicContact CE1-CD1 3.5Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.5Å; Y245-L249 HydrophobicContact CE1-CG 4.49Å; Y245-L249 HydrophobicContact CE2-CD1 4.39Å; Y245-L249 PolarHBondContact O-N 3.04Å; Y245-M341 HydrophobicContact CE1-CE 4.44Å; Y245-E344 HydrophobicContact CE2-CG 4.16Å; Y245-E344 VanDerWaalsContact OH-CD 3.29Å; Y245-E344 PolarHBondContact OH-OE2 3.43Å; Y245-F345 HydrophobicContact CD1-CB 3.73Å; Y245-F345 HydrophobicContact CD1-CD1 4.34Å; Y245-F345 HydrophobicContact CD1-CG 4.23Å; Y245-F345 HydrophobicContact CD2-CB 3.79Å; Y245-F345 HydrophobicContact CE1-CB 3.6Å; Y245-F345 AromaticContact CE1-CD1 3.8Å; Y245-F345 HydrophobicContact CE1-CD1 3.8Å; Y245-F345 HydrophobicContact CE1-CG 4.04Å; Y245-F345 HydrophobicContact CE2-CB 3.68Å; Y245-F345 HydrophobicContact CG-CB 3.82Å
246	F	98.6	Very high	98.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-41	-178.9	-69.3	-70.8	0	0	0	112.8	L242 R243 G248 L249 G250 F251 Y304 L326 F328 M341 F345	L242-F246 HydrophobicContact CB-CE2 4.41Å; L242-F246 HydrophobicContact CD2-CE2 4.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.21Å; L242-F246 PolarHBondContact O-N 3.46Å; R243-F246 PolarHBondContact O-N 2.74Å; F246-G248 VanDerWaalsContact C-N 3.25Å; F246-G248 PolarHBondContact O-N 2.82Å; F246-L249 CarbonylContact O-C 3.59Å; F246-L249 PolarHBondContact O-N 2.82Å; F246-G250 PolarHBondContact O-N 2.9Å; F246-F251 HydrophobicContact CB-CB 4.09Å; F246-F251 HydrophobicContact CB-CD2 4.37Å; F246-F251 HydrophobicContact CB-CG 4.27Å; F246-F251 HydrophobicContact CD1-CD1 4.43Å; F246-F251 HydrophobicContact CD1-CD2 4Å; F246-F251 HydrophobicContact CD1-CE2 4.09Å; F246-F251 HydrophobicContact CD1-CG 4.19Å; F246-F251 HydrophobicContact CD1-CZ 4.36Å; F246-F251 WeakPolarHBondContact O-CB 3.4Å; F246-F251 PolarHBondContact O-N 2.94Å; F246-F251 VanDerWaalsContact O-N 3.09Å; F246-Y304 HydrophobicContact CB-CD1 3.96Å; F246-Y304 HydrophobicContact CB-CE1 3.91Å; F246-Y304 HydrophobicContact CB-CG 4.27Å; F246-L326 HydrophobicContact CD2-CD1 4.22Å; F246-L326 HydrophobicContact CD2-CD2 4.11Å; F246-L326 HydrophobicContact CE2-CD1 4.18Å; F246-L326 HydrophobicContact CE2-CD2 3.27Å; F246-L326 HydrophobicContact CE2-CG 4.31Å; F246-L326 HydrophobicContact CZ-CD2 3.73Å; F246-F328 HydrophobicContact CD1-CD1 4.26Å; F246-F328 HydrophobicContact CD1-CG 4.45Å; F246-F328 AromaticContact CE1-CD1 3.38Å; F246-F328 HydrophobicContact CE1-CD1 3.38Å; F246-F328 HydrophobicContact CE1-CD2 4.45Å; F246-F328 AromaticContact CE1-CE1 3.44Å; F246-F328 HydrophobicContact CE1-CE1 3.44Å; F246-F328 VanDerWaalsContact CE1-CE1 3.44Å; F246-F328 HydrophobicContact CE1-CE2 4.49Å; F246-F328 AromaticContact CE1-CG 3.92Å; F246-F328 HydrophobicContact CE1-CG 3.92Å; F246-F328 HydrophobicContact CE1-CZ 4.03Å; F246-F328 AromaticContact CZ-CD1 3.58Å; F246-F328 HydrophobicContact CZ-CD1 3.58Å; F246-F328 AromaticContact CZ-CE1 3.56Å; F246-F328 HydrophobicContact CZ-CE1 3.56Å; F246-F328 HydrophobicContact CZ-CZ 4.49Å; F246-M341 HydrophobicContact CE1-CE 4.19Å; F246-F345 HydrophobicContact CZ-CD1 4.43Å; F246-F345 HydrophobicContact CZ-CE1 4.29Å
247	D	98.5	Very high	98.6	Very high	81 Å²	81	57.1 Å²	57.1	43%	0.433	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-41.4	172.4	-62.8	-13.9	0	0	0	110.6	R243 L249 G250 Y304	R243-D247 VanDerWaalsContact O-CB 3.3Å; R243-D247 WeakPolarHBondContact O-CB 3.3Å; R243-D247 PolarHBondContact O-N 3.25Å; D247-L249 PolarHBondContact O-N 3.25Å; D247-G250 PolarHBondContact O-N 3.46Å; D247-Y304 WeakPolarHBondContact OD1-CE1 3.41Å; D247-Y304 PolarHBondContact OD1-OH 3.34Å
248	G	98.3	Very high	98.6	Very high	67 Å²	67	58.1 Å²	58.1	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-65	-21.8	177	0	0	0	0	0	114.3	K244 Y245 F246	K244-G248 PolarHBondContact O-N 3.37Å; Y245-G248 PolarHBondContact O-N 2.57Å; F246-G248 VanDerWaalsContact C-N 3.25Å; F246-G248 PolarHBondContact O-N 2.82Å
249	L	97.9	Very high	98.5	Very high	56 Å²	56	63 Å²	63	29%	0.293	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.8	174.4	-67.4	-178.4	0	0	0	113.3	Y245 F246 D247 F251 R302 M341	Y245-L249 HydrophobicContact CD1-CD1 4.2Å; Y245-L249 HydrophobicContact CE1-CD1 3.5Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.5Å; Y245-L249 HydrophobicContact CE1-CG 4.49Å; Y245-L249 HydrophobicContact CE2-CD1 4.39Å; Y245-L249 PolarHBondContact O-N 3.04Å; F246-L249 CarbonylContact O-C 3.59Å; F246-L249 PolarHBondContact O-N 2.82Å; D247-L249 PolarHBondContact O-N 3.25Å; L249-F251 HydrophobicContact CB-CD2 3.84Å; L249-F251 HydrophobicContact CB-CE2 4Å; L249-F251 HydrophobicContact CD1-CE2 4.37Å; L249-R302 PolarHBondContact O-NH1 3.19Å; L249-M341 HydrophobicContact CD1-CE 3.83Å
250	G	98.3	Very high	98.4	Very high	57 Å²	57	62 Å²	62	59%	0.588	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	23.6	178.9	0	0	0	0	0	114.2	F246 D247	F246-G250 PolarHBondContact O-N 2.9Å; D247-G250 PolarHBondContact O-N 3.46Å
251	F	98.8	Very high	98.2	Very high	11 Å²	11	62.4 Å²	62.4	5%	0.048	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72.8	147.4	165.2	-73.3	-108.2	0	0	0	110.3	F246 L249 R302 Y304 F328 M330 M341	F246-F251 HydrophobicContact CB-CB 4.09Å; F246-F251 HydrophobicContact CB-CD2 4.37Å; F246-F251 HydrophobicContact CB-CG 4.27Å; F246-F251 HydrophobicContact CD1-CD1 4.43Å; F246-F251 HydrophobicContact CD1-CD2 4Å; F246-F251 HydrophobicContact CD1-CE2 4.09Å; F246-F251 HydrophobicContact CD1-CG 4.19Å; F246-F251 HydrophobicContact CD1-CZ 4.36Å; F246-F251 WeakPolarHBondContact O-CB 3.4Å; F246-F251 PolarHBondContact O-N 2.94Å; F246-F251 VanDerWaalsContact O-N 3.09Å; L249-F251 HydrophobicContact CB-CD2 3.84Å; L249-F251 HydrophobicContact CB-CE2 4Å; L249-F251 HydrophobicContact CD1-CE2 4.37Å; F251-R302 WeakPolarHBondContact CA-O 3.46Å; F251-R302 HydrophobicContact CB-CB 4.24Å; F251-R302 HydrophobicContact CD1-CB 3.69Å; F251-R302 HydrophobicContact CD2-CB 4.15Å; F251-R302 HydrophobicContact CE1-CB 3.97Å; F251-R302 HydrophobicContact CE1-CG 4.37Å; F251-R302 HydrophobicContact CE2-CB 4.43Å; F251-R302 HydrophobicContact CE2-CG 4.43Å; F251-R302 HydrophobicContact CG-CB 3.77Å; F251-R302 HydrophobicContact CZ-CB 4.34Å; F251-R302 HydrophobicContact CZ-CG 4.33Å; F251-Y304 HydrophobicContact CB-CD1 3.67Å; F251-Y304 HydrophobicContact CB-CE1 4.22Å; F251-F328 HydrophobicContact CD1-CB 4.15Å; F251-F328 HydrophobicContact CE1-CB 3.9Å; F251-F328 AromaticContact CE1-CD2 3.51Å; F251-F328 HydrophobicContact CE1-CD2 3.51Å; F251-F328 HydrophobicContact CE1-CE2 4.32Å; F251-F328 AromaticContact CE1-CG 3.98Å; F251-F328 HydrophobicContact CE1-CG 3.98Å; F251-F328 AromaticContact CZ-CD2 3.81Å; F251-F328 HydrophobicContact CZ-CD2 3.81Å; F251-F328 HydrophobicContact CZ-CE2 4.17Å; F251-F328 HydrophobicContact CZ-CG 4.49Å; F251-M330 HydrophobicContact CE1-CB 4.17Å; F251-M330 HydrophobicContact CE2-SD 4.4Å; F251-M330 HydrophobicContact CZ-CB 3.96Å; F251-M330 HydrophobicContact CZ-CG 4.16Å; F251-M330 HydrophobicContact CZ-SD 3.89Å; F251-M341 HydrophobicContact CE2-CE 4.09Å; F251-M341 HydrophobicContact CZ-CE 4.08Å
252	L	98.8	Very high	97.8	Very high	90 Å²	90	62.7 Å²	62.7	47%	0.471	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.3	170.7	-176.6	64.7	0	0	0	109.8	V254 L300 R302 V303 Y304	L252-V254 HydrophobicContact CB-CG1 4.47Å; L252-V254 HydrophobicContact CD2-CG1 4Å; L252-V254 HydrophobicContact CG-CG1 3.93Å; L252-V254 PolarHBondContact O-N 3.22Å; L252-L300 HydrophobicContact CD2-CD1 4.13Å; L252-L300 HydrophobicContact CD2-CD2 4.33Å; L252-R302 PolarHBondContact N-O 3.03Å; L252-V303 WeakPolarHBondContact O-CA 3.38Å; L252-Y304 PolarHBondContact O-N 3.03Å
253	E	98.8	Very high	97.5	Very high	79 Å²	79	63.4 Å²	63.4	37%	0.369	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.5	167.6	-164.4	172.2	-165.9	0	0	108.7	R243 Y304	R243-E253 IonicContact CZ-OE1 3.21Å; R243-E253 VanDerWaalsContact CZ-OE1 3.26Å; R243-E253 IonicContact NE-OE1 2.72Å; R243-E253 PolarHBondContact NE-OE1 2.77Å; R243-E253 IonicContact NE-OE2 2.89Å; R243-E253 PolarHBondContact NE-OE2 2.94Å; R243-E253 IonicContact NH2-OE1 2.67Å; R243-E253 PolarHBondContact NH2-OE1 3.44Å; E253-Y304 CarbonylContact C-O 3.54Å; E253-Y304 WeakPolarHBondContact CA-O 3.3Å; E253-Y304 HydrophobicContact CB-CD1 4.21Å; E253-Y304 HydrophobicContact CB-CE1 3.57Å; E253-Y304 HydrophobicContact CB-CE2 4.11Å; E253-Y304 HydrophobicContact CG-CD2 4.37Å; E253-Y304 HydrophobicContact CG-CE1 4.18Å; E253-Y304 HydrophobicContact CG-CE2 3.77Å
254	V	98.7	Very high	97.1	Very high	21 Å²	21	60.2 Å²	60.2	13%	0.127	33%	0.334	C	S	.	.			trans	-127.3	163	-178.7	-60.9	0	0	0	0	111	L252 L292 L295 V303 Y304 E305	L252-V254 HydrophobicContact CB-CG1 4.47Å; L252-V254 HydrophobicContact CD2-CG1 4Å; L252-V254 HydrophobicContact CG-CG1 3.93Å; L252-V254 PolarHBondContact O-N 3.22Å; V254-L292 HydrophobicContact CG2-CD2 3.48Å; V254-L292 VanDerWaalsContact CG2-CD2 3.48Å; V254-L295 HydrophobicContact CB-CD1 4.16Å; V254-L295 HydrophobicContact CG1-CD1 4.18Å; V254-L295 HydrophobicContact CG2-CD1 3.81Å; V254-V303 HydrophobicContact CG1-CB 4.38Å; V254-V303 HydrophobicContact CG1-CG1 4.12Å; V254-V303 HydrophobicContact CG2-CB 4.15Å; V254-Y304 PolarHBondContact N-O 3.24Å; V254-E305 WeakPolarHBondContact O-CG 3.42Å
255	E	98.8	Very high	96.7	Very high	190 Å²	190	53 Å²	53	89%	0.888	30%	0.304	S	S	*	.			trans	-123.4	123.8	172.2	-66.4	-179.6	97.3	0	0	109
256	T	98.5	Very high	96.3	Very high	15 Å²	15	52.5 Å²	52.5	9%	0.092	31%	0.305	C	S	.	.			trans	-108	161.4	177.8	65.5	0	0	0	0	111.3	M258 R285 P288 Y291 L292 L295 E305	T256-M258 PolarHBondContact O-N 2.74Å; T256-R285 PolarHBondContact O-NH1 2.98Å; T256-R285 VanDerWaalsContact O-NH1 3.08Å; T256-R285 PolarHBondContact OG1-NH1 2.95Å; T256-R285 VanDerWaalsContact OG1-NH1 3.11Å; T256-P288 VanDerWaalsContact OG1-CB 3.26Å; T256-P288 WeakPolarHBondContact OG1-CB 3.2Å; T256-Y291 HydrophobicContact CG2-CG 4.44Å; T256-L292 HydrophobicContact CG2-CD2 3.84Å; T256-L292 HydrophobicContact CG2-CG 4.39Å; T256-L295 HydrophobicContact CG2-CD1 4.43Å; T256-E305 WeakPolarHBondContact CB-OE2 3.08Å; T256-E305 WeakPolarHBondContact CG2-OE2 3.43Å; T256-E305 PolarHBondContact N-OE2 3.33Å; T256-E305 VanDerWaalsContact N-OE2 3.09Å; T256-E305 PolarHBondContact OG1-OE2 2.77Å
257	P	98.3	Very high	95.9	Very high	62 Å²	62	55.5 Å²	55.5	40%	0.403	32%	0.324	S	S	.	.			trans	-53.7	133.9	-179.3	-28.3	37	0	0	0	113.4	N260 R285 Y291	P257-N260 PolarHBondContact O-OD1 3.31Å; P257-R285 WeakPolarHBondContact O-CD 3.37Å; P257-Y291 HydrophobicContact CB-CE2 4.24Å; P257-Y291 HydrophobicContact CG-CD1 4.32Å; P257-Y291 HydrophobicContact CG-CE1 3.85Å; P257-Y291 HydrophobicContact CG-CE2 4.28Å
258	M	98.5	Very high	95.5	Very high	75 Å²	75	52 Å²	52	37%	0.369	31%	0.306	S	S	.	.	S	Bend	trans	-91.6	-13.3	170.3	-71.3	-176.3	-179	0	0	113.2	T256 M284 R285 R308 F310	T256-M258 PolarHBondContact O-N 2.74Å; M258-M284 CarbonylContact O-C 3.57Å; M258-M284 WeakPolarHBondContact O-CA 3.5Å; M258-R285 HydrophobicContact CB-CG 4.48Å; M258-R285 VanDerWaalsContact CE-NH2 3.34Å; M258-R285 HydrophobicContact CG-CG 4.48Å; M258-R285 PolarHBondContact O-N 2.96Å; M258-R308 HydrophobicContact CE-CB 4.35Å; M258-F310 HydrophobicContact CB-CE2 4.49Å; M258-F310 HydrophobicContact SD-CE2 4.26Å; M258-F310 HydrophobicContact SD-CZ 4.48Å
259	M	97.9	Very high	95.3	Very high	103 Å²	103	52.7 Å²	52.7	51%	0.507	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.7	176.8	-64.5	-176	-65.4	0	0	108.6	T273 L282 Y283 M284	M259-T273 HydrophobicContact SD-CG2 4.48Å; M259-L282 HydrophobicContact CB-CB 4.35Å; M259-L282 HydrophobicContact CB-CD1 4.12Å; M259-L282 HydrophobicContact SD-CD1 4.41Å; M259-Y283 CarbonylContact C-O 3.5Å; M259-Y283 WeakPolarHBondContact CA-O 3.42Å; M259-M284 HydrophobicContact CG-CE 4.3Å; M259-M284 HydrophobicContact CG-SD 3.92Å
260	N	95.7	Very high	95.1	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.032	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.9	-171.3	-54.4	-14.1	0	0	0	110	P257 I262 Y283	P257-N260 PolarHBondContact O-OD1 3.31Å; N260-I262 WeakPolarHBondContact CB-O 3.33Å; N260-I262 PolarHBondContact O-N 3.14Å; N260-Y283 PolarHBondContact N-O 3.47Å; N260-Y283 PolarHBondContact O-N 3.13Å
261	M	93.9	Very high	95.1	Very high	94 Å²	94	51.3 Å²	51.3	46%	0.463	27%	0.268	S	S	.	.	S	Bend	trans	-67.5	-29.6	170.9	-64.3	-176.4	-71.9	0	0	111.8	R280 L282 Y283	M261-R280 VanDerWaalsContact CG-NH2 3.33Å; M261-R280 PolarHBondContact SD-NH1 3.38Å; M261-R280 PolarHBondContact SD-NH2 3.27Å; M261-L282 HydrophobicContact CG-CD2 4.26Å; M261-Y283 WeakPolarHBondContact O-CD2 3.45Å; M261-Y283 WeakPolarHBondContact O-CE2 3.17Å
262	I	91.8	Very high	95	Very high	54 Å²	54	54.8 Å²	54.8	28%	0.277	29%	0.29	S	S	.	.	S	Bend	trans	-134.9	129	178.2	-58.2	177	0	0	0	106.9	N260 L516	N260-I262 WeakPolarHBondContact CB-O 3.33Å; N260-I262 PolarHBondContact O-N 3.14Å; I262-L516 HydrophobicContact CG2-CB 3.75Å; I262-L516 HydrophobicContact CG2-CD1 4.13Å
263	A	90.8	Very high	95	Very high	14 Å²	14	53.5 Å²	53.5	12%	0.116	29%	0.285	C	S	.	.			trans	-79.4	131.7	170.8	0	0	0	0	0	109.9	P270 Y283	A263-P270 HydrophobicContact CB-CB 3.78Å; A263-P270 HydrophobicContact CB-CG 4.03Å; A263-Y283 HydrophobicContact CB-CG 4.41Å
264	G	91.3	Very high	94.9	Very high	6 Å²	6	53.5 Å²	53.5	6%	0.062	29%	0.285	C	S	.	.			trans	-156.8	177.3	-179.5	0	0	0	0	0	111.9	A266 V286	G264-A266 VanDerWaalsContact C-N 3.33Å; G264-V286 WeakPolarHBondContact O-CG2 3.39Å
265	G	89.8	Confident	94.9	Very high	5 Å²	5	55.7 Å²	55.7	5%	0.052	29%	0.294	C	S	.	.	S	Bend	trans	88.2	-10.1	-178.5	0	0	0	0	0	114.7	Q515	G265-Q515 VanDerWaalsContact N-OE1 3.08Å
266	A	91.1	Very high	94.8	Very high	16 Å²	16	53.4 Å²	53.4	13%	0.132	29%	0.288	C	S	.	.	S	Bend	trans	-153.8	156.7	171.8	0	0	0	0	0	110.6	G264 A268 V286 A287	G264-A266 VanDerWaalsContact C-N 3.33Å; A266-A268 PolarHBondContact O-N 3.04Å; A266-V286 HydrophobicContact CB-CB 4.43Å; A266-V286 HydrophobicContact CB-CG2 4.08Å; A266-A287 HydrophobicContact CB-CB 4.07Å
267	T	88.5	Confident	94.7	Very high	64 Å²	64	61.2 Å²	61.2	39%	0.393	32%	0.323	S	S	.	.	S	Bend	trans	-84.1	97.9	169.7	-25.2	0	0	0	0	107.9	E513	T267-E513 CarbonylContact C-O 3.5Å; T267-E513 WeakPolarHBondContact CA-O 3.38Å; T267-E513 HydrophobicContact CG2-CB 3.96Å; T267-E513 VanDerWaalsContact CG2-O 3.26Å; T267-E513 WeakPolarHBondContact CG2-O 3.41Å
268	A	91.6	Very high	94.6	Very high	6 Å²	6	63.5 Å²	63.5	5%	0.05	33%	0.332	C	S	.	.	S	Bend	trans	-161.8	150.7	-176.1	0	0	0	0	0	111.3	A266 P270 V286 R311 E313 E513	A266-A268 PolarHBondContact O-N 3.04Å; A268-P270 WeakPolarHBondContact O-CD 3.31Å; A268-V286 HydrophobicContact CB-CB 4.02Å; A268-V286 HydrophobicContact CB-CG1 3.89Å; A268-R311 HydrophobicContact CB-CG 3.76Å; A268-E313 VanDerWaalsContact CB-OE1 3.3Å; A268-E313 WeakPolarHBondContact CB-OE1 3.34Å; A268-E513 PolarHBondContact N-O 3.37Å; A268-E513 VanDerWaalsContact N-O 3.16Å
269	K	92.7	Very high	94.5	Very high	82 Å²	82	66.2 Å²	66.2	36%	0.357	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-78	119.7	174.5	-171.3	168.5	-174.9	147.5	0	110.2	N312 D512	K269-N312 HydrophobicContact CG-CB 4.29Å; K269-N312 WeakPolarHBondContact O-CB 3.25Å; K269-N312 PolarHBondContact O-N 3.13Å; K269-D512 IonicContact NZ-OD2 3.25Å; K269-D512 PolarHBondContact NZ-OD2 2.8Å
270	P	95.6	Very high	94.5	Very high	19 Å²	19	66.4 Å²	66.4	12%	0.123	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-80.7	159.8	-177.6	32.5	-35.8	0	0	0	112.7	A263 A268 Y283 V286 N312	A263-P270 HydrophobicContact CB-CB 3.78Å; A263-P270 HydrophobicContact CB-CG 4.03Å; A268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-Y283 HydrophobicContact CB-CD1 3.99Å; P270-Y283 HydrophobicContact CG-CD1 3.66Å; P270-Y283 HydrophobicContact CG-CE1 4.27Å; P270-V286 HydrophobicContact CB-CG1 4.15Å; P270-N312 WeakPolarHBondContact O-CB 3.36Å
271	F	97.1	Very high	94.6	Very high	66 Å²	66	70.1 Å²	70.1	29%	0.289	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-80.3	142.7	159.3	-73.7	-86.3	0	0	0	109.9	Y283 M284 F310 R311 N312 P321	F271-Y283 CarbonylContact O-C 3.47Å; F271-Y283 VanDerWaalsContact O-CA 3.3Å; F271-Y283 WeakPolarHBondContact O-CA 3.34Å; F271-M284 HydrophobicContact CB-CB 4Å; F271-M284 HydrophobicContact CB-CG 3.74Å; F271-M284 PolarHBondContact O-N 2.63Å; F271-F310 HydrophobicContact CD2-CB 3.87Å; F271-F310 HydrophobicContact CE2-CB 4.37Å; F271-R311 VanDerWaalsContact CE2-C 3.47Å; F271-R311 WeakPolarHBondContact CE2-O 3.48Å; F271-N312 HydrophobicContact CD1-CB 4.12Å; F271-N312 HydrophobicContact CD2-CB 3.99Å; F271-N312 HydrophobicContact CE1-CB 4.07Å; F271-N312 HydrophobicContact CE2-CB 3.97Å; F271-N312 HydrophobicContact CG-CB 4.08Å; F271-N312 HydrophobicContact CZ-CB 4Å; F271-P321 HydrophobicContact CE2-CB 4.01Å; F271-P321 HydrophobicContact CZ-CB 3.8Å
272	V	97.2	Very high	94.7	Very high	84 Å²	84	66.5 Å²	66.5	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.1	176.9	-167.5	0	0	0	0	109	D281 Y283	V272-D281 HydrophobicContact CG1-CB 4.02Å; V272-Y283 HydrophobicContact CG1-CE1 4.29Å; V272-Y283 HydrophobicContact CG2-CD1 3.84Å; V272-Y283 HydrophobicContact CG2-CE1 3.66Å
273	T	98	Very high	95	Very high	62 Å²	62	67.1 Å²	67.1	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	168.1	172.6	-168.3	0	0	0	0	109.6	M259 D281 L282 M284	M259-T273 HydrophobicContact SD-CG2 4.48Å; T273-D281 CarbonylContact O-C 3.59Å; T273-D281 WeakPolarHBondContact O-CA 3.4Å; T273-L282 HydrophobicContact CG2-CB 4.03Å; T273-L282 PolarHBondContact N-O 2.78Å; T273-L282 PolarHBondContact O-N 3.29Å; T273-L282 VanDerWaalsContact O-O 3.1Å; T273-M284 HydrophobicContact CG2-SD 4.31Å
274	H	98	Very high	95.4	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.37	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.2	-176.6	-172.3	79.9	0	0	0	111.3	N276 D279 R280 D281	H274-N276 PolarHBondContact CD2-OD1 3.37Å; H274-D279 IonicContact CE1-OD1 3.34Å; H274-D279 IonicContact NE2-OD1 2.68Å; H274-R280 PolarHBondContact CE1-N 2.72Å; H274-D281 IonicContact CE1-OD1 3.82Å; H274-D281 IonicContact CG-OD1 3.15Å; H274-D281 IonicContact ND1-OD1 3.53Å; H274-D281 PolarHBondContact ND1-OD1 2.77Å
275	H	97.2	Very high	95.7	Very high	66 Å²	66	68 Å²	68	31%	0.306	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	97.3	177.1	-170	-59.3	0	0	0	110.7	E277 L278 D279 R280 L282	H275-E277 PolarHBondContact ND1-N 2.98Å; H275-E277 PolarHBondContact O-N 2.88Å; H275-L278 HydrophobicContact CB-CB 4.35Å; H275-L278 PolarHBondContact ND1-N 2.81Å; H275-L278 CarbonylContact O-C 3.59Å; H275-L278 PolarHBondContact O-N 3.29Å; H275-D279 PolarHBondContact O-N 2.87Å; H275-R280 PolarHBondContact N-O 3.02Å; H275-L282 HydrophobicContact CB-CD1 3.89Å; H275-L282 HydrophobicContact CB-CG 4.35Å
276	N	97.2	Very high	96	Very high	143 Å²	143	67.8 Å²	67.8	77%	0.765	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-50.6	-44.5	-172.3	-62.7	-23.4	0	0	0	115.1	H274 D279	H274-N276 PolarHBondContact CD2-OD1 3.37Å; N276-D279 PolarHBondContact O-N 3.07Å
277	E	97	Very high	96.4	Very high	179 Å²	179	67.3 Å²	67.3	84%	0.836	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-74.2	-27.6	-177.1	-177.7	178.1	-169.6	0	0	113.4	H275	H275-E277 PolarHBondContact ND1-N 2.98Å; H275-E277 PolarHBondContact O-N 2.88Å
278	L	96.7	Very high	96.8	Very high	110 Å²	110	64.3 Å²	64.3	58%	0.576	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-95.7	-1.9	179.5	-65.5	179.3	0	0	0	111.8	H275 R280	H275-L278 HydrophobicContact CB-CB 4.35Å; H275-L278 PolarHBondContact ND1-N 2.81Å; H275-L278 CarbonylContact O-C 3.59Å; H275-L278 PolarHBondContact O-N 3.29Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 HydrophobicContact CB-CG 3.88Å; L278-R280 PolarHBondContact O-N 2.72Å
279	D	96.3	Very high	97.1	Very high	132 Å²	132	64.3 Å²	64.3	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.5	52.6	-177.5	-169.1	28.4	0	0	0	112.6	H274 H275 N276	H274-D279 IonicContact CE1-OD1 3.34Å; H274-D279 IonicContact NE2-OD1 2.68Å; H275-D279 PolarHBondContact O-N 2.87Å; N276-D279 PolarHBondContact O-N 3.07Å
280	R	96.6	Very high	97.4	Very high	107 Å²	107	60.8 Å²	60.8	40%	0.404	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.5	-178	69.2	-179.2	-62.3	170	5	113	M261 H274 H275 L278	M261-R280 VanDerWaalsContact CG-NH2 3.33Å; M261-R280 PolarHBondContact SD-NH1 3.38Å; M261-R280 PolarHBondContact SD-NH2 3.27Å; H274-R280 PolarHBondContact CE1-N 2.72Å; H275-R280 PolarHBondContact N-O 3.02Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 HydrophobicContact CB-CG 3.88Å; L278-R280 PolarHBondContact O-N 2.72Å
281	D	97.4	Very high	97.5	Very high	84 Å²	84	63.1 Å²	63.1	45%	0.449	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.7	172.5	-63.7	-17.8	0	0	0	111.2	V272 T273 H274	V272-D281 HydrophobicContact CG1-CB 4.02Å; T273-D281 CarbonylContact O-C 3.59Å; T273-D281 WeakPolarHBondContact O-CA 3.4Å; H274-D281 IonicContact CE1-OD1 3.82Å; H274-D281 IonicContact CG-OD1 3.15Å; H274-D281 IonicContact ND1-OD1 3.53Å; H274-D281 PolarHBondContact ND1-OD1 2.77Å
282	L	97.4	Very high	97.6	Very high	18 Å²	18	60 Å²	60	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.3	172.2	-62	176.4	0	0	0	108.6	M259 M261 T273 H275	M259-L282 HydrophobicContact CB-CB 4.35Å; M259-L282 HydrophobicContact CB-CD1 4.12Å; M259-L282 HydrophobicContact SD-CD1 4.41Å; M261-L282 HydrophobicContact CG-CD2 4.26Å; T273-L282 HydrophobicContact CG2-CB 4.03Å; T273-L282 PolarHBondContact N-O 2.78Å; T273-L282 PolarHBondContact O-N 3.29Å; T273-L282 VanDerWaalsContact O-O 3.1Å; H275-L282 HydrophobicContact CB-CD1 3.89Å; H275-L282 HydrophobicContact CB-CG 4.35Å
283	Y	97.5	Very high	97.7	Very high	66 Å²	66	56 Å²	56	26%	0.259	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.6	-179.4	-59.8	-92.9	0	0	0	109.9	M259 N260 M261 A263 P270 F271 V272	M259-Y283 CarbonylContact C-O 3.5Å; M259-Y283 WeakPolarHBondContact CA-O 3.42Å; N260-Y283 PolarHBondContact N-O 3.47Å; N260-Y283 PolarHBondContact O-N 3.13Å; M261-Y283 WeakPolarHBondContact O-CD2 3.45Å; M261-Y283 WeakPolarHBondContact O-CE2 3.17Å; A263-Y283 HydrophobicContact CB-CG 4.41Å; P270-Y283 HydrophobicContact CB-CD1 3.99Å; P270-Y283 HydrophobicContact CG-CD1 3.66Å; P270-Y283 HydrophobicContact CG-CE1 4.27Å; F271-Y283 CarbonylContact O-C 3.47Å; F271-Y283 VanDerWaalsContact O-CA 3.3Å; F271-Y283 WeakPolarHBondContact O-CA 3.34Å; V272-Y283 HydrophobicContact CG1-CE1 4.29Å; V272-Y283 HydrophobicContact CG2-CD1 3.84Å; V272-Y283 HydrophobicContact CG2-CE1 3.66Å
284	M	98.3	Very high	97.7	Very high	39 Å²	39	55.5 Å²	55.5	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.9	170.7	-54.9	-56.5	-59.4	0	0	109.1	M258 M259 F271 T273 F310	M258-M284 CarbonylContact O-C 3.57Å; M258-M284 WeakPolarHBondContact O-CA 3.5Å; M259-M284 HydrophobicContact CG-CE 4.3Å; M259-M284 HydrophobicContact CG-SD 3.92Å; F271-M284 HydrophobicContact CB-CB 4Å; F271-M284 HydrophobicContact CB-CG 3.74Å; F271-M284 PolarHBondContact O-N 2.63Å; T273-M284 HydrophobicContact CG2-SD 4.31Å; M284-F310 HydrophobicContact CB-CB 3.73Å; M284-F310 HydrophobicContact CB-CD2 3.87Å; M284-F310 HydrophobicContact CB-CG 3.88Å; M284-F310 HydrophobicContact CE-CD2 4.05Å; M284-F310 HydrophobicContact CE-CE1 4.45Å; M284-F310 HydrophobicContact CE-CE2 3.82Å; M284-F310 HydrophobicContact CE-CG 4.47Å; M284-F310 HydrophobicContact CE-CZ 4.02Å
285	R	97.9	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.			trans	-61.1	138.4	-174.5	71.8	173.3	179.3	-164.3	7.4	112.5	T256 P257 M258 E305 R308 L309 F310	T256-R285 PolarHBondContact O-NH1 2.98Å; T256-R285 VanDerWaalsContact O-NH1 3.08Å; T256-R285 PolarHBondContact OG1-NH1 2.95Å; T256-R285 VanDerWaalsContact OG1-NH1 3.11Å; P257-R285 WeakPolarHBondContact O-CD 3.37Å; M258-R285 HydrophobicContact CB-CG 4.48Å; M258-R285 VanDerWaalsContact CE-NH2 3.34Å; M258-R285 HydrophobicContact CG-CG 4.48Å; M258-R285 PolarHBondContact O-N 2.96Å; R285-E305 IonicContact CZ-OE1 2.86Å; R285-E305 IonicContact NH1-OE1 4Å; R285-E305 PolarHBondContact NH1-OE1 3.02Å; R285-E305 IonicContact NH1-OE2 2.93Å; R285-E305 PolarHBondContact NH1-OE2 2.9Å; R285-E305 IonicContact NH2-OE1 3.95Å; R285-E305 PolarHBondContact NH2-OE1 2.97Å; R285-R308 PolarHBondContact NE-O 3.45Å; R285-R308 PolarHBondContact NH2-O 3.02Å; R285-R308 VanDerWaalsContact NH2-O 3.15Å; R285-L309 HydrophobicContact CG-CD2 4.43Å; R285-F310 HydrophobicContact CG-CD2 4.43Å; R285-F310 PolarHBondContact O-N 3.29Å
286	V	97.3	Very high	97.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.249	C	C	.	.	S	Bend	trans	-96	-21.4	172.5	-63.6	0	0	0	0	112.5	G264 A266 A268 P270 L309 F310 R311	G264-V286 WeakPolarHBondContact O-CG2 3.39Å; A266-V286 HydrophobicContact CB-CB 4.43Å; A266-V286 HydrophobicContact CB-CG2 4.08Å; A268-V286 HydrophobicContact CB-CB 4.02Å; A268-V286 HydrophobicContact CB-CG1 3.89Å; P270-V286 HydrophobicContact CB-CG1 4.15Å; V286-L309 WeakPolarHBondContact O-CD1 3.44Å; V286-F310 WeakPolarHBondContact CG1-O 3.47Å; V286-R311 HydrophobicContact CG1-CG 4.46Å
287	A	97.8	Very high	97.9	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.041	22%	0.223	C	C	.	.			trans	-161.1	151.3	171.1	0	0	0	0	0	109.8	A266 E289	A266-A287 HydrophobicContact CB-CB 4.07Å; A287-E289 HydrophobicContact CB-CB 4.34Å
288	P	98.3	Very high	98	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	22%	0.216	C	C	.	.	S	Bend	trans	-84.5	-8.9	170.4	34.4	-39.5	0	0	0	114	T256 L290 Y291 L292 E327	T256-P288 VanDerWaalsContact OG1-CB 3.26Å; T256-P288 WeakPolarHBondContact OG1-CB 3.2Å; P288-L290 PolarHBondContact O-N 3.15Å; P288-L290 VanDerWaalsContact O-N 3.1Å; P288-Y291 WeakPolarHBondContact O-CB 3.39Å; P288-Y291 PolarHBondContact O-N 3.34Å; P288-L292 HydrophobicContact CB-CD1 4.08Å; P288-L292 HydrophobicContact CB-CG 4.24Å; P288-L292 HydrophobicContact CG-CD1 3.88Å; P288-L292 PolarHBondContact O-N 3.06Å; P288-E327 VanDerWaalsContact CD-CD 3.46Å; P288-E327 WeakPolarHBondContact CD-OE1 3.46Å; P288-E327 VanDerWaalsContact CD-OE2 3.23Å; P288-E327 WeakPolarHBondContact CD-OE2 3.45Å; P288-E327 HydrophobicContact CG-CB 4.05Å; P288-E327 HydrophobicContact CG-CG 4.37Å; P288-E327 VanDerWaalsContact CG-OE2 3.26Å; P288-E327 WeakPolarHBondContact CG-OE2 3.37Å
289	E	98.6	Very high	98.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-32.8	-56.2	-175.7	165.4	159.1	-175.2	0	0	116.4	A287 Y291 L292 K293 E327 Y329 L460 Y487	A287-E289 HydrophobicContact CB-CB 4.34Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 3.11Å; E289-L292 PolarHBondContact O-N 3.03Å; E289-K293 VanDerWaalsContact CG-CE 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 IonicContact OE1-NZ 3.99Å; E289-K293 PolarHBondContact OE1-NZ 3.24Å; E289-E327 PolarHBondContact N-OE2 3.47Å; E289-Y329 WeakPolarHBondContact CA-OH 3.48Å; E289-Y329 WeakPolarHBondContact CB-OH 3.28Å; E289-Y329 VanDerWaalsContact CD-OH 3.28Å; E289-Y329 HydrophobicContact CG-CE1 4.35Å; E289-Y329 WeakPolarHBondContact CG-OH 3.38Å; E289-L460 HydrophobicContact CG-CD1 4.37Å; E289-L460 WeakPolarHBondContact OE1-CB 3.42Å; E289-L460 VanDerWaalsContact OE1-CD1 3.23Å; E289-L460 WeakPolarHBondContact OE1-CD1 3.47Å; E289-Y487 WeakPolarHBondContact OE1-CE2 3.36Å; E289-Y487 PolarHBondContact OE1-OH 3.08Å; E289-Y487 PolarHBondContact OE2-OH 2.73Å
290	L	97.9	Very high	98.2	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-37.9	-174.4	-57	-173.7	0	0	0	111.7	P288 M294 L460 D518 Y521	P288-L290 PolarHBondContact O-N 3.15Å; P288-L290 VanDerWaalsContact O-N 3.1Å; L290-M294 WeakPolarHBondContact O-CG 3.48Å; L290-M294 PolarHBondContact O-N 2.68Å; L290-M294 VanDerWaalsContact O-N 3.1Å; L290-L460 HydrophobicContact CD2-CD1 4.36Å; L290-L460 HydrophobicContact CD2-CD2 4.37Å; L290-D518 HydrophobicContact CD1-CB 4.39Å; L290-Y521 HydrophobicContact CB-CD2 3.96Å; L290-Y521 HydrophobicContact CB-CE2 4.39Å; L290-Y521 HydrophobicContact CB-CG 4.28Å; L290-Y521 HydrophobicContact CD1-CG 4.41Å; L290-Y521 HydrophobicContact CD2-CD1 3.91Å; L290-Y521 HydrophobicContact CD2-CD2 4.06Å; L290-Y521 HydrophobicContact CD2-CE1 3.78Å; L290-Y521 HydrophobicContact CD2-CE2 3.96Å; L290-Y521 HydrophobicContact CD2-CG 4.04Å; L290-Y521 HydrophobicContact CG-CD2 4.49Å; L290-Y521 HydrophobicContact CG-CG 4.47Å
291	Y	98.6	Very high	98.3	Very high	67 Å²	67	33 Å²	33	26%	0.263	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-41.9	176	-70.5	-75.7	0	0	0	111.9	T256 P257 P288 E289 K293 M294 L295	T256-Y291 HydrophobicContact CG2-CG 4.44Å; P257-Y291 HydrophobicContact CB-CE2 4.24Å; P257-Y291 HydrophobicContact CG-CD1 4.32Å; P257-Y291 HydrophobicContact CG-CE1 3.85Å; P257-Y291 HydrophobicContact CG-CE2 4.28Å; P288-Y291 WeakPolarHBondContact O-CB 3.39Å; P288-Y291 PolarHBondContact O-N 3.34Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 3.11Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 3.03Å; Y291-M294 HydrophobicContact CD1-CE 3.43Å; Y291-M294 VanDerWaalsContact CD1-CE 3.43Å; Y291-M294 HydrophobicContact CE1-CE 3.84Å; Y291-M294 HydrophobicContact CG-CE 4.04Å; Y291-M294 WeakPolarHBondContact O-CB 3.36Å; Y291-M294 PolarHBondContact O-N 3.26Å; Y291-M294 VanDerWaalsContact O-N 3.14Å; Y291-L295 WeakPolarHBondContact O-CG 3.17Å; Y291-L295 PolarHBondContact O-N 2.87Å
