A0A093HF21_STRCA Loading...

Pentraxin-related protein PTX3

Plays a role in the regulation of innate resistance to pathogens, inflammatory reactions, possibly clearance of self-components and female fertility.

AlphaFold DB , UniProt , Accession A0A093HF21, Species STRCA (Struthio camelus australis), Gene n/a, Length 432 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	42	Very low	47.9	Very low	240 Å²	240	126.9 Å²	126.9	100%	1.182	66%	0.659	S	S	*	*				0	101.9	0	-66.5	171.7	91.5	0	0	106.2
2	L	39.5	Very low	47.6	Very low	135 Å²	135	126.3 Å²	126.3	71%	0.707	66%	0.656	S	S	*	*			trans	-74.5	140.1	180	-97.5	82.6	0	0	0	109.5	M6	L2-M6 HydrophobicContact CD2-CB 4.4Å
3	P	57.3	Low	47.3	Very low	87 Å²	87	128.6 Å²	128.6	57%	0.565	66%	0.659	S	S	*	*			trans	-68.3	139.6	179.1	26.3	-30.8	0	0	0	110.8	E5 M6	P3-E5 PolarHBondContact O-N 3.3Å; P3-M6 PolarHBondContact O-N 3.15Å
4	Q	44.8	Very low	47	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.813	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-19.7	-174.9	-167.2	164.7	-22.1	0	0	114.3	L7	Q4-L7 PolarHBondContact O-N 3.37Å
5	E	48.3	Very low	46.6	Very low	153 Å²	153	125.5 Å²	125.5	72%	0.715	66%	0.66	S	S	*	*	H	α-helix	trans	-66.5	-32.4	173.9	-61.9	-75.5	140.4	0	0	113.3	P3	P3-E5 PolarHBondContact O-N 3.3Å
6	M	49.4	Very low	46.2	Very low	95 Å²	95	128.8 Å²	128.8	47%	0.468	67%	0.668	S	S	.	*	H	α-helix	trans	-75.7	-24	179.8	-82.8	-76	-68	0	0	113.1	L2 P3 L10	L2-M6 HydrophobicContact CD2-CB 4.4Å; P3-M6 PolarHBondContact O-N 3.15Å; M6-L10 PolarHBondContact O-N 3.5Å
7	L	49.8	Very low	45.8	Very low	115 Å²	115	134.1 Å²	134.1	60%	0.602	68%	0.677	S	S	*	*	H	α-helix	trans	-75	-34.6	177.6	-127.8	93.7	0	0	0	111.4	Q4 L10 I11	Q4-L7 PolarHBondContact O-N 3.37Å; L7-L10 PolarHBondContact O-N 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.5Å
8	S	46.8	Very low	45.1	Very low	76 Å²	76	131.4 Å²	131.4	53%	0.531	68%	0.679	S	S	.	*	H	α-helix	trans	-71.8	-32	179	-63	0	0	0	0	112.9	L12	S8-L12 PolarHBondContact O-N 3.21Å
9	L	48.2	Very low	44.6	Very low	111 Å²	111	130.5 Å²	130.5	58%	0.581	68%	0.683	S	S	*	*	H	α-helix	trans	-72.5	-33.1	174.5	-93.9	148	0	0	0	113	F13	L9-F13 PolarHBondContact O-N 3.27Å
10	L	49.6	Very low	44.1	Very low	101 Å²	101	131.7 Å²	131.7	53%	0.529	70%	0.695	S	S	.	*	H	α-helix	trans	-68.9	-34.2	174.6	-91.8	154.6	0	0	0	112.4	M6 L7 F13 C14	M6-L10 PolarHBondContact O-N 3.5Å; L7-L10 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.44Å; L10-C14 PolarHBondContact O-N 2.97Å; L10-C14 PolarHBondContact O-SG 2.91Å
11	I	50.7	Low	43.4	Very low	109 Å²	109	130 Å²	130	56%	0.559	69%	0.694	S	S	*	*	H	α-helix	trans	-71.5	-35.6	177.9	-65.5	167.7	0	0	0	111.3	L7 C14	L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.5Å; I11-C14 PolarHBondContact O-N 3.48Å
12	L	44.7	Very low	42.8	Very low	119 Å²	119	123 Å²	123	62%	0.623	68%	0.675	S	S	*	*	H	α-helix	trans	-71.1	-31.7	176.2	-114	137.8	0	0	0	113	S8 C14	S8-L12 PolarHBondContact O-N 3.21Å; L12-C14 VanDerWaalsContact C-N 3.34Å
13	F	43.4	Very low	42.3	Very low	157 Å²	157	125.1 Å²	125.1	69%	0.689	69%	0.685	S	S	*	*	H	α-helix	trans	-74.3	-21.6	174.6	-117.3	-90.5	0	0	0	113.6	L9 L10	L9-F13 PolarHBondContact O-N 3.27Å; L10-F13 PolarHBondContact O-N 3.44Å
14	C	42.8	Very low	41	Very low	99 Å²	99	128.1 Å²	128.1	67%	0.669	70%	0.697	S	S	*	*	H	α-helix	trans	-84.8	-18.2	178.3	-73.2	0	0	0	0	114.2	L10 I11 L12	L10-C14 PolarHBondContact O-N 2.97Å; L10-C14 PolarHBondContact O-SG 2.91Å; I11-C14 PolarHBondContact O-N 3.48Å; L12-C14 VanDerWaalsContact C-N 3.34Å
15	V	42	Very low	40.5	Very low	111 Å²	111	127.7 Å²	127.7	67%	0.673	70%	0.695	S	S	*	*	H	α-helix	trans	-88	-21.2	179.1	177.8	0	0	0	0	112.6
16	F	39.4	Very low	39.7	Very low	178 Å²	178	127.1 Å²	127.1	78%	0.781	70%	0.697	S	S	*	*	S	Bend	trans	-101.6	13.8	-179	-79.8	-78.5	0	0	0	115.2
17	R	40	Very low	39	Very low	219 Å²	219	129.8 Å²	129.8	83%	0.826	71%	0.713	S	S	*	*			trans	-128.7	64.2	178	-148.3	-178.3	-163.5	175	5	111.8
18	A	32.7	Very low	38.2	Very low	86 Å²	86	129.7 Å²	129.7	71%	0.711	71%	0.713	S	S	*	*			trans	-105.8	130.2	157.6	0	0	0	0	0	108.4
19	P	35.8	Very low	37.8	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	73%	0.731	S	S	*	*			trans	-76.3	131.1	-177	31.4	-31	0	0	0	110.1	S21	P19-S21 PolarHBondContact O-N 3.04Å
20	V	34	Very low	37.2	Very low	153 Å²	153	137.4 Å²	137.4	93%	0.927	73%	0.733	S	S	*	*			trans	-82.6	93.7	162.1	174.9	0	0	0	0	106.9
21	S	29.6	Very low	36.6	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	74%	0.744	S	S	*	*			trans	-163	132.2	158.7	40.9	0	0	0	0	111.8	P19	P19-S21 PolarHBondContact O-N 3.04Å
22	A	30.2	Very low	35.8	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	76%	0.755	S	S	*	*			trans	73.9	109.5	171.2	0	0	0	0	0	116.8
23	L	29.8	Very low	35.3	Very low	178 Å²	178	146.1 Å²	146.1	93%	0.932	76%	0.764	S	S	*	*				-160.6	126.4	96	-88.7	169.3	0	0	0	109.3
24	D	29.7	Very low	34.9	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	76%	0.759	S	S	*	*			trans	-95.1	162.9	170.7	-150	-4.8	0	0	0	108.2
25	E	33.8	Very low	34.6	Very low	164 Å²	164	146.1 Å²	146.1	77%	0.766	77%	0.768	S	S	*	*			trans	86.9	116.4	166.2	-65.9	-176.5	161.2	0	0	122
26	D	32.3	Very low	34.2	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	77%	0.768	S	S	*	*			trans	61.8	132.1	141.8	-69.9	-14.1	0	0	0	119.2
27	D	33.1	Very low	33.9	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	76%	0.763	S	S	*	*			cis	-168.9	166.1	48.4	-127.9	-28.1	0	0	0	112.6
28	D	34.3	Very low	33.8	Very low	113 Å²	113	141.9 Å²	141.9	60%	0.604	76%	0.763	S	S	*	*			trans	-51.6	148.5	-172.8	-160.2	3.8	0	0	0	118.6
29	Y	37.1	Very low	33.8	Very low	233 Å²	233	146.1 Å²	146.1	91%	0.914	77%	0.768	S	S	*	*			trans	-169.7	101.2	137.6	-105.2	-73.7	0	0	0	111.9
30	N	36.2	Very low	34.1	Very low	116 Å²	116	148.5 Å²	148.5	62%	0.62	77%	0.773	S	S	*	*			trans	-35.7	143.9	163.1	-86.7	-68	0	0	0	117.2
31	L	37.7	Very low	34.1	Very low	143 Å²	143	150 Å²	150	75%	0.749	77%	0.77	S	S	*	*				-160.8	106.1	115.8	-139.1	78.1	0	0	0	113.2	Y33	L31-Y33 HydrophobicContact CD2-CD2 3.96Å; L31-Y33 HydrophobicContact CD2-CE2 3.66Å
32	M	32.7	Very low	34.5	Very low	160 Å²	160	148.6 Å²	148.6	79%	0.788	77%	0.771	S	S	*	*			trans	-67.8	129.7	155.7	-79.6	-107.9	-115	0	0	109.7
33	Y	35.9	Very low	35.1	Very low	208 Å²	208	150 Å²	150	82%	0.816	77%	0.772	S	S	*	*			trans	-103.2	96.9	157.4	-107.1	-84.3	0	0	0	108.9	L31	L31-Y33 HydrophobicContact CD2-CD2 3.96Å; L31-Y33 HydrophobicContact CD2-CE2 3.66Å
34	V	34.8	Very low	35.2	Very low	96 Å²	96	147.5 Å²	147.5	58%	0.582	76%	0.764	S	S	*	*			trans	-76.8	132.1	156.9	-176.8	0	0	0	0	106.5	M36	V34-M36 HydrophobicContact CG1-CG 3.69Å
35	N	35.4	Very low	35.4	Very low	160 Å²	160	148 Å²	148	86%	0.856	77%	0.766	S	S	*	*			trans	-118.7	106.2	162.4	-147.3	19.2	0	0	0	107
36	M	33.5	Very low	35.3	Very low	140 Å²	140	143.2 Å²	143.2	69%	0.69	76%	0.76	S	S	*	*			trans	-102.2	159.4	169	-66.7	-141.6	-61.4	0	0	109.9	V34	V34-M36 HydrophobicContact CG1-CG 3.69Å
37	D	32.4	Very low	35.2	Very low	124 Å²	124	142.7 Å²	142.7	66%	0.663	76%	0.763	S	S	*	*			trans	98.1	106.8	156.1	-50.7	-31.3	0	0	0	117.1
38	N	38.2	Very low	35.2	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	76%	0.764	S	S	*	*				-159.9	116.1	92	-93.4	-29	0	0	0	111.9
39	E	34	Very low	35.5	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	78%	0.775	S	S	*	*			trans	-63.9	133	155.6	-65.9	-179.7	152.9	0	0	109.6
40	I	41.3	Very low	35.5	Very low	165 Å²	165	142.4 Å²	142.4	85%	0.846	77%	0.77	S	S	*	*			trans	-124.3	105.4	155.7	-63.2	179.4	0	0	0	106.2
41	E	35.1	Very low	35.5	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	78%	0.778	S	S	*	*			trans	-74.8	135.9	165.4	-74.8	-174.6	145.8	0	0	110.4
42	G	36.1	Very low	35.3	Very low	68 Å²	68	140.4 Å²	140.4	70%	0.701	78%	0.783	S	S	*	*			trans	-157.1	119.5	166.5	0	0	0	0	0	109.4
43	P	44	Very low	35.7	Very low	122 Å²	122	138.3 Å²	138.3	79%	0.792	78%	0.783	S	S	*	*			trans	-90.4	163.3	-173.5	33.7	-29.5	0	0	0	112.2
44	V	32.3	Very low	35.8	Very low	126 Å²	126	136.2 Å²	136.2	76%	0.764	79%	0.786	S	S	*	*			trans	145	130.9	133.6	171.3	0	0	0	0	113.6
45	L	32.3	Very low	36.2	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	79%	0.793	S	S	*	*			trans	0.8	134.7	159.8	-76.2	89.7	0	0	0	120.9
46	G	31.8	Very low	36.8	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	80%	0.797	S	S	*	*				92.6	135.9	110.1	0	0	0	0	0	119.6
47	T	31.2	Very low	37.7	Very low	131 Å²	131	143.4 Å²	143.4	80%	0.804	81%	0.807	S	S	*	*			trans	78.1	117.8	151.7	47.3	0	0	0	0	121.4
48	E	34	Very low	38.7	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	82%	0.819	S	S	*	*			trans	58.9	118.7	130.3	-66.2	-178.5	165.4	0	0	122.1
49	E	40.3	Very low	39.7	Very low	176 Å²	176	145 Å²	145	82%	0.822	81%	0.805	S	S	*	*				26.8	130.5	128.6	-93.9	-177	-177.8	0	0	122.8
50	T	36	Very low	41.2	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	79%	0.79	S	S	*	*			trans	84.5	124.5	143.9	65	0	0	0	0	121.7
51	A	36	Very low	42.1	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	79%	0.786	S	S	*	*			trans	145.2	101.5	133.7	0	0	0	0	0	109.2
52	S	34.6	Very low	43.3	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	78%	0.777	S	S	*	*				72.5	125.3	86.3	-160.9	0	0	0	0	114.1
53	C	41	Very low	44.7	Very low	117 Å²	117	139.9 Å²	139.9	79%	0.791	76%	0.759	S	S	*	*			trans	-71.4	163.5	-165.6	-54.7	0	0	0	0	114.6
54	D	37	Very low	45.8	Very low	164 Å²	164	140.3 Å²	140.3	88%	0.877	75%	0.749	S	S	*	*				-164.4	139	111.3	-146.7	-9	0	0	0	112.5
55	C	44.2	Very low	47.2	Very low	107 Å²	107	138.8 Å²	138.8	72%	0.723	74%	0.736	S	S	*	*			trans	-120.1	121.1	-173.8	-63.3	0	0	0	0	109.3
56	Q	48	Very low	48.7	Very low	203 Å²	203	138 Å²	138	95%	0.949	73%	0.726	S	S	*	*			trans	-166.4	108.7	147.1	-110.9	176.8	18	0	0	110.7
57	R	52.8	Low	50.4	Low	237 Å²	237	138.2 Å²	138.2	89%	0.894	71%	0.711	S	S	*	*			trans	-130	120.4	164.3	-117	179.7	-176.8	167.4	1.7	107.8	H59	R57-H59 PolarHBondContact O-N 2.89Å
58	E	53.5	Low	52	Low	196 Å²	196	138.7 Å²	138.7	92%	0.916	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.5	175.2	-73.8	-179.1	142.2	0	0	110.3	T60	E58-T60 PolarHBondContact O-N 2.92Å
59	H	58.7	Low	53.3	Low	117 Å²	117	134.9 Å²	134.9	54%	0.542	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-63.8	126.9	-176.1	-75.2	-60.4	0	0	0	112.2	R57 D63	R57-H59 PolarHBondContact O-N 2.89Å; H59-D63 WeakPolarHBondContact CA-OD2 3.46Å; H59-D63 HydrophobicContact CB-CB 3.58Å; H59-D63 IonicContact ND1-OD2 3.73Å
60	T	65.4	Low	54.6	Low	81 Å²	81	132.9 Å²	132.9	50%	0.497	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-68.8	166.5	176.6	61.8	0	0	0	0	111.6	E58 W62 D63 K64	E58-T60 PolarHBondContact O-N 2.92Å; T60-W62 PolarHBondContact O-N 3.36Å; T60-W62 VanDerWaalsContact O-N 3.13Å; T60-D63 PolarHBondContact N-OD2 3.03Å; T60-D63 WeakPolarHBondContact O-CB 3.29Å; T60-D63 PolarHBondContact O-N 3.42Å; T60-D63 PolarHBondContact OG1-OD2 2.67Å; T60-K64 PolarHBondContact O-N 2.99Å
61	E	60.2	Low	56.1	Low	165 Å²	165	130.6 Å²	130.6	77%	0.771	66%	0.664	S	S	*	*	H	α-helix	trans	-55.6	-31.3	178.9	-71.4	-170.9	143.5	0	0	113.1	K64 L65	E61-K64 PolarHBondContact O-N 3.23Å; E61-L65 PolarHBondContact O-N 3.39Å
62	W	60.1	Low	57.6	Low	179 Å²	179	129.8 Å²	129.8	68%	0.678	65%	0.653	S	S	*	*	H	α-helix	trans	-68.9	-40.1	174.2	-70.7	106.2	0	0	0	112.7	T60 K64 L65 F66	T60-W62 PolarHBondContact O-N 3.36Å; T60-W62 VanDerWaalsContact O-N 3.13Å; W62-K64 VanDerWaalsContact C-N 3.28Å; W62-K64 PolarHBondContact O-N 2.75Å; W62-L65 WeakPolarHBondContact O-CB 3.47Å; W62-L65 PolarHBondContact O-N 3Å; W62-L65 VanDerWaalsContact O-N 3.12Å; W62-F66 VanDerWaalsContact O-CD2 3.25Å; W62-F66 WeakPolarHBondContact O-CD2 3.38Å; W62-F66 PolarHBondContact O-N 3.41Å
63	D	65.2	Low	59.1	Low	61 Å²	61	129.8 Å²	129.8	33%	0.326	64%	0.639	S	S	.	*	H	α-helix	trans	-61.7	-39	175.7	-64.3	-48	0	0	0	111	H59 T60 L65 F66 I67	H59-D63 WeakPolarHBondContact CA-OD2 3.46Å; H59-D63 HydrophobicContact CB-CB 3.58Å; H59-D63 IonicContact ND1-OD2 3.73Å; T60-D63 PolarHBondContact N-OD2 3.03Å; T60-D63 WeakPolarHBondContact O-CB 3.29Å; T60-D63 PolarHBondContact O-N 3.42Å; T60-D63 PolarHBondContact OG1-OD2 2.67Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.48Å; D63-F66 PolarHBondContact O-N 2.9Å; D63-I67 WeakPolarHBondContact O-CB 3.28Å; D63-I67 WeakPolarHBondContact O-CD1 3.46Å; D63-I67 WeakPolarHBondContact O-CG1 3.43Å; D63-I67 PolarHBondContact O-N 3.23Å
64	K	67.1	Low	60.7	Low	131 Å²	131	129.6 Å²	129.6	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-65.4	-36.7	175	-65.8	177.5	-175.3	172.8	0	112.3	T60 E61 W62 M68	T60-K64 PolarHBondContact O-N 2.99Å; E61-K64 PolarHBondContact O-N 3.23Å; W62-K64 VanDerWaalsContact C-N 3.28Å; W62-K64 PolarHBondContact O-N 2.75Å; K64-M68 WeakPolarHBondContact O-CB 3.45Å; K64-M68 WeakPolarHBondContact O-CG 3.44Å; K64-M68 PolarHBondContact O-N 2.86Å
65	L	61.5	Low	62.3	Low	93 Å²	93	129 Å²	129	49%	0.487	62%	0.618	S	S	.	*	H	α-helix	trans	-70	-40.6	178	-127	154.3	0	0	0	111.4	E61 W62 D63 M68 L69	E61-L65 PolarHBondContact O-N 3.39Å; W62-L65 WeakPolarHBondContact O-CB 3.47Å; W62-L65 PolarHBondContact O-N 3Å; W62-L65 VanDerWaalsContact O-N 3.12Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.48Å; L65-M68 PolarHBondContact O-N 3.36Å; L65-L69 PolarHBondContact O-N 3.19Å
66	F	63.8	Low	63.8	Low	144 Å²	144	129.7 Å²	129.7	63%	0.632	61%	0.61	S	S	*	*	H	α-helix	trans	-65	-43.7	172.2	-83.4	-72	0	0	0	112	W62 D63 M68 L69 E70	W62-F66 VanDerWaalsContact O-CD2 3.25Å; W62-F66 WeakPolarHBondContact O-CD2 3.38Å; W62-F66 PolarHBondContact O-N 3.41Å; D63-F66 PolarHBondContact O-N 2.9Å; F66-M68 VanDerWaalsContact C-N 3.28Å; F66-M68 PolarHBondContact O-N 2.94Å; F66-L69 PolarHBondContact O-N 3.3Å; F66-E70 WeakPolarHBondContact O-CB 3.32Å; F66-E70 PolarHBondContact O-N 3.24Å
67	I	68.1	Low	64.8	Low	70 Å²	70	125 Å²	125	36%	0.359	59%	0.592	S	S	.	*	H	α-helix	trans	-62.5	-35.1	174.4	-68.6	163.4	0	0	0	111.5	D63 N71	D63-I67 WeakPolarHBondContact O-CB 3.28Å; D63-I67 WeakPolarHBondContact O-CD1 3.46Å; D63-I67 WeakPolarHBondContact O-CG1 3.43Å; D63-I67 PolarHBondContact O-N 3.23Å; I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.49Å; I67-N71 PolarHBondContact O-ND2 3.13Å
68	M	64.5	Low	65.6	Low	140 Å²	140	119.2 Å²	119.2	69%	0.69	58%	0.576	S	S	*	*	H	α-helix	trans	-69.9	-40.1	173.9	-84.5	-172	61.2	0	0	112.5	K64 L65 F66 N71 S72	K64-M68 WeakPolarHBondContact O-CB 3.45Å; K64-M68 WeakPolarHBondContact O-CG 3.44Å; K64-M68 PolarHBondContact O-N 2.86Å; L65-M68 PolarHBondContact O-N 3.36Å; F66-M68 VanDerWaalsContact C-N 3.28Å; F66-M68 PolarHBondContact O-N 2.94Å; M68-N71 PolarHBondContact O-N 2.9Å; M68-S72 PolarHBondContact O-N 3.27Å; M68-S72 VanDerWaalsContact O-N 3.08Å
69	L	61.6	Low	66	Low	101 Å²	101	116 Å²	116	53%	0.529	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-42.9	177.5	-133.7	98.6	0	0	0	111.2	L65 F66 S72 Q73	L65-L69 PolarHBondContact O-N 3.19Å; F66-L69 PolarHBondContact O-N 3.3Å; L69-S72 WeakPolarHBondContact O-CB 3.3Å; L69-S72 PolarHBondContact O-N 2.73Å; L69-S72 VanDerWaalsContact O-N 3.14Å; L69-Q73 PolarHBondContact O-N 2.85Å
70	E	67.4	Low	66.3	Low	134 Å²	134	115.2 Å²	115.2	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-64	-42	177.1	-169.5	175.1	-159.5	0	0	111.2	F66 S72 Q73 M74	F66-E70 WeakPolarHBondContact O-CB 3.32Å; F66-E70 PolarHBondContact O-N 3.24Å; E70-S72 VanDerWaalsContact C-N 3.28Å; E70-S72 PolarHBondContact O-N 3.4Å; E70-Q73 PolarHBondContact O-N 2.96Å; E70-M74 WeakPolarHBondContact O-CB 3.37Å; E70-M74 PolarHBondContact O-N 2.83Å
71	N	67.8	Low	66.6	Low	86 Å²	86	117.6 Å²	117.6	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-62.5	-32.6	172.5	-95	-61.7	0	0	0	113.3	I67 M68 K75	I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.49Å; I67-N71 PolarHBondContact O-ND2 3.13Å; M68-N71 PolarHBondContact O-N 2.9Å; N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 WeakPolarHBondContact O-CG 3.47Å; N71-K75 PolarHBondContact O-N 3.29Å; N71-K75 VanDerWaalsContact O-N 3.13Å
72	S	68.2	Low	67.1	Low	77 Å²	77	112.1 Å²	112.1	54%	0.538	55%	0.55	S	S	.	*	H	α-helix	trans	-72.5	-46.1	177.6	-166.2	0	0	0	0	111.4	M68 L69 E70 K75 E76	M68-S72 PolarHBondContact O-N 3.27Å; M68-S72 VanDerWaalsContact O-N 3.08Å; L69-S72 WeakPolarHBondContact O-CB 3.3Å; L69-S72 PolarHBondContact O-N 2.73Å; L69-S72 VanDerWaalsContact O-N 3.14Å; E70-S72 VanDerWaalsContact C-N 3.28Å; E70-S72 PolarHBondContact O-N 3.4Å; S72-K75 PolarHBondContact O-N 3.36Å; S72-E76 PolarHBondContact O-N 3.05Å
73	Q	65.9	Low	67.3	Low	123 Å²	123	107.5 Å²	107.5	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-38.6	176	-84.2	-175.2	-26.7	0	0	112.3	L69 E70 K75 E76 N77	L69-Q73 PolarHBondContact O-N 2.85Å; E70-Q73 PolarHBondContact O-N 2.96Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.01Å; Q73-E76 PolarHBondContact O-N 3.45Å; Q73-N77 WeakPolarHBondContact O-CB 3.34Å; Q73-N77 PolarHBondContact O-N 3.36Å
74	M	73.1	Confident	67.4	Low	112 Å²	112	109.3 Å²	109.3	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-38.1	175.9	-175	178.9	154.4	0	0	111.6	E70 M78	E70-M74 WeakPolarHBondContact O-CB 3.37Å; E70-M74 PolarHBondContact O-N 2.83Å; M74-M78 HydrophobicContact CE-SD 4.25Å; M74-M78 WeakPolarHBondContact O-CB 3.41Å; M74-M78 WeakPolarHBondContact O-CG 3.37Å; M74-M78 PolarHBondContact O-N 2.95Å
75	K	71.3	Confident	67.5	Low	153 Å²	153	108 Å²	108	67%	0.665	54%	0.544	S	S	*	.	H	α-helix	trans	-67.5	-41.1	174.3	-85.1	-178.8	177.6	178	0	113	N71 S72 Q73 M78 M79	N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 WeakPolarHBondContact O-CG 3.47Å; N71-K75 PolarHBondContact O-N 3.29Å; N71-K75 VanDerWaalsContact O-N 3.13Å; S72-K75 PolarHBondContact O-N 3.36Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.01Å; K75-M78 PolarHBondContact O-N 2.92Å; K75-M79 WeakPolarHBondContact O-CB 3.45Å; K75-M79 PolarHBondContact O-N 3.19Å
76	E	75.3	Confident	67.9	Low	120 Å²	120	108.7 Å²	108.7	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-63.1	-46.6	177.2	-172.3	174.7	-179.3	0	0	111	S72 Q73 M78 M79 L80	S72-E76 PolarHBondContact O-N 3.05Å; Q73-E76 PolarHBondContact O-N 3.45Å; E76-M78 PolarHBondContact O-N 3.21Å; E76-M79 PolarHBondContact O-N 2.93Å; E76-M79 VanDerWaalsContact O-N 3.17Å; E76-L80 HydrophobicContact CG-CD1 4.4Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.18Å
77	N	70.4	Confident	67.7	Low	104 Å²	104	106.8 Å²	106.8	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-64.3	-40.5	176.3	-77.9	-16.4	0	0	0	112.5	Q73 M79 L80 Q81	Q73-N77 WeakPolarHBondContact O-CB 3.34Å; Q73-N77 PolarHBondContact O-N 3.36Å; N77-M79 VanDerWaalsContact C-N 3.3Å; N77-M79 PolarHBondContact O-N 3.47Å; N77-L80 PolarHBondContact O-N 2.89Å; N77-Q81 VanDerWaalsContact O-CB 3.32Å; N77-Q81 WeakPolarHBondContact O-CB 3.24Å; N77-Q81 PolarHBondContact O-N 2.97Å
78	M	68.4	Low	67.6	Low	116 Å²	116	108.5 Å²	108.5	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-62.8	-36.9	173.6	-82.9	-170.5	64.8	0	0	112.4	M74 K75 E76 A82	M74-M78 HydrophobicContact CE-SD 4.25Å; M74-M78 WeakPolarHBondContact O-CB 3.41Å; M74-M78 WeakPolarHBondContact O-CG 3.37Å; M74-M78 PolarHBondContact O-N 2.95Å; K75-M78 PolarHBondContact O-N 2.92Å; E76-M78 PolarHBondContact O-N 3.21Å; M78-A82 WeakPolarHBondContact O-CB 3.45Å; M78-A82 PolarHBondContact O-N 3.18Å
79	M	61.5	Low	68.1	Low	129 Å²	129	105.7 Å²	105.7	64%	0.635	54%	0.538	S	S	*	.	H	α-helix	trans	-70.8	-41.6	178.6	-168.1	174.4	-170.8	0	0	111.6	K75 E76 N77 Q81 A82 I83	K75-M79 WeakPolarHBondContact O-CB 3.45Å; K75-M79 PolarHBondContact O-N 3.19Å; E76-M79 PolarHBondContact O-N 2.93Å; E76-M79 VanDerWaalsContact O-N 3.17Å; N77-M79 VanDerWaalsContact C-N 3.3Å; N77-M79 PolarHBondContact O-N 3.47Å; M79-Q81 VanDerWaalsContact C-N 3.35Å; M79-A82 PolarHBondContact O-N 3.38Å; M79-I83 HydrophobicContact CG-CD1 4.26Å; M79-I83 WeakPolarHBondContact O-CG1 3.27Å; M79-I83 PolarHBondContact O-N 2.83Å
80	L	66.4	Low	68.3	Low	101 Å²	101	107 Å²	107	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-41.5	174.6	-72.5	171.7	0	0	0	111.7	E76 N77 I83 D84	E76-L80 HydrophobicContact CG-CD1 4.4Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.18Å; N77-L80 PolarHBondContact O-N 2.89Å; L80-I83 PolarHBondContact O-N 3.45Å; L80-D84 WeakPolarHBondContact O-CB 3.5Å; L80-D84 PolarHBondContact O-N 3.37Å
81	Q	71.2	Confident	68	Low	130 Å²	130	106.4 Å²	106.4	61%	0.607	54%	0.542	S	S	*	.	H	α-helix	trans	-67.2	-36.9	177.6	-163.7	172.3	4.6	0	0	112.1	N77 M79 D84 E85	N77-Q81 VanDerWaalsContact O-CB 3.32Å; N77-Q81 WeakPolarHBondContact O-CB 3.24Å; N77-Q81 PolarHBondContact O-N 2.97Å; M79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-D84 PolarHBondContact O-N 2.88Å; Q81-E85 WeakPolarHBondContact O-CB 3.38Å; Q81-E85 WeakPolarHBondContact O-CG 3.37Å; Q81-E85 PolarHBondContact O-N 3.47Å
82	A	69.8	Low	68	Low	50 Å²	50	107.6 Å²	107.6	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-38.7	174.1	0	0	0	0	0	112.4	M78 M79 I86	M78-A82 WeakPolarHBondContact O-CB 3.45Å; M78-A82 PolarHBondContact O-N 3.18Å; M79-A82 PolarHBondContact O-N 3.38Å; A82-I86 WeakPolarHBondContact O-CD1 3.17Å; A82-I86 VanDerWaalsContact O-CG1 3.22Å; A82-I86 WeakPolarHBondContact O-CG1 3.25Å; A82-I86 PolarHBondContact O-N 2.92Å; A82-I86 VanDerWaalsContact O-N 3.13Å
83	I	64.9	Low	68.3	Low	82 Å²	82	107.4 Å²	107.4	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-42.1	176.4	-69.7	167.7	0	0	0	110.8	M79 L80 I86 L87	M79-I83 HydrophobicContact CG-CD1 4.26Å; M79-I83 WeakPolarHBondContact O-CG1 3.27Å; M79-I83 PolarHBondContact O-N 2.83Å; L80-I83 PolarHBondContact O-N 3.45Å; I83-I86 PolarHBondContact O-N 3.38Å; I83-L87 HydrophobicContact CG2-CD1 3.74Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CB 3.43Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.42Å
84	D	66.9	Low	68.3	Low	100 Å²	100	105.1 Å²	105.1	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-44.9	178	-169.8	62.7	0	0	0	112	L80 Q81 I86 L87 K88	L80-D84 WeakPolarHBondContact O-CB 3.5Å; L80-D84 PolarHBondContact O-N 3.37Å; Q81-D84 PolarHBondContact O-N 2.88Å; D84-I86 PolarHBondContact O-N 3.39Å; D84-L87 PolarHBondContact O-N 2.89Å; D84-K88 WeakPolarHBondContact O-CB 3.4Å; D84-K88 PolarHBondContact O-N 3.42Å
85	E	70.6	Confident	67.8	Low	103 Å²	103	105.8 Å²	105.8	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-42.7	176.4	-76.7	-74.6	151.8	0	0	112.1	Q81 K88 V89	Q81-E85 WeakPolarHBondContact O-CB 3.38Å; Q81-E85 WeakPolarHBondContact O-CG 3.37Å; Q81-E85 PolarHBondContact O-N 3.47Å; E85-K88 PolarHBondContact O-N 3.48Å; E85-V89 WeakPolarHBondContact O-CG2 3.3Å; E85-V89 PolarHBondContact O-N 2.85Å
86	I	69.4	Low	68	Low	107 Å²	107	101.2 Å²	101.2	55%	0.549	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-47.9	178.3	-68.7	166.6	0	0	0	110.9	A82 I83 D84 K88 V89 E90	A82-I86 WeakPolarHBondContact O-CD1 3.17Å; A82-I86 VanDerWaalsContact O-CG1 3.22Å; A82-I86 WeakPolarHBondContact O-CG1 3.25Å; A82-I86 PolarHBondContact O-N 2.92Å; A82-I86 VanDerWaalsContact O-N 3.13Å; I83-I86 PolarHBondContact O-N 3.38Å; D84-I86 PolarHBondContact O-N 3.39Å; I86-K88 VanDerWaalsContact C-N 3.28Å; I86-K88 PolarHBondContact O-N 2.96Å; I86-V89 PolarHBondContact O-N 3.32Å; I86-E90 PolarHBondContact O-N 3.5Å; I86-E90 VanDerWaalsContact O-N 3.11Å
87	L	58.8	Low	68.1	Low	104 Å²	104	101.7 Å²	101.7	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-36.1	-179.8	-73.6	173	0	0	0	112	I83 D84 L91	I83-L87 HydrophobicContact CG2-CD1 3.74Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CB 3.43Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.42Å; D84-L87 PolarHBondContact O-N 2.89Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 PolarHBondContact O-N 3.42Å
88	K	66.5	Low	67.6	Low	106 Å²	106	102.1 Å²	102.1	46%	0.461	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-41.6	177.5	-173.6	177.3	-179.4	-178	0	112.1	D84 E85 I86 Q92	D84-K88 WeakPolarHBondContact O-CB 3.4Å; D84-K88 PolarHBondContact O-N 3.42Å; E85-K88 PolarHBondContact O-N 3.48Å; I86-K88 VanDerWaalsContact C-N 3.28Å; I86-K88 PolarHBondContact O-N 2.96Å; K88-Q92 WeakPolarHBondContact O-CB 3.42Å; K88-Q92 VanDerWaalsContact O-CG 3.24Å; K88-Q92 WeakPolarHBondContact O-CG 3.3Å; K88-Q92 PolarHBondContact O-N 3.06Å
89	V	74.4	Confident	67.4	Low	81 Å²	81	99.9 Å²	99.9	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-44.3	178	173.5	0	0	0	0	111.1	E85 I86 Q92 T93	E85-V89 WeakPolarHBondContact O-CG2 3.3Å; E85-V89 PolarHBondContact O-N 2.85Å; I86-V89 PolarHBondContact O-N 3.32Å; V89-Q92 PolarHBondContact O-N 2.96Å; V89-T93 PolarHBondContact O-N 3.27Å; V89-T93 PolarHBondContact O-OG1 2.86Å
90	E	66.8	Low	68	Low	128 Å²	128	100 Å²	100	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-65.8	-41.1	177.6	-69.8	-158.8	165.3	0	0	112	I86 Q92 T93 V94	I86-E90 PolarHBondContact O-N 3.5Å; I86-E90 VanDerWaalsContact O-N 3.11Å; E90-Q92 PolarHBondContact O-N 2.97Å; E90-T93 PolarHBondContact O-N 2.91Å; E90-V94 WeakPolarHBondContact O-CG2 3.37Å; E90-V94 PolarHBondContact O-N 3.26Å
91	L	60.8	Low	68.1	Low	123 Å²	123	99.9 Å²	99.9	64%	0.644	53%	0.525	S	S	*	.	H	α-helix	trans	-63.5	-41.2	177.6	-173.3	66.7	0	0	0	112	L87 T93 V94 Q95	L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 PolarHBondContact O-N 3.42Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.34Å; L91-V94 PolarHBondContact O-N 2.9Å; L91-Q95 VanDerWaalsContact O-CB 3.31Å; L91-Q95 WeakPolarHBondContact O-CB 3.01Å; L91-Q95 PolarHBondContact O-N 3.22Å
92	Q	68.3	Low	67.6	Low	111 Å²	111	96.6 Å²	96.6	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-37.5	175.5	-76.4	178.7	-10.1	0	0	112.2	K88 V89 E90 Q95 A96	K88-Q92 WeakPolarHBondContact O-CB 3.42Å; K88-Q92 VanDerWaalsContact O-CG 3.24Å; K88-Q92 WeakPolarHBondContact O-CG 3.3Å; K88-Q92 PolarHBondContact O-N 3.06Å; V89-Q92 PolarHBondContact O-N 2.96Å; E90-Q92 PolarHBondContact O-N 2.97Å; Q92-Q95 PolarHBondContact O-N 2.81Å; Q92-A96 WeakPolarHBondContact O-CB 3.26Å; Q92-A96 PolarHBondContact O-N 3.44Å
93	T	74.4	Confident	67.6	Low	72 Å²	72	97 Å²	97	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-66.4	-47.1	178.1	-52.4	0	0	0	0	110.8	V89 E90 L91 Q95 A96 E97	V89-T93 PolarHBondContact O-N 3.27Å; V89-T93 PolarHBondContact O-OG1 2.86Å; E90-T93 PolarHBondContact O-N 2.91Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.34Å; T93-Q95 VanDerWaalsContact C-N 3.33Å; T93-Q95 PolarHBondContact O-N 3.39Å; T93-A96 PolarHBondContact O-N 3.41Å; T93-E97 PolarHBondContact O-N 3.03Å
94	V	65.1	Low	67.9	Low	76 Å²	76	97.3 Å²	97.3	46%	0.461	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-40.3	176.3	172.8	0	0	0	0	111.4	E90 L91 A96 E97 L98	E90-V94 WeakPolarHBondContact O-CG2 3.37Å; E90-V94 PolarHBondContact O-N 3.26Å; L91-V94 PolarHBondContact O-N 2.9Å; V94-A96 VanDerWaalsContact C-N 3.32Å; V94-A96 PolarHBondContact O-N 3.36Å; V94-E97 PolarHBondContact O-N 3.47Å; V94-L98 HydrophobicContact CG1-CD1 4.11Å; V94-L98 WeakPolarHBondContact O-CB 3.13Å; V94-L98 PolarHBondContact O-N 3.5Å
95	Q	62.9	Low	67.8	Low	125 Å²	125	99.4 Å²	99.4	58%	0.584	53%	0.531	S	S	*	.	H	α-helix	trans	-63	-38.4	176.7	-171.5	178.8	16.4	0	0	112.1	L91 Q92 T93 S99	L91-Q95 VanDerWaalsContact O-CB 3.31Å; L91-Q95 WeakPolarHBondContact O-CB 3.01Å; L91-Q95 PolarHBondContact O-N 3.22Å; Q92-Q95 PolarHBondContact O-N 2.81Å; T93-Q95 VanDerWaalsContact C-N 3.33Å; T93-Q95 PolarHBondContact O-N 3.39Å; Q95-S99 WeakPolarHBondContact O-CB 3.28Å; Q95-S99 PolarHBondContact O-N 2.91Å; Q95-S99 PolarHBondContact O-OG 3.4Å
96	A	74.5	Confident	67.3	Low	57 Å²	57	97.4 Å²	97.4	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-67.1	-45	176.8	0	0	0	0	0	111.9	Q92 T93 V94 S99 Q100	Q92-A96 WeakPolarHBondContact O-CB 3.26Å; Q92-A96 PolarHBondContact O-N 3.44Å; T93-A96 PolarHBondContact O-N 3.41Å; V94-A96 VanDerWaalsContact C-N 3.32Å; V94-A96 PolarHBondContact O-N 3.36Å; A96-S99 PolarHBondContact O-N 3.45Å; A96-Q100 WeakPolarHBondContact O-CB 3.43Å; A96-Q100 PolarHBondContact O-N 2.94Å
97	E	77.4	Confident	67.3	Low	130 Å²	130	95.5 Å²	95.5	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-62.6	-43.5	177.5	-71.1	-176	174.1	0	0	112.2	T93 V94 S99 Q100 L101	T93-E97 PolarHBondContact O-N 3.03Å; V94-E97 PolarHBondContact O-N 3.47Å; E97-S99 VanDerWaalsContact C-N 3.34Å; E97-S99 PolarHBondContact O-N 3.09Å; E97-Q100 PolarHBondContact O-N 3.18Å; E97-L101 WeakPolarHBondContact O-CB 3.31Å; E97-L101 PolarHBondContact O-N 3.37Å
98	L	61.6	Low	67.9	Low	113 Å²	113	94.9 Å²	94.9	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-40.3	175.5	-107.9	148.5	0	0	0	112.2	V94 L101 A102	V94-L98 HydrophobicContact CG1-CD1 4.11Å; V94-L98 WeakPolarHBondContact O-CB 3.13Å; V94-L98 PolarHBondContact O-N 3.5Å; L98-L101 PolarHBondContact O-N 3.19Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 3.01Å
