A0A077ZD01_TRITR Loading...

Peptidase family M13 containing protein

AlphaFold DB , UniProt , Accession A0A077ZD01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 858 aa.

						>A0A077ZD01_TRITR|A0A077ZD01
MPTVRALAATATNSLAEAKKVGLGLTVTPASPRNNTMLPNNEENVSDDSCVFLVDERRQSDNSAPSVVVPFDLLTGSSSIPCDTLATSPTVTFAVKADSWWSTRTRLEKCLIFVLFTMLFFLVALLLVVLTNGTLRDRDVISCPTATIVNDTPSVCTTKGCVEAASNLLMAIDSTQDPCENFYDYACGQWNKHFFIPEDMSGYGTFALVRDRVRRQLKTAINALKSEKIIKVLKSLGGWPILETSWQQMDVDLTEIIGKMRGYYSLDVFVSMYVYADAKNTTRNILTIHQGSLGLGPSTREYYLNDTLYSSQMTAYKRYFQRIVELIATDMGMTYTKDMEAEVGEILNFEKTYAAITSPDDQRRNHSLLYNRWTLRQLKEEMTAIKWDRFFELVMPRDVMEIIDDDMNLIVTDPVYIAHINKLLLETDKRVLVNYLLWRLTKAWASMLDERYDIAFQDFVLVMVGRQSRPARWKTCVPAVVGWMEMATGALYVESHFNQKDKEEAVALIDHIRLAFTELVKKLDWMDDETKSIAIEKAQEMINHIGYPEFINNKTLLDKYYEGLLLYDNDTYFEVSRKASNWLNQREMLELLKPFNRNRFDTSPAIVNAFYSPEKNVISTMVLRLSTLIRVIMLVVAFPAGILQPPFFNGEYLKAINYGSIGAVIGHEITHGFDDQGSQYDKNGNLKDWWTPTAFERFRERTTCIIEQYNNYTVPDINIKVNGRLTQGENIADNAGVKEAYLASDFLAYKNYIMNNGKEEPRLPGLVNMTNDQIFFLSYANVSFSPLYPVGNVGKRFWCGHKKPAASLQQVLTDPHSPEMFRVIGVLSNLDEFAKTFNCKPGSQMNPLPSDRRKCSVW
					

Structure Viewer

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(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	29.9	Very low	32.3	Very low	242 Å²	242	139.7 Å²	139.7	100%	1.192	84%	0.844	S	S	*	*				0	150.3	0	-62.7	174.2	178.7	0	0	108.1
2	P	48.7	Very low	31.9	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	84%	0.84	S	S	*	*			cis	-134.9	159.3	-28	38	-22.8	0	0	0	114.5
3	T	35.8	Very low	31.8	Very low	135 Å²	135	140.5 Å²	140.5	83%	0.828	84%	0.841	S	S	*	*			trans	64.2	157.9	160.8	55.5	0	0	0	0	117.7
4	V	34.5	Very low	31.8	Very low	112 Å²	112	139.2 Å²	139.2	68%	0.679	84%	0.842	S	S	*	*			cis	-147.9	135.5	33.5	173.4	0	0	0	0	113.6
5	R	33.9	Very low	31.3	Very low	233 Å²	233	141.7 Å²	141.7	88%	0.879	85%	0.848	S	S	*	*			trans	59.3	111.5	154.9	-71.5	170.6	-179	162	0.3	124.1
6	A	31.3	Very low	31.1	Very low	89 Å²	89	138.9 Å²	138.9	74%	0.736	84%	0.844	S	S	*	*				68.1	115.9	111.4	0	0	0	0	0	122.7
7	L	29.8	Very low	31	Very low	177 Å²	177	142.4 Å²	142.4	93%	0.927	85%	0.849	S	S	*	*				-170	116.2	97.1	-103.4	166.1	0	0	0	111.5
8	A	25.4	Very low	30.8	Very low	103 Å²	103	140.4 Å²	140.4	85%	0.851	85%	0.851	S	S	*	*			trans	-161.9	99.2	172.4	0	0	0	0	0	112
9	A	27.9	Very low	30.9	Very low	92 Å²	92	143.7 Å²	143.7	76%	0.76	85%	0.853	S	S	*	*			trans	-166.2	155.3	162.7	0	0	0	0	0	111.6
10	T	29.8	Very low	30.9	Very low	143 Å²	143	146.6 Å²	146.6	88%	0.877	85%	0.854	S	S	*	*			trans	77.5	103	169.9	67.3	0	0	0	0	119.3
11	A	28.4	Very low	31.2	Very low	103 Å²	103	146.9 Å²	146.9	85%	0.851	86%	0.857	S	S	*	*			trans	-178.5	68.6	141.8	0	0	0	0	0	111.1
12	T	27.9	Very low	31.1	Very low	130 Å²	130	138.6 Å²	138.6	80%	0.798	83%	0.834	S	S	*	*			trans	-123.4	154.7	163.6	43.7	0	0	0	0	109.5
13	N	29.9	Very low	30.4	Very low	159 Å²	159	142.1 Å²	142.1	85%	0.85	85%	0.846	S	S	*	*			trans	71.1	97.9	-175.7	-56.5	-17.3	0	0	0	116.7
14	S	31.3	Very low	29.9	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	84%	0.844	S	S	*	*			trans	-160.2	80.7	134.6	34	0	0	0	0	110.2
15	L	25.6	Very low	29.8	Very low	177 Å²	177	142.2 Å²	142.2	93%	0.927	85%	0.854	S	S	*	*			trans	-75.4	147.3	153.4	-128.8	76.5	0	0	0	107.8
16	A	27.3	Very low	29.5	Very low	96 Å²	96	137.5 Å²	137.5	79%	0.793	85%	0.852	S	S	*	*			trans	66.9	88.5	178.3	0	0	0	0	0	117.2
17	E	28.8	Very low	29.6	Very low	199 Å²	199	140 Å²	140	93%	0.93	86%	0.857	S	S	*	*				-161.4	100.9	123.6	-114.3	-176.8	178	0	0	111.5
18	A	28.8	Very low	29.8	Very low	106 Å²	106	137.2 Å²	137.2	88%	0.876	85%	0.848	S	S	*	*			trans	-160.9	63.2	176.9	0	0	0	0	0	112
19	K	31.2	Very low	30.1	Very low	204 Å²	204	138.5 Å²	138.5	89%	0.887	85%	0.848	S	S	*	*			trans	-142.9	128.9	173.3	-117.3	178.1	-176.6	174.8	0	111.5
20	K	31.9	Very low	30.4	Very low	200 Å²	200	138.9 Å²	138.9	87%	0.87	85%	0.851	S	S	*	*			trans	62.6	92.1	173.9	-61.1	-176.6	174.7	-176.6	0	117
21	V	36.5	Very low	30.5	Very low	153 Å²	153	137.4 Å²	137.4	93%	0.927	85%	0.846	S	S	*	*				-113	136.3	114.1	179.1	0	0	0	0	106.2
22	G	27.5	Very low	30.8	Very low	69 Å²	69	138 Å²	138	71%	0.711	84%	0.842	S	S	*	*			trans	-112.6	129.9	-175.7	0	0	0	0	0	112
23	L	33.9	Very low	31.1	Very low	182 Å²	182	143.4 Å²	143.4	95%	0.953	85%	0.847	S	S	*	*			trans	-130.6	121.8	156.3	-91.4	166.1	0	0	0	106.6
24	G	26.5	Very low	31.2	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	84%	0.844	S	S	*	*			trans	-96.3	140.3	-174.1	0	0	0	0	0	112.2
25	L	31.6	Very low	31.3	Very low	173 Å²	173	145.1 Å²	145.1	91%	0.906	85%	0.847	S	S	*	*			trans	-133	109.1	156	-96.9	170.4	0	0	0	108.6
26	T	28	Very low	31.6	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	84%	0.836	S	S	*	*			trans	-81.2	124.3	174.1	47.2	0	0	0	0	110.1
27	V	33.4	Very low	31.9	Very low	140 Å²	140	145.3 Å²	145.3	85%	0.848	84%	0.836	S	S	*	*			trans	-120.8	127.5	160.1	-178.8	0	0	0	0	107.5
28	T	33.6	Very low	31.9	Very low	120 Å²	120	143.3 Å²	143.3	74%	0.736	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-87.5	144.4	-173	41.9	0	0	0	0	112
29	P	32.3	Very low	32.4	Very low	130 Å²	130	143.1 Å²	143.1	84%	0.844	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.5	126	162.9	30.9	-31.4	0	0	0	109.3
30	A	33.3	Very low	32.3	Very low	100 Å²	100	140.3 Å²	140.3	83%	0.826	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.5	135.2	176.7	0	0	0	0	0	111.4
31	S	32.4	Very low	32.3	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.4	149.6	177	-150.7	0	0	0	0	111.4
32	P	34.9	Very low	31.9	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70	156.2	-180	30.1	-36.5	0	0	0	112.5
33	R	35	Very low	32.1	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	82%	0.816	S	S	*	*			trans	-107.7	119.6	164.8	-76.4	-171.4	175.1	-170.1	-1	110.1
34	N	31.5	Very low	31.7	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	81%	0.812	S	S	*	*			trans	-62.3	144.6	155.3	-73.3	-16.7	0	0	0	109.2
35	N	33.7	Very low	31.9	Very low	171 Å²	171	146.9 Å²	146.9	91%	0.914	82%	0.815	S	S	*	*			trans	-128.8	147.6	145.1	-117.1	5.7	0	0	0	107.5
36	T	32.3	Very low	31.6	Very low	114 Å²	114	142.9 Å²	142.9	70%	0.699	80%	0.802	S	S	*	*			trans	-113.4	162.6	-159.1	44	0	0	0	0	113.9
37	M	32.1	Very low	31.6	Very low	163 Å²	163	143.2 Å²	143.2	80%	0.803	80%	0.798	S	S	*	*			trans	83.2	101.4	156.2	-73.2	175.3	173.1	0	0	120.4