292	L	98.7	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-39.9	179.2	-63.2	176.3	0	0	0	111.2	V254 T256 P288 E289 L295 V296 V303 E305 E327 Y329	V254-L292 HydrophobicContact CG2-CD2 3.48Å; V254-L292 VanDerWaalsContact CG2-CD2 3.48Å; T256-L292 HydrophobicContact CG2-CD2 3.84Å; T256-L292 HydrophobicContact CG2-CG 4.39Å; P288-L292 HydrophobicContact CB-CD1 4.08Å; P288-L292 HydrophobicContact CB-CG 4.24Å; P288-L292 HydrophobicContact CG-CD1 3.88Å; P288-L292 PolarHBondContact O-N 3.06Å; E289-L292 PolarHBondContact O-N 3.03Å; L292-L295 HydrophobicContact CD2-CD1 4.25Å; L292-L295 WeakPolarHBondContact O-CB 3.22Å; L292-L295 PolarHBondContact O-N 2.76Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.35Å; L292-V296 VanDerWaalsContact O-N 3.15Å; L292-V303 HydrophobicContact CB-CG2 4.14Å; L292-V303 HydrophobicContact CD2-CB 4.49Å; L292-V303 HydrophobicContact CD2-CG2 4.03Å; L292-E305 HydrophobicContact CD2-CB 4.41Å; L292-E327 HydrophobicContact CD1-CB 3.84Å; L292-Y329 HydrophobicContact CB-CD2 3.27Å; L292-Y329 HydrophobicContact CB-CE2 3.64Å; L292-Y329 HydrophobicContact CB-CG 3.94Å; L292-Y329 HydrophobicContact CD1-CD2 3.56Å; L292-Y329 HydrophobicContact CD1-CE2 3.54Å; L292-Y329 HydrophobicContact CG-CD2 4.03Å; L292-Y329 HydrophobicContact CG-CE2 4.2Å
293	K	98.7	Very high	98.4	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-40.7	171.3	-77	-172.7	-84.5	-153.7	0	113.4	E289 Y291 L295 V296 V297 Y329 E489 Y521 L529	E289-K293 VanDerWaalsContact CG-CE 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 IonicContact OE1-NZ 3.99Å; E289-K293 PolarHBondContact OE1-NZ 3.24Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 3.03Å; K293-L295 VanDerWaalsContact C-N 3.25Å; K293-L295 PolarHBondContact O-N 3.1Å; K293-V296 WeakPolarHBondContact O-CB 3.37Å; K293-V296 PolarHBondContact O-N 3.05Å; K293-V296 VanDerWaalsContact O-N 3.11Å; K293-V297 WeakPolarHBondContact O-CG2 3.49Å; K293-V297 PolarHBondContact O-N 3.12Å; K293-Y329 HydrophobicContact CD-CD1 4.4Å; K293-Y329 HydrophobicContact CD-CE1 4.02Å; K293-Y329 HydrophobicContact CG-CD1 3.58Å; K293-Y329 HydrophobicContact CG-CE1 3.55Å; K293-E489 HydrophobicContact CD-CB 4.23Å; K293-E489 HydrophobicContact CD-CG 4.13Å; K293-E489 VanDerWaalsContact CD-OE2 3.3Å; K293-E489 WeakPolarHBondContact CD-OE2 3.44Å; K293-E489 WeakPolarHBondContact CE-OE2 3.39Å; K293-E489 IonicContact NZ-OE2 3.4Å; K293-E489 PolarHBondContact NZ-OE2 3.07Å; K293-Y521 HydrophobicContact CB-CE2 3.86Å; K293-Y521 HydrophobicContact CD-CE2 4.18Å; K293-Y521 VanDerWaalsContact CD-OH 3.24Å; K293-Y521 WeakPolarHBondContact CD-OH 3.3Å; K293-Y521 WeakPolarHBondContact CE-OH 3.24Å; K293-Y521 PolarHBondContact NZ-OH 3.11Å; K293-Y521 VanDerWaalsContact NZ-OH 3.17Å; K293-L529 HydrophobicContact CB-CD2 4.32Å; K293-L529 HydrophobicContact CD-CD2 3.88Å; K293-L529 HydrophobicContact CG-CD2 4.18Å
294	M	98.7	Very high	98.5	Very high	52 Å²	52	29.6 Å²	29.6	26%	0.256	17%	0.173	S	C	.	.	H	α-helix	trans	-62.7	-32.3	174.6	-71.3	-170.8	-72.9	0	0	112.5	L290 Y291 V297 G298 Y521 A524	L290-M294 WeakPolarHBondContact O-CG 3.48Å; L290-M294 PolarHBondContact O-N 2.68Å; L290-M294 VanDerWaalsContact O-N 3.1Å; Y291-M294 HydrophobicContact CD1-CE 3.43Å; Y291-M294 VanDerWaalsContact CD1-CE 3.43Å; Y291-M294 HydrophobicContact CE1-CE 3.84Å; Y291-M294 HydrophobicContact CG-CE 4.04Å; Y291-M294 WeakPolarHBondContact O-CB 3.36Å; Y291-M294 PolarHBondContact O-N 3.26Å; Y291-M294 VanDerWaalsContact O-N 3.14Å; M294-V297 WeakPolarHBondContact O-CB 3.28Å; M294-V297 PolarHBondContact O-N 2.72Å; M294-G298 PolarHBondContact O-N 2.72Å; M294-Y521 HydrophobicContact CG-CD2 4.15Å; M294-A524 HydrophobicContact CG-CB 3.63Å; M294-A524 HydrophobicContact SD-CB 4.04Å
295	L	98.8	Very high	98.5	Very high	55 Å²	55	28.1 Å²	28.1	29%	0.288	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-37.8	172.5	-65.9	176.5	0	0	0	112.1	V254 T256 Y291 L292 K293 G298 G299 L300 V303	V254-L295 HydrophobicContact CB-CD1 4.16Å; V254-L295 HydrophobicContact CG1-CD1 4.18Å; V254-L295 HydrophobicContact CG2-CD1 3.81Å; T256-L295 HydrophobicContact CG2-CD1 4.43Å; Y291-L295 WeakPolarHBondContact O-CG 3.17Å; Y291-L295 PolarHBondContact O-N 2.87Å; L292-L295 HydrophobicContact CD2-CD1 4.25Å; L292-L295 WeakPolarHBondContact O-CB 3.22Å; L292-L295 PolarHBondContact O-N 2.76Å; K293-L295 VanDerWaalsContact C-N 3.25Å; K293-L295 PolarHBondContact O-N 3.1Å; L295-G298 CarbonylContact O-C 3.54Å; L295-G298 WeakPolarHBondContact O-CA 3.34Å; L295-G298 PolarHBondContact O-N 3.29Å; L295-G298 VanDerWaalsContact O-N 3.08Å; L295-G299 PolarHBondContact O-N 3.46Å; L295-L300 HydrophobicContact CB-CB 4.43Å; L295-L300 HydrophobicContact CB-CD1 4.19Å; L295-L300 HydrophobicContact CD2-CD1 4.21Å; L295-L300 WeakPolarHBondContact O-CB 3.44Å; L295-L300 PolarHBondContact O-N 3.07Å; L295-V303 HydrophobicContact CB-CG1 4.28Å; L295-V303 HydrophobicContact CD1-CG1 4.37Å
296	V	98.9	Very high	98.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-41.3	173.8	-177.9	0	0	0	0	111.1	L292 K293 G298 G299 V303 A331 L529 T532	L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.35Å; L292-V296 VanDerWaalsContact O-N 3.15Å; K293-V296 WeakPolarHBondContact O-CB 3.37Å; K293-V296 PolarHBondContact O-N 3.05Å; K293-V296 VanDerWaalsContact O-N 3.11Å; V296-G298 PolarHBondContact O-N 2.85Å; V296-G299 PolarHBondContact O-N 2.93Å; V296-V303 HydrophobicContact CG2-CG2 4.24Å; V296-A331 HydrophobicContact CG1-CB 3.9Å; V296-L529 HydrophobicContact CB-CD1 3.83Å; V296-L529 HydrophobicContact CG1-CD1 3.76Å; V296-T532 HydrophobicContact CG1-CG2 4.39Å; V296-T532 HydrophobicContact CG2-CG2 4.47Å
297	V	98.8	Very high	98.6	Very high	36 Å²	36	29.6 Å²	29.6	22%	0.218	18%	0.175	C	C	.	.	H	α-helix	trans	-55.1	-40.2	168.5	173.2	0	0	0	0	110.7	K293 M294 G299 A524 L529	K293-V297 WeakPolarHBondContact O-CG2 3.49Å; K293-V297 PolarHBondContact O-N 3.12Å; M294-V297 WeakPolarHBondContact O-CB 3.28Å; M294-V297 PolarHBondContact O-N 2.72Å; V297-G299 PolarHBondContact O-N 3.05Å; V297-A524 WeakPolarHBondContact CG1-O 3.43Å; V297-L529 HydrophobicContact CG2-CB 3.74Å; V297-L529 HydrophobicContact CG2-CD1 4.1Å
298	G	98.6	Very high	98.6	Very high	67 Å²	67	33.7 Å²	33.7	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-1.9	175.5	0	0	0	0	0	115.7	M294 L295 V296	M294-G298 PolarHBondContact O-N 2.72Å; L295-G298 CarbonylContact O-C 3.54Å; L295-G298 WeakPolarHBondContact O-CA 3.34Å; L295-G298 PolarHBondContact O-N 3.29Å; L295-G298 VanDerWaalsContact O-N 3.08Å; V296-G298 PolarHBondContact O-N 2.85Å
299	G	98.4	Very high	98.6	Very high	48 Å²	48	33.8 Å²	33.8	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	10.6	178	0	0	0	0	0	115.1	L295 V296 V297 D301	L295-G299 PolarHBondContact O-N 3.46Å; V296-G299 PolarHBondContact O-N 2.93Å; V297-G299 PolarHBondContact O-N 3.05Å; G299-D301 PolarHBondContact O-N 3.21Å
300	L	98.6	Very high	98.6	Very high	68 Å²	68	35 Å²	35	36%	0.356	20%	0.195	S	C	.	.			trans	-86	84.8	169.5	-59.5	-178	0	0	0	109.5	L252 L295 R302 V303	L252-L300 HydrophobicContact CD2-CD1 4.13Å; L252-L300 HydrophobicContact CD2-CD2 4.33Å; L295-L300 HydrophobicContact CB-CB 4.43Å; L295-L300 HydrophobicContact CB-CD1 4.19Å; L295-L300 HydrophobicContact CD2-CD1 4.21Å; L295-L300 WeakPolarHBondContact O-CB 3.44Å; L295-L300 PolarHBondContact O-N 3.07Å; L300-R302 PolarHBondContact O-N 3.44Å; L300-V303 HydrophobicContact CB-CG1 3.57Å; L300-V303 HydrophobicContact CD1-CG1 4.13Å
301	D	98.7	Very high	98.6	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	20%	0.204	S	C	.	.	S	Bend	trans	-57.7	-22.6	-171.8	-71	-29.1	0	0	0	114.9	G299 A331	G299-D301 PolarHBondContact O-N 3.21Å; D301-A331 HydrophobicContact CB-CB 3.94Å; D301-A331 WeakPolarHBondContact O-CB 3.43Å; D301-A331 PolarHBondContact O-N 2.99Å
302	R	98.8	Very high	98.5	Very high	97 Å²	97	37.8 Å²	37.8	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	106.1	-178.3	-64.7	-175.3	-173.8	178.6	0.6	110.1	L249 F251 L252 L300 Y329 M330	L249-R302 PolarHBondContact O-NH1 3.19Å; F251-R302 WeakPolarHBondContact CA-O 3.46Å; F251-R302 HydrophobicContact CB-CB 4.24Å; F251-R302 HydrophobicContact CD1-CB 3.69Å; F251-R302 HydrophobicContact CD2-CB 4.15Å; F251-R302 HydrophobicContact CE1-CB 3.97Å; F251-R302 HydrophobicContact CE1-CG 4.37Å; F251-R302 HydrophobicContact CE2-CB 4.43Å; F251-R302 HydrophobicContact CE2-CG 4.43Å; F251-R302 HydrophobicContact CG-CB 3.77Å; F251-R302 HydrophobicContact CZ-CB 4.34Å; F251-R302 HydrophobicContact CZ-CG 4.33Å; L252-R302 PolarHBondContact N-O 3.03Å; L300-R302 PolarHBondContact O-N 3.44Å; R302-Y329 WeakPolarHBondContact CA-O 3.47Å; R302-M330 HydrophobicContact CG-CG 4.24Å
303	V	98.9	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.2	178.5	-65.9	0	0	0	0	110.6	L252 V254 L292 L295 V296 L300 F328 Y329	L252-V303 WeakPolarHBondContact O-CA 3.38Å; V254-V303 HydrophobicContact CG1-CB 4.38Å; V254-V303 HydrophobicContact CG1-CG1 4.12Å; V254-V303 HydrophobicContact CG2-CB 4.15Å; L292-V303 HydrophobicContact CB-CG2 4.14Å; L292-V303 HydrophobicContact CD2-CB 4.49Å; L292-V303 HydrophobicContact CD2-CG2 4.03Å; L295-V303 HydrophobicContact CB-CG1 4.28Å; L295-V303 HydrophobicContact CD1-CG1 4.37Å; V296-V303 HydrophobicContact CG2-CG2 4.24Å; L300-V303 HydrophobicContact CB-CG1 3.57Å; L300-V303 HydrophobicContact CD1-CG1 4.13Å; V303-F328 CarbonylContact O-C 3.48Å; V303-F328 WeakPolarHBondContact O-CA 3.38Å; V303-F328 WeakPolarHBondContact O-CB 3.33Å; V303-Y329 PolarHBondContact N-O 2.89Å; V303-Y329 VanDerWaalsContact N-O 3.11Å; V303-Y329 PolarHBondContact O-N 2.98Å
304	Y	98.9	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.8	168.6	81.1	-79.9	0	0	0	111.9	R243 F246 D247 F251 L252 E253 V254 I306 L326 E327	R243-Y304 HydrophobicContact CG-CE2 4.19Å; F246-Y304 HydrophobicContact CB-CD1 3.96Å; F246-Y304 HydrophobicContact CB-CE1 3.91Å; F246-Y304 HydrophobicContact CB-CG 4.27Å; D247-Y304 WeakPolarHBondContact OD1-CE1 3.41Å; D247-Y304 PolarHBondContact OD1-OH 3.34Å; F251-Y304 HydrophobicContact CB-CD1 3.67Å; F251-Y304 HydrophobicContact CB-CE1 4.22Å; L252-Y304 PolarHBondContact O-N 3.03Å; E253-Y304 CarbonylContact C-O 3.54Å; E253-Y304 WeakPolarHBondContact CA-O 3.3Å; E253-Y304 HydrophobicContact CB-CD1 4.21Å; E253-Y304 HydrophobicContact CB-CE1 3.57Å; E253-Y304 HydrophobicContact CB-CE2 4.11Å; E253-Y304 HydrophobicContact CG-CD2 4.37Å; E253-Y304 HydrophobicContact CG-CE1 4.18Å; E253-Y304 HydrophobicContact CG-CE2 3.77Å; V254-Y304 PolarHBondContact N-O 3.24Å; Y304-I306 HydrophobicContact CD2-CG1 4.18Å; Y304-I306 HydrophobicContact CE2-CD1 4.19Å; Y304-I306 HydrophobicContact CE2-CG1 4.14Å; Y304-L326 HydrophobicContact CD2-CD1 3.57Å; Y304-L326 HydrophobicContact CE2-CD1 4.36Å; Y304-L326 HydrophobicContact CG-CD1 4.32Å; Y304-E327 CarbonylContact C-O 3.51Å; Y304-E327 WeakPolarHBondContact CA-O 3.32Å; Y304-E327 WeakPolarHBondContact CB-O 3.44Å
305	E	98.9	Very high	97.4	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.3	172.9	-178.6	171.7	173.3	0	0	109.8	V254 T256 R285 L292 L326 E327	V254-E305 WeakPolarHBondContact O-CG 3.42Å; T256-E305 WeakPolarHBondContact CB-OE2 3.08Å; T256-E305 WeakPolarHBondContact CG2-OE2 3.43Å; T256-E305 PolarHBondContact N-OE2 3.33Å; T256-E305 VanDerWaalsContact N-OE2 3.09Å; T256-E305 PolarHBondContact OG1-OE2 2.77Å; R285-E305 IonicContact CZ-OE1 2.86Å; R285-E305 IonicContact NH1-OE1 4Å; R285-E305 PolarHBondContact NH1-OE1 3.02Å; R285-E305 IonicContact NH1-OE2 2.93Å; R285-E305 PolarHBondContact NH1-OE2 2.9Å; R285-E305 IonicContact NH2-OE1 3.95Å; R285-E305 PolarHBondContact NH2-OE1 2.97Å; L292-E305 HydrophobicContact CD2-CB 4.41Å; E305-L326 WeakPolarHBondContact O-CA 3.23Å; E305-E327 PolarHBondContact N-O 3.12Å; E305-E327 PolarHBondContact O-N 3.49Å
306	I	98.8	Very high	97.2	Very high	24 Å²	24	47.1 Å²	47.1	12%	0.123	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	101.4	165.5	-62.5	178.6	0	0	0	108	I239 L242 R243 Y304 T324 S325 L326 I539	I239-I306 HydrophobicContact CG2-CD1 4.15Å; I239-I306 HydrophobicContact CG2-CG2 4.44Å; L242-I306 HydrophobicContact CB-CD1 4.44Å; R243-I306 HydrophobicContact CG-CD1 3.75Å; Y304-I306 HydrophobicContact CD2-CG1 4.18Å; Y304-I306 HydrophobicContact CE2-CD1 4.19Å; Y304-I306 HydrophobicContact CE2-CG1 4.14Å; I306-T324 HydrophobicContact CG2-CG2 3.9Å; I306-S325 WeakPolarHBondContact CA-O 3.42Å; I306-L326 HydrophobicContact CD1-CD1 4.05Å; I306-L326 HydrophobicContact CG1-CB 4.1Å; I306-L326 HydrophobicContact CG1-CD1 3.48Å; I306-L326 VanDerWaalsContact CG1-CD1 3.48Å; I306-L326 HydrophobicContact CG1-CG 4.4Å; I306-I539 HydrophobicContact CD1-CD1 4.47Å; I306-I539 HydrophobicContact CG1-CD1 4.37Å; I306-I539 HydrophobicContact CG2-CD1 3.57Å
307	G	98.4	Very high	97	Very high	8 Å²	8	51.8 Å²	51.8	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	168.5	-165.8	0	0	0	0	0	114.1	T324 S325	G307-T324 VanDerWaalsContact O-CA 3.28Å; G307-T324 WeakPolarHBondContact O-CA 3.46Å; G307-S325 PolarHBondContact N-O 3.25Å; G307-S325 PolarHBondContact O-N 3.47Å; G307-S325 VanDerWaalsContact O-N 3.11Å
308	R	98.6	Very high	96.7	Very high	92 Å²	92	50.9 Å²	50.9	35%	0.347	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.7	172.2	-165.3	61.7	48.8	81.6	4.2	109.7	M258 R285 F310 E322 F323 T324	M258-R308 HydrophobicContact CE-CB 4.35Å; R285-R308 PolarHBondContact NE-O 3.45Å; R285-R308 PolarHBondContact NH2-O 3.02Å; R285-R308 VanDerWaalsContact NH2-O 3.15Å; R308-F310 HydrophobicContact CB-CE2 4.21Å; R308-F310 HydrophobicContact CB-CZ 3.92Å; R308-F310 HydrophobicContact CG-CD1 4.39Å; R308-F310 HydrophobicContact CG-CE1 3.67Å; R308-F310 HydrophobicContact CG-CE2 4.08Å; R308-F310 HydrophobicContact CG-CZ 3.49Å; R308-F310 VanDerWaalsContact CG-CZ 3.49Å; R308-E322 HydrophobicContact CG-CB 4.12Å; R308-E322 IonicContact CZ-OE2 3.29Å; R308-E322 IonicContact NH1-OE2 3.94Å; R308-E322 PolarHBondContact NH1-OE2 3.14Å; R308-F323 CarbonylContact C-O 3.54Å; R308-F323 WeakPolarHBondContact CA-O 3.28Å; R308-F323 WeakPolarHBondContact CD-O 3.37Å; R308-T324 PolarHBondContact NE-OG1 3.07Å
309	L	98.3	Very high	96.6	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	155.1	168.8	-51.8	-171.8	0	0	0	109	R285 V286 E322 F323 S325	R285-L309 HydrophobicContact CG-CD2 4.43Å; V286-L309 WeakPolarHBondContact O-CD1 3.44Å; L309-E322 VanDerWaalsContact O-CA 3.3Å; L309-E322 WeakPolarHBondContact O-CA 3.47Å; L309-F323 HydrophobicContact CB-CD1 4.43Å; L309-F323 HydrophobicContact CB-CD2 4.39Å; L309-F323 HydrophobicContact CB-CE1 3.91Å; L309-F323 HydrophobicContact CB-CE2 3.9Å; L309-F323 HydrophobicContact CB-CZ 3.61Å; L309-F323 HydrophobicContact CD1-CE2 3.64Å; L309-F323 HydrophobicContact CD1-CZ 3.8Å; L309-F323 HydrophobicContact CG-CE2 4.14Å; L309-F323 HydrophobicContact CG-CZ 4.25Å; L309-F323 PolarHBondContact N-O 3.03Å; L309-F323 PolarHBondContact O-N 2.84Å; L309-F323 VanDerWaalsContact O-N 3.07Å; L309-S325 VanDerWaalsContact CD1-OG 3.27Å; L309-S325 WeakPolarHBondContact CD1-OG 3.29Å
310	F	98.4	Very high	96.6	Very high	32 Å²	32	48.5 Å²	48.5	14%	0.14	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.8	-175.2	-51.7	-91.1	0	0	0	110.2	M258 F271 M284 R285 V286 R308 P321 E322	M258-F310 HydrophobicContact CB-CE2 4.49Å; M258-F310 HydrophobicContact SD-CE2 4.26Å; M258-F310 HydrophobicContact SD-CZ 4.48Å; F271-F310 HydrophobicContact CD2-CB 3.87Å; F271-F310 HydrophobicContact CE2-CB 4.37Å; M284-F310 HydrophobicContact CB-CB 3.73Å; M284-F310 HydrophobicContact CB-CD2 3.87Å; M284-F310 HydrophobicContact CB-CG 3.88Å; M284-F310 HydrophobicContact CE-CD2 4.05Å; M284-F310 HydrophobicContact CE-CE1 4.45Å; M284-F310 HydrophobicContact CE-CE2 3.82Å; M284-F310 HydrophobicContact CE-CG 4.47Å; M284-F310 HydrophobicContact CE-CZ 4.02Å; R285-F310 HydrophobicContact CG-CD2 4.43Å; R285-F310 PolarHBondContact O-N 3.29Å; V286-F310 WeakPolarHBondContact CG1-O 3.47Å; R308-F310 HydrophobicContact CB-CE2 4.21Å; R308-F310 HydrophobicContact CB-CZ 3.92Å; R308-F310 HydrophobicContact CG-CD1 4.39Å; R308-F310 HydrophobicContact CG-CE1 3.67Å; R308-F310 HydrophobicContact CG-CE2 4.08Å; R308-F310 HydrophobicContact CG-CZ 3.49Å; R308-F310 VanDerWaalsContact CG-CZ 3.49Å; F310-P321 CarbonylContact C-O 3.55Å; F310-P321 VanDerWaalsContact CA-O 3.3Å; F310-P321 WeakPolarHBondContact CA-O 3.27Å; F310-E322 HydrophobicContact CD1-CB 3.86Å; F310-E322 HydrophobicContact CE1-CB 4.06Å
311	R	97.4	Very high	96.5	Very high	62 Å²	62	46.4 Å²	46.4	23%	0.234	23%	0.234	C	C	.	.			trans	-128.7	123.1	177.8	-66.9	-176.2	-175.6	-178.7	1.9	110	A268 F271 V286 E313 P321 F323	A268-R311 HydrophobicContact CB-CG 3.76Å; F271-R311 VanDerWaalsContact CE2-C 3.47Å; F271-R311 WeakPolarHBondContact CE2-O 3.48Å; V286-R311 HydrophobicContact CG1-CG 4.46Å; R311-E313 HydrophobicContact CB-CG 4.16Å; R311-E313 WeakPolarHBondContact CD-OE1 3.47Å; R311-E313 PolarHBondContact O-N 2.97Å; R311-P321 PolarHBondContact N-O 3.02Å; R311-P321 WeakPolarHBondContact O-CA 3.49Å; R311-F323 HydrophobicContact CB-CE1 4.31Å; R311-F323 HydrophobicContact CG-CE1 3.8Å; R311-F323 HydrophobicContact CG-CZ 4.28Å
312	N	96.3	Very high	96.5	Very high	71 Å²	71	46.8 Å²	46.8	38%	0.38	23%	0.234	S	C	.	.			trans	-83.6	62.1	-179.7	-170.5	8.9	0	0	0	110.1	K269 P270 F271	K269-N312 HydrophobicContact CG-CB 4.29Å; K269-N312 WeakPolarHBondContact O-CB 3.25Å; K269-N312 PolarHBondContact O-N 3.13Å; P270-N312 WeakPolarHBondContact O-CB 3.36Å; F271-N312 HydrophobicContact CD1-CB 4.12Å; F271-N312 HydrophobicContact CD2-CB 3.99Å; F271-N312 HydrophobicContact CE1-CB 4.07Å; F271-N312 HydrophobicContact CE2-CB 3.97Å; F271-N312 HydrophobicContact CG-CB 4.08Å; F271-N312 HydrophobicContact CZ-CB 4Å
313	E	91.3	Very high	96.5	Very high	58 Å²	58	43.9 Å²	43.9	27%	0.271	22%	0.224	S	C	.	.			trans	-118.5	179.3	-174.5	-71.3	165.4	-158.3	0	0	110.4	A268 R311	A268-E313 VanDerWaalsContact CB-OE1 3.3Å; A268-E313 WeakPolarHBondContact CB-OE1 3.34Å; R311-E313 HydrophobicContact CB-CG 4.16Å; R311-E313 WeakPolarHBondContact CD-OE1 3.47Å; R311-E313 PolarHBondContact O-N 2.97Å
314	S	89.2	Confident	96.5	Very high	102 Å²	102	44.4 Å²	44.4	71%	0.713	23%	0.227	S	C	*	.			trans	-70.2	154.7	177.2	-67.5	0	0	0	0	112
315	I	93.3	Very high	96.4	Very high	72 Å²	72	44.7 Å²	44.7	37%	0.369	23%	0.229	S	C	.	.			trans	-96.6	125.7	174.8	-57	-178.3	0	0	0	108.6	P321 K553 A560	I315-P321 HydrophobicContact CD1-CG 3.9Å; I315-P321 HydrophobicContact CG1-CG 3.82Å; I315-K553 VanDerWaalsContact CG2-NZ 3.25Å; I315-A560 HydrophobicContact CD1-CB 3.77Å
316	D	93.9	Very high	96.4	Very high	71 Å²	71	44.3 Å²	44.3	38%	0.38	23%	0.227	S	C	.	.			trans	-138.8	-158.6	175.5	67.5	32.9	0	0	0	112	T318 H319	D316-T318 VanDerWaalsContact C-N 3.26Å; D316-T318 PolarHBondContact O-N 3.13Å; D316-T318 WeakPolarHBondContact OD1-CA 3.47Å; D316-T318 PolarHBondContact OD1-N 3.3Å; D316-T318 PolarHBondContact OD1-OG1 2.88Å; D316-H319 PolarHBondContact N-O 3.09Å; D316-H319 WeakPolarHBondContact OD1-CB 3.45Å; D316-H319 IonicContact OD1-CG 3.28Å; D316-H319 PolarHBondContact OD1-N 3.36Å; D316-H319 IonicContact OD1-ND1 3.74Å; D316-H319 PolarHBondContact OD1-ND1 3.48Å; D316-H319 IonicContact OD2-CE1 2.87Å; D316-H319 IonicContact OD2-CG 3.67Å; D316-H319 IonicContact OD2-ND1 2.7Å; D316-H319 PolarHBondContact OD2-ND1 3.42Å
317	L	94.2	Very high	96.4	Very high	99 Å²	99	43.9 Å²	43.9	52%	0.518	23%	0.225	S	C	.	.	S	Bend	trans	-68.8	-22.3	-179.6	-66.6	-179.5	0	0	0	113.7	N551 I552	L317-N551 HydrophobicContact CD2-CB 4.13Å; L317-N551 CarbonylContact O-C 3.59Å; L317-N551 WeakPolarHBondContact O-CA 3.47Å; L317-I552 PolarHBondContact O-N 2.79Å
318	T	93.7	Very high	96.5	Very high	18 Å²	18	43.5 Å²	43.5	11%	0.11	22%	0.221	C	C	.	.	S	Bend	trans	-125.2	-7	-174.4	48.7	0	0	0	0	113.8	D316 M544 I552	D316-T318 VanDerWaalsContact C-N 3.26Å; D316-T318 PolarHBondContact O-N 3.13Å; D316-T318 WeakPolarHBondContact OD1-CA 3.47Å; D316-T318 PolarHBondContact OD1-N 3.3Å; D316-T318 PolarHBondContact OD1-OG1 2.88Å; T318-M544 HydrophobicContact CG2-CE 4.22Å; T318-I552 WeakPolarHBondContact O-CD1 3.32Å
319	H	95.8	Very high	96.5	Very high	57 Å²	57	39.3 Å²	39.3	26%	0.264	21%	0.205	S	C	.	.			trans	-120.4	130.4	-178.1	-59.3	102.1	0	0	0	112	D316 R541	D316-H319 PolarHBondContact N-O 3.09Å; D316-H319 WeakPolarHBondContact OD1-CB 3.45Å; D316-H319 IonicContact OD1-CG 3.28Å; D316-H319 PolarHBondContact OD1-N 3.36Å; D316-H319 IonicContact OD1-ND1 3.74Å; D316-H319 PolarHBondContact OD1-ND1 3.48Å; D316-H319 IonicContact OD2-CE1 2.87Å; D316-H319 IonicContact OD2-CG 3.67Å; D316-H319 IonicContact OD2-ND1 2.7Å; D316-H319 PolarHBondContact OD2-ND1 3.42Å; H319-R541 PolarHBondContact NE2-NH2 2.87Å
320	N	97.4	Very high	96.5	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.043	21%	0.211	C	C	.	.			trans	-131.2	144.7	170	-172.2	82.8	0	0	0	107.7	E322 I552 L556 A560	N320-E322 PolarHBondContact ND2-O 3.3Å; N320-E322 PolarHBondContact O-N 2.88Å; N320-E322 VanDerWaalsContact O-N 3.07Å; N320-I552 HydrophobicContact CB-CD1 4.19Å; N320-I552 HydrophobicContact CB-CG2 4.39Å; N320-L556 HydrophobicContact CB-CD1 3.6Å; N320-A560 WeakPolarHBondContact OD1-CB 3.39Å; N320-A560 PolarHBondContact OD1-N 3.08Å; N320-A560 VanDerWaalsContact OD1-N 3.07Å
321	P	97.4	Very high	96.5	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	21%	0.205	C	C	.	.	S	Bend	trans	-64.3	-23	-169.3	-21.7	34.2	0	0	0	113.7	F271 F310 R311 I315 A560	F271-P321 HydrophobicContact CE2-CB 4.01Å; F271-P321 HydrophobicContact CZ-CB 3.8Å; F310-P321 CarbonylContact C-O 3.55Å; F310-P321 VanDerWaalsContact CA-O 3.3Å; F310-P321 WeakPolarHBondContact CA-O 3.27Å; R311-P321 PolarHBondContact N-O 3.02Å; R311-P321 WeakPolarHBondContact O-CA 3.49Å; I315-P321 HydrophobicContact CD1-CG 3.9Å; I315-P321 HydrophobicContact CG1-CG 3.82Å; P321-A560 HydrophobicContact CG-CB 4.12Å
322	E	98.1	Very high	96.6	Very high	75 Å²	75	43.7 Å²	43.7	35%	0.35	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.1	166.9	71	172.7	147.3	0	0	109.7	R308 L309 F310 N320	R308-E322 HydrophobicContact CG-CB 4.12Å; R308-E322 IonicContact CZ-OE2 3.29Å; R308-E322 IonicContact NH1-OE2 3.94Å; R308-E322 PolarHBondContact NH1-OE2 3.14Å; L309-E322 VanDerWaalsContact O-CA 3.3Å; L309-E322 WeakPolarHBondContact O-CA 3.47Å; F310-E322 HydrophobicContact CD1-CB 3.86Å; F310-E322 HydrophobicContact CE1-CB 4.06Å; N320-E322 PolarHBondContact ND2-O 3.3Å; N320-E322 PolarHBondContact O-N 2.88Å; N320-E322 VanDerWaalsContact O-N 3.07Å
323	F	98.5	Very high	96.7	Very high	37 Å²	37	40.6 Å²	40.6	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.5	-177.9	63.6	-83.4	0	0	0	111.1	R308 L309 R311	R308-F323 CarbonylContact C-O 3.54Å; R308-F323 WeakPolarHBondContact CA-O 3.28Å; R308-F323 WeakPolarHBondContact CD-O 3.37Å; L309-F323 HydrophobicContact CB-CD1 4.43Å; L309-F323 HydrophobicContact CB-CD2 4.39Å; L309-F323 HydrophobicContact CB-CE1 3.91Å; L309-F323 HydrophobicContact CB-CE2 3.9Å; L309-F323 HydrophobicContact CB-CZ 3.61Å; L309-F323 HydrophobicContact CD1-CE2 3.64Å; L309-F323 HydrophobicContact CD1-CZ 3.8Å; L309-F323 HydrophobicContact CG-CE2 4.14Å; L309-F323 HydrophobicContact CG-CZ 4.25Å; L309-F323 PolarHBondContact N-O 3.03Å; L309-F323 PolarHBondContact O-N 2.84Å; L309-F323 VanDerWaalsContact O-N 3.07Å; R311-F323 HydrophobicContact CB-CE1 4.31Å; R311-F323 HydrophobicContact CG-CE1 3.8Å; R311-F323 HydrophobicContact CG-CZ 4.28Å
324	T	98.8	Very high	97	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.9	-175.6	-67.6	0	0	0	0	110.8	I306 G307 R308 I539 D540	I306-T324 HydrophobicContact CG2-CG2 3.9Å; G307-T324 VanDerWaalsContact O-CA 3.28Å; G307-T324 WeakPolarHBondContact O-CA 3.46Å; R308-T324 PolarHBondContact NE-OG1 3.07Å; T324-I539 HydrophobicContact CG2-CB 4.11Å; T324-I539 HydrophobicContact CG2-CD1 3.79Å; T324-I539 HydrophobicContact CG2-CG1 4.49Å; T324-I539 HydrophobicContact CG2-CG2 4.38Å; T324-I539 WeakPolarHBondContact O-CB 3.32Å; T324-I539 PolarHBondContact O-N 3.45Å; T324-D540 PolarHBondContact N-OD2 3.17Å
325	S	98.5	Very high	97.5	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.8	168.4	66.2	0	0	0	0	110.8	I306 G307 L309 E327 L537	I306-S325 WeakPolarHBondContact CA-O 3.42Å; G307-S325 PolarHBondContact N-O 3.25Å; G307-S325 PolarHBondContact O-N 3.47Å; G307-S325 VanDerWaalsContact O-N 3.11Å; L309-S325 VanDerWaalsContact CD1-OG 3.27Å; L309-S325 WeakPolarHBondContact CD1-OG 3.29Å; S325-E327 PolarHBondContact OG-OE1 2.95Å; S325-L537 CarbonylContact C-O 3.59Å; S325-L537 VanDerWaalsContact CA-O 3.28Å; S325-L537 WeakPolarHBondContact CA-O 3.41Å
326	L	98.7	Very high	97.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.7	153.6	163	76.9	0	0	0	106.1	L242 F246 Y304 E305 I306 G536 L537 I539	L242-L326 HydrophobicContact CD1-CD2 4.33Å; L242-L326 HydrophobicContact CD2-CD2 4.31Å; F246-L326 HydrophobicContact CD2-CD1 4.22Å; F246-L326 HydrophobicContact CD2-CD2 4.11Å; F246-L326 HydrophobicContact CE2-CD1 4.18Å; F246-L326 HydrophobicContact CE2-CD2 3.27Å; F246-L326 HydrophobicContact CE2-CG 4.31Å; F246-L326 HydrophobicContact CZ-CD2 3.73Å; Y304-L326 HydrophobicContact CD2-CD1 3.57Å; Y304-L326 HydrophobicContact CE2-CD1 4.36Å; Y304-L326 HydrophobicContact CG-CD1 4.32Å; E305-L326 WeakPolarHBondContact O-CA 3.23Å; I306-L326 HydrophobicContact CD1-CD1 4.05Å; I306-L326 HydrophobicContact CG1-CB 4.1Å; I306-L326 HydrophobicContact CG1-CD1 3.48Å; I306-L326 VanDerWaalsContact CG1-CD1 3.48Å; I306-L326 HydrophobicContact CG1-CG 4.4Å; L326-G536 CarbonylContact O-C 3.58Å; L326-G536 WeakPolarHBondContact O-CA 3.37Å; L326-L537 HydrophobicContact CB-CB 4.33Å; L326-L537 HydrophobicContact CD2-CB 4.48Å; L326-L537 HydrophobicContact CD2-CD2 4.01Å; L326-L537 PolarHBondContact N-O 3.5Å; L326-L537 PolarHBondContact O-N 3.47Å; L326-I539 HydrophobicContact CB-CD1 3.98Å; L326-I539 HydrophobicContact CB-CG1 4.41Å
327	E	98.8	Very high	98	Very high	15 Å²	15	35.6 Å²	35.6	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.6	167.6	-80.7	174.4	-132.2	0	0	110.7	P288 E289 L292 Y304 E305 S325 Y535	P288-E327 VanDerWaalsContact CD-CD 3.46Å; P288-E327 WeakPolarHBondContact CD-OE1 3.46Å; P288-E327 VanDerWaalsContact CD-OE2 3.23Å; P288-E327 WeakPolarHBondContact CD-OE2 3.45Å; P288-E327 HydrophobicContact CG-CB 4.05Å; P288-E327 HydrophobicContact CG-CG 4.37Å; P288-E327 VanDerWaalsContact CG-OE2 3.26Å; P288-E327 WeakPolarHBondContact CG-OE2 3.37Å; E289-E327 PolarHBondContact N-OE2 3.47Å; L292-E327 HydrophobicContact CD1-CB 3.84Å; Y304-E327 CarbonylContact C-O 3.51Å; Y304-E327 WeakPolarHBondContact CA-O 3.32Å; Y304-E327 WeakPolarHBondContact CB-O 3.44Å; E305-E327 PolarHBondContact N-O 3.12Å; E305-E327 PolarHBondContact O-N 3.49Å; S325-E327 PolarHBondContact OG-OE1 2.95Å; E327-Y535 CarbonylContact C-O 3.57Å; E327-Y535 WeakPolarHBondContact CA-O 3.25Å
328	F	98.8	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.9	175	75.2	-103.2	0	0	0	111.8	F246 F251 V303 L338 M341 G534 Y535	F246-F328 HydrophobicContact CD1-CD1 4.26Å; F246-F328 HydrophobicContact CD1-CG 4.45Å; F246-F328 AromaticContact CE1-CD1 3.38Å; F246-F328 HydrophobicContact CE1-CD1 3.38Å; F246-F328 HydrophobicContact CE1-CD2 4.45Å; F246-F328 AromaticContact CE1-CE1 3.44Å; F246-F328 HydrophobicContact CE1-CE1 3.44Å; F246-F328 VanDerWaalsContact CE1-CE1 3.44Å; F246-F328 HydrophobicContact CE1-CE2 4.49Å; F246-F328 AromaticContact CE1-CG 3.92Å; F246-F328 HydrophobicContact CE1-CG 3.92Å; F246-F328 HydrophobicContact CE1-CZ 4.03Å; F246-F328 AromaticContact CZ-CD1 3.58Å; F246-F328 HydrophobicContact CZ-CD1 3.58Å; F246-F328 AromaticContact CZ-CE1 3.56Å; F246-F328 HydrophobicContact CZ-CE1 3.56Å; F246-F328 HydrophobicContact CZ-CZ 4.49Å; F251-F328 HydrophobicContact CD1-CB 4.15Å; F251-F328 HydrophobicContact CE1-CB 3.9Å; F251-F328 AromaticContact CE1-CD2 3.51Å; F251-F328 HydrophobicContact CE1-CD2 3.51Å; F251-F328 HydrophobicContact CE1-CE2 4.32Å; F251-F328 AromaticContact CE1-CG 3.98Å; F251-F328 HydrophobicContact CE1-CG 3.98Å; F251-F328 AromaticContact CZ-CD2 3.81Å; F251-F328 HydrophobicContact CZ-CD2 3.81Å; F251-F328 HydrophobicContact CZ-CE2 4.17Å; F251-F328 HydrophobicContact CZ-CG 4.49Å; V303-F328 CarbonylContact O-C 3.48Å; V303-F328 WeakPolarHBondContact O-CA 3.38Å; V303-F328 WeakPolarHBondContact O-CB 3.33Å; F328-L338 HydrophobicContact CE2-CD2 3.49Å; F328-L338 VanDerWaalsContact CE2-CD2 3.49Å; F328-L338 HydrophobicContact CZ-CD2 3.83Å; F328-M341 HydrophobicContact CE2-CE 4.09Å; F328-M341 HydrophobicContact CE2-SD 4.45Å; F328-M341 HydrophobicContact CZ-CE 4.03Å; F328-G534 WeakPolarHBondContact O-CA 3.4Å; F328-Y535 AromaticContact CD1-CD1 3.75Å; F328-Y535 HydrophobicContact CD1-CD1 3.75Å; F328-Y535 AromaticContact CD1-CG 3.93Å; F328-Y535 HydrophobicContact CD1-CG 3.93Å; F328-Y535 AromaticContact CE1-CD1 3.21Å; F328-Y535 HydrophobicContact CE1-CD1 3.21Å; F328-Y535 AromaticContact CE1-CD2 3.95Å; F328-Y535 HydrophobicContact CE1-CD2 3.95Å; F328-Y535 AromaticContact CE1-CE1 3.88Å; F328-Y535 HydrophobicContact CE1-CE1 3.88Å; F328-Y535 AromaticContact CE1-CG 3.22Å; F328-Y535 HydrophobicContact CE1-CG 3.22Å; F328-Y535 HydrophobicContact CE2-CG 4.33Å; F328-Y535 AromaticContact CZ-CD1 3.95Å; F328-Y535 HydrophobicContact CZ-CD1 3.95Å; F328-Y535 AromaticContact CZ-CD2 3.82Å; F328-Y535 HydrophobicContact CZ-CD2 3.82Å; F328-Y535 AromaticContact CZ-CG 3.46Å; F328-Y535 HydrophobicContact CZ-CG 3.46Å; F328-Y535 VanDerWaalsContact CZ-CG 3.46Å; F328-Y535 PolarHBondContact N-O 2.96Å; F328-Y535 PolarHBondContact O-N 3.38Å