99	S	63.8	Low	67.4	Low	70 Å²	70	98.1 Å²	98.1	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-40.2	178.4	-59.2	0	0	0	0	111.7	Q95 A96 E97 A102 A103	Q95-S99 WeakPolarHBondContact O-CB 3.28Å; Q95-S99 PolarHBondContact O-N 2.91Å; Q95-S99 PolarHBondContact O-OG 3.4Å; A96-S99 PolarHBondContact O-N 3.45Å; E97-S99 VanDerWaalsContact C-N 3.34Å; E97-S99 PolarHBondContact O-N 3.09Å; S99-A102 PolarHBondContact O-N 2.69Å; S99-A103 WeakPolarHBondContact O-CB 3.38Å; S99-A103 PolarHBondContact O-N 3.34Å
100	Q	72.7	Confident	66.9	Low	131 Å²	131	97 Å²	97	61%	0.612	54%	0.539	S	S	*	.	H	α-helix	trans	-68.9	-39.5	177.3	-172.2	170.6	-1.6	0	0	112	A96 E97 A103 N104	A96-Q100 WeakPolarHBondContact O-CB 3.43Å; A96-Q100 PolarHBondContact O-N 2.94Å; E97-Q100 PolarHBondContact O-N 3.18Å; Q100-A103 PolarHBondContact O-N 2.9Å; Q100-N104 WeakPolarHBondContact O-CB 3.44Å; Q100-N104 VanDerWaalsContact O-CG 3.25Å; Q100-N104 PolarHBondContact O-N 2.99Å; Q100-N104 PolarHBondContact O-ND2 3.24Å
101	L	68.8	Low	67	Low	98 Å²	98	94.9 Å²	94.9	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-48.6	173.1	-168.8	75.3	0	0	0	110.6	E97 L98 A103 N104 F105	E97-L101 WeakPolarHBondContact O-CB 3.31Å; E97-L101 PolarHBondContact O-N 3.37Å; L98-L101 PolarHBondContact O-N 3.19Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 2.68Å; L101-N104 PolarHBondContact O-N 2.96Å; L101-F105 HydrophobicContact CD1-CD2 4.12Å; L101-F105 HydrophobicContact CD1-CE2 3.75Å; L101-F105 HydrophobicContact CG-CD2 3.91Å; L101-F105 HydrophobicContact CG-CE2 3.92Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.39Å
102	A	60.1	Low	67.3	Low	61 Å²	61	91.5 Å²	91.5	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-59.8	-42.7	178.6	0	0	0	0	0	112.4	L98 S99 F105 A106	L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 3.01Å; S99-A102 PolarHBondContact O-N 2.69Å; A102-F105 PolarHBondContact O-N 3.48Å; A102-A106 WeakPolarHBondContact O-CB 3.35Å; A102-A106 PolarHBondContact O-N 3.21Å
103	A	70.2	Confident	67.2	Low	59 Å²	59	89 Å²	89	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.5	0	0	0	0	0	112.6	S99 Q100 L101 A106 S107	S99-A103 WeakPolarHBondContact O-CB 3.38Å; S99-A103 PolarHBondContact O-N 3.34Å; Q100-A103 PolarHBondContact O-N 2.9Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 2.68Å; A103-A106 PolarHBondContact O-N 3.03Å; A103-S107 PolarHBondContact O-N 3.37Å
104	N	72.8	Confident	66.7	Low	89 Å²	89	92.3 Å²	92.3	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-67.9	-40.1	178.9	-72.2	-18.7	0	0	0	112.4	Q100 L101 S107 T108	Q100-N104 WeakPolarHBondContact O-CB 3.44Å; Q100-N104 VanDerWaalsContact O-CG 3.25Å; Q100-N104 PolarHBondContact O-N 2.99Å; Q100-N104 PolarHBondContact O-ND2 3.24Å; L101-N104 PolarHBondContact O-N 2.96Å; N104-S107 PolarHBondContact O-OG 2.89Å; N104-T108 WeakPolarHBondContact O-CB 3.47Å; N104-T108 PolarHBondContact O-N 3.37Å; N104-T108 PolarHBondContact O-OG1 2.99Å
105	F	63.8	Low	67.1	Low	143 Å²	143	96.4 Å²	96.4	63%	0.627	54%	0.539	S	S	*	.	H	α-helix	trans	-66.7	-42.1	175	-90.3	-79.8	0	0	0	111.8	L101 A102 Y109	L101-F105 HydrophobicContact CD1-CD2 4.12Å; L101-F105 HydrophobicContact CD1-CE2 3.75Å; L101-F105 HydrophobicContact CG-CD2 3.91Å; L101-F105 HydrophobicContact CG-CE2 3.92Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.39Å; A102-F105 PolarHBondContact O-N 3.48Å; F105-Y109 VanDerWaalsContact O-CB 3.31Å; F105-Y109 WeakPolarHBondContact O-CB 3.39Å; F105-Y109 PolarHBondContact O-N 2.97Å
106	A	61.3	Low	67.5	Low	62 Å²	62	94.5 Å²	94.5	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-44.3	178.4	0	0	0	0	0	112.4	A102 A103 A110	A102-A106 WeakPolarHBondContact O-CB 3.35Å; A102-A106 PolarHBondContact O-N 3.21Å; A103-A106 PolarHBondContact O-N 3.03Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3Å
107	S	69.3	Low	66.8	Low	67 Å²	67	95.1 Å²	95.1	47%	0.469	53%	0.534	S	S	.	.	H	α-helix	trans	-70.7	-38.9	-178.2	84.2	0	0	0	0	112.6	A103 N104 T111	A103-S107 PolarHBondContact O-N 3.37Å; N104-S107 PolarHBondContact O-OG 2.89Å; S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 VanDerWaalsContact O-CG2 3.31Å; S107-T111 WeakPolarHBondContact O-CG2 3.38Å; S107-T111 PolarHBondContact O-N 3.01Å; S107-T111 VanDerWaalsContact O-N 3.08Å; S107-T111 PolarHBondContact O-OG1 3.5Å
108	T	70.6	Confident	66.4	Low	91 Å²	91	92.2 Å²	92.2	56%	0.558	53%	0.528	S	S	*	.	H	α-helix	trans	-69.4	-40.4	179.6	-50.1	0	0	0	0	111.1	N104 T111 A112	N104-T108 WeakPolarHBondContact O-CB 3.47Å; N104-T108 PolarHBondContact O-N 3.37Å; N104-T108 PolarHBondContact O-OG1 2.99Å; T108-T111 PolarHBondContact O-OG1 3.06Å; T108-T111 VanDerWaalsContact O-OG1 3.06Å; T108-A112 WeakPolarHBondContact O-CB 3.43Å; T108-A112 PolarHBondContact O-N 3.49Å; T108-A112 VanDerWaalsContact O-N 3.11Å
109	Y	56.9	Low	67.1	Low	174 Å²	174	92.3 Å²	92.3	68%	0.682	53%	0.525	S	S	*	.	H	α-helix	trans	-70.1	-42.8	177.3	-168.5	-97.4	0	0	0	111.7	F105 T111 A112 V113	F105-Y109 VanDerWaalsContact O-CB 3.31Å; F105-Y109 WeakPolarHBondContact O-CB 3.39Å; F105-Y109 PolarHBondContact O-N 2.97Å; Y109-T111 PolarHBondContact O-N 2.95Å; Y109-A112 PolarHBondContact O-N 3.37Å; Y109-V113 HydrophobicContact CD1-CG2 3.82Å; Y109-V113 HydrophobicContact CE1-CG2 3.49Å; Y109-V113 VanDerWaalsContact CE1-CG2 3.49Å; Y109-V113 HydrophobicContact CE2-CG2 4.33Å; Y109-V113 HydrophobicContact CG-CG2 4.37Å; Y109-V113 WeakPolarHBondContact O-CB 3.43Å; Y109-V113 VanDerWaalsContact O-CG2 3.26Å; Y109-V113 WeakPolarHBondContact O-CG2 3.34Å; Y109-V113 PolarHBondContact O-N 3.47Å
110	A	62.5	Low	67.5	Low	56 Å²	56	93.5 Å²	93.5	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-46.6	177.8	0	0	0	0	0	112	A106 V113 E114	A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 3Å; A110-V113 PolarHBondContact O-N 2.88Å; A110-E114 VanDerWaalsContact O-CB 3.32Å; A110-E114 WeakPolarHBondContact O-CB 3.47Å; A110-E114 PolarHBondContact O-N 3.4Å
111	T	69.9	Low	67.3	Low	84 Å²	84	91 Å²	91	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-37.4	179.3	52.2	0	0	0	0	112.9	S107 T108 Y109 K115	S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 VanDerWaalsContact O-CG2 3.31Å; S107-T111 WeakPolarHBondContact O-CG2 3.38Å; S107-T111 PolarHBondContact O-N 3.01Å; S107-T111 VanDerWaalsContact O-N 3.08Å; S107-T111 PolarHBondContact O-OG1 3.5Å; T108-T111 PolarHBondContact O-OG1 3.06Å; T108-T111 VanDerWaalsContact O-OG1 3.06Å; Y109-T111 PolarHBondContact O-N 2.95Å; T111-K115 WeakPolarHBondContact O-CB 3.33Å; T111-K115 PolarHBondContact O-N 3.09Å
112	A	67.3	Low	67.6	Low	52 Å²	52	88.8 Å²	88.8	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-44.4	175.3	0	0	0	0	0	111.9	T108 Y109 K115 V116	T108-A112 WeakPolarHBondContact O-CB 3.43Å; T108-A112 PolarHBondContact O-N 3.49Å; T108-A112 VanDerWaalsContact O-N 3.11Å; Y109-A112 PolarHBondContact O-N 3.37Å; A112-K115 PolarHBondContact O-N 3.4Å; A112-V116 WeakPolarHBondContact O-CG2 3.36Å; A112-V116 PolarHBondContact O-N 3.32Å
113	V	64.4	Low	68.2	Low	60 Å²	60	91.2 Å²	91.2	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-47	176.2	171.1	0	0	0	0	110.4	Y109 A110 K115 V116 T117	Y109-V113 HydrophobicContact CD1-CG2 3.82Å; Y109-V113 HydrophobicContact CE1-CG2 3.49Å; Y109-V113 VanDerWaalsContact CE1-CG2 3.49Å; Y109-V113 HydrophobicContact CE2-CG2 4.33Å; Y109-V113 HydrophobicContact CG-CG2 4.37Å; Y109-V113 WeakPolarHBondContact O-CB 3.43Å; Y109-V113 VanDerWaalsContact O-CG2 3.26Å; Y109-V113 WeakPolarHBondContact O-CG2 3.34Å; Y109-V113 PolarHBondContact O-N 3.47Å; A110-V113 PolarHBondContact O-N 2.88Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.02Å; V113-V116 PolarHBondContact O-N 3.46Å; V113-T117 WeakPolarHBondContact O-CB 3.37Å; V113-T117 PolarHBondContact O-N 3.42Å; V113-T117 PolarHBondContact O-OG1 3.13Å
114	E	64.9	Low	68.1	Low	140 Å²	140	92.7 Å²	92.7	65%	0.654	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-39	179.4	-169.7	173.8	-169.7	0	0	112.2	A110 T117 S118	A110-E114 VanDerWaalsContact O-CB 3.32Å; A110-E114 WeakPolarHBondContact O-CB 3.47Å; A110-E114 PolarHBondContact O-N 3.4Å; E114-T117 PolarHBondContact O-N 3.45Å; E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.35Å; E114-S118 PolarHBondContact O-N 2.77Å; E114-S118 PolarHBondContact O-OG 2.94Å
115	K	72.6	Confident	67.8	Low	162 Å²	162	94.3 Å²	94.3	70%	0.704	52%	0.52	S	S	*	.	H	α-helix	trans	-67.8	-40.5	176.7	-168.2	174.5	-176.9	178.2	0	113	T111 A112 V113 S118 H119	T111-K115 WeakPolarHBondContact O-CB 3.33Å; T111-K115 PolarHBondContact O-N 3.09Å; A112-K115 PolarHBondContact O-N 3.4Å; V113-K115 VanDerWaalsContact C-N 3.3Å; V113-K115 PolarHBondContact O-N 3.02Å; K115-S118 WeakPolarHBondContact CA-OG 3.24Å; K115-S118 PolarHBondContact O-OG 3.36Å; K115-H119 WeakPolarHBondContact O-CB 3.22Å; K115-H119 PolarHBondContact O-N 2.91Å
116	V	72.8	Confident	68.3	Low	85 Å²	85	92.4 Å²	92.4	52%	0.515	51%	0.513	S	S	.	.	H	α-helix	trans	-69.9	-42.4	176.1	172.1	0	0	0	0	110.5	A112 V113 H119 I120	A112-V116 WeakPolarHBondContact O-CG2 3.36Å; A112-V116 PolarHBondContact O-N 3.32Å; V113-V116 PolarHBondContact O-N 3.46Å; V116-H119 PolarHBondContact O-N 2.94Å; V116-I120 HydrophobicContact CG1-CD1 3.67Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.5Å; V116-I120 PolarHBondContact O-N 3.06Å
117	T	59.3	Low	68.7	Low	70 Å²	70	91.7 Å²	91.7	43%	0.429	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-46.1	-179	-44	0	0	0	0	110.7	V113 E114 H119 I120 V121	V113-T117 WeakPolarHBondContact O-CB 3.37Å; V113-T117 PolarHBondContact O-N 3.42Å; V113-T117 PolarHBondContact O-OG1 3.13Å; E114-T117 PolarHBondContact O-N 3.45Å; T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.08Å; T117-I120 PolarHBondContact O-N 3.33Å; T117-V121 HydrophobicContact CG2-CG2 4.42Å; T117-V121 WeakPolarHBondContact O-CB 3.43Å; T117-V121 WeakPolarHBondContact O-CG2 3.49Å; T117-V121 PolarHBondContact O-N 3.49Å
118	S	68.8	Low	68.2	Low	70 Å²	70	94.2 Å²	94.2	49%	0.49	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-37.7	175.8	53.8	0	0	0	0	112.8	E114 K115 S122	E114-S118 VanDerWaalsContact O-CB 3.3Å; E114-S118 WeakPolarHBondContact O-CB 3.35Å; E114-S118 PolarHBondContact O-N 2.77Å; E114-S118 PolarHBondContact O-OG 2.94Å; K115-S118 WeakPolarHBondContact CA-OG 3.24Å; K115-S118 PolarHBondContact O-OG 3.36Å; S118-S122 WeakPolarHBondContact O-CB 3.3Å; S118-S122 PolarHBondContact O-N 3.5Å
119	H	77.4	Confident	68.3	Low	114 Å²	114	93.3 Å²	93.3	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-66.8	-44.5	175.9	-168	66.7	0	0	0	112.3	K115 V116 T117 S122 Q123	K115-H119 WeakPolarHBondContact O-CB 3.22Å; K115-H119 PolarHBondContact O-N 2.91Å; V116-H119 PolarHBondContact O-N 2.94Å; T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.08Å; H119-S122 PolarHBondContact O-N 2.91Å; H119-Q123 PolarHBondContact NE2-NE2 3.14Å; H119-Q123 WeakPolarHBondContact O-CG 3.34Å; H119-Q123 PolarHBondContact O-N 2.94Å
120	I	70.3	Confident	69	Low	95 Å²	95	92.3 Å²	92.3	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-45.4	177.9	-68.4	169.5	0	0	0	110.5	V116 T117 S122 Q123 V124	V116-I120 HydrophobicContact CG1-CD1 3.67Å; V116-I120 HydrophobicContact CG1-CG1 4.39Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.5Å; V116-I120 PolarHBondContact O-N 3.06Å; T117-I120 PolarHBondContact O-N 3.33Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3Å; I120-Q123 PolarHBondContact O-N 3.45Å; I120-V124 HydrophobicContact CG2-CG2 4.27Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 2.95Å
121	V	69.6	Low	68.9	Low	79 Å²	79	94.6 Å²	94.6	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-58	-47.5	177	169.3	0	0	0	0	110.2	T117 Q123 V124 E125	T117-V121 HydrophobicContact CG2-CG2 4.42Å; T117-V121 WeakPolarHBondContact O-CB 3.43Å; T117-V121 WeakPolarHBondContact O-CG2 3.49Å; T117-V121 PolarHBondContact O-N 3.49Å; V121-Q123 PolarHBondContact O-N 3.35Å; V121-V124 PolarHBondContact O-N 2.95Å; V121-E125 VanDerWaalsContact O-CB 3.27Å; V121-E125 WeakPolarHBondContact O-CB 3.47Å; V121-E125 PolarHBondContact O-N 2.91Å
122	S	75.6	Confident	68.2	Low	51 Å²	51	93.7 Å²	93.7	36%	0.357	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-39.8	177.8	-176.7	0	0	0	0	112.9	S118 H119 I120 Q126	S118-S122 WeakPolarHBondContact O-CB 3.3Å; S118-S122 PolarHBondContact O-N 3.5Å; H119-S122 PolarHBondContact O-N 2.91Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3Å; S122-Q126 WeakPolarHBondContact O-CB 3.08Å; S122-Q126 VanDerWaalsContact O-CG 3.3Å; S122-Q126 WeakPolarHBondContact O-CG 3.43Å; S122-Q126 PolarHBondContact O-N 3.26Å
123	Q	72.1	Confident	68	Low	113 Å²	113	96.6 Å²	96.6	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-41.5	176.8	-75.5	-159.2	4.2	0	0	112.7	H119 I120 V121 A127	H119-Q123 PolarHBondContact NE2-NE2 3.14Å; H119-Q123 WeakPolarHBondContact O-CG 3.34Å; H119-Q123 PolarHBondContact O-N 2.94Å; I120-Q123 PolarHBondContact O-N 3.45Å; V121-Q123 PolarHBondContact O-N 3.35Å; Q123-A127 WeakPolarHBondContact O-CB 3.22Å; Q123-A127 PolarHBondContact O-N 2.85Å
124	V	67.9	Low	67.7	Low	90 Å²	90	100.1 Å²	100.1	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-42.3	177.6	171.5	0	0	0	0	110.5	I120 V121 A127 L128	I120-V124 HydrophobicContact CG2-CG2 4.27Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 2.95Å; V121-V124 PolarHBondContact O-N 2.95Å; V124-A127 PolarHBondContact O-N 2.86Å; V124-L128 VanDerWaalsContact O-CB 3.3Å; V124-L128 WeakPolarHBondContact O-CB 3.42Å; V124-L128 PolarHBondContact O-N 2.85Å
125	E	66.9	Low	67	Low	123 Å²	123	96.5 Å²	96.5	58%	0.575	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-44	178.1	-165	165.2	-154.9	0	0	111.2	V121 A127 L128 V129	V121-E125 VanDerWaalsContact O-CB 3.27Å; V121-E125 WeakPolarHBondContact O-CB 3.47Å; V121-E125 PolarHBondContact O-N 2.91Å; E125-A127 PolarHBondContact O-N 3.5Å; E125-L128 PolarHBondContact O-N 3.32Å; E125-V129 VanDerWaalsContact O-CG2 3.28Å; E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 2.95Å
126	Q	75.1	Confident	66	Low	103 Å²	103	94.7 Å²	94.7	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-39.1	173.4	-76.2	-177.9	11.1	0	0	113.2	S122 R130	S122-Q126 WeakPolarHBondContact O-CB 3.08Å; S122-Q126 VanDerWaalsContact O-CG 3.3Å; S122-Q126 WeakPolarHBondContact O-CG 3.43Å; S122-Q126 PolarHBondContact O-N 3.26Å; Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-N 3.01Å; Q126-R130 VanDerWaalsContact O-N 3.1Å
127	A	69.3	Low	64.8	Low	46 Å²	46	97.2 Å²	97.2	38%	0.38	52%	0.516	S	S	.	.	H	α-helix	trans	-69.6	-38	177.5	0	0	0	0	0	111.8	Q123 V124 E125 N131	Q123-A127 WeakPolarHBondContact O-CB 3.22Å; Q123-A127 PolarHBondContact O-N 2.85Å; V124-A127 PolarHBondContact O-N 2.86Å; E125-A127 PolarHBondContact O-N 3.5Å; A127-N131 WeakPolarHBondContact O-CB 3.37Å; A127-N131 VanDerWaalsContact O-CG 3.29Å; A127-N131 PolarHBondContact O-N 3.43Å; A127-N131 PolarHBondContact O-ND2 2.82Å
128	L	59	Low	64.2	Low	121 Å²	121	96.2 Å²	96.2	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-44	176.2	-173.4	67.2	0	0	0	111.1	V124 E125 N131 S132	V124-L128 VanDerWaalsContact O-CB 3.3Å; V124-L128 WeakPolarHBondContact O-CB 3.42Å; V124-L128 PolarHBondContact O-N 2.85Å; E125-L128 PolarHBondContact O-N 3.32Å; L128-N131 PolarHBondContact O-N 3.2Å; L128-S132 WeakPolarHBondContact O-CB 3.49Å; L128-S132 PolarHBondContact O-N 3.13Å
129	V	70.9	Confident	63	Low	72 Å²	72	99 Å²	99	44%	0.436	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-49.5	176.1	171.4	0	0	0	0	110.8	E125 N131 S132 E133	E125-V129 VanDerWaalsContact O-CG2 3.28Å; E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 2.95Å; V129-N131 PolarHBondContact O-N 3.01Å; V129-S132 PolarHBondContact O-N 3.32Å; V129-E133 HydrophobicContact CG1-CG 4.38Å; V129-E133 WeakPolarHBondContact O-CG 3.48Å; V129-E133 PolarHBondContact O-N 3.43Å
130	R	71.6	Confident	61.6	Low	153 Å²	153	97.1 Å²	97.1	58%	0.577	52%	0.52	S	S	*	.	H	α-helix	trans	-61.1	-42.9	179	-72.6	-177.3	-144.1	178.6	6.9	113	Q126 S132 E133 Q134	Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-N 3.01Å; Q126-R130 VanDerWaalsContact O-N 3.1Å; R130-S132 VanDerWaalsContact C-N 3.35Å; R130-E133 PolarHBondContact O-N 3.47Å; R130-Q134 WeakPolarHBondContact O-CG 3.28Å; R130-Q134 PolarHBondContact O-N 3.5Å; R130-Q134 VanDerWaalsContact O-N 3.09Å
131	N	61.5	Low	60.3	Low	104 Å²	104	97.8 Å²	97.8	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-69.2	-36.2	178.4	-74.3	-19	0	0	0	111.5	A127 L128 V129 A135	A127-N131 WeakPolarHBondContact O-CB 3.37Å; A127-N131 VanDerWaalsContact O-CG 3.29Å; A127-N131 PolarHBondContact O-N 3.43Å; A127-N131 PolarHBondContact O-ND2 2.82Å; L128-N131 PolarHBondContact O-N 3.2Å; V129-N131 PolarHBondContact O-N 3.01Å; N131-A135 VanDerWaalsContact O-CB 3.24Å; N131-A135 WeakPolarHBondContact O-CB 3.44Å; N131-A135 PolarHBondContact O-N 2.99Å
132	S	54.7	Low	59	Low	64 Å²	64	99.3 Å²	99.3	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-45	175	-171.1	0	0	0	0	111.2	L128 V129 R130 A135 Q136	L128-S132 WeakPolarHBondContact O-CB 3.49Å; L128-S132 PolarHBondContact O-N 3.13Å; V129-S132 PolarHBondContact O-N 3.32Å; R130-S132 VanDerWaalsContact C-N 3.35Å; S132-A135 PolarHBondContact O-N 3.01Å; S132-Q136 WeakPolarHBondContact O-CB 3.35Å; S132-Q136 PolarHBondContact O-N 3Å
133	E	63.3	Low	57.6	Low	114 Å²	114	101.1 Å²	101.1	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-45.9	178.5	-73.7	173.6	168	0	0	111.7	V129 R130 A135 Q136 E137	V129-E133 HydrophobicContact CG1-CG 4.38Å; V129-E133 WeakPolarHBondContact O-CG 3.48Å; V129-E133 PolarHBondContact O-N 3.43Å; R130-E133 PolarHBondContact O-N 3.47Å; E133-A135 PolarHBondContact O-N 3.4Å; E133-Q136 PolarHBondContact O-N 2.82Å; E133-E137 WeakPolarHBondContact O-CB 3.37Å; E133-E137 PolarHBondContact O-N 3.24Å
134	Q	57.8	Low	56.6	Low	134 Å²	134	97.4 Å²	97.4	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-38	177.5	-73.8	-176.6	-18.7	0	0	113	R130 G138	R130-Q134 WeakPolarHBondContact O-CG 3.28Å; R130-Q134 PolarHBondContact O-N 3.5Å; R130-Q134 VanDerWaalsContact O-N 3.09Å; Q134-G138 PolarHBondContact O-N 3.29Å
135	A	50.7	Low	55.8	Low	64 Å²	64	98.4 Å²	98.4	53%	0.529	51%	0.513	S	S	.	.	H	α-helix	trans	-70.4	-37.2	175.7	0	0	0	0	0	111.8	N131 S132 E133 K139	N131-A135 VanDerWaalsContact O-CB 3.24Å; N131-A135 WeakPolarHBondContact O-CB 3.44Å; N131-A135 PolarHBondContact O-N 2.99Å; S132-A135 PolarHBondContact O-N 3.01Å; E133-A135 PolarHBondContact O-N 3.4Å; A135-K139 VanDerWaalsContact O-CB 3.22Å; A135-K139 WeakPolarHBondContact O-CB 3.3Å; A135-K139 PolarHBondContact O-N 3.29Å
136	Q	52.2	Low	54.8	Low	123 Å²	123	97.9 Å²	97.9	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-68.5	-43	177	-157.1	92.7	-4.7	0	0	111.3	S132 E133 K139 T140	S132-Q136 WeakPolarHBondContact O-CB 3.35Å; S132-Q136 PolarHBondContact O-N 3Å; E133-Q136 PolarHBondContact O-N 2.82Å; Q136-K139 PolarHBondContact O-N 2.96Å; Q136-T140 HydrophobicContact CG-CG2 4.47Å; Q136-T140 WeakPolarHBondContact O-CB 3.33Å; Q136-T140 WeakPolarHBondContact O-CG2 3.34Å; Q136-T140 PolarHBondContact O-N 3.1Å; Q136-T140 PolarHBondContact O-OG1 3.21Å
137	E	48	Very low	53.7	Low	139 Å²	139	94.8 Å²	94.8	65%	0.65	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-44.6	174.7	-87.4	-175.1	150	0	0	112	E133 K139 T140 L141	E133-E137 WeakPolarHBondContact O-CB 3.37Å; E133-E137 PolarHBondContact O-N 3.24Å; E137-K139 VanDerWaalsContact C-N 3.33Å; E137-K139 PolarHBondContact O-N 3.44Å; E137-T140 WeakPolarHBondContact CA-OG1 3.45Å; E137-T140 PolarHBondContact O-OG1 2.93Å; E137-T140 VanDerWaalsContact O-OG1 3.13Å; E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.3Å; E137-L141 PolarHBondContact O-N 3.32Å
138	G	44.8	Very low	52.9	Low	48 Å²	48	96.7 Å²	96.7	50%	0.495	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-36	178.3	0	0	0	0	0	113.2	Q134 H142	Q134-G138 PolarHBondContact O-N 3.29Å; G138-H142 WeakPolarHBondContact O-CB 3.45Å; G138-H142 PolarHBondContact O-N 2.84Å
139	K	44.2	Very low	52.6	Low	128 Å²	128	97.1 Å²	97.1	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-76.5	-43.9	179.5	-164.5	178.2	176.7	-166.6	0	112.3	A135 Q136 E137 L141 H142 E143	A135-K139 VanDerWaalsContact O-CB 3.22Å; A135-K139 WeakPolarHBondContact O-CB 3.3Å; A135-K139 PolarHBondContact O-N 3.29Å; Q136-K139 PolarHBondContact O-N 2.96Å; E137-K139 VanDerWaalsContact C-N 3.33Å; E137-K139 PolarHBondContact O-N 3.44Å; K139-L141 VanDerWaalsContact C-N 3.35Å; K139-L141 PolarHBondContact O-N 2.86Å; K139-H142 PolarHBondContact O-N 3.1Å; K139-E143 WeakPolarHBondContact CE-OE1 3.08Å; K139-E143 IonicContact NZ-OE1 3.27Å; K139-E143 WeakPolarHBondContact O-CB 3.21Å; K139-E143 PolarHBondContact O-N 2.81Å
140	T	47.8	Very low	51.6	Low	76 Å²	76	97.6 Å²	97.6	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-36.4	177.7	52.6	0	0	0	0	112.5	Q136 E137 S144	Q136-T140 HydrophobicContact CG-CG2 4.47Å; Q136-T140 WeakPolarHBondContact O-CB 3.33Å; Q136-T140 WeakPolarHBondContact O-CG2 3.34Å; Q136-T140 PolarHBondContact O-N 3.1Å; Q136-T140 PolarHBondContact O-OG1 3.21Å; E137-T140 WeakPolarHBondContact CA-OG1 3.45Å; E137-T140 PolarHBondContact O-OG1 2.93Å; E137-T140 VanDerWaalsContact O-OG1 3.13Å; T140-S144 WeakPolarHBondContact O-CB 3.45Å; T140-S144 PolarHBondContact O-N 2.86Å
141	L	44	Very low	50.7	Low	109 Å²	109	94.2 Å²	94.2	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-68.7	-40.6	177.3	-155.3	123.1	0	0	0	111.5	E137 K139 E145	E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.3Å; E137-L141 PolarHBondContact O-N 3.32Å; K139-L141 VanDerWaalsContact C-N 3.35Å; K139-L141 PolarHBondContact O-N 2.86Å; L141-E145 WeakPolarHBondContact O-CB 3.2Å; L141-E145 WeakPolarHBondContact O-CG 3.36Å; L141-E145 PolarHBondContact O-N 2.85Å
142	H	42.4	Very low	50.4	Low	110 Å²	110	94.8 Å²	94.8	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-73.8	-38.5	179.8	-158.5	55.4	0	0	0	113.2	G138 K139 Q146	G138-H142 WeakPolarHBondContact O-CB 3.45Å; G138-H142 PolarHBondContact O-N 2.84Å; K139-H142 PolarHBondContact O-N 3.1Å; H142-Q146 PolarHBondContact NE2-NE2 2.74Å; H142-Q146 VanDerWaalsContact NE2-NE2 3.19Å; H142-Q146 WeakPolarHBondContact O-CG 3.49Å; H142-Q146 PolarHBondContact O-N 3.05Å; H142-Q146 VanDerWaalsContact O-N 3.08Å
143	E	45.8	Very low	50.7	Low	89 Å²	89	95.8 Å²	95.8	42%	0.416	50%	0.499	S	S	.	.	H	α-helix	trans	-70.9	-36.5	174.8	-74.3	170	167.9	0	0	111.6	K139 Q146 G147	K139-E143 WeakPolarHBondContact CE-OE1 3.08Å; K139-E143 IonicContact NZ-OE1 3.27Å; K139-E143 WeakPolarHBondContact O-CB 3.21Å; K139-E143 PolarHBondContact O-N 2.81Å; E143-Q146 PolarHBondContact O-N 2.83Å; E143-G147 PolarHBondContact O-N 3.05Å
144	S	51.6	Low	50.5	Low	35 Å²	35	92.6 Å²	92.6	25%	0.245	49%	0.486	C	S	.	.	H	α-helix	trans	-66.5	-41.2	173.8	-173.2	0	0	0	0	112.3	T140 G147 K148	T140-S144 WeakPolarHBondContact O-CB 3.45Å; T140-S144 PolarHBondContact O-N 2.86Å; S144-G147 PolarHBondContact O-N 3.1Å; S144-K148 WeakPolarHBondContact O-CB 3.17Å; S144-K148 VanDerWaalsContact O-CG 3.22Å; S144-K148 WeakPolarHBondContact O-CG 3.33Å; S144-K148 PolarHBondContact O-N 3.29Å; S144-K148 WeakPolarHBondContact OG-CE 3.29Å; S144-K148 PolarHBondContact OG-NZ 2.84Å
145	E	49.5	Very low	50.5	Low	112 Å²	112	91.5 Å²	91.5	52%	0.523	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-39.9	176.1	-79.1	-176.6	164.8	0	0	112.4	L141 M149	L141-E145 WeakPolarHBondContact O-CB 3.2Å; L141-E145 WeakPolarHBondContact O-CG 3.36Å; L141-E145 PolarHBondContact O-N 2.85Å; E145-M149 VanDerWaalsContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CB 3.48Å; E145-M149 PolarHBondContact O-N 2.85Å
146	Q	47.5	Very low	51	Low	112 Å²	112	93.7 Å²	93.7	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-68	-41.1	175.1	-73.8	-175.5	7.9	0	0	112.3	H142 E143 M149 L150	H142-Q146 PolarHBondContact NE2-NE2 2.74Å; H142-Q146 VanDerWaalsContact NE2-NE2 3.19Å; H142-Q146 WeakPolarHBondContact O-CG 3.49Å; H142-Q146 PolarHBondContact O-N 3.05Å; H142-Q146 VanDerWaalsContact O-N 3.08Å; E143-Q146 PolarHBondContact O-N 2.83Å; Q146-M149 PolarHBondContact O-N 2.92Å; Q146-L150 WeakPolarHBondContact O-CB 3.47Å; Q146-L150 PolarHBondContact O-N 3.47Å
147	G	51	Low	51.3	Low	38 Å²	38	88.5 Å²	88.5	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-60.8	-48	174.8	0	0	0	0	0	112.3	E143 S144 M149 L150 E151	E143-G147 PolarHBondContact O-N 3.05Å; S144-G147 PolarHBondContact O-N 3.1Å; G147-M149 PolarHBondContact O-N 3.3Å; G147-L150 PolarHBondContact O-N 3.25Å; G147-E151 WeakPolarHBondContact O-CB 3.34Å; G147-E151 PolarHBondContact O-N 3.5Å
148	K	51.8	Low	51.7	Low	85 Å²	85	86.4 Å²	86.4	37%	0.37	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-40.3	175.7	-74.2	171.3	179.9	169.6	0	112.6	S144 E151 H152	S144-K148 WeakPolarHBondContact O-CB 3.17Å; S144-K148 VanDerWaalsContact O-CG 3.22Å; S144-K148 WeakPolarHBondContact O-CG 3.33Å; S144-K148 PolarHBondContact O-N 3.29Å; S144-K148 WeakPolarHBondContact OG-CE 3.29Å; S144-K148 PolarHBondContact OG-NZ 2.84Å; K148-E151 PolarHBondContact O-N 3.03Å; K148-H152 VanDerWaalsContact O-CB 3.3Å; K148-H152 WeakPolarHBondContact O-CB 3.26Å; K148-H152 PolarHBondContact O-CD2 3.32Å; K148-H152 PolarHBondContact O-N 3.26Å
149	M	54.3	Low	52	Low	130 Å²	130	88.4 Å²	88.4	64%	0.64	45%	0.452	S	S	*	.	H	α-helix	trans	-63.7	-43.3	176.4	-170.7	-177.2	-62.8	0	0	111	E145 Q146 G147 H152 V153	E145-M149 VanDerWaalsContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CB 3.48Å; E145-M149 PolarHBondContact O-N 2.85Å; Q146-M149 PolarHBondContact O-N 2.92Å; G147-M149 PolarHBondContact O-N 3.3Å; M149-H152 PolarHBondContact O-N 3.47Å; M149-V153 WeakPolarHBondContact O-CB 3.33Å; M149-V153 WeakPolarHBondContact O-CG2 3.39Å; M149-V153 PolarHBondContact O-N 3.17Å
150	L	49.6	Very low	52.8	Low	83 Å²	83	85.6 Å²	85.6	44%	0.435	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-40.2	178.9	-173.4	60.1	0	0	0	112	Q146 G147 V153 L154 L225	Q146-L150 WeakPolarHBondContact O-CB 3.47Å; Q146-L150 PolarHBondContact O-N 3.47Å; G147-L150 PolarHBondContact O-N 3.25Å; L150-V153 PolarHBondContact O-N 3.41Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 3.03Å; L150-L225 HydrophobicContact CD2-CD1 4.18Å; L150-L225 HydrophobicContact CD2-CD2 3.76Å; L150-L225 HydrophobicContact CD2-CG 4.4Å; L150-L225 HydrophobicContact CG-CD1 4.34Å; L150-L225 HydrophobicContact CG-CD2 4.5Å
151	E	51.7	Low	53.3	Low	82 Å²	82	82.2 Å²	82.2	38%	0.383	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-43.9	175.4	-175.5	160.5	-159.9	0	0	112.2	G147 K148 V153 L154 L155	G147-E151 WeakPolarHBondContact O-CB 3.34Å; G147-E151 PolarHBondContact O-N 3.5Å; K148-E151 PolarHBondContact O-N 3.03Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.49Å; E151-L154 WeakPolarHBondContact O-CB 3.31Å; E151-L154 PolarHBondContact O-N 2.86Å; E151-L154 VanDerWaalsContact O-N 3.14Å; E151-L155 HydrophobicContact CG-CD1 4.22Å; E151-L155 PolarHBondContact O-N 3.42Å
152	H	55.3	Low	53.9	Low	115 Å²	115	80.6 Å²	80.6	53%	0.532	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-43.7	172.4	-87.4	-127.5	0	0	0	111.9	K148 M149 L154 L155 L156	K148-H152 VanDerWaalsContact O-CB 3.3Å; K148-H152 WeakPolarHBondContact O-CB 3.26Å; K148-H152 PolarHBondContact O-CD2 3.32Å; K148-H152 PolarHBondContact O-N 3.26Å; M149-H152 PolarHBondContact O-N 3.47Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.37Å; H152-L155 PolarHBondContact O-N 3.41Å; H152-L156 VanDerWaalsContact O-CB 3.3Å; H152-L156 WeakPolarHBondContact O-CB 3.46Å; H152-L156 WeakPolarHBondContact O-CD1 3.34Å; H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.02Å
153	V	62.4	Low	54.6	Low	85 Å²	85	83.2 Å²	83.2	52%	0.515	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-37.1	175.9	167.7	0	0	0	0	110.9	M149 L150 E151 S157	M149-V153 WeakPolarHBondContact O-CB 3.33Å; M149-V153 WeakPolarHBondContact O-CG2 3.39Å; M149-V153 PolarHBondContact O-N 3.17Å; L150-V153 PolarHBondContact O-N 3.41Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.49Å; V153-S157 WeakPolarHBondContact O-CB 3.3Å; V153-S157 PolarHBondContact O-N 2.95Å
154	L	57.9	Low	55.2	Low	47 Å²	47	80.4 Å²	80.4	25%	0.246	41%	0.41	C	S	.	.	H	α-helix	trans	-68.8	-44.1	175.6	-110.2	144.2	0	0	0	113.5	L150 E151 H152 S157 H158 Q218 A221 L225	L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 3.03Å; E151-L154 WeakPolarHBondContact O-CB 3.31Å; E151-L154 PolarHBondContact O-N 2.86Å; E151-L154 VanDerWaalsContact O-N 3.14Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.37Å; L154-S157 WeakPolarHBondContact O-CB 3.4Å; L154-S157 PolarHBondContact O-N 3.31Å; L154-H158 WeakPolarHBondContact O-CB 3.27Å; L154-H158 PolarHBondContact O-N 2.98Å; L154-Q218 HydrophobicContact CD2-CG 4.44Å; L154-A221 HydrophobicContact CD1-CB 3.55Å; L154-A221 HydrophobicContact CD2-CB 3.7Å; L154-A221 HydrophobicContact CG-CB 4.01Å; L154-L225 HydrophobicContact CD1-CD1 3.17Å