38	L	30.5	Very low	31.5	Very low	158 Å²	158	144 Å²	144	83%	0.827	80%	0.798	S	S	*	*				76.4	159.7	117.8	-67.1	173.7	0	0	0	119.8
39	P	37.9	Very low	31.1	Very low	101 Å²	101	142.5 Å²	142.5	66%	0.656	79%	0.792	S	S	*	*			trans	-125.8	176	-150.7	42.2	-27.7	0	0	0	115.3
40	N	29.4	Very low	30.6	Very low	145 Å²	145	142 Å²	142	78%	0.775	79%	0.79	S	S	*	*			trans	150.8	167.7	136.4	-83.9	-5.1	0	0	0	112.5
41	N	33.1	Very low	30.3	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	79%	0.789	S	S	*	*			trans	79.6	113.4	-179.6	-54.9	15.8	0	0	0	112.5
42	E	27.2	Very low	29.8	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	79%	0.791	S	S	*	*				67.3	105.3	56.4	-63.5	-168.7	150.2	0	0	113.1
43	E	31.9	Very low	29.5	Very low	194 Å²	194	149.6 Å²	149.6	91%	0.907	80%	0.797	S	S	*	*			trans	-155.1	136.1	131.9	-121.8	168.7	-158.5	0	0	109.8
44	N	25.9	Very low	29	Very low	162 Å²	162	143.9 Å²	143.9	87%	0.866	79%	0.789	S	S	*	*			trans	-98.3	138	171.7	-67.7	-61.3	0	0	0	108.9
45	V	30.6	Very low	28.9	Very low	137 Å²	137	144.6 Å²	144.6	83%	0.83	79%	0.793	S	S	*	*			trans	-139.6	128.1	149.9	-175.2	0	0	0	0	108.4
46	S	25.4	Very low	28.5	Very low	90 Å²	90	142.5 Å²	142.5	63%	0.629	78%	0.778	S	S	*	*			trans	-113.4	162.1	161.7	65.1	0	0	0	0	109
47	D	27.6	Very low	28.4	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	78%	0.78	S	S	*	*			trans	68.1	149.2	173.8	-45.6	-60.6	0	0	0	112.5
48	D	30.2	Very low	28.2	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	78%	0.779	S	S	*	*			cis	-140.4	-166	40.6	-150.4	-24.7	0	0	0	113.4
49	S	25	Very low	28.3	Very low	89 Å²	89	149.6 Å²	149.6	62%	0.622	78%	0.779	S	S	*	*			trans	-138.1	159.7	-154.5	60.4	0	0	0	0	115.3
50	C	22	Very low	28	Very low	119 Å²	119	149.4 Å²	149.4	80%	0.804	78%	0.78	S	S	*	*			trans	65.6	144.2	167.4	-64.3	0	0	0	0	119.3
51	V	27.1	Very low	28.1	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	78%	0.777	S	S	*	*				-179.9	142.1	109.7	149.5	0	0	0	0	110.3
52	F	22.8	Very low	28	Very low	186 Å²	186	148.5 Å²	148.5	82%	0.816	78%	0.775	S	S	*	*			trans	-79.7	151.1	170.3	-83.4	-113	0	0	0	111
53	L	28.6	Very low	28.3	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	78%	0.776	S	S	*	*			trans	-127.2	108.2	151.9	-79.2	177.8	0	0	0	111.3
54	V	23.9	Very low	28.3	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	77%	0.769	S	S	*	*			trans	-97.2	139.6	151.7	174.4	0	0	0	0	105.9
55	D	29.6	Very low	28.8	Very low	161 Å²	161	139 Å²	139	86%	0.861	77%	0.766	S	S	*	*			trans	-138.9	144.1	164.1	-161	2.1	0	0	0	110.2
56	E	26.3	Very low	28.7	Very low	128 Å²	128	137.6 Å²	137.6	60%	0.598	76%	0.762	S	S	*	*			trans	-155.6	139.4	-174.2	-162.9	-161.2	-125.9	0	0	109.9
57	R	29.3	Very low	28.9	Very low	199 Å²	199	139.7 Å²	139.7	75%	0.751	77%	0.771	S	S	*	*			trans	98.2	151.8	165.2	-59.2	170.5	-166	-177	8.4	117.2
58	R	28.4	Very low	28.8	Very low	210 Å²	210	138.9 Å²	138.9	79%	0.792	77%	0.77	S	S	*	*			cis	179.4	132.2	-21.9	167.5	-168.8	-90.1	-176.4	-8.6	108.6
59	Q	32.2	Very low	29	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	77%	0.768	S	S	*	*			trans	175.1	114.2	142	-101.5	163	7.1	0	0	109
60	S	31.1	Very low	29.4	Very low	98 Å²	98	138.5 Å²	138.5	69%	0.685	77%	0.772	S	S	*	*				63.9	130.9	103.3	64.2	0	0	0	0	114.4
61	D	32.2	Very low	29.7	Very low	132 Å²	132	141.8 Å²	141.8	71%	0.706	77%	0.773	S	S	*	*			cis	-155.6	162.2	39.3	-133.2	0.5	0	0	0	115.3
62	N	31.1	Very low	30	Very low	135 Å²	135	142.8 Å²	142.8	72%	0.722	77%	0.774	S	S	*	*			trans	35.1	127.8	157.7	-59.7	-54	0	0	0	120.4
63	S	33.2	Very low	30.3	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	77%	0.768	S	S	*	*				-165.2	172.9	51.3	51.2	0	0	0	0	114.2
64	A	32.9	Very low	30.5	Very low	92 Å²	92	140.2 Å²	140.2	76%	0.76	77%	0.768	S	S	*	*			trans	-135.4	-171.6	-169	0	0	0	0	0	110.9
65	P	35.8	Very low	30.7	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	77%	0.772	S	S	*	*			cis	-140.5	-177.3	6.2	43.6	-23.9	0	0	0	118
66	S	27.3	Very low	30.8	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	77%	0.772	S	S	*	*			trans	-65	167.2	179.6	-30.8	0	0	0	0	116.4
67	V	29.3	Very low	30.9	Very low	134 Å²	134	136.9 Å²	136.9	81%	0.812	78%	0.784	S	S	*	*			trans	-117.1	126.8	154.5	175.9	0	0	0	0	109.4
68	V	27.3	Very low	31	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	79%	0.788	S	S	*	*			trans	-140	138.7	167	175.5	0	0	0	0	106.8
69	V	33.8	Very low	31.2	Very low	128 Å²	128	127.8 Å²	127.8	78%	0.776	78%	0.783	S	S	*	*			trans	-128.5	114.5	173.3	-174.7	0	0	0	0	108.2
70	P	33.8	Very low	31.3	Very low	109 Å²	109	127 Å²	127	71%	0.708	78%	0.783	S	S	*	*			trans	-88.1	168.1	179.6	35.5	-34.7	0	0	0	112.8
71	F	28.3	Very low	31.6	Very low	189 Å²	189	127.9 Å²	127.9	83%	0.829	79%	0.786	S	S	*	*			trans	-70.1	149.4	164.9	-131.1	-101.5	0	0	0	110.2
72	D	33.6	Very low	31.4	Very low	153 Å²	153	126.8 Å²	126.8	82%	0.818	79%	0.788	S	S	*	*			trans	-150.8	153.1	159.6	-134.6	-27.5	0	0	0	112
73	L	28.2	Very low	31.7	Very low	132 Å²	132	127.4 Å²	127.4	69%	0.691	79%	0.791	S	S	*	*			trans	-143.5	114.9	-169	-131.1	175.5	0	0	0	109.9
74	L	32.9	Very low	31.7	Very low	169 Å²	169	126.8 Å²	126.8	89%	0.885	78%	0.782	S	S	*	*			trans	-131	128.2	172.2	-81.7	176.8	0	0	0	112.1
75	T	29.1	Very low	31.7	Very low	137 Å²	137	130.2 Å²	130.2	84%	0.84	79%	0.787	S	S	*	*			trans	-98.3	147.8	172.4	47	0	0	0	0	110.3
76	G	29.9	Very low	31.4	Very low	82 Å²	82	128 Å²	128	85%	0.845	78%	0.779	S	S	*	*			trans	-135.5	126.3	171.9	0	0	0	0	0	109.5
77	S	29.5	Very low	31.8	Very low	122 Å²	122	129.8 Å²	129.8	85%	0.853	79%	0.785	S	S	*	*			trans	-114.5	149.7	-167.3	53.9	0	0	0	0	113.7
78	S	32.1	Very low	32.1	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	79%	0.785	S	S	*	*			trans	-157.9	153.8	154.4	54.5	0	0	0	0	108.7
79	S	32.8	Very low	32.7	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	79%	0.786	S	S	*	*			trans	-163.5	152.5	-160	52.1	0	0	0	0	115
80	I	33.1	Very low	32.8	Very low	157 Å²	157	129 Å²	129	81%	0.805	79%	0.789	S	S	*	*			trans	71.5	154.9	155.1	-64.6	154.1	0	0	0	115.4
81	P	37.5	Very low	32.9	Very low	117 Å²	117	129 Å²	129	76%	0.76	79%	0.787	S	S	*	*			cis	-122.1	-172.8	-8.1	29.5	-7.8	0	0	0	115.3
82	C	28.9	Very low	33.3	Very low	109 Å²	109	126 Å²	126	74%	0.736	78%	0.784	S	S	*	*			trans	-84.6	164.6	164.8	-52.3	0	0	0	0	112.7
83	D	36.2	Very low	33.5	Very low	147 Å²	147	128 Å²	128	79%	0.786	79%	0.786	S	S	*	*				-179.2	144	99.8	-106.6	-17.9	0	0	0	119