329	Y	98.8	Very high	98.4	Very high	3 Å²	3	30 Å²	30	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.4	179.5	-72.3	-101.7	0	0	0	109	E289 L292 K293 R302 V303 E489 T532	E289-Y329 WeakPolarHBondContact CA-OH 3.48Å; E289-Y329 WeakPolarHBondContact CB-OH 3.28Å; E289-Y329 VanDerWaalsContact CD-OH 3.28Å; E289-Y329 HydrophobicContact CG-CE1 4.35Å; E289-Y329 WeakPolarHBondContact CG-OH 3.38Å; L292-Y329 HydrophobicContact CB-CD2 3.27Å; L292-Y329 HydrophobicContact CB-CE2 3.64Å; L292-Y329 HydrophobicContact CB-CG 3.94Å; L292-Y329 HydrophobicContact CD1-CD2 3.56Å; L292-Y329 HydrophobicContact CD1-CE2 3.54Å; L292-Y329 HydrophobicContact CG-CD2 4.03Å; L292-Y329 HydrophobicContact CG-CE2 4.2Å; K293-Y329 HydrophobicContact CD-CD1 4.4Å; K293-Y329 HydrophobicContact CD-CE1 4.02Å; K293-Y329 HydrophobicContact CG-CD1 3.58Å; K293-Y329 HydrophobicContact CG-CE1 3.55Å; R302-Y329 WeakPolarHBondContact CA-O 3.47Å; V303-Y329 PolarHBondContact N-O 2.89Å; V303-Y329 VanDerWaalsContact N-O 3.11Å; V303-Y329 PolarHBondContact O-N 2.98Å; Y329-E489 HydrophobicContact CD1-CG 4.06Å; Y329-E489 VanDerWaalsContact CE1-CD 3.49Å; Y329-E489 HydrophobicContact CE1-CG 4.01Å; Y329-E489 WeakPolarHBondContact CE1-OE1 3.42Å; Y329-T532 HydrophobicContact CD1-CG2 4.25Å
330	M	98.9	Very high	98.5	Very high	29 Å²	29	34.6 Å²	34.6	14%	0.143	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.8	-173.8	-177.8	170	169.5	0	0	110.2	F251 R302 A333 M341 T532 A533	F251-M330 HydrophobicContact CE1-CB 4.17Å; F251-M330 HydrophobicContact CE2-SD 4.4Å; F251-M330 HydrophobicContact CZ-CB 3.96Å; F251-M330 HydrophobicContact CZ-CG 4.16Å; F251-M330 HydrophobicContact CZ-SD 3.89Å; R302-M330 HydrophobicContact CG-CG 4.24Å; M330-A333 HydrophobicContact CB-CB 4.1Å; M330-A333 HydrophobicContact CE-CB 4.3Å; M330-A333 HydrophobicContact CG-CB 3.78Å; M330-A333 PolarHBondContact O-N 2.87Å; M330-A333 HydrophobicContact SD-CB 4.06Å; M330-M341 HydrophobicContact SD-CE 4.38Å; M330-M341 HydrophobicContact SD-SD 3.75Å; M330-T532 WeakPolarHBondContact O-CA 3.46Å; M330-A533 PolarHBondContact N-O 2.93Å; M330-A533 PolarHBondContact O-N 3.31Å; M330-A533 VanDerWaalsContact O-N 3.11Å
331	A	98.8	Very high	98.6	Very high	3 Å²	3	35 Å²	35	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	146.8	171.8	0	0	0	0	0	110.7	V296 D301 A333 P530	V296-A331 HydrophobicContact CG1-CB 3.9Å; D301-A331 HydrophobicContact CB-CB 3.94Å; D301-A331 WeakPolarHBondContact O-CB 3.43Å; D301-A331 PolarHBondContact O-N 2.99Å; A331-A333 PolarHBondContact O-N 3.16Å; A331-P530 HydrophobicContact CB-CB 4.42Å
332	Y	98.6	Very high	98.6	Very high	158 Å²	158	33.9 Å²	33.9	62%	0.62	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	14.5	-178.4	-38.9	-74.4	0	0	0	115.2	P530 P531	Y332-P530 HydrophobicContact CE1-CB 4.06Å; Y332-P531 VanDerWaalsContact CA-O 3.29Å; Y332-P531 WeakPolarHBondContact CA-O 3.44Å; Y332-P531 PolarHBondContact N-O 2.98Å
333	A	98.8	Very high	98.7	Very high	6 Å²	6	31.7 Å²	31.7	5%	0.05	15%	0.146	C	C	.	.			trans	-102.7	155.5	171.1	0	0	0	0	0	111.3	M330 A331 D337 T532 A533	M330-A333 HydrophobicContact CB-CB 4.1Å; M330-A333 HydrophobicContact CE-CB 4.3Å; M330-A333 HydrophobicContact CG-CB 3.78Å; M330-A333 PolarHBondContact O-N 2.87Å; M330-A333 HydrophobicContact SD-CB 4.06Å; A331-A333 PolarHBondContact O-N 3.16Å; A333-D337 WeakPolarHBondContact CA-OD2 3.26Å; A333-D337 HydrophobicContact CB-CB 4.07Å; A333-T532 CarbonylContact O-C 3.51Å; A333-A533 HydrophobicContact CB-CB 4.13Å; A333-A533 WeakPolarHBondContact O-CB 3.29Å; A333-A533 PolarHBondContact O-N 3.49Å
334	D	98.7	Very high	98.6	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	16%	0.163	C	C	.	.			trans	-116.7	173.6	162.9	75.8	23.1	0	0	0	111.5	H336 D337 L338 R465 T488	D334-H336 PolarHBondContact O-N 2.97Å; D334-H336 VanDerWaalsContact O-N 3.11Å; D334-H336 WeakPolarHBondContact OD1-CA 3.39Å; D334-H336 VanDerWaalsContact OD1-CB 3.22Å; D334-H336 WeakPolarHBondContact OD1-CB 3.36Å; D334-H336 IonicContact OD1-CD2 3.18Å; D334-H336 IonicContact OD1-CG 3.73Å; D334-H336 PolarHBondContact OD1-N 2.93Å; D334-D337 PolarHBondContact N-OD2 3.37Å; D334-D337 WeakPolarHBondContact O-CB 3.45Å; D334-D337 PolarHBondContact O-N 3.11Å; D334-D337 PolarHBondContact OD1-N 2.71Å; D334-L338 PolarHBondContact O-N 3.11Å; D334-R465 IonicContact OD2-CZ 2.66Å; D334-R465 IonicContact OD2-NH1 3.07Å; D334-R465 PolarHBondContact OD2-NH1 3.36Å; D334-R465 VanDerWaalsContact OD2-NH1 3.13Å; D334-R465 IonicContact OD2-NH2 3.26Å; D334-R465 PolarHBondContact OD2-NH2 3.2Å; D334-T488 HydrophobicContact CB-CG2 4.41Å
335	Y	98.5	Very high	98.6	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-22.3	179.1	81	-44.2	0	0	0	114.9	L338 M339 E472 F474 T488	Y335-L338 PolarHBondContact O-N 3.38Å; Y335-M339 HydrophobicContact CD2-CE 3.53Å; Y335-M339 HydrophobicContact CE2-CE 3.58Å; Y335-M339 HydrophobicContact CG-CE 4.05Å; Y335-M339 WeakPolarHBondContact O-CG 3.4Å; Y335-M339 PolarHBondContact O-N 2.92Å; Y335-E472 WeakPolarHBondContact CB-O 3.41Å; Y335-E472 HydrophobicContact CD1-CB 3.74Å; Y335-E472 HydrophobicContact CD1-CG 4.31Å; Y335-E472 VanDerWaalsContact CD2-C 3.49Å; Y335-E472 HydrophobicContact CD2-CB 4.13Å; Y335-E472 HydrophobicContact CE1-CB 3.87Å; Y335-E472 HydrophobicContact CE1-CG 4Å; Y335-E472 HydrophobicContact CE2-CB 4.26Å; Y335-E472 HydrophobicContact CG-CB 3.91Å; Y335-F474 HydrophobicContact CD2-CD1 4.13Å; Y335-F474 VanDerWaalsContact O-CE1 3.3Å; Y335-F474 WeakPolarHBondContact O-CE1 3.4Å; Y335-T488 PolarHBondContact N-OG1 3.25Å; Y335-T488 VanDerWaalsContact N-OG1 3.13Å
336	H	98.4	Very high	98.6	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.407	16%	0.158	S	C	.	.	H	α-helix	trans	-72.2	-36.5	174.2	-64.2	-59.2	0	0	0	111.7	D334 L338 M339 K340	D334-H336 PolarHBondContact O-N 2.97Å; D334-H336 VanDerWaalsContact O-N 3.11Å; D334-H336 WeakPolarHBondContact OD1-CA 3.39Å; D334-H336 VanDerWaalsContact OD1-CB 3.22Å; D334-H336 WeakPolarHBondContact OD1-CB 3.36Å; D334-H336 IonicContact OD1-CD2 3.18Å; D334-H336 IonicContact OD1-CG 3.73Å; D334-H336 PolarHBondContact OD1-N 2.93Å; H336-L338 VanDerWaalsContact C-N 3.31Å; H336-M339 WeakPolarHBondContact ND1-CE 3.41Å; H336-M339 PolarHBondContact O-N 3.4Å; H336-K340 PolarHBondContact O-N 3.32Å; H336-K340 VanDerWaalsContact O-N 3.15Å
337	D	98.7	Very high	98.6	Very high	70 Å²	70	35 Å²	35	37%	0.374	16%	0.161	S	C	.	.	H	α-helix	trans	-62.2	-42.9	172.1	-62	-51.7	0	0	0	110.3	A333 D334 M339 K340 M341	A333-D337 WeakPolarHBondContact CA-OD2 3.26Å; A333-D337 HydrophobicContact CB-CB 4.07Å; D334-D337 PolarHBondContact N-OD2 3.37Å; D334-D337 WeakPolarHBondContact O-CB 3.45Å; D334-D337 PolarHBondContact O-N 3.11Å; D334-D337 PolarHBondContact OD1-N 2.71Å; D337-M339 PolarHBondContact O-N 3.48Å; D337-K340 WeakPolarHBondContact O-CB 3.29Å; D337-K340 PolarHBondContact O-N 2.89Å; D337-K340 VanDerWaalsContact O-N 3.11Å; D337-M341 WeakPolarHBondContact O-CG 3.34Å; D337-M341 PolarHBondContact O-N 3.12Å
338	L	98.7	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-38.3	177.8	-60.9	-169.4	0	0	0	113.2	F328 D334 Y335 H336 K340 M341 T342 F474 A486 A533 G534 Y535	F328-L338 HydrophobicContact CE2-CD2 3.49Å; F328-L338 VanDerWaalsContact CE2-CD2 3.49Å; F328-L338 HydrophobicContact CZ-CD2 3.83Å; D334-L338 PolarHBondContact O-N 3.11Å; Y335-L338 PolarHBondContact O-N 3.38Å; H336-L338 VanDerWaalsContact C-N 3.31Å; L338-K340 VanDerWaalsContact C-N 3.3Å; L338-K340 PolarHBondContact O-N 3.42Å; L338-M341 HydrophobicContact CD2-SD 4.25Å; L338-M341 PolarHBondContact O-N 3.42Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 3.19Å; L338-T342 PolarHBondContact O-OG1 2.97Å; L338-F474 HydrophobicContact CB-CE1 3.78Å; L338-F474 HydrophobicContact CB-CZ 3.94Å; L338-A486 HydrophobicContact CD1-CB 4.03Å; L338-A533 HydrophobicContact CD1-CB 3.42Å; L338-A533 VanDerWaalsContact CD1-CB 3.42Å; L338-A533 HydrophobicContact CD2-CB 4.12Å; L338-A533 HydrophobicContact CG-CB 3.65Å; L338-G534 WeakPolarHBondContact CD1-O 3.4Å; L338-Y535 HydrophobicContact CB-CD2 4.22Å; L338-Y535 HydrophobicContact CD1-CD2 4.25Å
339	M	98.7	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-43.6	171.1	-73.3	-179.9	-124.6	0	0	110.9	Y335 H336 D337 T342 E343 K381 F449 M451 F474	Y335-M339 HydrophobicContact CD2-CE 3.53Å; Y335-M339 HydrophobicContact CE2-CE 3.58Å; Y335-M339 HydrophobicContact CG-CE 4.05Å; Y335-M339 WeakPolarHBondContact O-CG 3.4Å; Y335-M339 PolarHBondContact O-N 2.92Å; H336-M339 WeakPolarHBondContact ND1-CE 3.41Å; H336-M339 PolarHBondContact O-N 3.4Å; D337-M339 PolarHBondContact O-N 3.48Å; M339-T342 WeakPolarHBondContact O-CB 3.17Å; M339-T342 PolarHBondContact O-N 3.03Å; M339-E343 WeakPolarHBondContact O-CG 3.22Å; M339-E343 PolarHBondContact O-N 3.35Å; M339-K381 HydrophobicContact SD-CD 4.22Å; M339-F449 HydrophobicContact CB-CE1 4.36Å; M339-F449 HydrophobicContact CB-CE2 4.05Å; M339-F449 HydrophobicContact CB-CZ 3.95Å; M339-F449 HydrophobicContact CG-CD1 4.14Å; M339-F449 HydrophobicContact CG-CD2 4.26Å; M339-F449 HydrophobicContact CG-CE1 4.07Å; M339-F449 HydrophobicContact CG-CE2 4.19Å; M339-F449 HydrophobicContact CG-CG 4.22Å; M339-F449 HydrophobicContact CG-CZ 4.1Å; M339-F449 HydrophobicContact SD-CD2 4.34Å; M339-F449 HydrophobicContact SD-CG 4.4Å; M339-M451 HydrophobicContact CE-CG 4.38Å; M339-M451 HydrophobicContact CE-SD 3.6Å; M339-M451 VanDerWaalsContact CE-SD 3.6Å; M339-M451 HydrophobicContact SD-SD 3.62Å; M339-M451 VanDerWaalsContact SD-SD 3.62Å; M339-F474 HydrophobicContact CE-CD1 4.02Å; M339-F474 HydrophobicContact CG-CD1 3.65Å; M339-F474 HydrophobicContact CG-CD2 4.46Å; M339-F474 HydrophobicContact CG-CE1 3.63Å; M339-F474 HydrophobicContact CG-CE2 4.43Å; M339-F474 HydrophobicContact CG-CG 4.07Å; M339-F474 HydrophobicContact CG-CZ 4.01Å
340	K	98.5	Very high	98.6	Very high	152 Å²	152	35.2 Å²	35.2	66%	0.661	17%	0.168	S	C	*	.	H	α-helix	trans	-65.7	-40.5	-179.4	-153	-179.5	-173.4	-177.5	0	111.8	H336 D337 L338 E343 E344	H336-K340 PolarHBondContact O-N 3.32Å; H336-K340 VanDerWaalsContact O-N 3.15Å; D337-K340 WeakPolarHBondContact O-CB 3.29Å; D337-K340 PolarHBondContact O-N 2.89Å; D337-K340 VanDerWaalsContact O-N 3.11Å; L338-K340 VanDerWaalsContact C-N 3.3Å; L338-K340 PolarHBondContact O-N 3.42Å; K340-E343 PolarHBondContact O-N 3.17Å; K340-E344 PolarHBondContact O-N 3.04Å
341	M	98.5	Very high	98.6	Very high	18 Å²	18	40.2 Å²	40.2	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-43	172.2	-70.1	177.8	65.7	0	0	111.3	Y245 F246 L249 F251 F328 M330 D337 L338 E343 E344 F345	Y245-M341 HydrophobicContact CE1-CE 4.44Å; F246-M341 HydrophobicContact CE1-CE 4.19Å; L249-M341 HydrophobicContact CD1-CE 3.83Å; F251-M341 HydrophobicContact CE2-CE 4.09Å; F251-M341 HydrophobicContact CZ-CE 4.08Å; F328-M341 HydrophobicContact CE2-CE 4.09Å; F328-M341 HydrophobicContact CE2-SD 4.45Å; F328-M341 HydrophobicContact CZ-CE 4.03Å; M330-M341 HydrophobicContact SD-CE 4.38Å; M330-M341 HydrophobicContact SD-SD 3.75Å; D337-M341 WeakPolarHBondContact O-CG 3.34Å; D337-M341 PolarHBondContact O-N 3.12Å; L338-M341 HydrophobicContact CD2-SD 4.25Å; L338-M341 PolarHBondContact O-N 3.42Å; M341-E343 VanDerWaalsContact C-N 3.33Å; M341-E343 PolarHBondContact O-N 3.1Å; M341-E344 WeakPolarHBondContact O-CA 3.47Å; M341-E344 WeakPolarHBondContact O-CB 3.39Å; M341-E344 PolarHBondContact O-N 2.99Å; M341-F345 WeakPolarHBondContact O-CD1 3.44Å; M341-F345 PolarHBondContact O-N 2.62Å
342	T	98.6	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-42.6	177	-57.6	0	0	0	0	112.1	L338 M339 E344 L346 F379 F449 L476 Y535	L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 3.19Å; L338-T342 PolarHBondContact O-OG1 2.97Å; M339-T342 WeakPolarHBondContact O-CB 3.17Å; M339-T342 PolarHBondContact O-N 3.03Å; T342-E344 PolarHBondContact O-N 3.13Å; T342-L346 HydrophobicContact CG2-CD1 3.61Å; T342-L346 HydrophobicContact CG2-CG 4.25Å; T342-L346 WeakPolarHBondContact O-CB 3.43Å; T342-L346 PolarHBondContact O-N 3.09Å; T342-F379 HydrophobicContact CG2-CE2 4.35Å; T342-F449 HydrophobicContact CG2-CE1 3.87Å; T342-F449 HydrophobicContact CG2-CZ 3.85Å; T342-L476 HydrophobicContact CG2-CD2 3.86Å; T342-Y535 WeakPolarHBondContact CG2-OH 3.44Å; T342-Y535 WeakPolarHBondContact OG1-CE2 3.41Å; T342-Y535 PolarHBondContact OG1-OH 3.17Å
343	E	98.7	Very high	98.5	Very high	29 Å²	29	38.9 Å²	38.9	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-9.8	173.7	-71.7	175.6	146.7	0	0	113.4	M339 K340 M341 P347 P377 P378 F379 F449	M339-E343 WeakPolarHBondContact O-CG 3.22Å; M339-E343 PolarHBondContact O-N 3.35Å; K340-E343 PolarHBondContact O-N 3.17Å; M341-E343 VanDerWaalsContact C-N 3.33Å; M341-E343 PolarHBondContact O-N 3.1Å; E343-P347 WeakPolarHBondContact O-CD 3.19Å; E343-P347 VanDerWaalsContact O-CG 3.28Å; E343-P347 WeakPolarHBondContact O-CG 3.18Å; E343-P377 HydrophobicContact CB-CB 4.12Å; E343-P377 HydrophobicContact CG-CB 4.39Å; E343-P378 WeakPolarHBondContact OE1-CA 3.2Å; E343-F379 HydrophobicContact CG-CB 4.36Å; E343-F379 HydrophobicContact CG-CD1 4.49Å; E343-F379 HydrophobicContact CG-CD2 3.85Å; E343-F379 HydrophobicContact CG-CE2 4.24Å; E343-F379 HydrophobicContact CG-CG 3.98Å; E343-F379 PolarHBondContact OE1-N 2.82Å; E343-F449 HydrophobicContact CG-CE2 3.84Å; E343-F449 HydrophobicContact CG-CZ 4.1Å
344	E	98	Very high	98.5	Very high	112 Å²	112	42.4 Å²	42.4	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-95.4	-58.5	174	-172.2	-171.1	171.1	0	0	111.5	Y245 K340 M341 T342 G348	Y245-E344 HydrophobicContact CE2-CG 4.16Å; Y245-E344 VanDerWaalsContact OH-CD 3.29Å; Y245-E344 PolarHBondContact OH-OE2 3.43Å; K340-E344 PolarHBondContact O-N 3.04Å; M341-E344 WeakPolarHBondContact O-CA 3.47Å; M341-E344 WeakPolarHBondContact O-CB 3.39Å; M341-E344 PolarHBondContact O-N 2.99Å; T342-E344 PolarHBondContact O-N 3.13Å; E344-G348 PolarHBondContact O-N 3.25Å; E344-G348 VanDerWaalsContact O-N 3.12Å
345	F	98	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-78.9	-31.5	-169.7	75.6	-105.4	0	0	0	113.8	Y241 L242 Y245 F246 M341 G348 L349 Y535 L537	Y241-F345 WeakPolarHBondContact CE1-O 3.38Å; L242-F345 HydrophobicContact CD2-CD2 3.89Å; L242-F345 HydrophobicContact CD2-CE2 3.98Å; Y245-F345 HydrophobicContact CD1-CB 3.73Å; Y245-F345 HydrophobicContact CD1-CD1 4.34Å; Y245-F345 HydrophobicContact CD1-CG 4.23Å; Y245-F345 HydrophobicContact CD2-CB 3.79Å; Y245-F345 HydrophobicContact CE1-CB 3.6Å; Y245-F345 AromaticContact CE1-CD1 3.8Å; Y245-F345 HydrophobicContact CE1-CD1 3.8Å; Y245-F345 HydrophobicContact CE1-CG 4.04Å; Y245-F345 HydrophobicContact CE2-CB 3.68Å; Y245-F345 HydrophobicContact CG-CB 3.82Å; F246-F345 HydrophobicContact CZ-CD1 4.43Å; F246-F345 HydrophobicContact CZ-CE1 4.29Å; M341-F345 WeakPolarHBondContact O-CD1 3.44Å; M341-F345 PolarHBondContact O-N 2.62Å; F345-G348 PolarHBondContact O-N 2.9Å; F345-L349 VanDerWaalsContact O-CB 3.28Å; F345-L349 WeakPolarHBondContact O-CB 3.42Å; F345-L349 PolarHBondContact O-N 2.82Å; F345-Y535 HydrophobicContact CE1-CE1 4.45Å; F345-Y535 AromaticContact CZ-CE1 3.92Å; F345-Y535 HydrophobicContact CZ-CE1 3.92Å; F345-Y535 AromaticContact CZ-CZ 3.81Å; F345-Y535 VanDerWaalsContact CZ-OH 3.29Å; F345-Y535 WeakPolarHBondContact CZ-OH 3.43Å; F345-L537 HydrophobicContact CE2-CD2 4.29Å
346	L	98.5	Very high	98.4	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-50.3	177.9	-73.7	-179.6	0	0	0	111.5	T342 G348 L349 V350 L476 L542	T342-L346 HydrophobicContact CG2-CD1 3.61Å; T342-L346 HydrophobicContact CG2-CG 4.25Å; T342-L346 WeakPolarHBondContact O-CB 3.43Å; T342-L346 PolarHBondContact O-N 3.09Å; L346-G348 VanDerWaalsContact C-N 3.25Å; L346-G348 PolarHBondContact O-N 3.46Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 3.25Å; L346-V350 WeakPolarHBondContact O-CG2 3.36Å; L346-V350 PolarHBondContact O-N 2.8Å; L346-L476 HydrophobicContact CD1-CD2 3.32Å; L346-L542 HydrophobicContact CD2-CD1 4.17Å; L346-L542 HydrophobicContact CD2-CD2 4.37Å
347	P	98.6	Very high	98.4	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-38.3	172.7	-27.3	39.9	0	0	0	112.1	E343 V350 K351 L357 F375 F379	E343-P347 WeakPolarHBondContact O-CD 3.19Å; E343-P347 VanDerWaalsContact O-CG 3.28Å; E343-P347 WeakPolarHBondContact O-CG 3.18Å; P347-V350 PolarHBondContact O-N 3.16Å; P347-K351 WeakPolarHBondContact O-CB 3.32Å; P347-K351 PolarHBondContact O-N 3.37Å; P347-L357 HydrophobicContact CB-CD2 3.8Å; P347-L357 WeakPolarHBondContact O-CD2 3.43Å; P347-F375 WeakPolarHBondContact CB-O 3.47Å; P347-F375 VanDerWaalsContact CG-O 3.23Å; P347-F375 WeakPolarHBondContact CG-O 3.33Å; P347-F379 HydrophobicContact CG-CE1 4.09Å; P347-F379 HydrophobicContact CG-CZ 3.77Å
348	G	98.6	Very high	98.4	Very high	22 Å²	22	46.3 Å²	46.3	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-44.2	174.2	0	0	0	0	0	113.2	Y241 E344 F345 L346 K351 Y352	Y241-G348 VanDerWaalsContact OH-CA 3.27Å; Y241-G348 WeakPolarHBondContact OH-CA 3.45Å; E344-G348 PolarHBondContact O-N 3.25Å; E344-G348 VanDerWaalsContact O-N 3.12Å; F345-G348 PolarHBondContact O-N 2.9Å; L346-G348 VanDerWaalsContact C-N 3.25Å; L346-G348 PolarHBondContact O-N 3.46Å; G348-K351 PolarHBondContact O-N 3.38Å; G348-Y352 VanDerWaalsContact O-CB 3.3Å; G348-Y352 WeakPolarHBondContact O-CB 3.46Å; G348-Y352 PolarHBondContact O-N 2.95Å
349	L	98.7	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-47.4	175.9	172.9	60.9	0	0	0	111.4	I238 Y241 F345 L346 K351 Y352 L353 L542 L546	I238-L349 HydrophobicContact CG1-CD1 4.23Å; I238-L349 HydrophobicContact CG1-CD2 4.4Å; I238-L349 HydrophobicContact CG2-CD2 4.07Å; Y241-L349 HydrophobicContact CD1-CB 3.75Å; Y241-L349 HydrophobicContact CD1-CD1 3.69Å; Y241-L349 HydrophobicContact CD1-CG 4.22Å; Y241-L349 HydrophobicContact CD2-CD1 4.32Å; Y241-L349 HydrophobicContact CE1-CB 3.62Å; Y241-L349 HydrophobicContact CE1-CD1 4.41Å; Y241-L349 HydrophobicContact CG-CB 4.38Å; Y241-L349 HydrophobicContact CG-CD1 3.65Å; Y241-L349 PolarHBondContact OH-N 2.68Å; F345-L349 VanDerWaalsContact O-CB 3.28Å; F345-L349 WeakPolarHBondContact O-CB 3.42Å; F345-L349 PolarHBondContact O-N 2.82Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 3.25Å; L349-K351 PolarHBondContact O-N 2.93Å; L349-Y352 HydrophobicContact CD1-CD1 4.37Å; L349-Y352 WeakPolarHBondContact O-CB 3.26Å; L349-Y352 PolarHBondContact O-N 3.18Å; L349-L353 HydrophobicContact CD1-CD1 3.8Å; L349-L353 HydrophobicContact CD1-CG 4.03Å; L349-L353 HydrophobicContact CG-CD1 4.15Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 3.33Å; L349-L542 HydrophobicContact CD2-CD2 3.82Å; L349-L542 HydrophobicContact CD2-CG 4.5Å; L349-L546 HydrophobicContact CD2-CD1 3.75Å; L349-L546 HydrophobicContact CG-CD1 4.12Å
350	V	98.7	Very high	98.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-45.8	179.2	178.3	0	0	0	0	110.1	L346 P347 Y352 L353 F354 T356 I359 F375 L546	L346-V350 WeakPolarHBondContact O-CG2 3.36Å; L346-V350 PolarHBondContact O-N 2.8Å; P347-V350 PolarHBondContact O-N 3.16Å; V350-Y352 VanDerWaalsContact C-N 3.33Å; V350-Y352 PolarHBondContact O-N 2.97Å; V350-L353 PolarHBondContact O-N 3.05Å; V350-F354 HydrophobicContact CG1-CD2 4.02Å; V350-F354 WeakPolarHBondContact O-CD2 3.46Å; V350-F354 PolarHBondContact O-N 2.87Å; V350-T356 CarbonylContact C-O 3.55Å; V350-T356 WeakPolarHBondContact CG1-O 3.19Å; V350-I359 HydrophobicContact CG1-CG2 3.74Å; V350-F375 HydrophobicContact CB-CG 4.46Å; V350-F375 HydrophobicContact CG1-CD2 4.17Å; V350-F375 HydrophobicContact CG1-CG 4.5Å; V350-F375 HydrophobicContact CG2-CB 4.44Å; V350-F375 HydrophobicContact CG2-CD1 3.87Å; V350-F375 HydrophobicContact CG2-CD2 3.91Å; V350-F375 HydrophobicContact CG2-CE1 3.95Å; V350-F375 HydrophobicContact CG2-CE2 4.01Å; V350-F375 HydrophobicContact CG2-CG 3.82Å; V350-F375 HydrophobicContact CG2-CZ 4Å; V350-L546 HydrophobicContact CG2-CD2 3.89Å
351	K	98.5	Very high	98.3	Very high	133 Å²	133	46.6 Å²	46.6	58%	0.578	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-40.3	175.2	-169.7	173.6	-177.6	177	0	112.4	P347 G348 L349 G355 T356 L357	P347-K351 WeakPolarHBondContact O-CB 3.32Å; P347-K351 PolarHBondContact O-N 3.37Å; G348-K351 PolarHBondContact O-N 3.38Å; L349-K351 PolarHBondContact O-N 2.93Å; K351-G355 WeakPolarHBondContact O-CA 3.34Å; K351-G355 PolarHBondContact O-N 2.85Å; K351-T356 WeakPolarHBondContact CA-O 3.49Å; K351-T356 PolarHBondContact N-O 3.29Å; K351-L357 HydrophobicContact CB-CD2 3.95Å
352	Y	98.4	Very high	98.2	Very high	124 Å²	124	47.4 Å²	47.4	49%	0.486	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-42.1	175.9	165	-108.6	0	0	0	112.2	Q237 Y241 G348 L349 V350	Q237-Y352 HydrophobicContact CB-CE1 4.24Å; Y241-Y352 AromaticContact CD2-CD1 3.64Å; Y241-Y352 HydrophobicContact CD2-CD1 3.64Å; Y241-Y352 HydrophobicContact CD2-CD2 4.5Å; Y241-Y352 HydrophobicContact CD2-CE1 4.29Å; Y241-Y352 AromaticContact CD2-CG 3.76Å; Y241-Y352 HydrophobicContact CD2-CG 3.76Å; Y241-Y352 HydrophobicContact CE2-CD1 4.42Å; Y241-Y352 HydrophobicContact CE2-CG 4.16Å; Y241-Y352 HydrophobicContact CG-CD1 4.26Å; G348-Y352 VanDerWaalsContact O-CB 3.3Å; G348-Y352 WeakPolarHBondContact O-CB 3.46Å; G348-Y352 PolarHBondContact O-N 2.95Å; L349-Y352 HydrophobicContact CD1-CD1 4.37Å; L349-Y352 WeakPolarHBondContact O-CB 3.26Å; L349-Y352 PolarHBondContact O-N 3.18Å; V350-Y352 VanDerWaalsContact C-N 3.33Å; V350-Y352 PolarHBondContact O-N 2.97Å
353	L	98	Very high	98	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-80	-35.2	-176.1	-66.9	175.8	0	0	0	113.9	R234 Q237 I238 L349 V350 L546	R234-L353 PolarHBondContact NH1-O 2.79Å; R234-L353 VanDerWaalsContact NH1-O 3.11Å; R234-L353 PolarHBondContact NH2-O 3.18Å; Q237-L353 HydrophobicContact CB-CD2 3.79Å; I238-L353 HydrophobicContact CD1-CD1 4.5Å; I238-L353 HydrophobicContact CG1-CD1 3.87Å; L349-L353 HydrophobicContact CD1-CD1 3.8Å; L349-L353 HydrophobicContact CD1-CG 4.03Å; L349-L353 HydrophobicContact CG-CD1 4.15Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 3.33Å; V350-L353 PolarHBondContact O-N 3.05Å; L353-L546 HydrophobicContact CD1-CB 4.44Å; L353-L546 HydrophobicContact CD1-CD1 3.85Å
354	F	97.9	Very high	97.6	Very high	81 Å²	81	55 Å²	55	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-121.9	-12	-168.3	-58.1	-75	0	0	0	114.8	V350 T356 I359 L546	V350-F354 HydrophobicContact CG1-CD2 4.02Å; V350-F354 WeakPolarHBondContact O-CD2 3.46Å; V350-F354 PolarHBondContact O-N 2.87Å; F354-T356 HydrophobicContact CB-CG2 3.9Å; F354-T356 PolarHBondContact O-N 2.84Å; F354-I359 HydrophobicContact CD2-CG2 3.77Å; F354-I359 HydrophobicContact CE2-CG2 4.05Å; F354-I359 HydrophobicContact CG-CG2 4.13Å; F354-L546 HydrophobicContact CE2-CB 4.35Å; F354-L546 HydrophobicContact CE2-CD2 4.08Å; F354-L546 HydrophobicContact CZ-CB 4.45Å; F354-L546 WeakPolarHBondContact CZ-O 3.44Å
355	G	98.1	Very high	97.2	Very high	64 Å²	64	50.3 Å²	50.3	66%	0.66	27%	0.265	S	S	*	.	S	Bend	trans	73.6	2.9	-175.3	0	0	0	0	0	114.8	K351	K351-G355 WeakPolarHBondContact O-CA 3.34Å; K351-G355 PolarHBondContact O-N 2.85Å
356	T	98.4	Very high	96.7	Very high	64 Å²	64	55 Å²	55	39%	0.393	30%	0.296	S	S	.	.	S	Bend	trans	-137.7	166.3	-178.5	178.4	0	0	0	0	109.7	V350 K351 F354 K358	V350-T356 CarbonylContact C-O 3.55Å; V350-T356 WeakPolarHBondContact CG1-O 3.19Å; K351-T356 WeakPolarHBondContact CA-O 3.49Å; K351-T356 PolarHBondContact N-O 3.29Å; F354-T356 HydrophobicContact CB-CG2 3.9Å; F354-T356 PolarHBondContact O-N 2.84Å; T356-K358 WeakPolarHBondContact CG2-O 3.48Å; T356-K358 PolarHBondContact OG1-N 3.02Å
357	L	98.4	Very high	96.3	Very high	44 Å²	44	63 Å²	63	23%	0.23	34%	0.338	C	S	.	.	S	Bend	trans	-99.1	-1.7	171.5	-62.6	-177.2	0	0	0	112.9	P347 K351 F375	P347-L357 HydrophobicContact CB-CD2 3.8Å; P347-L357 WeakPolarHBondContact O-CD2 3.43Å; K351-L357 HydrophobicContact CB-CD2 3.95Å; L357-F375 WeakPolarHBondContact O-CB 3.4Å; L357-F375 PolarHBondContact O-N 2.93Å
358	K	98.4	Very high	96	Very high	108 Å²	108	64.1 Å²	64.1	47%	0.47	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.9	-178.6	-60.8	-175.3	-174.8	-145.5	0	109.5	T356 V372 I373 D374	T356-K358 WeakPolarHBondContact CG2-O 3.48Å; T356-K358 PolarHBondContact OG1-N 3.02Å; K358-V372 HydrophobicContact CB-CG1 4.01Å; K358-V372 HydrophobicContact CD-CG1 4.42Å; K358-V372 HydrophobicContact CG-CG1 4.47Å; K358-I373 WeakPolarHBondContact CA-O 3.01Å; K358-D374 WeakPolarHBondContact CE-OD2 3.16Å; K358-D374 HydrophobicContact CG-CB 4.39Å; K358-D374 IonicContact NZ-OD2 2.85Å; K358-D374 PolarHBondContact NZ-OD2 2.7Å
359	I	97.9	Very high	95.8	Very high	14 Å²	14	71.2 Å²	71.2	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.4	177.3	66.9	175.3	0	0	0	110.2	V350 F354 V372 I373 F375 L545 L546	V350-I359 HydrophobicContact CG1-CG2 3.74Å; F354-I359 HydrophobicContact CD2-CG2 3.77Å; F354-I359 HydrophobicContact CE2-CG2 4.05Å; F354-I359 HydrophobicContact CG-CG2 4.13Å; I359-V372 CarbonylContact O-C 3.59Å; I359-V372 WeakPolarHBondContact O-CA 3.48Å; I359-I373 HydrophobicContact CG1-CB 3.91Å; I359-I373 HydrophobicContact CG1-CG1 4.44Å; I359-I373 PolarHBondContact N-O 3.49Å; I359-I373 PolarHBondContact O-N 2.88Å; I359-F375 HydrophobicContact CD1-CE2 3.65Å; I359-F375 HydrophobicContact CD1-CZ 4.33Å; I359-F375 HydrophobicContact CG1-CD2 4.48Å; I359-F375 HydrophobicContact CG1-CE2 3.91Å; I359-L545 HydrophobicContact CD1-CG 4.32Å; I359-L546 HydrophobicContact CD1-CD2 3.98Å
360	E	97.3	Very high	95.7	Very high	133 Å²	133	73.2 Å²	73.2	62%	0.621	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.3	170.7	-69.1	-179.3	169	0	0	109.5	P370 V371	E360-P370 HydrophobicContact CB-CB 4.09Å; E360-V371 WeakPolarHBondContact CA-O 3.28Å
361	Y	97.6	Very high	95.6	Very high	11 Å²	11	75.5 Å²	75.5	4%	0.043	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.2	177.7	-175.3	-111.3	0	0	0	111.5	I363 P370 V371 A479 L545 D548 R549 N550	Y361-I363 HydrophobicContact CD1-CG1 3.65Å; Y361-I363 HydrophobicContact CE1-CG1 3.96Å; Y361-I363 PolarHBondContact O-N 3.25Å; Y361-P370 WeakPolarHBondContact O-CA 3.46Å; Y361-V371 PolarHBondContact N-O 3.44Å; Y361-V371 WeakPolarHBondContact O-CG2 3.37Å; Y361-V371 PolarHBondContact O-N 3.41Å; Y361-A479 HydrophobicContact CD1-CB 3.59Å; Y361-A479 HydrophobicContact CE1-CB 3.63Å; Y361-L545 HydrophobicContact CD1-CD1 4.13Å; Y361-L545 HydrophobicContact CD2-CD1 3.94Å; Y361-L545 HydrophobicContact CE1-CD1 4.4Å; Y361-L545 HydrophobicContact CE2-CD1 4.23Å; Y361-L545 HydrophobicContact CG-CD1 3.9Å; Y361-D548 WeakPolarHBondContact CA-OD1 3.38Å; Y361-D548 HydrophobicContact CD2-CB 4.42Å; Y361-D548 WeakPolarHBondContact CD2-OD1 3.35Å; Y361-R549 PolarHBondContact OH-O 3.26Å; Y361-R549 VanDerWaalsContact OH-O 3.05Å; Y361-N550 VanDerWaalsContact CZ-OD1 3.29Å; Y361-N550 PolarHBondContact OH-OD1 3.03Å
362	H	97.4	Very high	95.6	Very high	35 Å²	35	73.1 Å²	73.1	16%	0.162	40%	0.399	C	S	.	.			trans	-95.4	75.2	-177.5	-67.9	89.7	0	0	0	112.2	N364 G365 A368 D548 N550	H362-N364 PolarHBondContact O-N 3.46Å; H362-N364 VanDerWaalsContact O-N 3.07Å; H362-G365 WeakPolarHBondContact CB-O 3.38Å; H362-G365 PolarHBondContact O-N 2.99Å; H362-A368 PolarHBondContact CD2-O 2.97Å; H362-A368 VanDerWaalsContact CD2-O 3.25Å; H362-D548 IonicContact CE1-OD2 3.68Å; H362-D548 PolarHBondContact CE1-OD2 2.91Å; H362-D548 IonicContact CG-OD1 3.7Å; H362-D548 IonicContact CG-OD2 3.73Å; H362-D548 PolarHBondContact N-OD1 2.84Å; H362-D548 IonicContact ND1-OD1 2.87Å; H362-D548 PolarHBondContact ND1-OD1 3.11Å; H362-D548 IonicContact ND1-OD2 2.92Å; H362-D548 PolarHBondContact ND1-OD2 3.15Å; H362-N550 PolarHBondContact O-ND2 3.49Å; H362-N550 PolarHBondContact O-OD1 2.83Å
363	I	93.3	Very high	95.6	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.236	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-43.9	-177.6	-61.5	179.7	0	0	0	112.8	Y361 V371 V445 A479	Y361-I363 HydrophobicContact CD1-CG1 3.65Å; Y361-I363 HydrophobicContact CE1-CG1 3.96Å; Y361-I363 PolarHBondContact O-N 3.25Å; I363-V371 HydrophobicContact CD1-CG1 4.43Å; I363-V371 HydrophobicContact CD1-CG2 3.59Å; I363-V371 HydrophobicContact CG1-CG2 3.84Å; I363-V445 HydrophobicContact CD1-CG1 4.42Å; I363-A479 HydrophobicContact CD1-CB 4Å; I363-A479 HydrophobicContact CG1-CB 3.96Å
364	N	91.1	Very high	95.6	Very high	142 Å²	142	68.7 Å²	68.7	76%	0.759	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	18.2	-173.3	-63.9	-40.1	0	0	0	114.2	H362 A368	H362-N364 PolarHBondContact O-N 3.46Å; H362-N364 VanDerWaalsContact O-N 3.07Å; N364-A368 HydrophobicContact CB-CB 3.81Å
365	G	89.4	Confident	95.6	Very high	14 Å²	14	64.8 Å²	64.8	14%	0.144	37%	0.367	C	S	.	.			trans	102.1	159.8	-178.5	0	0	0	0	0	113.7	H362 D367 A368 N550	H362-G365 WeakPolarHBondContact CB-O 3.38Å; H362-G365 PolarHBondContact O-N 2.99Å; G365-D367 PolarHBondContact O-N 2.82Å; G365-D367 VanDerWaalsContact O-N 3.1Å; G365-A368 WeakPolarHBondContact O-CB 3.23Å; G365-A368 PolarHBondContact O-N 3.22Å; G365-N550 WeakPolarHBondContact CA-ND2 3.45Å; G365-N550 PolarHBondContact N-ND2 2.97Å; G365-N550 VanDerWaalsContact N-ND2 3.12Å