155	L	59	Low	55.5	Low	112 Å²	112	80.7 Å²	80.7	59%	0.586	41%	0.412	S	S	*	.	H	α-helix	trans	-62.7	-44.7	174.9	-92.8	152.9	0	0	0	111.5	E151 H152 H158 N159	E151-L155 HydrophobicContact CG-CD1 4.22Å; E151-L155 PolarHBondContact O-N 3.42Å; H152-L155 PolarHBondContact O-N 3.41Å; L155-H158 PolarHBondContact O-N 3.43Å; L155-N159 WeakPolarHBondContact O-CB 3.21Å; L155-N159 PolarHBondContact O-N 2.96Å
156	L	59.6	Low	55.9	Low	109 Å²	109	81.3 Å²	81.3	57%	0.571	42%	0.415	S	S	*	.	H	α-helix	trans	-60.9	-46.4	173.5	-83.3	157.2	0	0	0	111.1	H152 H158 N159 V160	H152-L156 VanDerWaalsContact O-CB 3.3Å; H152-L156 WeakPolarHBondContact O-CB 3.46Å; H152-L156 WeakPolarHBondContact O-CD1 3.34Å; H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.02Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.22Å; L156-N159 PolarHBondContact O-N 3.14Å; L156-V160 WeakPolarHBondContact O-CB 3.39Å; L156-V160 VanDerWaalsContact O-CG2 3.24Å; L156-V160 WeakPolarHBondContact O-CG2 3.38Å; L156-V160 PolarHBondContact O-N 2.91Å
157	S	60.1	Low	56.4	Low	14 Å²	14	81 Å²	81	10%	0.098	42%	0.417	C	S	.	.	H	α-helix	trans	-55.6	-45.7	173.3	161.6	0	0	0	0	111.6	V153 L154 V160 S161 L214 Q218	V153-S157 WeakPolarHBondContact O-CB 3.3Å; V153-S157 PolarHBondContact O-N 2.95Å; L154-S157 WeakPolarHBondContact O-CB 3.4Å; L154-S157 PolarHBondContact O-N 3.31Å; S157-V160 PolarHBondContact O-N 3.28Å; S157-S161 WeakPolarHBondContact O-CB 3.33Å; S157-S161 PolarHBondContact O-N 2.96Å; S157-L214 VanDerWaalsContact O-CD2 3.31Å; S157-L214 WeakPolarHBondContact O-CD2 3.32Å; S157-L214 WeakPolarHBondContact OG-CD1 3.42Å; S157-L214 VanDerWaalsContact OG-CG 3.28Å; S157-L214 WeakPolarHBondContact OG-CG 3.43Å; S157-Q218 VanDerWaalsContact C-NE2 3.31Å; S157-Q218 PolarHBondContact O-NE2 2.97Å; S157-Q218 PolarHBondContact OG-NE2 3.44Å
158	H	55.8	Low	56.8	Low	95 Å²	95	80.4 Å²	80.4	44%	0.44	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-44.5	178.4	-164.4	71.2	0	0	0	112.2	L154 L155 L156 S161 N162 Q218	L154-H158 WeakPolarHBondContact O-CB 3.27Å; L154-H158 PolarHBondContact O-N 2.98Å; L155-H158 PolarHBondContact O-N 3.43Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.22Å; H158-S161 PolarHBondContact O-N 3.16Å; H158-N162 PolarHBondContact CD2-ND2 2.86Å; H158-N162 VanDerWaalsContact CD2-ND2 3.32Å; H158-N162 PolarHBondContact NE2-ND2 3.16Å; H158-N162 VanDerWaalsContact NE2-ND2 3.13Å; H158-N162 PolarHBondContact O-N 3.1Å; H158-N162 PolarHBondContact O-ND2 3.08Å; H158-Q218 VanDerWaalsContact CA-NE2 3.28Å
159	N	50.5	Low	57.3	Low	90 Å²	90	79.5 Å²	79.5	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-47.8	177.6	-166.6	-60.7	0	0	0	111.9	L155 L156 S161 N162 R163	L155-N159 WeakPolarHBondContact O-CB 3.21Å; L155-N159 PolarHBondContact O-N 2.96Å; L156-N159 PolarHBondContact O-N 3.14Å; N159-S161 VanDerWaalsContact C-N 3.35Å; N159-S161 PolarHBondContact O-N 3.29Å; N159-N162 PolarHBondContact O-N 3.12Å; N159-R163 PolarHBondContact O-N 3.28Å
160	V	60.9	Low	57.7	Low	69 Å²	69	77.3 Å²	77.3	42%	0.418	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-44	177.3	170.8	0	0	0	0	110.5	L156 S157 N162 R163 L164 L214	L156-V160 WeakPolarHBondContact O-CB 3.39Å; L156-V160 VanDerWaalsContact O-CG2 3.24Å; L156-V160 WeakPolarHBondContact O-CG2 3.38Å; L156-V160 PolarHBondContact O-N 2.91Å; S157-V160 PolarHBondContact O-N 3.28Å; V160-N162 VanDerWaalsContact C-N 3.31Å; V160-N162 PolarHBondContact O-N 3.2Å; V160-R163 PolarHBondContact O-N 3.16Å; V160-L164 HydrophobicContact CG1-CD1 3.83Å; V160-L164 WeakPolarHBondContact O-CB 3.28Å; V160-L164 WeakPolarHBondContact O-CD1 3.33Å; V160-L164 PolarHBondContact O-N 3.11Å; V160-L214 HydrophobicContact CG1-CD2 4.35Å
161	S	59.8	Low	58.3	Low	5 Å²	5	78.4 Å²	78.4	4%	0.035	40%	0.4	C	S	.	.	H	α-helix	trans	-60.2	-39	175.9	-172.2	0	0	0	0	112.8	S157 H158 N159 S165	S157-S161 WeakPolarHBondContact O-CB 3.33Å; S157-S161 PolarHBondContact O-N 2.96Å; H158-S161 PolarHBondContact O-N 3.16Å; N159-S161 VanDerWaalsContact C-N 3.35Å; N159-S161 PolarHBondContact O-N 3.29Å; S161-S165 PolarHBondContact O-N 3.28Å; S161-S165 VanDerWaalsContact O-N 3.09Å
162	N	55.5	Low	58.7	Low	75 Å²	75	79.6 Å²	79.6	40%	0.401	41%	0.406	S	S	.	.	H	α-helix	trans	-72.1	-43.3	-179.8	-74.3	-20.4	0	0	0	111.5	H158 N159 V160 S165 Q166	H158-N162 PolarHBondContact CD2-ND2 2.86Å; H158-N162 VanDerWaalsContact CD2-ND2 3.32Å; H158-N162 PolarHBondContact NE2-ND2 3.16Å; H158-N162 VanDerWaalsContact NE2-ND2 3.13Å; H158-N162 PolarHBondContact O-N 3.1Å; H158-N162 PolarHBondContact O-ND2 3.08Å; N159-N162 PolarHBondContact O-N 3.12Å; V160-N162 VanDerWaalsContact C-N 3.31Å; V160-N162 PolarHBondContact O-N 3.2Å; N162-S165 WeakPolarHBondContact O-CB 3.09Å; N162-S165 PolarHBondContact O-N 2.75Å; N162-Q166 PolarHBondContact O-N 3.26Å
163	R	56.9	Low	58.8	Low	166 Å²	166	77.3 Å²	77.3	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-62.5	-41.1	174.4	-76.9	-174.8	167.4	-110.1	-1.3	112	N159 V160 S165 Q166 L167	N159-R163 PolarHBondContact O-N 3.28Å; V160-R163 PolarHBondContact O-N 3.16Å; R163-S165 VanDerWaalsContact C-N 3.31Å; R163-S165 PolarHBondContact O-N 2.95Å; R163-Q166 PolarHBondContact O-N 3.21Å; R163-L167 WeakPolarHBondContact O-CG 3.43Å; R163-L167 PolarHBondContact O-N 2.99Å
164	L	59.3	Low	58.6	Low	30 Å²	30	80.8 Å²	80.8	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-58.5	-44.1	172.5	-107.4	86.3	0	0	0	111.5	V160 Q166 L167 E168 L207 R211	V160-L164 HydrophobicContact CG1-CD1 3.83Å; V160-L164 WeakPolarHBondContact O-CB 3.28Å; V160-L164 WeakPolarHBondContact O-CD1 3.33Å; V160-L164 PolarHBondContact O-N 3.11Å; L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 2.91Å; L164-L167 PolarHBondContact O-N 3.22Å; L164-E168 WeakPolarHBondContact O-CB 3.3Å; L164-E168 PolarHBondContact O-N 3.02Å; L164-L207 HydrophobicContact CD1-CD2 4.47Å; L164-L207 HydrophobicContact CD2-CB 4.36Å; L164-L207 HydrophobicContact CD2-CD2 3.49Å; L164-L207 VanDerWaalsContact CD2-CD2 3.49Å; L164-L207 HydrophobicContact CD2-CG 3.81Å; L164-L207 WeakPolarHBondContact CD2-O 3.45Å; L164-L207 HydrophobicContact CG-CD2 3.51Å; L164-L207 HydrophobicContact CG-CG 4.25Å; L164-R211 HydrophobicContact CD2-CB 4.14Å
165	S	57.6	Low	58.3	Low	40 Å²	40	81.8 Å²	81.8	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-37.6	178	-166.8	0	0	0	0	112.9	S161 N162 R163 S169 R211	S161-S165 PolarHBondContact O-N 3.28Å; S161-S165 VanDerWaalsContact O-N 3.09Å; N162-S165 WeakPolarHBondContact O-CB 3.09Å; N162-S165 PolarHBondContact O-N 2.75Å; R163-S165 VanDerWaalsContact C-N 3.31Å; R163-S165 PolarHBondContact O-N 2.95Å; S165-S169 PolarHBondContact O-N 3.42Å; S165-S169 PolarHBondContact O-OG 3.24Å; S165-R211 PolarHBondContact OG-NH1 2.93Å; S165-R211 PolarHBondContact OG-NH2 2.88Å
166	Q	58	Low	58	Low	126 Å²	126	82.6 Å²	82.6	59%	0.589	42%	0.418	S	S	*	.	H	α-helix	trans	-68.2	-46.5	177.2	-72.6	176.7	-12.8	0	0	110.8	N162 R163 L164 E168 S169 V170	N162-Q166 PolarHBondContact O-N 3.26Å; R163-Q166 PolarHBondContact O-N 3.21Å; L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 2.91Å; Q166-E168 VanDerWaalsContact C-N 3.28Å; Q166-E168 PolarHBondContact O-N 3.38Å; Q166-S169 PolarHBondContact O-N 3.45Å; Q166-S169 PolarHBondContact O-OG 2.73Å; Q166-V170 WeakPolarHBondContact O-CG2 3.05Å; Q166-V170 PolarHBondContact O-N 3.45Å
167	L	57.3	Low	57.6	Low	106 Å²	106	79.8 Å²	79.8	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-60	-40.5	176.2	-73.1	169.4	0	0	0	111.9	R163 L164 V170 W171	R163-L167 WeakPolarHBondContact O-CG 3.43Å; R163-L167 PolarHBondContact O-N 2.99Å; L164-L167 PolarHBondContact O-N 3.22Å; L167-V170 PolarHBondContact O-N 3.47Å; L167-W171 WeakPolarHBondContact O-CB 3.5Å; L167-W171 PolarHBondContact O-N 3.35Å
168	E	60	Low	57.1	Low	25 Å²	25	84.1 Å²	84.1	12%	0.117	43%	0.429	C	S	.	.	H	α-helix	trans	-62.8	-45.4	175.6	169.6	159.1	-137.4	0	0	111.4	L164 Q166 V170 W171 Q172 W204 Q208 R211	L164-E168 WeakPolarHBondContact O-CB 3.3Å; L164-E168 PolarHBondContact O-N 3.02Å; Q166-E168 VanDerWaalsContact C-N 3.28Å; Q166-E168 PolarHBondContact O-N 3.38Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.31Å; E168-W171 PolarHBondContact O-N 3.45Å; E168-Q172 WeakPolarHBondContact O-CB 3.21Å; E168-Q172 PolarHBondContact O-N 3.37Å; E168-W204 VanDerWaalsContact CA-CH2 3.47Å; E168-W204 HydrophobicContact CB-CH2 3.63Å; E168-W204 HydrophobicContact CB-CZ2 4.4Å; E168-W204 HydrophobicContact CB-CZ3 4.07Å; E168-W204 HydrophobicContact CG-CH2 3.38Å; E168-W204 HydrophobicContact CG-CZ2 3.69Å; E168-W204 HydrophobicContact CG-CZ3 4.26Å; E168-W204 WeakPolarHBondContact OE1-CZ2 3.45Å; E168-Q208 WeakPolarHBondContact OE1-CG 3.32Å; E168-Q208 PolarHBondContact OE1-NE2 3.48Å; E168-R211 IonicContact OE2-CZ 2.85Å; E168-R211 IonicContact OE2-NH1 2.67Å; E168-R211 PolarHBondContact OE2-NH1 3.29Å
169	S	62.8	Low	56.8	Low	66 Å²	66	84.3 Å²	84.3	46%	0.462	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-36.3	175.5	68.5	0	0	0	0	113.3	S165 Q166 S173	S165-S169 PolarHBondContact O-N 3.42Å; S165-S169 PolarHBondContact O-OG 3.24Å; Q166-S169 PolarHBondContact O-N 3.45Å; Q166-S169 PolarHBondContact O-OG 2.73Å; S169-S173 WeakPolarHBondContact O-CB 2.94Å; S169-S173 PolarHBondContact O-N 3.5Å; S169-S173 PolarHBondContact O-OG 3.41Å
170	V	62.4	Low	56.7	Low	84 Å²	84	87.3 Å²	87.3	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-69.1	-43.7	176.7	172	0	0	0	0	110.5	Q166 L167 E168 S173 R174	Q166-V170 WeakPolarHBondContact O-CG2 3.05Å; Q166-V170 PolarHBondContact O-N 3.45Å; L167-V170 PolarHBondContact O-N 3.47Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.31Å; V170-S173 PolarHBondContact O-N 3.22Å; V170-S173 PolarHBondContact O-OG 2.77Å; V170-R174 WeakPolarHBondContact O-CB 3.49Å; V170-R174 PolarHBondContact O-N 2.9Å
171	W	60.5	Low	55.9	Low	106 Å²	106	91 Å²	91	40%	0.402	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-40.6	175.2	-99.2	35.5	0	0	0	112.8	L167 E168 R174 S175 L200 W204	L167-W171 WeakPolarHBondContact O-CB 3.5Å; L167-W171 PolarHBondContact O-N 3.35Å; E168-W171 PolarHBondContact O-N 3.45Å; W171-R174 PolarHBondContact O-N 3.04Å; W171-S175 WeakPolarHBondContact O-CB 3.16Å; W171-S175 PolarHBondContact O-N 2.87Å; W171-L200 HydrophobicContact CH2-CB 4.33Å; W171-L200 HydrophobicContact CH2-CD2 3.49Å; W171-L200 VanDerWaalsContact CH2-CD2 3.49Å; W171-L200 HydrophobicContact CZ2-CD2 3.8Å; W171-W204 HydrophobicContact CB-CH2 3.86Å; W171-W204 HydrophobicContact CB-CZ3 3.7Å; W171-W204 HydrophobicContact CD2-CE3 4.07Å; W171-W204 AromaticContact CD2-CZ3 3.84Å; W171-W204 HydrophobicContact CD2-CZ3 3.84Å; W171-W204 AromaticContact CE3-CD2 3.96Å; W171-W204 HydrophobicContact CE3-CD2 3.96Å; W171-W204 AromaticContact CE3-CE3 3.18Å; W171-W204 HydrophobicContact CE3-CE3 3.18Å; W171-W204 HydrophobicContact CE3-CH2 4.24Å; W171-W204 AromaticContact CE3-CZ3 3.35Å; W171-W204 HydrophobicContact CE3-CZ3 3.35Å; W171-W204 HydrophobicContact CG-CZ3 4.04Å; W171-W204 HydrophobicContact CZ3-CB 4.08Å; W171-W204 HydrophobicContact CZ3-CD2 4.14Å; W171-W204 AromaticContact CZ3-CE3 3.53Å; W171-W204 HydrophobicContact CZ3-CE3 3.53Å; W171-W204 HydrophobicContact CZ3-CG 4.41Å; W171-W204 HydrophobicContact CZ3-CZ3 4.16Å
172	Q	60.5	Low	55.2	Low	107 Å²	107	95.9 Å²	95.9	50%	0.5	49%	0.49	S	S	.	.	H	α-helix	trans	-65.3	-43.4	177.6	-144.1	158.8	3	0	0	111	E168 R174 S175 E176	E168-Q172 WeakPolarHBondContact O-CB 3.21Å; E168-Q172 PolarHBondContact O-N 3.37Å; Q172-R174 VanDerWaalsContact C-N 3.29Å; Q172-R174 PolarHBondContact O-N 3.11Å; Q172-S175 PolarHBondContact O-N 2.89Å; Q172-E176 WeakPolarHBondContact O-CG 3.43Å; Q172-E176 PolarHBondContact O-N 2.59Å
173	S	58.7	Low	54.5	Low	66 Å²	66	96.3 Å²	96.3	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-32.1	174	72.8	0	0	0	0	113.5	S169 V170 A177	S169-S173 WeakPolarHBondContact O-CB 2.94Å; S169-S173 PolarHBondContact O-N 3.5Å; S169-S173 PolarHBondContact O-OG 3.41Å; V170-S173 PolarHBondContact O-N 3.22Å; V170-S173 PolarHBondContact O-OG 2.77Å; S173-A177 WeakPolarHBondContact O-CB 3.34Å; S173-A177 PolarHBondContact O-N 3.06Å
174	R	57.5	Low	54	Low	159 Å²	159	97.3 Å²	97.3	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-77.3	-38	178.1	-163.4	178.2	-170	174.5	4.4	112	V170 W171 Q172 E176 A177 E178	V170-R174 WeakPolarHBondContact O-CB 3.49Å; V170-R174 PolarHBondContact O-N 2.9Å; W171-R174 PolarHBondContact O-N 3.04Å; Q172-R174 VanDerWaalsContact C-N 3.29Å; Q172-R174 PolarHBondContact O-N 3.11Å; R174-E176 VanDerWaalsContact C-N 3.34Å; R174-A177 PolarHBondContact O-N 3.05Å; R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 WeakPolarHBondContact O-CG 3.43Å; R174-E178 PolarHBondContact O-N 3.08Å
175	S	51.8	Low	53.1	Low	67 Å²	67	104.3 Å²	104.3	47%	0.469	55%	0.545	S	S	.	.	H	α-helix	trans	-61.8	-42	170.6	166.7	0	0	0	0	111.4	W171 Q172 E178 V179	W171-S175 WeakPolarHBondContact O-CB 3.16Å; W171-S175 PolarHBondContact O-N 2.87Å; Q172-S175 PolarHBondContact O-N 2.89Å; S175-E178 PolarHBondContact O-N 2.77Å; S175-V179 VanDerWaalsContact O-CG2 3.25Å; S175-V179 WeakPolarHBondContact O-CG2 3.41Å; S175-V179 PolarHBondContact O-N 3.37Å
176	E	52.7	Low	52.3	Low	130 Å²	130	111.4 Å²	111.4	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-66	-37.6	174.6	-72.8	171.8	-180	0	0	111.8	Q172 R174 Q180	Q172-E176 WeakPolarHBondContact O-CG 3.43Å; Q172-E176 PolarHBondContact O-N 2.59Å; R174-E176 VanDerWaalsContact C-N 3.34Å; E176-Q180 PolarHBondContact O-N 2.81Å
177	A	51.5	Low	51.5	Low	49 Å²	49	113.9 Å²	113.9	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-69	-38.5	174.4	0	0	0	0	0	113.3	S173 R174 Q180 E181	S173-A177 WeakPolarHBondContact O-CB 3.34Å; S173-A177 PolarHBondContact O-N 3.06Å; R174-A177 PolarHBondContact O-N 3.05Å; A177-Q180 WeakPolarHBondContact O-CB 3.45Å; A177-Q180 PolarHBondContact O-N 3.24Å; A177-E181 PolarHBondContact O-N 3.34Å
178	E	49.9	Very low	50.3	Low	105 Å²	105	116.1 Å²	116.1	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-69	-33	176	-79.6	174.7	-177.1	0	0	112.2	R174 S175 Q180 T182	R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 WeakPolarHBondContact O-CG 3.43Å; R174-E178 PolarHBondContact O-N 3.08Å; S175-E178 PolarHBondContact O-N 2.77Å; E178-Q180 VanDerWaalsContact C-N 3.29Å; E178-T182 WeakPolarHBondContact O-CB 3.42Å; E178-T182 VanDerWaalsContact O-CG2 3.3Å; E178-T182 WeakPolarHBondContact O-CG2 3.48Å; E178-T182 PolarHBondContact O-N 2.88Å; E178-T182 PolarHBondContact O-OG1 2.78Å
179	V	49	Very low	49.5	Very low	99 Å²	99	123.6 Å²	123.6	60%	0.6	63%	0.63	S	S	*	*	H	α-helix	trans	-68	-30	171.2	173.5	0	0	0	0	111.4	S175 T182	S175-V179 VanDerWaalsContact O-CG2 3.25Å; S175-V179 WeakPolarHBondContact O-CG2 3.41Å; S175-V179 PolarHBondContact O-N 3.37Å; V179-T182 WeakPolarHBondContact CA-OG1 3.35Å; V179-T182 PolarHBondContact O-OG1 3.2Å
180	Q	47.3	Very low	48	Very low	153 Å²	153	129.2 Å²	129.2	72%	0.715	65%	0.647	S	S	*	*	H	α-helix	trans	-78	-36.6	175.7	-151.6	92.1	-2.4	0	0	112.6	E176 A177 E178	E176-Q180 PolarHBondContact O-N 2.81Å; A177-Q180 WeakPolarHBondContact O-CB 3.45Å; A177-Q180 PolarHBondContact O-N 3.24Å; E178-Q180 VanDerWaalsContact C-N 3.29Å
181	E	45.3	Very low	47.2	Very low	148 Å²	148	128.3 Å²	128.3	69%	0.692	65%	0.654	S	S	*	*	H	α-helix	trans	-76.9	-33.7	177.2	-91.1	-177.5	154.9	0	0	113.2	A177 A183 F184	A177-E181 PolarHBondContact O-N 3.34Å; E181-A183 PolarHBondContact O-N 2.8Å; E181-F184 PolarHBondContact O-N 3.21Å
182	T	44.2	Very low	46.3	Very low	106 Å²	106	131.3 Å²	131.3	65%	0.65	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-11.2	175.4	47.3	0	0	0	0	113.8	E178 V179 F184	E178-T182 WeakPolarHBondContact O-CB 3.42Å; E178-T182 VanDerWaalsContact O-CG2 3.3Å; E178-T182 WeakPolarHBondContact O-CG2 3.48Å; E178-T182 PolarHBondContact O-N 2.88Å; E178-T182 PolarHBondContact O-OG1 2.78Å; V179-T182 WeakPolarHBondContact CA-OG1 3.35Å; V179-T182 PolarHBondContact O-OG1 3.2Å; T182-F184 VanDerWaalsContact C-N 3.26Å
183	A	42.3	Very low	45.7	Very low	84 Å²	84	131 Å²	131	69%	0.694	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-10.2	167.6	0	0	0	0	0	113.6	E181	E181-A183 PolarHBondContact O-N 2.8Å
184	F	45.4	Very low	45.1	Very low	188 Å²	188	132 Å²	132	83%	0.825	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	-7.5	-172.2	-119.6	-85.5	0	0	0	116.8	E181 T182	E181-F184 PolarHBondContact O-N 3.21Å; T182-F184 VanDerWaalsContact C-N 3.26Å
185	Q	40.3	Very low	44.7	Very low	176 Å²	176	126.5 Å²	126.5	82%	0.822	68%	0.683	S	S	*	*			trans	-141	96.7	174.2	-74.1	-173	-15.5	0	0	111.7
186	Q	40.8	Very low	44.5	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	69%	0.687	S	S	*	*			trans	-85.6	135.1	160.1	-151.2	165.2	29.5	0	0	107.7
187	Q	40.3	Very low	44.8	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	68%	0.682	S	S	*	*			trans	99	89.7	158.3	-146.2	153.8	8.7	0	0	116.8
188	D	32.7	Very low	45.3	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	70%	0.696	S	S	*	*				-167.3	158.3	106.2	-131.5	-25	0	0	0	113.3
189	K	42.7	Very low	45.8	Very low	182 Å²	182	131.5 Å²	131.5	79%	0.791	70%	0.697	S	S	*	*			trans	-44.9	140.1	-175.5	-75.4	167.3	170.7	171.7	0	116
190	F	32.7	Very low	46.5	Very low	184 Å²	184	130.1 Å²	130.1	81%	0.807	69%	0.686	S	S	*	*				-167.9	119.9	113.3	-116.6	-87.6	0	0	0	109.9	H192	F190-H192 PolarHBondContact O-N 3.26Å
191	G	44.5	Very low	47.5	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	68%	0.678	S	S	*	*			trans	-75.3	109	171.9	0	0	0	0	0	109.8
192	H	43	Very low	48.3	Very low	169 Å²	169	123.3 Å²	123.3	78%	0.782	66%	0.663	S	S	*	*			trans	-164.2	3.6	154.1	-92.1	-57.5	0	0	0	113.3	F190	F190-H192 PolarHBondContact O-N 3.26Å
193	T	47.9	Very low	49.2	Very low	99 Å²	99	122.3 Å²	122.3	61%	0.607	65%	0.654	S	S	*	*	H	α-helix	trans	-85.4	-8.6	-167.8	43.5	0	0	0	0	116.5	N197	T193-N197 PolarHBondContact O-N 3.12Å
194	A	46	Very low	50.3	Low	87 Å²	87	120.7 Å²	120.7	72%	0.719	63%	0.629	S	S	*	*	H	α-helix	trans	-73.3	-33	-175.8	0	0	0	0	0	113.5
195	G	47.6	Very low	51.4	Low	44 Å²	44	119.2 Å²	119.2	45%	0.454	62%	0.623	S	S	.	*	H	α-helix	trans	-74.1	-43.7	178.4	0	0	0	0	0	112.8	N197 F198 I199	G195-N197 PolarHBondContact O-N 2.02Å; G195-F198 PolarHBondContact O-N 2.62Å; G195-I199 WeakPolarHBondContact O-CG1 3.26Å; G195-I199 PolarHBondContact O-N 3.05Å; G195-I199 VanDerWaalsContact O-N 3.15Å
196	D	49	Very low	52.6	Low	106 Å²	106	116.3 Å²	116.3	57%	0.567	61%	0.609	S	S	*	*	H	α-helix	trans	-67.7	-36.5	-179.2	-73.9	-14.9	0	0	0	112.3	F198 I199 L200	D196-F198 VanDerWaalsContact C-N 3.3Å; D196-F198 PolarHBondContact O-N 3.43Å; D196-I199 PolarHBondContact O-N 3.44Å; D196-L200 WeakPolarHBondContact O-CB 3.44Å; D196-L200 WeakPolarHBondContact O-CD1 3.33Å; D196-L200 VanDerWaalsContact O-CG 3.29Å; D196-L200 WeakPolarHBondContact O-CG 3.41Å; D196-L200 PolarHBondContact O-N 3.38Å
197	N	58.6	Low	54	Low	93 Å²	93	110.4 Å²	110.4	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-65.5	-32.1	173.9	-102.4	-22.2	0	0	0	112.9	T193 G195 N201	T193-N197 PolarHBondContact O-N 3.12Å; G195-N197 PolarHBondContact O-N 2.02Å; N197-N201 VanDerWaalsContact O-CB 3.28Å; N197-N201 WeakPolarHBondContact O-CB 3.5Å; N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 PolarHBondContact O-ND2 3.45Å
198	F	60.7	Low	55.5	Low	158 Å²	158	105.9 Å²	105.9	69%	0.693	56%	0.562	S	S	*	*	H	α-helix	trans	-72.1	-41.3	176.8	-167.6	-93.7	0	0	0	111.4	G195 D196 N201 S202	G195-F198 PolarHBondContact O-N 2.62Å; D196-F198 VanDerWaalsContact C-N 3.3Å; D196-F198 PolarHBondContact O-N 3.43Å; F198-N201 PolarHBondContact O-N 3.27Å; F198-S202 WeakPolarHBondContact O-CB 3.32Å; F198-S202 PolarHBondContact O-N 3.15Å
199	I	61.9	Low	57.4	Low	99 Å²	99	103.7 Å²	103.7	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-44.7	176	-64.1	172.4	0	0	0	110.6	G195 D196 S202 L203	G195-I199 WeakPolarHBondContact O-CG1 3.26Å; G195-I199 PolarHBondContact O-N 3.05Å; G195-I199 VanDerWaalsContact O-N 3.15Å; D196-I199 PolarHBondContact O-N 3.44Å; I199-S202 PolarHBondContact O-N 3.31Å; I199-L203 HydrophobicContact CG2-CD1 3.92Å; I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.44Å; I199-L203 PolarHBondContact O-N 3.3Å
200	L	63.8	Low	58.5	Low	71 Å²	71	98.7 Å²	98.7	37%	0.372	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.7	-75.7	163.5	0	0	0	112.2	W171 D196 S202 L203 W204	W171-L200 HydrophobicContact CH2-CB 4.33Å; W171-L200 HydrophobicContact CH2-CD2 3.49Å; W171-L200 VanDerWaalsContact CH2-CD2 3.49Å; W171-L200 HydrophobicContact CZ2-CD2 3.8Å; D196-L200 WeakPolarHBondContact O-CB 3.44Å; D196-L200 WeakPolarHBondContact O-CD1 3.33Å; D196-L200 VanDerWaalsContact O-CG 3.29Å; D196-L200 WeakPolarHBondContact O-CG 3.41Å; D196-L200 PolarHBondContact O-N 3.38Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 3.43Å; L200-L203 PolarHBondContact O-N 2.93Å; L200-W204 WeakPolarHBondContact O-CB 3.31Å; L200-W204 PolarHBondContact O-N 2.67Å
201	N	66.8	Low	60.3	Low	104 Å²	104	92 Å²	92	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-66.8	-34.7	176.6	-76.5	-30.3	0	0	0	112.7	N197 F198 K205	N197-N201 VanDerWaalsContact O-CB 3.28Å; N197-N201 WeakPolarHBondContact O-CB 3.5Å; N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 PolarHBondContact O-ND2 3.45Å; F198-N201 PolarHBondContact O-N 3.27Å; N201-K205 WeakPolarHBondContact O-CB 3.36Å; N201-K205 PolarHBondContact O-N 3.38Å; N201-K205 VanDerWaalsContact O-N 3.13Å
202	S	62	Low	61.6	Low	54 Å²	54	91.1 Å²	91.1	38%	0.378	49%	0.488	S	S	.	.	H	α-helix	trans	-67	-48.4	174.2	-167.3	0	0	0	0	111.5	F198 I199 L200 W204 K205 E206	F198-S202 WeakPolarHBondContact O-CB 3.32Å; F198-S202 PolarHBondContact O-N 3.15Å; I199-S202 PolarHBondContact O-N 3.31Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 3.43Å; S202-W204 VanDerWaalsContact C-N 3.31Å; S202-W204 PolarHBondContact O-N 3.14Å; S202-K205 WeakPolarHBondContact O-CB 3.5Å; S202-K205 PolarHBondContact O-N 2.04Å; S202-E206 PolarHBondContact O-N 2.91Å
203	L	64.1	Low	62.9	Low	85 Å²	85	88.3 Å²	88.3	45%	0.445	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-40	176.4	-78	166.8	0	0	0	112	I199 L200 K205 E206 L207	I199-L203 HydrophobicContact CG2-CD1 3.92Å; I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.44Å; I199-L203 PolarHBondContact O-N 3.3Å; L200-L203 PolarHBondContact O-N 2.93Å; L203-K205 VanDerWaalsContact C-N 3.35Å; L203-K205 PolarHBondContact O-N 2.89Å; L203-E206 PolarHBondContact O-N 3.01Å; L203-L207 WeakPolarHBondContact O-CB 3.25Å; L203-L207 PolarHBondContact O-N 2.88Å
204	W	66	Low	63.8	Low	49 Å²	49	85.2 Å²	85.2	19%	0.186	45%	0.454	C	S	.	.	H	α-helix	trans	-58.9	-46.6	174.5	-178.1	-108.1	0	0	0	112.2	E168 W171 L200 S202 E206 L207 Q208	E168-W204 VanDerWaalsContact CA-CH2 3.47Å; E168-W204 HydrophobicContact CB-CH2 3.63Å; E168-W204 HydrophobicContact CB-CZ2 4.4Å; E168-W204 HydrophobicContact CB-CZ3 4.07Å; E168-W204 HydrophobicContact CG-CH2 3.38Å; E168-W204 HydrophobicContact CG-CZ2 3.69Å; E168-W204 HydrophobicContact CG-CZ3 4.26Å; E168-W204 WeakPolarHBondContact OE1-CZ2 3.45Å; W171-W204 HydrophobicContact CB-CH2 3.86Å; W171-W204 HydrophobicContact CB-CZ3 3.7Å; W171-W204 HydrophobicContact CD2-CE3 4.07Å; W171-W204 AromaticContact CD2-CZ3 3.84Å; W171-W204 HydrophobicContact CD2-CZ3 3.84Å; W171-W204 AromaticContact CE3-CD2 3.96Å; W171-W204 HydrophobicContact CE3-CD2 3.96Å; W171-W204 AromaticContact CE3-CE3 3.18Å; W171-W204 HydrophobicContact CE3-CE3 3.18Å; W171-W204 HydrophobicContact CE3-CH2 4.24Å; W171-W204 AromaticContact CE3-CZ3 3.35Å; W171-W204 HydrophobicContact CE3-CZ3 3.35Å; W171-W204 HydrophobicContact CG-CZ3 4.04Å; W171-W204 HydrophobicContact CZ3-CB 4.08Å; W171-W204 HydrophobicContact CZ3-CD2 4.14Å; W171-W204 AromaticContact CZ3-CE3 3.53Å; W171-W204 HydrophobicContact CZ3-CE3 3.53Å; W171-W204 HydrophobicContact CZ3-CG 4.41Å; W171-W204 HydrophobicContact CZ3-CZ3 4.16Å; L200-W204 WeakPolarHBondContact O-CB 3.31Å; L200-W204 PolarHBondContact O-N 2.67Å; S202-W204 VanDerWaalsContact C-N 3.31Å; S202-W204 PolarHBondContact O-N 3.14Å; W204-E206 VanDerWaalsContact C-N 3.34Å; W204-E206 PolarHBondContact O-N 3.18Å; W204-L207 WeakPolarHBondContact O-CB 3.38Å; W204-L207 PolarHBondContact O-N 3.06Å; W204-Q208 VanDerWaalsContact NE1-NE2 3.16Å; W204-Q208 WeakPolarHBondContact O-CG 3.3Å; W204-Q208 PolarHBondContact O-N 3.22Å
205	K	67.8	Low	64.9	Low	157 Å²	157	86 Å²	86	68%	0.683	44%	0.441	S	S	*	.	H	α-helix	trans	-64.1	-40.2	179.3	-165.9	179.2	-180	-176.4	0	111.6	N201 S202 L203 Q208 Q209	N201-K205 WeakPolarHBondContact O-CB 3.36Å; N201-K205 PolarHBondContact O-N 3.38Å; N201-K205 VanDerWaalsContact O-N 3.13Å; S202-K205 WeakPolarHBondContact O-CB 3.5Å; S202-K205 PolarHBondContact O-N 2.04Å; L203-K205 VanDerWaalsContact C-N 3.35Å; L203-K205 PolarHBondContact O-N 2.89Å; K205-Q208 PolarHBondContact O-N 3.25Å; K205-Q209 WeakPolarHBondContact O-CB 3.46Å; K205-Q209 PolarHBondContact O-N 3Å
206	E	66.1	Low	66	Low	116 Å²	116	88.7 Å²	88.7	54%	0.542	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-39.7	173.6	-74.5	-179.3	-172.4	0	0	112.4	S202 L203 W204 Q209 T210	S202-E206 PolarHBondContact O-N 2.91Å; L203-E206 PolarHBondContact O-N 3.01Å; W204-E206 VanDerWaalsContact C-N 3.34Å; W204-E206 PolarHBondContact O-N 3.18Å; E206-Q209 PolarHBondContact O-N 2.91Å; E206-T210 WeakPolarHBondContact O-CB 3.45Å; E206-T210 PolarHBondContact O-N 3.23Å; E206-T210 PolarHBondContact O-OG1 3.05Å
207	L	68.7	Low	66.8	Low	64 Å²	64	86.8 Å²	86.8	34%	0.335	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-47.2	174.6	-119.3	112.7	0	0	0	111.5	L164 L203 W204 T210 R211	L164-L207 HydrophobicContact CD1-CD2 4.47Å; L164-L207 HydrophobicContact CD2-CB 4.36Å; L164-L207 HydrophobicContact CD2-CD2 3.49Å; L164-L207 VanDerWaalsContact CD2-CD2 3.49Å; L164-L207 HydrophobicContact CD2-CG 3.81Å; L164-L207 WeakPolarHBondContact CD2-O 3.45Å; L164-L207 HydrophobicContact CG-CD2 3.51Å; L164-L207 HydrophobicContact CG-CG 4.25Å; L203-L207 WeakPolarHBondContact O-CB 3.25Å; L203-L207 PolarHBondContact O-N 2.88Å; W204-L207 WeakPolarHBondContact O-CB 3.38Å; W204-L207 PolarHBondContact O-N 3.06Å; L207-T210 PolarHBondContact O-N 3.42Å; L207-R211 WeakPolarHBondContact O-CB 3.45Å; L207-R211 PolarHBondContact O-N 3.45Å
208	Q	71.8	Confident	67	Low	84 Å²	84	83.8 Å²	83.8	39%	0.393	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-42.4	178	-73.3	-168.2	-29.4	0	0	111.7	E168 W204 K205 R211 A212	E168-Q208 WeakPolarHBondContact OE1-CG 3.32Å; E168-Q208 PolarHBondContact OE1-NE2 3.48Å; W204-Q208 VanDerWaalsContact NE1-NE2 3.16Å; W204-Q208 WeakPolarHBondContact O-CG 3.3Å; W204-Q208 PolarHBondContact O-N 3.22Å; K205-Q208 PolarHBondContact O-N 3.25Å; Q208-R211 PolarHBondContact O-N 2.97Å; Q208-A212 PolarHBondContact O-N 3.15Å
209	Q	73.1	Confident	67.1	Low	108 Å²	108	83 Å²	83	51%	0.505	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-49	176.3	-178.1	63.1	21.5	0	0	111.4	K205 E206 R211 A212 E213	K205-Q209 WeakPolarHBondContact O-CB 3.46Å; K205-Q209 PolarHBondContact O-N 3Å; E206-Q209 PolarHBondContact O-N 2.91Å; Q209-R211 VanDerWaalsContact C-N 3.27Å; Q209-R211 PolarHBondContact O-N 3.29Å; Q209-A212 WeakPolarHBondContact O-CB 3.47Å; Q209-A212 PolarHBondContact O-N 2.96Å; Q209-E213 PolarHBondContact NE2-OE1 2.84Å; Q209-E213 PolarHBondContact O-N 3.45Å
210	T	66.7	Low	67.3	Low	76 Å²	76	85.6 Å²	85.6	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-41.9	177.8	-55.2	0	0	0	0	110.8	E206 L207 A212 E213 L214	E206-T210 WeakPolarHBondContact O-CB 3.45Å; E206-T210 PolarHBondContact O-N 3.23Å; E206-T210 PolarHBondContact O-OG1 3.05Å; L207-T210 PolarHBondContact O-N 3.42Å; T210-A212 PolarHBondContact O-N 3.27Å; T210-E213 PolarHBondContact O-N 3.2Å; T210-L214 VanDerWaalsContact O-CB 3.26Å; T210-L214 WeakPolarHBondContact O-CB 2.89Å; T210-L214 PolarHBondContact O-N 3.48Å
211	R	69.9	Low	67.3	Low	44 Å²	44	82.5 Å²	82.5	17%	0.166	41%	0.411	C	S	.	.	H	α-helix	trans	-63	-41.3	175.4	-176.4	-177.6	-178.4	178.2	1.8	112.4	L164 S165 E168 L207 Q208 Q209 L214 K215	L164-R211 HydrophobicContact CD2-CB 4.14Å; S165-R211 PolarHBondContact OG-NH1 2.93Å; S165-R211 PolarHBondContact OG-NH2 2.88Å; E168-R211 IonicContact OE2-CZ 2.85Å; E168-R211 IonicContact OE2-NH1 2.67Å; E168-R211 PolarHBondContact OE2-NH1 3.29Å; L207-R211 WeakPolarHBondContact O-CB 3.45Å; L207-R211 PolarHBondContact O-N 3.45Å; Q208-R211 PolarHBondContact O-N 2.97Å; Q209-R211 VanDerWaalsContact C-N 3.27Å; Q209-R211 PolarHBondContact O-N 3.29Å; R211-L214 PolarHBondContact O-N 3.37Å; R211-K215 WeakPolarHBondContact O-CG 3.39Å; R211-K215 PolarHBondContact O-N 3.46Å
212	A	71.5	Confident	66.9	Low	47 Å²	47	80.1 Å²	80.1	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-46.1	177.9	0	0	0	0	0	110.9	Q208 Q209 T210 L214 K215 V216	Q208-A212 PolarHBondContact O-N 3.15Å; Q209-A212 WeakPolarHBondContact O-CB 3.47Å; Q209-A212 PolarHBondContact O-N 2.96Å; T210-A212 PolarHBondContact O-N 3.27Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 PolarHBondContact O-N 2.83Å; A212-K215 PolarHBondContact O-N 2.83Å; A212-V216 WeakPolarHBondContact O-CG2 3.03Å; A212-V216 PolarHBondContact O-N 3.34Å