84	T	34.3	Very low	33.8	Very low	110 Å²	110	126.4 Å²	126.4	68%	0.675	79%	0.791	S	S	*	*			trans	53.9	121.9	148.3	60.2	0	0	0	0	126.2
85	L	32	Very low	34.1	Very low	165 Å²	165	125 Å²	125	86%	0.864	79%	0.789	S	S	*	*				97.2	132.3	121.3	-85	166.9	0	0	0	125
86	A	30.9	Very low	34.8	Very low	77 Å²	77	127.4 Å²	127.4	64%	0.636	79%	0.788	S	S	*	*			trans	78	89.5	143.9	0	0	0	0	0	121.5
87	T	35.1	Very low	35.6	Very low	144 Å²	144	127.9 Å²	127.9	88%	0.883	78%	0.784	S	S	*	*				171.7	150.8	96.3	34.6	0	0	0	0	112.3
88	S	35.3	Very low	36.8	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	78%	0.776	S	S	*	*			trans	-102.2	152	165.6	-55.1	0	0	0	0	109.7
89	P	39.9	Very low	38.4	Very low	120 Å²	120	126 Å²	126	78%	0.779	76%	0.761	S	S	*	*				-138.9	166.2	104.5	38.7	-28.3	0	0	0	114.7
90	T	36.1	Very low	40.5	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	76%	0.755	S	S	*	*			trans	-69.4	127.4	-175.3	-37.4	0	0	0	0	113.1
91	V	36.2	Very low	42.7	Very low	110 Å²	110	125.5 Å²	125.5	67%	0.667	73%	0.734	S	S	*	*			trans	-138.7	117.8	162.9	-173.9	0	0	0	0	109.9	F93	V91-F93 HydrophobicContact CG1-CD2 3.57Å; V91-F93 HydrophobicContact CG1-CE2 3.44Å; V91-F93 VanDerWaalsContact CG1-CE2 3.44Å; V91-F93 HydrophobicContact CG1-CZ 4.46Å
92	T	36.8	Very low	44.5	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	72%	0.721	S	S	*	*			trans	-87.5	118.3	173.5	47	0	0	0	0	111
93	F	36.4	Very low	46.9	Very low	197 Å²	197	122.8 Å²	122.8	86%	0.864	72%	0.715	S	S	*	*			trans	-131	153.4	162	-79.7	-62.9	0	0	0	111.2	V91	V91-F93 HydrophobicContact CG1-CD2 3.57Å; V91-F93 HydrophobicContact CG1-CE2 3.44Å; V91-F93 VanDerWaalsContact CG1-CE2 3.44Å; V91-F93 HydrophobicContact CG1-CZ 4.46Å
94	A	34.3	Very low	49.2	Very low	98 Å²	98	119.7 Å²	119.7	81%	0.81	69%	0.692	S	S	*	*			trans	-66.1	137.2	-162	0	0	0	0	0	113.3	K96	A94-K96 PolarHBondContact O-N 3.21Å
95	V	40.4	Very low	51.7	Low	138 Å²	138	118.3 Å²	118.3	84%	0.836	68%	0.683	S	S	*	*			trans	-60.9	108.1	161.6	176.8	0	0	0	0	107.4	A97	V95-A97 PolarHBondContact O-N 3.02Å
96	K	43.8	Very low	54.3	Low	188 Å²	188	121.4 Å²	121.4	82%	0.817	68%	0.684	S	S	*	*			trans	-66.4	107	167	-162.9	178.3	-172	-178.4	0	106	A94 D98	A94-K96 PolarHBondContact O-N 3.21Å; K96-D98 PolarHBondContact O-N 3.16Å
97	A	46	Very low	57	Low	92 Å²	92	123.6 Å²	123.6	76%	0.76	68%	0.684	S	S	*	*			trans	-66.4	96	-177.5	0	0	0	0	0	109.5	V95 S99	V95-A97 PolarHBondContact O-N 3.02Å; A97-S99 PolarHBondContact O-N 3.26Å
98	D	55.2	Low	59.5	Low	129 Å²	129	119.7 Å²	119.7	69%	0.69	66%	0.656	S	S	*	*			trans	-55.9	125.9	168.5	-84.1	-41	0	0	0	108.2	K96 W100	K96-D98 PolarHBondContact O-N 3.16Å; D98-W100 PolarHBondContact O-N 3.38Å
99	S	65.2	Low	62.1	Low	74 Å²	74	116.7 Å²	116.7	52%	0.517	63%	0.628	S	S	.	*			trans	-53.3	129.4	-177.5	178.6	0	0	0	0	109.3	A97 W101 S102	A97-S99 PolarHBondContact O-N 3.26Å; S99-W101 PolarHBondContact O-N 2.95Å; S99-W101 PolarHBondContact OG-N 3.11Å; S99-S102 PolarHBondContact O-N 3.07Å; S99-S102 PolarHBondContact O-OG 2.8Å
100	W	76.7	Confident	64.5	Low	149 Å²	149	114.6 Å²	114.6	56%	0.564	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-17.9	174	174.1	96.5	0	0	0	113	D98 R104 I112	D98-W100 PolarHBondContact O-N 3.38Å; W100-R104 WeakPolarHBondContact O-CG 3.07Å; W100-I112 HydrophobicContact CH2-CD1 3.67Å; W100-I112 HydrophobicContact CH2-CG1 4.43Å; W100-I112 HydrophobicContact CZ2-CD1 4.38Å; W100-I112 HydrophobicContact CZ3-CD1 4.21Å
101	W	79.3	Confident	67.1	Low	97 Å²	97	113 Å²	113	37%	0.367	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-29.3	172.1	-162.8	-117.2	0	0	0	114.5	S99 K109 I112 F113	S99-W101 PolarHBondContact O-N 2.95Å; S99-W101 PolarHBondContact OG-N 3.11Å; W101-K109 HydrophobicContact CD2-CG 4.33Å; W101-K109 HydrophobicContact CE3-CG 4.37Å; W101-K109 HydrophobicContact CH2-CB 3.93Å; W101-K109 HydrophobicContact CH2-CG 3.8Å; W101-K109 HydrophobicContact CZ2-CB 4.01Å; W101-K109 HydrophobicContact CZ2-CD 4.27Å; W101-K109 HydrophobicContact CZ2-CG 3.73Å; W101-K109 HydrophobicContact CZ3-CG 4.11Å; W101-K109 WeakPolarHBondContact O-CE 3.27Å; W101-K109 PolarHBondContact O-NZ 3.1Å; W101-I112 HydrophobicContact CH2-CB 4.47Å; W101-I112 HydrophobicContact CH2-CG2 4.34Å; W101-I112 HydrophobicContact CZ3-CB 4.19Å; W101-I112 HydrophobicContact CZ3-CD1 3.93Å; W101-I112 HydrophobicContact CZ3-CG2 3.89Å; W101-F113 HydrophobicContact CH2-CD2 4.11Å; W101-F113 HydrophobicContact CH2-CE2 4.22Å; W101-F113 HydrophobicContact CZ2-CD2 4.29Å; W101-F113 HydrophobicContact CZ2-CE2 4.02Å
102	S	75.9	Confident	69.8	Low	69 Å²	69	109.4 Å²	109.4	48%	0.483	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-42	-177.2	65.4	0	0	0	0	111.6	S99 R104 K109	S99-S102 PolarHBondContact O-N 3.07Å; S99-S102 PolarHBondContact O-OG 2.8Å; S102-R104 VanDerWaalsContact C-N 3.31Å; S102-R104 PolarHBondContact O-N 3.37Å; S102-K109 PolarHBondContact O-NZ 2.71Å
103	T	80.1	Confident	72.3	Confident	99 Å²	99	109.9 Å²	109.9	61%	0.607	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.8	-175.2	54	0	0	0	0	115.4
104	R	83.1	Confident	75	Confident	83 Å²	83	103.6 Å²	103.6	31%	0.313	55%	0.548	S	S	.	.			trans	-80.3	139.3	-177.8	-62.7	-68.5	168.3	-167.5	-6.2	113.2	W100 S102 E108 K109	W100-R104 WeakPolarHBondContact O-CG 3.07Å; S102-R104 VanDerWaalsContact C-N 3.31Å; S102-R104 PolarHBondContact O-N 3.37Å; R104-E108 HydrophobicContact CB-CB 4.13Å; R104-E108 WeakPolarHBondContact CD-OE1 3.48Å; R104-E108 IonicContact CZ-OE1 3.98Å; R104-E108 IonicContact NE-OE1 3.45Å; R104-E108 IonicContact NH1-OE1 2.7Å; R104-E108 PolarHBondContact NH1-OE1 3.39Å; R104-K109 HydrophobicContact CB-CD 4.44Å; R104-K109 HydrophobicContact CB-CG 3.92Å; R104-K109 WeakPolarHBondContact O-CE 3.39Å; R104-K109 PolarHBondContact O-NZ 2.8Å
105	T	88.2	Confident	77.9	Confident	80 Å²	80	104.9 Å²	104.9	49%	0.491	54%	0.54	S	S	.	.			trans	-63.4	165.5	172	62.8	0	0	0	0	112.3	L107 E108 K109	T105-L107 PolarHBondContact O-N 2.66Å; T105-E108 VanDerWaalsContact CB-OE2 3.31Å; T105-E108 WeakPolarHBondContact CB-OE2 3.43Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.04Å; T105-E108 PolarHBondContact N-OE2 3.13Å; T105-E108 PolarHBondContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CG 3.3Å; T105-E108 PolarHBondContact OG1-N 3.07Å; T105-E108 PolarHBondContact OG1-OE2 2.66Å; T105-K109 WeakPolarHBondContact O-CB 3.49Å; T105-K109 WeakPolarHBondContact O-CG 3.5Å; T105-K109 PolarHBondContact O-N 3.03Å