366	P	86.9	Confident	95.6	Very high	100 Å²	100	65.1 Å²	65.1	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.3	-171.8	27.6	-36.7	0	0	0	114.7
367	D	90.3	Very high	95.6	Very high	168 Å²	168	64.8 Å²	64.8	90%	0.898	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.8	177.7	-58.9	-50.4	0	0	0	112.8	G365	G365-D367 PolarHBondContact O-N 2.82Å; G365-D367 VanDerWaalsContact O-N 3.1Å
368	A	93.3	Very high	95.6	Very high	34 Å²	34	67.9 Å²	67.9	28%	0.281	38%	0.377	S	S	.	.	S	Bend	trans	-86.2	170.3	176.2	0	0	0	0	0	111.5	H362 N364 G365	H362-A368 PolarHBondContact CD2-O 2.97Å; H362-A368 VanDerWaalsContact CD2-O 3.25Å; N364-A368 HydrophobicContact CB-CB 3.81Å; G365-A368 WeakPolarHBondContact O-CB 3.23Å; G365-A368 PolarHBondContact O-N 3.22Å
369	Q	94.1	Very high	95.6	Very high	171 Å²	171	63.2 Å²	63.2	80%	0.799	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-71.2	134.6	171.2	-70.4	-63.4	-36.2	0	0	110.1
370	P	96.2	Very high	95.6	Very high	42 Å²	42	69.1 Å²	69.1	27%	0.273	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-68.3	153.3	173.3	28.3	-32.5	0	0	0	110.5	E360 Y361	E360-P370 HydrophobicContact CB-CB 4.09Å; Y361-P370 WeakPolarHBondContact O-CA 3.46Å
371	V	96.5	Very high	95.7	Very high	49 Å²	49	67.7 Å²	67.7	30%	0.297	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.2	164.4	-61.1	0	0	0	0	109.4	E360 Y361 I363 I373 V445	E360-V371 WeakPolarHBondContact CA-O 3.28Å; Y361-V371 PolarHBondContact N-O 3.44Å; Y361-V371 WeakPolarHBondContact O-CG2 3.37Å; Y361-V371 PolarHBondContact O-N 3.41Å; I363-V371 HydrophobicContact CD1-CG1 4.43Å; I363-V371 HydrophobicContact CD1-CG2 3.59Å; I363-V371 HydrophobicContact CG1-CG2 3.84Å; V371-I373 HydrophobicContact CG2-CD1 3.67Å; V371-I373 HydrophobicContact CG2-CG1 4.43Å; V371-V445 HydrophobicContact CB-CG1 4.41Å; V371-V445 HydrophobicContact CG2-CG1 4.1Å
372	V	97.9	Very high	95.7	Very high	83 Å²	83	67.9 Å²	67.9	50%	0.503	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.3	171.6	179	0	0	0	0	108.4	K358 I359 N446	K358-V372 HydrophobicContact CB-CG1 4.01Å; K358-V372 HydrophobicContact CD-CG1 4.42Å; K358-V372 HydrophobicContact CG-CG1 4.47Å; I359-V372 CarbonylContact O-C 3.59Å; I359-V372 WeakPolarHBondContact O-CA 3.48Å; V372-N446 PolarHBondContact O-OD1 3.22Å
373	I	98.3	Very high	95.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.2	171.7	-49.1	-62.2	0	0	0	108	K358 I359 V371 F375 V445 N446 I478 A479	K358-I373 WeakPolarHBondContact CA-O 3.01Å; I359-I373 HydrophobicContact CG1-CB 3.91Å; I359-I373 HydrophobicContact CG1-CG1 4.44Å; I359-I373 PolarHBondContact N-O 3.49Å; I359-I373 PolarHBondContact O-N 2.88Å; V371-I373 HydrophobicContact CG2-CD1 3.67Å; V371-I373 HydrophobicContact CG2-CG1 4.43Å; I373-F375 HydrophobicContact CB-CE2 4.16Å; I373-F375 HydrophobicContact CG2-CD2 3.98Å; I373-F375 HydrophobicContact CG2-CE2 3.46Å; I373-F375 VanDerWaalsContact CG2-CE2 3.46Å; I373-F375 HydrophobicContact CG2-CZ 4.07Å; I373-V445 HydrophobicContact CD1-CG1 3.92Å; I373-V445 WeakPolarHBondContact CD1-O 3.15Å; I373-N446 WeakPolarHBondContact CA-OD1 3.26Å; I373-I478 HydrophobicContact CG2-CG2 3.53Å; I373-A479 HydrophobicContact CD1-CB 4.16Å
374	D	98.4	Very high	95.9	Very high	39 Å²	39	65.6 Å²	65.6	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.4	-178.3	-163.6	-15.1	0	0	0	110.8	K358 T376 N446 P447	K358-D374 WeakPolarHBondContact CE-OD2 3.16Å; K358-D374 HydrophobicContact CG-CB 4.39Å; K358-D374 IonicContact NZ-OD2 2.85Å; K358-D374 PolarHBondContact NZ-OD2 2.7Å; D374-T376 VanDerWaalsContact C-N 3.27Å; D374-T376 PolarHBondContact O-N 2.83Å; D374-T376 WeakPolarHBondContact OD1-CB 3.4Å; D374-T376 PolarHBondContact OD1-N 3.36Å; D374-T376 PolarHBondContact OD1-OG1 2.9Å; D374-N446 PolarHBondContact N-OD1 3.35Å; D374-P447 WeakPolarHBondContact O-CD 3.12Å
375	F	98.6	Very high	96.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.33	C	S	.	.			trans	-88.7	18.6	175.9	-70.6	-100	0	0	0	112.8	P347 V350 L357 I359 I373 P377 F379 P447 I478 L545	P347-F375 WeakPolarHBondContact CB-O 3.47Å; P347-F375 VanDerWaalsContact CG-O 3.23Å; P347-F375 WeakPolarHBondContact CG-O 3.33Å; V350-F375 HydrophobicContact CB-CG 4.46Å; V350-F375 HydrophobicContact CG1-CD2 4.17Å; V350-F375 HydrophobicContact CG1-CG 4.5Å; V350-F375 HydrophobicContact CG2-CB 4.44Å; V350-F375 HydrophobicContact CG2-CD1 3.87Å; V350-F375 HydrophobicContact CG2-CD2 3.91Å; V350-F375 HydrophobicContact CG2-CE1 3.95Å; V350-F375 HydrophobicContact CG2-CE2 4.01Å; V350-F375 HydrophobicContact CG2-CG 3.82Å; V350-F375 HydrophobicContact CG2-CZ 4Å; L357-F375 WeakPolarHBondContact O-CB 3.4Å; L357-F375 PolarHBondContact O-N 2.93Å; I359-F375 HydrophobicContact CD1-CE2 3.65Å; I359-F375 HydrophobicContact CD1-CZ 4.33Å; I359-F375 HydrophobicContact CG1-CD2 4.48Å; I359-F375 HydrophobicContact CG1-CE2 3.91Å; I373-F375 HydrophobicContact CB-CE2 4.16Å; I373-F375 HydrophobicContact CG2-CD2 3.98Å; I373-F375 HydrophobicContact CG2-CE2 3.46Å; I373-F375 VanDerWaalsContact CG2-CE2 3.46Å; I373-F375 HydrophobicContact CG2-CZ 4.07Å; F375-P377 VanDerWaalsContact O-CD 3.28Å; F375-P377 WeakPolarHBondContact O-CD 3.43Å; F375-F379 HydrophobicContact CD1-CZ 4.25Å; F375-P447 HydrophobicContact CD1-CG 3.75Å; F375-P447 HydrophobicContact CE1-CG 3.93Å; F375-P447 HydrophobicContact CG-CG 4.15Å; F375-P447 HydrophobicContact CZ-CG 4.45Å; F375-I478 HydrophobicContact CE1-CD1 3.83Å; F375-I478 HydrophobicContact CZ-CD1 4.11Å; F375-I478 HydrophobicContact CZ-CG2 4.43Å; F375-L545 HydrophobicContact CZ-CD2 3.76Å
376	T	98.4	Very high	96.4	Very high	70 Å²	70	63 Å²	63	43%	0.429	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.6	119.4	174.4	-52.8	0	0	0	0	109.7	D374	D374-T376 VanDerWaalsContact C-N 3.27Å; D374-T376 PolarHBondContact O-N 2.83Å; D374-T376 WeakPolarHBondContact OD1-CB 3.4Å; D374-T376 PolarHBondContact OD1-N 3.36Å; D374-T376 PolarHBondContact OD1-OG1 2.9Å
377	P	97.9	Very high	96.9	Very high	57 Å²	57	58.9 Å²	58.9	37%	0.37	32%	0.317	S	S	.	.	S	Bend	trans	-72.7	158.9	176	30.1	-34.5	0	0	0	111.8	E343 F375	E343-P377 HydrophobicContact CB-CB 4.12Å; E343-P377 HydrophobicContact CG-CB 4.39Å; F375-P377 VanDerWaalsContact O-CD 3.28Å; F375-P377 WeakPolarHBondContact O-CD 3.43Å
378	P	98.1	Very high	97.2	Very high	109 Å²	109	51 Å²	51	71%	0.708	28%	0.275	S	S	*	.	S	Bend	cis	-75.9	147.3	-0.9	31.8	-35	0	0	0	112.5	E343	E343-P378 WeakPolarHBondContact OE1-CA 3.2Å
379	F	98.6	Very high	97.4	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.044	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-73.2	152.6	173.7	-64.2	-13.1	0	0	0	110.4	T342 E343 P347 F375 K381 P447 F449 L476	T342-F379 HydrophobicContact CG2-CE2 4.35Å; E343-F379 HydrophobicContact CG-CB 4.36Å; E343-F379 HydrophobicContact CG-CD1 4.49Å; E343-F379 HydrophobicContact CG-CD2 3.85Å; E343-F379 HydrophobicContact CG-CE2 4.24Å; E343-F379 HydrophobicContact CG-CG 3.98Å; E343-F379 PolarHBondContact OE1-N 2.82Å; P347-F379 HydrophobicContact CG-CE1 4.09Å; P347-F379 HydrophobicContact CG-CZ 3.77Å; F375-F379 HydrophobicContact CD1-CZ 4.25Å; F379-K381 PolarHBondContact O-N 3.36Å; F379-P447 HydrophobicContact CB-CB 4.36Å; F379-P447 WeakPolarHBondContact CB-O 3.28Å; F379-P447 HydrophobicContact CD1-CB 3.77Å; F379-P447 HydrophobicContact CD1-CG 4.39Å; F379-P447 HydrophobicContact CD2-CB 3.63Å; F379-P447 HydrophobicContact CE1-CB 3.88Å; F379-P447 HydrophobicContact CE1-CG 4.13Å; F379-P447 HydrophobicContact CE2-CB 3.74Å; F379-P447 HydrophobicContact CE2-CG 4.49Å; F379-P447 HydrophobicContact CG-CB 3.66Å; F379-P447 HydrophobicContact CZ-CB 3.87Å; F379-P447 HydrophobicContact CZ-CG 4.18Å; F379-F449 HydrophobicContact CB-CD2 3.89Å; F379-F449 HydrophobicContact CB-CE2 3.68Å; F379-F449 AromaticContact CD2-CE2 3.78Å; F379-F449 HydrophobicContact CD2-CE2 3.78Å; F379-F449 AromaticContact CD2-CZ 3.8Å; F379-F449 HydrophobicContact CD2-CZ 3.8Å; F379-F449 HydrophobicContact CG-CE2 4.19Å; F379-L476 HydrophobicContact CD2-CD1 3.92Å; F379-L476 HydrophobicContact CE2-CD1 4.41Å
380	R	98.3	Very high	97.5	Very high	139 Å²	139	52 Å²	52	53%	0.525	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	136.9	178.5	-178.5	-176.7	174.2	-174.9	-3.4	108.9	V382 P447 T448 F449	R380-V382 HydrophobicContact CG-CG2 4.05Å; R380-P447 PolarHBondContact N-O 3.12Å; R380-T448 HydrophobicContact CB-CG2 3.99Å; R380-T448 HydrophobicContact CG-CG2 3.99Å; R380-T448 CarbonylContact O-C 3.57Å; R380-T448 VanDerWaalsContact O-CA 3.31Å; R380-T448 WeakPolarHBondContact O-CA 3.06Å; R380-F449 PolarHBondContact O-N 2.99Å
381	K	98.5	Very high	97.5	Very high	102 Å²	102	53.9 Å²	53.9	44%	0.443	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.5	177.1	-69.2	171.7	-173.7	173.1	0	109.1	M339 F379 F449 M451	M339-K381 HydrophobicContact SD-CD 4.22Å; F379-K381 PolarHBondContact O-N 3.36Å; K381-F449 HydrophobicContact CG-CB 4.19Å; K381-F449 HydrophobicContact CG-CD2 3.91Å; K381-M451 HydrophobicContact CB-CE 3.85Å; K381-M451 HydrophobicContact CB-SD 3.94Å; K381-M451 HydrophobicContact CD-SD 4.24Å; K381-M451 HydrophobicContact CG-SD 4.01Å
382	V	98.1	Very high	97.5	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.097	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.1	-176.6	178.8	0	0	0	0	108.1	R380 V384 C387 T448 F449 L450 M451	R380-V382 HydrophobicContact CG-CG2 4.05Å; V382-V384 PolarHBondContact O-N 2.93Å; V382-C387 HydrophobicContact CG1-CB 3.45Å; V382-C387 VanDerWaalsContact CG1-CB 3.45Å; V382-T448 HydrophobicContact CG2-CG2 3.8Å; V382-F449 PolarHBondContact N-O 3.22Å; V382-L450 HydrophobicContact CB-CD2 3.87Å; V382-L450 HydrophobicContact CG1-CD2 4.2Å; V382-L450 HydrophobicContact CG2-CD2 4.48Å; V382-L450 CarbonylContact O-C 3.49Å; V382-L450 WeakPolarHBondContact O-CA 3.03Å; V382-M451 PolarHBondContact O-N 3.5Å
383	S	97.4	Very high	97.4	Very high	30 Å²	30	51.1 Å²	51.1	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.9	167.4	-174.8	0	0	0	0	108.3	Y385 C387 D452	S383-Y385 VanDerWaalsContact C-N 3.3Å; S383-Y385 PolarHBondContact O-N 3.29Å; S383-C387 VanDerWaalsContact O-CB 3.24Å; S383-C387 WeakPolarHBondContact O-CB 3.43Å; S383-C387 PolarHBondContact O-N 2.71Å; S383-D452 WeakPolarHBondContact CB-OD2 3.03Å; S383-D452 PolarHBondContact OG-OD2 3.18Å
384	V	97.4	Very high	97.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-41.9	-172.9	172.9	0	0	0	0	110.9	V382 C387 L388 I436 I440 L450 M451	V382-V384 PolarHBondContact O-N 2.93Å; V384-C387 PolarHBondContact O-N 3.06Å; V384-L388 VanDerWaalsContact O-CB 3.28Å; V384-L388 WeakPolarHBondContact O-CB 3.1Å; V384-L388 PolarHBondContact O-N 3.03Å; V384-I436 HydrophobicContact CG1-CD1 3.44Å; V384-I436 VanDerWaalsContact CG1-CD1 3.44Å; V384-I436 HydrophobicContact CG1-CG1 3.56Å; V384-I436 HydrophobicContact CG1-CG2 4.21Å; V384-I440 HydrophobicContact CG1-CD1 4.21Å; V384-L450 HydrophobicContact CG2-CB 3.61Å; V384-L450 HydrophobicContact CG2-CG 4.45Å; V384-M451 WeakPolarHBondContact CB-O 3.15Å; V384-M451 WeakPolarHBondContact CG2-O 3.41Å; V384-M451 PolarHBondContact N-O 2.91Å
385	Y	95.1	Very high	97.2	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-45	-176.2	-150.3	-106	0	0	0	112.8	S383 L388 K389 L396 P397 P399 L402 P454 L470	S383-Y385 VanDerWaalsContact C-N 3.3Å; S383-Y385 PolarHBondContact O-N 3.29Å; Y385-L388 PolarHBondContact O-N 3.2Å; Y385-K389 WeakPolarHBondContact O-CB 3.45Å; Y385-K389 PolarHBondContact O-N 3.24Å; Y385-K389 VanDerWaalsContact O-N 3.08Å; Y385-L396 HydrophobicContact CD1-CD1 3.92Å; Y385-L396 HydrophobicContact CD2-CD1 4.11Å; Y385-L396 HydrophobicContact CE1-CB 3.75Å; Y385-L396 HydrophobicContact CE1-CD1 3.72Å; Y385-L396 HydrophobicContact CE1-CG 4.35Å; Y385-L396 HydrophobicContact CE2-CD1 3.92Å; Y385-L396 HydrophobicContact CG-CD1 4.11Å; Y385-L396 WeakPolarHBondContact O-CD1 3.41Å; Y385-P397 PolarHBondContact OH-O 3.38Å; Y385-P399 HydrophobicContact CD1-CG 3.93Å; Y385-P399 HydrophobicContact CE1-CG 3.64Å; Y385-L402 HydrophobicContact CE2-CD1 4.04Å; Y385-P454 HydrophobicContact CD2-CG 3.79Å; Y385-P454 HydrophobicContact CE2-CG 4.07Å; Y385-L470 HydrophobicContact CD2-CD2 4.26Å; Y385-L470 HydrophobicContact CG-CD2 4.15Å
386	E	95.9	Very high	97.1	Very high	91 Å²	91	58.7 Å²	58.7	43%	0.425	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-37.4	175.7	-68.7	-57.2	131.2	0	0	111.7	L388 K389 E390	E386-L388 PolarHBondContact O-N 3.08Å; E386-K389 WeakPolarHBondContact O-CB 3.3Å; E386-K389 PolarHBondContact O-N 2.97Å; E386-K389 IonicContact OE2-NZ 3.45Å; E386-K389 PolarHBondContact OE2-NZ 3.3Å; E386-K389 VanDerWaalsContact OE2-NZ 3.1Å; E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å
387	C	97.2	Very high	97	Very high	15 Å²	15	56.5 Å²	56.5	10%	0.101	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-40.6	175.9	-171.9	0	0	0	0	111.8	V382 S383 V384 K389 E390 K391 I440	V382-C387 HydrophobicContact CG1-CB 3.45Å; V382-C387 VanDerWaalsContact CG1-CB 3.45Å; S383-C387 VanDerWaalsContact O-CB 3.24Å; S383-C387 WeakPolarHBondContact O-CB 3.43Å; S383-C387 PolarHBondContact O-N 2.71Å; V384-C387 PolarHBondContact O-N 3.06Å; C387-K389 VanDerWaalsContact C-N 3.34Å; C387-K389 PolarHBondContact O-N 3.03Å; C387-E390 PolarHBondContact O-N 3.21Å; C387-K391 WeakPolarHBondContact O-CB 3.41Å; C387-K391 VanDerWaalsContact O-CG 3.25Å; C387-K391 WeakPolarHBondContact O-CG 3.35Å; C387-K391 PolarHBondContact O-N 3.28Å; C387-I440 HydrophobicContact CB-CD1 4.07Å
388	L	97	Very high	96.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-41.2	176.6	-174.9	60.2	0	0	0	111.5	V384 Y385 E386 E390 K391 L392 L396 F411 L432 L435 L439 I440	V384-L388 VanDerWaalsContact O-CB 3.28Å; V384-L388 WeakPolarHBondContact O-CB 3.1Å; V384-L388 PolarHBondContact O-N 3.03Å; Y385-L388 PolarHBondContact O-N 3.2Å; E386-L388 PolarHBondContact O-N 3.08Å; L388-E390 PolarHBondContact O-N 3.35Å; L388-K391 PolarHBondContact O-N 3.26Å; L388-L392 HydrophobicContact CD1-CD1 3.76Å; L388-L392 HydrophobicContact CD1-CG 3.91Å; L388-L392 HydrophobicContact CD2-CD1 4.43Å; L388-L392 HydrophobicContact CG-CD1 3.76Å; L388-L392 HydrophobicContact CG-CG 4.29Å; L388-L392 WeakPolarHBondContact O-CB 3.48Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 2.83Å; L388-L396 HydrophobicContact CB-CD1 4.23Å; L388-L396 HydrophobicContact CD2-CD1 4.34Å; L388-L396 HydrophobicContact CG-CD1 4.31Å; L388-F411 HydrophobicContact CD2-CE1 4.27Å; L388-L432 HydrophobicContact CD2-CD2 3.68Å; L388-L435 HydrophobicContact CD1-CB 4.02Å; L388-L439 HydrophobicContact CD1-CD1 4.12Å; L388-I440 HydrophobicContact CB-CD1 4.02Å
389	K	96.8	Very high	96.8	Very high	72 Å²	72	53.3 Å²	53.3	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-45.5	173.8	-180	-172.7	170.9	-173	0	111.9	Y385 E386 C387 G393 V394 L396	Y385-K389 WeakPolarHBondContact O-CB 3.45Å; Y385-K389 PolarHBondContact O-N 3.24Å; Y385-K389 VanDerWaalsContact O-N 3.08Å; E386-K389 WeakPolarHBondContact O-CB 3.3Å; E386-K389 PolarHBondContact O-N 2.97Å; E386-K389 IonicContact OE2-NZ 3.45Å; E386-K389 PolarHBondContact OE2-NZ 3.3Å; E386-K389 VanDerWaalsContact OE2-NZ 3.1Å; C387-K389 VanDerWaalsContact C-N 3.34Å; C387-K389 PolarHBondContact O-N 3.03Å; K389-G393 PolarHBondContact O-N 3.45Å; K389-V394 WeakPolarHBondContact CG-O 3.47Å; K389-L396 HydrophobicContact CB-CD1 3.91Å; K389-L396 HydrophobicContact CB-CG 3.88Å; K389-L396 HydrophobicContact CG-CG 4.37Å
390	E	96.8	Very high	96.6	Very high	154 Å²	154	59.6 Å²	59.6	72%	0.72	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-46.3	175.8	-71	176.7	179.9	0	0	112.1	E386 C387 L388 L392 G393	E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å; C387-E390 PolarHBondContact O-N 3.21Å; L388-E390 PolarHBondContact O-N 3.35Å; E390-L392 PolarHBondContact O-N 3.34Å; E390-G393 PolarHBondContact O-N 3.43Å
391	K	96.4	Very high	96.4	Very high	83 Å²	83	54.4 Å²	54.4	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-38.9	-178.6	-74.9	-76.9	-175.7	150.4	0	113.4	C387 L388 L439 D443	C387-K391 WeakPolarHBondContact O-CB 3.41Å; C387-K391 VanDerWaalsContact O-CG 3.25Å; C387-K391 WeakPolarHBondContact O-CG 3.35Å; C387-K391 PolarHBondContact O-N 3.28Å; L388-K391 PolarHBondContact O-N 3.26Å; K391-L439 HydrophobicContact CB-CB 4.37Å; K391-L439 WeakPolarHBondContact CD-O 3.21Å; K391-L439 WeakPolarHBondContact CE-O 3.35Å; K391-L439 PolarHBondContact NZ-O 3.02Å; K391-D443 WeakPolarHBondContact CE-OD2 3.49Å; K391-D443 IonicContact NZ-OD1 3.81Å; K391-D443 IonicContact NZ-OD2 2.79Å; K391-D443 PolarHBondContact NZ-OD2 3.08Å
392	L	96.4	Very high	96.3	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-81.5	-20.2	178.4	-63.8	175.5	0	0	0	112.6	L388 E390 V394 L396 Q414 H418 L435 L439	L388-L392 HydrophobicContact CD1-CD1 3.76Å; L388-L392 HydrophobicContact CD1-CG 3.91Å; L388-L392 HydrophobicContact CD2-CD1 4.43Å; L388-L392 HydrophobicContact CG-CD1 3.76Å; L388-L392 HydrophobicContact CG-CG 4.29Å; L388-L392 WeakPolarHBondContact O-CB 3.48Å; L388-L392 VanDerWaalsContact O-CG 3.28Å; L388-L392 WeakPolarHBondContact O-CG 3.48Å; L388-L392 PolarHBondContact O-N 2.83Å; E390-L392 PolarHBondContact O-N 3.34Å; L392-V394 VanDerWaalsContact C-N 3.27Å; L392-V394 HydrophobicContact CB-CG2 3.73Å; L392-V394 PolarHBondContact O-N 2.98Å; L392-L396 HydrophobicContact CD1-CD2 3.87Å; L392-Q414 HydrophobicContact CD1-CB 4.41Å; L392-Q414 HydrophobicContact CD1-CG 4.1Å; L392-Q414 HydrophobicContact CD2-CB 4.44Å; L392-H418 WeakPolarHBondContact CD2-NE2 3.39Å; L392-L435 HydrophobicContact CD2-CD2 4.37Å; L392-L439 HydrophobicContact CD2-CD1 3.49Å; L392-L439 VanDerWaalsContact CD2-CD1 3.49Å; L392-L439 HydrophobicContact CG-CD1 4.24Å
393	G	96.3	Very high	95.9	Very high	66 Å²	66	55 Å²	55	68%	0.68	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	28.7	-178.5	0	0	0	0	0	113.3	K389 E390	K389-G393 PolarHBondContact O-N 3.45Å; E390-G393 PolarHBondContact O-N 3.43Å
394	V	95.7	Very high	95.7	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.261	31%	0.307	S	S	.	.	S	Bend	trans	-137.2	157.4	-177.7	-61.5	0	0	0	0	110.4	K389 L392 L396 F410	K389-V394 WeakPolarHBondContact CG-O 3.47Å; L392-V394 VanDerWaalsContact C-N 3.27Å; L392-V394 HydrophobicContact CB-CG2 3.73Å; L392-V394 PolarHBondContact O-N 2.98Å; V394-L396 HydrophobicContact CG2-CD2 4.37Å; V394-L396 PolarHBondContact O-N 3.11Å; V394-F410 HydrophobicContact CG2-CE2 4.5Å; V394-F410 HydrophobicContact CG2-CZ 3.75Å
395	N	95.9	Very high	95.6	Very high	133 Å²	133	61.1 Å²	61.1	71%	0.711	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-74.3	126.6	168.6	-69.4	-43.3	0	0	0	109.4
396	L	96.5	Very high	95.6	Very high	22 Å²	22	67.7 Å²	67.7	12%	0.115	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-77.5	154.7	173.5	-53.9	-176.6	0	0	0	110.4	Y385 L388 K389 L392 V394 F410 F411	Y385-L396 HydrophobicContact CD1-CD1 3.92Å; Y385-L396 HydrophobicContact CD2-CD1 4.11Å; Y385-L396 HydrophobicContact CE1-CB 3.75Å; Y385-L396 HydrophobicContact CE1-CD1 3.72Å; Y385-L396 HydrophobicContact CE1-CG 4.35Å; Y385-L396 HydrophobicContact CE2-CD1 3.92Å; Y385-L396 HydrophobicContact CG-CD1 4.11Å; Y385-L396 WeakPolarHBondContact O-CD1 3.41Å; L388-L396 HydrophobicContact CB-CD1 4.23Å; L388-L396 HydrophobicContact CD2-CD1 4.34Å; L388-L396 HydrophobicContact CG-CD1 4.31Å; K389-L396 HydrophobicContact CB-CD1 3.91Å; K389-L396 HydrophobicContact CB-CG 3.88Å; K389-L396 HydrophobicContact CG-CG 4.37Å; L392-L396 HydrophobicContact CD1-CD2 3.87Å; V394-L396 HydrophobicContact CG2-CD2 4.37Å; V394-L396 PolarHBondContact O-N 3.11Å; L396-F410 HydrophobicContact CD2-CE1 3.85Å; L396-F410 HydrophobicContact CD2-CZ 4.15Å; L396-F411 HydrophobicContact CD2-CE1 4.24Å
397	P	96.4	Very high	95.7	Very high	24 Å²	24	63.4 Å²	63.4	16%	0.156	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-50.7	151.4	164.9	-25.3	34.1	0	0	0	111.2	Y385 L402 A407 F410 F411	Y385-P397 PolarHBondContact OH-O 3.38Å; P397-L402 HydrophobicContact CB-CD2 4.47Å; P397-A407 HydrophobicContact CB-CB 4.21Å; P397-A407 HydrophobicContact CG-CB 4.19Å; P397-F410 HydrophobicContact CG-CB 4.23Å; P397-F410 HydrophobicContact CG-CD1 3.84Å; P397-F410 HydrophobicContact CG-CE1 4.34Å; P397-F410 HydrophobicContact CG-CG 3.96Å; P397-F411 HydrophobicContact CG-CE2 4.24Å; P397-F411 HydrophobicContact CG-CZ 4.48Å
398	P	95.9	Very high	95.6	Very high	75 Å²	75	65.5 Å²	65.5	49%	0.487	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-55.6	138.4	170.4	-24.2	34.5	0	0	0	110.8	E400 A401	P398-E400 HydrophobicContact CB-CG 4.09Å; P398-E400 PolarHBondContact O-N 2.96Å; P398-A401 HydrophobicContact CB-CB 4.29Å; P398-A401 WeakPolarHBondContact O-CA 3.43Å; P398-A401 WeakPolarHBondContact O-CB 3.46Å; P398-A401 PolarHBondContact O-N 3.1Å
399	P	96	Very high	95.6	Very high	25 Å²	25	70.4 Å²	70.4	16%	0.162	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.3	-177.2	-24	30.9	0	0	0	114.1	Y385 A401 L402 P468 L470	Y385-P399 HydrophobicContact CD1-CG 3.93Å; Y385-P399 HydrophobicContact CE1-CG 3.64Å; P399-A401 PolarHBondContact O-N 3.14Å; P399-L402 HydrophobicContact CB-CD1 4.38Å; P399-L402 WeakPolarHBondContact O-CB 3.48Å; P399-L402 WeakPolarHBondContact O-CD1 3.34Å; P399-L402 WeakPolarHBondContact O-CG 3.35Å; P399-L402 PolarHBondContact O-N 3.11Å; P399-P468 WeakPolarHBondContact CB-O 3.39Å; P399-L470 HydrophobicContact CB-CD2 3.6Å; P399-L470 HydrophobicContact CB-CG 3.98Å; P399-L470 HydrophobicContact CG-CD2 3.83Å; P399-L470 HydrophobicContact CG-CG 4.02Å
400	E	94.1	Very high	95.7	Very high	142 Å²	142	69.3 Å²	69.3	66%	0.664	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-65.2	-17.3	174.4	61.6	-169.7	-168.7	0	0	114.3	P398	P398-E400 HydrophobicContact CB-CG 4.09Å; P398-E400 PolarHBondContact O-N 2.96Å
401	A	95.3	Very high	95.7	Very high	30 Å²	30	62 Å²	62	25%	0.248	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-97.8	5.4	179.8	0	0	0	0	0	113.5	P398 P399 Q403 T404 A407	P398-A401 HydrophobicContact CB-CB 4.29Å; P398-A401 WeakPolarHBondContact O-CA 3.43Å; P398-A401 WeakPolarHBondContact O-CB 3.46Å; P398-A401 PolarHBondContact O-N 3.1Å; P399-A401 PolarHBondContact O-N 3.14Å; A401-Q403 PolarHBondContact O-N 2.94Å; A401-T404 WeakPolarHBondContact O-CB 3.48Å; A401-T404 WeakPolarHBondContact O-CG2 3.45Å; A401-T404 PolarHBondContact O-N 3.43Å; A401-T404 VanDerWaalsContact O-N 3.12Å; A401-T404 PolarHBondContact O-OG1 3.15Å; A401-A407 WeakPolarHBondContact O-CB 3.48Å
402	L	95	Very high	95.8	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.9	-174.3	-71.2	177.1	0	0	0	115.1	Y385 P397 P399 T404 A407 F411 T428 L432 P454 I456	Y385-L402 HydrophobicContact CE2-CD1 4.04Å; P397-L402 HydrophobicContact CB-CD2 4.47Å; P399-L402 HydrophobicContact CB-CD1 4.38Å; P399-L402 WeakPolarHBondContact O-CB 3.48Å; P399-L402 WeakPolarHBondContact O-CD1 3.34Å; P399-L402 WeakPolarHBondContact O-CG 3.35Å; P399-L402 PolarHBondContact O-N 3.11Å; L402-T404 PolarHBondContact O-N 3.37Å; L402-A407 HydrophobicContact CD2-CB 4.31Å; L402-F411 HydrophobicContact CD2-CD2 4.43Å; L402-F411 HydrophobicContact CD2-CE2 3.34Å; L402-F411 HydrophobicContact CD2-CZ 3.8Å; L402-T428 HydrophobicContact CB-CG2 4.36Å; L402-T428 HydrophobicContact CD2-CG2 4.28Å; L402-T428 WeakPolarHBondContact O-CG2 3.33Å; L402-T428 PolarHBondContact O-OG1 2.92Å; L402-L432 HydrophobicContact CD1-CD1 4.36Å; L402-P454 HydrophobicContact CD1-CB 3.55Å; L402-P454 HydrophobicContact CD1-CG 3.97Å; L402-I456 HydrophobicContact CB-CG2 4.4Å; L402-I456 HydrophobicContact CD1-CG2 4.5Å
403	Q	89.6	Confident	95.9	Very high	125 Å²	125	62.1 Å²	62.1	58%	0.584	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.4	174.7	-65.4	-76.3	1.9	0	0	113.2	A401 I456	A401-Q403 PolarHBondContact O-N 2.94Å; Q403-I456 HydrophobicContact CG-CD1 4.46Å
404	T	94.2	Very high	96	Very high	55 Å²	55	59.8 Å²	59.8	34%	0.337	31%	0.305	S	S	.	.	S	Bend	trans	-77.9	150.3	-176	63.6	0	0	0	0	112.3	A401 L402 E406 A407 R408	A401-T404 WeakPolarHBondContact O-CB 3.48Å; A401-T404 WeakPolarHBondContact O-CG2 3.45Å; A401-T404 PolarHBondContact O-N 3.43Å; A401-T404 VanDerWaalsContact O-N 3.12Å; A401-T404 PolarHBondContact O-OG1 3.15Å; L402-T404 PolarHBondContact O-N 3.37Å; T404-E406 WeakPolarHBondContact CB-OE2 3.48Å; T404-E406 PolarHBondContact O-N 3.11Å; T404-A407 PolarHBondContact O-N 2.95Å; T404-A407 WeakPolarHBondContact OG1-CB 3.46Å; T404-A407 PolarHBondContact OG1-N 2.87Å; T404-R408 PolarHBondContact O-N 3.05Å
405	E	94.7	Very high	96	Very high	107 Å²	107	57.8 Å²	57.8	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-30	175	178.9	55.8	-155.2	0	0	111.1	R408 K409	E405-R408 VanDerWaalsContact CD-NE 3.25Å; E405-R408 PolarHBondContact O-N 3.22Å; E405-R408 IonicContact OE1-CZ 3.44Å; E405-R408 VanDerWaalsContact OE1-CZ 3.23Å; E405-R408 IonicContact OE1-NE 3.13Å; E405-R408 PolarHBondContact OE1-NE 3.06Å; E405-R408 IonicContact OE1-NH2 2.71Å; E405-R408 PolarHBondContact OE1-NH2 3.3Å; E405-R408 WeakPolarHBondContact OE2-CD 3.3Å; E405-R408 IonicContact OE2-CZ 3.95Å; E405-R408 IonicContact OE2-NE 3.77Å; E405-R408 PolarHBondContact OE2-NE 3.29Å; E405-K409 VanDerWaalsContact O-CB 3.31Å; E405-K409 WeakPolarHBondContact O-CB 3.35Å; E405-K409 PolarHBondContact O-N 2.99Å
406	E	96.5	Very high	96	Very high	148 Å²	148	57.2 Å²	57.2	69%	0.692	29%	0.289	S	S	*	.	H	α-helix	trans	-60.3	-45	172.2	-65.6	75.9	-168.7	0	0	111.6	T404 F410	T404-E406 WeakPolarHBondContact CB-OE2 3.48Å; T404-E406 PolarHBondContact O-N 3.11Å; E406-F410 WeakPolarHBondContact O-CB 3.37Å; E406-F410 PolarHBondContact O-N 3.05Å
407	A	96.6	Very high	96.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-44.6	175	0	0	0	0	0	111.4	P397 A401 L402 T404 K409 F410 F411	P397-A407 HydrophobicContact CB-CB 4.21Å; P397-A407 HydrophobicContact CG-CB 4.19Å; A401-A407 WeakPolarHBondContact O-CB 3.48Å; L402-A407 HydrophobicContact CD2-CB 4.31Å; T404-A407 PolarHBondContact O-N 2.95Å; T404-A407 WeakPolarHBondContact OG1-CB 3.46Å; T404-A407 PolarHBondContact OG1-N 2.87Å; A407-K409 VanDerWaalsContact C-N 3.34Å; A407-K409 PolarHBondContact O-N 3.13Å; A407-F410 WeakPolarHBondContact O-CB 3.43Å; A407-F410 PolarHBondContact O-N 3.09Å; A407-F410 VanDerWaalsContact O-N 3.16Å; A407-F411 WeakPolarHBondContact O-CD2 3.46Å; A407-F411 PolarHBondContact O-N 3.3Å; A407-F411 VanDerWaalsContact O-N 3.14Å
408	R	96	Very high	96.1	Very high	58 Å²	58	64.1 Å²	64.1	22%	0.219	32%	0.317	C	S	.	.	H	α-helix	trans	-55.8	-49.6	176.3	-166.4	-155.4	68.2	68.7	6.8	111.1	T404 E405 F410 F411 D412 R426 T428 L431	T404-R408 PolarHBondContact O-N 3.05Å; E405-R408 VanDerWaalsContact CD-NE 3.25Å; E405-R408 PolarHBondContact O-N 3.22Å; E405-R408 IonicContact OE1-CZ 3.44Å; E405-R408 VanDerWaalsContact OE1-CZ 3.23Å; E405-R408 IonicContact OE1-NE 3.13Å; E405-R408 PolarHBondContact OE1-NE 3.06Å; E405-R408 IonicContact OE1-NH2 2.71Å; E405-R408 PolarHBondContact OE1-NH2 3.3Å; E405-R408 WeakPolarHBondContact OE2-CD 3.3Å; E405-R408 IonicContact OE2-CZ 3.95Å; E405-R408 IonicContact OE2-NE 3.77Å; E405-R408 PolarHBondContact OE2-NE 3.29Å; R408-F410 VanDerWaalsContact C-N 3.33Å; R408-F410 PolarHBondContact O-N 3.36Å; R408-F411 PolarHBondContact O-N 3.06Å; R408-D412 IonicContact CZ-OD2 2.66Å; R408-D412 IonicContact NH1-OD2 2.75Å; R408-D412 PolarHBondContact NH1-OD2 3.06Å; R408-D412 WeakPolarHBondContact O-CB 3.31Å; R408-D412 PolarHBondContact O-N 3.44Å; R408-R426 WeakPolarHBondContact CD-O 3.49Å; R408-R426 PolarHBondContact NH1-O 3.38Å; R408-T428 WeakPolarHBondContact CA-OG1 3.37Å; R408-T428 WeakPolarHBondContact CB-OG1 3.48Å; R408-L431 HydrophobicContact CG-CD1 4.23Å; R408-L431 WeakPolarHBondContact O-CD1 3.16Å
409	K	97.5	Very high	96.1	Very high	105 Å²	105	67.5 Å²	67.5	46%	0.457	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-40.5	177.6	179.3	169	171.9	44.1	0	112.1	E405 A407 F411 D412 D413	E405-K409 VanDerWaalsContact O-CB 3.31Å; E405-K409 WeakPolarHBondContact O-CB 3.35Å; E405-K409 PolarHBondContact O-N 2.99Å; A407-K409 VanDerWaalsContact C-N 3.34Å; A407-K409 PolarHBondContact O-N 3.13Å; K409-F411 PolarHBondContact O-N 3.08Å; K409-D412 WeakPolarHBondContact O-CB 3.36Å; K409-D412 PolarHBondContact O-N 2.98Å; K409-D413 IonicContact NZ-OD1 3.57Å; K409-D413 PolarHBondContact NZ-OD1 3.31Å; K409-D413 VanDerWaalsContact NZ-OD1 3.13Å; K409-D413 IonicContact NZ-OD2 2.75Å; K409-D413 PolarHBondContact NZ-OD2 3.27Å; K409-D413 VanDerWaalsContact NZ-OD2 3.11Å; K409-D413 WeakPolarHBondContact O-CB 3.43Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.32Å
410	F	98.1	Very high	96.1	Very high	48 Å²	48	66.7 Å²	66.7	21%	0.211	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-50.5	176.4	173.2	-87.4	0	0	0	111.7	V394 L396 P397 E406 A407 R408 D412 D413 Q414	V394-F410 HydrophobicContact CG2-CE2 4.5Å; V394-F410 HydrophobicContact CG2-CZ 3.75Å; L396-F410 HydrophobicContact CD2-CE1 3.85Å; L396-F410 HydrophobicContact CD2-CZ 4.15Å; P397-F410 HydrophobicContact CG-CB 4.23Å; P397-F410 HydrophobicContact CG-CD1 3.84Å; P397-F410 HydrophobicContact CG-CE1 4.34Å; P397-F410 HydrophobicContact CG-CG 3.96Å; E406-F410 WeakPolarHBondContact O-CB 3.37Å; E406-F410 PolarHBondContact O-N 3.05Å; A407-F410 WeakPolarHBondContact O-CB 3.43Å; A407-F410 PolarHBondContact O-N 3.09Å; A407-F410 VanDerWaalsContact O-N 3.16Å; R408-F410 VanDerWaalsContact C-N 3.33Å; R408-F410 PolarHBondContact O-N 3.36Å; F410-D412 VanDerWaalsContact C-N 3.33Å; F410-D412 PolarHBondContact O-N 2.89Å; F410-D413 PolarHBondContact O-N 3.46Å; F410-Q414 HydrophobicContact CD1-CG 4.23Å; F410-Q414 HydrophobicContact CE1-CG 3.82Å; F410-Q414 HydrophobicContact CZ-CG 4.08Å; F410-Q414 WeakPolarHBondContact O-CG 3.35Å; F410-Q414 PolarHBondContact O-N 3.03Å