213	E	71.4	Confident	66.8	Low	110 Å²	110	81.9 Å²	81.9	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175.6	-70.7	173.9	-168.5	0	0	111.9	Q209 T210 K215 V216 S217	Q209-E213 PolarHBondContact NE2-OE1 2.84Å; Q209-E213 PolarHBondContact O-N 3.45Å; T210-E213 PolarHBondContact O-N 3.2Å; E213-K215 PolarHBondContact O-N 3.01Å; E213-V216 WeakPolarHBondContact O-CB 3.46Å; E213-V216 PolarHBondContact O-N 3.09Å; E213-S217 WeakPolarHBondContact O-CB 3.12Å; E213-S217 PolarHBondContact O-N 2.79Å
214	L	66.8	Low	66.7	Low	33 Å²	33	82.2 Å²	82.2	17%	0.173	41%	0.407	C	S	.	.	H	α-helix	trans	-65	-40.6	177.6	-159.2	63.7	0	0	0	112.2	S157 V160 T210 R211 A212 V216 S217 Q218	S157-L214 VanDerWaalsContact O-CD2 3.31Å; S157-L214 WeakPolarHBondContact O-CD2 3.32Å; S157-L214 WeakPolarHBondContact OG-CD1 3.42Å; S157-L214 VanDerWaalsContact OG-CG 3.28Å; S157-L214 WeakPolarHBondContact OG-CG 3.43Å; V160-L214 HydrophobicContact CG1-CD2 4.35Å; T210-L214 VanDerWaalsContact O-CB 3.26Å; T210-L214 WeakPolarHBondContact O-CB 2.89Å; T210-L214 PolarHBondContact O-N 3.48Å; R211-L214 PolarHBondContact O-N 3.37Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 PolarHBondContact O-N 2.83Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-S217 PolarHBondContact O-N 3.39Å; L214-Q218 WeakPolarHBondContact O-CB 3.36Å; L214-Q218 VanDerWaalsContact O-CG 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.21Å; L214-Q218 PolarHBondContact O-N 2.9Å
215	K	68.6	Low	67	Low	104 Å²	104	83 Å²	83	45%	0.452	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-39.6	172.8	-80.4	-179.5	177.2	176.3	0	112	R211 A212 E213 K219	R211-K215 WeakPolarHBondContact O-CG 3.39Å; R211-K215 PolarHBondContact O-N 3.46Å; A212-K215 PolarHBondContact O-N 2.83Å; E213-K215 PolarHBondContact O-N 3.01Å; K215-K219 VanDerWaalsContact O-CB 3.3Å; K215-K219 WeakPolarHBondContact O-CB 3.31Å; K215-K219 PolarHBondContact O-N 3.36Å
216	V	70.4	Confident	67.8	Low	101 Å²	101	76.5 Å²	76.5	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-46.1	175.7	171	0	0	0	0	110.1	A212 E213 L214 Q218 K219 W220	A212-V216 WeakPolarHBondContact O-CG2 3.03Å; A212-V216 PolarHBondContact O-N 3.34Å; E213-V216 WeakPolarHBondContact O-CB 3.46Å; E213-V216 PolarHBondContact O-N 3.09Å; L214-V216 VanDerWaalsContact C-N 3.34Å; V216-Q218 PolarHBondContact O-N 2.78Å; V216-K219 PolarHBondContact O-N 3.19Å; V216-W220 WeakPolarHBondContact O-CB 3.3Å; V216-W220 PolarHBondContact O-N 3.21Å
217	S	65.1	Low	68.6	Low	65 Å²	65	71.8 Å²	71.8	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-44.4	176	-179.5	0	0	0	0	112	E213 L214 K219 W220 A221	E213-S217 WeakPolarHBondContact O-CB 3.12Å; E213-S217 PolarHBondContact O-N 2.79Å; L214-S217 PolarHBondContact O-N 3.39Å; S217-K219 PolarHBondContact O-N 3.49Å; S217-W220 WeakPolarHBondContact O-CB 3.47Å; S217-W220 PolarHBondContact O-N 2.82Å; S217-A221 VanDerWaalsContact O-CB 3.26Å; S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.21Å
218	Q	63.2	Low	68.9	Low	31 Å²	31	69.4 Å²	69.4	15%	0.145	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-40.6	175.1	-75.2	171.4	9.4	0	0	112.7	L154 S157 H158 L214 V216 A222	L154-Q218 HydrophobicContact CD2-CG 4.44Å; S157-Q218 VanDerWaalsContact C-NE2 3.31Å; S157-Q218 PolarHBondContact O-NE2 2.97Å; S157-Q218 PolarHBondContact OG-NE2 3.44Å; H158-Q218 VanDerWaalsContact CA-NE2 3.28Å; L214-Q218 WeakPolarHBondContact O-CB 3.36Å; L214-Q218 VanDerWaalsContact O-CG 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.21Å; L214-Q218 PolarHBondContact O-N 2.9Å; V216-Q218 PolarHBondContact O-N 2.78Å; Q218-A222 VanDerWaalsContact O-CB 3.31Å; Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 2.94Å
219	K	62.5	Low	69.1	Low	142 Å²	142	68.1 Å²	68.1	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-66.9	-40.1	176.7	-170.2	177.5	-178.8	-177.4	0	111.1	K215 V216 S217 Q223	K215-K219 VanDerWaalsContact O-CB 3.3Å; K215-K219 WeakPolarHBondContact O-CB 3.31Å; K215-K219 PolarHBondContact O-N 3.36Å; V216-K219 PolarHBondContact O-N 3.19Å; S217-K219 PolarHBondContact O-N 3.49Å; K219-Q223 WeakPolarHBondContact O-CB 3.43Å; K219-Q223 WeakPolarHBondContact O-CG 3.49Å; K219-Q223 PolarHBondContact O-N 2.87Å
220	W	66.3	Low	69.7	Low	153 Å²	153	63.5 Å²	63.5	58%	0.58	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-49.7	174.7	-177.4	88.4	0	0	0	110.9	V216 S217 Q223 H224	V216-W220 WeakPolarHBondContact O-CB 3.3Å; V216-W220 PolarHBondContact O-N 3.21Å; S217-W220 WeakPolarHBondContact O-CB 3.47Å; S217-W220 PolarHBondContact O-N 2.82Å; W220-Q223 WeakPolarHBondContact O-CB 3.32Å; W220-Q223 PolarHBondContact O-N 3.02Å; W220-Q223 VanDerWaalsContact O-N 3.1Å; W220-H224 AromaticContact CD1-CE1 3.7Å; W220-H224 AromaticContact CD1-ND1 3.76Å; W220-H224 AromaticContact CE2-ND1 3.91Å; W220-H224 AromaticContact CG-ND1 3.96Å; W220-H224 AromaticContact NE1-CE1 3.62Å; W220-H224 AromaticContact NE1-ND1 3.71Å; W220-H224 PolarHBondContact O-N 2.91Å; W220-H224 PolarHBondContact O-ND1 2.89Å
221	A	63.6	Low	70.5	Confident	5 Å²	5	66.8 Å²	66.8	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-55.5	-52.6	173.9	0	0	0	0	0	112.3	L154 S217 Q223 H224 L225	L154-A221 HydrophobicContact CD1-CB 3.55Å; L154-A221 HydrophobicContact CD2-CB 3.7Å; L154-A221 HydrophobicContact CG-CB 4.01Å; S217-A221 VanDerWaalsContact O-CB 3.26Å; S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.21Å; A221-Q223 PolarHBondContact O-N 2.93Å; A221-H224 PolarHBondContact O-N 3.18Å; A221-H224 VanDerWaalsContact O-N 3.1Å; A221-L225 HydrophobicContact CB-CD1 3.82Å; A221-L225 VanDerWaalsContact O-CB 3.29Å; A221-L225 WeakPolarHBondContact O-CB 3.44Å; A221-L225 PolarHBondContact O-N 2.96Å
222	A	60.1	Low	71.6	Confident	54 Å²	54	66.9 Å²	66.9	45%	0.446	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-17.1	179.3	0	0	0	0	0	113.9	Q218 K265	Q218-A222 VanDerWaalsContact O-CB 3.31Å; Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 2.94Å; A222-K265 PolarHBondContact O-NZ 2.8Å
223	Q	58.2	Low	72.7	Confident	92 Å²	92	64.7 Å²	64.7	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-89.5	-30.4	175.9	-75.7	175.5	-7.7	0	0	113.4	K219 W220 A221 K383	K219-Q223 WeakPolarHBondContact O-CB 3.43Å; K219-Q223 WeakPolarHBondContact O-CG 3.49Å; K219-Q223 PolarHBondContact O-N 2.87Å; W220-Q223 WeakPolarHBondContact O-CB 3.32Å; W220-Q223 PolarHBondContact O-N 3.02Å; W220-Q223 VanDerWaalsContact O-N 3.1Å; A221-Q223 PolarHBondContact O-N 2.93Å; Q223-K383 PolarHBondContact O-NZ 2.89Å; Q223-K383 VanDerWaalsContact O-NZ 3.11Å
224	H	62.2	Low	73.9	Confident	92 Å²	92	59.4 Å²	59.4	43%	0.426	32%	0.318	S	S	.	.	H	α-helix	trans	-113.2	-16.2	-171.4	-63.1	82.3	0	0	0	114.2	W220 A221	W220-H224 AromaticContact CD1-CE1 3.7Å; W220-H224 AromaticContact CD1-ND1 3.76Å; W220-H224 AromaticContact CE2-ND1 3.91Å; W220-H224 AromaticContact CG-ND1 3.96Å; W220-H224 AromaticContact NE1-CE1 3.62Å; W220-H224 AromaticContact NE1-ND1 3.71Å; W220-H224 PolarHBondContact O-N 2.91Å; W220-H224 PolarHBondContact O-ND1 2.89Å; A221-H224 PolarHBondContact O-N 3.18Å; A221-H224 VanDerWaalsContact O-N 3.1Å
225	L	73.7	Confident	75.4	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.335	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-88.2	123.9	170.7	-79.6	151.4	0	0	0	109.8	L150 L154 A221	L150-L225 HydrophobicContact CD2-CD1 4.18Å; L150-L225 HydrophobicContact CD2-CD2 3.76Å; L150-L225 HydrophobicContact CD2-CG 4.4Å; L150-L225 HydrophobicContact CG-CD1 4.34Å; L150-L225 HydrophobicContact CG-CD2 4.5Å; L154-L225 HydrophobicContact CD1-CD1 3.17Å; A221-L225 HydrophobicContact CB-CD1 3.82Å; A221-L225 VanDerWaalsContact O-CB 3.29Å; A221-L225 WeakPolarHBondContact O-CB 3.44Å; A221-L225 PolarHBondContact O-N 2.96Å
226	L	84.1	Confident	76.8	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.11	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-82.9	145.8	170.4	-60.6	-179.2	0	0	0	109.2	C230 A233 W318	L226-C230 HydrophobicContact CB-CB 4.22Å; L226-C230 VanDerWaalsContact CB-O 3.3Å; L226-C230 WeakPolarHBondContact CB-O 3.1Å; L226-C230 WeakPolarHBondContact CD1-O 3.44Å; L226-A233 HydrophobicContact CD1-CB 4.02Å; L226-A233 HydrophobicContact CD2-CB 3.61Å; L226-A233 HydrophobicContact CG-CB 4.48Å; L226-W318 HydrophobicContact CD2-CH2 4.39Å; L226-W318 HydrophobicContact CD2-CZ2 3.83Å
227	P	82.8	Confident	78	Confident	17 Å²	17	53.2 Å²	53.2	11%	0.11	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-66.7	158.9	179.2	28.9	-35.5	0	0	0	111.2	G229 C230 W263 W318 T385	P227-G229 VanDerWaalsContact C-N 3.26Å; P227-G229 PolarHBondContact O-N 3.12Å; P227-G229 VanDerWaalsContact O-N 3.12Å; P227-C230 WeakPolarHBondContact O-CB 3.34Å; P227-C230 PolarHBondContact O-N 2.71Å; P227-C230 VanDerWaalsContact O-N 3.14Å; P227-C230 PolarHBondContact O-SG 2.86Å; P227-W263 HydrophobicContact CB-CD2 3.63Å; P227-W263 HydrophobicContact CB-CE3 3.55Å; P227-W263 HydrophobicContact CB-CG 4.22Å; P227-W263 HydrophobicContact CB-CH2 4.04Å; P227-W263 HydrophobicContact CB-CZ2 4.12Å; P227-W263 HydrophobicContact CB-CZ3 3.77Å; P227-W263 HydrophobicContact CG-CB 3.83Å; P227-W263 HydrophobicContact CG-CD2 3.58Å; P227-W263 HydrophobicContact CG-CE3 3.63Å; P227-W263 HydrophobicContact CG-CG 3.7Å; P227-W263 HydrophobicContact CG-CZ3 4.35Å; P227-W318 HydrophobicContact CG-CD2 3.79Å; P227-W318 HydrophobicContact CG-CE3 3.84Å; P227-W318 HydrophobicContact CG-CG 4.18Å; P227-W318 HydrophobicContact CG-CZ3 4.26Å; P227-T385 HydrophobicContact CG-CG2 3.77Å
228	A	75.6	Confident	79.5	Confident	14 Å²	14	55.6 Å²	55.6	12%	0.116	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	56.5	32.6	162.4	0	0	0	0	0	116.1	C230 W263 G404 E405 A407 C408	A228-C230 PolarHBondContact O-N 2.91Å; A228-W263 HydrophobicContact CB-CZ2 4.1Å; A228-G404 WeakPolarHBondContact CA-O 3.31Å; A228-G404 WeakPolarHBondContact CB-O 3.46Å; A228-E405 CarbonylContact C-O 3.07Å; A228-A407 HydrophobicContact CB-CB 3.73Å; A228-C408 PolarHBondContact O-N 2.87Å
229	G	75.9	Confident	81.2	Confident	58 Å²	58	55.4 Å²	55.4	60%	0.598	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	69.7	16.2	177.5	0	0	0	0	0	114.3	P227 E405	P227-G229 VanDerWaalsContact C-N 3.26Å; P227-G229 PolarHBondContact O-N 3.12Å; P227-G229 VanDerWaalsContact O-N 3.12Å; G229-E405 PolarHBondContact N-O 2.8Å
230	C	84.5	Confident	82.7	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.068	27%	0.273	C	S	.	.			trans	-71	133.7	178	-54.4	0	0	0	0	111.1	L226 P227 A228 T385 C408	L226-C230 HydrophobicContact CB-CB 4.22Å; L226-C230 VanDerWaalsContact CB-O 3.3Å; L226-C230 WeakPolarHBondContact CB-O 3.1Å; L226-C230 WeakPolarHBondContact CD1-O 3.44Å; P227-C230 WeakPolarHBondContact O-CB 3.34Å; P227-C230 PolarHBondContact O-N 2.71Å; P227-C230 VanDerWaalsContact O-N 3.14Å; P227-C230 PolarHBondContact O-SG 2.86Å; A228-C230 PolarHBondContact O-N 2.91Å; C230-T385 HydrophobicContact CB-CG2 4.16Å; C230-T385 WeakPolarHBondContact CB-OG1 3.16Å; C230-C408 VanDerWaalsContact CA-SG 3.59Å; C230-C408 HydrophobicContact CB-CB 3.85Å; C230-C408 WeakPolarHBondContact CB-SG 3.22Å; C230-C408 WeakPolarHBondContact SG-CB 3.49Å; C230-C408 CovalentContact SG-SG 2.02Å; C230-C408 PolarHBondContact SG-SG 3.39Å
231	E	85.1	Confident	84.1	Confident	146 Å²	146	47.7 Å²	47.7	68%	0.682	27%	0.267	S	S	*	.	S	Bend	trans	-82.9	-23.6	178	-65	173.1	-161	0	0	113.3
232	T	91.8	Very high	85.6	Confident	46 Å²	46	55.1 Å²	55.1	28%	0.282	30%	0.298	S	S	.	.			trans	-139.4	152.3	-174.6	59.6	0	0	0	0	112.1	T385 W417 V431	T232-T385 WeakPolarHBondContact O-CB 3.47Å; T232-T385 PolarHBondContact O-OG1 2.66Å; T232-W417 WeakPolarHBondContact O-CZ2 3.23Å; T232-W417 PolarHBondContact O-NE1 2.87Å; T232-V431 CarbonylContact C-O 3.21Å; T232-V431 WeakPolarHBondContact CA-O 3.24Å
233	A	95.1	Very high	87.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.2	171.3	0	0	0	0	0	109.6	L226 W318 L384 Y430 V431	L226-A233 HydrophobicContact CD1-CB 4.02Å; L226-A233 HydrophobicContact CD2-CB 3.61Å; L226-A233 HydrophobicContact CG-CB 4.48Å; A233-W318 HydrophobicContact CB-CH2 4.48Å; A233-L384 CarbonylContact C-O 3.53Å; A233-L384 VanDerWaalsContact CA-O 3.25Å; A233-L384 WeakPolarHBondContact CA-O 3.38Å; A233-L384 VanDerWaalsContact CB-O 3.32Å; A233-L384 WeakPolarHBondContact CB-O 3.38Å; A233-Y430 CarbonylContact O-C 3.48Å; A233-Y430 VanDerWaalsContact O-CA 3.32Å; A233-Y430 WeakPolarHBondContact O-CA 3.35Å; A233-V431 HydrophobicContact CB-CG2 4.05Å; A233-V431 PolarHBondContact N-O 2.94Å; A233-V431 WeakPolarHBondContact O-CG2 3.43Å; A233-V431 PolarHBondContact O-N 2.83Å
234	I	97.3	Very high	89.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.3	169.3	-62.9	166.1	0	0	0	108.4	F236 I361 K383 L384 W417 V422 A428 Q429 Y430	I234-F236 HydrophobicContact CB-CE2 4.03Å; I234-F236 HydrophobicContact CG2-CD2 4.09Å; I234-F236 HydrophobicContact CG2-CE2 3.42Å; I234-F236 VanDerWaalsContact CG2-CE2 3.42Å; I234-F236 HydrophobicContact CG2-CZ 3.85Å; I234-I361 HydrophobicContact CD1-CD1 3.78Å; I234-K383 WeakPolarHBondContact O-CA 3.38Å; I234-L384 HydrophobicContact CB-CD1 4.23Å; I234-L384 HydrophobicContact CB-CG 4.44Å; I234-L384 HydrophobicContact CD1-CD1 4.4Å; I234-L384 PolarHBondContact N-O 2.88Å; I234-L384 PolarHBondContact O-N 3.19Å; I234-W417 HydrophobicContact CD1-CH2 3.8Å; I234-W417 HydrophobicContact CD1-CZ3 4.2Å; I234-W417 HydrophobicContact CG1-CH2 3.87Å; I234-V422 HydrophobicContact CD1-CB 4.18Å; I234-V422 HydrophobicContact CD1-CG1 3.56Å; I234-A428 HydrophobicContact CG2-CB 4.21Å; I234-Q429 WeakPolarHBondContact CA-O 3.38Å; I234-Y430 HydrophobicContact CD1-CE1 3.9Å; I234-Y430 HydrophobicContact CG1-CD1 3.75Å; I234-Y430 HydrophobicContact CG1-CE1 3.61Å; I234-Y430 HydrophobicContact CG1-CG 4.31Å
235	L	97.3	Very high	90.8	Very high	42 Å²	42	44.9 Å²	44.9	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.7	175.4	175.4	66	0	0	0	110.5	K383 A428 Q429 V431	L235-K383 HydrophobicContact CD1-CG 3.8Å; L235-A428 VanDerWaalsContact O-CA 3.29Å; L235-A428 WeakPolarHBondContact O-CA 3.35Å; L235-Q429 HydrophobicContact CB-CG 4.46Å; L235-Q429 PolarHBondContact N-O 2.77Å; L235-Q429 PolarHBondContact O-N 3.48Å; L235-V431 HydrophobicContact CB-CG1 3.83Å; L235-V431 HydrophobicContact CB-CG2 4.14Å; L235-V431 HydrophobicContact CD2-CG1 4.18Å
236	F	98.1	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	96.7	169.8	-65	-104	0	0	0	107.5	I234 M238 I243 I361 F380 G382 L384 A428	I234-F236 HydrophobicContact CB-CE2 4.03Å; I234-F236 HydrophobicContact CG2-CD2 4.09Å; I234-F236 HydrophobicContact CG2-CE2 3.42Å; I234-F236 VanDerWaalsContact CG2-CE2 3.42Å; I234-F236 HydrophobicContact CG2-CZ 3.85Å; F236-M238 VanDerWaalsContact C-N 3.28Å; F236-M238 PolarHBondContact O-N 2.92Å; F236-I243 HydrophobicContact CB-CG2 4.41Å; F236-I243 HydrophobicContact CD1-CG2 3.57Å; F236-I243 HydrophobicContact CE1-CG2 4.24Å; F236-I243 HydrophobicContact CG-CG2 4.35Å; F236-I361 HydrophobicContact CE2-CD1 4.34Å; F236-I361 HydrophobicContact CZ-CB 4.43Å; F236-I361 HydrophobicContact CZ-CD1 3.82Å; F236-I361 HydrophobicContact CZ-CG1 3.92Å; F236-F380 HydrophobicContact CB-CD1 3.88Å; F236-F380 HydrophobicContact CB-CE1 4.37Å; F236-F380 HydrophobicContact CD1-CD1 4.29Å; F236-F380 AromaticContact CD2-CD1 3.66Å; F236-F380 HydrophobicContact CD2-CD1 3.66Å; F236-F380 AromaticContact CD2-CE1 3.84Å; F236-F380 HydrophobicContact CD2-CE1 3.84Å; F236-F380 HydrophobicContact CE2-CD1 4.3Å; F236-F380 AromaticContact CG-CD1 3.68Å; F236-F380 HydrophobicContact CG-CD1 3.68Å; F236-F380 HydrophobicContact CG-CE1 4.25Å; F236-G382 PolarHBondContact N-O 3.04Å; F236-G382 PolarHBondContact O-N 2.79Å; F236-L384 HydrophobicContact CD2-CD2 4.3Å; F236-L384 HydrophobicContact CE2-CD2 3.48Å; F236-L384 VanDerWaalsContact CE2-CD2 3.48Å; F236-L384 HydrophobicContact CE2-CG 3.86Å; F236-L384 HydrophobicContact CZ-CD2 4.04Å; F236-A428 HydrophobicContact CD1-CB 4.42Å; F236-A428 HydrophobicContact CE1-CB 4.25Å
237	P	96.7	Very high	92.6	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	22%	0.223	S	C	.	.			trans	-67	-26.3	-165.5	24.3	-34.7	0	0	0	114.1	I243 G427	P237-I243 HydrophobicContact CG-CD1 3.92Å; P237-G427 WeakPolarHBondContact CD-O 3.25Å
238	M	96.6	Very high	93.2	Very high	115 Å²	115	44 Å²	44	57%	0.567	23%	0.234	S	C	*	.	S	Bend	trans	-158	164.5	179.8	64.6	-168.7	72.4	0	0	110.4	F236 S240 I243	F236-M238 VanDerWaalsContact C-N 3.28Å; F236-M238 PolarHBondContact O-N 2.92Å; M238-S240 PolarHBondContact O-N 3.07Å; M238-I243 HydrophobicContact CG-CD1 3.87Å
239	R	97	Very high	94.2	Very high	26 Å²	26	45.4 Å²	45.4	10%	0.098	24%	0.242	C	C	.	.			trans	-69.2	123.6	169	-58	-177.3	73.2	96.6	1	108.3	E268 K272 T273 E376 A377 A379	R239-E268 PolarHBondContact NH1-O 2.96Å; R239-K272 PolarHBondContact NH2-O 3.07Å; R239-T273 PolarHBondContact NH1-OG1 2.81Å; R239-T273 PolarHBondContact NH2-OG1 3.05Å; R239-E376 HydrophobicContact CB-CG 4.41Å; R239-E376 PolarHBondContact NE-O 3.09Å; R239-A377 PolarHBondContact NH2-O 2.83Å; R239-A379 HydrophobicContact CB-CB 4.11Å; R239-A379 PolarHBondContact NE-O 3.35Å; R239-A379 PolarHBondContact NH1-O 3.13Å; R239-A379 VanDerWaalsContact NH1-O 3.12Å; R239-A379 PolarHBondContact NH2-O 3.14Å; R239-A379 VanDerWaalsContact NH2-O 3.14Å
240	S	95.5	Very high	95	Very high	27 Å²	27	47.2 Å²	47.2	19%	0.189	24%	0.242	C	C	.	.			trans	-161.7	139.2	-178.3	170.7	0	0	0	0	111.4	M238 K242 I243 Q363	M238-S240 PolarHBondContact O-N 3.07Å; S240-K242 PolarHBondContact O-N 2.66Å; S240-K242 PolarHBondContact OG-N 2.89Å; S240-I243 PolarHBondContact O-N 3.12Å; S240-Q363 PolarHBondContact O-NE2 3.46Å
241	K	94.8	Very high	95.5	Very high	106 Å²	106	48.7 Å²	48.7	46%	0.461	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.6	174.6	-57.5	-178.5	179.7	-171.3	0	114.2	F374 E376	K241-F374 HydrophobicContact CB-CB 4.25Å; K241-F374 VanDerWaalsContact CD-O 3.3Å; K241-F374 WeakPolarHBondContact CD-O 3.2Å; K241-F374 WeakPolarHBondContact CG-O 3.47Å; K241-F374 WeakPolarHBondContact O-CD2 3.32Å; K241-E376 HydrophobicContact CD-CB 4.49Å; K241-E376 HydrophobicContact CG-CB 3.86Å
242	K	94.5	Very high	95.9	Very high	161 Å²	161	47.4 Å²	47.4	70%	0.7	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-18.6	-179.3	-62	-178.2	-179.9	178.6	0	112.5	S240 G426	S240-K242 PolarHBondContact O-N 2.66Å; S240-K242 PolarHBondContact OG-N 2.89Å; K242-G426 VanDerWaalsContact O-CA 3.29Å; K242-G426 WeakPolarHBondContact O-CA 3.42Å
243	I	96.9	Very high	96.1	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.036	24%	0.24	C	C	.	.			trans	-96.7	121.1	-173.2	-58.3	175.9	0	0	0	109	F236 P237 M238 S240 Q363 H425 G426 A428	F236-I243 HydrophobicContact CB-CG2 4.41Å; F236-I243 HydrophobicContact CD1-CG2 3.57Å; F236-I243 HydrophobicContact CE1-CG2 4.24Å; F236-I243 HydrophobicContact CG-CG2 4.35Å; P237-I243 HydrophobicContact CG-CD1 3.92Å; M238-I243 HydrophobicContact CG-CD1 3.87Å; S240-I243 PolarHBondContact O-N 3.12Å; I243-Q363 WeakPolarHBondContact O-CG 3.21Å; I243-Q363 PolarHBondContact O-NE2 2.9Å; I243-Q363 VanDerWaalsContact O-NE2 3.11Å; I243-H425 WeakPolarHBondContact CA-O 3.36Å; I243-G426 WeakPolarHBondContact CG1-O 3.41Å; I243-A428 HydrophobicContact CG2-CB 3.84Å
244	F	97.4	Very high	96.2	Very high	17 Å²	17	49 Å²	49	8%	0.075	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	169.6	176.3	70.3	-76.9	0	0	0	109.5	I361 Q363 V370 F374 H425	F244-I361 WeakPolarHBondContact CA-O 3.34Å; F244-Q363 HydrophobicContact CB-CB 4.23Å; F244-Q363 HydrophobicContact CB-CG 3.65Å; F244-V370 HydrophobicContact CE2-CG1 3.59Å; F244-V370 HydrophobicContact CZ-CG1 3.99Å; F244-F374 HydrophobicContact CB-CE2 3.91Å; F244-F374 HydrophobicContact CB-CZ 4.43Å; F244-F374 HydrophobicContact CD1-CD2 4.35Å; F244-F374 AromaticContact CD1-CE2 3.52Å; F244-F374 HydrophobicContact CD1-CE2 3.52Å; F244-F374 HydrophobicContact CD1-CZ 4.41Å; F244-F374 HydrophobicContact CD2-CE2 4.12Å; F244-F374 HydrophobicContact CD2-CZ 4.24Å; F244-F374 AromaticContact CE1-CE2 3.98Å; F244-F374 HydrophobicContact CE1-CE2 3.98Å; F244-F374 AromaticContact CG-CE2 3.59Å; F244-F374 HydrophobicContact CG-CE2 3.59Å; F244-F374 HydrophobicContact CG-CZ 4.13Å; F244-F374 HydrophobicContact CZ-CE2 4.47Å; F244-H425 HydrophobicContact CD1-CB 3.67Å; F244-H425 AromaticContact CD2-CD2 3.98Å; F244-H425 HydrophobicContact CE1-CB 3.36Å; F244-H425 AromaticContact CE1-CD2 4Å; F244-H425 AromaticContact CE1-CG 3.74Å; F244-H425 HydrophobicContact CE2-CB 4.31Å; F244-H425 AromaticContact CE2-CD2 3.36Å; F244-H425 WeakPolarHBondContact CE2-CD2 3.21Å; F244-H425 AromaticContact CE2-CG 3.97Å; F244-H425 HydrophobicContact CG-CB 4.3Å; F244-H425 HydrophobicContact CZ-CB 3.71Å; F244-H425 AromaticContact CZ-CD2 3.38Å; F244-H425 WeakPolarHBondContact CZ-CD2 3.5Å; F244-H425 AromaticContact CZ-CG 3.51Å; F244-H425 PolarHBondContact O-N 3.47Å
245	G	97.4	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132	165	0	0	0	0	0	110.8	Q360 I361 L423	G245-Q360 CarbonylContact O-C 3.49Å; G245-Q360 WeakPolarHBondContact O-CA 3.29Å; G245-Q360 WeakPolarHBondContact O-CB 3.47Å; G245-I361 VanDerWaalsContact CA-CG1 3.49Å; G245-I361 PolarHBondContact N-O 3.13Å; G245-I361 WeakPolarHBondContact O-CG1 3.36Å; G245-I361 PolarHBondContact O-N 3.41Å; G245-L423 CarbonylContact C-O 3.52Å; G245-L423 VanDerWaalsContact CA-O 3.28Å; G245-L423 WeakPolarHBondContact CA-O 3.38Å
246	S	96.7	Very high	96.3	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.1	170.1	-166.3	0	0	0	0	108.7	H248 V422 L423	S246-H248 PolarHBondContact OG-NE2 2.9Å; S246-V422 CarbonylContact O-C 3.52Å; S246-V422 VanDerWaalsContact O-CA 3.3Å; S246-V422 WeakPolarHBondContact O-CA 3.47Å; S246-L423 PolarHBondContact N-O 3.39Å; S246-L423 PolarHBondContact O-N 2.91Å
247	V	97.3	Very high	96.3	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.3	177.5	-176.1	0	0	0	0	107.9	P249 L359 I361 F387 I415 T420 V422	V247-P249 WeakPolarHBondContact O-CD 3.42Å; V247-L359 HydrophobicContact CB-CB 4.3Å; V247-L359 HydrophobicContact CB-CD2 3.83Å; V247-L359 HydrophobicContact CB-CG 3.88Å; V247-L359 HydrophobicContact CG1-CD2 3.73Å; V247-L359 HydrophobicContact CG1-CG 4.35Å; V247-L359 HydrophobicContact CG2-CD2 4.48Å; V247-L359 HydrophobicContact CG2-CG 4.34Å; V247-L359 PolarHBondContact N-O 2.82Å; V247-I361 HydrophobicContact CG2-CG1 4.38Å; V247-I361 HydrophobicContact CG2-CG2 3.97Å; V247-F387 HydrophobicContact CG1-CE1 4.43Å; V247-F387 HydrophobicContact CG2-CE1 4.25Å; V247-I415 HydrophobicContact CG1-CD1 4.12Å; V247-I415 HydrophobicContact CG1-CG1 4.38Å; V247-I415 HydrophobicContact CG1-CG2 4.35Å; V247-T420 HydrophobicContact CG1-CG2 4.3Å; V247-V422 HydrophobicContact CG1-CG2 4.23Å; V247-V422 HydrophobicContact CG2-CG1 4.11Å; V247-V422 HydrophobicContact CG2-CG2 4.16Å
248	H	96	Very high	96.4	Very high	76 Å²	76	50.2 Å²	50.2	35%	0.352	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	94.8	177.3	-59.3	118.7	0	0	0	109.6	S246 T420 E421	S246-H248 PolarHBondContact OG-NE2 2.9Å; H248-T420 WeakPolarHBondContact O-CG2 3.44Å; H248-E421 HydrophobicContact CB-CB 4.49Å; H248-E421 IonicContact CE1-OE2 3.58Å; H248-E421 IonicContact CG-OE2 3.71Å; H248-E421 PolarHBondContact N-O 3.17Å; H248-E421 IonicContact ND1-OE2 2.79Å; H248-E421 PolarHBondContact ND1-OE2 3.47Å
249	P	96.1	Very high	96.5	Very high	42 Å²	42	44.8 Å²	44.8	27%	0.273	24%	0.237	S	C	.	.			trans	-53.2	145.1	178	-26.1	35.5	0	0	0	112.1	V247 A251 M253 L359 I414	V247-P249 WeakPolarHBondContact O-CD 3.42Å; P249-A251 VanDerWaalsContact C-N 3.27Å; P249-M253 HydrophobicContact CB-CG 4.26Å; P249-M253 HydrophobicContact CB-SD 4.2Å; P249-M253 HydrophobicContact CG-CG 3.94Å; P249-M253 HydrophobicContact CG-SD 3.9Å; P249-L359 HydrophobicContact CG-CD2 4.2Å; P249-I414 WeakPolarHBondContact CA-O 3.44Å; P249-I414 HydrophobicContact CB-CG2 3.94Å
250	T	93.4	Very high	96.5	Very high	96 Å²	96	43.6 Å²	43.6	59%	0.589	23%	0.233	S	C	*	.	S	Bend	trans	-83.5	-6	179.9	47.7	0	0	0	0	113.4	N413 I414 T420	T250-N413 PolarHBondContact OG1-O 3.4Å; T250-I414 PolarHBondContact N-O 3.5Å; T250-I414 VanDerWaalsContact N-O 3.08Å; T250-I414 PolarHBondContact OG1-O 3.08Å; T250-T420 HydrophobicContact CG2-CG2 4.38Å
251	A	94.4	Very high	96.7	Very high	41 Å²	41	42.3 Å²	42.3	34%	0.339	22%	0.224	S	C	.	.	S	Bend	trans	-146.5	164.4	-178.4	0	0	0	0	0	110.6	P249 I414	P249-A251 VanDerWaalsContact C-N 3.27Å; A251-I414 HydrophobicContact CB-CD1 3.76Å
252	D	93.4	Very high	96.8	Very high	119 Å²	119	37.3 Å²	37.3	64%	0.636	20%	0.202	S	C	*	.			trans	-60.9	139.4	-173.5	-60.8	-15.9	0	0	0	112.4	T254	D252-T254 PolarHBondContact O-N 3.05Å
253	M	96.1	Very high	97	Very high	4 Å²	4	31 Å²	31	2%	0.02	17%	0.174	C	C	.	.			trans	-89.7	23.6	178.3	-68	-73.2	-67.1	0	0	113	P249 L255 Y278 I287 P354 D355 M389 I414	P249-M253 HydrophobicContact CB-CG 4.26Å; P249-M253 HydrophobicContact CB-SD 4.2Å; P249-M253 HydrophobicContact CG-CG 3.94Å; P249-M253 HydrophobicContact CG-SD 3.9Å; M253-L255 HydrophobicContact CE-CD1 4.13Å; M253-L255 PolarHBondContact O-N 3.39Å; M253-L255 HydrophobicContact SD-CD1 4.33Å; M253-Y278 HydrophobicContact CB-CE1 4.36Å; M253-Y278 HydrophobicContact CB-CE2 4.12Å; M253-Y278 WeakPolarHBondContact CB-OH 3.18Å; M253-Y278 HydrophobicContact CE-CD1 3.97Å; M253-Y278 HydrophobicContact CE-CD2 3.8Å; M253-Y278 HydrophobicContact CE-CE1 4.13Å; M253-Y278 HydrophobicContact CE-CE2 3.94Å; M253-Y278 HydrophobicContact CE-CG 3.81Å; M253-Y278 HydrophobicContact CG-CE2 4.12Å; M253-I287 HydrophobicContact CE-CD1 4.37Å; M253-P354 CarbonylContact O-C 3.26Å; M253-D355 HydrophobicContact CB-CB 4.45Å; M253-D355 WeakPolarHBondContact CB-OD1 3.44Å; M253-D355 PolarHBondContact N-OD1 3.13Å; M253-M389 HydrophobicContact CE-CE 4Å; M253-M389 HydrophobicContact CE-SD 4.19Å; M253-M389 HydrophobicContact SD-SD 4.49Å; M253-I414 HydrophobicContact SD-CG2 3.43Å; M253-I414 WeakPolarHBondContact SD-CG2 2.91Å
254	T	97.5	Very high	97	Very high	77 Å²	77	30.7 Å²	30.7	47%	0.472	17%	0.172	S	C	.	.			trans	-81	96.4	170.5	-62	0	0	0	0	109	D252 T352 I353 D355	D252-T254 PolarHBondContact O-N 3.05Å; T254-T352 HydrophobicContact CG2-CG2 3.83Å; T254-I353 CarbonylContact C-O 3.45Å; T254-I353 VanDerWaalsContact CA-O 3.27Å; T254-I353 WeakPolarHBondContact CA-O 3.46Å; T254-D355 VanDerWaalsContact OG1-CB 3.26Å; T254-D355 WeakPolarHBondContact OG1-CB 3.06Å
255	L	97.9	Very high	96.9	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-118	129.2	-167.8	-52	172.9	0	0	0	112.5	M253 F258 I287 I353 M389 D391 I414	M253-L255 HydrophobicContact CE-CD1 4.13Å; M253-L255 PolarHBondContact O-N 3.39Å; M253-L255 HydrophobicContact SD-CD1 4.33Å; L255-F258 HydrophobicContact CD1-CB 4.12Å; L255-I287 HydrophobicContact CD1-CD1 4.39Å; L255-I353 HydrophobicContact CB-CB 4.11Å; L255-I353 HydrophobicContact CB-CD1 4.4Å; L255-I353 PolarHBondContact N-O 3.44Å; L255-I353 PolarHBondContact O-N 3Å; L255-M389 HydrophobicContact CD1-CE 3.4Å; L255-M389 VanDerWaalsContact CD1-CE 3.4Å; L255-D391 HydrophobicContact CD2-CB 3.74Å; L255-I414 HydrophobicContact CD2-CD1 4.34Å
256	H	97.9	Very high	96.9	Very high	106 Å²	106	31.4 Å²	31.4	49%	0.491	18%	0.175	S	C	.	.	S	Bend	trans	-94.3	-17.5	166.6	-64.2	-63.1	0	0	0	112.7	S327 T352	H256-S327 WeakPolarHBondContact O-CB 3.24Å; H256-S327 PolarHBondContact O-N 3.39Å; H256-S327 PolarHBondContact O-OG 2.86Å; H256-T352 PolarHBondContact CE1-OG1 3.11Å; H256-T352 PolarHBondContact ND1-OG1 3.04Å
257	S	98.3	Very high	96.9	Very high	24 Å²	24	35.8 Å²	35.8	17%	0.168	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.2	173.4	50.7	0	0	0	0	109.2	W325 D391	S257-W325 CarbonylContact C-O 3.5Å; S257-W325 WeakPolarHBondContact CA-O 3.24Å; S257-W325 WeakPolarHBondContact CB-O 3.39Å; S257-D391 CarbonylContact C-O 3.6Å; S257-D391 CarbonylContact O-C 3.57Å; S257-D391 PolarHBondContact OG-O 2.92Å
258	F	98.7	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164	169.2	69.6	-96.1	0	0	0	112.3	L255 A260 I287 L298 V300 T324 W325 I353 M389 W390 R392	L255-F258 HydrophobicContact CD1-CB 4.12Å; F258-A260 HydrophobicContact CD2-CB 4.27Å; F258-A260 HydrophobicContact CE2-CB 4.39Å; F258-I287 HydrophobicContact CD1-CD1 4.02Å; F258-I287 HydrophobicContact CE1-CD1 3.87Å; F258-I287 HydrophobicContact CE1-CG1 4.03Å; F258-I287 HydrophobicContact CE1-CG2 4.17Å; F258-I287 HydrophobicContact CE2-CG2 4.07Å; F258-I287 HydrophobicContact CZ-CD1 4.26Å; F258-I287 HydrophobicContact CZ-CG1 4.33Å; F258-I287 HydrophobicContact CZ-CG2 3.6Å; F258-L298 HydrophobicContact CE2-CD1 4.49Å; F258-L298 HydrophobicContact CZ-CD1 4.32Å; F258-V300 HydrophobicContact CE1-CG1 4.36Å; F258-V300 HydrophobicContact CE1-CG2 4.06Å; F258-V300 HydrophobicContact CZ-CG2 3.87Å; F258-T324 VanDerWaalsContact O-CA 3.25Å; F258-T324 WeakPolarHBondContact O-CA 3.35Å; F258-W325 HydrophobicContact CD1-CB 4.1Å; F258-W325 AromaticContact CD1-CE3 3.77Å; F258-W325 HydrophobicContact CD1-CE3 3.77Å; F258-W325 HydrophobicContact CE1-CB 3.57Å; F258-W325 HydrophobicContact CE1-CD2 4.18Å; F258-W325 AromaticContact CE1-CE3 3.85Å; F258-W325 HydrophobicContact CE1-CE3 3.85Å; F258-W325 HydrophobicContact CE1-CG 4.12Å; F258-W325 HydrophobicContact CZ-CB 3.8Å; F258-W325 PolarHBondContact N-O 3.42Å; F258-W325 PolarHBondContact O-N 3.46Å; F258-I353 HydrophobicContact CD1-CD1 3.71Å; F258-I353 HydrophobicContact CE1-CD1 3.69Å; F258-M389 HydrophobicContact CB-CE 3.7Å; F258-M389 HydrophobicContact CD1-CE 4.48Å; F258-M389 HydrophobicContact CD2-CE 4.02Å; F258-M389 HydrophobicContact CG-CE 3.83Å; F258-W390 CarbonylContact C-O 3.59Å; F258-W390 WeakPolarHBondContact CA-O 3.46Å; F258-W390 VanDerWaalsContact CB-O 3.26Å; F258-W390 WeakPolarHBondContact CB-O 3.31Å; F258-R392 CarbonylContact C-O 3.55Å; F258-R392 VanDerWaalsContact C-O 3.31Å