106	R	86.1	Confident	80.4	Confident	231 Å²	231	105 Å²	105	87%	0.872	53%	0.529	S	S	*	.	H	α-helix	trans	-59.7	-35.3	173.2	-75.2	-172.6	176.2	-172	-0.5	112.5	C110	R106-C110 WeakPolarHBondContact O-CB 3.41Å; R106-C110 PolarHBondContact O-N 3.47Å; R106-C110 VanDerWaalsContact O-N 3.09Å
107	L	86.6	Confident	82.6	Confident	123 Å²	123	99.2 Å²	99.2	64%	0.644	51%	0.51	S	S	*	.	H	α-helix	trans	-69.7	-49	-180	-176.9	61.6	0	0	0	111.4	T105 K109 C110 L111	T105-L107 PolarHBondContact O-N 2.66Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 3.1Å; L107-C110 WeakPolarHBondContact O-CB 3.37Å; L107-C110 PolarHBondContact O-N 3.21Å; L107-C110 VanDerWaalsContact O-N 3.14Å; L107-L111 HydrophobicContact CD1-CD1 4.39Å; L107-L111 HydrophobicContact CD1-CG 4.45Å; L107-L111 HydrophobicContact CG-CD1 4.08Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 2.9Å
108	E	87.5	Confident	84.8	Confident	61 Å²	61	100.9 Å²	100.9	29%	0.285	50%	0.504	S	S	.	.	H	α-helix	trans	-57.9	-44.7	175	-71.4	165.2	101.9	0	0	111.8	R104 T105 C110 L111 I112	R104-E108 HydrophobicContact CB-CB 4.13Å; R104-E108 WeakPolarHBondContact CD-OE1 3.48Å; R104-E108 IonicContact CZ-OE1 3.98Å; R104-E108 IonicContact NE-OE1 3.45Å; R104-E108 IonicContact NH1-OE1 2.7Å; R104-E108 PolarHBondContact NH1-OE1 3.39Å; T105-E108 VanDerWaalsContact CB-OE2 3.31Å; T105-E108 WeakPolarHBondContact CB-OE2 3.43Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.04Å; T105-E108 PolarHBondContact N-OE2 3.13Å; T105-E108 PolarHBondContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CG 3.3Å; T105-E108 PolarHBondContact OG1-N 3.07Å; T105-E108 PolarHBondContact OG1-OE2 2.66Å; E108-C110 VanDerWaalsContact C-N 3.28Å; E108-C110 PolarHBondContact O-N 3.35Å; E108-L111 PolarHBondContact O-N 2.88Å; E108-I112 WeakPolarHBondContact O-CB 3.4Å; E108-I112 WeakPolarHBondContact O-CD1 3.42Å; E108-I112 WeakPolarHBondContact O-CG1 3.4Å; E108-I112 PolarHBondContact O-N 2.82Å
109	K	91.2	Very high	86.7	Confident	53 Å²	53	99.5 Å²	99.5	23%	0.23	50%	0.496	C	S	.	.	H	α-helix	trans	-58.8	-39.8	176.7	-75.4	170.8	164.2	133.9	0	112.1	W101 S102 R104 T105 L107 F113	W101-K109 HydrophobicContact CD2-CG 4.33Å; W101-K109 HydrophobicContact CE3-CG 4.37Å; W101-K109 HydrophobicContact CH2-CB 3.93Å; W101-K109 HydrophobicContact CH2-CG 3.8Å; W101-K109 HydrophobicContact CZ2-CB 4.01Å; W101-K109 HydrophobicContact CZ2-CD 4.27Å; W101-K109 HydrophobicContact CZ2-CG 3.73Å; W101-K109 HydrophobicContact CZ3-CG 4.11Å; W101-K109 WeakPolarHBondContact O-CE 3.27Å; W101-K109 PolarHBondContact O-NZ 3.1Å; S102-K109 PolarHBondContact O-NZ 2.71Å; R104-K109 HydrophobicContact CB-CD 4.44Å; R104-K109 HydrophobicContact CB-CG 3.92Å; R104-K109 WeakPolarHBondContact O-CE 3.39Å; R104-K109 PolarHBondContact O-NZ 2.8Å; T105-K109 WeakPolarHBondContact O-CB 3.49Å; T105-K109 WeakPolarHBondContact O-CG 3.5Å; T105-K109 PolarHBondContact O-N 3.03Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 3.1Å; K109-F113 PolarHBondContact O-N 2.54Å; K109-F113 VanDerWaalsContact O-N 3.13Å
110	C	90.5	Very high	88	Confident	77 Å²	77	102.8 Å²	102.8	52%	0.52	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-46.6	176.1	-160.8	0	0	0	0	111.8	R106 L107 E108 I112 F113 V114	R106-C110 WeakPolarHBondContact O-CB 3.41Å; R106-C110 PolarHBondContact O-N 3.47Å; R106-C110 VanDerWaalsContact O-N 3.09Å; L107-C110 WeakPolarHBondContact O-CB 3.37Å; L107-C110 PolarHBondContact O-N 3.21Å; L107-C110 VanDerWaalsContact O-N 3.14Å; E108-C110 VanDerWaalsContact C-N 3.28Å; E108-C110 PolarHBondContact O-N 3.35Å; C110-I112 PolarHBondContact O-N 2.84Å; C110-F113 WeakPolarHBondContact O-CB 3.25Å; C110-F113 PolarHBondContact O-N 3.14Å; C110-F113 VanDerWaalsContact O-N 3.16Å; C110-V114 WeakPolarHBondContact O-CG2 3.33Å; C110-V114 PolarHBondContact O-N 2.69Å
111	L	89.1	Confident	88.7	Confident	101 Å²	101	102.6 Å²	102.6	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-39.9	177.8	-70.2	170.6	0	0	0	112.5	L107 E108 F113 V114 L115	L107-L111 HydrophobicContact CD1-CD1 4.39Å; L107-L111 HydrophobicContact CD1-CG 4.45Å; L107-L111 HydrophobicContact CG-CD1 4.08Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 2.9Å; E108-L111 PolarHBondContact O-N 2.88Å; L111-F113 VanDerWaalsContact C-N 3.34Å; L111-V114 PolarHBondContact O-N 3Å; L111-L115 PolarHBondContact O-N 2.97Å
112	I	92.6	Very high	89.4	Confident	33 Å²	33	103.4 Å²	103.4	17%	0.169	52%	0.515	C	S	.	.	H	α-helix	trans	-63.2	-41.7	174.3	-67.2	159.4	0	0	0	110.4	W100 W101 E108 C110 L115 F116	W100-I112 HydrophobicContact CH2-CD1 3.67Å; W100-I112 HydrophobicContact CH2-CG1 4.43Å; W100-I112 HydrophobicContact CZ2-CD1 4.38Å; W100-I112 HydrophobicContact CZ3-CD1 4.21Å; W101-I112 HydrophobicContact CH2-CB 4.47Å; W101-I112 HydrophobicContact CH2-CG2 4.34Å; W101-I112 HydrophobicContact CZ3-CB 4.19Å; W101-I112 HydrophobicContact CZ3-CD1 3.93Å; W101-I112 HydrophobicContact CZ3-CG2 3.89Å; E108-I112 WeakPolarHBondContact O-CB 3.4Å; E108-I112 WeakPolarHBondContact O-CD1 3.42Å; E108-I112 WeakPolarHBondContact O-CG1 3.4Å; E108-I112 PolarHBondContact O-N 2.82Å; C110-I112 PolarHBondContact O-N 2.84Å; I112-L115 PolarHBondContact O-N 3.49Å; I112-F116 HydrophobicContact CG2-CD2 3.76Å; I112-F116 HydrophobicContact CG2-CE2 3.86Å; I112-F116 WeakPolarHBondContact O-CD2 3.3Å; I112-F116 PolarHBondContact O-N 2.99Å
113	F	90.9	Very high	90.1	Very high	135 Å²	135	103.7 Å²	103.7	59%	0.592	51%	0.514	S	S	*	.	H	α-helix	trans	-61.1	-43.5	173.8	-105.9	-81	0	0	0	112.6	W101 K109 C110 L111 F116 T117	W101-F113 HydrophobicContact CH2-CD2 4.11Å; W101-F113 HydrophobicContact CH2-CE2 4.22Å; W101-F113 HydrophobicContact CZ2-CD2 4.29Å; W101-F113 HydrophobicContact CZ2-CE2 4.02Å; K109-F113 PolarHBondContact O-N 2.54Å; K109-F113 VanDerWaalsContact O-N 3.13Å; C110-F113 WeakPolarHBondContact O-CB 3.25Å; C110-F113 PolarHBondContact O-N 3.14Å; C110-F113 VanDerWaalsContact O-N 3.16Å; L111-F113 VanDerWaalsContact C-N 3.34Å; F113-F116 PolarHBondContact O-N 2.65Å; F113-T117 WeakPolarHBondContact O-CG2 3.38Å; F113-T117 PolarHBondContact O-N 2.8Å; F113-T117 PolarHBondContact O-OG1 2.71Å