411	F	97.9	Very high	96.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-31.2	179.3	-67.2	-71.6	0	0	0	112.7	L388 L396 P397 L402 A407 R408 K409 Q414 C415 T428 L431 L432 L435	L388-F411 HydrophobicContact CD2-CE1 4.27Å; L396-F411 HydrophobicContact CD2-CE1 4.24Å; P397-F411 HydrophobicContact CG-CE2 4.24Å; P397-F411 HydrophobicContact CG-CZ 4.48Å; L402-F411 HydrophobicContact CD2-CD2 4.43Å; L402-F411 HydrophobicContact CD2-CE2 3.34Å; L402-F411 HydrophobicContact CD2-CZ 3.8Å; A407-F411 WeakPolarHBondContact O-CD2 3.46Å; A407-F411 PolarHBondContact O-N 3.3Å; A407-F411 VanDerWaalsContact O-N 3.14Å; R408-F411 PolarHBondContact O-N 3.06Å; K409-F411 PolarHBondContact O-N 3.08Å; F411-Q414 PolarHBondContact O-N 2.98Å; F411-C415 PolarHBondContact O-N 2.67Å; F411-C415 PolarHBondContact O-SG 2.92Å; F411-T428 HydrophobicContact CD2-CG2 3.85Å; F411-T428 HydrophobicContact CE2-CG2 4.17Å; F411-L431 HydrophobicContact CB-CB 3.86Å; F411-L431 HydrophobicContact CB-CD1 4.2Å; F411-L432 HydrophobicContact CD1-CD2 3.72Å; F411-L432 HydrophobicContact CD1-CG 4.28Å; F411-L432 HydrophobicContact CD2-CG 4.44Å; F411-L432 HydrophobicContact CE1-CD2 3.37Å; F411-L432 HydrophobicContact CE1-CG 4.27Å; F411-L432 HydrophobicContact CE2-CD2 4.26Å; F411-L432 HydrophobicContact CE2-CG 4.48Å; F411-L432 HydrophobicContact CG-CD2 4.28Å; F411-L432 HydrophobicContact CG-CG 4.37Å; F411-L432 HydrophobicContact CZ-CD2 3.68Å; F411-L432 HydrophobicContact CZ-CG 4.37Å; F411-L435 HydrophobicContact CB-CD1 4.26Å; F411-L435 HydrophobicContact CD1-CD1 3.73Å; F411-L435 HydrophobicContact CG-CD1 4.46Å
412	D	97.6	Very high	96.1	Very high	24 Å²	24	66.4 Å²	66.4	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-48.7	172.9	-158.3	-38.5	0	0	0	110.7	R408 K409 F410 Q414 C415 L416 R426 L431	R408-D412 IonicContact CZ-OD2 2.66Å; R408-D412 IonicContact NH1-OD2 2.75Å; R408-D412 PolarHBondContact NH1-OD2 3.06Å; R408-D412 WeakPolarHBondContact O-CB 3.31Å; R408-D412 PolarHBondContact O-N 3.44Å; K409-D412 WeakPolarHBondContact O-CB 3.36Å; K409-D412 PolarHBondContact O-N 2.98Å; F410-D412 VanDerWaalsContact C-N 3.33Å; F410-D412 PolarHBondContact O-N 2.89Å; D412-Q414 VanDerWaalsContact C-N 3.33Å; D412-Q414 PolarHBondContact O-N 2.86Å; D412-C415 WeakPolarHBondContact O-CB 3.45Å; D412-C415 PolarHBondContact O-N 3.46Å; D412-L416 WeakPolarHBondContact O-CG 3.23Å; D412-L416 PolarHBondContact O-N 2.87Å; D412-L416 VanDerWaalsContact O-N 3.09Å; D412-R426 VanDerWaalsContact CG-NE 3.25Å; D412-R426 IonicContact OD1-CZ 3.31Å; D412-R426 IonicContact OD1-NE 2.74Å; D412-R426 PolarHBondContact OD1-NE 3.23Å; D412-R426 IonicContact OD1-NH2 3.11Å; D412-R426 PolarHBondContact OD1-NH2 3.36Å; D412-R426 IonicContact OD2-CZ 3.46Å; D412-R426 IonicContact OD2-NE 3.81Å; D412-R426 PolarHBondContact OD2-NE 3.12Å; D412-R426 IonicContact OD2-NH2 2.72Å; D412-L431 HydrophobicContact CB-CD1 3.93Å; D412-L431 HydrophobicContact CB-CD2 4.48Å
413	D	97.9	Very high	95.9	Very high	69 Å²	69	69.8 Å²	69.8	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-35.2	176.6	-64.9	-20.3	0	0	0	111.3	K409 F410 K417	K409-D413 IonicContact NZ-OD1 3.57Å; K409-D413 PolarHBondContact NZ-OD1 3.31Å; K409-D413 VanDerWaalsContact NZ-OD1 3.13Å; K409-D413 IonicContact NZ-OD2 2.75Å; K409-D413 PolarHBondContact NZ-OD2 3.27Å; K409-D413 VanDerWaalsContact NZ-OD2 3.11Å; K409-D413 WeakPolarHBondContact O-CB 3.43Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.32Å; F410-D413 PolarHBondContact O-N 3.46Å; D413-K417 WeakPolarHBondContact O-CB 3.1Å; D413-K417 PolarHBondContact O-N 2.96Å
414	Q	97.9	Very high	95.8	Very high	18 Å²	18	69 Å²	69	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-67	-42.9	173.2	-66.2	-48.5	-54.9	0	0	112.4	L392 F410 F411 D412 L416 K417 H418 L435	L392-Q414 HydrophobicContact CD1-CB 4.41Å; L392-Q414 HydrophobicContact CD1-CG 4.1Å; L392-Q414 HydrophobicContact CD2-CB 4.44Å; F410-Q414 HydrophobicContact CD1-CG 4.23Å; F410-Q414 HydrophobicContact CE1-CG 3.82Å; F410-Q414 HydrophobicContact CZ-CG 4.08Å; F410-Q414 WeakPolarHBondContact O-CG 3.35Å; F410-Q414 PolarHBondContact O-N 3.03Å; F411-Q414 PolarHBondContact O-N 2.98Å; D412-Q414 VanDerWaalsContact C-N 3.33Å; D412-Q414 PolarHBondContact O-N 2.86Å; Q414-L416 VanDerWaalsContact C-N 3.31Å; Q414-L416 PolarHBondContact O-N 3.2Å; Q414-K417 PolarHBondContact O-N 3Å; Q414-H418 WeakPolarHBondContact O-CB 3.4Å; Q414-H418 PolarHBondContact O-CD2 3.38Å; Q414-H418 VanDerWaalsContact O-CD2 3.31Å; Q414-H418 PolarHBondContact O-N 3.14Å; Q414-L435 HydrophobicContact CB-CD1 4.18Å; Q414-L435 HydrophobicContact CB-CD2 4.39Å
415	C	97.6	Very high	95.6	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57	-46.7	174.7	-76.3	0	0	0	0	111.1	F411 D412 K417 H418 D419 V420 L431	F411-C415 PolarHBondContact O-N 2.67Å; F411-C415 PolarHBondContact O-SG 2.92Å; D412-C415 WeakPolarHBondContact O-CB 3.45Å; D412-C415 PolarHBondContact O-N 3.46Å; C415-K417 PolarHBondContact O-N 2.91Å; C415-H418 PolarHBondContact O-N 2.72Å; C415-D419 PolarHBondContact O-N 3.2Å; C415-V420 HydrophobicContact CB-CB 4.23Å; C415-V420 WeakPolarHBondContact CB-O 3.22Å; C415-V420 PolarHBondContact O-N 3.3Å; C415-L431 HydrophobicContact CB-CD2 4.25Å; C415-L431 VanDerWaalsContact SG-CD2 3.58Å
416	L	96	Very high	95.4	Very high	121 Å²	121	66.6 Å²	66.6	63%	0.634	34%	0.335	S	S	*	.	H	α-helix	trans	-62.2	-41.4	177.5	-68.4	172.3	0	0	0	112.5	D412 Q414 H418	D412-L416 WeakPolarHBondContact O-CG 3.23Å; D412-L416 PolarHBondContact O-N 2.87Å; D412-L416 VanDerWaalsContact O-N 3.09Å; Q414-L416 VanDerWaalsContact C-N 3.31Å; Q414-L416 PolarHBondContact O-N 3.2Å; L416-H418 VanDerWaalsContact C-N 3.31Å; L416-H418 PolarHBondContact O-N 3.4Å
417	K	96.9	Very high	95.1	Very high	131 Å²	131	61.7 Å²	61.7	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-33.4	179.5	-178.5	-173.9	169.9	-154.8	0	112.7	D413 Q414 C415	D413-K417 WeakPolarHBondContact O-CB 3.1Å; D413-K417 PolarHBondContact O-N 2.96Å; Q414-K417 PolarHBondContact O-N 3Å; C415-K417 PolarHBondContact O-N 2.91Å
418	H	96.2	Very high	95	Very high	60 Å²	60	62 Å²	62	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.9	-176.4	-73.6	-94	0	0	0	113.8	L392 Q414 C415 L416 V420	L392-H418 WeakPolarHBondContact CD2-NE2 3.39Å; Q414-H418 WeakPolarHBondContact O-CB 3.4Å; Q414-H418 PolarHBondContact O-CD2 3.38Å; Q414-H418 VanDerWaalsContact O-CD2 3.31Å; Q414-H418 PolarHBondContact O-N 3.14Å; C415-H418 PolarHBondContact O-N 2.72Å; L416-H418 VanDerWaalsContact C-N 3.31Å; L416-H418 PolarHBondContact O-N 3.4Å; H418-V420 HydrophobicContact CB-CG2 4.02Å; H418-V420 PolarHBondContact O-N 3.01Å
419	D	96.1	Very high	94.8	Very high	146 Å²	146	60.4 Å²	60.4	78%	0.781	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	35.8	-178.5	-155.7	32.5	0	0	0	113.3	C415	C415-D419 PolarHBondContact O-N 3.2Å
420	V	96.9	Very high	94.5	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.048	31%	0.305	C	S	.	.			trans	-94	115.2	178.8	174.7	0	0	0	0	109.2	C415 H418 K434 L435 D438	C415-V420 HydrophobicContact CB-CB 4.23Å; C415-V420 WeakPolarHBondContact CB-O 3.22Å; C415-V420 PolarHBondContact O-N 3.3Å; H418-V420 HydrophobicContact CB-CG2 4.02Å; H418-V420 PolarHBondContact O-N 3.01Å; V420-K434 HydrophobicContact CG1-CB 3.6Å; V420-L435 HydrophobicContact CB-CD2 4.38Å; V420-L435 HydrophobicContact CG2-CD2 4.12Å; V420-D438 HydrophobicContact CG1-CB 4.44Å; V420-D438 HydrophobicContact CG2-CB 3.82Å
421	E	95.3	Very high	94.4	Very high	159 Å²	159	56.1 Å²	56.1	74%	0.743	30%	0.295	S	S	*	.			trans	-75.8	131.9	179.3	-67.4	-168.2	168.3	0	0	111.5	K434	E421-K434 WeakPolarHBondContact O-CD 3.44Å
422	C	93.6	Very high	94.4	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.054	30%	0.295	C	S	.	.			trans	-137.8	102.5	172.6	-178.3	0	0	0	0	109.8	R426 L431 K434	C422-R426 WeakPolarHBondContact O-CG 3.14Å; C422-R426 PolarHBondContact O-NH1 3.48Å; C422-L431 HydrophobicContact CB-CD2 3.91Å; C422-K434 HydrophobicContact CB-CB 4.4Å; C422-K434 HydrophobicContact CB-CG 3.99Å
423	P	90.6	Very high	94.2	Very high	74 Å²	74	58.1 Å²	58.1	48%	0.481	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-62.8	147	178.2	-23.8	34.2	0	0	0	112.4	R430	P423-R430 PolarHBondContact O-NH2 3.15Å; P423-R430 VanDerWaalsContact O-NH2 3.07Å
424	P	88.8	Confident	94.2	Very high	110 Å²	110	58.3 Å²	58.3	71%	0.714	30%	0.304	S	S	*	.	S	Bend	trans	-54.6	146.7	176.4	-24.6	33.8	0	0	0	113
425	P	89.1	Confident	94.2	Very high	51 Å²	51	57.5 Å²	57.5	33%	0.331	30%	0.3	S	S	.	.	S	Bend	cis	-75	140.2	-3.1	30.7	-34.4	0	0	0	112.7	T427 R430	P425-T427 VanDerWaalsContact C-N 3.3Å; P425-T427 HydrophobicContact CB-CG2 4.19Å; P425-T427 HydrophobicContact CG-CG2 4.4Å; P425-T427 PolarHBondContact O-N 3.41Å; P425-T427 VanDerWaalsContact O-N 3.16Å; P425-R430 WeakPolarHBondContact O-CD 3.44Å; P425-R430 PolarHBondContact O-NE 2.93Å
426	R	90.9	Very high	94.2	Very high	60 Å²	60	57.7 Å²	57.7	23%	0.226	30%	0.301	C	S	.	.			trans	-90.1	60.6	-179.6	-66.5	176.5	69.6	83.3	-4.8	111.4	R408 D412 C422 L431	R408-R426 WeakPolarHBondContact CD-O 3.49Å; R408-R426 PolarHBondContact NH1-O 3.38Å; D412-R426 VanDerWaalsContact CG-NE 3.25Å; D412-R426 IonicContact OD1-CZ 3.31Å; D412-R426 IonicContact OD1-NE 2.74Å; D412-R426 PolarHBondContact OD1-NE 3.23Å; D412-R426 IonicContact OD1-NH2 3.11Å; D412-R426 PolarHBondContact OD1-NH2 3.36Å; D412-R426 IonicContact OD2-CZ 3.46Å; D412-R426 IonicContact OD2-NE 3.81Å; D412-R426 PolarHBondContact OD2-NE 3.12Å; D412-R426 IonicContact OD2-NH2 2.72Å; C422-R426 WeakPolarHBondContact O-CG 3.14Å; C422-R426 PolarHBondContact O-NH1 3.48Å; R426-L431 HydrophobicContact CB-CD1 4.4Å; R426-L431 HydrophobicContact CB-CD2 4.25Å; R426-L431 HydrophobicContact CB-CG 4.4Å; R426-L431 WeakPolarHBondContact O-CD1 3.13Å
427	T	90.6	Very high	94.1	Very high	44 Å²	44	52.5 Å²	52.5	27%	0.27	28%	0.277	S	S	.	.			trans	-71.4	156.4	176.4	65	0	0	0	0	110.7	P425 A429 R430 L431	P425-T427 VanDerWaalsContact C-N 3.3Å; P425-T427 HydrophobicContact CB-CG2 4.19Å; P425-T427 HydrophobicContact CG-CG2 4.4Å; P425-T427 PolarHBondContact O-N 3.41Å; P425-T427 VanDerWaalsContact O-N 3.16Å; T427-A429 PolarHBondContact O-N 2.98Å; T427-R430 PolarHBondContact O-N 3.14Å; T427-R430 VanDerWaalsContact O-N 3.15Å; T427-R430 WeakPolarHBondContact OG1-CG 3.37Å; T427-R430 PolarHBondContact OG1-N 3.35Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.43Å; T427-L431 PolarHBondContact O-N 3.25Å
428	T	93.5	Very high	94.1	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-53.9	-42.4	177.8	-54.3	0	0	0	0	111.6	L402 R408 F411 L431 L432 I456	L402-T428 HydrophobicContact CB-CG2 4.36Å; L402-T428 HydrophobicContact CD2-CG2 4.28Å; L402-T428 WeakPolarHBondContact O-CG2 3.33Å; L402-T428 PolarHBondContact O-OG1 2.92Å; R408-T428 WeakPolarHBondContact CA-OG1 3.37Å; R408-T428 WeakPolarHBondContact CB-OG1 3.48Å; F411-T428 HydrophobicContact CD2-CG2 3.85Å; F411-T428 HydrophobicContact CE2-CG2 4.17Å; T428-L431 PolarHBondContact O-N 2.92Å; T428-L432 HydrophobicContact CG2-CD1 3.94Å; T428-L432 HydrophobicContact CG2-CG 4.47Å; T428-L432 WeakPolarHBondContact O-CB 3.35Å; T428-L432 WeakPolarHBondContact O-CG 3.43Å; T428-L432 PolarHBondContact O-N 2.92Å; T428-I456 HydrophobicContact CG2-CD1 4.39Å
429	A	92	Very high	94.1	Very high	24 Å²	24	48.9 Å²	48.9	20%	0.198	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-46.5	177.9	0	0	0	0	0	112.8	T427 L432 D433 M457	T427-A429 PolarHBondContact O-N 2.98Å; A429-L432 PolarHBondContact O-N 3.02Å; A429-D433 WeakPolarHBondContact O-CB 3.32Å; A429-D433 PolarHBondContact O-N 3.08Å; A429-M457 HydrophobicContact CB-CG 4.02Å
430	R	91.4	Very high	94.2	Very high	62 Å²	62	42.1 Å²	42.1	23%	0.234	23%	0.229	C	C	.	.	H	α-helix	trans	-70.1	-31.9	179.5	-71.8	172.3	62.4	104.4	-0.7	112.9	P423 P425 T427 K434	P423-R430 PolarHBondContact O-NH2 3.15Å; P423-R430 VanDerWaalsContact O-NH2 3.07Å; P425-R430 WeakPolarHBondContact O-CD 3.44Å; P425-R430 PolarHBondContact O-NE 2.93Å; T427-R430 PolarHBondContact O-N 3.14Å; T427-R430 VanDerWaalsContact O-N 3.15Å; T427-R430 WeakPolarHBondContact OG1-CG 3.37Å; T427-R430 PolarHBondContact OG1-N 3.35Å; R430-K434 VanDerWaalsContact O-CG 3.22Å; R430-K434 WeakPolarHBondContact O-CG 3.3Å; R430-K434 PolarHBondContact O-N 3.04Å
431	L	95.9	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-45.8	174.9	-69.5	164.8	0	0	0	110.9	R408 F411 D412 C415 C422 R426 T427 T428 K434 L435	R408-L431 HydrophobicContact CG-CD1 4.23Å; R408-L431 WeakPolarHBondContact O-CD1 3.16Å; F411-L431 HydrophobicContact CB-CB 3.86Å; F411-L431 HydrophobicContact CB-CD1 4.2Å; D412-L431 HydrophobicContact CB-CD1 3.93Å; D412-L431 HydrophobicContact CB-CD2 4.48Å; C415-L431 HydrophobicContact CB-CD2 4.25Å; C415-L431 VanDerWaalsContact SG-CD2 3.58Å; C422-L431 HydrophobicContact CB-CD2 3.91Å; R426-L431 HydrophobicContact CB-CD1 4.4Å; R426-L431 HydrophobicContact CB-CD2 4.25Å; R426-L431 HydrophobicContact CB-CG 4.4Å; R426-L431 WeakPolarHBondContact O-CD1 3.13Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.43Å; T427-L431 PolarHBondContact O-N 3.25Å; T428-L431 PolarHBondContact O-N 2.92Å; L431-K434 PolarHBondContact O-N 2.83Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 3.19Å
432	L	96.7	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-50.1	173.7	-79.5	168	0	0	0	111.5	L388 L402 F411 T428 A429 K434 L435 I436 P454 I456 M457	L388-L432 HydrophobicContact CD2-CD2 3.68Å; L402-L432 HydrophobicContact CD1-CD1 4.36Å; F411-L432 HydrophobicContact CD1-CD2 3.72Å; F411-L432 HydrophobicContact CD1-CG 4.28Å; F411-L432 HydrophobicContact CD2-CG 4.44Å; F411-L432 HydrophobicContact CE1-CD2 3.37Å; F411-L432 HydrophobicContact CE1-CG 4.27Å; F411-L432 HydrophobicContact CE2-CD2 4.26Å; F411-L432 HydrophobicContact CE2-CG 4.48Å; F411-L432 HydrophobicContact CG-CD2 4.28Å; F411-L432 HydrophobicContact CG-CG 4.37Å; F411-L432 HydrophobicContact CZ-CD2 3.68Å; F411-L432 HydrophobicContact CZ-CG 4.37Å; T428-L432 HydrophobicContact CG2-CD1 3.94Å; T428-L432 HydrophobicContact CG2-CG 4.47Å; T428-L432 WeakPolarHBondContact O-CB 3.35Å; T428-L432 WeakPolarHBondContact O-CG 3.43Å; T428-L432 PolarHBondContact O-N 2.92Å; A429-L432 PolarHBondContact O-N 3.02Å; L432-K434 VanDerWaalsContact C-N 3.3Å; L432-K434 PolarHBondContact O-N 3.35Å; L432-L435 PolarHBondContact O-N 2.66Å; L432-L435 VanDerWaalsContact O-N 3.14Å; L432-I436 HydrophobicContact CB-CD1 4.42Å; L432-I436 WeakPolarHBondContact O-CB 3.43Å; L432-I436 WeakPolarHBondContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CG1 3.33Å; L432-I436 PolarHBondContact O-N 2.91Å; L432-P454 HydrophobicContact CD1-CB 4.37Å; L432-P454 HydrophobicContact CD1-CG 4.14Å; L432-I456 HydrophobicContact CD1-CG2 4.34Å; L432-M457 HydrophobicContact CB-CE 4.43Å; L432-M457 HydrophobicContact CB-SD 3.77Å; L432-M457 HydrophobicContact CD1-SD 4.13Å
433	D	95.1	Very high	94.3	Very high	66 Å²	66	42.9 Å²	42.9	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-49.4	-49.4	175.9	173.8	82.4	0	0	0	111.9	A429 I436 G437 M457	A429-D433 WeakPolarHBondContact O-CB 3.32Å; A429-D433 PolarHBondContact O-N 3.08Å; D433-I436 PolarHBondContact O-N 2.84Å; D433-G437 PolarHBondContact O-N 2.9Å; D433-M457 HydrophobicContact CB-CE 4.1Å
434	K	96.4	Very high	94.6	Very high	73 Å²	73	39.5 Å²	39.5	32%	0.317	22%	0.217	S	C	.	.	H	α-helix	trans	-68.1	-39.7	-179.9	-64.9	-76.3	163.2	-89.9	0	112.8	V420 E421 C422 R430 L431 L432 G437 D438	V420-K434 HydrophobicContact CG1-CB 3.6Å; E421-K434 WeakPolarHBondContact O-CD 3.44Å; C422-K434 HydrophobicContact CB-CB 4.4Å; C422-K434 HydrophobicContact CB-CG 3.99Å; R430-K434 VanDerWaalsContact O-CG 3.22Å; R430-K434 WeakPolarHBondContact O-CG 3.3Å; R430-K434 PolarHBondContact O-N 3.04Å; L431-K434 PolarHBondContact O-N 2.83Å; L432-K434 VanDerWaalsContact C-N 3.3Å; L432-K434 PolarHBondContact O-N 3.35Å; K434-G437 PolarHBondContact O-N 3.19Å; K434-D438 PolarHBondContact O-N 2.85Å
435	L	97.7	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.6	-73.8	167.3	0	0	0	112	L388 L392 F411 Q414 V420 L431 L432 L439	L388-L435 HydrophobicContact CD1-CB 4.02Å; L392-L435 HydrophobicContact CD2-CD2 4.37Å; F411-L435 HydrophobicContact CB-CD1 4.26Å; F411-L435 HydrophobicContact CD1-CD1 3.73Å; F411-L435 HydrophobicContact CG-CD1 4.46Å; Q414-L435 HydrophobicContact CB-CD1 4.18Å; Q414-L435 HydrophobicContact CB-CD2 4.39Å; V420-L435 HydrophobicContact CB-CD2 4.38Å; V420-L435 HydrophobicContact CG2-CD2 4.12Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 3.19Å; L432-L435 PolarHBondContact O-N 2.66Å; L432-L435 VanDerWaalsContact O-N 3.14Å; L435-L439 HydrophobicContact CD2-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CB 3.41Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.24Å; L435-L439 PolarHBondContact O-N 3.28Å
436	I	97.4	Very high	95.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-47.5	176.1	-66.8	160.5	0	0	0	109.5	V384 L432 D433 D438 I440 E441 L450 M457	V384-I436 HydrophobicContact CG1-CD1 3.44Å; V384-I436 VanDerWaalsContact CG1-CD1 3.44Å; V384-I436 HydrophobicContact CG1-CG1 3.56Å; V384-I436 HydrophobicContact CG1-CG2 4.21Å; L432-I436 HydrophobicContact CB-CD1 4.42Å; L432-I436 WeakPolarHBondContact O-CB 3.43Å; L432-I436 WeakPolarHBondContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CG1 3.33Å; L432-I436 PolarHBondContact O-N 2.91Å; D433-I436 PolarHBondContact O-N 2.84Å; I436-D438 PolarHBondContact O-N 3.46Å; I436-I440 HydrophobicContact CG1-CD1 4.41Å; I436-I440 HydrophobicContact CG2-CB 4.4Å; I436-I440 HydrophobicContact CG2-CD1 4.49Å; I436-I440 WeakPolarHBondContact O-CA 3.2Å; I436-I440 WeakPolarHBondContact O-CB 3.2Å; I436-I440 PolarHBondContact O-N 3.13Å; I436-E441 HydrophobicContact CG2-CG 4.19Å; I436-E441 PolarHBondContact O-N 2.92Å; I436-L450 HydrophobicContact CG2-CD1 4.38Å; I436-M457 HydrophobicContact CD1-CE 3.98Å; I436-M457 HydrophobicContact CD1-SD 4.18Å
437	G	95.8	Very high	95.8	Very high	13 Å²	13	34.7 Å²	34.7	13%	0.134	19%	0.189	C	C	.	.	H	α-helix	trans	-51.6	-55.4	175	0	0	0	0	0	113.6	D433 K434 E441	D433-G437 PolarHBondContact O-N 2.9Å; K434-G437 PolarHBondContact O-N 3.19Å; G437-E441 VanDerWaalsContact CA-CD 3.44Å
438	D	95.9	Very high	96.1	Very high	85 Å²	85	32.8 Å²	32.8	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-79.8	-23.5	-171.6	-74.9	7	0	0	0	113.5	V420 K434 I436	V420-D438 HydrophobicContact CG1-CB 4.44Å; V420-D438 HydrophobicContact CG2-CB 3.82Å; K434-D438 PolarHBondContact O-N 2.85Å; I436-D438 PolarHBondContact O-N 3.46Å
439	L	96.7	Very high	96.4	Very high	30 Å²	30	32.4 Å²	32.4	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-111	-24.6	-172.3	-55	179.1	0	0	0	114.9	L388 K391 L392 L435	L388-L439 HydrophobicContact CD1-CD1 4.12Å; K391-L439 HydrophobicContact CB-CB 4.37Å; K391-L439 WeakPolarHBondContact CD-O 3.21Å; K391-L439 WeakPolarHBondContact CE-O 3.35Å; K391-L439 PolarHBondContact NZ-O 3.02Å; L392-L439 HydrophobicContact CD2-CD1 3.49Å; L392-L439 VanDerWaalsContact CD2-CD1 3.49Å; L392-L439 HydrophobicContact CG-CD1 4.24Å; L435-L439 HydrophobicContact CD2-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CB 3.41Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.24Å; L435-L439 PolarHBondContact O-N 3.28Å
440	I	97.6	Very high	96.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-51.2	-172.8	-55.2	177.9	0	0	0	111.3	V384 C387 L388 I436 V442 D443 C444 L450	V384-I440 HydrophobicContact CG1-CD1 4.21Å; C387-I440 HydrophobicContact CB-CD1 4.07Å; L388-I440 HydrophobicContact CB-CD1 4.02Å; I436-I440 HydrophobicContact CG1-CD1 4.41Å; I436-I440 HydrophobicContact CG2-CB 4.4Å; I436-I440 HydrophobicContact CG2-CD1 4.49Å; I436-I440 WeakPolarHBondContact O-CA 3.2Å; I436-I440 WeakPolarHBondContact O-CB 3.2Å; I436-I440 PolarHBondContact O-N 3.13Å; I440-V442 PolarHBondContact O-N 2.83Å; I440-D443 PolarHBondContact O-N 3.41Å; I440-C444 PolarHBondContact O-SG 2.95Å; I440-L450 HydrophobicContact CG2-CD1 4Å; I440-L450 HydrophobicContact CG2-CD2 3.78Å
441	E	97.1	Very high	97	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.187	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.3	-35.9	-174.1	-62.7	179.1	-163.9	0	0	112.4	I436 G437 D443 C444 L450 F477 C480	I436-E441 HydrophobicContact CG2-CG 4.19Å; I436-E441 PolarHBondContact O-N 2.92Å; G437-E441 VanDerWaalsContact CA-CD 3.44Å; E441-D443 PolarHBondContact O-N 2.83Å; E441-D443 VanDerWaalsContact O-N 3.14Å; E441-C444 VanDerWaalsContact O-CB 3.31Å; E441-C444 WeakPolarHBondContact O-CB 3.2Å; E441-C444 PolarHBondContact O-N 2.93Å; E441-L450 HydrophobicContact CG-CD1 4.2Å; E441-F477 HydrophobicContact CB-CD1 4.01Å; E441-F477 HydrophobicContact CB-CE1 3.85Å; E441-F477 HydrophobicContact CG-CD1 3.9Å; E441-F477 HydrophobicContact CG-CE1 3.35Å; E441-F477 HydrophobicContact CG-CE2 4.33Å; E441-F477 HydrophobicContact CG-CZ 3.58Å; E441-F477 WeakPolarHBondContact OE1-CZ 3.36Å; E441-F477 VanDerWaalsContact OE2-CE1 3.22Å; E441-F477 WeakPolarHBondContact OE2-CE1 3.47Å; E441-C480 WeakPolarHBondContact O-CA 3.5Å
442	V	95.3	Very high	97.1	Very high	75 Å²	75	30.4 Å²	30.4	46%	0.455	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-59.5	-20.8	177.2	-63.9	0	0	0	0	114.5	I440 C480	I440-V442 PolarHBondContact O-N 2.83Å; V442-C480 PolarHBondContact O-SG 2.83Å
443	D	95.1	Very high	97.1	Very high	75 Å²	75	30.4 Å²	30.4	40%	0.401	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-90.4	-9.4	177.3	-72.7	-8.4	0	0	0	112.8	K391 I440 E441 V445	K391-D443 WeakPolarHBondContact CE-OD2 3.49Å; K391-D443 IonicContact NZ-OD1 3.81Å; K391-D443 IonicContact NZ-OD2 2.79Å; K391-D443 PolarHBondContact NZ-OD2 3.08Å; I440-D443 PolarHBondContact O-N 3.41Å; E441-D443 PolarHBondContact O-N 2.83Å; E441-D443 VanDerWaalsContact O-N 3.14Å; D443-V445 VanDerWaalsContact C-N 3.28Å; D443-V445 PolarHBondContact O-N 3.18Å
444	C	97.2	Very high	97.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.02	15%	0.148	C	C	.	.			trans	-85.2	64.8	-173.6	-61.2	0	0	0	0	111.5	I440 E441 F477 I478 A479 C480	I440-C444 PolarHBondContact O-SG 2.95Å; E441-C444 VanDerWaalsContact O-CB 3.31Å; E441-C444 WeakPolarHBondContact O-CB 3.2Å; E441-C444 PolarHBondContact O-N 2.93Å; C444-F477 HydrophobicContact CB-CB 3.48Å; C444-F477 VanDerWaalsContact CB-CB 3.48Å; C444-F477 HydrophobicContact CB-CG 4.43Å; C444-I478 CarbonylContact O-C 3.51Å; C444-A479 PolarHBondContact O-N 2.83Å; C444-A479 VanDerWaalsContact O-N 3.08Å; C444-C480 PolarHBondContact O-N 3.25Å
445	V	96.7	Very high	97.1	Very high	49 Å²	49	26.4 Å²	26.4	30%	0.297	15%	0.145	S	C	.	.			trans	-71.1	-58.9	178.1	178.5	0	0	0	0	111.1	I363 V371 I373 D443 A479	I363-V445 HydrophobicContact CD1-CG1 4.42Å; V371-V445 HydrophobicContact CB-CG1 4.41Å; V371-V445 HydrophobicContact CG2-CG1 4.1Å; I373-V445 HydrophobicContact CD1-CG1 3.92Å; I373-V445 WeakPolarHBondContact CD1-O 3.15Å; D443-V445 VanDerWaalsContact C-N 3.28Å; D443-V445 PolarHBondContact O-N 3.18Å; V445-A479 PolarHBondContact O-N 2.96Å
446	N	98.1	Very high	96.9	Very high	70 Å²	70	28 Å²	28	37%	0.374	15%	0.154	S	C	.	.	S	Bend	trans	-78.5	160.7	172.1	-75.9	-28.6	0	0	0	110.6	V372 I373 D374 T448	V372-N446 PolarHBondContact O-OD1 3.22Å; I373-N446 WeakPolarHBondContact CA-OD1 3.26Å; D374-N446 PolarHBondContact N-OD1 3.35Å; N446-T448 PolarHBondContact O-N 3.29Å; N446-T448 PolarHBondContact O-OG1 3.48Å
447	P	98.7	Very high	96.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.013	16%	0.16	C	C	.	.			trans	-48.5	116.5	175.1	-26.6	35.3	0	0	0	111.9	D374 F375 F379 R380 L476 F477 I478	D374-P447 WeakPolarHBondContact O-CD 3.12Å; F375-P447 HydrophobicContact CD1-CG 3.75Å; F375-P447 HydrophobicContact CE1-CG 3.93Å; F375-P447 HydrophobicContact CG-CG 4.15Å; F375-P447 HydrophobicContact CZ-CG 4.45Å; F379-P447 HydrophobicContact CB-CB 4.36Å; F379-P447 WeakPolarHBondContact CB-O 3.28Å; F379-P447 HydrophobicContact CD1-CB 3.77Å; F379-P447 HydrophobicContact CD1-CG 4.39Å; F379-P447 HydrophobicContact CD2-CB 3.63Å; F379-P447 HydrophobicContact CE1-CB 3.88Å; F379-P447 HydrophobicContact CE1-CG 4.13Å; F379-P447 HydrophobicContact CE2-CB 3.74Å; F379-P447 HydrophobicContact CE2-CG 4.49Å; F379-P447 HydrophobicContact CG-CB 3.66Å; F379-P447 HydrophobicContact CZ-CB 3.87Å; F379-P447 HydrophobicContact CZ-CG 4.18Å; R380-P447 PolarHBondContact N-O 3.12Å; P447-L476 HydrophobicContact CB-CD1 4.13Å; P447-F477 WeakPolarHBondContact CA-O 3.36Å; P447-I478 HydrophobicContact CB-CG1 4.18Å; P447-I478 HydrophobicContact CG-CD1 4.29Å; P447-I478 HydrophobicContact CG-CG1 4.14Å; P447-I478 HydrophobicContact CG-CG2 4.2Å
448	T	98.8	Very high	96.6	Very high	4 Å²	4	29 Å²	29	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.7	-175.1	-58	0	0	0	0	109.2	R380 V382 N446 L450 F477	R380-T448 HydrophobicContact CB-CG2 3.99Å; R380-T448 HydrophobicContact CG-CG2 3.99Å; R380-T448 CarbonylContact O-C 3.57Å; R380-T448 VanDerWaalsContact O-CA 3.31Å; R380-T448 WeakPolarHBondContact O-CA 3.06Å; V382-T448 HydrophobicContact CG2-CG2 3.8Å; N446-T448 PolarHBondContact O-N 3.29Å; N446-T448 PolarHBondContact O-OG1 3.48Å; T448-L450 HydrophobicContact CG2-CD2 4.12Å; T448-F477 PolarHBondContact N-O 3.18Å; T448-F477 PolarHBondContact O-N 2.94Å
449	F	98.8	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.8	169.9	-64.3	-64.7	0	0	0	109.6	M339 T342 E343 F379 R380 K381 V382 M451 F474 E475 L476	M339-F449 HydrophobicContact CB-CE1 4.36Å; M339-F449 HydrophobicContact CB-CE2 4.05Å; M339-F449 HydrophobicContact CB-CZ 3.95Å; M339-F449 HydrophobicContact CG-CD1 4.14Å; M339-F449 HydrophobicContact CG-CD2 4.26Å; M339-F449 HydrophobicContact CG-CE1 4.07Å; M339-F449 HydrophobicContact CG-CE2 4.19Å; M339-F449 HydrophobicContact CG-CG 4.22Å; M339-F449 HydrophobicContact CG-CZ 4.1Å; M339-F449 HydrophobicContact SD-CD2 4.34Å; M339-F449 HydrophobicContact SD-CG 4.4Å; T342-F449 HydrophobicContact CG2-CE1 3.87Å; T342-F449 HydrophobicContact CG2-CZ 3.85Å; E343-F449 HydrophobicContact CG-CE2 3.84Å; E343-F449 HydrophobicContact CG-CZ 4.1Å; F379-F449 HydrophobicContact CB-CD2 3.89Å; F379-F449 HydrophobicContact CB-CE2 3.68Å; F379-F449 AromaticContact CD2-CE2 3.78Å; F379-F449 HydrophobicContact CD2-CE2 3.78Å; F379-F449 AromaticContact CD2-CZ 3.8Å; F379-F449 HydrophobicContact CD2-CZ 3.8Å; F379-F449 HydrophobicContact CG-CE2 4.19Å; R380-F449 PolarHBondContact O-N 2.99Å; K381-F449 HydrophobicContact CG-CB 4.19Å; K381-F449 HydrophobicContact CG-CD2 3.91Å; V382-F449 PolarHBondContact N-O 3.22Å; F449-M451 HydrophobicContact CB-CG 4.04Å; F449-F474 AromaticContact CD1-CD2 3.42Å; F449-F474 HydrophobicContact CD1-CD2 3.42Å; F449-F474 VanDerWaalsContact CD1-CD2 3.42Å; F449-F474 AromaticContact CD1-CE2 3.71Å; F449-F474 HydrophobicContact CD1-CE2 3.71Å; F449-F474 HydrophobicContact CD1-CG 4.12Å; F449-F474 AromaticContact CE1-CD2 3.81Å; F449-F474 HydrophobicContact CE1-CD2 3.81Å; F449-F474 AromaticContact CE1-CE2 3.56Å; F449-F474 HydrophobicContact CE1-CE2 3.56Å; F449-F474 HydrophobicContact CE1-CZ 4.27Å; F449-F474 HydrophobicContact CG-CD2 4.47Å; F449-E475 CarbonylContact C-O 3.59Å; F449-E475 WeakPolarHBondContact CA-O 3.37Å; F449-L476 HydrophobicContact CD1-CB 4.32Å; F449-L476 HydrophobicContact CD1-CD1 3.71Å; F449-L476 HydrophobicContact CE1-CB 4.35Å; F449-L476 HydrophobicContact CE1-CD1 3.68Å; F449-L476 HydrophobicContact CE1-CG 4.49Å; F449-L476 HydrophobicContact CG-CD1 4.27Å; F449-L476 HydrophobicContact CZ-CD1 4.21Å
450	L	98.6	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.1	166.5	-64.9	-163.4	0	0	0	107.7	V382 V384 I436 I440 E441 T448 H453 F474 E475 F477	V382-L450 HydrophobicContact CB-CD2 3.87Å; V382-L450 HydrophobicContact CG1-CD2 4.2Å; V382-L450 HydrophobicContact CG2-CD2 4.48Å; V382-L450 CarbonylContact O-C 3.49Å; V382-L450 WeakPolarHBondContact O-CA 3.03Å; V384-L450 HydrophobicContact CG2-CB 3.61Å; V384-L450 HydrophobicContact CG2-CG 4.45Å; I436-L450 HydrophobicContact CG2-CD1 4.38Å; I440-L450 HydrophobicContact CG2-CD1 4Å; I440-L450 HydrophobicContact CG2-CD2 3.78Å; E441-L450 HydrophobicContact CG-CD1 4.2Å; T448-L450 HydrophobicContact CG2-CD2 4.12Å; L450-H453 PolarHBondContact O-CE1 2.95Å; L450-H453 VanDerWaalsContact O-CE1 3.23Å; L450-F474 CarbonylContact O-C 3.45Å; L450-F474 WeakPolarHBondContact O-CA 3.27Å; L450-E475 PolarHBondContact N-O 3.12Å; L450-E475 PolarHBondContact O-N 3.42Å; L450-F477 HydrophobicContact CB-CD2 4.27Å; L450-F477 HydrophobicContact CB-CE2 4.46Å; L450-F477 HydrophobicContact CD1-CD2 3.52Å; L450-F477 HydrophobicContact CD1-CE2 3.6Å; L450-F477 HydrophobicContact CD1-CG 4.18Å; L450-F477 HydrophobicContact CD1-CZ 4.33Å; L450-F477 HydrophobicContact CG-CD2 3.71Å; L450-F477 HydrophobicContact CG-CE2 4.16Å; L450-F477 HydrophobicContact CG-CG 4.47Å