259	T	98.8	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.3	161.5	-55.7	0	0	0	0	108.1	G323 T324 M389 W390 R392 V393 L394	T259-G323 CarbonylContact C-O 3.48Å; T259-G323 WeakPolarHBondContact CA-O 3.23Å; T259-T324 HydrophobicContact CG2-CG2 3.79Å; T259-T324 WeakPolarHBondContact OG1-CG2 3.39Å; T259-M389 CarbonylContact O-C 3.54Å; T259-M389 VanDerWaalsContact O-CA 3.23Å; T259-M389 WeakPolarHBondContact O-CA 3.26Å; T259-M389 WeakPolarHBondContact O-CG 3.47Å; T259-W390 HydrophobicContact CG2-CE3 4.11Å; T259-W390 HydrophobicContact CG2-CZ3 4.44Å; T259-W390 PolarHBondContact N-O 2.74Å; T259-W390 PolarHBondContact O-N 2.83Å; T259-R392 WeakPolarHBondContact CB-O 3.39Å; T259-R392 PolarHBondContact N-O 3.19Å; T259-R392 VanDerWaalsContact N-O 3.12Å; T259-R392 PolarHBondContact OG1-O 3.28Å; T259-V393 WeakPolarHBondContact OG1-CA 3.5Å; T259-L394 HydrophobicContact CG2-CB 4.13Å; T259-L394 HydrophobicContact CG2-CD1 3.8Å; T259-L394 HydrophobicContact CG2-CG 3.77Å; T259-L394 PolarHBondContact OG1-N 2.94Å
260	A	98.6	Very high	96.6	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123	174.3	0	0	0	0	0	109.3	F258 F276 C322 G323 F387 N388 M389	F258-A260 HydrophobicContact CD2-CB 4.27Å; F258-A260 HydrophobicContact CE2-CB 4.39Å; A260-F276 HydrophobicContact CB-CE1 4.21Å; A260-F276 HydrophobicContact CB-CZ 3.85Å; A260-C322 CarbonylContact O-C 3.53Å; A260-C322 VanDerWaalsContact O-CA 3.23Å; A260-C322 WeakPolarHBondContact O-CA 3.36Å; A260-G323 PolarHBondContact N-O 3.27Å; A260-G323 PolarHBondContact O-N 3.05Å; A260-F387 HydrophobicContact CB-CE2 4.49Å; A260-N388 CarbonylContact C-O 3.51Å; A260-N388 WeakPolarHBondContact CA-O 3.41Å; A260-M389 HydrophobicContact CB-CG 4.22Å
261	C	98.3	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	-178.5	-68.8	0	0	0	0	110.2	L321 C322 F387 N388 W390 Q402	C261-L321 CarbonylContact C-O 3.47Å; C261-L321 WeakPolarHBondContact CA-O 3.25Å; C261-C322 HydrophobicContact CB-CB 4.18Å; C261-C322 WeakPolarHBondContact CB-SG 3.41Å; C261-C322 WeakPolarHBondContact SG-CB 3.49Å; C261-C322 CovalentContact SG-SG 2.04Å; C261-C322 PolarHBondContact SG-SG 2.98Å; C261-F387 WeakPolarHBondContact O-CA 3.47Å; C261-N388 PolarHBondContact N-O 3.29Å; C261-N388 PolarHBondContact O-N 3.02Å; C261-W390 HydrophobicContact CB-CZ3 4.22Å; C261-Q402 HydrophobicContact CB-CB 4.35Å; C261-Q402 HydrophobicContact CB-CG 4.44Å
262	I	98	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.2	-179.3	-166.9	168.4	0	0	0	111.7	I264 V275 L289 L321 L384 F387	I262-I264 HydrophobicContact CD1-CG2 4.12Å; I262-I264 HydrophobicContact CG1-CG2 4Å; I262-I264 HydrophobicContact CG2-CG2 4.2Å; I262-V275 HydrophobicContact CD1-CG1 3.83Å; I262-V275 HydrophobicContact CG2-CG1 4.23Å; I262-L289 HydrophobicContact CG2-CD2 3.79Å; I262-L321 PolarHBondContact N-O 2.96Å; I262-L321 PolarHBondContact O-N 3.2Å; I262-L384 HydrophobicContact CD1-CB 4.15Å; I262-L384 HydrophobicContact CD1-CD1 4.34Å; I262-L384 HydrophobicContact CD1-CD2 4.31Å; I262-L384 HydrophobicContact CG1-CB 4.48Å; I262-F387 HydrophobicContact CB-CD2 4.04Å; I262-F387 HydrophobicContact CD1-CB 3.95Å; I262-F387 HydrophobicContact CD1-CD2 3.98Å; I262-F387 HydrophobicContact CD1-CG 4.03Å; I262-F387 HydrophobicContact CG1-CB 4.03Å; I262-F387 HydrophobicContact CG1-CD2 4.25Å; I262-F387 HydrophobicContact CG1-CG 4.44Å
263	W	97.1	Very high	97	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.114	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.1	165.9	-76.3	90.9	0	0	0	110.1	P227 A228 W318 I319 H320 L384 T385 Q402 S403	P227-W263 HydrophobicContact CB-CD2 3.63Å; P227-W263 HydrophobicContact CB-CE3 3.55Å; P227-W263 HydrophobicContact CB-CG 4.22Å; P227-W263 HydrophobicContact CB-CH2 4.04Å; P227-W263 HydrophobicContact CB-CZ2 4.12Å; P227-W263 HydrophobicContact CB-CZ3 3.77Å; P227-W263 HydrophobicContact CG-CB 3.83Å; P227-W263 HydrophobicContact CG-CD2 3.58Å; P227-W263 HydrophobicContact CG-CE3 3.63Å; P227-W263 HydrophobicContact CG-CG 3.7Å; P227-W263 HydrophobicContact CG-CZ3 4.35Å; A228-W263 HydrophobicContact CB-CZ2 4.1Å; W263-W318 HydrophobicContact CB-CE3 4.12Å; W263-W318 HydrophobicContact CB-CZ3 4.15Å; W263-W318 HydrophobicContact CE3-CB 4.16Å; W263-W318 HydrophobicContact CZ3-CB 4.23Å; W263-I319 WeakPolarHBondContact CA-O 3.49Å; W263-H320 AromaticContact CD1-CD2 3.5Å; W263-H320 HydrophobicContact CD2-CB 3.72Å; W263-H320 AromaticContact CE2-CD2 3.69Å; W263-H320 AromaticContact CE2-CG 3.8Å; W263-H320 HydrophobicContact CE3-CB 3.82Å; W263-H320 HydrophobicContact CG-CB 4.43Å; W263-H320 AromaticContact CG-CD2 3.94Å; W263-H320 HydrophobicContact CH2-CB 3.81Å; W263-H320 HydrophobicContact CZ2-CB 3.68Å; W263-H320 HydrophobicContact CZ3-CB 3.87Å; W263-H320 AromaticContact NE1-CD2 3.3Å; W263-H320 PolarHBondContact NE1-CD2 2.83Å; W263-H320 VanDerWaalsContact NE1-CD2 3.3Å; W263-H320 AromaticContact NE1-CG 3.86Å; W263-L384 CarbonylContact O-C 3.46Å; W263-L384 WeakPolarHBondContact O-CA 3.4Å; W263-T385 HydrophobicContact CB-CG2 3.7Å; W263-T385 WeakPolarHBondContact CB-O 3.44Å; W263-T385 HydrophobicContact CG-CG2 4.44Å; W263-T385 PolarHBondContact N-O 3.03Å; W263-T385 PolarHBondContact O-N 3.22Å; W263-Q402 PolarHBondContact NE1-O 3.04Å; W263-S403 WeakPolarHBondContact CZ2-O 3.39Å
264	I	97.4	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.8	176.8	63.9	177.7	0	0	0	111.6	I262 V275 L291 W318 I319 L321 F380 K383 L384	I262-I264 HydrophobicContact CD1-CG2 4.12Å; I262-I264 HydrophobicContact CG1-CG2 4Å; I262-I264 HydrophobicContact CG2-CG2 4.2Å; I264-V275 HydrophobicContact CD1-CG2 3.9Å; I264-V275 HydrophobicContact CG2-CG1 3.74Å; I264-L291 HydrophobicContact CD1-CD1 3.93Å; I264-L291 HydrophobicContact CD1-CD2 3.91Å; I264-L291 HydrophobicContact CD1-CG 4.39Å; I264-W318 CarbonylContact O-C 3.58Å; I264-W318 WeakPolarHBondContact O-CA 3.33Å; I264-I319 HydrophobicContact CD1-CG2 4.14Å; I264-I319 HydrophobicContact CG1-CG2 3.52Å; I264-I319 PolarHBondContact N-O 3.08Å; I264-I319 PolarHBondContact O-N 2.86Å; I264-L321 HydrophobicContact CD1-CD1 3.82Å; I264-F380 HydrophobicContact CB-CE2 4.45Å; I264-F380 HydrophobicContact CB-CZ 4.33Å; I264-K383 CarbonylContact C-O 3.5Å; I264-K383 WeakPolarHBondContact CA-O 3.14Å; I264-L384 HydrophobicContact CG2-CB 4.01Å
265	K	96.3	Very high	97.1	Very high	30 Å²	30	29 Å²	29	13%	0.13	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	90.1	168.4	-176.1	179.2	-165.8	176	0	107.8	A222 G316 W318 G382 K383	A222-K265 PolarHBondContact O-NZ 2.8Å; K265-G316 WeakPolarHBondContact CE-O 3.11Å; K265-W318 HydrophobicContact CB-CD2 3.55Å; K265-W318 HydrophobicContact CB-CE3 3.6Å; K265-W318 HydrophobicContact CB-CG 4.12Å; K265-W318 HydrophobicContact CB-CH2 4.1Å; K265-W318 HydrophobicContact CB-CZ2 4.06Å; K265-W318 HydrophobicContact CB-CZ3 3.88Å; K265-W318 HydrophobicContact CD-CD2 4.22Å; K265-W318 HydrophobicContact CD-CG 4.32Å; K265-W318 HydrophobicContact CD-CZ2 4.32Å; K265-W318 HydrophobicContact CG-CD2 4.37Å; K265-G382 CarbonylContact O-C 3.56Å; K265-G382 WeakPolarHBondContact O-CA 3.24Å; K265-K383 HydrophobicContact CB-CB 4.4Å; K265-K383 PolarHBondContact N-O 2.91Å; K265-K383 PolarHBondContact O-N 3.23Å
266	V	97.1	Very high	97.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.5	-176.6	67.5	0	0	0	0	110.8	E268 V269 L291 I313 P315 G316 F380 S381	V266-E268 VanDerWaalsContact CG2-O 3.31Å; V266-E268 WeakPolarHBondContact CG2-O 3.15Å; V266-V269 HydrophobicContact CB-CG2 4.2Å; V266-V269 HydrophobicContact CG1-CG2 3.52Å; V266-V269 HydrophobicContact CG2-CG2 3.62Å; V266-L291 HydrophobicContact CB-CD1 4.07Å; V266-L291 HydrophobicContact CG1-CD1 4.06Å; V266-L291 HydrophobicContact CG2-CD1 4.08Å; V266-I313 HydrophobicContact CG1-CG2 3.82Å; V266-P315 CarbonylContact O-C 3.52Å; V266-P315 WeakPolarHBondContact O-CA 3.31Å; V266-G316 PolarHBondContact O-N 3.4Å; V266-F380 HydrophobicContact CB-CE2 4Å; V266-F380 HydrophobicContact CG2-CD2 4.32Å; V266-F380 HydrophobicContact CG2-CE2 3.95Å; V266-S381 WeakPolarHBondContact CG2-O 3.18Å
267	T	96.2	Very high	97.1	Very high	97 Å²	97	23.9 Å²	23.9	60%	0.595	13%	0.129	S	C	*	.	S	Bend	trans	-86.8	-42.4	175.8	-57.5	0	0	0	0	110.9	S381 G382	T267-S381 PolarHBondContact N-O 3.5Å; T267-G382 WeakPolarHBondContact OG1-CA 3.4Å
268	E	94.3	Very high	97.1	Very high	110 Å²	110	22.9 Å²	22.9	51%	0.514	12%	0.121	S	C	.	.			trans	-142.8	134.1	-177	-172.5	-173.7	172.3	0	0	110.5	R239 V266	R239-E268 PolarHBondContact NH1-O 2.96Å; V266-E268 VanDerWaalsContact CG2-O 3.31Å; V266-E268 WeakPolarHBondContact CG2-O 3.15Å
269	V	94.4	Very high	97	Very high	30 Å²	30	22.9 Å²	22.9	18%	0.182	12%	0.121	C	C	.	.			trans	-120.2	125.9	178.6	-170.2	0	0	0	0	109.6	V266 L291 R293 I313 P315	V266-V269 HydrophobicContact CB-CG2 4.2Å; V266-V269 HydrophobicContact CG1-CG2 3.52Å; V266-V269 HydrophobicContact CG2-CG2 3.62Å; V269-L291 HydrophobicContact CG1-CB 3.75Å; V269-L291 HydrophobicContact CG2-CD1 4.13Å; V269-R293 WeakPolarHBondContact CG1-O 3.11Å; V269-I313 HydrophobicContact CG2-CG2 3.83Å; V269-P315 HydrophobicContact CG2-CG 4.41Å
270	S	93.9	Very high	96.7	Very high	43 Å²	43	23.4 Å²	23.4	30%	0.301	12%	0.124	S	C	.	.			trans	-97.2	-167.8	173.1	-169.9	0	0	0	0	111.4	K272 T273 R293	S270-K272 PolarHBondContact O-N 3.35Å; S270-T273 PolarHBondContact N-OG1 3.23Å; S270-R293 PolarHBondContact O-N 2.93Å; S270-R293 VanDerWaalsContact O-N 3.12Å
271	D	95.4	Very high	96.3	Very high	93 Å²	93	32.2 Å²	32.2	50%	0.497	16%	0.162	S	C	.	.	S	Bend	trans	-58.6	-34.5	174.8	-74	-8.8	0	0	0	112.2	S292 R293	D271-S292 WeakPolarHBondContact O-CA 3.45Å; D271-S292 VanDerWaalsContact O-CB 3.29Å; D271-S292 WeakPolarHBondContact O-CB 3.24Å; D271-S292 PolarHBondContact O-OG 2.92Å; D271-R293 IonicContact OD1-CZ 2.96Å; D271-R293 IonicContact OD1-NE 3.92Å; D271-R293 IonicContact OD1-NH1 2.74Å; D271-R293 PolarHBondContact OD1-NH1 3.35Å; D271-R293 IonicContact OD1-NH2 2.83Å; D271-R293 PolarHBondContact OD1-NH2 2.95Å; D271-R293 IonicContact OD2-NH2 3.64Å
272	K	96.9	Very high	96	Very high	40 Å²	40	38.4 Å²	38.4	17%	0.174	20%	0.2	C	C	.	.	S	Bend	trans	-141.5	128.3	168.6	-174	175.6	-176.2	-172.2	0	108.8	R239 S270 Y290 L291 E364 L378	R239-K272 PolarHBondContact NH2-O 3.07Å; S270-K272 PolarHBondContact O-N 3.35Å; K272-Y290 HydrophobicContact CD-CD2 4.33Å; K272-Y290 HydrophobicContact CD-CE2 4.37Å; K272-Y290 HydrophobicContact CG-CD2 3.69Å; K272-Y290 HydrophobicContact CG-CE2 4.05Å; K272-Y290 HydrophobicContact CG-CG 4.16Å; K272-L291 CarbonylContact C-O 3.5Å; K272-L291 WeakPolarHBondContact CA-O 3.48Å; K272-E364 IonicContact NZ-OE1 2.66Å; K272-E364 PolarHBondContact NZ-OE1 3.18Å; K272-L378 HydrophobicContact CB-CD2 3.71Å; K272-L378 HydrophobicContact CD-CD2 3.89Å; K272-L378 HydrophobicContact CG-CD2 3.89Å
273	T	98.1	Very high	95.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	110.1	177.8	-59.3	0	0	0	0	108.7	R239 S270 V275 Y290 L291 L378 F380	R239-T273 PolarHBondContact NH1-OG1 2.81Å; R239-T273 PolarHBondContact NH2-OG1 3.05Å; S270-T273 PolarHBondContact N-OG1 3.23Å; T273-V275 PolarHBondContact O-N 3.09Å; T273-Y290 CarbonylContact O-C 3.49Å; T273-Y290 VanDerWaalsContact O-CA 3.29Å; T273-Y290 WeakPolarHBondContact O-CA 3.44Å; T273-Y290 WeakPolarHBondContact O-CB 3.35Å; T273-L291 PolarHBondContact N-O 3.45Å; T273-L291 PolarHBondContact O-N 2.99Å; T273-L378 WeakPolarHBondContact CA-O 3.32Å; T273-F380 HydrophobicContact CG2-CB 4.4Å; T273-F380 HydrophobicContact CG2-CD2 4.17Å
274	V	98	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.2	-170.8	179.6	0	0	0	0	110.8	G362 Q363 E364 L378 F380	V274-G362 CarbonylContact O-C 3.52Å; V274-G362 WeakPolarHBondContact O-CA 3.29Å; V274-Q363 VanDerWaalsContact CG1-O 3.32Å; V274-Q363 WeakPolarHBondContact CG1-O 3.3Å; V274-E364 HydrophobicContact CG2-CB 4.02Å; V274-L378 HydrophobicContact CG2-CB 4.35Å; V274-L378 PolarHBondContact N-O 3.49Å; V274-F380 WeakPolarHBondContact O-CB 3.35Å
275	V	98.4	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-55.4	175.4	178.4	0	0	0	0	109.3	I262 I264 T273 L289 L291 I361 G362 F380	I262-V275 HydrophobicContact CD1-CG1 3.83Å; I262-V275 HydrophobicContact CG2-CG1 4.23Å; I264-V275 HydrophobicContact CD1-CG2 3.9Å; I264-V275 HydrophobicContact CG2-CG1 3.74Å; T273-V275 PolarHBondContact O-N 3.09Å; V275-L289 WeakPolarHBondContact CB-O 3.22Å; V275-L289 PolarHBondContact N-O 2.9Å; V275-L291 HydrophobicContact CG2-CD1 4.39Å; V275-L291 HydrophobicContact CG2-CD2 4.01Å; V275-L291 HydrophobicContact CG2-CG 3.89Å; V275-I361 CarbonylContact O-C 3.52Å; V275-I361 WeakPolarHBondContact O-CA 3.05Å; V275-G362 PolarHBondContact O-N 3.28Å; V275-F380 HydrophobicContact CG2-CD2 4.49Å
276	F	98.3	Very high	95.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.7	169.3	76.5	-100.3	0	0	0	110.7	A260 I287 L289 L359 Q360 I361 F387	A260-F276 HydrophobicContact CB-CE1 4.21Å; A260-F276 HydrophobicContact CB-CZ 3.85Å; F276-I287 HydrophobicContact CE2-CB 4.47Å; F276-I287 HydrophobicContact CE2-CG2 3.75Å; F276-I287 HydrophobicContact CZ-CG2 4.21Å; F276-L289 HydrophobicContact CD1-CB 3.65Å; F276-L289 HydrophobicContact CD1-CD2 4.15Å; F276-L289 HydrophobicContact CE1-CB 3.28Å; F276-L289 HydrophobicContact CE1-CD2 3.72Å; F276-L289 HydrophobicContact CE1-CG 4.14Å; F276-L289 HydrophobicContact CE2-CB 4.5Å; F276-L289 HydrophobicContact CG-CB 4.4Å; F276-L289 HydrophobicContact CZ-CB 3.75Å; F276-L289 PolarHBondContact N-O 3.08Å; F276-L289 PolarHBondContact O-N 2.82Å; F276-L289 VanDerWaalsContact O-N 3.12Å; F276-L359 HydrophobicContact CD2-CD1 3.94Å; F276-Q360 CarbonylContact C-O 3.56Å; F276-Q360 VanDerWaalsContact CA-O 3.27Å; F276-Q360 WeakPolarHBondContact CA-O 3.16Å; F276-I361 HydrophobicContact CB-CG2 3.91Å; F276-F387 HydrophobicContact CB-CZ 4.37Å; F276-F387 AromaticContact CD1-CE2 3.88Å; F276-F387 HydrophobicContact CD1-CE2 3.88Å; F276-F387 HydrophobicContact CD1-CZ 4.09Å; F276-F387 HydrophobicContact CD2-CZ 4.27Å; F276-F387 AromaticContact CE1-CE2 3.99Å; F276-F387 HydrophobicContact CE1-CE2 3.99Å; F276-F387 HydrophobicContact CE1-CZ 4.44Å; F276-F387 HydrophobicContact CG-CE2 4.27Å; F276-F387 HydrophobicContact CG-CZ 4.01Å
277	S	97.5	Very high	95.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.9	172.3	62.6	0	0	0	0	111.8	I287 Q360 Q363 E364 K365	S277-I287 CarbonylContact C-O 3.59Å; S277-I287 WeakPolarHBondContact CA-O 3.07Å; S277-Q360 PolarHBondContact N-O 2.97Å; S277-Q360 PolarHBondContact O-N 2.88Å; S277-Q363 PolarHBondContact OG-O 3.29Å; S277-E364 WeakPolarHBondContact OG-CA 3.29Å; S277-K365 PolarHBondContact OG-N 2.94Å
278	Y	97.6	Very high	95.4	Very high	3 Å²	3	37 Å²	37	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.2	169.3	177.1	-111.2	0	0	0	109.3	M253 E286 I287 I353 P354 D355 G357 I358 L359	M253-Y278 HydrophobicContact CB-CE1 4.36Å; M253-Y278 HydrophobicContact CB-CE2 4.12Å; M253-Y278 WeakPolarHBondContact CB-OH 3.18Å; M253-Y278 HydrophobicContact CE-CD1 3.97Å; M253-Y278 HydrophobicContact CE-CD2 3.8Å; M253-Y278 HydrophobicContact CE-CE1 4.13Å; M253-Y278 HydrophobicContact CE-CE2 3.94Å; M253-Y278 HydrophobicContact CE-CG 3.81Å; M253-Y278 HydrophobicContact CG-CE2 4.12Å; Y278-E286 HydrophobicContact CD1-CB 3.63Å; Y278-E286 HydrophobicContact CD1-CG 4.38Å; Y278-E286 HydrophobicContact CE1-CB 4Å; Y278-E286 HydrophobicContact CE1-CG 4.33Å; Y278-E286 PolarHBondContact O-N 3.05Å; Y278-I287 HydrophobicContact CD1-CD1 4.19Å; Y278-I287 HydrophobicContact CD1-CG1 4.18Å; Y278-I287 PolarHBondContact N-O 3.42Å; Y278-I287 PolarHBondContact O-N 3.49Å; Y278-I353 HydrophobicContact CD1-CG2 4.03Å; Y278-I353 HydrophobicContact CE1-CG2 3.63Å; Y278-P354 WeakPolarHBondContact CE1-O 3.41Å; Y278-P354 PolarHBondContact OH-O 3.42Å; Y278-D355 WeakPolarHBondContact OH-CA 3.45Å; Y278-G357 WeakPolarHBondContact OH-CA 3.38Å; Y278-G357 PolarHBondContact OH-N 2.76Å; Y278-G357 VanDerWaalsContact OH-N 3.14Å; Y278-I358 WeakPolarHBondContact CA-O 3.33Å; Y278-L359 HydrophobicContact CD2-CB 3.96Å
279	G	95.8	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	166.9	166.1	0	0	0	0	0	113.2	N283 G357 I358 K365	G279-N283 CarbonylContact C-O 3.49Å; G279-N283 VanDerWaalsContact CA-O 3.31Å; G279-N283 WeakPolarHBondContact CA-O 3.24Å; G279-G357 CarbonylContact O-C 3.59Å; G279-G357 WeakPolarHBondContact O-CA 3.46Å; G279-I358 PolarHBondContact N-O 3.22Å; G279-I358 PolarHBondContact O-N 3Å; G279-K365 VanDerWaalsContact CA-CD 3.43Å
280	T	94.3	Very high	95.8	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	16%	0.161	C	C	.	.			trans	-98	-175.9	179.4	60.4	0	0	0	0	111.5	T282 N283 E286 P354 K365	T280-T282 VanDerWaalsContact C-N 3.26Å; T280-T282 PolarHBondContact OG1-N 2.91Å; T280-T282 PolarHBondContact OG1-OG1 2.83Å; T280-N283 PolarHBondContact N-O 3.16Å; T280-N283 PolarHBondContact OG1-N 2.97Å; T280-N283 VanDerWaalsContact OG1-N 3.1Å; T280-N283 PolarHBondContact OG1-O 3.39Å; T280-E286 HydrophobicContact CG2-CG 4.35Å; T280-P354 HydrophobicContact CG2-CB 4.35Å; T280-P354 HydrophobicContact CG2-CG 3.69Å; T280-K365 WeakPolarHBondContact O-CE 3.48Å; T280-K365 PolarHBondContact O-NZ 3.25Å
281	K	90.2	Very high	96	Very high	188 Å²	188	29.5 Å²	29.5	82%	0.817	15%	0.147	S	C	*	.	S	Bend	trans	-65.8	-31.2	170.4	-68.4	-178.9	-178.6	174.8	0	112.2
282	T	90	Very high	96.1	Very high	129 Å²	129	26.8 Å²	26.8	79%	0.791	14%	0.136	S	C	*	.	S	Bend	trans	-88	-35.2	-176.8	53.1	0	0	0	0	112.3	T280	T280-T282 VanDerWaalsContact C-N 3.26Å; T280-T282 PolarHBondContact OG1-N 2.91Å; T280-T282 PolarHBondContact OG1-OG1 2.83Å
283	N	92.3	Very high	96	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.123	16%	0.156	C	C	.	.			trans	-133.2	113.4	179.4	-174.7	12.1	0	0	0	111.8	G279 T280 Y285 E286 G301 R351	G279-N283 CarbonylContact C-O 3.49Å; G279-N283 VanDerWaalsContact CA-O 3.31Å; G279-N283 WeakPolarHBondContact CA-O 3.24Å; T280-N283 PolarHBondContact N-O 3.16Å; T280-N283 PolarHBondContact OG1-N 2.97Å; T280-N283 VanDerWaalsContact OG1-N 3.1Å; T280-N283 PolarHBondContact OG1-O 3.39Å; N283-Y285 PolarHBondContact O-N 3.01Å; N283-Y285 PolarHBondContact OD1-N 2.92Å; N283-E286 HydrophobicContact CB-CG 4.17Å; N283-E286 VanDerWaalsContact CB-OE1 3.29Å; N283-E286 WeakPolarHBondContact CB-OE1 3.36Å; N283-E286 VanDerWaalsContact ND2-CD 3.33Å; N283-E286 PolarHBondContact ND2-OE1 2.98Å; N283-E286 PolarHBondContact ND2-OE2 2.86Å; N283-G301 PolarHBondContact ND2-O 2.86Å; N283-R351 PolarHBondContact ND2-NH2 3.33Å
284	P	91	Very high	96	Very high	34 Å²	34	37.9 Å²	37.9	22%	0.221	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.6	175.8	22.7	-26.1	0	0	0	115.1	K365	P284-K365 VanDerWaalsContact CA-CE 3.47Å; P284-K365 HydrophobicContact CB-CD 4.03Å; P284-K365 VanDerWaalsContact CB-CE 3.49Å; P284-K365 WeakPolarHBondContact CB-O 3.38Å
285	Y	94	Very high	96	Very high	71 Å²	71	38.7 Å²	38.7	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	35.7	-169.9	-51.5	-69.4	0	0	0	112.4	N283 G301 S302 I303 E364	N283-Y285 PolarHBondContact O-N 3.01Å; N283-Y285 PolarHBondContact OD1-N 2.92Å; Y285-G301 CarbonylContact O-C 3.58Å; Y285-G301 VanDerWaalsContact O-C 3.26Å; Y285-G301 VanDerWaalsContact O-CA 3.29Å; Y285-G301 WeakPolarHBondContact O-CA 3.42Å; Y285-G301 PolarHBondContact O-N 3.21Å; Y285-S302 PolarHBondContact O-N 3.03Å; Y285-I303 HydrophobicContact CD1-CG2 3.7Å; Y285-I303 HydrophobicContact CD2-CG2 4.01Å; Y285-I303 HydrophobicContact CE1-CG2 3.73Å; Y285-I303 HydrophobicContact CE2-CG2 4.01Å; Y285-I303 HydrophobicContact CG-CG2 3.86Å; Y285-E364 WeakPolarHBondContact CE1-OE1 3.34Å
286	E	96.9	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-64.9	-49.4	-178.8	-65.4	-66.8	-176.9	0	0	111.3	Y278 T280 N283 V300 G301 R351 I353 P354	Y278-E286 HydrophobicContact CD1-CB 3.63Å; Y278-E286 HydrophobicContact CD1-CG 4.38Å; Y278-E286 HydrophobicContact CE1-CB 4Å; Y278-E286 HydrophobicContact CE1-CG 4.33Å; Y278-E286 PolarHBondContact O-N 3.05Å; T280-E286 HydrophobicContact CG2-CG 4.35Å; N283-E286 HydrophobicContact CB-CG 4.17Å; N283-E286 VanDerWaalsContact CB-OE1 3.29Å; N283-E286 WeakPolarHBondContact CB-OE1 3.36Å; N283-E286 VanDerWaalsContact ND2-CD 3.33Å; N283-E286 PolarHBondContact ND2-OE1 2.98Å; N283-E286 PolarHBondContact ND2-OE2 2.86Å; E286-V300 CarbonylContact O-C 3.5Å; E286-V300 WeakPolarHBondContact O-CA 3.42Å; E286-G301 PolarHBondContact O-N 2.99Å; E286-R351 VanDerWaalsContact CD-NH2 3.32Å; E286-R351 IonicContact OE1-NH2 2.88Å; E286-R351 PolarHBondContact OE1-NH2 2.82Å; E286-R351 IonicContact OE2-CZ 3.48Å; E286-R351 IonicContact OE2-NE 3.19Å; E286-R351 PolarHBondContact OE2-NE 2.88Å; E286-R351 IonicContact OE2-NH2 2.91Å; E286-R351 PolarHBondContact OE2-NH2 2.91Å; E286-I353 HydrophobicContact CB-CG2 4.29Å; E286-P354 WeakPolarHBondContact OE1-CD 3.37Å; E286-P354 WeakPolarHBondContact OE1-CG 3.46Å
287	I	98.1	Very high	96	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.5	171.8	-46.8	171.6	0	0	0	109.1	M253 L255 F258 F276 S277 Y278 I353 M389	M253-I287 HydrophobicContact CE-CD1 4.37Å; L255-I287 HydrophobicContact CD1-CD1 4.39Å; F258-I287 HydrophobicContact CD1-CD1 4.02Å; F258-I287 HydrophobicContact CE1-CD1 3.87Å; F258-I287 HydrophobicContact CE1-CG1 4.03Å; F258-I287 HydrophobicContact CE1-CG2 4.17Å; F258-I287 HydrophobicContact CE2-CG2 4.07Å; F258-I287 HydrophobicContact CZ-CD1 4.26Å; F258-I287 HydrophobicContact CZ-CG1 4.33Å; F258-I287 HydrophobicContact CZ-CG2 3.6Å; F276-I287 HydrophobicContact CE2-CB 4.47Å; F276-I287 HydrophobicContact CE2-CG2 3.75Å; F276-I287 HydrophobicContact CZ-CG2 4.21Å; S277-I287 CarbonylContact C-O 3.59Å; S277-I287 WeakPolarHBondContact CA-O 3.07Å; Y278-I287 HydrophobicContact CD1-CD1 4.19Å; Y278-I287 HydrophobicContact CD1-CG1 4.18Å; Y278-I287 PolarHBondContact N-O 3.42Å; Y278-I287 PolarHBondContact O-N 3.49Å; I287-I353 HydrophobicContact CD1-CD1 3.81Å; I287-I353 HydrophobicContact CD1-CG2 4.38Å; I287-I353 HydrophobicContact CG1-CD1 3.77Å; I287-I353 HydrophobicContact CG1-CG2 4.48Å; I287-M389 HydrophobicContact CD1-CE 3.7Å
288	Q	98.1	Very high	96	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.7	170.7	-60.8	-168.1	-25.6	0	0	111	Y290 L298 A299 E364	Q288-Y290 HydrophobicContact CB-CD1 4.16Å; Q288-L298 WeakPolarHBondContact O-CA 3.45Å; Q288-A299 HydrophobicContact CB-CB 4.44Å; Q288-A299 PolarHBondContact N-O 3.23Å; Q288-A299 PolarHBondContact O-N 2.76Å; Q288-E364 PolarHBondContact NE2-OE1 3.06Å
289	L	98.6	Very high	96.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.4	160	-174.4	70.8	0	0	0	107.9	I262 V275 F276 V297 L298 L321 L334	I262-L289 HydrophobicContact CG2-CD2 3.79Å; V275-L289 WeakPolarHBondContact CB-O 3.22Å; V275-L289 PolarHBondContact N-O 2.9Å; F276-L289 HydrophobicContact CD1-CB 3.65Å; F276-L289 HydrophobicContact CD1-CD2 4.15Å; F276-L289 HydrophobicContact CE1-CB 3.28Å; F276-L289 HydrophobicContact CE1-CD2 3.72Å; F276-L289 HydrophobicContact CE1-CG 4.14Å; F276-L289 HydrophobicContact CE2-CB 4.5Å; F276-L289 HydrophobicContact CG-CB 4.4Å; F276-L289 HydrophobicContact CZ-CB 3.75Å; F276-L289 PolarHBondContact N-O 3.08Å; F276-L289 PolarHBondContact O-N 2.82Å; F276-L289 VanDerWaalsContact O-N 3.12Å; L289-V297 WeakPolarHBondContact CA-O 3.39Å; L289-L298 HydrophobicContact CD1-CB 4.43Å; L289-L321 HydrophobicContact CD2-CB 4.22Å; L289-L321 HydrophobicContact CD2-CD1 4.37Å; L289-L334 HydrophobicContact CD1-CD1 3.98Å
290	Y	98.6	Very high	96.2	Very high	22 Å²	22	38.8 Å²	38.8	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.8	-178.9	68.5	-94.4	0	0	0	111.8	K272 T273 Q288 V297 A299	K272-Y290 HydrophobicContact CD-CD2 4.33Å; K272-Y290 HydrophobicContact CD-CE2 4.37Å; K272-Y290 HydrophobicContact CG-CD2 3.69Å; K272-Y290 HydrophobicContact CG-CE2 4.05Å; K272-Y290 HydrophobicContact CG-CG 4.16Å; T273-Y290 CarbonylContact O-C 3.49Å; T273-Y290 VanDerWaalsContact O-CA 3.29Å; T273-Y290 WeakPolarHBondContact O-CA 3.44Å; T273-Y290 WeakPolarHBondContact O-CB 3.35Å; Q288-Y290 HydrophobicContact CB-CD1 4.16Å; Y290-V297 HydrophobicContact CD1-CB 4.22Å; Y290-V297 HydrophobicContact CD1-CG1 4.45Å; Y290-V297 HydrophobicContact CD2-CB 3.99Å; Y290-V297 HydrophobicContact CD2-CG2 4.24Å; Y290-V297 HydrophobicContact CE1-CB 3.86Å; Y290-V297 HydrophobicContact CE1-CG1 3.66Å; Y290-V297 HydrophobicContact CE2-CB 3.61Å; Y290-V297 HydrophobicContact CE2-CG1 3.98Å; Y290-V297 HydrophobicContact CE2-CG2 3.71Å; Y290-V297 HydrophobicContact CG-CB 4.29Å; Y290-V297 PolarHBondContact N-O 2.88Å; Y290-V297 PolarHBondContact O-N 3.11Å; Y290-V297 WeakPolarHBondContact OH-CG1 3.47Å; Y290-A299 HydrophobicContact CE1-CB 4.18Å
291	L	98.5	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145	176.7	-44	-178.4	0	0	0	109.4	I264 V266 V269 K272 T273 V275 S295 A296 I313 L321	I264-L291 HydrophobicContact CD1-CD1 3.93Å; I264-L291 HydrophobicContact CD1-CD2 3.91Å; I264-L291 HydrophobicContact CD1-CG 4.39Å; V266-L291 HydrophobicContact CB-CD1 4.07Å; V266-L291 HydrophobicContact CG1-CD1 4.06Å; V266-L291 HydrophobicContact CG2-CD1 4.08Å; V269-L291 HydrophobicContact CG1-CB 3.75Å; V269-L291 HydrophobicContact CG2-CD1 4.13Å; K272-L291 CarbonylContact C-O 3.5Å; K272-L291 WeakPolarHBondContact CA-O 3.48Å; T273-L291 PolarHBondContact N-O 3.45Å; T273-L291 PolarHBondContact O-N 2.99Å; V275-L291 HydrophobicContact CG2-CD1 4.39Å; V275-L291 HydrophobicContact CG2-CD2 4.01Å; V275-L291 HydrophobicContact CG2-CG 3.89Å; L291-S295 CarbonylContact C-O 3.56Å; L291-S295 WeakPolarHBondContact CA-O 3.5Å; L291-A296 HydrophobicContact CD2-CB 4.48Å; L291-I313 HydrophobicContact CD1-CD1 4.43Å; L291-I313 HydrophobicContact CD1-CG2 4.05Å; L291-I313 HydrophobicContact CD2-CD1 3.64Å; L291-I313 HydrophobicContact CD2-CG1 3.99Å; L291-L321 HydrophobicContact CD2-CD1 4.12Å
292	S	97.4	Very high	96.3	Very high	37 Å²	37	31.2 Å²	31.2	26%	0.259	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	103.6	177.2	161.8	0	0	0	0	108.7	D271 E294 S295	D271-S292 WeakPolarHBondContact O-CA 3.45Å; D271-S292 VanDerWaalsContact O-CB 3.29Å; D271-S292 WeakPolarHBondContact O-CB 3.24Å; D271-S292 PolarHBondContact O-OG 2.92Å; S292-E294 PolarHBondContact O-N 3.13Å; S292-E294 VanDerWaalsContact O-N 3.13Å; S292-S295 PolarHBondContact N-O 2.57Å; S292-S295 WeakPolarHBondContact O-CB 3.41Å; S292-S295 PolarHBondContact O-N 2.95Å
293	R	95.5	Very high	96.3	Very high	159 Å²	159	29.5 Å²	29.5	60%	0.6	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	-113.6	-169.4	-51	-176.8	-164.3	-68.2	-10.6	110.7	V269 S270 D271	V269-R293 WeakPolarHBondContact CG1-O 3.11Å; S270-R293 PolarHBondContact O-N 2.93Å; S270-R293 VanDerWaalsContact O-N 3.12Å; D271-R293 IonicContact OD1-CZ 2.96Å; D271-R293 IonicContact OD1-NE 3.92Å; D271-R293 IonicContact OD1-NH1 2.74Å; D271-R293 PolarHBondContact OD1-NH1 3.35Å; D271-R293 IonicContact OD1-NH2 2.83Å; D271-R293 PolarHBondContact OD1-NH2 2.95Å; D271-R293 IonicContact OD2-NH2 3.64Å
294	E	96.4	Very high	96.2	Very high	114 Å²	114	36.3 Å²	36.3	53%	0.533	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.5	179.5	-60.3	179.2	-177.7	0	0	113.3	S292 N311 V312 I313	S292-E294 PolarHBondContact O-N 3.13Å; S292-E294 VanDerWaalsContact O-N 3.13Å; E294-N311 CarbonylContact O-C 3.59Å; E294-N311 WeakPolarHBondContact O-CA 3.3Å; E294-N311 PolarHBondContact O-N 3Å; E294-V312 PolarHBondContact O-N 2.73Å; E294-I313 PolarHBondContact O-N 2.79Å; E294-I313 VanDerWaalsContact O-N 3.07Å
295	S	98.1	Very high	96.4	Very high	16 Å²	16	37.8 Å²	37.8	11%	0.112	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.9	-173.3	-50.1	0	0	0	0	112.7	L291 S292 V309 K310	L291-S295 CarbonylContact C-O 3.56Å; L291-S295 WeakPolarHBondContact CA-O 3.5Å; S292-S295 PolarHBondContact N-O 2.57Å; S292-S295 WeakPolarHBondContact O-CB 3.41Å; S292-S295 PolarHBondContact O-N 2.95Å; S295-V309 CarbonylContact C-O 3.58Å; S295-V309 WeakPolarHBondContact CA-O 3.13Å; S295-V309 VanDerWaalsContact CB-O 3.24Å; S295-V309 WeakPolarHBondContact CB-O 3.37Å; S295-K310 WeakPolarHBondContact OG-CA 3.29Å