114	V	92.8	Very high	90.5	Very high	66 Å²	66	100.6 Å²	100.6	40%	0.4	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.4	173.5	0	0	0	0	111.8	C110 L111 T117 M118	C110-V114 WeakPolarHBondContact O-CG2 3.33Å; C110-V114 PolarHBondContact O-N 2.69Å; L111-V114 PolarHBondContact O-N 3Å; V114-T117 PolarHBondContact O-N 3.47Å; V114-T117 PolarHBondContact O-OG1 3.5Å; V114-T117 VanDerWaalsContact O-OG1 3.06Å; V114-M118 HydrophobicContact CG1-CE 4.15Å; V114-M118 WeakPolarHBondContact O-CB 3.41Å; V114-M118 WeakPolarHBondContact O-CG 3.24Å; V114-M118 PolarHBondContact O-N 3.35Å
115	L	94.1	Very high	90.8	Very high	124 Å²	124	102.4 Å²	102.4	65%	0.649	51%	0.514	S	S	*	.	H	α-helix	trans	-62.5	-43.5	174	-101.8	162.7	0	0	0	111.9	L111 I112 L119	L111-L115 PolarHBondContact O-N 2.97Å; I112-L115 PolarHBondContact O-N 3.49Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.35Å; L115-L119 PolarHBondContact O-N 2.63Å
116	F	92.8	Very high	90.6	Very high	140 Å²	140	103.6 Å²	103.6	61%	0.614	52%	0.517	S	S	*	.	H	α-helix	trans	-66.7	-37.6	176.2	-90.2	-71.3	0	0	0	113	I112 F113 F120	I112-F116 HydrophobicContact CG2-CD2 3.76Å; I112-F116 HydrophobicContact CG2-CE2 3.86Å; I112-F116 WeakPolarHBondContact O-CD2 3.3Å; I112-F116 PolarHBondContact O-N 2.99Å; F113-F116 PolarHBondContact O-N 2.65Å; F116-F120 VanDerWaalsContact O-CB 3.27Å; F116-F120 WeakPolarHBondContact O-CB 3.32Å; F116-F120 PolarHBondContact O-N 2.86Å
117	T	90.5	Very high	90.4	Very high	67 Å²	67	97.3 Å²	97.3	41%	0.411	50%	0.5	S	S	.	.	H	α-helix	trans	-70.5	-41.6	176	55.9	0	0	0	0	112	F113 V114 F120 F121	F113-T117 WeakPolarHBondContact O-CG2 3.38Å; F113-T117 PolarHBondContact O-N 2.8Å; F113-T117 PolarHBondContact O-OG1 2.71Å; V114-T117 PolarHBondContact O-N 3.47Å; V114-T117 PolarHBondContact O-OG1 3.5Å; V114-T117 VanDerWaalsContact O-OG1 3.06Å; T117-F120 PolarHBondContact O-N 2.65Å; T117-F121 WeakPolarHBondContact O-CD2 3.03Å; T117-F121 PolarHBondContact O-N 2.76Å
118	M	93.3	Very high	90.1	Very high	128 Å²	128	95.2 Å²	95.2	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-60.3	-46.8	173.1	-74.5	-166.5	179.5	0	0	111.6	V114 F120 F121 L122	V114-M118 HydrophobicContact CG1-CE 4.15Å; V114-M118 WeakPolarHBondContact O-CB 3.41Å; V114-M118 WeakPolarHBondContact O-CG 3.24Å; V114-M118 PolarHBondContact O-N 3.35Å; M118-F120 VanDerWaalsContact C-N 3.33Å; M118-F120 PolarHBondContact O-N 3.41Å; M118-F121 PolarHBondContact O-N 3.2Å; M118-L122 WeakPolarHBondContact O-CB 3.46Å; M118-L122 PolarHBondContact O-N 2.89Å
119	L	94	Very high	89.7	Confident	100 Å²	100	97 Å²	97	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-39.5	177.5	-175.4	63.7	0	0	0	111.9	L115 L122 V123	L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.35Å; L115-L119 PolarHBondContact O-N 2.63Å; L119-L122 PolarHBondContact O-N 2.69Å; L119-V123 HydrophobicContact CD1-CG2 4.38Å; L119-V123 WeakPolarHBondContact O-CB 3.17Å; L119-V123 WeakPolarHBondContact O-CG2 3.11Å; L119-V123 PolarHBondContact O-N 2.85Å
120	F	92.9	Very high	88.9	Confident	143 Å²	143	99.3 Å²	99.3	63%	0.627	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-45.9	174.5	178	-95.2	0	0	0	112	F116 T117 M118 L122 V123 A124	F116-F120 VanDerWaalsContact O-CB 3.27Å; F116-F120 WeakPolarHBondContact O-CB 3.32Å; F116-F120 PolarHBondContact O-N 2.86Å; T117-F120 PolarHBondContact O-N 2.65Å; M118-F120 VanDerWaalsContact C-N 3.33Å; M118-F120 PolarHBondContact O-N 3.41Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.98Å; F120-V123 PolarHBondContact O-N 3.4Å; F120-A124 VanDerWaalsContact O-CB 3.26Å; F120-A124 WeakPolarHBondContact O-CB 3.13Å; F120-A124 PolarHBondContact O-N 2.99Å
121	F	91.8	Very high	87.8	Confident	145 Å²	145	99.3 Å²	99.3	64%	0.636	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-37.9	174.9	-80.9	-65.8	0	0	0	112.6	T117 M118 A124 L125	T117-F121 WeakPolarHBondContact O-CD2 3.03Å; T117-F121 PolarHBondContact O-N 2.76Å; M118-F121 PolarHBondContact O-N 3.2Å; F121-A124 PolarHBondContact O-N 3.13Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.1Å
122	L	93.1	Very high	86.5	Confident	114 Å²	114	100.2 Å²	100.2	60%	0.597	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-43.3	178.2	-136	165.1	0	0	0	111.5	M118 L119 F120 L125 L126	M118-L122 WeakPolarHBondContact O-CB 3.46Å; M118-L122 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 2.69Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.98Å; L122-L125 PolarHBondContact O-N 2.99Å; L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 3.05Å
123	V	91.5	Very high	84.6	Confident	74 Å²	74	101.5 Å²	101.5	45%	0.448	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-39.2	174.3	172.1	0	0	0	0	111.6	L119 F120 L126 L127	L119-V123 HydrophobicContact CD1-CG2 4.38Å; L119-V123 WeakPolarHBondContact O-CB 3.17Å; L119-V123 WeakPolarHBondContact O-CG2 3.11Å; L119-V123 PolarHBondContact O-N 2.85Å; F120-V123 PolarHBondContact O-N 3.4Å; V123-L126 PolarHBondContact O-N 3.27Å; V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CB 3.39Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å; V123-L127 PolarHBondContact O-N 2.67Å
124	A	88.4	Confident	82.5	Confident	35 Å²	35	100.6 Å²	100.6	29%	0.289	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-41.4	174.8	0	0	0	0	0	111.9	F120 F121 L127 V128	F120-A124 VanDerWaalsContact O-CB 3.26Å; F120-A124 WeakPolarHBondContact O-CB 3.13Å; F120-A124 PolarHBondContact O-N 2.99Å; F121-A124 PolarHBondContact O-N 3.13Å; A124-L127 PolarHBondContact O-N 3.42Å; A124-V128 WeakPolarHBondContact O-CG2 3.37Å; A124-V128 PolarHBondContact O-N 3.28Å
125	L	88.2	Confident	80	Confident	121 Å²	121	104.8 Å²	104.8	63%	0.634	57%	0.571	S	S	*	*	H	α-helix	trans	-63.3	-44.4	174.5	-163.8	78.9	0	0	0	111.2	F121 L122 L127 V128 V129	F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.1Å; L122-L125 PolarHBondContact O-N 2.99Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.02Å; L125-V128 PolarHBondContact O-N 2.81Å; L125-V129 WeakPolarHBondContact O-CG2 3.39Å; L125-V129 PolarHBondContact O-N 2.85Å
126	L	85	Confident	77.5	Confident	105 Å²	105	110.4 Å²	110.4	55%	0.55	58%	0.583	S	S	.	*	H	α-helix	trans	-61.6	-41.9	176.4	-157.6	87.3	0	0	0	111.6	L122 V123 V129 L130	L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 3.05Å; V123-L126 PolarHBondContact O-N 3.27Å; L126-V129 PolarHBondContact O-N 3.21Å; L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 4.3Å; L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.29Å; L126-L130 PolarHBondContact O-N 2.98Å