451	M	98.4	Very high	96.5	Very high	24 Å²	24	24.3 Å²	24.3	12%	0.118	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	169.3	-168.8	-51.4	-175.3	-47.7	0	0	112.3	M339 K381 V382 V384 F449 R473 F474	M339-M451 HydrophobicContact CE-CG 4.38Å; M339-M451 HydrophobicContact CE-SD 3.6Å; M339-M451 VanDerWaalsContact CE-SD 3.6Å; M339-M451 HydrophobicContact SD-SD 3.62Å; M339-M451 VanDerWaalsContact SD-SD 3.62Å; K381-M451 HydrophobicContact CB-CE 3.85Å; K381-M451 HydrophobicContact CB-SD 3.94Å; K381-M451 HydrophobicContact CD-SD 4.24Å; K381-M451 HydrophobicContact CG-SD 4.01Å; V382-M451 PolarHBondContact O-N 3.5Å; V384-M451 WeakPolarHBondContact CB-O 3.15Å; V384-M451 WeakPolarHBondContact CG2-O 3.41Å; V384-M451 PolarHBondContact N-O 2.91Å; F449-M451 HydrophobicContact CB-CG 4.04Å; M451-R473 CarbonylContact C-O 3.59Å; M451-R473 WeakPolarHBondContact CA-O 3.36Å; M451-F474 HydrophobicContact CG-CB 4.05Å
452	D	97	Very high	96.6	Very high	21 Å²	21	24.4 Å²	24.4	11%	0.112	13%	0.131	C	C	.	.			trans	61.2	47.2	169.5	-47.1	-40.8	0	0	0	113.4	S383 N464 L470 T471 R473	S383-D452 WeakPolarHBondContact CB-OD2 3.03Å; S383-D452 PolarHBondContact OG-OD2 3.18Å; D452-N464 PolarHBondContact OD1-ND2 3.39Å; D452-L470 HydrophobicContact CB-CD1 3.93Å; D452-T471 WeakPolarHBondContact CA-O 3.35Å; D452-R473 PolarHBondContact N-O 2.89Å
453	H	97.4	Very high	96.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.127	C	C	.	.			trans	-64.9	141.9	178.6	-73.2	77.8	0	0	0	111.4	L450 C458 T471 R473 E475	L450-H453 PolarHBondContact O-CE1 2.95Å; L450-H453 VanDerWaalsContact O-CE1 3.23Å; H453-C458 VanDerWaalsContact CB-SG 3.51Å; H453-T471 PolarHBondContact O-N 3.01Å; H453-T471 PolarHBondContact O-OG1 3.36Å; H453-R473 HydrophobicContact CB-CB 4.29Å; H453-R473 HydrophobicContact CB-CG 4.38Å; H453-E475 IonicContact CE1-OE2 3.87Å; H453-E475 IonicContact NE2-OE2 3.13Å; H453-E475 PolarHBondContact NE2-OE2 3.36Å
454	P	96.8	Very high	96.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-56.9	140.8	174.1	-30.2	39.2	0	0	0	114	Y385 L402 L432 I456 M457 C458 L470	Y385-P454 HydrophobicContact CD2-CG 3.79Å; Y385-P454 HydrophobicContact CE2-CG 4.07Å; L402-P454 HydrophobicContact CD1-CB 3.55Å; L402-P454 HydrophobicContact CD1-CG 3.97Å; L432-P454 HydrophobicContact CD1-CB 4.37Å; L432-P454 HydrophobicContact CD1-CG 4.14Å; P454-I456 HydrophobicContact CB-CG2 4.1Å; P454-I456 PolarHBondContact O-N 3.07Å; P454-M457 HydrophobicContact CG-SD 4.37Å; P454-M457 WeakPolarHBondContact O-CB 3.24Å; P454-M457 PolarHBondContact O-N 3.03Å; P454-C458 PolarHBondContact O-SG 3.35Å; P454-C458 VanDerWaalsContact O-SG 3.38Å; P454-L470 HydrophobicContact CB-CD2 4.4Å; P454-L470 HydrophobicContact CG-CD2 4.09Å
455	E	94.7	Very high	96.9	Very high	53 Å²	53	28.9 Å²	28.9	25%	0.248	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-57.8	-33.1	-177.6	-174.1	168.5	-160.6	0	0	113.7	M457 C458 G469 T471 H499	E455-M457 PolarHBondContact O-N 3.03Å; E455-C458 PolarHBondContact O-N 3.08Å; E455-G469 PolarHBondContact N-O 3.25Å; E455-T471 HydrophobicContact CB-CG2 3.88Å; E455-T471 HydrophobicContact CG-CG2 4.17Å; E455-H499 IonicContact OE1-CE1 3.72Å; E455-H499 PolarHBondContact OE1-CE1 2.95Å; E455-H499 IonicContact OE1-NE2 3.65Å; E455-H499 PolarHBondContact OE1-NE2 3.03Å
456	I	92.2	Very high	96.8	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.179	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.1	-18.9	175.9	-161.6	163.2	0	0	0	113.8	L402 Q403 T428 L432 P454	L402-I456 HydrophobicContact CB-CG2 4.4Å; L402-I456 HydrophobicContact CD1-CG2 4.5Å; Q403-I456 HydrophobicContact CG-CD1 4.46Å; T428-I456 HydrophobicContact CG2-CD1 4.39Å; L432-I456 HydrophobicContact CD1-CG2 4.34Å; P454-I456 HydrophobicContact CB-CG2 4.1Å; P454-I456 PolarHBondContact O-N 3.07Å
457	M	93.4	Very high	96.7	Very high	30 Å²	30	32.5 Å²	32.5	15%	0.148	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-97.6	-6.9	177.4	-59.2	176.6	68.8	0	0	113	A429 L432 D433 I436 P454 E455 R473	A429-M457 HydrophobicContact CB-CG 4.02Å; L432-M457 HydrophobicContact CB-CE 4.43Å; L432-M457 HydrophobicContact CB-SD 3.77Å; L432-M457 HydrophobicContact CD1-SD 4.13Å; D433-M457 HydrophobicContact CB-CE 4.1Å; I436-M457 HydrophobicContact CD1-CE 3.98Å; I436-M457 HydrophobicContact CD1-SD 4.18Å; P454-M457 HydrophobicContact CG-SD 4.37Å; P454-M457 WeakPolarHBondContact O-CB 3.24Å; P454-M457 PolarHBondContact O-N 3.03Å; E455-M457 PolarHBondContact O-N 3.03Å; M457-R473 PolarHBondContact O-NH1 2.93Å
458	C	94.3	Very high	96.6	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.041	18%	0.18	C	C	.	.			trans	-136.2	65.9	-162.8	-51	0	0	0	0	111.9	H453 P454 E455 L460 A461 T471 R473	H453-C458 VanDerWaalsContact CB-SG 3.51Å; P454-C458 PolarHBondContact O-SG 3.35Å; P454-C458 VanDerWaalsContact O-SG 3.38Å; E455-C458 PolarHBondContact O-N 3.08Å; C458-L460 PolarHBondContact O-N 2.96Å; C458-A461 HydrophobicContact CB-CB 3.69Å; C458-A461 PolarHBondContact O-N 3.06Å; C458-A461 VanDerWaalsContact O-N 3.12Å; C458-T471 HydrophobicContact CB-CG2 3.94Å; C458-T471 PolarHBondContact SG-OG1 3.31Å; C458-R473 WeakPolarHBondContact SG-CD 3.42Å; C458-R473 PolarHBondContact SG-NH1 2.76Å
459	P	93.8	Very high	96.4	Very high	15 Å²	15	36.7 Å²	36.7	10%	0.097	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.8	-171.2	25.8	-35.4	0	0	0	115.2	Q496 H499 Q503	P459-Q496 PolarHBondContact O-NE2 3.4Å; P459-H499 HydrophobicContact CB-CB 4.47Å; P459-H499 PolarHBondContact O-ND1 3.1Å; P459-Q503 HydrophobicContact CB-CG 4Å; P459-Q503 HydrophobicContact CG-CG 4.41Å
460	L	97.1	Very high	96.4	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-6.4	-178	-57.4	176.5	0	0	0	113.3	E289 L290 C458 Y487 L490 F500	E289-L460 HydrophobicContact CG-CD1 4.37Å; E289-L460 WeakPolarHBondContact OE1-CB 3.42Å; E289-L460 VanDerWaalsContact OE1-CD1 3.23Å; E289-L460 WeakPolarHBondContact OE1-CD1 3.47Å; L290-L460 HydrophobicContact CD2-CD1 4.36Å; L290-L460 HydrophobicContact CD2-CD2 4.37Å; C458-L460 PolarHBondContact O-N 2.96Å; L460-Y487 HydrophobicContact CB-CE2 4.17Å; L460-L490 WeakPolarHBondContact O-CB 3.3Å; L460-L490 PolarHBondContact O-N 3.23Å; L460-F500 HydrophobicContact CD2-CE1 4.08Å; L460-F500 HydrophobicContact CD2-CZ 4.17Å
461	A	98.1	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-90	144.4	-178.9	0	0	0	0	0	110.9	C458 T471 R473 Y487	C458-A461 HydrophobicContact CB-CB 3.69Å; C458-A461 PolarHBondContact O-N 3.06Å; C458-A461 VanDerWaalsContact O-N 3.12Å; A461-T471 HydrophobicContact CB-CG2 4.14Å; A461-R473 HydrophobicContact CB-CB 4.44Å; A461-Y487 HydrophobicContact CB-CD1 4.23Å; A461-Y487 HydrophobicContact CB-CD2 3.88Å; A461-Y487 HydrophobicContact CB-CG 3.68Å
462	K	98.4	Very high	96.4	Very high	43 Å²	43	36.1 Å²	36.1	19%	0.187	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-73.3	142.4	177.7	-160.1	165.8	-175.6	168	0	111	T471 E472 T488 N491	K462-T471 CarbonylContact O-C 3.59Å; K462-T471 VanDerWaalsContact O-CA 3.31Å; K462-T471 WeakPolarHBondContact O-CA 3.4Å; K462-T471 WeakPolarHBondContact O-CB 3.43Å; K462-E472 PolarHBondContact O-N 3.15Å; K462-T488 HydrophobicContact CB-CG2 4.18Å; K462-T488 VanDerWaalsContact CB-O 3.28Å; K462-T488 WeakPolarHBondContact CB-O 3.05Å; K462-T488 HydrophobicContact CD-CG2 4.05Å; K462-T488 PolarHBondContact N-O 3.5Å; K462-N491 WeakPolarHBondContact CE-OD1 3.49Å; K462-N491 PolarHBondContact NZ-OD1 3.17Å
463	W	97.8	Very high	96.5	Very high	98 Å²	98	36.4 Å²	36.4	37%	0.371	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-55.7	148.2	175.4	59.8	84.9	0	0	0	111.7	L470 L490 D492 V495	W463-L470 CarbonylContact C-O 3.58Å; W463-L470 WeakPolarHBondContact CA-O 3.39Å; W463-L490 HydrophobicContact CE3-CD1 4.04Å; W463-L490 HydrophobicContact CZ3-CD1 3.62Å; W463-D492 HydrophobicContact CH2-CB 4.01Å; W463-D492 HydrophobicContact CZ3-CB 4.16Å; W463-V495 HydrophobicContact CZ3-CB 4.32Å; W463-V495 HydrophobicContact CZ3-CG1 4.22Å; W463-V495 HydrophobicContact CZ3-CG2 4.04Å
464	N	98	Very high	96.5	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.059	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-68.3	132.1	178.9	-171.6	-69	0	0	0	110.3	D452 N466 V467 L470	D452-N464 PolarHBondContact OD1-ND2 3.39Å; N464-N466 PolarHBondContact O-N 2.99Å; N464-N466 PolarHBondContact OD1-N 2.75Å; N464-V467 PolarHBondContact OD1-N 2.9Å; N464-L470 HydrophobicContact CB-CB 4.01Å; N464-L470 WeakPolarHBondContact CB-O 3.43Å; N464-L470 PolarHBondContact N-O 2.72Å
465	R	97.2	Very high	96.6	Very high	137 Å²	137	37.2 Å²	37.2	52%	0.517	18%	0.184	S	C	.	.	S	Bend	trans	-66.5	-16.7	-177.8	71.2	-172.7	67.4	168.9	6.9	114.9	D334 E472	D334-R465 IonicContact OD2-CZ 2.66Å; D334-R465 IonicContact OD2-NH1 3.07Å; D334-R465 PolarHBondContact OD2-NH1 3.36Å; D334-R465 VanDerWaalsContact OD2-NH1 3.13Å; D334-R465 IonicContact OD2-NH2 3.26Å; D334-R465 PolarHBondContact OD2-NH2 3.2Å; R465-E472 WeakPolarHBondContact CG-OE1 3.48Å; R465-E472 IonicContact CZ-OE1 3.8Å; R465-E472 VanDerWaalsContact CZ-OE1 3.26Å; R465-E472 IonicContact CZ-OE2 2.79Å; R465-E472 PolarHBondContact N-OE1 2.91Å; R465-E472 IonicContact NE-OE1 3.77Å; R465-E472 PolarHBondContact NE-OE1 3.45Å; R465-E472 IonicContact NE-OE2 3.4Å; R465-E472 VanDerWaalsContact NH2-CD 3.33Å; R465-E472 IonicContact NH2-OE1 3.1Å; R465-E472 PolarHBondContact NH2-OE1 3.06Å; R465-E472 IonicContact NH2-OE2 3.13Å; R465-E472 PolarHBondContact NH2-OE2 3.42Å
466	N	96.3	Very high	96.8	Very high	134 Å²	134	34.7 Å²	34.7	72%	0.717	17%	0.172	S	C	*	.	S	Bend	trans	-118.7	-29	-174.7	-61	-47.8	0	0	0	114.2	N464	N464-N466 PolarHBondContact O-N 2.99Å; N464-N466 PolarHBondContact OD1-N 2.75Å
467	V	95.9	Very high	97.1	Very high	62 Å²	62	33.1 Å²	33.1	38%	0.376	16%	0.164	S	C	.	.	S	Bend	trans	-124.4	99.4	-173.3	-170.9	0	0	0	0	110.5	N464 L470	N464-V467 PolarHBondContact OD1-N 2.9Å; V467-L470 HydrophobicContact CB-CB 4.49Å; V467-L470 HydrophobicContact CB-CD1 3.96Å; V467-L470 HydrophobicContact CB-CG 4.32Å; V467-L470 HydrophobicContact CG1-CD1 3.57Å; V467-L470 HydrophobicContact CG1-CG 3.9Å; V467-L470 PolarHBondContact O-N 3.21Å
468	P	95.8	Very high	97.3	Very high	84 Å²	84	31.8 Å²	31.8	55%	0.545	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	138	178.8	-27.5	35.7	0	0	0	113.2	P399 L470	P399-P468 WeakPolarHBondContact CB-O 3.39Å; P468-L470 VanDerWaalsContact C-N 3.31Å
469	G	95.5	Very high	97.5	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-3.9	-178.2	0	0	0	0	0	115.6	E455	E455-G469 PolarHBondContact N-O 3.25Å
470	L	97.7	Very high	97.5	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-101.6	169.5	167.2	-56	-174.1	0	0	0	110.6	Y385 P399 D452 P454 W463 N464 V467 P468	Y385-L470 HydrophobicContact CD2-CD2 4.26Å; Y385-L470 HydrophobicContact CG-CD2 4.15Å; P399-L470 HydrophobicContact CB-CD2 3.6Å; P399-L470 HydrophobicContact CB-CG 3.98Å; P399-L470 HydrophobicContact CG-CD2 3.83Å; P399-L470 HydrophobicContact CG-CG 4.02Å; D452-L470 HydrophobicContact CB-CD1 3.93Å; P454-L470 HydrophobicContact CB-CD2 4.4Å; P454-L470 HydrophobicContact CG-CD2 4.09Å; W463-L470 CarbonylContact C-O 3.58Å; W463-L470 WeakPolarHBondContact CA-O 3.39Å; N464-L470 HydrophobicContact CB-CB 4.01Å; N464-L470 WeakPolarHBondContact CB-O 3.43Å; N464-L470 PolarHBondContact N-O 2.72Å; V467-L470 HydrophobicContact CB-CB 4.49Å; V467-L470 HydrophobicContact CB-CD1 3.96Å; V467-L470 HydrophobicContact CB-CG 4.32Å; V467-L470 HydrophobicContact CG1-CD1 3.57Å; V467-L470 HydrophobicContact CG1-CG 3.9Å; V467-L470 PolarHBondContact O-N 3.21Å; P468-L470 VanDerWaalsContact C-N 3.31Å
471	T	98.4	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-122.5	158.3	179.2	57.5	0	0	0	0	112.2	D452 H453 E455 C458 A461 K462 R473	D452-T471 WeakPolarHBondContact CA-O 3.35Å; H453-T471 PolarHBondContact O-N 3.01Å; H453-T471 PolarHBondContact O-OG1 3.36Å; E455-T471 HydrophobicContact CB-CG2 3.88Å; E455-T471 HydrophobicContact CG-CG2 4.17Å; C458-T471 HydrophobicContact CB-CG2 3.94Å; C458-T471 PolarHBondContact SG-OG1 3.31Å; A461-T471 HydrophobicContact CB-CG2 4.14Å; K462-T471 CarbonylContact O-C 3.59Å; K462-T471 VanDerWaalsContact O-CA 3.31Å; K462-T471 WeakPolarHBondContact O-CA 3.4Å; K462-T471 WeakPolarHBondContact O-CB 3.43Å; T471-R473 PolarHBondContact O-N 2.78Å
472	E	98.7	Very high	97.4	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.028	19%	0.194	C	C	.	.	S	Bend	trans	-80.7	62.3	169.8	-60.4	-164.8	164.3	0	0	110.4	Y335 K462 R465 Y487 T488	Y335-E472 WeakPolarHBondContact CB-O 3.41Å; Y335-E472 HydrophobicContact CD1-CB 3.74Å; Y335-E472 HydrophobicContact CD1-CG 4.31Å; Y335-E472 VanDerWaalsContact CD2-C 3.49Å; Y335-E472 HydrophobicContact CD2-CB 4.13Å; Y335-E472 HydrophobicContact CE1-CB 3.87Å; Y335-E472 HydrophobicContact CE1-CG 4Å; Y335-E472 HydrophobicContact CE2-CB 4.26Å; Y335-E472 HydrophobicContact CG-CB 3.91Å; K462-E472 PolarHBondContact O-N 3.15Å; R465-E472 WeakPolarHBondContact CG-OE1 3.48Å; R465-E472 IonicContact CZ-OE1 3.8Å; R465-E472 VanDerWaalsContact CZ-OE1 3.26Å; R465-E472 IonicContact CZ-OE2 2.79Å; R465-E472 PolarHBondContact N-OE1 2.91Å; R465-E472 IonicContact NE-OE1 3.77Å; R465-E472 PolarHBondContact NE-OE1 3.45Å; R465-E472 IonicContact NE-OE2 3.4Å; R465-E472 VanDerWaalsContact NH2-CD 3.33Å; R465-E472 IonicContact NH2-OE1 3.1Å; R465-E472 PolarHBondContact NH2-OE1 3.06Å; R465-E472 IonicContact NH2-OE2 3.13Å; R465-E472 PolarHBondContact NH2-OE2 3.42Å; E472-Y487 CarbonylContact O-C 3.41Å; E472-Y487 WeakPolarHBondContact O-CA 3.31Å; E472-Y487 VanDerWaalsContact O-CB 3.24Å; E472-Y487 WeakPolarHBondContact O-CB 3.32Å; E472-T488 WeakPolarHBondContact CB-OG1 3.46Å; E472-T488 PolarHBondContact O-N 3.28Å; E472-T488 WeakPolarHBondContact OE2-CB 3.18Å; E472-T488 PolarHBondContact OE2-OG1 2.88Å
473	R	98.5	Very high	97.4	Very high	28 Å²	28	38.9 Å²	38.9	11%	0.106	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	178.4	176.3	177.9	173.3	-163.3	-3.9	110.5	M451 D452 H453 M457 C458 A461 T471 E475 N485 A486 Y487	M451-R473 CarbonylContact C-O 3.59Å; M451-R473 WeakPolarHBondContact CA-O 3.36Å; D452-R473 PolarHBondContact N-O 2.89Å; H453-R473 HydrophobicContact CB-CB 4.29Å; H453-R473 HydrophobicContact CB-CG 4.38Å; M457-R473 PolarHBondContact O-NH1 2.93Å; C458-R473 WeakPolarHBondContact SG-CD 3.42Å; C458-R473 PolarHBondContact SG-NH1 2.76Å; A461-R473 HydrophobicContact CB-CB 4.44Å; T471-R473 PolarHBondContact O-N 2.78Å; R473-E475 IonicContact CZ-OE1 2.88Å; R473-E475 IonicContact NH2-OE1 3.37Å; R473-E475 PolarHBondContact NH2-OE1 3.45Å; R473-N485 PolarHBondContact NE-OD1 3.11Å; R473-A486 CarbonylContact C-O 3.51Å; R473-A486 WeakPolarHBondContact CA-O 3.36Å; R473-Y487 HydrophobicContact CG-CD1 4.07Å
474	F	98.7	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.4	160	72.2	-93.9	0	0	0	112.4	Y335 L338 M339 F449 L450 M451 V484 A486 Y535	Y335-F474 HydrophobicContact CD2-CD1 4.13Å; Y335-F474 VanDerWaalsContact O-CE1 3.3Å; Y335-F474 WeakPolarHBondContact O-CE1 3.4Å; L338-F474 HydrophobicContact CB-CE1 3.78Å; L338-F474 HydrophobicContact CB-CZ 3.94Å; M339-F474 HydrophobicContact CE-CD1 4.02Å; M339-F474 HydrophobicContact CG-CD1 3.65Å; M339-F474 HydrophobicContact CG-CD2 4.46Å; M339-F474 HydrophobicContact CG-CE1 3.63Å; M339-F474 HydrophobicContact CG-CE2 4.43Å; M339-F474 HydrophobicContact CG-CG 4.07Å; M339-F474 HydrophobicContact CG-CZ 4.01Å; F449-F474 AromaticContact CD1-CD2 3.42Å; F449-F474 HydrophobicContact CD1-CD2 3.42Å; F449-F474 VanDerWaalsContact CD1-CD2 3.42Å; F449-F474 AromaticContact CD1-CE2 3.71Å; F449-F474 HydrophobicContact CD1-CE2 3.71Å; F449-F474 HydrophobicContact CD1-CG 4.12Å; F449-F474 AromaticContact CE1-CD2 3.81Å; F449-F474 HydrophobicContact CE1-CD2 3.81Å; F449-F474 AromaticContact CE1-CE2 3.56Å; F449-F474 HydrophobicContact CE1-CE2 3.56Å; F449-F474 HydrophobicContact CE1-CZ 4.27Å; F449-F474 HydrophobicContact CG-CD2 4.47Å; L450-F474 CarbonylContact O-C 3.45Å; L450-F474 WeakPolarHBondContact O-CA 3.27Å; M451-F474 HydrophobicContact CG-CB 4.05Å; F474-V484 HydrophobicContact CE2-CG1 3.89Å; F474-A486 HydrophobicContact CD1-CB 4.2Å; F474-A486 HydrophobicContact CD2-CB 4.38Å; F474-A486 HydrophobicContact CE1-CB 3.61Å; F474-A486 HydrophobicContact CE2-CB 3.83Å; F474-A486 HydrophobicContact CZ-CB 3.42Å; F474-A486 VanDerWaalsContact CZ-CB 3.42Å; F474-A486 PolarHBondContact N-O 2.92Å; F474-A486 PolarHBondContact O-N 3.13Å; F474-A486 VanDerWaalsContact O-O 3.08Å; F474-Y535 HydrophobicContact CE2-CE2 4.16Å; F474-Y535 HydrophobicContact CZ-CD2 4.16Å; F474-Y535 AromaticContact CZ-CE2 3.85Å; F474-Y535 HydrophobicContact CZ-CE2 3.85Å
475	E	98.7	Very high	97.4	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.3	164.5	-65.8	179.7	136.1	0	0	109.2	F449 L450 H453 R473 F477 V484 N485	F449-E475 CarbonylContact C-O 3.59Å; F449-E475 WeakPolarHBondContact CA-O 3.37Å; L450-E475 PolarHBondContact N-O 3.12Å; L450-E475 PolarHBondContact O-N 3.42Å; H453-E475 IonicContact CE1-OE2 3.87Å; H453-E475 IonicContact NE2-OE2 3.13Å; H453-E475 PolarHBondContact NE2-OE2 3.36Å; R473-E475 IonicContact CZ-OE1 2.88Å; R473-E475 IonicContact NH2-OE1 3.37Å; R473-E475 PolarHBondContact NH2-OE1 3.45Å; E475-F477 HydrophobicContact CB-CD2 4.04Å; E475-F477 HydrophobicContact CB-CE2 3.62Å; E475-V484 CarbonylContact C-O 3.55Å; E475-V484 WeakPolarHBondContact CA-O 3.21Å; E475-V484 WeakPolarHBondContact CB-O 3.48Å; E475-N485 HydrophobicContact CG-CB 4.38Å
476	L	98.8	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.3	172.4	-174.8	71.4	0	0	0	109.7	T342 L346 F379 P447 F449 I478 Y483 V484	T342-L476 HydrophobicContact CG2-CD2 3.86Å; L346-L476 HydrophobicContact CD1-CD2 3.32Å; F379-L476 HydrophobicContact CD2-CD1 3.92Å; F379-L476 HydrophobicContact CE2-CD1 4.41Å; P447-L476 HydrophobicContact CB-CD1 4.13Å; F449-L476 HydrophobicContact CD1-CB 4.32Å; F449-L476 HydrophobicContact CD1-CD1 3.71Å; F449-L476 HydrophobicContact CE1-CB 4.35Å; F449-L476 HydrophobicContact CE1-CD1 3.68Å; F449-L476 HydrophobicContact CE1-CG 4.49Å; F449-L476 HydrophobicContact CG-CD1 4.27Å; F449-L476 HydrophobicContact CZ-CD1 4.21Å; L476-I478 HydrophobicContact CD2-CD1 4.02Å; L476-I478 HydrophobicContact CD2-CG1 4.28Å; L476-I478 HydrophobicContact CG-CD1 4.48Å; L476-I478 HydrophobicContact CG-CG1 4.2Å; L476-Y483 PolarHBondContact O-N 3.09Å; L476-V484 HydrophobicContact CB-CB 3.63Å; L476-V484 HydrophobicContact CB-CG2 3.86Å; L476-V484 HydrophobicContact CD2-CG2 4.06Å; L476-V484 PolarHBondContact N-O 3.41Å
477	F	98.5	Very high	97.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.4	172.3	-77.8	-100.2	0	0	0	111.4	E441 C444 P447 T448 L450 E475 R481 E482	E441-F477 HydrophobicContact CB-CD1 4.01Å; E441-F477 HydrophobicContact CB-CE1 3.85Å; E441-F477 HydrophobicContact CG-CD1 3.9Å; E441-F477 HydrophobicContact CG-CE1 3.35Å; E441-F477 HydrophobicContact CG-CE2 4.33Å; E441-F477 HydrophobicContact CG-CZ 3.58Å; E441-F477 WeakPolarHBondContact OE1-CZ 3.36Å; E441-F477 VanDerWaalsContact OE2-CE1 3.22Å; E441-F477 WeakPolarHBondContact OE2-CE1 3.47Å; C444-F477 HydrophobicContact CB-CB 3.48Å; C444-F477 VanDerWaalsContact CB-CB 3.48Å; C444-F477 HydrophobicContact CB-CG 4.43Å; P447-F477 WeakPolarHBondContact CA-O 3.36Å; T448-F477 PolarHBondContact N-O 3.18Å; T448-F477 PolarHBondContact O-N 2.94Å; L450-F477 HydrophobicContact CB-CD2 4.27Å; L450-F477 HydrophobicContact CB-CE2 4.46Å; L450-F477 HydrophobicContact CD1-CD2 3.52Å; L450-F477 HydrophobicContact CD1-CE2 3.6Å; L450-F477 HydrophobicContact CD1-CG 4.18Å; L450-F477 HydrophobicContact CD1-CZ 4.33Å; L450-F477 HydrophobicContact CG-CD2 3.71Å; L450-F477 HydrophobicContact CG-CE2 4.16Å; L450-F477 HydrophobicContact CG-CG 4.47Å; E475-F477 HydrophobicContact CB-CD2 4.04Å; E475-F477 HydrophobicContact CB-CE2 3.62Å; F477-R481 CarbonylContact C-O 3.59Å; F477-R481 VanDerWaalsContact CA-O 3.23Å; F477-R481 WeakPolarHBondContact CA-O 3.41Å; F477-E482 HydrophobicContact CD1-CB 4.29Å; F477-E482 HydrophobicContact CE1-CB 3.69Å; F477-E482 HydrophobicContact CE2-CB 4.16Å; F477-E482 HydrophobicContact CE2-CG 4.37Å; F477-E482 HydrophobicContact CZ-CB 3.64Å; F477-E482 HydrophobicContact CZ-CG 4.23Å
478	I	98.2	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.4	173	-43	170.9	0	0	0	107.6	I373 F375 C444 P447 L476 C480 R481 Y483 L545	I373-I478 HydrophobicContact CG2-CG2 3.53Å; F375-I478 HydrophobicContact CE1-CD1 3.83Å; F375-I478 HydrophobicContact CZ-CD1 4.11Å; F375-I478 HydrophobicContact CZ-CG2 4.43Å; C444-I478 CarbonylContact O-C 3.51Å; P447-I478 HydrophobicContact CB-CG1 4.18Å; P447-I478 HydrophobicContact CG-CD1 4.29Å; P447-I478 HydrophobicContact CG-CG1 4.14Å; P447-I478 HydrophobicContact CG-CG2 4.2Å; L476-I478 HydrophobicContact CD2-CD1 4.02Å; L476-I478 HydrophobicContact CD2-CG1 4.28Å; L476-I478 HydrophobicContact CG-CD1 4.48Å; L476-I478 HydrophobicContact CG-CG1 4.2Å; I478-C480 PolarHBondContact O-N 3Å; I478-C480 VanDerWaalsContact O-N 3.12Å; I478-R481 PolarHBondContact N-O 3.47Å; I478-R481 PolarHBondContact O-N 3.22Å; I478-Y483 HydrophobicContact CB-CD2 3.83Å; I478-Y483 HydrophobicContact CB-CE2 3.65Å; I478-Y483 HydrophobicContact CD1-CD2 4.03Å; I478-Y483 HydrophobicContact CD1-CE2 4.45Å; I478-Y483 HydrophobicContact CD1-CG 4.13Å; I478-Y483 HydrophobicContact CG1-CD2 3.84Å; I478-Y483 HydrophobicContact CG1-CE2 4.19Å; I478-Y483 HydrophobicContact CG1-CG 4.41Å; I478-Y483 WeakPolarHBondContact O-CE2 3.3Å; I478-L545 HydrophobicContact CB-CD2 4.07Å; I478-L545 HydrophobicContact CD1-CD2 3.77Å; I478-L545 HydrophobicContact CG2-CD1 4.36Å; I478-L545 HydrophobicContact CG2-CD2 3.8Å
479	A	96.6	Very high	97.9	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	40.2	-179.1	0	0	0	0	0	113	Y361 I363 I373 C444 V445 R481 L545	Y361-A479 HydrophobicContact CD1-CB 3.59Å; Y361-A479 HydrophobicContact CE1-CB 3.63Å; I363-A479 HydrophobicContact CD1-CB 4Å; I363-A479 HydrophobicContact CG1-CB 3.96Å; I373-A479 HydrophobicContact CD1-CB 4.16Å; C444-A479 PolarHBondContact O-N 2.83Å; C444-A479 VanDerWaalsContact O-N 3.08Å; V445-A479 PolarHBondContact O-N 2.96Å; A479-R481 VanDerWaalsContact C-N 3.29Å; A479-R481 PolarHBondContact O-N 3.03Å; A479-L545 HydrophobicContact CB-CD1 4.36Å
480	C	95.1	Very high	98.1	Very high	28 Å²	28	16.8 Å²	16.8	19%	0.189	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	23.7	-179.8	-35.7	0	0	0	0	115.1	E441 V442 C444 I478	E441-C480 WeakPolarHBondContact O-CA 3.5Å; V442-C480 PolarHBondContact O-SG 2.83Å; C444-C480 PolarHBondContact O-N 3.25Å; I478-C480 PolarHBondContact O-N 3Å; I478-C480 VanDerWaalsContact O-N 3.12Å
481	R	95.1	Very high	98.1	Very high	127 Å²	127	18 Å²	18	48%	0.479	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	178.8	-59.5	-65	-179.5	-170.3	-0.6	110.9	F477 I478 A479 Y483	F477-R481 CarbonylContact C-O 3.59Å; F477-R481 VanDerWaalsContact CA-O 3.23Å; F477-R481 WeakPolarHBondContact CA-O 3.41Å; I478-R481 PolarHBondContact N-O 3.47Å; I478-R481 PolarHBondContact O-N 3.22Å; A479-R481 VanDerWaalsContact C-N 3.29Å; A479-R481 PolarHBondContact O-N 3.03Å; R481-Y483 HydrophobicContact CB-CE2 3.88Å; R481-Y483 WeakPolarHBondContact O-CD2 3.45Å; R481-Y483 WeakPolarHBondContact O-CE2 3.19Å
482	E	97.4	Very high	98.1	Very high	56 Å²	56	20.9 Å²	20.9	26%	0.262	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.8	174.9	-178.7	-140.3	162.3	0	0	110.5	F477 R541	F477-E482 HydrophobicContact CD1-CB 4.29Å; F477-E482 HydrophobicContact CE1-CB 3.69Å; F477-E482 HydrophobicContact CE2-CB 4.16Å; F477-E482 HydrophobicContact CE2-CG 4.37Å; F477-E482 HydrophobicContact CZ-CB 3.64Å; F477-E482 HydrophobicContact CZ-CG 4.23Å; E482-R541 WeakPolarHBondContact O-CD 3.24Å; E482-R541 PolarHBondContact O-NH1 3.38Å; E482-R541 IonicContact OE2-CZ 3.31Å; E482-R541 IonicContact OE2-NH1 2.84Å; E482-R541 PolarHBondContact OE2-NH1 3.46Å
483	Y	98.2	Very high	98.1	Very high	7 Å²	7	22 Å²	22	3%	0.027	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-31.6	174.8	-71.4	-101.7	0	0	0	112.4	L476 I478 R481 L537 G538 R541 L542 L545	L476-Y483 PolarHBondContact O-N 3.09Å; I478-Y483 HydrophobicContact CB-CD2 3.83Å; I478-Y483 HydrophobicContact CB-CE2 3.65Å; I478-Y483 HydrophobicContact CD1-CD2 4.03Å; I478-Y483 HydrophobicContact CD1-CE2 4.45Å; I478-Y483 HydrophobicContact CD1-CG 4.13Å; I478-Y483 HydrophobicContact CG1-CD2 3.84Å; I478-Y483 HydrophobicContact CG1-CE2 4.19Å; I478-Y483 HydrophobicContact CG1-CG 4.41Å; I478-Y483 WeakPolarHBondContact O-CE2 3.3Å; R481-Y483 HydrophobicContact CB-CE2 3.88Å; R481-Y483 WeakPolarHBondContact O-CD2 3.45Å; R481-Y483 WeakPolarHBondContact O-CE2 3.19Å; Y483-L537 WeakPolarHBondContact O-CA 3.34Å; Y483-L537 WeakPolarHBondContact O-CD1 3.43Å; Y483-G538 PolarHBondContact O-N 2.88Å; Y483-R541 HydrophobicContact CD1-CB 4.06Å; Y483-R541 HydrophobicContact CE1-CB 3.98Å; Y483-R541 VanDerWaalsContact CE1-O 3.25Å; Y483-R541 WeakPolarHBondContact CE1-O 3.5Å; Y483-L542 HydrophobicContact CD1-CB 4.3Å; Y483-L542 HydrophobicContact CD1-CD1 4.49Å; Y483-L545 HydrophobicContact CD1-CD2 4.46Å; Y483-L545 HydrophobicContact CE1-CB 3.68Å; Y483-L545 HydrophobicContact CE1-CD2 3.74Å; Y483-L545 HydrophobicContact CE1-CG 4.32Å; Y483-L545 HydrophobicContact CE2-CD2 4.48Å; Y483-L545 WeakPolarHBondContact OH-CB 3.48Å
484	V	98.6	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	-173	175.6	0	0	0	0	109.1	F474 E475 L476 A486 Y535 G536 L537	F474-V484 HydrophobicContact CE2-CG1 3.89Å; E475-V484 CarbonylContact C-O 3.55Å; E475-V484 WeakPolarHBondContact CA-O 3.21Å; E475-V484 WeakPolarHBondContact CB-O 3.48Å; L476-V484 HydrophobicContact CB-CB 3.63Å; L476-V484 HydrophobicContact CB-CG2 3.86Å; L476-V484 HydrophobicContact CD2-CG2 4.06Å; L476-V484 PolarHBondContact N-O 3.41Å; V484-A486 HydrophobicContact CG1-CB 4.21Å; V484-Y535 HydrophobicContact CG1-CD1 4.26Å; V484-Y535 HydrophobicContact CG1-CD2 3.93Å; V484-Y535 HydrophobicContact CG1-CE1 3.71Å; V484-Y535 HydrophobicContact CG1-CE2 3.3Å; V484-Y535 HydrophobicContact CG1-CG 4.38Å; V484-Y535 WeakPolarHBondContact CG1-OH 3.34Å; V484-Y535 HydrophobicContact CG2-CE1 4.07Å; V484-Y535 WeakPolarHBondContact CG2-OH 3.28Å; V484-G536 CarbonylContact C-O 3.59Å; V484-G536 WeakPolarHBondContact CA-O 3.33Å; V484-L537 HydrophobicContact CG2-CB 4.47Å; V484-L537 HydrophobicContact CG2-CD1 3.65Å
485	N	98.5	Very high	97.9	Very high	41 Å²	41	24.5 Å²	24.5	22%	0.219	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130	162.9	178.4	33.3	0	0	0	108.4	R473 E475 G536	R473-N485 PolarHBondContact NE-OD1 3.11Å; E475-N485 HydrophobicContact CG-CB 4.38Å; N485-G536 PolarHBondContact N-O 3.19Å; N485-G536 PolarHBondContact O-N 2.99Å
486	A	98.8	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	149.7	-174.1	0	0	0	0	0	111.9	L338 R473 F474 V484 G534 Y535	L338-A486 HydrophobicContact CD1-CB 4.03Å; R473-A486 CarbonylContact C-O 3.51Å; R473-A486 WeakPolarHBondContact CA-O 3.36Å; F474-A486 HydrophobicContact CD1-CB 4.2Å; F474-A486 HydrophobicContact CD2-CB 4.38Å; F474-A486 HydrophobicContact CE1-CB 3.61Å; F474-A486 HydrophobicContact CE2-CB 3.83Å; F474-A486 HydrophobicContact CZ-CB 3.42Å; F474-A486 VanDerWaalsContact CZ-CB 3.42Å; F474-A486 PolarHBondContact N-O 2.92Å; F474-A486 PolarHBondContact O-N 3.13Å; F474-A486 VanDerWaalsContact O-O 3.08Å; V484-A486 HydrophobicContact CG1-CB 4.21Å; A486-G534 VanDerWaalsContact CA-O 3.28Å; A486-G534 WeakPolarHBondContact CA-O 3.28Å; A486-G534 WeakPolarHBondContact CB-O 3.4Å; A486-Y535 HydrophobicContact CB-CD2 3.49Å; A486-Y535 VanDerWaalsContact CB-CD2 3.49Å; A486-Y535 HydrophobicContact CB-CE2 4.13Å; A486-Y535 HydrophobicContact CB-CG 4.14Å
487	Y	98.7	Very high	97.8	Very high	20 Å²	20	26 Å²	26	8%	0.078	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	160.7	-179.8	35.1	-92.6	0	0	0	113.2	E289 L460 A461 E472 R473 E489 A533 G534	E289-Y487 WeakPolarHBondContact OE1-CE2 3.36Å; E289-Y487 PolarHBondContact OE1-OH 3.08Å; E289-Y487 PolarHBondContact OE2-OH 2.73Å; L460-Y487 HydrophobicContact CB-CE2 4.17Å; A461-Y487 HydrophobicContact CB-CD1 4.23Å; A461-Y487 HydrophobicContact CB-CD2 3.88Å; A461-Y487 HydrophobicContact CB-CG 3.68Å; E472-Y487 CarbonylContact O-C 3.41Å; E472-Y487 WeakPolarHBondContact O-CA 3.31Å; E472-Y487 VanDerWaalsContact O-CB 3.24Å; E472-Y487 WeakPolarHBondContact O-CB 3.32Å; R473-Y487 HydrophobicContact CG-CD1 4.07Å; Y487-E489 WeakPolarHBondContact CD2-OE1 3.39Å; Y487-E489 VanDerWaalsContact CE2-OE1 3.24Å; Y487-E489 WeakPolarHBondContact CE2-OE1 3.12Å; Y487-E489 WeakPolarHBondContact CE2-OE2 3.38Å; Y487-E489 PolarHBondContact O-N 3.35Å; Y487-A533 VanDerWaalsContact O-CA 3.3Å; Y487-A533 WeakPolarHBondContact O-CA 3.32Å; Y487-G534 PolarHBondContact N-O 2.63Å; Y487-G534 VanDerWaalsContact N-O 3.08Å; Y487-G534 PolarHBondContact O-N 3.49Å
488	T	98.9	Very high	97.6	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126	159.1	-51.6	0	0	0	0	107.5	D334 Y335 K462 E472	D334-T488 HydrophobicContact CB-CG2 4.41Å; Y335-T488 PolarHBondContact N-OG1 3.25Å; Y335-T488 VanDerWaalsContact N-OG1 3.13Å; K462-T488 HydrophobicContact CB-CG2 4.18Å; K462-T488 VanDerWaalsContact CB-O 3.28Å; K462-T488 WeakPolarHBondContact CB-O 3.05Å; K462-T488 HydrophobicContact CD-CG2 4.05Å; K462-T488 PolarHBondContact N-O 3.5Å; E472-T488 WeakPolarHBondContact CB-OG1 3.46Å; E472-T488 PolarHBondContact O-N 3.28Å; E472-T488 WeakPolarHBondContact OE2-CB 3.18Å; E472-T488 PolarHBondContact OE2-OG1 2.88Å