296	A	98.4	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.6	166.8	0	0	0	0	0	109.9	L291 T308 V309 V312 I313 L321 L334	L291-A296 HydrophobicContact CD2-CB 4.48Å; A296-T308 WeakPolarHBondContact O-CA 3.26Å; A296-V309 PolarHBondContact N-O 3.21Å; A296-V309 PolarHBondContact O-N 3.44Å; A296-V312 HydrophobicContact CB-CG2 3.89Å; A296-I313 HydrophobicContact CB-CD1 4.25Å; A296-L321 HydrophobicContact CB-CD1 4.03Å; A296-L321 HydrophobicContact CB-CD2 4.11Å; A296-L334 HydrophobicContact CB-CD2 3.76Å
297	V	98.6	Very high	96.6	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.5	-176.7	-170.6	0	0	0	0	111.1	L289 Y290 K306 L307 T308	L289-V297 WeakPolarHBondContact CA-O 3.39Å; Y290-V297 HydrophobicContact CD1-CB 4.22Å; Y290-V297 HydrophobicContact CD1-CG1 4.45Å; Y290-V297 HydrophobicContact CD2-CB 3.99Å; Y290-V297 HydrophobicContact CD2-CG2 4.24Å; Y290-V297 HydrophobicContact CE1-CB 3.86Å; Y290-V297 HydrophobicContact CE1-CG1 3.66Å; Y290-V297 HydrophobicContact CE2-CB 3.61Å; Y290-V297 HydrophobicContact CE2-CG1 3.98Å; Y290-V297 HydrophobicContact CE2-CG2 3.71Å; Y290-V297 HydrophobicContact CG-CB 4.29Å; Y290-V297 PolarHBondContact N-O 2.88Å; Y290-V297 PolarHBondContact O-N 3.11Å; Y290-V297 WeakPolarHBondContact OH-CG1 3.47Å; V297-K306 HydrophobicContact CG1-CB 3.84Å; V297-K306 HydrophobicContact CG1-CD 4.15Å; V297-K306 HydrophobicContact CG1-CG 4.34Å; V297-L307 VanDerWaalsContact CA-O 3.3Å; V297-L307 WeakPolarHBondContact CA-O 3.49Å; V297-L307 WeakPolarHBondContact CG1-O 3.44Å; V297-T308 HydrophobicContact CG2-CG2 3.96Å
298	L	98.6	Very high	96.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126	167.6	175.9	68.3	0	0	0	108.7	F258 Q288 L289 V300 K306 L307 A332 L334	F258-L298 HydrophobicContact CE2-CD1 4.49Å; F258-L298 HydrophobicContact CZ-CD1 4.32Å; Q288-L298 WeakPolarHBondContact O-CA 3.45Å; L289-L298 HydrophobicContact CD1-CB 4.43Å; L298-V300 HydrophobicContact CD1-CG2 4.43Å; L298-V300 HydrophobicContact CG-CG2 4.31Å; L298-K306 CarbonylContact O-C 3.5Å; L298-K306 WeakPolarHBondContact O-CA 3.42Å; L298-L307 PolarHBondContact N-O 2.93Å; L298-L307 PolarHBondContact O-N 3.43Å; L298-A332 HydrophobicContact CD2-CB 4.34Å; L298-L334 HydrophobicContact CB-CD1 3.93Å
299	A	97.9	Very high	96.6	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.5	174.1	0	0	0	0	0	110.6	Q288 Y290 H305 K306	Q288-A299 HydrophobicContact CB-CB 4.44Å; Q288-A299 PolarHBondContact N-O 3.23Å; Q288-A299 PolarHBondContact O-N 2.76Å; Y290-A299 HydrophobicContact CE1-CB 4.18Å; A299-H305 VanDerWaalsContact CA-O 3.29Å; A299-H305 WeakPolarHBondContact CA-O 3.4Å; A299-K306 HydrophobicContact CB-CB 3.95Å
300	V	98	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128	-177.7	-175.4	0	0	0	0	110	F258 E286 L298 S302 H305 W325 I347 A348 I353	F258-V300 HydrophobicContact CE1-CG1 4.36Å; F258-V300 HydrophobicContact CE1-CG2 4.06Å; F258-V300 HydrophobicContact CZ-CG2 3.87Å; E286-V300 CarbonylContact O-C 3.5Å; E286-V300 WeakPolarHBondContact O-CA 3.42Å; L298-V300 HydrophobicContact CD1-CG2 4.43Å; L298-V300 HydrophobicContact CG-CG2 4.31Å; V300-S302 PolarHBondContact O-N 3.5Å; V300-H305 PolarHBondContact N-O 2.96Å; V300-H305 WeakPolarHBondContact O-CB 3.43Å; V300-W325 HydrophobicContact CB-CG 4.42Å; V300-W325 HydrophobicContact CG1-CD2 3.91Å; V300-W325 HydrophobicContact CG1-CE3 4.47Å; V300-W325 HydrophobicContact CG1-CG 4.08Å; V300-W325 HydrophobicContact CG1-CZ2 4.33Å; V300-W325 HydrophobicContact CG2-CB 4.18Å; V300-W325 HydrophobicContact CG2-CG 4.09Å; V300-I347 HydrophobicContact CB-CG2 3.87Å; V300-I347 HydrophobicContact CG2-CG2 4.3Å; V300-A348 HydrophobicContact CG1-CB 4.3Å; V300-I353 HydrophobicContact CG1-CD1 4.1Å
301	G	95.3	Very high	96.4	Very high	10 Å²	10	55.6 Å²	55.6	10%	0.103	27%	0.273	C	S	.	.	S	Bend	trans	71.6	-27.8	177.5	0	0	0	0	0	116	N283 Y285 E286	N283-G301 PolarHBondContact ND2-O 2.86Å; Y285-G301 CarbonylContact O-C 3.58Å; Y285-G301 VanDerWaalsContact O-C 3.26Å; Y285-G301 VanDerWaalsContact O-CA 3.29Å; Y285-G301 WeakPolarHBondContact O-CA 3.42Å; Y285-G301 PolarHBondContact O-N 3.21Å; E286-G301 PolarHBondContact O-N 2.99Å
302	S	92.9	Very high	96.3	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	28%	0.282	C	S	.	.	S	Bend	trans	-158.4	164.2	175.9	85.6	0	0	0	0	113.1	Y285 V300 Q304 H305	Y285-S302 PolarHBondContact O-N 3.03Å; V300-S302 PolarHBondContact O-N 3.5Å; S302-Q304 PolarHBondContact O-N 3.5Å; S302-Q304 PolarHBondContact OG-N 3.43Å; S302-Q304 VanDerWaalsContact OG-N 3.17Å; S302-H305 PolarHBondContact O-N 3.46Å; S302-H305 VanDerWaalsContact OG-CG 3.29Å; S302-H305 PolarHBondContact OG-N 3.03Å; S302-H305 VanDerWaalsContact OG-N 3.11Å
303	I	88.8	Confident	96.3	Very high	93 Å²	93	55.7 Å²	55.7	48%	0.477	27%	0.271	S	S	.	.	S	Bend	trans	-67.5	-16.8	173.3	62.1	170	0	0	0	114.1	Y285	Y285-I303 HydrophobicContact CD1-CG2 3.7Å; Y285-I303 HydrophobicContact CD2-CG2 4.01Å; Y285-I303 HydrophobicContact CE1-CG2 3.73Å; Y285-I303 HydrophobicContact CE2-CG2 4.01Å; Y285-I303 HydrophobicContact CG-CG2 3.86Å
304	Q	91.5	Very high	96.3	Very high	165 Å²	165	51.7 Å²	51.7	77%	0.771	27%	0.265	S	S	*	.	S	Bend	trans	-88.8	-28.9	178.7	-63.6	-179.1	-4.3	0	0	111.3	S302 K306	S302-Q304 PolarHBondContact O-N 3.5Å; S302-Q304 PolarHBondContact OG-N 3.43Å; S302-Q304 VanDerWaalsContact OG-N 3.17Å; Q304-K306 PolarHBondContact O-N 2.94Å
305	H	94.9	Very high	96.1	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.301	26%	0.262	S	S	.	.	S	Bend	trans	-87.9	81.3	179.9	-65.9	169.2	0	0	0	110.3	A299 V300 S302 I347 A348	A299-H305 VanDerWaalsContact CA-O 3.29Å; A299-H305 WeakPolarHBondContact CA-O 3.4Å; V300-H305 PolarHBondContact N-O 2.96Å; V300-H305 WeakPolarHBondContact O-CB 3.43Å; S302-H305 PolarHBondContact O-N 3.46Å; S302-H305 VanDerWaalsContact OG-CG 3.29Å; S302-H305 PolarHBondContact OG-N 3.03Å; S302-H305 VanDerWaalsContact OG-N 3.11Å; H305-I347 HydrophobicContact CB-CG2 4.06Å; H305-A348 PolarHBondContact ND1-N 3.36Å
306	K	96.5	Very high	95.8	Very high	105 Å²	105	51 Å²	51	46%	0.457	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.1	-175.9	67.6	-174.4	175	-168.5	0	113.6	V297 L298 A299 Q304	V297-K306 HydrophobicContact CG1-CB 3.84Å; V297-K306 HydrophobicContact CG1-CD 4.15Å; V297-K306 HydrophobicContact CG1-CG 4.34Å; L298-K306 CarbonylContact O-C 3.5Å; L298-K306 WeakPolarHBondContact O-CA 3.42Å; A299-K306 HydrophobicContact CB-CB 3.95Å; Q304-K306 PolarHBondContact O-N 2.94Å
307	L	97.9	Very high	95.5	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	171.8	177.9	61	0	0	0	108.9	V297 L298 L334 A342 T344 I347	V297-L307 VanDerWaalsContact CA-O 3.3Å; V297-L307 WeakPolarHBondContact CA-O 3.49Å; V297-L307 WeakPolarHBondContact CG1-O 3.44Å; L298-L307 PolarHBondContact N-O 2.93Å; L298-L307 PolarHBondContact O-N 3.43Å; L307-L334 HydrophobicContact CD2-CB 4.05Å; L307-A342 HydrophobicContact CD1-CB 3.86Å; L307-A342 HydrophobicContact CD2-CB 4.26Å; L307-A342 HydrophobicContact CG-CB 4.28Å; L307-T344 HydrophobicContact CB-CG2 4.23Å; L307-T344 HydrophobicContact CD1-CG2 3.87Å; L307-T344 HydrophobicContact CD2-CG2 4.47Å; L307-T344 HydrophobicContact CG-CG2 4.42Å; L307-I347 HydrophobicContact CB-CD1 3.96Å
308	T	98.3	Very high	95.3	Very high	57 Å²	57	60.2 Å²	60.2	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.5	-176.4	-59.7	0	0	0	0	111.1	A296 V297 K310	A296-T308 WeakPolarHBondContact O-CA 3.26Å; V297-T308 HydrophobicContact CG2-CG2 3.96Å; T308-K310 HydrophobicContact CG2-CG 4.35Å
309	V	98.3	Very high	95.1	Very high	14 Å²	14	60.9 Å²	60.9	9%	0.085	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	169.9	-179.2	0	0	0	0	108.4	S295 A296 V312 L334 A341 A342	S295-V309 CarbonylContact C-O 3.58Å; S295-V309 WeakPolarHBondContact CA-O 3.13Å; S295-V309 VanDerWaalsContact CB-O 3.24Å; S295-V309 WeakPolarHBondContact CB-O 3.37Å; A296-V309 PolarHBondContact N-O 3.21Å; A296-V309 PolarHBondContact O-N 3.44Å; V309-V312 HydrophobicContact CG1-CG1 3.58Å; V309-V312 HydrophobicContact CG1-CG2 4.26Å; V309-L334 HydrophobicContact CB-CD2 3.96Å; V309-L334 HydrophobicContact CG2-CB 3.94Å; V309-L334 HydrophobicContact CG2-CD2 3.57Å; V309-L334 HydrophobicContact CG2-CG 4.27Å; V309-A341 HydrophobicContact CB-CB 4.5Å; V309-A341 HydrophobicContact CG1-CB 3.79Å; V309-A341 HydrophobicContact CG2-CB 3.92Å; V309-A342 HydrophobicContact CG2-CB 3.67Å
310	K	97.8	Very high	95.1	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	32%	0.318	S	S	*	.			trans	-93.2	154.8	-174	-60.9	-178.3	-179.3	177.8	0	111.9	S295 T308 V312	S295-K310 WeakPolarHBondContact OG-CA 3.29Å; T308-K310 HydrophobicContact CG2-CG 4.35Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 3.3Å
311	N	95.8	Very high	95.1	Very high	126 Å²	126	60.8 Å²	60.8	67%	0.674	32%	0.318	S	S	*	.	S	Bend	trans	59.5	36.7	170.6	-51.6	-14.1	0	0	0	114.5	E294	E294-N311 CarbonylContact O-C 3.59Å; E294-N311 WeakPolarHBondContact O-CA 3.3Å; E294-N311 PolarHBondContact O-N 3Å
312	V	96	Very high	95.3	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	31%	0.313	C	S	.	.			trans	-111	-20.5	180	-66.3	0	0	0	0	112.6	E294 A296 V309 K310 I319 V336	E294-V312 PolarHBondContact O-N 2.73Å; A296-V312 HydrophobicContact CB-CG2 3.89Å; V309-V312 HydrophobicContact CG1-CG1 3.58Å; V309-V312 HydrophobicContact CG1-CG2 4.26Å; K310-V312 VanDerWaalsContact C-N 3.33Å; K310-V312 PolarHBondContact O-N 3.3Å; V312-I319 HydrophobicContact CB-CD1 4.11Å; V312-I319 WeakPolarHBondContact O-CD1 3.11Å; V312-V336 HydrophobicContact CB-CG1 4.48Å; V312-V336 HydrophobicContact CB-CG2 4.33Å; V312-V336 HydrophobicContact CG1-CG1 4.48Å; V312-V336 HydrophobicContact CG1-CG2 4.08Å
313	I	96.9	Very high	95.5	Very high	6 Å²	6	59 Å²	59	3%	0.031	31%	0.305	C	S	.	.			trans	-93.7	122	-176.1	-53.3	-54.7	0	0	0	110.7	V266 V269 L291 E294 A296 I319 L321	V266-I313 HydrophobicContact CG1-CG2 3.82Å; V269-I313 HydrophobicContact CG2-CG2 3.83Å; L291-I313 HydrophobicContact CD1-CD1 4.43Å; L291-I313 HydrophobicContact CD1-CG2 4.05Å; L291-I313 HydrophobicContact CD2-CD1 3.64Å; L291-I313 HydrophobicContact CD2-CG1 3.99Å; E294-I313 PolarHBondContact O-N 2.79Å; E294-I313 VanDerWaalsContact O-N 3.07Å; A296-I313 HydrophobicContact CB-CD1 4.25Å; I313-I319 HydrophobicContact CD1-CD1 4.13Å; I313-I319 HydrophobicContact CD1-CG2 4.35Å; I313-L321 HydrophobicContact CD1-CD1 4.39Å
314	V	94.6	Very high	96	Very high	76 Å²	76	54.8 Å²	54.8	46%	0.461	28%	0.283	S	S	.	.			trans	-123.3	112.9	172.1	-177.4	0	0	0	0	108.8	K317	V314-K317 HydrophobicContact CB-CB 4.45Å; V314-K317 HydrophobicContact CB-CD 4.2Å; V314-K317 HydrophobicContact CB-CG 4.48Å; V314-K317 HydrophobicContact CG1-CD 3.87Å; V314-K317 HydrophobicContact CG1-CG 4.14Å; V314-K317 PolarHBondContact O-N 3.41Å
315	P	94.2	Very high	96.4	Very high	72 Å²	72	47 Å²	47	47%	0.468	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.8	177.6	-26.9	35	0	0	0	112.8	V266 V269 K317	V266-P315 CarbonylContact O-C 3.52Å; V266-P315 WeakPolarHBondContact O-CA 3.31Å; V269-P315 HydrophobicContact CG2-CG 4.41Å; P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.07Å
316	G	91.7	Very high	96.5	Very high	43 Å²	43	45.7 Å²	45.7	44%	0.443	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	2.4	-179.1	0	0	0	0	0	115.2	K265 V266	K265-G316 WeakPolarHBondContact CE-O 3.11Å; V266-G316 PolarHBondContact O-N 3.4Å
317	K	91.4	Very high	96.5	Very high	139 Å²	139	41.7 Å²	41.7	60%	0.604	23%	0.23	S	C	*	.	S	Bend	trans	-112.8	145.4	172.1	-64.6	-170.6	-180	-178.8	0	111.1	V314 P315	V314-K317 HydrophobicContact CB-CB 4.45Å; V314-K317 HydrophobicContact CB-CD 4.2Å; V314-K317 HydrophobicContact CB-CG 4.48Å; V314-K317 HydrophobicContact CG1-CD 3.87Å; V314-K317 HydrophobicContact CG1-CG 4.14Å; V314-K317 PolarHBondContact O-N 3.41Å; P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.07Å
318	W	93.3	Very high	96.4	Very high	57 Å²	57	43.7 Å²	43.7	22%	0.216	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.6	170.8	-76.2	113.8	0	0	0	109.8	L226 P227 A233 W263 I264 K265 K383 T385	L226-W318 HydrophobicContact CD2-CH2 4.39Å; L226-W318 HydrophobicContact CD2-CZ2 3.83Å; P227-W318 HydrophobicContact CG-CD2 3.79Å; P227-W318 HydrophobicContact CG-CE3 3.84Å; P227-W318 HydrophobicContact CG-CG 4.18Å; P227-W318 HydrophobicContact CG-CZ3 4.26Å; A233-W318 HydrophobicContact CB-CH2 4.48Å; W263-W318 HydrophobicContact CB-CE3 4.12Å; W263-W318 HydrophobicContact CB-CZ3 4.15Å; W263-W318 HydrophobicContact CE3-CB 4.16Å; W263-W318 HydrophobicContact CZ3-CB 4.23Å; I264-W318 CarbonylContact O-C 3.58Å; I264-W318 WeakPolarHBondContact O-CA 3.33Å; K265-W318 HydrophobicContact CB-CD2 3.55Å; K265-W318 HydrophobicContact CB-CE3 3.6Å; K265-W318 HydrophobicContact CB-CG 4.12Å; K265-W318 HydrophobicContact CB-CH2 4.1Å; K265-W318 HydrophobicContact CB-CZ2 4.06Å; K265-W318 HydrophobicContact CB-CZ3 3.88Å; K265-W318 HydrophobicContact CD-CD2 4.22Å; K265-W318 HydrophobicContact CD-CG 4.32Å; K265-W318 HydrophobicContact CD-CZ2 4.32Å; K265-W318 HydrophobicContact CG-CD2 4.37Å; W318-K383 HydrophobicContact CH2-CB 3.59Å; W318-K383 HydrophobicContact CZ2-CB 4.01Å; W318-K383 HydrophobicContact CZ2-CD 4.27Å; W318-K383 HydrophobicContact CZ3-CB 4.42Å; W318-T385 HydrophobicContact CH2-CG2 4.02Å; W318-T385 HydrophobicContact CZ3-CG2 4.01Å
319	I	95.9	Very high	96.2	Very high	16 Å²	16	45 Å²	45	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.3	171	-179.7	161.8	0	0	0	108.8	W263 I264 V312 I313 L321 V336	W263-I319 WeakPolarHBondContact CA-O 3.49Å; I264-I319 HydrophobicContact CD1-CG2 4.14Å; I264-I319 HydrophobicContact CG1-CG2 3.52Å; I264-I319 PolarHBondContact N-O 3.08Å; I264-I319 PolarHBondContact O-N 2.86Å; V312-I319 HydrophobicContact CB-CD1 4.11Å; V312-I319 WeakPolarHBondContact O-CD1 3.11Å; I313-I319 HydrophobicContact CD1-CD1 4.13Å; I313-I319 HydrophobicContact CD1-CG2 4.35Å; I319-L321 HydrophobicContact CD1-CD2 3.91Å; I319-L321 HydrophobicContact CG1-CD2 3.98Å; I319-L321 HydrophobicContact CG1-CG 4.25Å; I319-V336 HydrophobicContact CD1-CG1 3.68Å; I319-V336 HydrophobicContact CG1-CG1 4.1Å
320	H	97.1	Very high	96.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.1	171.9	-177.3	-117.7	0	0	0	109.4	W263 C322 V336 S337 Q402 S403	W263-H320 AromaticContact CD1-CD2 3.5Å; W263-H320 HydrophobicContact CD2-CB 3.72Å; W263-H320 AromaticContact CE2-CD2 3.69Å; W263-H320 AromaticContact CE2-CG 3.8Å; W263-H320 HydrophobicContact CE3-CB 3.82Å; W263-H320 HydrophobicContact CG-CB 4.43Å; W263-H320 AromaticContact CG-CD2 3.94Å; W263-H320 HydrophobicContact CH2-CB 3.81Å; W263-H320 HydrophobicContact CZ2-CB 3.68Å; W263-H320 HydrophobicContact CZ3-CB 3.87Å; W263-H320 AromaticContact NE1-CD2 3.3Å; W263-H320 PolarHBondContact NE1-CD2 2.83Å; W263-H320 VanDerWaalsContact NE1-CD2 3.3Å; W263-H320 AromaticContact NE1-CG 3.86Å; H320-C322 PolarHBondContact CE1-SG 3.41Å; H320-V336 WeakPolarHBondContact O-CA 3.47Å; H320-S337 PolarHBondContact O-N 3.23Å; H320-Q402 VanDerWaalsContact CE1-C 3.44Å; H320-Q402 PolarHBondContact CE1-O 3.48Å; H320-Q402 VanDerWaalsContact CE1-O 3.31Å; H320-Q402 PolarHBondContact NE2-O 3.1Å; H320-Q402 VanDerWaalsContact NE2-O 3.15Å; H320-S403 WeakPolarHBondContact ND1-CB 3.36Å
321	L	98.5	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	177.7	-62.9	176.8	0	0	0	109	C261 I262 I264 L289 L291 A296 I313 I319 W335 V336	C261-L321 CarbonylContact C-O 3.47Å; C261-L321 WeakPolarHBondContact CA-O 3.25Å; I262-L321 PolarHBondContact N-O 2.96Å; I262-L321 PolarHBondContact O-N 3.2Å; I264-L321 HydrophobicContact CD1-CD1 3.82Å; L289-L321 HydrophobicContact CD2-CB 4.22Å; L289-L321 HydrophobicContact CD2-CD1 4.37Å; L291-L321 HydrophobicContact CD2-CD1 4.12Å; A296-L321 HydrophobicContact CB-CD1 4.03Å; A296-L321 HydrophobicContact CB-CD2 4.11Å; I313-L321 HydrophobicContact CD1-CD1 4.39Å; I319-L321 HydrophobicContact CD1-CD2 3.91Å; I319-L321 HydrophobicContact CG1-CD2 3.98Å; I319-L321 HydrophobicContact CG1-CG 4.25Å; L321-W335 WeakPolarHBondContact CA-O 3.49Å; L321-V336 HydrophobicContact CD2-CG2 3.91Å
322	C	98.6	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.2	165.8	-62.9	0	0	0	0	110.2	A260 C261 H320 L334 W335 I399	A260-C322 CarbonylContact O-C 3.53Å; A260-C322 VanDerWaalsContact O-CA 3.23Å; A260-C322 WeakPolarHBondContact O-CA 3.36Å; C261-C322 HydrophobicContact CB-CB 4.18Å; C261-C322 WeakPolarHBondContact CB-SG 3.41Å; C261-C322 WeakPolarHBondContact SG-CB 3.49Å; C261-C322 CovalentContact SG-SG 2.04Å; C261-C322 PolarHBondContact SG-SG 2.98Å; H320-C322 PolarHBondContact CE1-SG 3.41Å; C322-L334 CarbonylContact O-C 3.55Å; C322-L334 WeakPolarHBondContact O-CA 3.24Å; C322-L334 WeakPolarHBondContact O-CD1 3.21Å; C322-W335 HydrophobicContact CB-CB 4.18Å; C322-W335 PolarHBondContact N-O 2.82Å; C322-W335 VanDerWaalsContact N-O 3.09Å; C322-W335 PolarHBondContact O-N 3.02Å; C322-I399 HydrophobicContact CB-CG2 4.1Å
323	G	98.6	Very high	96.4	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.2	169.4	0	0	0	0	0	110.4	T259 A260 S333	T259-G323 CarbonylContact C-O 3.48Å; T259-G323 WeakPolarHBondContact CA-O 3.23Å; A260-G323 PolarHBondContact N-O 3.27Å; A260-G323 PolarHBondContact O-N 3.05Å; G323-S333 WeakPolarHBondContact CA-O 3.33Å
324	T	98.7	Very high	96.5	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.6	169.6	76	0	0	0	0	110.4	F258 T259 A332 S333 W335 V393 I399	F258-T324 VanDerWaalsContact O-CA 3.25Å; F258-T324 WeakPolarHBondContact O-CA 3.35Å; T259-T324 HydrophobicContact CG2-CG2 3.79Å; T259-T324 WeakPolarHBondContact OG1-CG2 3.39Å; T324-A332 CarbonylContact O-C 3.31Å; T324-A332 WeakPolarHBondContact O-CA 3.16Å; T324-S333 PolarHBondContact N-O 2.85Å; T324-S333 PolarHBondContact O-N 3.11Å; T324-W335 HydrophobicContact CG2-CE3 4.15Å; T324-W335 HydrophobicContact CG2-CH2 3.48Å; T324-W335 VanDerWaalsContact CG2-CH2 3.48Å; T324-W335 HydrophobicContact CG2-CZ2 4.46Å; T324-W335 HydrophobicContact CG2-CZ3 3.29Å; T324-W335 WeakPolarHBondContact OG1-CH2 3.2Å; T324-W335 WeakPolarHBondContact OG1-CZ3 3.33Å; T324-V393 HydrophobicContact CG2-CG1 4.19Å; T324-I399 HydrophobicContact CG2-CD1 4.04Å
325	W	98.6	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.9	172.4	171.3	85.3	0	0	0	110.9	S257 F258 V300 T331 I347 A348 R351 I353	S257-W325 CarbonylContact C-O 3.5Å; S257-W325 WeakPolarHBondContact CA-O 3.24Å; S257-W325 WeakPolarHBondContact CB-O 3.39Å; F258-W325 HydrophobicContact CD1-CB 4.1Å; F258-W325 AromaticContact CD1-CE3 3.77Å; F258-W325 HydrophobicContact CD1-CE3 3.77Å; F258-W325 HydrophobicContact CE1-CB 3.57Å; F258-W325 HydrophobicContact CE1-CD2 4.18Å; F258-W325 AromaticContact CE1-CE3 3.85Å; F258-W325 HydrophobicContact CE1-CE3 3.85Å; F258-W325 HydrophobicContact CE1-CG 4.12Å; F258-W325 HydrophobicContact CZ-CB 3.8Å; F258-W325 PolarHBondContact N-O 3.42Å; F258-W325 PolarHBondContact O-N 3.46Å; V300-W325 HydrophobicContact CB-CG 4.42Å; V300-W325 HydrophobicContact CG1-CD2 3.91Å; V300-W325 HydrophobicContact CG1-CE3 4.47Å; V300-W325 HydrophobicContact CG1-CG 4.08Å; V300-W325 HydrophobicContact CG1-CZ2 4.33Å; V300-W325 HydrophobicContact CG2-CB 4.18Å; V300-W325 HydrophobicContact CG2-CG 4.09Å; W325-T331 CarbonylContact C-O 3.56Å; W325-T331 VanDerWaalsContact CA-O 3.24Å; W325-T331 WeakPolarHBondContact CA-O 3.32Å; W325-I347 PolarHBondContact NE1-O 3.32Å; W325-A348 HydrophobicContact CZ2-CB 4.35Å; W325-A348 WeakPolarHBondContact CZ2-O 3.42Å; W325-R351 WeakPolarHBondContact CH2-O 3.44Å; W325-I353 HydrophobicContact CE3-CD1 3.81Å; W325-I353 HydrophobicContact CH2-CD1 4.2Å; W325-I353 HydrophobicContact CH2-CG1 4.07Å; W325-I353 HydrophobicContact CZ3-CD1 3.56Å; W325-I353 HydrophobicContact CZ3-CG1 3.86Å
326	S	98.2	Very high	96.8	Very high	39 Å²	39	26.2 Å²	26.2	27%	0.273	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.5	173.2	178.7	0	0	0	0	111.5	G328 G330 T331	S326-G328 VanDerWaalsContact C-N 3.34Å; S326-G328 PolarHBondContact O-N 3.35Å; S326-G330 CarbonylContact O-C 3.49Å; S326-G330 WeakPolarHBondContact O-CA 3.5Å; S326-G330 PolarHBondContact O-N 3.12Å; S326-G330 VanDerWaalsContact O-N 3.13Å; S326-T331 PolarHBondContact N-O 2.93Å; S326-T331 PolarHBondContact O-N 2.92Å
327	S	97.1	Very high	97	Very high	20 Å²	20	27.2 Å²	27.2	14%	0.14	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.1	-176	55.8	0	0	0	0	114.1	H256 N329 G330 D349 T350 R351	H256-S327 WeakPolarHBondContact O-CB 3.24Å; H256-S327 PolarHBondContact O-N 3.39Å; H256-S327 PolarHBondContact O-OG 2.86Å; S327-N329 PolarHBondContact O-N 2.87Å; S327-G330 PolarHBondContact O-N 3.23Å; S327-D349 CarbonylContact O-C 3.59Å; S327-T350 PolarHBondContact O-N 2.91Å; S327-R351 WeakPolarHBondContact CB-O 3.14Å
328	G	94.4	Very high	97.2	Very high	58 Å²	58	21.2 Å²	21.2	60%	0.598	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-54.1	-167.3	0	0	0	0	0	114.4	S326	S326-G328 VanDerWaalsContact C-N 3.34Å; S326-G328 PolarHBondContact O-N 3.35Å
329	N	93.9	Very high	97.4	Very high	86 Å²	86	25.8 Å²	25.8	46%	0.46	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	13.2	174.4	64.9	-11	0	0	0	112.3	S327 T331 G346	S327-N329 PolarHBondContact O-N 2.87Å; N329-T331 VanDerWaalsContact C-N 3.31Å; N329-T331 PolarHBondContact ND2-OG1 3.12Å; N329-T331 PolarHBondContact O-N 2.86Å; N329-T331 WeakPolarHBondContact OD1-CB 3.31Å; N329-T331 PolarHBondContact OD1-N 2.96Å; N329-T331 VanDerWaalsContact OD1-N 3.11Å; N329-T331 PolarHBondContact OD1-OG1 3.49Å; N329-G346 PolarHBondContact O-N 3.14Å
330	G	97	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	35.6	-174.7	0	0	0	0	0	113.2	S326 S327 A332 S345 G346 I347	S326-G330 CarbonylContact O-C 3.49Å; S326-G330 WeakPolarHBondContact O-CA 3.5Å; S326-G330 PolarHBondContact O-N 3.12Å; S326-G330 VanDerWaalsContact O-N 3.13Å; S327-G330 PolarHBondContact O-N 3.23Å; G330-A332 PolarHBondContact O-N 2.79Å; G330-S345 CarbonylContact O-C 3.55Å; G330-S345 WeakPolarHBondContact O-CA 3.35Å; G330-G346 PolarHBondContact O-N 3.38Å; G330-I347 WeakPolarHBondContact CA-O 3.35Å; G330-I347 PolarHBondContact O-N 2.94Å
331	T	98.2	Very high	97.5	Very high	42 Å²	42	31.6 Å²	31.6	26%	0.258	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	115.9	175.5	-63.9	0	0	0	0	108.5	W325 S326 N329 T344	W325-T331 CarbonylContact C-O 3.56Å; W325-T331 VanDerWaalsContact CA-O 3.24Å; W325-T331 WeakPolarHBondContact CA-O 3.32Å; S326-T331 PolarHBondContact N-O 2.93Å; S326-T331 PolarHBondContact O-N 2.92Å; N329-T331 VanDerWaalsContact C-N 3.31Å; N329-T331 PolarHBondContact ND2-OG1 3.12Å; N329-T331 PolarHBondContact O-N 2.86Å; N329-T331 WeakPolarHBondContact OD1-CB 3.31Å; N329-T331 PolarHBondContact OD1-N 2.96Å; N329-T331 VanDerWaalsContact OD1-N 3.11Å; N329-T331 PolarHBondContact OD1-OG1 3.49Å; T331-T344 CarbonylContact C-O 3.47Å; T331-T344 WeakPolarHBondContact CA-O 3.21Å
332	A	98.4	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	169.3	0	0	0	0	0	109.8	L298 T324 G330 T343 T344 I347	L298-A332 HydrophobicContact CD2-CB 4.34Å; T324-A332 CarbonylContact O-C 3.31Å; T324-A332 WeakPolarHBondContact O-CA 3.16Å; G330-A332 PolarHBondContact O-N 2.79Å; A332-T343 WeakPolarHBondContact O-CA 3.47Å; A332-T343 PolarHBondContact O-OG1 3.02Å; A332-T344 PolarHBondContact N-O 2.8Å; A332-T344 PolarHBondContact O-N 3.44Å; A332-T344 VanDerWaalsContact O-O 3.13Å; A332-I347 HydrophobicContact CB-CB 4.17Å; A332-I347 HydrophobicContact CB-CD1 3.81Å; A332-I347 HydrophobicContact CB-CG1 4.49Å; A332-I347 HydrophobicContact CB-CG2 4.15Å
333	S	98.6	Very high	97.5	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.3	179.9	-66.8	0	0	0	0	109.9	G323 T324 W335 A342 T343	G323-S333 WeakPolarHBondContact CA-O 3.33Å; T324-S333 PolarHBondContact N-O 2.85Å; T324-S333 PolarHBondContact O-N 3.11Å; S333-W335 WeakPolarHBondContact O-CZ3 3.2Å; S333-A342 CarbonylContact C-O 3.54Å; S333-A342 VanDerWaalsContact CA-O 3.24Å; S333-A342 WeakPolarHBondContact CA-O 3.36Å; S333-T343 VanDerWaalsContact OG-CB 3.24Å; S333-T343 WeakPolarHBondContact OG-CB 3.38Å; S333-T343 PolarHBondContact OG-OG1 2.95Å
334	L	98.6	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.6	179.4	-159.7	76.1	0	0	0	109.3	L289 A296 L298 L307 V309 C322 A341 A342	L289-L334 HydrophobicContact CD1-CD1 3.98Å; A296-L334 HydrophobicContact CB-CD2 3.76Å; L298-L334 HydrophobicContact CB-CD1 3.93Å; L307-L334 HydrophobicContact CD2-CB 4.05Å; V309-L334 HydrophobicContact CB-CD2 3.96Å; V309-L334 HydrophobicContact CG2-CB 3.94Å; V309-L334 HydrophobicContact CG2-CD2 3.57Å; V309-L334 HydrophobicContact CG2-CG 4.27Å; C322-L334 CarbonylContact O-C 3.55Å; C322-L334 WeakPolarHBondContact O-CA 3.24Å; C322-L334 WeakPolarHBondContact O-CD1 3.21Å; L334-A341 WeakPolarHBondContact O-CA 3.36Å; L334-A341 WeakPolarHBondContact O-CB 3.28Å; L334-A341 PolarHBondContact O-N 3.23Å; L334-A342 PolarHBondContact N-O 3.48Å; L334-A342 PolarHBondContact O-N 2.69Å; L334-A342 VanDerWaalsContact O-N 3.12Å
335	W	98.6	Very high	97.4	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.8	178.8	-66.1	-116.5	0	0	0	109.7	L321 C322 T324 S333 E339 L340 I399	L321-W335 WeakPolarHBondContact CA-O 3.49Å; C322-W335 HydrophobicContact CB-CB 4.18Å; C322-W335 PolarHBondContact N-O 2.82Å; C322-W335 VanDerWaalsContact N-O 3.09Å; C322-W335 PolarHBondContact O-N 3.02Å; T324-W335 HydrophobicContact CG2-CE3 4.15Å; T324-W335 HydrophobicContact CG2-CH2 3.48Å; T324-W335 VanDerWaalsContact CG2-CH2 3.48Å; T324-W335 HydrophobicContact CG2-CZ2 4.46Å; T324-W335 HydrophobicContact CG2-CZ3 3.29Å; T324-W335 WeakPolarHBondContact OG1-CH2 3.2Å; T324-W335 WeakPolarHBondContact OG1-CZ3 3.33Å; S333-W335 WeakPolarHBondContact O-CZ3 3.2Å; W335-E339 CarbonylContact C-O 3.52Å; W335-E339 WeakPolarHBondContact CA-O 3.38Å; W335-E339 WeakPolarHBondContact CB-O 3.29Å; W335-L340 VanDerWaalsContact CD1-CA 3.44Å; W335-L340 VanDerWaalsContact CD1-N 3.34Å; W335-L340 HydrophobicContact CD2-CD1 3.92Å; W335-L340 HydrophobicContact CE3-CD1 4.43Å; W335-L340 HydrophobicContact CG-CD1 4.43Å; W335-L340 HydrophobicContact CH2-CD1 4.24Å; W335-L340 HydrophobicContact CZ2-CD1 3.69Å; W335-I399 HydrophobicContact CB-CG2 3.95Å; W335-I399 HydrophobicContact CD2-CD1 3.86Å; W335-I399 HydrophobicContact CD2-CG2 4.32Å; W335-I399 HydrophobicContact CE3-CD1 4.25Å; W335-I399 HydrophobicContact CG-CD1 4.34Å; W335-I399 HydrophobicContact CG-CG2 3.73Å; W335-I399 HydrophobicContact CH2-CD1 4.05Å; W335-I399 HydrophobicContact CZ2-CD1 3.66Å; W335-I399 HydrophobicContact CZ3-CD1 4.34Å
336	V	98.2	Very high	97.3	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.145	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.5	177.9	177.8	0	0	0	0	107.7	V312 I319 H320 L321 G338 E339 A341	V312-V336 HydrophobicContact CB-CG1 4.48Å; V312-V336 HydrophobicContact CB-CG2 4.33Å; V312-V336 HydrophobicContact CG1-CG1 4.48Å; V312-V336 HydrophobicContact CG1-CG2 4.08Å; I319-V336 HydrophobicContact CD1-CG1 3.68Å; I319-V336 HydrophobicContact CG1-CG1 4.1Å; H320-V336 WeakPolarHBondContact O-CA 3.47Å; L321-V336 HydrophobicContact CD2-CG2 3.91Å; V336-G338 PolarHBondContact O-N 2.87Å; V336-E339 PolarHBondContact N-O 3.12Å; V336-E339 PolarHBondContact O-N 2.97Å; V336-A341 HydrophobicContact CB-CB 4.4Å; V336-A341 HydrophobicContact CG2-CB 3.89Å
337	S	95.4	Very high	97.2	Very high	65 Å²	65	43.2 Å²	43.2	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	38	179.1	-56	0	0	0	0	113.9	H320 E339 S403	H320-S337 PolarHBondContact O-N 3.23Å; S337-E339 VanDerWaalsContact C-N 3.32Å; S337-E339 PolarHBondContact O-N 2.82Å; S337-S403 PolarHBondContact O-OG 2.83Å
338	G	94.7	Very high	97	Very high	12 Å²	12	42.5 Å²	42.5	12%	0.124	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-9.4	178.2	0	0	0	0	0	114.8	V336 S403	V336-G338 PolarHBondContact O-N 2.87Å; G338-S403 WeakPolarHBondContact CA-OG 3.39Å
339	E	97.3	Very high	97	Very high	153 Å²	153	43.7 Å²	43.7	72%	0.715	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	140.5	-179	-62.1	-175.1	169.7	0	0	111.9	W335 V336 S337 A341	W335-E339 CarbonylContact C-O 3.52Å; W335-E339 WeakPolarHBondContact CA-O 3.38Å; W335-E339 WeakPolarHBondContact CB-O 3.29Å; V336-E339 PolarHBondContact N-O 3.12Å; V336-E339 PolarHBondContact O-N 2.97Å; S337-E339 VanDerWaalsContact C-N 3.32Å; S337-E339 PolarHBondContact O-N 2.82Å; E339-A341 PolarHBondContact O-N 3.32Å
340	L	98.3	Very high	97	Very high	93 Å²	93	45.3 Å²	45.3	49%	0.487	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.1	177	177.6	65	0	0	0	110.1	W335	W335-L340 VanDerWaalsContact CD1-CA 3.44Å; W335-L340 VanDerWaalsContact CD1-N 3.34Å; W335-L340 HydrophobicContact CD2-CD1 3.92Å; W335-L340 HydrophobicContact CE3-CD1 4.43Å; W335-L340 HydrophobicContact CG-CD1 4.43Å; W335-L340 HydrophobicContact CH2-CD1 4.24Å; W335-L340 HydrophobicContact CZ2-CD1 3.69Å