127	L	81	Confident	74.8	Confident	98 Å²	98	111.1 Å²	111.1	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-63.6	-42.9	175.6	-76.7	168.9	0	0	0	111.9	V123 A124 L125 V129 L130 T131	V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CB 3.39Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å; V123-L127 PolarHBondContact O-N 2.67Å; A124-L127 PolarHBondContact O-N 3.42Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.02Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.82Å; L127-L130 PolarHBondContact O-N 3.44Å; L127-T131 WeakPolarHBondContact O-CG2 3.35Å; L127-T131 PolarHBondContact O-N 3.32Å; L127-T131 PolarHBondContact O-OG1 3.38Å; L127-T131 VanDerWaalsContact O-OG1 3.11Å
128	V	81.2	Confident	72.1	Confident	79 Å²	79	118.8 Å²	118.8	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-61.3	-41.2	175.2	168.1	0	0	0	0	111.5	A124 L125 T131 N132	A124-V128 WeakPolarHBondContact O-CG2 3.37Å; A124-V128 PolarHBondContact O-N 3.28Å; L125-V128 PolarHBondContact O-N 2.81Å; V128-T131 PolarHBondContact O-OG1 3.14Å; V128-N132 VanDerWaalsContact O-CB 3.3Å; V128-N132 WeakPolarHBondContact O-CB 3.32Å; V128-N132 PolarHBondContact O-N 2.81Å; V128-N132 PolarHBondContact O-ND2 2.85Å
129	V	78.3	Confident	69.3	Low	98 Å²	98	119.9 Å²	119.9	59%	0.594	62%	0.623	S	S	*	*	H	α-helix	trans	-63.1	-43.4	174.1	170.8	0	0	0	0	111.1	L125 L126 L127 G133	L125-V129 WeakPolarHBondContact O-CG2 3.39Å; L125-V129 PolarHBondContact O-N 2.85Å; L126-V129 PolarHBondContact O-N 3.21Å; L127-V129 VanDerWaalsContact C-N 3.33Å; L127-V129 PolarHBondContact O-N 2.82Å; V129-G133 PolarHBondContact O-N 2.69Å
130	L	74.4	Confident	66.5	Low	102 Å²	102	122 Å²	122	53%	0.534	64%	0.64	S	S	.	*	H	α-helix	trans	-68	-43.2	179.3	-71.9	166.8	0	0	0	112.7	L126 L127 N132 G133 T134	L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 4.3Å; L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.29Å; L126-L130 PolarHBondContact O-N 2.98Å; L127-L130 PolarHBondContact O-N 3.44Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.32Å; L130-G133 PolarHBondContact O-N 2.87Å; L130-G133 VanDerWaalsContact O-N 3.12Å; L130-T134 PolarHBondContact O-N 3.39Å
131	T	68.3	Low	63.9	Low	78 Å²	78	121.9 Å²	121.9	48%	0.479	65%	0.645	S	S	.	*	H	α-helix	trans	-67.9	-33.8	177.9	53.5	0	0	0	0	112.5	L127 V128 G133 T134	L127-T131 WeakPolarHBondContact O-CG2 3.35Å; L127-T131 PolarHBondContact O-N 3.32Å; L127-T131 PolarHBondContact O-OG1 3.38Å; L127-T131 VanDerWaalsContact O-OG1 3.11Å; V128-T131 PolarHBondContact O-OG1 3.14Å; T131-G133 VanDerWaalsContact C-N 3.29Å; T131-T134 PolarHBondContact O-OG1 2.99Å
132	N	60.6	Low	60.9	Low	120 Å²	120	119.9 Å²	119.9	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-74.5	-21.3	173	-68.8	-14.1	0	0	0	112.3	V128 L130	V128-N132 VanDerWaalsContact O-CB 3.3Å; V128-N132 WeakPolarHBondContact O-CB 3.32Å; V128-N132 PolarHBondContact O-N 2.81Å; V128-N132 PolarHBondContact O-ND2 2.85Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.32Å
133	G	54.2	Low	57.8	Low	60 Å²	60	119.9 Å²	119.9	62%	0.619	66%	0.657	S	S	*	*	H	α-helix	trans	-74.3	-19.2	174.6	0	0	0	0	0	114.7	V129 L130 T131	V129-G133 PolarHBondContact O-N 2.69Å; L130-G133 PolarHBondContact O-N 2.87Å; L130-G133 VanDerWaalsContact O-N 3.12Å; T131-G133 VanDerWaalsContact C-N 3.29Å
134	T	46	Very low	55	Low	115 Å²	115	121.8 Å²	121.8	71%	0.706	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	11.9	-172.4	51.2	0	0	0	0	115.4	L130 T131	L130-T134 PolarHBondContact O-N 3.39Å; T131-T134 PolarHBondContact O-OG1 2.99Å
135	L	41.2	Very low	52.4	Low	155 Å²	155	126 Å²	126	81%	0.812	69%	0.693	S	S	*	*			trans	-119.4	57.6	176.8	-82	170.4	0	0	0	112.2
136	R	40.5	Very low	50	Low	242 Å²	242	124.5 Å²	124.5	91%	0.913	70%	0.698	S	S	*	*			trans	-149.6	51.2	170.6	-152.6	178	-173	173	2.8	114.3
137	D	36.3	Very low	47.6	Very low	154 Å²	154	125.3 Å²	125.3	82%	0.824	71%	0.707	S	S	*	*	S	Bend	trans	-137.9	143.3	163.5	-152.2	-18.7	0	0	0	109.9
138	R	34.3	Very low	45.7	Very low	228 Å²	228	127 Å²	127	86%	0.86	72%	0.715	S	S	*	*			trans	57.5	87.2	-171.4	-56	179.3	-179.5	179.8	-0.6	116.4
139	D	35	Very low	43.8	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	72%	0.724	S	S	*	*				-144.7	144	123.1	-133.2	-26.4	0	0	0	111.4	I141	D139-I141 PolarHBondContact O-N 3.32Å
140	V	35.1	Very low	42.2	Very low	145 Å²	145	130 Å²	130	88%	0.879	73%	0.73	S	S	*	*			trans	-94.8	84.2	-170.8	-177.6	0	0	0	0	110
141	I	37.1	Very low	41.3	Very low	141 Å²	141	129.9 Å²	129.9	72%	0.723	73%	0.729	S	S	*	*			trans	-123.3	134.5	174.4	-60.5	-177.9	0	0	0	109.9	D139	D139-I141 PolarHBondContact O-N 3.32Å
142	S	28.8	Very low	41.3	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	74%	0.738	S	S	*	*			trans	-29.5	133.3	170.1	179.3	0	0	0	0	112.9	P144	S142-P144 WeakPolarHBondContact O-CD 3.13Å
143	C	29	Very low	42	Very low	114 Å²	114	127.6 Å²	127.6	77%	0.77	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-47.2	117.3	165.4	-62.6	0	0	0	0	108.8	T145	C143-T145 PolarHBondContact O-N 3.09Å
144	P	32.6	Very low	43.6	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-58.4	130	149.6	27.9	-30.8	0	0	0	104.8	S142 A146	S142-P144 WeakPolarHBondContact O-CD 3.13Å; P144-A146 PolarHBondContact O-N 3.47Å
145	T	33.1	Very low	45.7	Very low	124 Å²	124	126.2 Å²	126.2	76%	0.761	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-48.5	130.4	161.4	32.8	0	0	0	0	106.5	C143 T147	C143-T145 PolarHBondContact O-N 3.09Å; T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact O-N 3.45Å
146	A	37.2	Very low	48.1	Very low	89 Å²	89	119.7 Å²	119.7	74%	0.736	67%	0.67	S	S	*	*			trans	-53.4	109.7	169.7	0	0	0	0	0	105.8	P144 I148	P144-A146 PolarHBondContact O-N 3.47Å; A146-I148 PolarHBondContact O-N 2.83Å
147	T	35.4	Very low	50.5	Low	122 Å²	122	113.7 Å²	113.7	75%	0.748	66%	0.66	S	S	*	*			trans	-66.1	92.4	168.2	38.8	0	0	0	0	104.2	T145 V149	T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact O-N 3.45Å; T147-V149 PolarHBondContact O-N 3.29Å
148	I	41	Very low	53	Low	133 Å²	133	109 Å²	109	68%	0.682	64%	0.637	S	S	*	*			trans	-52	97.4	156.7	-57.2	172.4	0	0	0	103.1	A146 N150	A146-I148 PolarHBondContact O-N 2.83Å; I148-N150 WeakPolarHBondContact CG2-OD1 3.48Å; I148-N150 PolarHBondContact O-N 3.45Å