489	E	98.7	Very high	97.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-73.2	133.5	-171.7	-63	-56.6	138.7	0	0	112.1	K293 Y329 Y487 N491 L529 T532 G534	K293-E489 HydrophobicContact CD-CB 4.23Å; K293-E489 HydrophobicContact CD-CG 4.13Å; K293-E489 VanDerWaalsContact CD-OE2 3.3Å; K293-E489 WeakPolarHBondContact CD-OE2 3.44Å; K293-E489 WeakPolarHBondContact CE-OE2 3.39Å; K293-E489 IonicContact NZ-OE2 3.4Å; K293-E489 PolarHBondContact NZ-OE2 3.07Å; Y329-E489 HydrophobicContact CD1-CG 4.06Å; Y329-E489 VanDerWaalsContact CE1-CD 3.49Å; Y329-E489 HydrophobicContact CE1-CG 4.01Å; Y329-E489 WeakPolarHBondContact CE1-OE1 3.42Å; Y487-E489 WeakPolarHBondContact CD2-OE1 3.39Å; Y487-E489 VanDerWaalsContact CE2-OE1 3.24Å; Y487-E489 WeakPolarHBondContact CE2-OE1 3.12Å; Y487-E489 WeakPolarHBondContact CE2-OE2 3.38Å; Y487-E489 PolarHBondContact O-N 3.35Å; E489-N491 PolarHBondContact O-N 3.27Å; E489-N491 VanDerWaalsContact O-N 3.13Å; E489-L529 HydrophobicContact CB-CD2 4.37Å; E489-T532 WeakPolarHBondContact CB-O 3.47Å; E489-T532 HydrophobicContact CG-CG2 4Å; E489-T532 WeakPolarHBondContact CG-O 3.36Å; E489-T532 PolarHBondContact N-O 3.26Å; E489-G534 WeakPolarHBondContact OE1-CA 3.5Å; E489-G534 PolarHBondContact OE1-N 3.43Å
490	L	98.5	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.			trans	-65.6	113.3	169.5	179.5	58.3	0	0	0	109.2	L460 W463 D492 V495 Q496	L460-L490 WeakPolarHBondContact O-CB 3.3Å; L460-L490 PolarHBondContact O-N 3.23Å; W463-L490 HydrophobicContact CE3-CD1 4.04Å; W463-L490 HydrophobicContact CZ3-CD1 3.62Å; L490-D492 HydrophobicContact CD1-CB 4.25Å; L490-V495 HydrophobicContact CD1-CB 4.27Å; L490-V495 HydrophobicContact CD1-CG1 4.13Å; L490-V495 HydrophobicContact CD2-CG1 4.15Å; L490-Q496 HydrophobicContact CD2-CB 3.92Å; L490-Q496 HydrophobicContact CD2-CG 4.5Å; L490-Q496 HydrophobicContact CG-CB 4.26Å
491	N	98.4	Very high	97.2	Very high	32 Å²	32	36.2 Å²	36.2	17%	0.171	18%	0.178	C	C	.	.			trans	-118.1	9.1	-177.9	75.7	-36.3	0	0	0	113.4	K462 E489 P493 L529	K462-N491 WeakPolarHBondContact CE-OD1 3.49Å; K462-N491 PolarHBondContact NZ-OD1 3.17Å; E489-N491 PolarHBondContact O-N 3.27Å; E489-N491 VanDerWaalsContact O-N 3.13Å; N491-P493 WeakPolarHBondContact O-CD 3.38Å; N491-L529 HydrophobicContact CB-CB 3.98Å; N491-L529 HydrophobicContact CB-CD2 3.87Å; N491-L529 HydrophobicContact CB-CG 3.96Å; N491-L529 PolarHBondContact ND2-O 2.69Å
492	D	98.5	Very high	96.9	Very high	59 Å²	59	33.2 Å²	33.2	32%	0.316	17%	0.17	S	C	.	.			trans	-89.2	111.9	169.7	-171.6	-41.3	0	0	0	109.2	W463 L490 A494 V495 Q496	W463-D492 HydrophobicContact CH2-CB 4.01Å; W463-D492 HydrophobicContact CZ3-CB 4.16Å; L490-D492 HydrophobicContact CD1-CB 4.25Å; D492-A494 VanDerWaalsContact C-N 3.3Å; D492-A494 PolarHBondContact O-N 2.99Å; D492-A494 WeakPolarHBondContact OD1-CB 3.4Å; D492-A494 PolarHBondContact OD1-N 3.01Å; D492-V495 HydrophobicContact CB-CB 4.17Å; D492-V495 HydrophobicContact CB-CG2 4.11Å; D492-V495 PolarHBondContact OD1-N 2.94Å; D492-Q496 WeakPolarHBondContact O-CB 3.38Å; D492-Q496 PolarHBondContact O-N 3.35Å
493	P	98.1	Very high	96.5	Very high	31 Å²	31	31.5 Å²	31.5	20%	0.201	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-29.1	-176.4	25.2	-33.6	0	0	0	113.5	N491 R497 L525 E526	N491-P493 WeakPolarHBondContact O-CD 3.38Å; P493-R497 WeakPolarHBondContact O-CB 3.35Å; P493-R497 PolarHBondContact O-N 3.45Å; P493-R497 VanDerWaalsContact O-N 3.1Å; P493-R497 PolarHBondContact O-NH1 3.49Å; P493-L525 HydrophobicContact CB-CB 3.84Å; P493-E526 HydrophobicContact CB-CG 3.7Å; P493-E526 HydrophobicContact CG-CG 3.97Å
494	A	97.8	Very high	96.1	Very high	50 Å²	50	32.4 Å²	32.4	41%	0.413	17%	0.171	S	C	.	.	H	α-helix	trans	-70.7	-49.8	-179.9	0	0	0	0	0	110.1	D492 Q496 R497 E498	D492-A494 VanDerWaalsContact C-N 3.3Å; D492-A494 PolarHBondContact O-N 2.99Å; D492-A494 WeakPolarHBondContact OD1-CB 3.4Å; D492-A494 PolarHBondContact OD1-N 3.01Å; A494-Q496 VanDerWaalsContact C-N 3.35Å; A494-Q496 PolarHBondContact O-N 3.06Å; A494-R497 PolarHBondContact O-N 3.34Å; A494-E498 WeakPolarHBondContact O-CG 3.21Å; A494-E498 PolarHBondContact O-N 3.02Å
495	V	96.8	Very high	95.6	Very high	29 Å²	29	38.2 Å²	38.2	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-41.7	177.1	-179.5	0	0	0	0	111	W463 L490 D492 R497 E498 H499	W463-V495 HydrophobicContact CZ3-CB 4.32Å; W463-V495 HydrophobicContact CZ3-CG1 4.22Å; W463-V495 HydrophobicContact CZ3-CG2 4.04Å; L490-V495 HydrophobicContact CD1-CB 4.27Å; L490-V495 HydrophobicContact CD1-CG1 4.13Å; L490-V495 HydrophobicContact CD2-CG1 4.15Å; D492-V495 HydrophobicContact CB-CB 4.17Å; D492-V495 HydrophobicContact CB-CG2 4.11Å; D492-V495 PolarHBondContact OD1-N 2.94Å; V495-R497 VanDerWaalsContact C-N 3.28Å; V495-R497 PolarHBondContact O-N 3.3Å; V495-E498 WeakPolarHBondContact O-CB 3.01Å; V495-E498 PolarHBondContact O-N 2.86Å; V495-H499 PolarHBondContact O-CD2 3.45Å; V495-H499 PolarHBondContact O-N 3.16Å
496	Q	97.8	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-39.2	177.6	-177	63.3	87.7	0	0	112.3	P459 L490 D492 A494 H499 F500 Y521 L525	P459-Q496 PolarHBondContact O-NE2 3.4Å; L490-Q496 HydrophobicContact CD2-CB 3.92Å; L490-Q496 HydrophobicContact CD2-CG 4.5Å; L490-Q496 HydrophobicContact CG-CB 4.26Å; D492-Q496 WeakPolarHBondContact O-CB 3.38Å; D492-Q496 PolarHBondContact O-N 3.35Å; A494-Q496 VanDerWaalsContact C-N 3.35Å; A494-Q496 PolarHBondContact O-N 3.06Å; Q496-H499 PolarHBondContact O-N 3.14Å; Q496-F500 HydrophobicContact CG-CD2 4.2Å; Q496-F500 HydrophobicContact CG-CE2 3.86Å; Q496-F500 HydrophobicContact CG-CZ 4.39Å; Q496-F500 PolarHBondContact O-N 2.88Å; Q496-Y521 HydrophobicContact CG-CD1 4.47Å; Q496-Y521 HydrophobicContact CG-CE1 3.85Å; Q496-L525 HydrophobicContact CB-CD1 3.79Å; Q496-L525 HydrophobicContact CG-CD1 3.72Å
497	R	97.1	Very high	94.4	Very high	52 Å²	52	41.7 Å²	41.7	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-43.8	176.5	-172.9	174.9	-72.4	107.7	-10.2	111.2	P493 A494 V495 H499 F500 E501 E519 E526	P493-R497 WeakPolarHBondContact O-CB 3.35Å; P493-R497 PolarHBondContact O-N 3.45Å; P493-R497 VanDerWaalsContact O-N 3.1Å; P493-R497 PolarHBondContact O-NH1 3.49Å; A494-R497 PolarHBondContact O-N 3.34Å; V495-R497 VanDerWaalsContact C-N 3.28Å; V495-R497 PolarHBondContact O-N 3.3Å; R497-H499 VanDerWaalsContact C-N 3.29Å; R497-H499 PolarHBondContact O-N 2.84Å; R497-F500 PolarHBondContact O-N 3.49Å; R497-E501 WeakPolarHBondContact O-CG 3.36Å; R497-E501 PolarHBondContact O-N 3.06Å; R497-E519 IonicContact CZ-OE2 3.19Å; R497-E519 IonicContact NE-OE1 3.23Å; R497-E519 IonicContact NE-OE2 3.67Å; R497-E519 PolarHBondContact NE-OE2 3.48Å; R497-E519 IonicContact NH2-OE2 3.57Å; R497-E519 PolarHBondContact NH2-OE2 2.93Å; R497-E526 IonicContact CZ-OE1 3.33Å; R497-E526 IonicContact NH1-OE1 3.94Å; R497-E526 PolarHBondContact NH1-OE1 3.11Å; R497-E526 IonicContact NH2-OE1 2.63Å; R497-E526 PolarHBondContact NH2-OE1 2.8Å
498	E	95	Very high	93.8	Very high	125 Å²	125	45.2 Å²	45.2	58%	0.584	25%	0.245	S	C	*	.	H	α-helix	trans	-57.5	-41.4	173.5	-69.1	175.4	-171.8	0	0	111.8	A494 V495 E501 Q502	A494-E498 WeakPolarHBondContact O-CG 3.21Å; A494-E498 PolarHBondContact O-N 3.02Å; V495-E498 WeakPolarHBondContact O-CB 3.01Å; V495-E498 PolarHBondContact O-N 2.86Å; E498-E501 PolarHBondContact O-N 2.99Å; E498-Q502 PolarHBondContact O-N 3.31Å
499	H	93.8	Very high	93.1	Very high	32 Å²	32	49 Å²	49	15%	0.148	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-42.8	176.2	-72.1	-170.9	0	0	0	112.3	E455 P459 V495 Q496 R497 Q502 Q503	E455-H499 IonicContact OE1-CE1 3.72Å; E455-H499 PolarHBondContact OE1-CE1 2.95Å; E455-H499 IonicContact OE1-NE2 3.65Å; E455-H499 PolarHBondContact OE1-NE2 3.03Å; P459-H499 HydrophobicContact CB-CB 4.47Å; P459-H499 PolarHBondContact O-ND1 3.1Å; V495-H499 PolarHBondContact O-CD2 3.45Å; V495-H499 PolarHBondContact O-N 3.16Å; Q496-H499 PolarHBondContact O-N 3.14Å; R497-H499 VanDerWaalsContact C-N 3.29Å; R497-H499 PolarHBondContact O-N 2.84Å; H499-Q502 PolarHBondContact O-N 3.46Å; H499-Q503 WeakPolarHBondContact O-CG 3.13Å; H499-Q503 PolarHBondContact O-N 3.03Å
500	F	94.3	Very high	92.4	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-38.9	175.1	-76.8	-40.3	0	0	0	112.9	L460 Q496 R497 Q502 Q503 A504 I517 D518 Y521	L460-F500 HydrophobicContact CD2-CE1 4.08Å; L460-F500 HydrophobicContact CD2-CZ 4.17Å; Q496-F500 HydrophobicContact CG-CD2 4.2Å; Q496-F500 HydrophobicContact CG-CE2 3.86Å; Q496-F500 HydrophobicContact CG-CZ 4.39Å; Q496-F500 PolarHBondContact O-N 2.88Å; R497-F500 PolarHBondContact O-N 3.49Å; F500-Q502 VanDerWaalsContact C-N 3.27Å; F500-Q502 PolarHBondContact O-N 2.82Å; F500-Q503 PolarHBondContact O-N 2.87Å; F500-A504 WeakPolarHBondContact O-CB 3.49Å; F500-A504 PolarHBondContact O-N 3.47Å; F500-I517 HydrophobicContact CB-CB 4.27Å; F500-I517 HydrophobicContact CB-CG1 4.03Å; F500-I517 HydrophobicContact CB-CG2 4.19Å; F500-D518 HydrophobicContact CE2-CB 4.45Å; F500-D518 HydrophobicContact CZ-CB 4.5Å; F500-Y521 AromaticContact CE2-CD1 3.73Å; F500-Y521 HydrophobicContact CE2-CD1 3.73Å; F500-Y521 HydrophobicContact CE2-CE1 4.21Å; F500-Y521 AromaticContact CZ-CD1 3.82Å; F500-Y521 HydrophobicContact CZ-CD1 3.82Å; F500-Y521 HydrophobicContact CZ-CE1 4.14Å
501	E	93.2	Very high	91.6	Very high	88 Å²	88	52.2 Å²	52.2	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-40.4	173.7	-72.8	178.2	-173.5	0	0	111.3	R497 E498 A504 K505 I517	R497-E501 WeakPolarHBondContact O-CG 3.36Å; R497-E501 PolarHBondContact O-N 3.06Å; E498-E501 PolarHBondContact O-N 2.99Å; E501-A504 PolarHBondContact O-N 3.48Å; E501-K505 VanDerWaalsContact O-CG 3.32Å; E501-K505 WeakPolarHBondContact O-CG 3.42Å; E501-K505 PolarHBondContact O-N 2.6Å; E501-I517 HydrophobicContact CG-CD1 4.16Å
502	Q	88.6	Confident	90.9	Very high	65 Å²	65	55 Å²	55	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-41.9	175.5	-171.7	55.9	50.2	0	0	112.3	E498 H499 F500 A504 K505 N506	E498-Q502 PolarHBondContact O-N 3.31Å; H499-Q502 PolarHBondContact O-N 3.46Å; F500-Q502 VanDerWaalsContact C-N 3.27Å; F500-Q502 PolarHBondContact O-N 2.82Å; Q502-A504 VanDerWaalsContact C-N 3.34Å; Q502-A504 PolarHBondContact O-N 2.88Å; Q502-K505 WeakPolarHBondContact O-CB 3.31Å; Q502-K505 PolarHBondContact O-N 3Å; Q502-N506 PolarHBondContact NE2-OD1 3.23Å; Q502-N506 VanDerWaalsContact O-CG 3.25Å; Q502-N506 PolarHBondContact O-N 2.96Å; Q502-N506 PolarHBondContact O-OD1 3.38Å
503	Q	89.5	Confident	90.2	Very high	19 Å²	19	55.7 Å²	55.7	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.2	-71.6	-70.1	-48	0	0	111.7	P459 H499 F500 K505 N506 K507 A514 Q515	P459-Q503 HydrophobicContact CB-CG 4Å; P459-Q503 HydrophobicContact CG-CG 4.41Å; H499-Q503 WeakPolarHBondContact O-CG 3.13Å; H499-Q503 PolarHBondContact O-N 3.03Å; F500-Q503 PolarHBondContact O-N 2.87Å; Q503-K505 VanDerWaalsContact C-N 3.34Å; Q503-K505 PolarHBondContact O-N 3.05Å; Q503-N506 WeakPolarHBondContact O-CB 3.28Å; Q503-N506 PolarHBondContact O-N 3.17Å; Q503-K507 PolarHBondContact O-N 2.84Å; Q503-A514 WeakPolarHBondContact O-CB 3.43Å; Q503-Q515 CarbonylContact C-O 3.6Å; Q503-Q515 HydrophobicContact CB-CB 4.35Å; Q503-Q515 WeakPolarHBondContact CB-O 3.43Å
504	A	89.3	Confident	89.6	Confident	27 Å²	27	54.3 Å²	54.3	22%	0.223	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-37.7	175.6	0	0	0	0	0	112.4	F500 E501 Q502 K507 A508 I517	F500-A504 WeakPolarHBondContact O-CB 3.49Å; F500-A504 PolarHBondContact O-N 3.47Å; E501-A504 PolarHBondContact O-N 3.48Å; Q502-A504 VanDerWaalsContact C-N 3.34Å; Q502-A504 PolarHBondContact O-N 2.88Å; A504-K507 PolarHBondContact O-N 2.85Å; A504-A508 WeakPolarHBondContact O-CB 3.23Å; A504-A508 PolarHBondContact O-N 3.43Å; A504-I517 HydrophobicContact CB-CD1 4.23Å; A504-I517 HydrophobicContact CB-CG1 3.96Å
505	K	88.2	Confident	89	Confident	121 Å²	121	52.3 Å²	52.3	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-43.7	171.6	-71.5	168.5	-169.4	164	0	111.7	E501 Q502 Q503 K507 A508 A509	E501-K505 VanDerWaalsContact O-CG 3.32Å; E501-K505 WeakPolarHBondContact O-CG 3.42Å; E501-K505 PolarHBondContact O-N 2.6Å; Q502-K505 WeakPolarHBondContact O-CB 3.31Å; Q502-K505 PolarHBondContact O-N 3Å; Q503-K505 VanDerWaalsContact C-N 3.34Å; Q503-K505 PolarHBondContact O-N 3.05Å; K505-K507 VanDerWaalsContact C-N 3.33Å; K505-K507 PolarHBondContact O-N 2.77Å; K505-A508 PolarHBondContact O-N 3.12Å; K505-A509 PolarHBondContact O-N 2.96Å
506	N	84.4	Confident	88.6	Confident	49 Å²	49	54 Å²	54	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.6	-64.7	-10.7	0	0	0	111.2	Q502 Q503 A509 G510 D511 A514	Q502-N506 PolarHBondContact NE2-OD1 3.23Å; Q502-N506 VanDerWaalsContact O-CG 3.25Å; Q502-N506 PolarHBondContact O-N 2.96Å; Q502-N506 PolarHBondContact O-OD1 3.38Å; Q503-N506 WeakPolarHBondContact O-CB 3.28Å; Q503-N506 PolarHBondContact O-N 3.17Å; N506-A509 CarbonylContact O-C 3.52Å; N506-A509 WeakPolarHBondContact O-CA 3.45Å; N506-A509 WeakPolarHBondContact O-CB 3.38Å; N506-A509 PolarHBondContact O-N 2.99Å; N506-A509 VanDerWaalsContact O-N 3.07Å; N506-G510 PolarHBondContact O-N 3.43Å; N506-D511 HydrophobicContact CB-CB 4.34Å; N506-D511 WeakPolarHBondContact O-CB 3.34Å; N506-D511 PolarHBondContact O-N 3.27Å; N506-D511 VanDerWaalsContact O-N 3.13Å; N506-A514 HydrophobicContact CB-CB 4.21Å
507	K	86.2	Confident	88.4	Confident	66 Å²	66	56.7 Å²	56.7	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-46.3	174.8	-163.2	-179.6	-163.2	117.2	0	112.2	Q503 A504 K505 A509 G510 D511 A514 L516	Q503-K507 PolarHBondContact O-N 2.84Å; A504-K507 PolarHBondContact O-N 2.85Å; K505-K507 VanDerWaalsContact C-N 3.33Å; K505-K507 PolarHBondContact O-N 2.77Å; K507-A509 PolarHBondContact O-N 2.83Å; K507-G510 PolarHBondContact O-N 3.41Å; K507-D511 WeakPolarHBondContact CA-O 3.35Å; K507-A514 HydrophobicContact CB-CB 3.94Å; K507-A514 PolarHBondContact NZ-O 3.35Å; K507-L516 HydrophobicContact CD-CD2 3.52Å; K507-L516 HydrophobicContact CD-CG 4.11Å
508	A	87.2	Confident	88.3	Confident	93 Å²	93	55.3 Å²	55.3	77%	0.769	31%	0.313	S	S	*	.	H	α-helix	trans	-62.6	-24.9	175.5	0	0	0	0	0	112.9	A504 K505 G510	A504-A508 WeakPolarHBondContact O-CB 3.23Å; A504-A508 PolarHBondContact O-N 3.43Å; K505-A508 PolarHBondContact O-N 3.12Å; A508-G510 VanDerWaalsContact C-N 3.3Å
509	A	84.3	Confident	88.4	Confident	88 Å²	88	53.4 Å²	53.4	73%	0.727	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	3.4	173.5	0	0	0	0	0	114.1	K505 N506 K507	K505-A509 PolarHBondContact O-N 2.96Å; N506-A509 CarbonylContact O-C 3.52Å; N506-A509 WeakPolarHBondContact O-CA 3.45Å; N506-A509 WeakPolarHBondContact O-CB 3.38Å; N506-A509 PolarHBondContact O-N 2.99Å; N506-A509 VanDerWaalsContact O-N 3.07Å; K507-A509 PolarHBondContact O-N 2.83Å
510	G	83	Confident	88.5	Confident	48 Å²	48	57.1 Å²	57.1	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	9.7	173.9	0	0	0	0	0	115.5	N506 K507 A508 D512	N506-G510 PolarHBondContact O-N 3.43Å; K507-G510 PolarHBondContact O-N 3.41Å; A508-G510 VanDerWaalsContact C-N 3.3Å; G510-D512 PolarHBondContact O-N 2.94Å
511	D	81.7	Confident	88.7	Confident	22 Å²	22	57.1 Å²	57.1	12%	0.118	33%	0.325	C	S	.	.			trans	-81.2	90.3	172	-166.7	-10.2	0	0	0	111	N506 K507 E513 A514	N506-D511 HydrophobicContact CB-CB 4.34Å; N506-D511 WeakPolarHBondContact O-CB 3.34Å; N506-D511 PolarHBondContact O-N 3.27Å; N506-D511 VanDerWaalsContact O-N 3.13Å; K507-D511 WeakPolarHBondContact CA-O 3.35Å; D511-E513 PolarHBondContact O-N 3.4Å; D511-E513 VanDerWaalsContact O-N 3.09Å; D511-E513 PolarHBondContact OD1-N 3.34Å; D511-A514 HydrophobicContact CB-CB 4.02Å; D511-A514 WeakPolarHBondContact O-CB 3.3Å; D511-A514 PolarHBondContact O-N 3.22Å; D511-A514 VanDerWaalsContact O-N 3.13Å
512	D	83.4	Confident	88.9	Confident	91 Å²	91	52.9 Å²	52.9	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20	-178.8	-85.7	7	0	0	0	113.8	K269 G510	K269-D512 IonicContact NZ-OD2 3.25Å; K269-D512 PolarHBondContact NZ-OD2 2.8Å; G510-D512 PolarHBondContact O-N 2.94Å
513	E	84.8	Confident	89.4	Confident	73 Å²	73	52.6 Å²	52.6	34%	0.341	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-14.2	-177.3	-63.9	173.9	177.6	0	0	112.6	T267 A268 D511	T267-E513 CarbonylContact C-O 3.5Å; T267-E513 WeakPolarHBondContact CA-O 3.38Å; T267-E513 HydrophobicContact CG2-CB 3.96Å; T267-E513 VanDerWaalsContact CG2-O 3.26Å; T267-E513 WeakPolarHBondContact CG2-O 3.41Å; A268-E513 PolarHBondContact N-O 3.37Å; A268-E513 VanDerWaalsContact N-O 3.16Å; D511-E513 PolarHBondContact O-N 3.4Å; D511-E513 VanDerWaalsContact O-N 3.09Å; D511-E513 PolarHBondContact OD1-N 3.34Å
514	A	84.6	Confident	89.9	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.008	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67.9	144.7	-177.7	0	0	0	0	0	112.8	Q503 N506 K507 D511	Q503-A514 WeakPolarHBondContact O-CB 3.43Å; N506-A514 HydrophobicContact CB-CB 4.21Å; K507-A514 HydrophobicContact CB-CB 3.94Å; K507-A514 PolarHBondContact NZ-O 3.35Å; D511-A514 HydrophobicContact CB-CB 4.02Å; D511-A514 WeakPolarHBondContact O-CB 3.3Å; D511-A514 PolarHBondContact O-N 3.22Å; D511-A514 VanDerWaalsContact O-N 3.13Å
515	Q	86.9	Confident	90.3	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.037	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-73.7	151.6	-175.8	-62.1	-174	56.5	0	0	111.9	G265 Q503	G265-Q515 VanDerWaalsContact N-OE1 3.08Å; Q503-Q515 CarbonylContact C-O 3.6Å; Q503-Q515 HydrophobicContact CB-CB 4.35Å; Q503-Q515 WeakPolarHBondContact CB-O 3.43Å
516	L	88.2	Confident	90.8	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.335	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-88.7	165.9	170	-69.7	172.4	0	0	0	110.1	I262 K507 D518	I262-L516 HydrophobicContact CG2-CB 3.75Å; I262-L516 HydrophobicContact CG2-CD1 4.13Å; K507-L516 HydrophobicContact CD-CD2 3.52Å; K507-L516 HydrophobicContact CD-CG 4.11Å; L516-D518 PolarHBondContact O-N 3.33Å
517	I	92.9	Very high	91.5	Very high	58 Å²	58	57.6 Å²	57.6	30%	0.297	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-73	119.4	173.2	-50.8	174.4	0	0	0	109	F500 E501 A504 E519	F500-I517 HydrophobicContact CB-CB 4.27Å; F500-I517 HydrophobicContact CB-CG1 4.03Å; F500-I517 HydrophobicContact CB-CG2 4.19Å; E501-I517 HydrophobicContact CG-CD1 4.16Å; A504-I517 HydrophobicContact CB-CD1 4.23Å; A504-I517 HydrophobicContact CB-CG1 3.96Å; I517-E519 HydrophobicContact CG2-CG 4.13Å; I517-E519 WeakPolarHBondContact CG2-OE1 3.48Å
518	D	95.5	Very high	92.1	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.118	33%	0.328	C	S	.	.			trans	-104.2	89.9	171.5	-167.9	-26.7	0	0	0	110.1	L290 F500 L516 N520 Y521 C522	L290-D518 HydrophobicContact CD1-CB 4.39Å; F500-D518 HydrophobicContact CE2-CB 4.45Å; F500-D518 HydrophobicContact CZ-CB 4.5Å; L516-D518 PolarHBondContact O-N 3.33Å; D518-N520 VanDerWaalsContact C-N 3.26Å; D518-N520 PolarHBondContact O-N 2.83Å; D518-N520 WeakPolarHBondContact OD1-CB 3.28Å; D518-N520 PolarHBondContact OD1-N 2.98Å; D518-N520 VanDerWaalsContact OD1-N 3.13Å; D518-Y521 PolarHBondContact O-N 2.92Å; D518-Y521 PolarHBondContact OD1-N 2.76Å; D518-C522 PolarHBondContact O-N 3.47Å
519	E	96.7	Very high	92.6	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-29.1	179.4	-73.7	-60.6	156.5	0	0	112.7	R497 I517 Y521 C522 T523	R497-E519 IonicContact CZ-OE2 3.19Å; R497-E519 IonicContact NE-OE1 3.23Å; R497-E519 IonicContact NE-OE2 3.67Å; R497-E519 PolarHBondContact NE-OE2 3.48Å; R497-E519 IonicContact NH2-OE2 3.57Å; R497-E519 PolarHBondContact NH2-OE2 2.93Å; I517-E519 HydrophobicContact CG2-CG 4.13Å; I517-E519 WeakPolarHBondContact CG2-OE1 3.48Å; E519-Y521 VanDerWaalsContact C-N 3.34Å; E519-C522 PolarHBondContact O-N 3.48Å; E519-T523 WeakPolarHBondContact O-CB 3.48Å; E519-T523 PolarHBondContact O-N 3.42Å; E519-T523 PolarHBondContact O-OG1 3.02Å; E519-T523 VanDerWaalsContact O-OG1 3.08Å
520	N	96.9	Very high	93.3	Very high	110 Å²	110	49.4 Å²	49.4	59%	0.588	27%	0.268	S	S	*	.	H	α-helix	trans	-66.8	-41.1	177.5	-70	-27.1	0	0	0	110.5	D518 T523 A524	D518-N520 VanDerWaalsContact C-N 3.26Å; D518-N520 PolarHBondContact O-N 2.83Å; D518-N520 WeakPolarHBondContact OD1-CB 3.28Å; D518-N520 PolarHBondContact OD1-N 2.98Å; D518-N520 VanDerWaalsContact OD1-N 3.13Å; N520-T523 PolarHBondContact O-N 2.96Å; N520-A524 PolarHBondContact O-N 3.44Å
521	Y	97.8	Very high	94.1	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-42.5	174	171.9	-106.3	0	0	0	111.7	L290 K293 M294 Q496 F500 D518 E519 T523 A524 L525	L290-Y521 HydrophobicContact CB-CD2 3.96Å; L290-Y521 HydrophobicContact CB-CE2 4.39Å; L290-Y521 HydrophobicContact CB-CG 4.28Å; L290-Y521 HydrophobicContact CD1-CG 4.41Å; L290-Y521 HydrophobicContact CD2-CD1 3.91Å; L290-Y521 HydrophobicContact CD2-CD2 4.06Å; L290-Y521 HydrophobicContact CD2-CE1 3.78Å; L290-Y521 HydrophobicContact CD2-CE2 3.96Å; L290-Y521 HydrophobicContact CD2-CG 4.04Å; L290-Y521 HydrophobicContact CG-CD2 4.49Å; L290-Y521 HydrophobicContact CG-CG 4.47Å; K293-Y521 HydrophobicContact CB-CE2 3.86Å; K293-Y521 HydrophobicContact CD-CE2 4.18Å; K293-Y521 VanDerWaalsContact CD-OH 3.24Å; K293-Y521 WeakPolarHBondContact CD-OH 3.3Å; K293-Y521 WeakPolarHBondContact CE-OH 3.24Å; K293-Y521 PolarHBondContact NZ-OH 3.11Å; K293-Y521 VanDerWaalsContact NZ-OH 3.17Å; M294-Y521 HydrophobicContact CG-CD2 4.15Å; Q496-Y521 HydrophobicContact CG-CD1 4.47Å; Q496-Y521 HydrophobicContact CG-CE1 3.85Å; F500-Y521 AromaticContact CE2-CD1 3.73Å; F500-Y521 HydrophobicContact CE2-CD1 3.73Å; F500-Y521 HydrophobicContact CE2-CE1 4.21Å; F500-Y521 AromaticContact CZ-CD1 3.82Å; F500-Y521 HydrophobicContact CZ-CD1 3.82Å; F500-Y521 HydrophobicContact CZ-CE1 4.14Å; D518-Y521 PolarHBondContact O-N 2.92Å; D518-Y521 PolarHBondContact OD1-N 2.76Å; E519-Y521 VanDerWaalsContact C-N 3.34Å; Y521-T523 VanDerWaalsContact C-N 3.35Å; Y521-T523 PolarHBondContact O-N 3.21Å; Y521-A524 WeakPolarHBondContact O-CB 3.28Å; Y521-A524 PolarHBondContact O-N 3.44Å; Y521-A524 VanDerWaalsContact O-N 3.11Å; Y521-L525 HydrophobicContact CD1-CD1 4.43Å; Y521-L525 HydrophobicContact CE1-CD1 3.75Å; Y521-L525 HydrophobicContact CE1-CG 4.17Å; Y521-L525 HydrophobicContact CE2-CD2 4.1Å; Y521-L525 HydrophobicContact CE2-CG 4.26Å; Y521-L525 PolarHBondContact O-N 3.26Å
522	C	98	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-43	173.2	-74.4	0	0	0	0	112.3	D518 E519 A524 L525 E526	D518-C522 PolarHBondContact O-N 3.47Å; E519-C522 PolarHBondContact O-N 3.48Å; C522-A524 VanDerWaalsContact C-N 3.31Å; C522-A524 PolarHBondContact O-N 2.89Å; C522-L525 WeakPolarHBondContact O-CB 3.34Å; C522-L525 PolarHBondContact O-N 2.96Å; C522-L525 VanDerWaalsContact O-N 3.15Å; C522-E526 WeakPolarHBondContact O-CG 3.12Å; C522-E526 PolarHBondContact O-N 3.21Å
523	T	98.5	Very high	95.6	Very high	58 Å²	58	45.2 Å²	45.2	36%	0.356	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-40.3	172.7	-64.4	0	0	0	0	111.6	E519 N520 Y521 L525 E526 Y527	E519-T523 WeakPolarHBondContact O-CB 3.48Å; E519-T523 PolarHBondContact O-N 3.42Å; E519-T523 PolarHBondContact O-OG1 3.02Å; E519-T523 VanDerWaalsContact O-OG1 3.08Å; N520-T523 PolarHBondContact O-N 2.96Å; Y521-T523 VanDerWaalsContact C-N 3.35Å; Y521-T523 PolarHBondContact O-N 3.21Å; T523-L525 VanDerWaalsContact C-N 3.34Å; T523-L525 PolarHBondContact O-N 3.37Å; T523-E526 WeakPolarHBondContact O-CB 3.48Å; T523-E526 PolarHBondContact O-N 3.36Å; T523-E526 VanDerWaalsContact O-N 3.13Å; T523-Y527 HydrophobicContact CG2-CD2 4.36Å; T523-Y527 HydrophobicContact CG2-CE2 4.04Å; T523-Y527 WeakPolarHBondContact O-CD2 3.35Å; T523-Y527 PolarHBondContact O-N 3.46Å
524	A	98.6	Very high	96.3	Very high	15 Å²	15	41.8 Å²	41.8	12%	0.124	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-40.3	174.7	0	0	0	0	0	112.3	M294 V297 N520 Y521 C522 E526 Y527	M294-A524 HydrophobicContact CG-CB 3.63Å; M294-A524 HydrophobicContact SD-CB 4.04Å; V297-A524 WeakPolarHBondContact CG1-O 3.43Å; N520-A524 PolarHBondContact O-N 3.44Å; Y521-A524 WeakPolarHBondContact O-CB 3.28Å; Y521-A524 PolarHBondContact O-N 3.44Å; Y521-A524 VanDerWaalsContact O-N 3.11Å; C522-A524 VanDerWaalsContact C-N 3.31Å; C522-A524 PolarHBondContact O-N 2.89Å; A524-E526 VanDerWaalsContact C-N 3.25Å; A524-E526 PolarHBondContact O-N 2.79Å; A524-Y527 WeakPolarHBondContact O-CB 3.36Å; A524-Y527 PolarHBondContact O-N 2.93Å; A524-Y527 VanDerWaalsContact O-N 3.12Å
525	L	98.6	Very high	96.9	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-33	173.6	-66.1	-175.2	0	0	0	112.5	P493 Q496 Y521 C522 T523 Y527 G528 L529	P493-L525 HydrophobicContact CB-CB 3.84Å; Q496-L525 HydrophobicContact CB-CD1 3.79Å; Q496-L525 HydrophobicContact CG-CD1 3.72Å; Y521-L525 HydrophobicContact CD1-CD1 4.43Å; Y521-L525 HydrophobicContact CE1-CD1 3.75Å; Y521-L525 HydrophobicContact CE1-CG 4.17Å; Y521-L525 HydrophobicContact CE2-CD2 4.1Å; Y521-L525 HydrophobicContact CE2-CG 4.26Å; Y521-L525 PolarHBondContact O-N 3.26Å; C522-L525 WeakPolarHBondContact O-CB 3.34Å; C522-L525 PolarHBondContact O-N 2.96Å; C522-L525 VanDerWaalsContact O-N 3.15Å; T523-L525 VanDerWaalsContact C-N 3.34Å; T523-L525 PolarHBondContact O-N 3.37Å; L525-Y527 VanDerWaalsContact C-N 3.27Å; L525-Y527 PolarHBondContact O-N 2.91Å; L525-G528 WeakPolarHBondContact O-CA 3.45Å; L525-G528 PolarHBondContact O-N 3.13Å; L525-L529 HydrophobicContact CD2-CB 3.63Å; L525-L529 HydrophobicContact CD2-CD2 3.58Å; L525-L529 HydrophobicContact CD2-CG 4.24Å
526	E	98.7	Very high	97.5	Very high	104 Å²	104	42.3 Å²	42.3	49%	0.486	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-25.8	175.5	-66.4	164.7	176	0	0	113.1	P493 R497 C522 T523 A524 G528	P493-E526 HydrophobicContact CB-CG 3.7Å; P493-E526 HydrophobicContact CG-CG 3.97Å; R497-E526 IonicContact CZ-OE1 3.33Å; R497-E526 IonicContact NH1-OE1 3.94Å; R497-E526 PolarHBondContact NH1-OE1 3.11Å; R497-E526 IonicContact NH2-OE1 2.63Å; R497-E526 PolarHBondContact NH2-OE1 2.8Å; C522-E526 WeakPolarHBondContact O-CG 3.12Å; C522-E526 PolarHBondContact O-N 3.21Å; T523-E526 WeakPolarHBondContact O-CB 3.48Å; T523-E526 PolarHBondContact O-N 3.36Å; T523-E526 VanDerWaalsContact O-N 3.13Å; A524-E526 VanDerWaalsContact C-N 3.25Å; A524-E526 PolarHBondContact O-N 2.79Å; E526-G528 PolarHBondContact O-N 3.35Å
527	Y	98.7	Very high	98	Very high	198 Å²	198	39.2 Å²	39.2	78%	0.776	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.4	168.8	-80.4	-86.6	0	0	0	113.2	T523 A524 L525	T523-Y527 HydrophobicContact CG2-CD2 4.36Å; T523-Y527 HydrophobicContact CG2-CE2 4.04Å; T523-Y527 WeakPolarHBondContact O-CD2 3.35Å; T523-Y527 PolarHBondContact O-N 3.46Å; A524-Y527 WeakPolarHBondContact O-CB 3.36Å; A524-Y527 PolarHBondContact O-N 2.93Å; A524-Y527 VanDerWaalsContact O-N 3.12Å; L525-Y527 VanDerWaalsContact C-N 3.27Å; L525-Y527 PolarHBondContact O-N 2.91Å
528	G	98.4	Very high	98.3	Very high	40 Å²	40	37.3 Å²	37.3	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	98.4	172.3	0	0	0	0	0	113	L525 E526 P530	L525-G528 WeakPolarHBondContact O-CA 3.45Å; L525-G528 PolarHBondContact O-N 3.13Å; E526-G528 PolarHBondContact O-N 3.35Å; G528-P530 WeakPolarHBondContact O-CD 3.48Å
529	L	98.8	Very high	98.4	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-80	117.5	162.8	174.2	63.6	0	0	0	108.6	K293 V296 V297 E489 N491 L525	K293-L529 HydrophobicContact CB-CD2 4.32Å; K293-L529 HydrophobicContact CD-CD2 3.88Å; K293-L529 HydrophobicContact CG-CD2 4.18Å; V296-L529 HydrophobicContact CB-CD1 3.83Å; V296-L529 HydrophobicContact CG1-CD1 3.76Å; V297-L529 HydrophobicContact CG2-CB 3.74Å; V297-L529 HydrophobicContact CG2-CD1 4.1Å; E489-L529 HydrophobicContact CB-CD2 4.37Å; N491-L529 HydrophobicContact CB-CB 3.98Å; N491-L529 HydrophobicContact CB-CD2 3.87Å; N491-L529 HydrophobicContact CB-CG 3.96Å; N491-L529 PolarHBondContact ND2-O 2.69Å; L525-L529 HydrophobicContact CD2-CB 3.63Å; L525-L529 HydrophobicContact CD2-CD2 3.58Å; L525-L529 HydrophobicContact CD2-CG 4.24Å
530	P	98.7	Very high	98.5	Very high	29 Å²	29	32.4 Å²	32.4	19%	0.188	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-52.9	157.2	171.2	-26.1	34.8	0	0	0	111.6	A331 Y332 G528 T532	A331-P530 HydrophobicContact CB-CB 4.42Å; Y332-P530 HydrophobicContact CE1-CB 4.06Å; G528-P530 WeakPolarHBondContact O-CD 3.48Å; P530-T532 WeakPolarHBondContact O-CB 3.45Å; P530-T532 PolarHBondContact O-N 2.68Å; P530-T532 PolarHBondContact O-OG1 3.49Å
531	P	98.8	Very high	98.6	Very high	73 Å²	73	29.4 Å²	29.4	47%	0.474	17%	0.165	S	C	.	.	S	Bend	trans	-50.7	117.5	168.3	-22	32.6	0	0	0	108.7	Y332	Y332-P531 VanDerWaalsContact CA-O 3.29Å; Y332-P531 WeakPolarHBondContact CA-O 3.44Å; Y332-P531 PolarHBondContact N-O 2.98Å
532	T	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.5	-168.8	-61.8	0	0	0	0	108	V296 Y329 M330 A333 E489 P530	V296-T532 HydrophobicContact CG1-CG2 4.39Å; V296-T532 HydrophobicContact CG2-CG2 4.47Å; Y329-T532 HydrophobicContact CD1-CG2 4.25Å; M330-T532 WeakPolarHBondContact O-CA 3.46Å; A333-T532 CarbonylContact O-C 3.51Å; E489-T532 WeakPolarHBondContact CB-O 3.47Å; E489-T532 HydrophobicContact CG-CG2 4Å; E489-T532 WeakPolarHBondContact CG-O 3.36Å; E489-T532 PolarHBondContact N-O 3.26Å; P530-T532 WeakPolarHBondContact O-CB 3.45Å; P530-T532 PolarHBondContact O-N 2.68Å; P530-T532 PolarHBondContact O-OG1 3.49Å