341	A	98.3	Very high	96.9	Very high	48 Å²	48	49.6 Å²	49.6	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-34.8	-178	0	0	0	0	0	112.9	V309 L334 V336 E339	V309-A341 HydrophobicContact CB-CB 4.5Å; V309-A341 HydrophobicContact CG1-CB 3.79Å; V309-A341 HydrophobicContact CG2-CB 3.92Å; L334-A341 WeakPolarHBondContact O-CA 3.36Å; L334-A341 WeakPolarHBondContact O-CB 3.28Å; L334-A341 PolarHBondContact O-N 3.23Å; V336-A341 HydrophobicContact CB-CB 4.4Å; V336-A341 HydrophobicContact CG2-CB 3.89Å; E339-A341 PolarHBondContact O-N 3.32Å
342	A	98.2	Very high	96.8	Very high	25 Å²	25	50.3 Å²	50.3	21%	0.207	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	153.6	173.8	0	0	0	0	0	112.7	L307 V309 S333 L334	L307-A342 HydrophobicContact CD1-CB 3.86Å; L307-A342 HydrophobicContact CD2-CB 4.26Å; L307-A342 HydrophobicContact CG-CB 4.28Å; V309-A342 HydrophobicContact CG2-CB 3.67Å; S333-A342 CarbonylContact C-O 3.54Å; S333-A342 VanDerWaalsContact CA-O 3.24Å; S333-A342 WeakPolarHBondContact CA-O 3.36Å; L334-A342 PolarHBondContact N-O 3.48Å; L334-A342 PolarHBondContact O-N 2.69Å; L334-A342 VanDerWaalsContact O-N 3.12Å
343	T	98.2	Very high	96.8	Very high	86 Å²	86	50.3 Å²	50.3	53%	0.528	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146	172.7	-165.9	0	0	0	0	110.5	A332 S333	A332-T343 WeakPolarHBondContact O-CA 3.47Å; A332-T343 PolarHBondContact O-OG1 3.02Å; S333-T343 VanDerWaalsContact OG-CB 3.24Å; S333-T343 WeakPolarHBondContact OG-CB 3.38Å; S333-T343 PolarHBondContact OG-OG1 2.95Å
344	T	97.9	Very high	96.7	Very high	53 Å²	53	52 Å²	52	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.1	172.1	-169.6	0	0	0	0	110.5	L307 T331 A332 I347	L307-T344 HydrophobicContact CB-CG2 4.23Å; L307-T344 HydrophobicContact CD1-CG2 3.87Å; L307-T344 HydrophobicContact CD2-CG2 4.47Å; L307-T344 HydrophobicContact CG-CG2 4.42Å; T331-T344 CarbonylContact C-O 3.47Å; T331-T344 WeakPolarHBondContact CA-O 3.21Å; A332-T344 PolarHBondContact N-O 2.8Å; A332-T344 PolarHBondContact O-N 3.44Å; A332-T344 VanDerWaalsContact O-O 3.13Å; T344-I347 HydrophobicContact CG2-CD1 3.36Å; T344-I347 HydrophobicContact CG2-CG1 3.89Å
345	S	97.2	Very high	96.6	Very high	78 Å²	78	55.5 Å²	55.5	55%	0.545	33%	0.333	S	S	.	.	S	Bend	trans	-101.7	171.2	169.6	55.7	0	0	0	0	111.6	G330 I347	G330-S345 CarbonylContact O-C 3.55Å; G330-S345 WeakPolarHBondContact O-CA 3.35Å; S345-I347 VanDerWaalsContact C-N 3.35Å
346	G	95.7	Very high	96.3	Very high	38 Å²	38	58 Å²	58	39%	0.392	36%	0.362	S	S	.	.			trans	79.3	10.2	176.1	0	0	0	0	0	115.2	N329 G330 A348	N329-G346 PolarHBondContact O-N 3.14Å; G330-G346 PolarHBondContact O-N 3.38Å; G346-A348 PolarHBondContact O-N 2.77Å
347	I	96.1	Very high	96.2	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.046	37%	0.368	C	S	.	.	S	Bend	trans	-82.8	108.8	172.1	-74.9	-175.7	0	0	0	108.1	V300 H305 L307 W325 G330 A332 T344 S345 D349	V300-I347 HydrophobicContact CB-CG2 3.87Å; V300-I347 HydrophobicContact CG2-CG2 4.3Å; H305-I347 HydrophobicContact CB-CG2 4.06Å; L307-I347 HydrophobicContact CB-CD1 3.96Å; W325-I347 PolarHBondContact NE1-O 3.32Å; G330-I347 WeakPolarHBondContact CA-O 3.35Å; G330-I347 PolarHBondContact O-N 2.94Å; A332-I347 HydrophobicContact CB-CB 4.17Å; A332-I347 HydrophobicContact CB-CD1 3.81Å; A332-I347 HydrophobicContact CB-CG1 4.49Å; A332-I347 HydrophobicContact CB-CG2 4.15Å; T344-I347 HydrophobicContact CG2-CD1 3.36Å; T344-I347 HydrophobicContact CG2-CG1 3.89Å; S345-I347 VanDerWaalsContact C-N 3.35Å; I347-D349 VanDerWaalsContact C-N 3.25Å; I347-D349 PolarHBondContact O-N 3.23Å
348	A	94.8	Very high	96.2	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.041	36%	0.355	C	S	.	.	S	Bend	trans	48.2	45.2	177.9	0	0	0	0	0	113.4	V300 H305 W325 G346 R351	V300-A348 HydrophobicContact CG1-CB 4.3Å; H305-A348 PolarHBondContact ND1-N 3.36Å; W325-A348 HydrophobicContact CZ2-CB 4.35Å; W325-A348 WeakPolarHBondContact CZ2-O 3.42Å; G346-A348 PolarHBondContact O-N 2.77Å; A348-R351 HydrophobicContact CB-CB 4.36Å; A348-R351 WeakPolarHBondContact O-CB 3.38Å; A348-R351 PolarHBondContact O-N 3.34Å
349	D	94.1	Very high	96.3	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	150.6	-179.7	62.8	-34.4	0	0	0	112.4	S327 I347 R351	S327-D349 CarbonylContact O-C 3.59Å; I347-D349 VanDerWaalsContact C-N 3.25Å; I347-D349 PolarHBondContact O-N 3.23Å; D349-R351 PolarHBondContact O-N 3.22Å
350	T	93.8	Very high	96.2	Very high	120 Å²	120	49.1 Å²	49.1	74%	0.736	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	10.3	-177.9	67.7	0	0	0	0	115.4	S327	S327-T350 PolarHBondContact O-N 2.91Å
351	R	93.8	Very high	96.2	Very high	89 Å²	89	44.8 Å²	44.8	34%	0.336	29%	0.294	S	S	.	.			trans	-86.9	149	177.4	-170.5	178.2	178.1	79.7	3.6	110.6	N283 E286 W325 S327 A348 D349	N283-R351 PolarHBondContact ND2-NH2 3.33Å; E286-R351 VanDerWaalsContact CD-NH2 3.32Å; E286-R351 IonicContact OE1-NH2 2.88Å; E286-R351 PolarHBondContact OE1-NH2 2.82Å; E286-R351 IonicContact OE2-CZ 3.48Å; E286-R351 IonicContact OE2-NE 3.19Å; E286-R351 PolarHBondContact OE2-NE 2.88Å; E286-R351 IonicContact OE2-NH2 2.91Å; E286-R351 PolarHBondContact OE2-NH2 2.91Å; W325-R351 WeakPolarHBondContact CH2-O 3.44Å; S327-R351 WeakPolarHBondContact CB-O 3.14Å; A348-R351 HydrophobicContact CB-CB 4.36Å; A348-R351 WeakPolarHBondContact O-CB 3.38Å; A348-R351 PolarHBondContact O-N 3.34Å; D349-R351 PolarHBondContact O-N 3.22Å
352	T	96.8	Very high	96.1	Very high	58 Å²	58	42.5 Å²	42.5	36%	0.356	28%	0.275	S	S	.	.			trans	-108	131.8	162.3	-56.7	0	0	0	0	107.9	T254 H256 P354	T254-T352 HydrophobicContact CG2-CG2 3.83Å; H256-T352 PolarHBondContact CE1-OG1 3.11Å; H256-T352 PolarHBondContact ND1-OG1 3.04Å; T352-P354 WeakPolarHBondContact O-CD 3.27Å
353	I	97.8	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-74.1	120.4	172.2	-63.8	170.6	0	0	0	106.5	T254 L255 F258 Y278 E286 I287 V300 W325	T254-I353 CarbonylContact C-O 3.45Å; T254-I353 VanDerWaalsContact CA-O 3.27Å; T254-I353 WeakPolarHBondContact CA-O 3.46Å; L255-I353 HydrophobicContact CB-CB 4.11Å; L255-I353 HydrophobicContact CB-CD1 4.4Å; L255-I353 PolarHBondContact N-O 3.44Å; L255-I353 PolarHBondContact O-N 3Å; F258-I353 HydrophobicContact CD1-CD1 3.71Å; F258-I353 HydrophobicContact CE1-CD1 3.69Å; Y278-I353 HydrophobicContact CD1-CG2 4.03Å; Y278-I353 HydrophobicContact CE1-CG2 3.63Å; E286-I353 HydrophobicContact CB-CG2 4.29Å; I287-I353 HydrophobicContact CD1-CD1 3.81Å; I287-I353 HydrophobicContact CD1-CG2 4.38Å; I287-I353 HydrophobicContact CG1-CD1 3.77Å; I287-I353 HydrophobicContact CG1-CG2 4.48Å; V300-I353 HydrophobicContact CG1-CD1 4.1Å; W325-I353 HydrophobicContact CE3-CD1 3.81Å; W325-I353 HydrophobicContact CH2-CD1 4.2Å; W325-I353 HydrophobicContact CH2-CG1 4.07Å; W325-I353 HydrophobicContact CZ3-CD1 3.56Å; W325-I353 HydrophobicContact CZ3-CG1 3.86Å
354	P	97.1	Very high	95.8	Very high	43 Å²	43	37.9 Å²	37.9	28%	0.279	24%	0.243	S	C	.	.			trans	-79.1	148.1	-177	30.2	-33.6	0	0	0	111.9	M253 Y278 T280 E286 T352	M253-P354 CarbonylContact O-C 3.26Å; Y278-P354 WeakPolarHBondContact CE1-O 3.41Å; Y278-P354 PolarHBondContact OH-O 3.42Å; T280-P354 HydrophobicContact CG2-CB 4.35Å; T280-P354 HydrophobicContact CG2-CG 3.69Å; E286-P354 WeakPolarHBondContact OE1-CD 3.37Å; E286-P354 WeakPolarHBondContact OE1-CG 3.46Å; T352-P354 WeakPolarHBondContact O-CD 3.27Å
355	D	96.4	Very high	95.4	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	23%	0.229	S	C	.	.	S	Bend	trans	-74.2	177.4	168.1	-171.3	37.8	0	0	0	113	M253 T254 Y278 G357	M253-D355 HydrophobicContact CB-CB 4.45Å; M253-D355 WeakPolarHBondContact CB-OD1 3.44Å; M253-D355 PolarHBondContact N-OD1 3.13Å; T254-D355 VanDerWaalsContact OG1-CB 3.26Å; T254-D355 WeakPolarHBondContact OG1-CB 3.06Å; Y278-D355 WeakPolarHBondContact OH-CA 3.45Å; D355-G357 VanDerWaalsContact C-N 3.34Å
356	G	93.3	Very high	94.6	Very high	64 Å²	64	34.8 Å²	34.8	66%	0.66	22%	0.218	S	C	*	.	S	Bend	trans	79.8	16.9	177	0	0	0	0	0	113.7
357	G	94.1	Very high	93.5	Very high	26 Å²	26	33.9 Å²	33.9	27%	0.268	21%	0.208	S	C	.	.			trans	-89.1	-173.3	174.3	0	0	0	0	0	113.9	Y278 G279 D355	Y278-G357 WeakPolarHBondContact OH-CA 3.38Å; Y278-G357 PolarHBondContact OH-N 2.76Å; Y278-G357 VanDerWaalsContact OH-N 3.14Å; G279-G357 CarbonylContact O-C 3.59Å; G279-G357 WeakPolarHBondContact O-CA 3.46Å; D355-G357 VanDerWaalsContact C-N 3.34Å
358	I	95.5	Very high	92.4	Very high	34 Å²	34	37.8 Å²	37.8	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.7	175.2	-64.2	167.2	0	0	0	107.2	Y278 G279 K365 V370	Y278-I358 WeakPolarHBondContact CA-O 3.33Å; G279-I358 PolarHBondContact N-O 3.22Å; G279-I358 PolarHBondContact O-N 3Å; I358-K365 HydrophobicContact CB-CG 4.45Å; I358-V370 HydrophobicContact CD1-CG2 3.84Å; I358-V370 HydrophobicContact CG1-CG2 4.13Å; I358-V370 HydrophobicContact CG2-CG2 3.92Å
359	L	96.9	Very high	91.7	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.1	169.6	179.4	65.2	0	0	0	109.6	V247 P249 F276 Y278 F387 I415	V247-L359 HydrophobicContact CB-CB 4.3Å; V247-L359 HydrophobicContact CB-CD2 3.83Å; V247-L359 HydrophobicContact CB-CG 3.88Å; V247-L359 HydrophobicContact CG1-CD2 3.73Å; V247-L359 HydrophobicContact CG1-CG 4.35Å; V247-L359 HydrophobicContact CG2-CD2 4.48Å; V247-L359 HydrophobicContact CG2-CG 4.34Å; V247-L359 PolarHBondContact N-O 2.82Å; P249-L359 HydrophobicContact CG-CD2 4.2Å; F276-L359 HydrophobicContact CD2-CD1 3.94Å; Y278-L359 HydrophobicContact CD2-CB 3.96Å; L359-F387 HydrophobicContact CD2-CE1 4.14Å; L359-F387 HydrophobicContact CD2-CZ 4.34Å; L359-I415 HydrophobicContact CD2-CD1 3.2Å; L359-I415 HydrophobicContact CD2-CG1 4.29Å
360	Q	96.4	Very high	91	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.1	-179.4	55.8	178.6	35.3	0	0	111.6	G245 F276 S277 Q363 E364 K365 F374	G245-Q360 CarbonylContact O-C 3.49Å; G245-Q360 WeakPolarHBondContact O-CA 3.29Å; G245-Q360 WeakPolarHBondContact O-CB 3.47Å; F276-Q360 CarbonylContact C-O 3.56Å; F276-Q360 VanDerWaalsContact CA-O 3.27Å; F276-Q360 WeakPolarHBondContact CA-O 3.16Å; S277-Q360 PolarHBondContact N-O 2.97Å; S277-Q360 PolarHBondContact O-N 2.88Å; Q360-Q363 PolarHBondContact NE2-O 3.38Å; Q360-E364 PolarHBondContact NE2-O 3.5Å; Q360-K365 HydrophobicContact CG-CB 4.45Å; Q360-K365 VanDerWaalsContact NE2-CA 3.33Å; Q360-F374 VanDerWaalsContact NE2-CE1 3.3Å; Q360-F374 VanDerWaalsContact OE1-CZ 3.23Å
361	I	97.9	Very high	90.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.6	176.9	53.5	171.8	0	0	0	110.6	I234 F236 F244 G245 V247 V275 F276 Q363 L384 F387 V422	I234-I361 HydrophobicContact CD1-CD1 3.78Å; F236-I361 HydrophobicContact CE2-CD1 4.34Å; F236-I361 HydrophobicContact CZ-CB 4.43Å; F236-I361 HydrophobicContact CZ-CD1 3.82Å; F236-I361 HydrophobicContact CZ-CG1 3.92Å; F244-I361 WeakPolarHBondContact CA-O 3.34Å; G245-I361 VanDerWaalsContact CA-CG1 3.49Å; G245-I361 PolarHBondContact N-O 3.13Å; G245-I361 WeakPolarHBondContact O-CG1 3.36Å; G245-I361 PolarHBondContact O-N 3.41Å; V247-I361 HydrophobicContact CG2-CG1 4.38Å; V247-I361 HydrophobicContact CG2-CG2 3.97Å; V275-I361 CarbonylContact O-C 3.52Å; V275-I361 WeakPolarHBondContact O-CA 3.05Å; F276-I361 HydrophobicContact CB-CG2 3.91Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 3.42Å; I361-L384 HydrophobicContact CB-CD2 4.11Å; I361-L384 HydrophobicContact CD1-CD1 3.98Å; I361-L384 HydrophobicContact CD1-CD2 4.05Å; I361-F387 HydrophobicContact CG2-CD1 4.21Å; I361-F387 HydrophobicContact CG2-CE1 4.17Å; I361-V422 HydrophobicContact CD1-CG1 3.66Å; I361-V422 HydrophobicContact CG1-CG1 4.44Å
362	G	96.9	Very high	89.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	81	-2.3	175.1	0	0	0	0	0	116.7	V274 V275 A379 F380	V274-G362 CarbonylContact O-C 3.52Å; V274-G362 WeakPolarHBondContact O-CA 3.29Å; V275-G362 PolarHBondContact O-N 3.28Å; G362-A379 WeakPolarHBondContact O-CA 3.48Å; G362-F380 PolarHBondContact O-N 3.03Å
363	Q	95.8	Very high	88.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-143.9	154.8	179	-69.3	-64.7	-10.4	0	0	112.4	S240 I243 F244 V274 S277 Q360 I361 F374 D375 A379	S240-Q363 PolarHBondContact O-NE2 3.46Å; I243-Q363 WeakPolarHBondContact O-CG 3.21Å; I243-Q363 PolarHBondContact O-NE2 2.9Å; I243-Q363 VanDerWaalsContact O-NE2 3.11Å; F244-Q363 HydrophobicContact CB-CB 4.23Å; F244-Q363 HydrophobicContact CB-CG 3.65Å; V274-Q363 VanDerWaalsContact CG1-O 3.32Å; V274-Q363 WeakPolarHBondContact CG1-O 3.3Å; S277-Q363 PolarHBondContact OG-O 3.29Å; Q360-Q363 PolarHBondContact NE2-O 3.38Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 3.42Å; Q363-F374 HydrophobicContact CB-CD1 3.84Å; Q363-F374 HydrophobicContact CB-CD2 4.08Å; Q363-F374 HydrophobicContact CB-CE1 3.85Å; Q363-F374 HydrophobicContact CB-CE2 4.06Å; Q363-F374 HydrophobicContact CB-CG 3.97Å; Q363-F374 HydrophobicContact CB-CZ 3.95Å; Q363-F374 HydrophobicContact CG-CB 4.38Å; Q363-F374 HydrophobicContact CG-CD1 4.23Å; Q363-F374 HydrophobicContact CG-CD2 3.62Å; Q363-F374 HydrophobicContact CG-CE1 4.44Å; Q363-F374 HydrophobicContact CG-CE2 3.83Å; Q363-F374 HydrophobicContact CG-CG 3.82Å; Q363-F374 HydrophobicContact CG-CZ 4.25Å; Q363-D375 PolarHBondContact OE1-O 3.18Å; Q363-A379 VanDerWaalsContact NE2-CB 3.27Å
364	E	94.1	Very high	88.5	Confident	14 Å²	14	33.9 Å²	33.9	7%	0.065	25%	0.247	C	C	.	.			trans	-75.5	133.4	169.4	-173.1	163.3	-107.4	0	0	111.7	K272 V274 S277 Y285 Q288 Q360 N366 F374 L378	K272-E364 IonicContact NZ-OE1 2.66Å; K272-E364 PolarHBondContact NZ-OE1 3.18Å; V274-E364 HydrophobicContact CG2-CB 4.02Å; S277-E364 WeakPolarHBondContact OG-CA 3.29Å; Y285-E364 WeakPolarHBondContact CE1-OE1 3.34Å; Q288-E364 PolarHBondContact NE2-OE1 3.06Å; Q360-E364 PolarHBondContact NE2-O 3.5Å; E364-N366 HydrophobicContact CG-CB 4.21Å; E364-N366 PolarHBondContact O-N 2.92Å; E364-N366 PolarHBondContact O-OD1 3.4Å; E364-F374 WeakPolarHBondContact O-CD1 3.44Å; E364-F374 WeakPolarHBondContact O-CE1 3.41Å; E364-L378 HydrophobicContact CB-CD1 3.91Å; E364-L378 WeakPolarHBondContact OE2-CD1 3.42Å
365	K	89.8	Confident	88.3	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.043	25%	0.25	C	S	.	.			trans	-76.8	90.3	170.6	-179.2	-94.3	108.1	84.1	0	108.1	S277 G279 T280 P284 I358 Q360 G367	S277-K365 PolarHBondContact OG-N 2.94Å; G279-K365 VanDerWaalsContact CA-CD 3.43Å; T280-K365 WeakPolarHBondContact O-CE 3.48Å; T280-K365 PolarHBondContact O-NZ 3.25Å; P284-K365 VanDerWaalsContact CA-CE 3.47Å; P284-K365 HydrophobicContact CB-CD 4.03Å; P284-K365 VanDerWaalsContact CB-CE 3.49Å; P284-K365 WeakPolarHBondContact CB-O 3.38Å; I358-K365 HydrophobicContact CB-CG 4.45Å; Q360-K365 HydrophobicContact CG-CB 4.45Å; Q360-K365 VanDerWaalsContact NE2-CA 3.33Å; K365-G367 PolarHBondContact NZ-O 3.14Å
366	N	80.3	Confident	88.3	Confident	57 Å²	57	36.4 Å²	36.4	31%	0.305	26%	0.255	S	S	.	.			trans	-122.7	2.3	180	62.1	0.5	0	0	0	113.7	E364 G372 G373	E364-N366 HydrophobicContact CG-CB 4.21Å; E364-N366 PolarHBondContact O-N 2.92Å; E364-N366 PolarHBondContact O-OD1 3.4Å; N366-G372 PolarHBondContact OD1-O 2.8Å; N366-G373 PolarHBondContact ND2-O 2.98Å; N366-G373 WeakPolarHBondContact OD1-CA 3.1Å; N366-G373 PolarHBondContact OD1-O 2.85Å
367	G	72.2	Confident	88.4	Confident	18 Å²	18	35.8 Å²	35.8	19%	0.186	24%	0.244	C	C	.	.	S	Bend	trans	-107.5	175.7	175.1	0	0	0	0	0	115.3	K365 C369 G372	K365-G367 PolarHBondContact NZ-O 3.14Å; G367-C369 VanDerWaalsContact C-N 3.26Å; G367-C369 PolarHBondContact O-N 2.77Å; G367-G372 WeakPolarHBondContact CA-O 3.16Å; G367-G372 PolarHBondContact N-O 2.85Å
368	C	73.6	Confident	88.5	Confident	91 Å²	91	35.6 Å²	35.6	62%	0.615	24%	0.237	S	C	*	.	S	Bend	trans	-70.6	-23.2	174.1	62.9	0	0	0	0	113.9
369	C	79.4	Confident	88.6	Confident	70 Å²	70	34 Å²	34	47%	0.473	23%	0.228	S	C	.	.	S	Bend	trans	-146.6	152.2	-151.6	-50.3	0	0	0	0	108.6	G367 G371 G372	G367-C369 VanDerWaalsContact C-N 3.26Å; G367-C369 PolarHBondContact O-N 2.77Å; C369-G371 PolarHBondContact O-N 3.23Å; C369-G372 PolarHBondContact O-N 3.19Å
370	V	79.4	Confident	88.7	Confident	73 Å²	73	33.9 Å²	33.9	44%	0.442	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	132.8	177.2	-178.7	0	0	0	0	109.4	F244 I358 G372	F244-V370 HydrophobicContact CE2-CG1 3.59Å; F244-V370 HydrophobicContact CZ-CG1 3.99Å; I358-V370 HydrophobicContact CD1-CG2 3.84Å; I358-V370 HydrophobicContact CG1-CG2 4.13Å; I358-V370 HydrophobicContact CG2-CG2 3.92Å; V370-G372 VanDerWaalsContact C-N 3.33Å; V370-G372 PolarHBondContact O-N 2.6Å
371	G	76	Confident	88.7	Confident	35 Å²	35	33.9 Å²	33.9	36%	0.361	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	4.6	179.6	0	0	0	0	0	115.9	C369 F374	C369-G371 PolarHBondContact O-N 3.23Å; G371-F374 VanDerWaalsContact CA-CE2 3.46Å; G371-F374 VanDerWaalsContact CA-CZ 3.49Å
372	G	77.6	Confident	88.7	Confident	24 Å²	24	33.9 Å²	33.9	25%	0.247	23%	0.228	C	C	.	.			trans	-106	143.6	-175.7	0	0	0	0	0	114.3	N366 G367 C369 V370	N366-G372 PolarHBondContact OD1-O 2.8Å; G367-G372 WeakPolarHBondContact CA-O 3.16Å; G367-G372 PolarHBondContact N-O 2.85Å; C369-G372 PolarHBondContact O-N 3.19Å; V370-G372 VanDerWaalsContact C-N 3.33Å; V370-G372 PolarHBondContact O-N 2.6Å
373	G	83	Confident	88.7	Confident	56 Å²	56	36.4 Å²	36.4	58%	0.577	24%	0.239	S	C	*	.	S	Bend	trans	86.4	-0.1	170.1	0	0	0	0	0	116.1	N366	N366-G373 PolarHBondContact ND2-O 2.98Å; N366-G373 WeakPolarHBondContact OD1-CA 3.1Å; N366-G373 PolarHBondContact OD1-O 2.85Å
374	F	92.8	Very high	88.8	Confident	16 Å²	16	36.4 Å²	36.4	7%	0.07	24%	0.239	C	C	.	.			trans	-63.3	146.1	-169.6	-60.2	-20.2	0	0	0	114.8	K241 F244 Q360 Q363 E364 G371	K241-F374 HydrophobicContact CB-CB 4.25Å; K241-F374 VanDerWaalsContact CD-O 3.3Å; K241-F374 WeakPolarHBondContact CD-O 3.2Å; K241-F374 WeakPolarHBondContact CG-O 3.47Å; K241-F374 WeakPolarHBondContact O-CD2 3.32Å; F244-F374 HydrophobicContact CB-CE2 3.91Å; F244-F374 HydrophobicContact CB-CZ 4.43Å; F244-F374 HydrophobicContact CD1-CD2 4.35Å; F244-F374 AromaticContact CD1-CE2 3.52Å; F244-F374 HydrophobicContact CD1-CE2 3.52Å; F244-F374 HydrophobicContact CD1-CZ 4.41Å; F244-F374 HydrophobicContact CD2-CE2 4.12Å; F244-F374 HydrophobicContact CD2-CZ 4.24Å; F244-F374 AromaticContact CE1-CE2 3.98Å; F244-F374 HydrophobicContact CE1-CE2 3.98Å; F244-F374 AromaticContact CG-CE2 3.59Å; F244-F374 HydrophobicContact CG-CE2 3.59Å; F244-F374 HydrophobicContact CG-CZ 4.13Å; F244-F374 HydrophobicContact CZ-CE2 4.47Å; Q360-F374 VanDerWaalsContact NE2-CE1 3.3Å; Q360-F374 VanDerWaalsContact OE1-CZ 3.23Å; Q363-F374 HydrophobicContact CB-CD1 3.84Å; Q363-F374 HydrophobicContact CB-CD2 4.08Å; Q363-F374 HydrophobicContact CB-CE1 3.85Å; Q363-F374 HydrophobicContact CB-CE2 4.06Å; Q363-F374 HydrophobicContact CB-CG 3.97Å; Q363-F374 HydrophobicContact CB-CZ 3.95Å; Q363-F374 HydrophobicContact CG-CB 4.38Å; Q363-F374 HydrophobicContact CG-CD1 4.23Å; Q363-F374 HydrophobicContact CG-CD2 3.62Å; Q363-F374 HydrophobicContact CG-CE1 4.44Å; Q363-F374 HydrophobicContact CG-CE2 3.83Å; Q363-F374 HydrophobicContact CG-CG 3.82Å; Q363-F374 HydrophobicContact CG-CZ 4.25Å; E364-F374 WeakPolarHBondContact O-CD1 3.44Å; E364-F374 WeakPolarHBondContact O-CE1 3.41Å; G371-F374 VanDerWaalsContact CA-CE2 3.46Å; G371-F374 VanDerWaalsContact CA-CZ 3.49Å
375	D	93.5	Very high	88.8	Confident	64 Å²	64	35.7 Å²	35.7	34%	0.342	24%	0.236	S	C	.	.			trans	-115.7	128.9	175.8	-170.9	1.3	0	0	0	110.4	Q363 A377 L378 A379	Q363-D375 PolarHBondContact OE1-O 3.18Å; D375-A377 PolarHBondContact O-N 3.06Å; D375-A377 PolarHBondContact OD1-N 2.73Å; D375-A377 VanDerWaalsContact OD1-N 3.13Å; D375-L378 HydrophobicContact CB-CB 4.45Å; D375-L378 HydrophobicContact CB-CD1 4.09Å; D375-L378 HydrophobicContact CB-CG 4Å; D375-L378 PolarHBondContact O-N 3.42Å; D375-A379 PolarHBondContact O-N 3.18Å
376	E	95.1	Very high	89.1	Confident	103 Å²	103	35.4 Å²	35.4	48%	0.481	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-64.5	-33.1	-179.8	-166.8	174.3	157.4	0	0	111.1	R239 K241 L378 A379	R239-E376 HydrophobicContact CB-CG 4.41Å; R239-E376 PolarHBondContact NE-O 3.09Å; K241-E376 HydrophobicContact CD-CB 4.49Å; K241-E376 HydrophobicContact CG-CB 3.86Å; E376-L378 PolarHBondContact O-N 3.05Å; E376-L378 VanDerWaalsContact O-N 3.14Å; E376-A379 WeakPolarHBondContact O-CB 3.22Å; E376-A379 PolarHBondContact O-N 3.31Å
377	A	95.8	Very high	89.9	Confident	51 Å²	51	32.8 Å²	32.8	42%	0.421	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.9	176.1	0	0	0	0	0	112.5	R239 D375	R239-A377 PolarHBondContact NH2-O 2.83Å; D375-A377 PolarHBondContact O-N 3.06Å; D375-A377 PolarHBondContact OD1-N 2.73Å; D375-A377 VanDerWaalsContact OD1-N 3.13Å
378	L	96.5	Very high	91.1	Very high	23 Å²	23	32 Å²	32	12%	0.12	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-104.8	-12.6	177.9	-56.5	-176.4	0	0	0	113.7	K272 T273 V274 E364 D375 E376	K272-L378 HydrophobicContact CB-CD2 3.71Å; K272-L378 HydrophobicContact CD-CD2 3.89Å; K272-L378 HydrophobicContact CG-CD2 3.89Å; T273-L378 WeakPolarHBondContact CA-O 3.32Å; V274-L378 HydrophobicContact CG2-CB 4.35Å; V274-L378 PolarHBondContact N-O 3.49Å; E364-L378 HydrophobicContact CB-CD1 3.91Å; E364-L378 WeakPolarHBondContact OE2-CD1 3.42Å; D375-L378 HydrophobicContact CB-CB 4.45Å; D375-L378 HydrophobicContact CB-CD1 4.09Å; D375-L378 HydrophobicContact CB-CG 4Å; D375-L378 PolarHBondContact O-N 3.42Å; E376-L378 PolarHBondContact O-N 3.05Å; E376-L378 VanDerWaalsContact O-N 3.14Å
379	A	97.6	Very high	92.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.185	C	C	.	.			trans	-66.2	141	-170.1	0	0	0	0	0	113.5	R239 G362 Q363 D375 E376	R239-A379 HydrophobicContact CB-CB 4.11Å; R239-A379 PolarHBondContact NE-O 3.35Å; R239-A379 PolarHBondContact NH1-O 3.13Å; R239-A379 VanDerWaalsContact NH1-O 3.12Å; R239-A379 PolarHBondContact NH2-O 3.14Å; R239-A379 VanDerWaalsContact NH2-O 3.14Å; G362-A379 WeakPolarHBondContact O-CA 3.48Å; Q363-A379 VanDerWaalsContact NE2-CB 3.27Å; D375-A379 PolarHBondContact O-N 3.18Å; E376-A379 WeakPolarHBondContact O-CB 3.22Å; E376-A379 PolarHBondContact O-N 3.31Å
380	F	98.4	Very high	93.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	17%	0.165	C	C	.	.			trans	-77.1	144.2	170.3	-176.9	-101.9	0	0	0	111.8	F236 I264 V266 T273 V274 V275 G362 L384	F236-F380 HydrophobicContact CB-CD1 3.88Å; F236-F380 HydrophobicContact CB-CE1 4.37Å; F236-F380 HydrophobicContact CD1-CD1 4.29Å; F236-F380 AromaticContact CD2-CD1 3.66Å; F236-F380 HydrophobicContact CD2-CD1 3.66Å; F236-F380 AromaticContact CD2-CE1 3.84Å; F236-F380 HydrophobicContact CD2-CE1 3.84Å; F236-F380 HydrophobicContact CE2-CD1 4.3Å; F236-F380 AromaticContact CG-CD1 3.68Å; F236-F380 HydrophobicContact CG-CD1 3.68Å; F236-F380 HydrophobicContact CG-CE1 4.25Å; I264-F380 HydrophobicContact CB-CE2 4.45Å; I264-F380 HydrophobicContact CB-CZ 4.33Å; V266-F380 HydrophobicContact CB-CE2 4Å; V266-F380 HydrophobicContact CG2-CD2 4.32Å; V266-F380 HydrophobicContact CG2-CE2 3.95Å; T273-F380 HydrophobicContact CG2-CB 4.4Å; T273-F380 HydrophobicContact CG2-CD2 4.17Å; V274-F380 WeakPolarHBondContact O-CB 3.35Å; V275-F380 HydrophobicContact CG2-CD2 4.49Å; G362-F380 PolarHBondContact O-N 3.03Å; F380-L384 HydrophobicContact CE1-CD2 4.41Å
381	S	98	Very high	94.1	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	16%	0.162	C	C	.	.			trans	-136.3	135.7	166.1	67	0	0	0	0	109.2	V266 T267	V266-S381 WeakPolarHBondContact CG2-O 3.18Å; T267-S381 PolarHBondContact N-O 3.5Å
382	G	97.1	Very high	95.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.2	-158.2	-171.6	0	0	0	0	0	112.9	F236 K265 T267	F236-G382 PolarHBondContact N-O 3.04Å; F236-G382 PolarHBondContact O-N 2.79Å; K265-G382 CarbonylContact O-C 3.56Å; K265-G382 WeakPolarHBondContact O-CA 3.24Å; T267-G382 WeakPolarHBondContact OG1-CA 3.4Å
383	K	97.1	Very high	96.1	Very high	52 Å²	52	30.1 Å²	30.1	23%	0.226	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.6	176.9	-59.3	-178	-179.3	-172	0	110.2	Q223 I234 L235 I264 K265 W318	Q223-K383 PolarHBondContact O-NZ 2.89Å; Q223-K383 VanDerWaalsContact O-NZ 3.11Å; I234-K383 WeakPolarHBondContact O-CA 3.38Å; L235-K383 HydrophobicContact CD1-CG 3.8Å; I264-K383 CarbonylContact C-O 3.5Å; I264-K383 WeakPolarHBondContact CA-O 3.14Å; K265-K383 HydrophobicContact CB-CB 4.4Å; K265-K383 PolarHBondContact N-O 2.91Å; K265-K383 PolarHBondContact O-N 3.23Å; W318-K383 HydrophobicContact CH2-CB 3.59Å; W318-K383 HydrophobicContact CZ2-CB 4.01Å; W318-K383 HydrophobicContact CZ2-CD 4.27Å; W318-K383 HydrophobicContact CZ3-CB 4.42Å
384	L	96.7	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151	167.2	65.3	84.2	0	0	0	111.4	A233 I234 F236 I262 W263 I264 I361 F380 W417	A233-L384 CarbonylContact C-O 3.53Å; A233-L384 VanDerWaalsContact CA-O 3.25Å; A233-L384 WeakPolarHBondContact CA-O 3.38Å; A233-L384 VanDerWaalsContact CB-O 3.32Å; A233-L384 WeakPolarHBondContact CB-O 3.38Å; I234-L384 HydrophobicContact CB-CD1 4.23Å; I234-L384 HydrophobicContact CB-CG 4.44Å; I234-L384 HydrophobicContact CD1-CD1 4.4Å; I234-L384 PolarHBondContact N-O 2.88Å; I234-L384 PolarHBondContact O-N 3.19Å; F236-L384 HydrophobicContact CD2-CD2 4.3Å; F236-L384 HydrophobicContact CE2-CD2 3.48Å; F236-L384 VanDerWaalsContact CE2-CD2 3.48Å; F236-L384 HydrophobicContact CE2-CG 3.86Å; F236-L384 HydrophobicContact CZ-CD2 4.04Å; I262-L384 HydrophobicContact CD1-CB 4.15Å; I262-L384 HydrophobicContact CD1-CD1 4.34Å; I262-L384 HydrophobicContact CD1-CD2 4.31Å; I262-L384 HydrophobicContact CG1-CB 4.48Å; W263-L384 CarbonylContact O-C 3.46Å; W263-L384 WeakPolarHBondContact O-CA 3.4Å; I264-L384 HydrophobicContact CG2-CB 4.01Å; I361-L384 HydrophobicContact CB-CD2 4.11Å; I361-L384 HydrophobicContact CD1-CD1 3.98Å; I361-L384 HydrophobicContact CD1-CD2 4.05Å; F380-L384 HydrophobicContact CE1-CD2 4.41Å; L384-W417 HydrophobicContact CD1-CH2 4.01Å; L384-W417 HydrophobicContact CD1-CZ3 4.02Å
385	T	95.9	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	171.8	176	-171.5	0	0	0	0	110.2	P227 C230 T232 W263 W318 F387 W417	P227-T385 HydrophobicContact CG-CG2 3.77Å; C230-T385 HydrophobicContact CB-CG2 4.16Å; C230-T385 WeakPolarHBondContact CB-OG1 3.16Å; T232-T385 WeakPolarHBondContact O-CB 3.47Å; T232-T385 PolarHBondContact O-OG1 2.66Å; W263-T385 HydrophobicContact CB-CG2 3.7Å; W263-T385 WeakPolarHBondContact CB-O 3.44Å; W263-T385 HydrophobicContact CG-CG2 4.44Å; W263-T385 PolarHBondContact N-O 3.03Å; W263-T385 PolarHBondContact O-N 3.22Å; W318-T385 HydrophobicContact CH2-CG2 4.02Å; W318-T385 HydrophobicContact CZ3-CG2 4.01Å; T385-F387 PolarHBondContact O-N 3.14Å; T385-W417 PolarHBondContact OG1-NE1 2.99Å
386	G	95.1	Very high	97.2	Very high	4 Å²	4	33 Å²	33	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	33.1	174.7	0	0	0	0	0	113.7	N388	G386-N388 PolarHBondContact O-N 2.93Å
387	F	97.4	Very high	97.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	109.8	176.6	-177.1	-142.8	0	0	0	109.5	V247 A260 C261 I262 F276 L359 I361 T385 I415 W417	V247-F387 HydrophobicContact CG1-CE1 4.43Å; V247-F387 HydrophobicContact CG2-CE1 4.25Å; A260-F387 HydrophobicContact CB-CE2 4.49Å; C261-F387 WeakPolarHBondContact O-CA 3.47Å; I262-F387 HydrophobicContact CB-CD2 4.04Å; I262-F387 HydrophobicContact CD1-CB 3.95Å; I262-F387 HydrophobicContact CD1-CD2 3.98Å; I262-F387 HydrophobicContact CD1-CG 4.03Å; I262-F387 HydrophobicContact CG1-CB 4.03Å; I262-F387 HydrophobicContact CG1-CD2 4.25Å; I262-F387 HydrophobicContact CG1-CG 4.44Å; F276-F387 HydrophobicContact CB-CZ 4.37Å; F276-F387 AromaticContact CD1-CE2 3.88Å; F276-F387 HydrophobicContact CD1-CE2 3.88Å; F276-F387 HydrophobicContact CD1-CZ 4.09Å; F276-F387 HydrophobicContact CD2-CZ 4.27Å; F276-F387 AromaticContact CE1-CE2 3.99Å; F276-F387 HydrophobicContact CE1-CE2 3.99Å; F276-F387 HydrophobicContact CE1-CZ 4.44Å; F276-F387 HydrophobicContact CG-CE2 4.27Å; F276-F387 HydrophobicContact CG-CZ 4.01Å; L359-F387 HydrophobicContact CD2-CE1 4.14Å; L359-F387 HydrophobicContact CD2-CZ 4.34Å; I361-F387 HydrophobicContact CG2-CD1 4.21Å; I361-F387 HydrophobicContact CG2-CE1 4.17Å; T385-F387 PolarHBondContact O-N 3.14Å; F387-I415 HydrophobicContact CD1-CD1 4.3Å; F387-I415 HydrophobicContact CD1-CG2 4.08Å; F387-I415 HydrophobicContact CE1-CD1 3.53Å; F387-I415 HydrophobicContact CE1-CG2 4.35Å; F387-I415 HydrophobicContact CE2-CD1 4.45Å; F387-I415 HydrophobicContact CZ-CD1 3.62Å; F387-I415 WeakPolarHBondContact O-CG2 3.34Å; F387-W417 HydrophobicContact CB-CE3 3.96Å; F387-W417 HydrophobicContact CB-CZ3 4.25Å; F387-W417 PolarHBondContact O-N 3.05Å