149	V	42.5	Very low	55.4	Low	111 Å²	111	105.5 Å²	105.5	67%	0.673	63%	0.628	S	S	*	*			trans	-61.8	105.2	159.8	-173.4	0	0	0	0	101.8	T147 D151	T147-V149 PolarHBondContact O-N 3.29Å; V149-D151 HydrophobicContact CG1-CB 3.87Å; V149-D151 PolarHBondContact O-N 3.47Å
150	N	43.3	Very low	57.5	Low	131 Å²	131	98.3 Å²	98.3	70%	0.701	59%	0.59	S	S	*	*			trans	-67.8	69.3	165.2	-76.2	-20.3	0	0	0	105.8	I148 T152	I148-N150 WeakPolarHBondContact CG2-OD1 3.48Å; I148-N150 PolarHBondContact O-N 3.45Å; N150-T152 PolarHBondContact O-N 3.44Å
151	D	56	Low	60	Low	98 Å²	98	91.4 Å²	91.4	52%	0.524	55%	0.548	S	S	.	.			trans	-77.4	60.9	175	-150.1	12.2	0	0	0	106.5	V149 P153	V149-D151 HydrophobicContact CG1-CB 3.87Å; V149-D151 PolarHBondContact O-N 3.47Å; D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.31Å
152	T	68.1	Low	62.5	Low	110 Å²	110	88.3 Å²	88.3	68%	0.675	54%	0.536	S	S	*	.			trans	-56.1	111.5	172.1	48.5	0	0	0	0	105.8	N150 S154	N150-T152 PolarHBondContact O-N 3.44Å; T152-S154 PolarHBondContact O-N 3.27Å
153	P	74.8	Confident	64.9	Low	40 Å²	40	86.7 Å²	86.7	26%	0.26	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-56.9	130.5	-166	16.9	-29.7	0	0	0	110	D151 E759 R762	D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.31Å; P153-E759 HydrophobicContact CB-CB 4.39Å; P153-R762 HydrophobicContact CB-CG 4.08Å; P153-R762 HydrophobicContact CG-CG 3.72Å
154	S	88.7	Confident	67.3	Low	80 Å²	80	81.5 Å²	81.5	56%	0.559	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-54.5	151.5	-169.1	62.2	0	0	0	0	112.3	T152 P761 R762	T152-S154 PolarHBondContact O-N 3.27Å; S154-P761 CarbonylContact O-C 3.48Å; S154-P761 WeakPolarHBondContact O-CA 3.39Å; S154-P761 WeakPolarHBondContact O-CB 3.47Å; S154-R762 PolarHBondContact O-N 3.35Å
155	V	91.1	Very high	69.9	Low	67 Å²	67	76.1 Å²	76.1	41%	0.406	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-95.2	129.4	-176.4	-175.4	0	0	0	0	110.2	T157 P764 V767	V155-T157 PolarHBondContact O-N 3.46Å; V155-P764 HydrophobicContact CG1-CB 3.81Å; V155-V767 HydrophobicContact CG1-CG1 4.31Å; V155-V767 HydrophobicContact CG2-CG1 3.73Å
156	C	90.3	Very high	72.3	Confident	17 Å²	17	73 Å²	73	12%	0.115	43%	0.431	C	S	.	.			trans	-75.1	111.6	177.5	-175	0	0	0	0	111.1	T158 C161 L653 P761 R762 P764	C156-T158 PolarHBondContact SG-OG1 3.24Å; C156-C161 HydrophobicContact CB-CB 3.59Å; C156-C161 WeakPolarHBondContact CB-SG 3.24Å; C156-C161 VanDerWaalsContact O-CB 3.32Å; C156-C161 WeakPolarHBondContact O-CB 3.49Å; C156-C161 WeakPolarHBondContact SG-CB 3.45Å; C156-C161 CovalentContact SG-SG 2.03Å; C156-C161 PolarHBondContact SG-SG 2.82Å; C156-L653 HydrophobicContact CB-CD2 3.82Å; C156-P761 HydrophobicContact CB-CB 4.06Å; C156-P761 HydrophobicContact CB-CG 4.19Å; C156-R762 PolarHBondContact N-O 2.92Å; C156-P764 VanDerWaalsContact O-CD 3.32Å; C156-P764 WeakPolarHBondContact O-CD 3.33Å
157	T	90.3	Very high	74.2	Confident	116 Å²	116	70.9 Å²	70.9	71%	0.712	41%	0.407	S	S	*	.			trans	-107.2	16.9	-177.2	52.6	0	0	0	0	113.9	V155	V155-T157 PolarHBondContact O-N 3.46Å
158	T	88.9	Confident	76.4	Confident	55 Å²	55	65.6 Å²	65.6	34%	0.337	37%	0.374	S	S	.	.	S	Bend	trans	-62.2	158.7	170.5	64.3	0	0	0	0	110.8	C156 G160 C161 V162 E651	C156-T158 PolarHBondContact SG-OG1 3.24Å; T158-G160 VanDerWaalsContact C-N 3.27Å; T158-G160 PolarHBondContact O-N 3.23Å; T158-C161 PolarHBondContact O-N 2.98Å; T158-C161 VanDerWaalsContact OG1-CB 3.29Å; T158-C161 WeakPolarHBondContact OG1-CB 3.39Å; T158-C161 PolarHBondContact OG1-N 3.27Å; T158-C161 PolarHBondContact OG1-SG 3.27Å; T158-V162 WeakPolarHBondContact O-CG2 3.27Å; T158-V162 PolarHBondContact O-N 2.82Å; T158-V162 VanDerWaalsContact O-N 3.07Å; T158-E651 PolarHBondContact OG1-O 3.06Å; T158-E651 VanDerWaalsContact OG1-O 3.07Å
159	K	84.7	Confident	78.6	Confident	155 Å²	155	63.3 Å²	63.3	67%	0.674	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-44.9	176.3	-178.4	-163.3	164.1	-159.8	0	109.6	V162 E163 E651	K159-V162 PolarHBondContact O-N 2.7Å; K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.3Å; K159-E163 PolarHBondContact O-N 3.26Å; K159-E651 WeakPolarHBondContact CB-OE2 3.28Å; K159-E651 PolarHBondContact N-OE2 2.67Å; K159-E651 VanDerWaalsContact N-OE2 3.13Å
160	G	79.4	Confident	80.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-55.8	-50.2	175.7	0	0	0	0	0	113.3	T158 V162 E163 A164 E651 Y652	T158-G160 VanDerWaalsContact C-N 3.27Å; T158-G160 PolarHBondContact O-N 3.23Å; G160-V162 PolarHBondContact O-N 3.46Å; G160-E163 PolarHBondContact O-N 2.94Å; G160-A164 WeakPolarHBondContact O-CB 3.44Å; G160-A164 PolarHBondContact O-N 3.21Å; G160-E651 PolarHBondContact N-OE2 2.87Å; G160-Y652 WeakPolarHBondContact O-CD1 3.44Å; G160-Y652 WeakPolarHBondContact O-CE1 3.28Å
161	C	88.2	Confident	82.1	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-38.9	179	-76.5	0	0	0	0	113.2	C156 T158 A165 L763	C156-C161 HydrophobicContact CB-CB 3.59Å; C156-C161 WeakPolarHBondContact CB-SG 3.24Å; C156-C161 VanDerWaalsContact O-CB 3.32Å; C156-C161 WeakPolarHBondContact O-CB 3.49Å; C156-C161 WeakPolarHBondContact SG-CB 3.45Å; C156-C161 CovalentContact SG-SG 2.03Å; C156-C161 PolarHBondContact SG-SG 2.82Å; T158-C161 PolarHBondContact O-N 2.98Å; T158-C161 VanDerWaalsContact OG1-CB 3.29Å; T158-C161 WeakPolarHBondContact OG1-CB 3.39Å; T158-C161 PolarHBondContact OG1-N 3.27Å; T158-C161 PolarHBondContact OG1-SG 3.27Å; C161-A165 VanDerWaalsContact O-CB 3.27Å; C161-A165 WeakPolarHBondContact O-CB 3.18Å; C161-A165 PolarHBondContact O-N 3.24Å; C161-L763 HydrophobicContact CB-CD2 4.18Å
162	V	89	Confident	83.7	Confident	76 Å²	76	52.3 Å²	52.3	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-41.9	176	174.5	0	0	0	0	111.3	T158 K159 G160 S166 P764	T158-V162 WeakPolarHBondContact O-CG2 3.27Å; T158-V162 PolarHBondContact O-N 2.82Å; T158-V162 VanDerWaalsContact O-N 3.07Å; K159-V162 PolarHBondContact O-N 2.7Å; G160-V162 PolarHBondContact O-N 3.46Å; V162-S166 WeakPolarHBondContact O-CB 3.36Å; V162-S166 PolarHBondContact O-N 3.29Å; V162-P764 HydrophobicContact CG2-CG 4.02Å