533	A	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136	167.1	0	0	0	0	0	109.8	M330 A333 L338 Y487	M330-A533 PolarHBondContact N-O 2.93Å; M330-A533 PolarHBondContact O-N 3.31Å; M330-A533 VanDerWaalsContact O-N 3.11Å; A333-A533 HydrophobicContact CB-CB 4.13Å; A333-A533 WeakPolarHBondContact O-CB 3.29Å; A333-A533 PolarHBondContact O-N 3.49Å; L338-A533 HydrophobicContact CD1-CB 3.42Å; L338-A533 VanDerWaalsContact CD1-CB 3.42Å; L338-A533 HydrophobicContact CD2-CB 4.12Å; L338-A533 HydrophobicContact CG-CB 3.65Å; Y487-A533 VanDerWaalsContact O-CA 3.3Å; Y487-A533 WeakPolarHBondContact O-CA 3.32Å
534	G	98.7	Very high	98.6	Very high	2 Å²	2	27 Å²	27	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156.6	180	0	0	0	0	0	112.1	F328 L338 A486 Y487 E489	F328-G534 WeakPolarHBondContact O-CA 3.4Å; L338-G534 WeakPolarHBondContact CD1-O 3.4Å; A486-G534 VanDerWaalsContact CA-O 3.28Å; A486-G534 WeakPolarHBondContact CA-O 3.28Å; A486-G534 WeakPolarHBondContact CB-O 3.4Å; Y487-G534 PolarHBondContact N-O 2.63Å; Y487-G534 VanDerWaalsContact N-O 3.08Å; Y487-G534 PolarHBondContact O-N 3.49Å; E489-G534 WeakPolarHBondContact OE1-CA 3.5Å; E489-G534 PolarHBondContact OE1-N 3.43Å
535	Y	98.8	Very high	98.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	130.7	-169.4	-168.6	-84.3	0	0	0	110.8	E327 F328 L338 T342 F345 F474 V484 A486 L537	E327-Y535 CarbonylContact C-O 3.57Å; E327-Y535 WeakPolarHBondContact CA-O 3.25Å; F328-Y535 AromaticContact CD1-CD1 3.75Å; F328-Y535 HydrophobicContact CD1-CD1 3.75Å; F328-Y535 AromaticContact CD1-CG 3.93Å; F328-Y535 HydrophobicContact CD1-CG 3.93Å; F328-Y535 AromaticContact CE1-CD1 3.21Å; F328-Y535 HydrophobicContact CE1-CD1 3.21Å; F328-Y535 AromaticContact CE1-CD2 3.95Å; F328-Y535 HydrophobicContact CE1-CD2 3.95Å; F328-Y535 AromaticContact CE1-CE1 3.88Å; F328-Y535 HydrophobicContact CE1-CE1 3.88Å; F328-Y535 AromaticContact CE1-CG 3.22Å; F328-Y535 HydrophobicContact CE1-CG 3.22Å; F328-Y535 HydrophobicContact CE2-CG 4.33Å; F328-Y535 AromaticContact CZ-CD1 3.95Å; F328-Y535 HydrophobicContact CZ-CD1 3.95Å; F328-Y535 AromaticContact CZ-CD2 3.82Å; F328-Y535 HydrophobicContact CZ-CD2 3.82Å; F328-Y535 AromaticContact CZ-CG 3.46Å; F328-Y535 HydrophobicContact CZ-CG 3.46Å; F328-Y535 VanDerWaalsContact CZ-CG 3.46Å; F328-Y535 PolarHBondContact N-O 2.96Å; F328-Y535 PolarHBondContact O-N 3.38Å; L338-Y535 HydrophobicContact CB-CD2 4.22Å; L338-Y535 HydrophobicContact CD1-CD2 4.25Å; T342-Y535 WeakPolarHBondContact CG2-OH 3.44Å; T342-Y535 WeakPolarHBondContact OG1-CE2 3.41Å; T342-Y535 PolarHBondContact OG1-OH 3.17Å; F345-Y535 HydrophobicContact CE1-CE1 4.45Å; F345-Y535 AromaticContact CZ-CE1 3.92Å; F345-Y535 HydrophobicContact CZ-CE1 3.92Å; F345-Y535 AromaticContact CZ-CZ 3.81Å; F345-Y535 VanDerWaalsContact CZ-OH 3.29Å; F345-Y535 WeakPolarHBondContact CZ-OH 3.43Å; F474-Y535 HydrophobicContact CE2-CE2 4.16Å; F474-Y535 HydrophobicContact CZ-CD2 4.16Å; F474-Y535 AromaticContact CZ-CE2 3.85Å; F474-Y535 HydrophobicContact CZ-CE2 3.85Å; V484-Y535 HydrophobicContact CG1-CD1 4.26Å; V484-Y535 HydrophobicContact CG1-CD2 3.93Å; V484-Y535 HydrophobicContact CG1-CE1 3.71Å; V484-Y535 HydrophobicContact CG1-CE2 3.3Å; V484-Y535 HydrophobicContact CG1-CG 4.38Å; V484-Y535 WeakPolarHBondContact CG1-OH 3.34Å; V484-Y535 HydrophobicContact CG2-CE1 4.07Å; V484-Y535 WeakPolarHBondContact CG2-OH 3.28Å; A486-Y535 HydrophobicContact CB-CD2 3.49Å; A486-Y535 VanDerWaalsContact CB-CD2 3.49Å; A486-Y535 HydrophobicContact CB-CE2 4.13Å; A486-Y535 HydrophobicContact CB-CG 4.14Å; Y535-L537 HydrophobicContact CD1-CB 4.45Å; Y535-L537 HydrophobicContact CE1-CB 3.92Å
536	G	98.6	Very high	98.6	Very high	17 Å²	17	26.4 Å²	26.4	18%	0.175	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.3	172.4	0	0	0	0	0	112	L326 V484 N485	L326-G536 CarbonylContact O-C 3.58Å; L326-G536 WeakPolarHBondContact O-CA 3.37Å; V484-G536 CarbonylContact C-O 3.59Å; V484-G536 WeakPolarHBondContact CA-O 3.33Å; N485-G536 PolarHBondContact N-O 3.19Å; N485-G536 PolarHBondContact O-N 2.99Å
537	L	98.7	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.8	178.1	169.9	74.4	0	0	0	110.7	L242 S325 L326 F345 Y483 V484 Y535 I539 L542	L242-L537 HydrophobicContact CD1-CD2 4Å; L242-L537 HydrophobicContact CD2-CD2 4.21Å; S325-L537 CarbonylContact C-O 3.59Å; S325-L537 VanDerWaalsContact CA-O 3.28Å; S325-L537 WeakPolarHBondContact CA-O 3.41Å; L326-L537 HydrophobicContact CB-CB 4.33Å; L326-L537 HydrophobicContact CD2-CB 4.48Å; L326-L537 HydrophobicContact CD2-CD2 4.01Å; L326-L537 PolarHBondContact N-O 3.5Å; L326-L537 PolarHBondContact O-N 3.47Å; F345-L537 HydrophobicContact CE2-CD2 4.29Å; Y483-L537 WeakPolarHBondContact O-CA 3.34Å; Y483-L537 WeakPolarHBondContact O-CD1 3.43Å; V484-L537 HydrophobicContact CG2-CB 4.47Å; V484-L537 HydrophobicContact CG2-CD1 3.65Å; Y535-L537 HydrophobicContact CD1-CB 4.45Å; Y535-L537 HydrophobicContact CE1-CB 3.92Å; L537-I539 PolarHBondContact O-N 3.27Å; L537-L542 HydrophobicContact CD1-CD2 4.29Å; L537-L542 HydrophobicContact CD2-CD2 3.93Å; L537-L542 HydrophobicContact CG-CD2 4.43Å
538	G	98.3	Very high	98.5	Very high	18 Å²	18	15.1 Å²	15.1	19%	0.186	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	102	174.4	0	0	0	0	0	112.2	Y483 D540 R541 L542	Y483-G538 PolarHBondContact O-N 2.88Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.48Å; G538-R541 PolarHBondContact O-N 2.55Å; G538-L542 WeakPolarHBondContact O-CB 3.16Å; G538-L542 PolarHBondContact O-N 3.37Å
539	I	98.8	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-33.4	-177.1	-74.6	167.5	0	0	0	111.6	I239 L242 I306 T324 L326 L537 L542 T543	I239-I539 HydrophobicContact CD1-CG2 4.29Å; I239-I539 HydrophobicContact CG1-CD1 4.36Å; I239-I539 HydrophobicContact CG1-CG2 4.01Å; L242-I539 HydrophobicContact CD1-CD1 4.33Å; L242-I539 HydrophobicContact CD1-CG1 4.23Å; I306-I539 HydrophobicContact CD1-CD1 4.47Å; I306-I539 HydrophobicContact CG1-CD1 4.37Å; I306-I539 HydrophobicContact CG2-CD1 3.57Å; T324-I539 HydrophobicContact CG2-CB 4.11Å; T324-I539 HydrophobicContact CG2-CD1 3.79Å; T324-I539 HydrophobicContact CG2-CG1 4.49Å; T324-I539 HydrophobicContact CG2-CG2 4.38Å; T324-I539 WeakPolarHBondContact O-CB 3.32Å; T324-I539 PolarHBondContact O-N 3.45Å; L326-I539 HydrophobicContact CB-CD1 3.98Å; L326-I539 HydrophobicContact CB-CG1 4.41Å; L537-I539 PolarHBondContact O-N 3.27Å; I539-L542 PolarHBondContact O-N 2.95Å; I539-T543 WeakPolarHBondContact O-CB 3.44Å; I539-T543 PolarHBondContact O-N 2.97Å; I539-T543 PolarHBondContact O-OG1 3Å
540	D	98.6	Very high	98.2	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-50.4	176.4	-59.2	-76.8	0	0	0	111.8	R235 T324 G538 L542 T543 M544 I552 V555 L556	R235-D540 IonicContact CZ-OD1 3.26Å; R235-D540 IonicContact NH1-OD1 2.98Å; R235-D540 PolarHBondContact NH1-OD1 2.72Å; R235-D540 IonicContact NH2-OD1 3.03Å; R235-D540 PolarHBondContact NH2-OD1 3.12Å; R235-D540 IonicContact NH2-OD2 3.9Å; T324-D540 PolarHBondContact N-OD2 3.17Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.48Å; D540-L542 VanDerWaalsContact C-N 3.35Å; D540-L542 PolarHBondContact O-N 3.29Å; D540-T543 WeakPolarHBondContact O-CB 3.34Å; D540-T543 PolarHBondContact O-N 2.84Å; D540-T543 VanDerWaalsContact O-N 3.14Å; D540-M544 WeakPolarHBondContact O-CG 3.48Å; D540-M544 PolarHBondContact O-N 2.79Å; D540-I552 HydrophobicContact CB-CD1 3.79Å; D540-I552 HydrophobicContact CB-CG1 4.05Å; D540-V555 HydrophobicContact CB-CG2 4.37Å; D540-L556 VanDerWaalsContact OD1-CD2 3.25Å; D540-L556 WeakPolarHBondContact OD1-CD2 3.43Å
541	R	98.1	Very high	98	Very high	46 Å²	46	17.6 Å²	17.6	17%	0.174	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-45.6	175.5	-66.9	-175	-176.5	165.7	0.9	110.5	H319 E482 Y483 G538 T543 M544 L545	H319-R541 PolarHBondContact NE2-NH2 2.87Å; E482-R541 WeakPolarHBondContact O-CD 3.24Å; E482-R541 PolarHBondContact O-NH1 3.38Å; E482-R541 IonicContact OE2-CZ 3.31Å; E482-R541 IonicContact OE2-NH1 2.84Å; E482-R541 PolarHBondContact OE2-NH1 3.46Å; Y483-R541 HydrophobicContact CD1-CB 4.06Å; Y483-R541 HydrophobicContact CE1-CB 3.98Å; Y483-R541 VanDerWaalsContact CE1-O 3.25Å; Y483-R541 WeakPolarHBondContact CE1-O 3.5Å; G538-R541 PolarHBondContact O-N 2.55Å; R541-T543 VanDerWaalsContact C-N 3.28Å; R541-T543 PolarHBondContact O-N 2.7Å; R541-M544 WeakPolarHBondContact O-CA 3.31Å; R541-M544 VanDerWaalsContact O-CB 3.28Å; R541-M544 WeakPolarHBondContact O-CB 3.4Å; R541-M544 PolarHBondContact O-N 2.85Å; R541-L545 PolarHBondContact O-N 3.47Å
542	L	98.5	Very high	98	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-57.7	-41.2	175.2	-177.2	61.4	0	0	0	112.3	I238 L346 L349 Y483 L537 G538 I539 D540 M544 L545 L546	I238-L542 HydrophobicContact CG2-CD2 3.78Å; I238-L542 HydrophobicContact CG2-CG 4.37Å; L346-L542 HydrophobicContact CD2-CD1 4.17Å; L346-L542 HydrophobicContact CD2-CD2 4.37Å; L349-L542 HydrophobicContact CD2-CD2 3.82Å; L349-L542 HydrophobicContact CD2-CG 4.5Å; Y483-L542 HydrophobicContact CD1-CB 4.3Å; Y483-L542 HydrophobicContact CD1-CD1 4.49Å; L537-L542 HydrophobicContact CD1-CD2 4.29Å; L537-L542 HydrophobicContact CD2-CD2 3.93Å; L537-L542 HydrophobicContact CG-CD2 4.43Å; G538-L542 WeakPolarHBondContact O-CB 3.16Å; G538-L542 PolarHBondContact O-N 3.37Å; I539-L542 PolarHBondContact O-N 2.95Å; D540-L542 VanDerWaalsContact C-N 3.35Å; D540-L542 PolarHBondContact O-N 3.29Å; L542-M544 VanDerWaalsContact C-N 3.34Å; L542-L545 PolarHBondContact O-N 2.77Å; L542-L546 HydrophobicContact CD1-CG 4.03Å; L542-L546 PolarHBondContact O-N 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.37Å; L542-L546 VanDerWaalsContact O-CG 3.29Å; L542-L546 WeakPolarHBondContact O-CB 3.4Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 HydrophobicContact CG-CD1 3.85Å; L542-L546 HydrophobicContact CD1-CD1 3.69Å
543	T	98.6	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.2	-54	0	0	0	0	111.2	R235 I238 I539 D540 R541 L546 T547 V555	R235-T543 HydrophobicContact CB-CG2 3.74Å; R235-T543 HydrophobicContact CG-CG2 4.05Å; I238-T543 HydrophobicContact CD1-CG2 4.42Å; I539-T543 WeakPolarHBondContact O-CB 3.44Å; I539-T543 PolarHBondContact O-N 2.97Å; I539-T543 PolarHBondContact O-OG1 3Å; D540-T543 WeakPolarHBondContact O-CB 3.34Å; D540-T543 PolarHBondContact O-N 2.84Å; D540-T543 VanDerWaalsContact O-N 3.14Å; R541-T543 VanDerWaalsContact C-N 3.28Å; R541-T543 PolarHBondContact O-N 2.7Å; T543-L546 PolarHBondContact O-N 2.78Å; T543-T547 WeakPolarHBondContact O-CB 3.36Å; T543-T547 PolarHBondContact O-OG1 2.71Å; T543-T547 PolarHBondContact O-N 3.24Å; T543-T547 HydrophobicContact CG2-CG2 4.19Å; T543-T547 WeakPolarHBondContact O-CG2 3.43Å; T543-V555 HydrophobicContact CG2-CB 3.76Å; T543-V555 HydrophobicContact CG2-CG1 3.65Å
544	M	98.3	Very high	97.8	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.03	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-48.9	176.6	-72.1	169.6	62	0	0	111.2	T318 D540 R541 L542 T547 D548 R549 I552 V555	T318-M544 HydrophobicContact CG2-CE 4.22Å; D540-M544 WeakPolarHBondContact O-CG 3.48Å; D540-M544 PolarHBondContact O-N 2.79Å; R541-M544 WeakPolarHBondContact O-CA 3.31Å; R541-M544 VanDerWaalsContact O-CB 3.28Å; R541-M544 WeakPolarHBondContact O-CB 3.4Å; R541-M544 PolarHBondContact O-N 2.85Å; L542-M544 VanDerWaalsContact C-N 3.34Å; M544-T547 PolarHBondContact O-N 2.91Å; M544-D548 PolarHBondContact O-N 3.13Å; M544-R549 HydrophobicContact CB-CB 4.45Å; M544-R549 WeakPolarHBondContact CB-O 3.22Å; M544-R549 PolarHBondContact O-N 3.42Å; M544-I552 WeakPolarHBondContact SD-CA 3.32Å; M544-I552 HydrophobicContact SD-CG1 4.02Å; M544-I552 HydrophobicContact SD-CB 3.67Å; M544-V555 HydrophobicContact CB-CG1 4.48Å; M544-V555 HydrophobicContact CG-CB 4.45Å; M544-V555 HydrophobicContact CG-CG1 3.87Å; M544-V555 HydrophobicContact CG-CG2 3.68Å
545	L	98	Very high	97.8	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-53.2	177.4	-176.5	62.2	0	0	0	112.1	I359 Y361 F375 I478 A479 Y483 R541 L542 T547 D548	I359-L545 HydrophobicContact CD1-CG 4.32Å; Y361-L545 HydrophobicContact CD1-CD1 4.13Å; Y361-L545 HydrophobicContact CD2-CD1 3.94Å; Y361-L545 HydrophobicContact CE1-CD1 4.4Å; Y361-L545 HydrophobicContact CE2-CD1 4.23Å; Y361-L545 HydrophobicContact CG-CD1 3.9Å; F375-L545 HydrophobicContact CZ-CD2 3.76Å; I478-L545 HydrophobicContact CB-CD2 4.07Å; I478-L545 HydrophobicContact CD1-CD2 3.77Å; I478-L545 HydrophobicContact CG2-CD1 4.36Å; I478-L545 HydrophobicContact CG2-CD2 3.8Å; A479-L545 HydrophobicContact CB-CD1 4.36Å; Y483-L545 HydrophobicContact CD1-CD2 4.46Å; Y483-L545 HydrophobicContact CE1-CB 3.68Å; Y483-L545 HydrophobicContact CE1-CD2 3.74Å; Y483-L545 HydrophobicContact CE1-CG 4.32Å; Y483-L545 HydrophobicContact CE2-CD2 4.48Å; Y483-L545 WeakPolarHBondContact OH-CB 3.48Å; R541-L545 PolarHBondContact O-N 3.47Å; L542-L545 PolarHBondContact O-N 2.77Å; L545-T547 PolarHBondContact O-N 3.23Å; L545-T547 VanDerWaalsContact O-N 3.12Å; L545-D548 PolarHBondContact O-N 2.85Å
546	L	98.2	Very high	97.8	Very high	6 Å²	6	17 Å²	17	3%	0.031	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	4.3	-176.3	-56.5	178	0	0	0	113.3	I238 L349 V350 L353 F354 I359 L542 T543	I238-L546 HydrophobicContact CD1-CB 4.14Å; I238-L546 HydrophobicContact CD1-CD1 3.78Å; I238-L546 HydrophobicContact CG1-CD1 3.98Å; L349-L546 HydrophobicContact CD2-CD1 3.75Å; L349-L546 HydrophobicContact CG-CD1 4.12Å; V350-L546 HydrophobicContact CG2-CD2 3.89Å; L353-L546 HydrophobicContact CD1-CB 4.44Å; L353-L546 HydrophobicContact CD1-CD1 3.85Å; F354-L546 HydrophobicContact CE2-CB 4.35Å; F354-L546 HydrophobicContact CE2-CD2 4.08Å; F354-L546 HydrophobicContact CZ-CB 4.45Å; F354-L546 WeakPolarHBondContact CZ-O 3.44Å; I359-L546 HydrophobicContact CD1-CD2 3.98Å; L542-L546 HydrophobicContact CD1-CG 4.03Å; L542-L546 PolarHBondContact O-N 3.24Å; L542-L546 WeakPolarHBondContact O-CG 3.37Å; L542-L546 VanDerWaalsContact O-CG 3.29Å; L542-L546 WeakPolarHBondContact O-CB 3.4Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 HydrophobicContact CG-CD1 3.85Å; L542-L546 HydrophobicContact CD1-CD1 3.69Å; T543-L546 PolarHBondContact O-N 2.78Å
547	T	97.6	Very high	97.8	Very high	18 Å²	18	20 Å²	20	11%	0.11	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	10.1	172.4	63.7	0	0	0	0	113.2	I231 R234 T543 M544 L545 R549	I231-T547 HydrophobicContact CB-CG2 4.49Å; I231-T547 HydrophobicContact CG2-CG2 4.13Å; R234-T547 HydrophobicContact CB-CG2 3.77Å; R234-T547 HydrophobicContact CG-CG2 4.29Å; T543-T547 WeakPolarHBondContact O-CB 3.36Å; T543-T547 PolarHBondContact O-OG1 2.71Å; T543-T547 PolarHBondContact O-N 3.24Å; T543-T547 HydrophobicContact CG2-CG2 4.19Å; T543-T547 WeakPolarHBondContact O-CG2 3.43Å; M544-T547 PolarHBondContact O-N 2.91Å; L545-T547 PolarHBondContact O-N 3.23Å; L545-T547 VanDerWaalsContact O-N 3.12Å; T547-R549 WeakPolarHBondContact OG1-CG 3.43Å
548	D	97.7	Very high	97.7	Very high	46 Å²	46	26.7 Å²	26.7	25%	0.246	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	58.9	179.4	-170.9	37.3	0	0	0	112.2	Y361 H362 M544 L545	Y361-D548 WeakPolarHBondContact CA-OD1 3.38Å; Y361-D548 HydrophobicContact CD2-CB 4.42Å; Y361-D548 WeakPolarHBondContact CD2-OD1 3.35Å; H362-D548 IonicContact CE1-OD2 3.68Å; H362-D548 PolarHBondContact CE1-OD2 2.91Å; H362-D548 IonicContact CG-OD1 3.7Å; H362-D548 IonicContact CG-OD2 3.73Å; H362-D548 PolarHBondContact N-OD1 2.84Å; H362-D548 IonicContact ND1-OD1 2.87Å; H362-D548 PolarHBondContact ND1-OD1 3.11Å; H362-D548 IonicContact ND1-OD2 2.92Å; H362-D548 PolarHBondContact ND1-OD2 3.15Å; M544-D548 PolarHBondContact O-N 3.13Å; L545-D548 PolarHBondContact O-N 2.85Å
549	R	96.3	Very high	97.7	Very high	61 Å²	61	26.3 Å²	26.3	23%	0.23	13%	0.125	C	C	.	.			trans	-125	138.9	177.9	-57	-62.4	170.5	-125.3	1.9	110.5	I231 Y361 M544 T547 E554 V555	I231-R549 HydrophobicContact CD1-CG 4.45Å; I231-R549 VanDerWaalsContact CD1-NE 3.27Å; Y361-R549 PolarHBondContact OH-O 3.26Å; Y361-R549 VanDerWaalsContact OH-O 3.05Å; M544-R549 HydrophobicContact CB-CB 4.45Å; M544-R549 WeakPolarHBondContact CB-O 3.22Å; M544-R549 PolarHBondContact O-N 3.42Å; T547-R549 WeakPolarHBondContact OG1-CG 3.43Å; R549-E554 HydrophobicContact CB-CB 4.02Å; R549-E554 HydrophobicContact CG-CG 4.41Å; R549-E554 HydrophobicContact CG-CB 3.78Å; R549-V555 HydrophobicContact CB-CG1 4.41Å; R549-V555 HydrophobicContact CG-CG1 4.35Å
550	N	94.4	Very high	97.6	Very high	42 Å²	42	28 Å²	28	23%	0.225	14%	0.139	C	C	.	.	S	Bend	trans	-108.1	1.4	178.2	-57.3	-17.2	0	0	0	112.7	Y361 H362 G365	Y361-N550 VanDerWaalsContact CZ-OD1 3.29Å; Y361-N550 PolarHBondContact OH-OD1 3.03Å; H362-N550 PolarHBondContact O-ND2 3.49Å; H362-N550 PolarHBondContact O-OD1 2.83Å; G365-N550 WeakPolarHBondContact CA-ND2 3.45Å; G365-N550 PolarHBondContact N-ND2 2.97Å; G365-N550 VanDerWaalsContact N-ND2 3.12Å
551	N	95.9	Very high	97.3	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.134	15%	0.151	C	C	.	.	S	Bend	trans	-128.7	121.9	178	-174.1	-18.8	0	0	0	109	L317 K553 E554	L317-N551 HydrophobicContact CD2-CB 4.13Å; L317-N551 CarbonylContact O-C 3.59Å; L317-N551 WeakPolarHBondContact O-CA 3.47Å; N551-K553 PolarHBondContact O-N 3.42Å; N551-K553 VanDerWaalsContact O-N 3.11Å; N551-K553 WeakPolarHBondContact OD1-CB 3.38Å; N551-K553 VanDerWaalsContact OD1-CG 3.31Å; N551-K553 WeakPolarHBondContact OD1-CG 3.39Å; N551-K553 PolarHBondContact OD1-N 2.73Å; N551-E554 HydrophobicContact CB-CG 4.5Å; N551-E554 PolarHBondContact O-N 3.28Å; N551-E554 WeakPolarHBondContact O-CB 3.4Å
552	I	97.6	Very high	97	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27.2	179.3	-166.4	167.7	0	0	0	112.6	L317 T318 N320 D540 M544 E554 V555 L556	L317-I552 PolarHBondContact O-N 2.79Å; T318-I552 WeakPolarHBondContact O-CD1 3.32Å; N320-I552 HydrophobicContact CB-CD1 4.19Å; N320-I552 HydrophobicContact CB-CG2 4.39Å; D540-I552 HydrophobicContact CB-CD1 3.79Å; D540-I552 HydrophobicContact CB-CG1 4.05Å; M544-I552 WeakPolarHBondContact SD-CA 3.32Å; M544-I552 HydrophobicContact SD-CG1 4.02Å; M544-I552 HydrophobicContact SD-CB 3.67Å; I552-E554 PolarHBondContact O-N 3.31Å; I552-E554 VanDerWaalsContact O-N 3.16Å; I552-V555 HydrophobicContact CG1-CG2 4.15Å; I552-V555 WeakPolarHBondContact O-CG2 3.5Å; I552-V555 PolarHBondContact O-N 3.13Å; I552-L556 PolarHBondContact O-N 2.98Å; I552-L556 HydrophobicContact CG1-CG 4.34Å; I552-L556 HydrophobicContact CG1-CD1 4.05Å
553	K	97.4	Very high	96.5	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.113	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.7	175.5	-60.6	-169.9	-172.6	-59.2	0	113.8	Y215 R218 I315 N551 V555 P559 A560 M561	Y215-K553 HydrophobicContact CD1-CB 4.18Å; Y215-K553 HydrophobicContact CD2-CB 3.93Å; Y215-K553 HydrophobicContact CD2-CD 3.67Å; Y215-K553 HydrophobicContact CD2-CG 4.43Å; Y215-K553 HydrophobicContact CE1-CB 3.89Å; Y215-K553 HydrophobicContact CE2-CB 3.6Å; Y215-K553 HydrophobicContact CE2-CD 3.7Å; Y215-K553 HydrophobicContact CE2-CG 4.28Å; Y215-K553 HydrophobicContact CG-CB 4.22Å; Y215-K553 HydrophobicContact CG-CD 4.49Å; R218-K553 PolarHBondContact NH2-O 3.06Å; I315-K553 VanDerWaalsContact CG2-NZ 3.25Å; N551-K553 PolarHBondContact O-N 3.42Å; N551-K553 VanDerWaalsContact O-N 3.11Å; N551-K553 WeakPolarHBondContact OD1-CB 3.38Å; N551-K553 VanDerWaalsContact OD1-CG 3.31Å; N551-K553 WeakPolarHBondContact OD1-CG 3.39Å; N551-K553 PolarHBondContact OD1-N 2.73Å; K553-V555 VanDerWaalsContact C-N 3.34Å; K553-P559 HydrophobicContact CB-CB 3.92Å; K553-P559 HydrophobicContact CB-CG 3.91Å; K553-P559 HydrophobicContact CD-CB 4.29Å; K553-P559 HydrophobicContact CD-CG 4.39Å; K553-P559 HydrophobicContact CG-CB 3.72Å; K553-P559 HydrophobicContact CG-CG 4.1Å; K553-A560 PolarHBondContact NZ-O 3.21Å; K553-M561 HydrophobicContact CD-SD 3.98Å
554	E	97.4	Very high	95.7	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.07	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-74.1	-26	175	-68	-68.4	143.2	0	0	112.7	R214 Y215 R549 N551 I552	R214-E554 IonicContact CZ-OE1 3.83Å; R214-E554 IonicContact CZ-OE2 3.01Å; R214-E554 IonicContact NH1-OE1 2.72Å; R214-E554 PolarHBondContact NH1-OE1 2.9Å; R214-E554 IonicContact NH1-OE2 3.67Å; R214-E554 PolarHBondContact NH1-OE2 2.84Å; R214-E554 IonicContact NH2-OE1 3.46Å; R214-E554 PolarHBondContact NH2-OE1 3.49Å; R214-E554 IonicContact NH2-OE2 3.07Å; R214-E554 PolarHBondContact NH2-OE2 3.32Å; Y215-E554 VanDerWaalsContact CE1-OE1 3.26Å; Y215-E554 WeakPolarHBondContact CE1-OE1 3.44Å; Y215-E554 VanDerWaalsContact CZ-OE1 3.32Å; Y215-E554 PolarHBondContact OH-OE1 3.04Å; R549-E554 HydrophobicContact CB-CB 4.02Å; R549-E554 HydrophobicContact CG-CG 4.41Å; R549-E554 HydrophobicContact CG-CB 3.78Å; N551-E554 HydrophobicContact CB-CG 4.5Å; N551-E554 PolarHBondContact O-N 3.28Å; N551-E554 WeakPolarHBondContact O-CB 3.4Å; I552-E554 PolarHBondContact O-N 3.31Å; I552-E554 VanDerWaalsContact O-N 3.16Å
555	V	98.3	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-0	-175.7	-56.8	0	0	0	0	113.7	I231 F232 D540 T543 M544 R549 I552 K553	I231-V555 HydrophobicContact CG2-CB 4.41Å; I231-V555 HydrophobicContact CG2-CG1 3.89Å; F232-V555 WeakPolarHBondContact CE1-O 3.43Å; D540-V555 HydrophobicContact CB-CG2 4.37Å; T543-V555 HydrophobicContact CG2-CB 3.76Å; T543-V555 HydrophobicContact CG2-CG1 3.65Å; M544-V555 HydrophobicContact CB-CG1 4.48Å; M544-V555 HydrophobicContact CG-CB 4.45Å; M544-V555 HydrophobicContact CG-CG1 3.87Å; M544-V555 HydrophobicContact CG-CG2 3.68Å; R549-V555 HydrophobicContact CB-CG1 4.41Å; R549-V555 HydrophobicContact CG-CG1 4.35Å; I552-V555 HydrophobicContact CG1-CG2 4.15Å; I552-V555 WeakPolarHBondContact O-CG2 3.5Å; I552-V555 PolarHBondContact O-N 3.13Å; K553-V555 VanDerWaalsContact C-N 3.34Å
556	L	98.4	Very high	92.6	Very high	20 Å²	20	58.7 Å²	58.7	11%	0.105	30%	0.303	C	S	.	.			trans	-104.8	128.6	171.9	-65.7	174	0	0	0	109.9	R218 N320 D540 I552 F558 P559	R218-L556 PolarHBondContact NH2-O 3.09Å; N320-L556 HydrophobicContact CB-CD1 3.6Å; D540-L556 VanDerWaalsContact OD1-CD2 3.25Å; D540-L556 WeakPolarHBondContact OD1-CD2 3.43Å; I552-L556 PolarHBondContact O-N 2.98Å; I552-L556 HydrophobicContact CG1-CG 4.34Å; I552-L556 HydrophobicContact CG1-CD1 4.05Å; L556-F558 VanDerWaalsContact C-N 3.33Å; L556-F558 PolarHBondContact O-N 3.34Å; L556-P559 HydrophobicContact CB-CB 4.05Å; L556-P559 HydrophobicContact CD1-CB 4.19Å
557	L	98.3	Very high	90.6	Very high	80 Å²	80	62.3 Å²	62.3	42%	0.419	33%	0.325	S	S	.	.	S	Bend	trans	-60.6	-46.2	179.7	-79.3	167.7	0	0	0	110.6	R218 L222 F232	R218-L557 VanDerWaalsContact CB-O 3.28Å; R218-L557 WeakPolarHBondContact CB-O 3.5Å; R218-L557 HydrophobicContact CG-CD2 4.28Å; R218-L557 WeakPolarHBondContact CG-O 3.47Å; R218-L557 PolarHBondContact NE-O 2.74Å; L222-L557 HydrophobicContact CD1-CD2 4.46Å; F232-L557 HydrophobicContact CD1-CD2 3.71Å; F232-L557 HydrophobicContact CD1-CG 3.69Å; F232-L557 HydrophobicContact CD2-CD2 3.66Å; F232-L557 HydrophobicContact CE1-CB 4.24Å; F232-L557 HydrophobicContact CE1-CD2 3.73Å; F232-L557 HydrophobicContact CE1-CG 3.6Å; F232-L557 HydrophobicContact CE2-CD2 3.69Å; F232-L557 HydrophobicContact CE2-CG 4.46Å; F232-L557 HydrophobicContact CG-CD2 3.69Å; F232-L557 HydrophobicContact CG-CG 4.18Å; F232-L557 HydrophobicContact CZ-CB 4.46Å; F232-L557 HydrophobicContact CZ-CD2 3.73Å; F232-L557 HydrophobicContact CZ-CG 4.03Å
558	F	97.9	Very high	88	Confident	140 Å²	140	67.3 Å²	67.3	61%	0.614	35%	0.351	S	S	*	.	S	Bend	trans	-129.9	80.9	179.3	-56.9	-79.1	0	0	0	108.6	R218 L556	R218-F558 HydrophobicContact CB-CD1 4.17Å; R218-F558 HydrophobicContact CB-CE1 3.85Å; R218-F558 HydrophobicContact CB-CZ 4.46Å; L556-F558 VanDerWaalsContact C-N 3.33Å; L556-F558 PolarHBondContact O-N 3.34Å
559	P	97.4	Very high	85.1	Confident	11 Å²	11	74.7 Å²	74.7	7%	0.071	38%	0.381	C	S	.	.			trans	-67.2	154.7	179	29.6	-34	0	0	0	110.7	Y215 K553 L556 M561	Y215-P559 HydrophobicContact CD1-CG 4.38Å; Y215-P559 HydrophobicContact CG-CG 4.06Å; K553-P559 HydrophobicContact CB-CB 3.92Å; K553-P559 HydrophobicContact CB-CG 3.91Å; K553-P559 HydrophobicContact CD-CB 4.29Å; K553-P559 HydrophobicContact CD-CG 4.39Å; K553-P559 HydrophobicContact CG-CB 3.72Å; K553-P559 HydrophobicContact CG-CG 4.1Å; L556-P559 HydrophobicContact CB-CB 4.05Å; L556-P559 HydrophobicContact CD1-CB 4.19Å; P559-M561 HydrophobicContact CG-SD 4.45Å; P559-M561 PolarHBondContact O-N 2.89Å
560	A	95.8	Very high	82.4	Confident	35 Å²	35	77.6 Å²	77.6	29%	0.289	41%	0.405	S	S	.	.			trans	-63.5	132.5	172.6	0	0	0	0	0	110	I315 N320 P321 K553	I315-A560 HydrophobicContact CD1-CB 3.77Å; N320-A560 WeakPolarHBondContact OD1-CB 3.39Å; N320-A560 PolarHBondContact OD1-N 3.08Å; N320-A560 VanDerWaalsContact OD1-N 3.07Å; P321-A560 HydrophobicContact CG-CB 4.12Å; K553-A560 PolarHBondContact NZ-O 3.21Å
561	M	93.8	Very high	79.6	Confident	54 Å²	54	81.1 Å²	81.1	27%	0.266	43%	0.428	S	S	.	.			trans	-128.2	146.8	179.4	-62.5	-62.5	-71.4	0	0	108.6	E212 Y215 R216 K553 P559	E212-M561 HydrophobicContact CG-CE 4.24Å; Y215-M561 HydrophobicContact CD2-CE 4.24Å; Y215-M561 HydrophobicContact CD2-SD 4.12Å; Y215-M561 HydrophobicContact CG-SD 4.46Å; R216-M561 HydrophobicContact CG-CG 4.38Å; K553-M561 HydrophobicContact CD-SD 3.98Å; P559-M561 HydrophobicContact CG-SD 4.45Å; P559-M561 PolarHBondContact O-N 2.89Å
562	K	90.3	Very high	76.7	Confident	177 Å²	177	87.5 Å²	87.5	77%	0.77	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-59.4	141.8	167.6	-68.3	-175.1	177.6	-177.7	0	108.7	R216	R216-K562 VanDerWaalsContact CZ-O 3.26Å; R216-K562 PolarHBondContact NH1-O 2.91Å; R216-K562 PolarHBondContact NH2-O 3.04Å
563	P	89	Confident	73.6	Confident	99 Å²	99	95.8 Å²	95.8	64%	0.643	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-53.7	147.7	172.9	-26.3	35.5	0	0	0	111.4
564	D	80.8	Confident	70.5	Confident	61 Å²	61	97.6 Å²	97.6	33%	0.326	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-75.8	128.3	170.4	-70.4	-46.7	0	0	0	108.1	R216 N566 V567	R216-D564 WeakPolarHBondContact CD-OD2 3.47Å; R216-D564 VanDerWaalsContact CZ-CG 3.4Å; R216-D564 IonicContact CZ-OD1 2.72Å; R216-D564 IonicContact CZ-OD2 3.51Å; R216-D564 IonicContact NE-OD1 3.7Å; R216-D564 PolarHBondContact NE-OD1 2.88Å; R216-D564 IonicContact NE-OD2 3.15Å; R216-D564 PolarHBondContact NE-OD2 3.19Å; R216-D564 IonicContact NH1-OD1 3.86Å; R216-D564 PolarHBondContact NH1-OD1 3.45Å; R216-D564 IonicContact NH1-OD2 2.77Å; R216-D564 PolarHBondContact NH1-OD2 3.43Å; R216-D564 IonicContact NH2-OD1 2.65Å; R216-D564 PolarHBondContact NH2-OD1 2.77Å; R216-D564 VanDerWaalsContact NH2-OD1 3.15Å; D564-N566 PolarHBondContact O-N 2.66Å; D564-V567 HydrophobicContact CB-CG2 3.95Å; D564-V567 PolarHBondContact O-N 3.07Å
565	D	72.1	Confident	67.5	Low	160 Å²	160	103.7 Å²	103.7	86%	0.856	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-15.3	179.4	-65.2	-29.9	0	0	0	113.7
566	N	60.2	Low	64.1	Low	154 Å²	154	112.8 Å²	112.8	82%	0.824	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-6	-179.1	-69.6	-39.4	0	0	0	115.1	D564	D564-N566 PolarHBondContact O-N 2.66Å
567	V	56	Low	61	Low	81 Å²	81	123.3 Å²	123.3	49%	0.491	67%	0.669	S	S	.	*	S	Bend	trans	-90.4	-25.6	-174.1	179.5	0	0	0	0	112.9	D564 K569	D564-V567 HydrophobicContact CB-CG2 3.95Å; D564-V567 PolarHBondContact O-N 3.07Å; V567-K569 PolarHBondContact O-N 3.1Å
568	D	43.1	Very low	59.1	Low	124 Å²	124	125.5 Å²	125.5	66%	0.663	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	9.9	-168.9	-71.6	-26.8	0	0	0	116.4
569	K	37.1	Very low	57.1	Low	200 Å²	200	124.7 Å²	124.7	87%	0.87	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-3.5	176.9	-71.9	-169.2	179.2	-177.9	0	115.6	V567	V567-K569 PolarHBondContact O-N 3.1Å
570	V	39.7	Very low	54.8	Low	123 Å²	123	131 Å²	131	75%	0.745	72%	0.719	S	S	*	*	S	Bend	trans	-119.6	-14.3	-165.4	-175.8	0	0	0	0	116.1
571	T	34.5	Very low	52.4	Low	115 Å²	115	136.6 Å²	136.6	71%	0.706	74%	0.744	S	S	*	*	S	Bend	trans	-138	17.9	-166.2	30.4	0	0	0	0	119.3
572	L	35.1	Very low	49.9	Very low	159 Å²	159	141.8 Å²	141.8	83%	0.832	77%	0.774	S	S	*	*	S	Bend	trans	-112.4	1.3	174	-74.5	168.5	0	0	0	116.2
573	N	33.7	Very low	47.2	Very low	177 Å²	177	139.5 Å²	139.5	95%	0.947	77%	0.774	S	S	*	*	S	Bend	trans	-97.6	25.1	177	-69.9	-9.7	0	0	0	114
574	G	31.5	Very low	44.2	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	78%	0.784	S	S	*	*	S	Bend	trans	-115.3	-6.6	-165.1	0	0	0	0	0	117.9
575	V	34.8	Very low	41.4	Very low	142 Å²	142	148.6 Å²	148.6	86%	0.861	82%	0.819	S	S	*	*			trans	-141.4	76	-176.9	-166.1	0	0	0	0	110.1
576	E	26.3	Very low	38.8	Very low	192 Å²	192	147.7 Å²	147.7	90%	0.897	82%	0.816	S	S	*	*			trans	-105.9	114.8	147	-80.6	-175.7	165.8	0	0	106.4
577	N	33.6	Very low	36.9	Very low	240 Å²	240	147.1 Å²	147.1	100%	1.283	82%	0.815	S	S	*	*			trans	-144.4	0	153.5	-105.7	-7	0	0	0	107.4

Retrieved 577 of 577 residues in 594.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).