388	N	97.4	Very high	97.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.4	179.2	-73.1	-55.9	0	0	0	110.6	A260 C261 G386 W390 I410 G412 I415 G416 W417	A260-N388 CarbonylContact C-O 3.51Å; A260-N388 WeakPolarHBondContact CA-O 3.41Å; C261-N388 PolarHBondContact N-O 3.29Å; C261-N388 PolarHBondContact O-N 3.02Å; G386-N388 PolarHBondContact O-N 2.93Å; N388-W390 HydrophobicContact CB-CE3 4.48Å; N388-W390 HydrophobicContact CB-CH2 3.3Å; N388-W390 HydrophobicContact CB-CZ2 4.09Å; N388-W390 HydrophobicContact CB-CZ3 3.55Å; N388-I410 PolarHBondContact ND2-O 3.35Å; N388-G412 PolarHBondContact OD1-N 3.34Å; N388-I415 CarbonylContact C-O 3.57Å; N388-I415 VanDerWaalsContact CA-O 3.24Å; N388-I415 WeakPolarHBondContact CA-O 3.33Å; N388-I415 PolarHBondContact OD1-O 3.49Å; N388-G416 VanDerWaalsContact OD1-CA 3.31Å; N388-G416 WeakPolarHBondContact OD1-CA 3.29Å; N388-W417 PolarHBondContact OD1-N 3.14Å
389	M	98.4	Very high	97.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.1	177.7	-171	174.1	178.3	0	0	112.3	M253 L255 F258 T259 A260 I287 G412 N413 I414 I415	M253-M389 HydrophobicContact CE-CE 4Å; M253-M389 HydrophobicContact CE-SD 4.19Å; M253-M389 HydrophobicContact SD-SD 4.49Å; L255-M389 HydrophobicContact CD1-CE 3.4Å; L255-M389 VanDerWaalsContact CD1-CE 3.4Å; F258-M389 HydrophobicContact CB-CE 3.7Å; F258-M389 HydrophobicContact CD1-CE 4.48Å; F258-M389 HydrophobicContact CD2-CE 4.02Å; F258-M389 HydrophobicContact CG-CE 3.83Å; T259-M389 CarbonylContact O-C 3.54Å; T259-M389 VanDerWaalsContact O-CA 3.23Å; T259-M389 WeakPolarHBondContact O-CA 3.26Å; T259-M389 WeakPolarHBondContact O-CG 3.47Å; A260-M389 HydrophobicContact CB-CG 4.22Å; I287-M389 HydrophobicContact CD1-CE 3.7Å; M389-G412 CarbonylContact O-C 3.59Å; M389-G412 WeakPolarHBondContact O-CA 3.38Å; M389-N413 PolarHBondContact O-N 3.47Å; M389-I414 HydrophobicContact CB-CB 4.31Å; M389-I414 HydrophobicContact CG-CB 4.32Å; M389-I414 HydrophobicContact CG-CG2 4.46Å; M389-I414 WeakPolarHBondContact O-CB 3.27Å; M389-I414 PolarHBondContact O-N 3.06Å; M389-I414 HydrophobicContact SD-CG2 4.35Å; M389-I415 HydrophobicContact CB-CB 3.83Å; M389-I415 HydrophobicContact CB-CD1 3.66Å; M389-I415 HydrophobicContact CB-CG1 3.82Å; M389-I415 HydrophobicContact CG-CD1 4.43Å; M389-I415 PolarHBondContact N-O 3.07Å; M389-I415 PolarHBondContact O-N 3.37Å; M389-I415 VanDerWaalsContact O-N 3.16Å; M389-I415 HydrophobicContact SD-CD1 3.96Å
390	W	98.4	Very high	97.1	Very high	17 Å²	17	35.6 Å²	35.6	6%	0.064	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.9	176.7	-59.5	-101.4	0	0	0	111.5	F258 T259 C261 N388 R392 L394 Q402 I410 R411 G412 N413	F258-W390 CarbonylContact C-O 3.59Å; F258-W390 WeakPolarHBondContact CA-O 3.46Å; F258-W390 VanDerWaalsContact CB-O 3.26Å; F258-W390 WeakPolarHBondContact CB-O 3.31Å; T259-W390 HydrophobicContact CG2-CE3 4.11Å; T259-W390 HydrophobicContact CG2-CZ3 4.44Å; T259-W390 PolarHBondContact N-O 2.74Å; T259-W390 PolarHBondContact O-N 2.83Å; C261-W390 HydrophobicContact CB-CZ3 4.22Å; N388-W390 HydrophobicContact CB-CE3 4.48Å; N388-W390 HydrophobicContact CB-CH2 3.3Å; N388-W390 HydrophobicContact CB-CZ2 4.09Å; N388-W390 HydrophobicContact CB-CZ3 3.55Å; W390-R392 HydrophobicContact CB-CG 4.3Å; W390-R392 PolarHBondContact O-N 3.44Å; W390-L394 HydrophobicContact CB-CD2 4.47Å; W390-L394 HydrophobicContact CD2-CD1 3.84Å; W390-L394 HydrophobicContact CD2-CD2 4.07Å; W390-L394 HydrophobicContact CD2-CG 4.17Å; W390-L394 HydrophobicContact CE3-CD1 3.75Å; W390-L394 HydrophobicContact CE3-CG 4.29Å; W390-L394 HydrophobicContact CG-CD2 3.96Å; W390-L394 HydrophobicContact CG-CG 4.41Å; W390-L394 HydrophobicContact CH2-CD1 4.03Å; W390-L394 HydrophobicContact CZ2-CD1 4.11Å; W390-L394 HydrophobicContact CZ3-CD1 3.85Å; W390-Q402 HydrophobicContact CH2-CG 3.96Å; W390-I410 HydrophobicContact CZ2-CG2 4.43Å; W390-R411 PolarHBondContact NE1-O 3.31Å; W390-G412 VanDerWaalsContact CE2-CA 3.44Å; W390-N413 WeakPolarHBondContact CA-OD1 3.45Å
391	D	98	Very high	96.8	Very high	72 Å²	72	40.1 Å²	40.1	39%	0.385	21%	0.205	S	C	.	.	S	Bend	trans	-81.8	7.3	173.5	62.5	-8.2	0	0	0	114.4	L255 S257 N413 I414	L255-D391 HydrophobicContact CD2-CB 3.74Å; S257-D391 CarbonylContact C-O 3.6Å; S257-D391 CarbonylContact O-C 3.57Å; S257-D391 PolarHBondContact OG-O 2.92Å; D391-N413 PolarHBondContact N-OD1 2.95Å; D391-N413 PolarHBondContact OD1-ND2 2.96Å; D391-N413 PolarHBondContact OD1-OD1 2.94Å; D391-N413 PolarHBondContact OD2-ND2 3.43Å; D391-I414 HydrophobicContact CB-CD1 4.05Å; D391-I414 HydrophobicContact CB-CG1 4.05Å
392	R	98.1	Very high	96.6	Very high	101 Å²	101	40.2 Å²	40.2	38%	0.381	21%	0.205	S	C	.	.	S	Bend	trans	-131.5	163.3	178.5	66.7	175.5	-179.5	92.4	-2.5	111.6	F258 T259 W390 L394 E398	F258-R392 CarbonylContact C-O 3.55Å; F258-R392 VanDerWaalsContact C-O 3.31Å; T259-R392 WeakPolarHBondContact CB-O 3.39Å; T259-R392 PolarHBondContact N-O 3.19Å; T259-R392 VanDerWaalsContact N-O 3.12Å; T259-R392 PolarHBondContact OG1-O 3.28Å; W390-R392 HydrophobicContact CB-CG 4.3Å; W390-R392 PolarHBondContact O-N 3.44Å; R392-L394 VanDerWaalsContact NH1-CD2 3.32Å; R392-E398 IonicContact CZ-OE1 3.78Å; R392-E398 IonicContact CZ-OE2 2.68Å; R392-E398 IonicContact NH1-OE1 3.71Å; R392-E398 PolarHBondContact NH1-OE1 3.4Å; R392-E398 IonicContact NH1-OE2 3.42Å; R392-E398 PolarHBondContact NH1-OE2 3.19Å; R392-E398 IonicContact NH2-OE1 3.74Å; R392-E398 PolarHBondContact NH2-OE1 3.11Å; R392-E398 IonicContact NH2-OE2 3.98Å
393	V	98.4	Very high	96.3	Very high	61 Å²	61	41.7 Å²	41.7	37%	0.37	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-75.8	121	165.7	-177.4	0	0	0	0	108.4	T259 T324	T259-V393 WeakPolarHBondContact OG1-CA 3.5Å; T324-V393 HydrophobicContact CG2-CG1 4.19Å
394	L	98.4	Very high	95.6	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.2	149.3	169.1	-64.2	-171.7	0	0	0	109.9	T259 W390 R392 E398 I399 Q402	T259-L394 HydrophobicContact CG2-CB 4.13Å; T259-L394 HydrophobicContact CG2-CD1 3.8Å; T259-L394 HydrophobicContact CG2-CG 3.77Å; T259-L394 PolarHBondContact OG1-N 2.94Å; W390-L394 HydrophobicContact CB-CD2 4.47Å; W390-L394 HydrophobicContact CD2-CD1 3.84Å; W390-L394 HydrophobicContact CD2-CD2 4.07Å; W390-L394 HydrophobicContact CD2-CG 4.17Å; W390-L394 HydrophobicContact CE3-CD1 3.75Å; W390-L394 HydrophobicContact CE3-CG 4.29Å; W390-L394 HydrophobicContact CG-CD2 3.96Å; W390-L394 HydrophobicContact CG-CG 4.41Å; W390-L394 HydrophobicContact CH2-CD1 4.03Å; W390-L394 HydrophobicContact CZ2-CD1 4.11Å; W390-L394 HydrophobicContact CZ3-CD1 3.85Å; R392-L394 VanDerWaalsContact NH1-CD2 3.32Å; L394-E398 WeakPolarHBondContact CA-OE2 3.36Å; L394-E398 HydrophobicContact CB-CB 3.94Å; L394-E398 HydrophobicContact CD1-CB 4.28Å; L394-E398 HydrophobicContact CD2-CB 4.44Å; L394-E398 HydrophobicContact CG-CB 4.45Å; L394-I399 HydrophobicContact CB-CD1 4.27Å; L394-I399 HydrophobicContact CB-CG1 3.74Å; L394-I399 HydrophobicContact CD1-CG1 4.44Å; L394-Q402 HydrophobicContact CD1-CG 4.4Å
395	N	97.3	Very high	94.4	Very high	82 Å²	82	44.6 Å²	44.6	44%	0.439	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-78	169.5	172.1	71.9	49.5	0	0	0	111.8	E397 E398 I399	N395-E397 VanDerWaalsContact C-N 3.29Å; N395-E397 PolarHBondContact O-N 2.92Å; N395-E397 WeakPolarHBondContact OD1-CB 3.38Å; N395-E397 PolarHBondContact OD1-N 3.42Å; N395-E398 PolarHBondContact N-OE2 2.94Å; N395-E398 PolarHBondContact ND2-OE2 3.17Å; N395-E398 PolarHBondContact O-N 3.36Å; N395-E398 WeakPolarHBondContact OD1-CG 3.37Å; N395-E398 PolarHBondContact OD1-N 3.48Å; N395-I399 WeakPolarHBondContact O-CG1 3.32Å; N395-I399 PolarHBondContact O-N 3.43Å
396	D	97	Very high	93.4	Very high	108 Å²	108	48.8 Å²	48.8	58%	0.578	26%	0.26	S	S	*	.	H	α-helix	trans	-58.7	-37.8	-175.4	-65.7	-10.9	0	0	0	113.1	I399 A400	D396-I399 PolarHBondContact O-N 2.99Å; D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 3.31Å
397	E	95.3	Very high	92.8	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	26%	0.26	S	S	*	.	H	α-helix	trans	-69	-44.4	179.1	-165	-175.3	170.1	0	0	111	N395 I399 A400 M401	N395-E397 VanDerWaalsContact C-N 3.29Å; N395-E397 PolarHBondContact O-N 2.92Å; N395-E397 WeakPolarHBondContact OD1-CB 3.38Å; N395-E397 PolarHBondContact OD1-N 3.42Å; E397-I399 VanDerWaalsContact C-N 3.29Å; E397-I399 PolarHBondContact O-N 3.02Å; E397-A400 PolarHBondContact O-N 3.03Å; E397-M401 HydrophobicContact CG-CE 3.94Å; E397-M401 WeakPolarHBondContact O-CG 3.36Å; E397-M401 PolarHBondContact O-N 3.45Å; E397-M401 WeakPolarHBondContact OE1-CE 3.21Å
398	E	96.3	Very high	92.1	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-40.5	175.5	-69.7	178.4	122.6	0	0	111.6	R392 L394 N395 M401 Q402	R392-E398 IonicContact CZ-OE1 3.78Å; R392-E398 IonicContact CZ-OE2 2.68Å; R392-E398 IonicContact NH1-OE1 3.71Å; R392-E398 PolarHBondContact NH1-OE1 3.4Å; R392-E398 IonicContact NH1-OE2 3.42Å; R392-E398 PolarHBondContact NH1-OE2 3.19Å; R392-E398 IonicContact NH2-OE1 3.74Å; R392-E398 PolarHBondContact NH2-OE1 3.11Å; R392-E398 IonicContact NH2-OE2 3.98Å; L394-E398 WeakPolarHBondContact CA-OE2 3.36Å; L394-E398 HydrophobicContact CB-CB 3.94Å; L394-E398 HydrophobicContact CD1-CB 4.28Å; L394-E398 HydrophobicContact CD2-CB 4.44Å; L394-E398 HydrophobicContact CG-CB 4.45Å; N395-E398 PolarHBondContact N-OE2 2.94Å; N395-E398 PolarHBondContact ND2-OE2 3.17Å; N395-E398 PolarHBondContact O-N 3.36Å; N395-E398 WeakPolarHBondContact OD1-CG 3.37Å; N395-E398 PolarHBondContact OD1-N 3.48Å; E398-M401 PolarHBondContact O-N 3.48Å; E398-Q402 WeakPolarHBondContact O-CG 3.19Å; E398-Q402 PolarHBondContact O-N 3.47Å
399	I	96.5	Very high	91.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-41.4	177	-66.6	172.6	0	0	0	111.3	C322 T324 W335 L394 N395 D396 E397 M401 Q402	C322-I399 HydrophobicContact CB-CG2 4.1Å; T324-I399 HydrophobicContact CG2-CD1 4.04Å; W335-I399 HydrophobicContact CB-CG2 3.95Å; W335-I399 HydrophobicContact CD2-CD1 3.86Å; W335-I399 HydrophobicContact CD2-CG2 4.32Å; W335-I399 HydrophobicContact CE3-CD1 4.25Å; W335-I399 HydrophobicContact CG-CD1 4.34Å; W335-I399 HydrophobicContact CG-CG2 3.73Å; W335-I399 HydrophobicContact CH2-CD1 4.05Å; W335-I399 HydrophobicContact CZ2-CD1 3.66Å; W335-I399 HydrophobicContact CZ3-CD1 4.34Å; L394-I399 HydrophobicContact CB-CD1 4.27Å; L394-I399 HydrophobicContact CB-CG1 3.74Å; L394-I399 HydrophobicContact CD1-CG1 4.44Å; N395-I399 WeakPolarHBondContact O-CG1 3.32Å; N395-I399 PolarHBondContact O-N 3.43Å; D396-I399 PolarHBondContact O-N 2.99Å; E397-I399 VanDerWaalsContact C-N 3.29Å; E397-I399 PolarHBondContact O-N 3.02Å; I399-M401 VanDerWaalsContact C-N 3.28Å; I399-M401 PolarHBondContact O-N 3.49Å; I399-Q402 WeakPolarHBondContact O-CB 3.29Å; I399-Q402 PolarHBondContact O-N 3.19Å; I399-Q402 VanDerWaalsContact O-N 3.08Å
400	A	93.8	Very high	91.1	Very high	44 Å²	44	56.3 Å²	56.3	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-42.3	175.1	0	0	0	0	0	111.1	D396 E397 Q402 S403	D396-A400 WeakPolarHBondContact O-CB 3.49Å; D396-A400 PolarHBondContact O-N 3.31Å; E397-A400 PolarHBondContact O-N 3.03Å; A400-Q402 PolarHBondContact O-N 3.43Å; A400-S403 PolarHBondContact O-N 2.84Å; A400-S403 PolarHBondContact O-OG 2.9Å
401	M	92.1	Very high	90.8	Very high	97 Å²	97	61.5 Å²	61.5	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-30.7	174.9	-68.7	-173.9	-170	0	0	113.1	E397 E398 I399 S403 G404 A407 I410	E397-M401 HydrophobicContact CG-CE 3.94Å; E397-M401 WeakPolarHBondContact O-CG 3.36Å; E397-M401 PolarHBondContact O-N 3.45Å; E397-M401 WeakPolarHBondContact OE1-CE 3.21Å; E398-M401 PolarHBondContact O-N 3.48Å; I399-M401 VanDerWaalsContact C-N 3.28Å; I399-M401 PolarHBondContact O-N 3.49Å; M401-S403 PolarHBondContact O-N 2.79Å; M401-G404 PolarHBondContact O-N 3.45Å; M401-G404 VanDerWaalsContact O-N 3.16Å; M401-A407 WeakPolarHBondContact O-CB 3.44Å; M401-I410 HydrophobicContact CB-CD1 3.93Å
402	Q	93.4	Very high	90.8	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.033	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.2	174.5	-63.7	-49	-59.2	0	0	113.9	C261 W263 H320 W390 L394 E398 I399 A400 A407	C261-Q402 HydrophobicContact CB-CB 4.35Å; C261-Q402 HydrophobicContact CB-CG 4.44Å; W263-Q402 PolarHBondContact NE1-O 3.04Å; H320-Q402 VanDerWaalsContact CE1-C 3.44Å; H320-Q402 PolarHBondContact CE1-O 3.48Å; H320-Q402 VanDerWaalsContact CE1-O 3.31Å; H320-Q402 PolarHBondContact NE2-O 3.1Å; H320-Q402 VanDerWaalsContact NE2-O 3.15Å; W390-Q402 HydrophobicContact CH2-CG 3.96Å; L394-Q402 HydrophobicContact CD1-CG 4.4Å; E398-Q402 WeakPolarHBondContact O-CG 3.19Å; E398-Q402 PolarHBondContact O-N 3.47Å; I399-Q402 WeakPolarHBondContact O-CB 3.29Å; I399-Q402 PolarHBondContact O-N 3.19Å; I399-Q402 VanDerWaalsContact O-N 3.08Å; A400-Q402 PolarHBondContact O-N 3.43Å; Q402-A407 WeakPolarHBondContact O-CB 3.36Å
403	S	90.2	Very high	90.7	Very high	32 Å²	32	57.1 Å²	57.1	22%	0.224	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-5	173.7	68.7	0	0	0	0	114.3	W263 H320 S337 G338 A400 M401	W263-S403 WeakPolarHBondContact CZ2-O 3.39Å; H320-S403 WeakPolarHBondContact ND1-CB 3.36Å; S337-S403 PolarHBondContact O-OG 2.83Å; G338-S403 WeakPolarHBondContact CA-OG 3.39Å; A400-S403 PolarHBondContact O-N 2.84Å; A400-S403 PolarHBondContact O-OG 2.9Å; M401-S403 PolarHBondContact O-N 2.79Å
404	G	83.3	Confident	90.7	Very high	30 Å²	30	54.3 Å²	54.3	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	-86.3	177.4	-175.2	0	0	0	0	0	114.6	A228 M401 N406 A407	A228-G404 WeakPolarHBondContact CA-O 3.31Å; A228-G404 WeakPolarHBondContact CB-O 3.46Å; M401-G404 PolarHBondContact O-N 3.45Å; M401-G404 VanDerWaalsContact O-N 3.16Å; G404-N406 PolarHBondContact O-N 3.46Å; G404-A407 WeakPolarHBondContact O-CB 3.46Å; G404-A407 PolarHBondContact O-N 3.42Å; G404-A407 VanDerWaalsContact O-N 3.1Å
405	E	72.5	Confident	90.6	Very high	82 Å²	82	54.1 Å²	54.1	38%	0.383	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.2	-175.5	-69	179.1	-175.1	0	0	115	A228 G229	A228-E405 CarbonylContact C-O 3.07Å; G229-E405 PolarHBondContact N-O 2.8Å
406	N	74.9	Confident	90.6	Very high	89 Å²	89	50.2 Å²	50.2	48%	0.476	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	13.6	-178.1	-68.4	-28.6	0	0	0	113.8	G404 C408 S409	G404-N406 PolarHBondContact O-N 3.46Å; N406-C408 PolarHBondContact O-N 2.88Å; N406-C408 VanDerWaalsContact O-N 3.16Å; N406-S409 WeakPolarHBondContact O-CB 3.48Å; N406-S409 PolarHBondContact O-N 3.01Å
407	A	82.6	Confident	90.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.6	-36.7	-172.5	0	0	0	0	0	113.1	A228 M401 Q402 G404 S409 I410	A228-A407 HydrophobicContact CB-CB 3.73Å; M401-A407 WeakPolarHBondContact O-CB 3.44Å; Q402-A407 WeakPolarHBondContact O-CB 3.36Å; G404-A407 WeakPolarHBondContact O-CB 3.46Å; G404-A407 PolarHBondContact O-N 3.42Å; G404-A407 VanDerWaalsContact O-N 3.1Å; A407-S409 PolarHBondContact O-N 3.17Å; A407-S409 VanDerWaalsContact O-N 3.16Å; A407-I410 PolarHBondContact O-N 3.03Å; A407-I410 VanDerWaalsContact O-O 3.1Å
408	C	82.6	Confident	90.3	Very high	12 Å²	12	42.3 Å²	42.3	8%	0.081	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68	-12.2	179.7	-102.7	0	0	0	0	114.5	A228 C230 N406 W417	A228-C408 PolarHBondContact O-N 2.87Å; C230-C408 VanDerWaalsContact CA-SG 3.59Å; C230-C408 HydrophobicContact CB-CB 3.85Å; C230-C408 WeakPolarHBondContact CB-SG 3.22Å; C230-C408 WeakPolarHBondContact SG-CB 3.49Å; C230-C408 CovalentContact SG-SG 2.02Å; C230-C408 PolarHBondContact SG-SG 3.39Å; N406-C408 PolarHBondContact O-N 2.88Å; N406-C408 VanDerWaalsContact O-N 3.16Å; C408-W417 VanDerWaalsContact SG-CD1 3.55Å
409	S	85.4	Confident	90.1	Very high	88 Å²	88	44.2 Å²	44.2	62%	0.615	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-82.6	-21.3	170.2	-62.7	0	0	0	0	112.8	N406 A407	N406-S409 WeakPolarHBondContact O-CB 3.48Å; N406-S409 PolarHBondContact O-N 3.01Å; A407-S409 PolarHBondContact O-N 3.17Å; A407-S409 VanDerWaalsContact O-N 3.16Å
410	I	88.9	Confident	90.1	Very high	63 Å²	63	44.6 Å²	44.6	32%	0.323	27%	0.266	S	S	.	.	S	Bend	trans	-90.5	123.5	178.4	-51.3	170.8	0	0	0	108.1	N388 W390 M401 A407	N388-I410 PolarHBondContact ND2-O 3.35Å; W390-I410 HydrophobicContact CZ2-CG2 4.43Å; M401-I410 HydrophobicContact CB-CD1 3.93Å; A407-I410 PolarHBondContact O-N 3.03Å; A407-I410 VanDerWaalsContact O-O 3.1Å
411	R	92.7	Very high	90.1	Very high	125 Å²	125	47.6 Å²	47.6	47%	0.472	27%	0.273	S	S	.	.			trans	-117	143.5	-171.4	-64.8	-178.7	176.1	113.4	-0.3	111.7	W390 W417	W390-R411 PolarHBondContact NE1-O 3.31Å; R411-W417 PolarHBondContact NE-O 3.35Å
412	G	96.6	Very high	90.3	Very high	9 Å²	9	43.4 Å²	43.4	9%	0.093	25%	0.253	C	S	.	.			trans	-71.5	153.1	169.4	0	0	0	0	0	112.5	N388 M389 W390 I415	N388-G412 PolarHBondContact OD1-N 3.34Å; M389-G412 CarbonylContact O-C 3.59Å; M389-G412 WeakPolarHBondContact O-CA 3.38Å; W390-G412 VanDerWaalsContact CE2-CA 3.44Å; G412-I415 CarbonylContact C-O 3.56Å; G412-I415 WeakPolarHBondContact CA-O 3.3Å; G412-I415 PolarHBondContact N-O 3.13Å
413	N	97	Very high	90.5	Very high	72 Å²	72	46.2 Å²	46.2	39%	0.385	27%	0.268	S	S	.	.	S	Bend	trans	-81.1	-20.7	174.7	60.6	-32.9	0	0	0	113.1	T250 M389 W390 D391	T250-N413 PolarHBondContact OG1-O 3.4Å; M389-N413 PolarHBondContact O-N 3.47Å; W390-N413 WeakPolarHBondContact CA-OD1 3.45Å; D391-N413 PolarHBondContact N-OD1 2.95Å; D391-N413 PolarHBondContact OD1-ND2 2.96Å; D391-N413 PolarHBondContact OD1-OD1 2.94Å; D391-N413 PolarHBondContact OD2-ND2 3.43Å
414	I	97.4	Very high	90.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	27%	0.27	C	S	.	.	S	Bend	trans	-93.3	-45.3	173.6	-56.4	-63.5	0	0	0	110.3	P249 T250 A251 M253 L255 M389 D391	P249-I414 WeakPolarHBondContact CA-O 3.44Å; P249-I414 HydrophobicContact CB-CG2 3.94Å; T250-I414 PolarHBondContact N-O 3.5Å; T250-I414 VanDerWaalsContact N-O 3.08Å; T250-I414 PolarHBondContact OG1-O 3.08Å; A251-I414 HydrophobicContact CB-CD1 3.76Å; M253-I414 HydrophobicContact SD-CG2 3.43Å; M253-I414 WeakPolarHBondContact SD-CG2 2.91Å; L255-I414 HydrophobicContact CD2-CD1 4.34Å; M389-I414 HydrophobicContact CB-CB 4.31Å; M389-I414 HydrophobicContact CG-CB 4.32Å; M389-I414 HydrophobicContact CG-CG2 4.46Å; M389-I414 WeakPolarHBondContact O-CB 3.27Å; M389-I414 PolarHBondContact O-N 3.06Å; M389-I414 HydrophobicContact SD-CG2 4.35Å; D391-I414 HydrophobicContact CB-CD1 4.05Å; D391-I414 HydrophobicContact CB-CG1 4.05Å
415	I	97.9	Very high	91.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-136.4	123.1	176.7	-53.4	169.1	0	0	0	108.1	V247 L359 F387 N388 M389 G412 T420	V247-I415 HydrophobicContact CG1-CD1 4.12Å; V247-I415 HydrophobicContact CG1-CG1 4.38Å; V247-I415 HydrophobicContact CG1-CG2 4.35Å; L359-I415 HydrophobicContact CD2-CD1 3.2Å; L359-I415 HydrophobicContact CD2-CG1 4.29Å; F387-I415 HydrophobicContact CD1-CD1 4.3Å; F387-I415 HydrophobicContact CD1-CG2 4.08Å; F387-I415 HydrophobicContact CE1-CD1 3.53Å; F387-I415 HydrophobicContact CE1-CG2 4.35Å; F387-I415 HydrophobicContact CE2-CD1 4.45Å; F387-I415 HydrophobicContact CZ-CD1 3.62Å; F387-I415 WeakPolarHBondContact O-CG2 3.34Å; N388-I415 CarbonylContact C-O 3.57Å; N388-I415 VanDerWaalsContact CA-O 3.24Å; N388-I415 WeakPolarHBondContact CA-O 3.33Å; N388-I415 PolarHBondContact OD1-O 3.49Å; M389-I415 HydrophobicContact CB-CB 3.83Å; M389-I415 HydrophobicContact CB-CD1 3.66Å; M389-I415 HydrophobicContact CB-CG1 3.82Å; M389-I415 HydrophobicContact CG-CD1 4.43Å; M389-I415 PolarHBondContact N-O 3.07Å; M389-I415 PolarHBondContact O-N 3.37Å; M389-I415 VanDerWaalsContact O-N 3.16Å; M389-I415 HydrophobicContact SD-CD1 3.96Å; G412-I415 CarbonylContact C-O 3.56Å; G412-I415 WeakPolarHBondContact CA-O 3.3Å; G412-I415 PolarHBondContact N-O 3.13Å; I415-T420 WeakPolarHBondContact CA-OG1 3.45Å; I415-T420 HydrophobicContact CG2-CG2 4.08Å
416	G	96.3	Very high	92.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	28%	0.278	C	S	.	.			trans	-116.8	120.3	172.7	0	0	0	0	0	110.8	N388 G418 V419 T420	N388-G416 VanDerWaalsContact OD1-CA 3.31Å; N388-G416 WeakPolarHBondContact OD1-CA 3.29Å; G416-G418 PolarHBondContact O-N 3.18Å; G416-V419 VanDerWaalsContact O-CG2 3.3Å; G416-V419 WeakPolarHBondContact O-CG2 3.46Å; G416-V419 PolarHBondContact O-N 2.86Å; G416-V419 VanDerWaalsContact O-N 3.15Å; G416-T420 PolarHBondContact N-OG1 2.91Å; G416-T420 WeakPolarHBondContact O-CB 3.43Å; G416-T420 PolarHBondContact O-N 3.43Å; G416-T420 PolarHBondContact O-OG1 3.12Å
417	W	95.1	Very high	93.3	Very high	16 Å²	16	44.9 Å²	44.9	6%	0.061	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.6	175.8	-170.9	-105.4	0	0	0	111.3	T232 I234 L384 T385 F387 N388 C408 R411 V419 Y430	T232-W417 WeakPolarHBondContact O-CZ2 3.23Å; T232-W417 PolarHBondContact O-NE1 2.87Å; I234-W417 HydrophobicContact CD1-CH2 3.8Å; I234-W417 HydrophobicContact CD1-CZ3 4.2Å; I234-W417 HydrophobicContact CG1-CH2 3.87Å; L384-W417 HydrophobicContact CD1-CH2 4.01Å; L384-W417 HydrophobicContact CD1-CZ3 4.02Å; T385-W417 PolarHBondContact OG1-NE1 2.99Å; F387-W417 HydrophobicContact CB-CE3 3.96Å; F387-W417 HydrophobicContact CB-CZ3 4.25Å; F387-W417 PolarHBondContact O-N 3.05Å; N388-W417 PolarHBondContact OD1-N 3.14Å; C408-W417 VanDerWaalsContact SG-CD1 3.55Å; R411-W417 PolarHBondContact NE-O 3.35Å; W417-V419 VanDerWaalsContact C-N 3.25Å; W417-V419 PolarHBondContact O-N 2.91Å; W417-Y430 HydrophobicContact CH2-CE1 4.4Å; W417-Y430 HydrophobicContact CZ2-CE1 4.46Å
418	G	90.9	Very high	94	Very high	61 Å²	61	45.1 Å²	45.1	63%	0.629	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-3.9	-178.3	0	0	0	0	0	115.7	G416	G416-G418 PolarHBondContact O-N 3.18Å
419	V	92.8	Very high	94.7	Very high	91 Å²	91	49.7 Å²	49.7	55%	0.552	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-33.2	176.4	-60.8	0	0	0	0	113.2	G416 W417	G416-V419 VanDerWaalsContact O-CG2 3.3Å; G416-V419 WeakPolarHBondContact O-CG2 3.46Å; G416-V419 PolarHBondContact O-N 2.86Å; G416-V419 VanDerWaalsContact O-N 3.15Å; W417-V419 VanDerWaalsContact C-N 3.25Å; W417-V419 PolarHBondContact O-N 2.91Å
420	T	95.4	Very high	95.1	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.049	29%	0.289	C	S	.	.	S	Bend	trans	-78	133.7	173.3	-60.7	0	0	0	0	109.7	V247 H248 T250 I415 G416 V422	V247-T420 HydrophobicContact CG1-CG2 4.3Å; H248-T420 WeakPolarHBondContact O-CG2 3.44Å; T250-T420 HydrophobicContact CG2-CG2 4.38Å; I415-T420 WeakPolarHBondContact CA-OG1 3.45Å; I415-T420 HydrophobicContact CG2-CG2 4.08Å; G416-T420 PolarHBondContact N-OG1 2.91Å; G416-T420 WeakPolarHBondContact O-CB 3.43Å; G416-T420 PolarHBondContact O-N 3.43Å; G416-T420 PolarHBondContact O-OG1 3.12Å; T420-V422 PolarHBondContact O-N 3.33Å
421	E	94.9	Very high	95.2	Very high	108 Å²	108	48.9 Å²	48.9	51%	0.505	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	123.5	-179.5	-170.3	-173.6	-127	0	0	110.7	H248 L423	H248-E421 HydrophobicContact CB-CB 4.49Å; H248-E421 IonicContact CE1-OE2 3.58Å; H248-E421 IonicContact CG-OE2 3.71Å; H248-E421 PolarHBondContact N-O 3.17Å; H248-E421 IonicContact ND1-OE2 2.79Å; H248-E421 PolarHBondContact ND1-OE2 3.47Å; E421-L423 HydrophobicContact CG-CD2 3.8Å; E421-L423 HydrophobicContact CG-CG 4.12Å
422	V	96.6	Very high	94.7	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.4	169.6	-175.8	0	0	0	0	108	I234 S246 V247 I361 T420 P424 Y430	I234-V422 HydrophobicContact CD1-CB 4.18Å; I234-V422 HydrophobicContact CD1-CG1 3.56Å; S246-V422 CarbonylContact O-C 3.52Å; S246-V422 VanDerWaalsContact O-CA 3.3Å; S246-V422 WeakPolarHBondContact O-CA 3.47Å; V247-V422 HydrophobicContact CG1-CG2 4.23Å; V247-V422 HydrophobicContact CG2-CG1 4.11Å; V247-V422 HydrophobicContact CG2-CG2 4.16Å; I361-V422 HydrophobicContact CD1-CG1 3.66Å; I361-V422 HydrophobicContact CG1-CG1 4.44Å; T420-V422 PolarHBondContact O-N 3.33Å; V422-P424 VanDerWaalsContact O-CD 3.24Å; V422-P424 WeakPolarHBondContact O-CD 3.32Å; V422-Y430 WeakPolarHBondContact CB-OH 3.38Å; V422-Y430 PolarHBondContact O-OH 3.42Å; V422-Y430 VanDerWaalsContact O-OH 3.09Å
423	L	96.8	Very high	94.7	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.5	179.8	-60.9	-175	0	0	0	109.9	G245 S246 E421 H425	G245-L423 CarbonylContact C-O 3.52Å; G245-L423 VanDerWaalsContact CA-O 3.28Å; G245-L423 WeakPolarHBondContact CA-O 3.38Å; S246-L423 PolarHBondContact N-O 3.39Å; S246-L423 PolarHBondContact O-N 2.91Å; E421-L423 HydrophobicContact CG-CD2 3.8Å; E421-L423 HydrophobicContact CG-CG 4.12Å; L423-H425 PolarHBondContact O-CD2 2.89Å; L423-H425 PolarHBondContact O-NE2 3.13Å
424	P	96.9	Very high	94.5	Very high	42 Å²	42	49.5 Å²	49.5	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	142.5	175.6	32.9	-35.3	0	0	0	111.3	V422 A428 Y430	V422-P424 VanDerWaalsContact O-CD 3.24Å; V422-P424 WeakPolarHBondContact O-CD 3.32Å; P424-A428 HydrophobicContact CB-CB 3.65Å; P424-A428 WeakPolarHBondContact CB-O 3.38Å; P424-Y430 HydrophobicContact CG-CD2 4.24Å; P424-Y430 HydrophobicContact CG-CE2 4.19Å
425	H	96.6	Very high	94.4	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.31	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.2	-177.4	-64	-83.2	0	0	0	112.8	I243 F244 L423 G427 A428	I243-H425 WeakPolarHBondContact CA-O 3.36Å; F244-H425 HydrophobicContact CD1-CB 3.67Å; F244-H425 AromaticContact CD2-CD2 3.98Å; F244-H425 HydrophobicContact CE1-CB 3.36Å; F244-H425 AromaticContact CE1-CD2 4Å; F244-H425 AromaticContact CE1-CG 3.74Å; F244-H425 HydrophobicContact CE2-CB 4.31Å; F244-H425 AromaticContact CE2-CD2 3.36Å; F244-H425 WeakPolarHBondContact CE2-CD2 3.21Å; F244-H425 AromaticContact CE2-CG 3.97Å; F244-H425 HydrophobicContact CG-CB 4.3Å; F244-H425 HydrophobicContact CZ-CB 3.71Å; F244-H425 AromaticContact CZ-CD2 3.38Å; F244-H425 WeakPolarHBondContact CZ-CD2 3.5Å; F244-H425 AromaticContact CZ-CG 3.51Å; F244-H425 PolarHBondContact O-N 3.47Å; L423-H425 PolarHBondContact O-CD2 2.89Å; L423-H425 PolarHBondContact O-NE2 3.13Å; H425-G427 PolarHBondContact O-N 3.18Å; H425-G427 VanDerWaalsContact O-N 3.08Å; H425-A428 WeakPolarHBondContact O-CB 3.14Å; H425-A428 PolarHBondContact O-N 2.97Å; H425-A428 VanDerWaalsContact O-N 3.09Å
426	G	93.3	Very high	94.2	Very high	54 Å²	54	55 Å²	55	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	14.3	168.4	0	0	0	0	0	116.8	K242 I243	K242-G426 VanDerWaalsContact O-CA 3.29Å; K242-G426 WeakPolarHBondContact O-CA 3.42Å; I243-G426 WeakPolarHBondContact CG1-O 3.41Å
427	G	93.1	Very high	94	Very high	42 Å²	42	58.4 Å²	58.4	43%	0.433	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.2	-3.3	-177.2	0	0	0	0	0	114	P237 H425	P237-G427 WeakPolarHBondContact CD-O 3.25Å; H425-G427 PolarHBondContact O-N 3.18Å; H425-G427 VanDerWaalsContact O-N 3.08Å
428	A	97.3	Very high	94	Very high	10 Å²	10	61.2 Å²	61.2	8%	0.083	38%	0.381	C	S	.	.			trans	-62.8	142.7	161.3	0	0	0	0	0	109.1	I234 L235 F236 I243 P424 H425	I234-A428 HydrophobicContact CG2-CB 4.21Å; L235-A428 VanDerWaalsContact O-CA 3.29Å; L235-A428 WeakPolarHBondContact O-CA 3.35Å; F236-A428 HydrophobicContact CD1-CB 4.42Å; F236-A428 HydrophobicContact CE1-CB 4.25Å; I243-A428 HydrophobicContact CG2-CB 3.84Å; P424-A428 HydrophobicContact CB-CB 3.65Å; P424-A428 WeakPolarHBondContact CB-O 3.38Å; H425-A428 WeakPolarHBondContact O-CB 3.14Å; H425-A428 PolarHBondContact O-N 2.97Å; H425-A428 VanDerWaalsContact O-N 3.09Å
429	Q	96.4	Very high	94.2	Very high	108 Å²	108	61.2 Å²	61.2	51%	0.505	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.7	179.5	65.4	-176.4	19.3	0	0	111.8	I234 L235 V431	I234-Q429 WeakPolarHBondContact CA-O 3.38Å; L235-Q429 HydrophobicContact CB-CG 4.46Å; L235-Q429 PolarHBondContact N-O 2.77Å; L235-Q429 PolarHBondContact O-N 3.48Å; Q429-V431 HydrophobicContact CG-CG1 4.17Å
430	Y	94.4	Very high	94.3	Very high	105 Å²	105	58.9 Å²	58.9	41%	0.412	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	139	167.9	-73.9	-82.7	0	0	0	110.5	A233 I234 W417 V422 P424	A233-Y430 CarbonylContact O-C 3.48Å; A233-Y430 VanDerWaalsContact O-CA 3.32Å; A233-Y430 WeakPolarHBondContact O-CA 3.35Å; I234-Y430 HydrophobicContact CD1-CE1 3.9Å; I234-Y430 HydrophobicContact CG1-CD1 3.75Å; I234-Y430 HydrophobicContact CG1-CE1 3.61Å; I234-Y430 HydrophobicContact CG1-CG 4.31Å; W417-Y430 HydrophobicContact CH2-CE1 4.4Å; W417-Y430 HydrophobicContact CZ2-CE1 4.46Å; V422-Y430 WeakPolarHBondContact CB-OH 3.38Å; V422-Y430 PolarHBondContact O-OH 3.42Å; V422-Y430 VanDerWaalsContact O-OH 3.09Å; P424-Y430 HydrophobicContact CG-CD2 4.24Å; P424-Y430 HydrophobicContact CG-CE2 4.19Å
431	V	91.8	Very high	94.2	Very high	29 Å²	29	63.2 Å²	63.2	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.4	174.4	-61.6	0	0	0	0	108.4	T232 A233 L235 Q429	T232-V431 CarbonylContact C-O 3.21Å; T232-V431 WeakPolarHBondContact CA-O 3.24Å; A233-V431 HydrophobicContact CB-CG2 4.05Å; A233-V431 PolarHBondContact N-O 2.94Å; A233-V431 WeakPolarHBondContact O-CG2 3.43Å; A233-V431 PolarHBondContact O-N 2.83Å; L235-V431 HydrophobicContact CB-CG1 3.83Å; L235-V431 HydrophobicContact CB-CG2 4.14Å; L235-V431 HydrophobicContact CD2-CG1 4.18Å; Q429-V431 HydrophobicContact CG-CG1 4.17Å
432	S	82.1	Confident	94.1	Very high	119 Å²	119	59.1 Å²	59.1	83%	0.832	36%	0.361	S	S	*	.			trans	-104.1	0	173.1	58.7	0	0	0	0	110.1

Retrieved 432 of 432 residues in 2889 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).