163	E	79.5	Confident	84.8	Confident	68 Å²	68	47.1 Å²	47.1	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-43.2	177.4	-174.7	171	168.4	0	0	112	K159 G160 N167	K159-E163 VanDerWaalsContact O-CB 3.31Å; K159-E163 WeakPolarHBondContact O-CB 3.3Å; K159-E163 PolarHBondContact O-N 3.26Å; G160-E163 PolarHBondContact O-N 2.94Å; E163-N167 WeakPolarHBondContact O-CB 3.24Å; E163-N167 PolarHBondContact O-N 2.99Å; E163-N167 PolarHBondContact O-ND2 2.79Å
164	A	79.4	Confident	85.6	Confident	5 Å²	5	50.1 Å²	50.1	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-47.5	176.2	0	0	0	0	0	112.1	G160 S166 N167 L168 Y652 I656	G160-A164 WeakPolarHBondContact O-CB 3.44Å; G160-A164 PolarHBondContact O-N 3.21Å; A164-S166 VanDerWaalsContact C-N 3.32Å; A164-S166 PolarHBondContact O-N 3.17Å; A164-N167 PolarHBondContact O-N 3.5Å; A164-N167 VanDerWaalsContact O-N 3.13Å; A164-L168 WeakPolarHBondContact O-CG 3.41Å; A164-L168 PolarHBondContact O-N 3.13Å; A164-Y652 HydrophobicContact CB-CD1 4.05Å; A164-Y652 HydrophobicContact CB-CE1 3.82Å; A164-Y652 HydrophobicContact CB-CE2 4.32Å; A164-Y652 HydrophobicContact CB-CG 4.4Å; A164-I656 HydrophobicContact CB-CD1 3.61Å
165	A	87	Confident	85.8	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-42.3	178.1	0	0	0	0	0	112.4	C161 L168 L169 L763 P764	C161-A165 VanDerWaalsContact O-CB 3.27Å; C161-A165 WeakPolarHBondContact O-CB 3.18Å; C161-A165 PolarHBondContact O-N 3.24Å; A165-L168 PolarHBondContact O-N 2.94Å; A165-L169 WeakPolarHBondContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CG 3.36Å; A165-L169 PolarHBondContact O-N 3.37Å; A165-L763 HydrophobicContact CB-CB 4.16Å; A165-L763 HydrophobicContact CB-CD1 4.26Å; A165-L763 HydrophobicContact CB-CD2 4.37Å; A165-P764 HydrophobicContact CB-CG 3.97Å; A165-P764 VanDerWaalsContact CB-O 3.24Å; A165-P764 WeakPolarHBondContact CB-O 3.32Å
166	S	83.4	Confident	86	Confident	59 Å²	59	51.5 Å²	51.5	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-45.9	173.4	-175	0	0	0	0	111.9	V162 A164 L168 L169 M170	V162-S166 WeakPolarHBondContact O-CB 3.36Å; V162-S166 PolarHBondContact O-N 3.29Å; A164-S166 VanDerWaalsContact C-N 3.32Å; A164-S166 PolarHBondContact O-N 3.17Å; S166-L168 VanDerWaalsContact C-N 3.31Å; S166-L168 PolarHBondContact O-N 3.18Å; S166-L169 PolarHBondContact O-N 3.23Å; S166-M170 WeakPolarHBondContact O-CE 3.44Å; S166-M170 WeakPolarHBondContact O-CG 3.4Å; S166-M170 PolarHBondContact O-N 3.29Å
167	N	76.4	Confident	86.3	Confident	44 Å²	44	54.9 Å²	54.9	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-32.2	179.3	-85.6	-56.6	0	0	0	114.1	E163 A164 R796	E163-N167 WeakPolarHBondContact O-CB 3.24Å; E163-N167 PolarHBondContact O-N 2.99Å; E163-N167 PolarHBondContact O-ND2 2.79Å; A164-N167 PolarHBondContact O-N 3.5Å; A164-N167 VanDerWaalsContact O-N 3.13Å; N167-R796 PolarHBondContact O-NH1 3.11Å; N167-R796 PolarHBondContact O-NH2 2.77Å; N167-R796 PolarHBondContact OD1-NH2 3.45Å
168	L	82.4	Confident	86.5	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-76.1	-49.2	173.2	-64.6	176.8	0	0	0	111.4	A164 A165 S166 M170 A171 I172 L763 L766 I774 L777 N781	A164-L168 WeakPolarHBondContact O-CG 3.41Å; A164-L168 PolarHBondContact O-N 3.13Å; A165-L168 PolarHBondContact O-N 2.94Å; S166-L168 VanDerWaalsContact C-N 3.31Å; S166-L168 PolarHBondContact O-N 3.18Å; L168-M170 PolarHBondContact O-N 2.94Å; L168-A171 PolarHBondContact O-N 2.99Å; L168-I172 WeakPolarHBondContact O-CG1 3.24Å; L168-I172 PolarHBondContact O-N 3.01Å; L168-L763 HydrophobicContact CD1-CD1 3.83Å; L168-L766 HydrophobicContact CB-CD1 4Å; L168-L766 HydrophobicContact CD1-CD1 4.12Å; L168-I774 HydrophobicContact CD1-CD1 4.48Å; L168-I774 HydrophobicContact CD1-CG2 4.47Å; L168-L777 HydrophobicContact CB-CD2 4.41Å; L168-L777 HydrophobicContact CD1-CD2 4.32Å; L168-L777 HydrophobicContact CD2-CG 4.29Å; L168-N781 HydrophobicContact CD2-CB 3.57Å
169	L	86.5	Confident	86.9	Confident	84 Å²	84	48.3 Å²	48.3	44%	0.44	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-29.1	-179.8	-79	165.3	0	0	0	113.7	A165 S166 A171 L766	A165-L169 WeakPolarHBondContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CG 3.36Å; A165-L169 PolarHBondContact O-N 3.37Å; S166-L169 PolarHBondContact O-N 3.23Å; L169-A171 PolarHBondContact O-N 3.37Å; L169-L766 HydrophobicContact CD1-CG 4.36Å; L169-L766 HydrophobicContact CD2-CD2 3.53Å; L169-L766 HydrophobicContact CD2-CG 4Å; L169-L766 HydrophobicContact CG-CD1 4.25Å; L169-L766 HydrophobicContact CG-CD2 4.03Å; L169-L766 HydrophobicContact CG-CG 3.97Å
170	M	80.5	Confident	87.4	Confident	90 Å²	90	45.4 Å²	45.4	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.9	174.2	-72.8	-173.2	-70.1	0	0	114.8	S166 L168	S166-M170 WeakPolarHBondContact O-CE 3.44Å; S166-M170 WeakPolarHBondContact O-CG 3.4Å; S166-M170 PolarHBondContact O-N 3.29Å; L168-M170 PolarHBondContact O-N 2.94Å
171	A	80.3	Confident	88.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-35	-174.5	0	0	0	0	0	114.6	L168 L169 D173 A186 C187 G188 Q189 W190 N781	L168-A171 PolarHBondContact O-N 2.99Å; L169-A171 PolarHBondContact O-N 3.37Å; A171-D173 PolarHBondContact O-N 3.36Å; A171-A186 CarbonylContact C-O 2.77Å; A171-A186 VanDerWaalsContact C-O 3.31Å; A171-A186 WeakPolarHBondContact CB-O 3.32Å; A171-C187 CarbonylContact O-C 3.52Å; A171-C187 VanDerWaalsContact O-C 3.25Å; A171-G188 PolarHBondContact O-N 3.1Å; A171-Q189 PolarHBondContact O-N 3.49Å; A171-W190 HydrophobicContact CB-CB 3.8Å; A171-N781 WeakPolarHBondContact CB-OD1 3Å
172	I	88.6	Confident	88.4	Confident	19 Å²	19	46.9 Å²	46.9	10%	0.097	26%	0.263	C	S	.	.			trans	-57.5	125.2	-179.7	-57.7	155.2	0	0	0	110.5	L168 Y185 Q189 L766 M769 L777	L168-I172 WeakPolarHBondContact O-CG1 3.24Å; L168-I172 PolarHBondContact O-N 3.01Å; I172-Y185 CarbonylContact C-O 3.15Å; I172-Y185 WeakPolarHBondContact CA-O 3.32Å; I172-Y185 HydrophobicContact CG2-CE1 4.41Å; I172-Y185 HydrophobicContact CG2-CE2 4.17Å; I172-Q189 WeakPolarHBondContact O-CG 3.11Å; I172-L766 HydrophobicContact CD1-CD1 4.4Å; I172-L766 HydrophobicContact CD1-CD2 3.89Å; I172-M769 HydrophobicContact CD1-CE 4.39Å; I172-L777 HydrophobicContact CD1-CD2 3.71Å; I172-L777 HydrophobicContact CG1-CD1 3.92Å; I172-L777 HydrophobicContact CG1-CD2 3.86Å; I172-L777 HydrophobicContact CG1-CG 4.48Å
173	D	91.8	Very high	88.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.242	C	C	.	.			trans	-101.7	89.2	165.8	-168.2	11	0	0	0	111	A171 T175 Q176 Y185 Q189 K192	A171-D173 PolarHBondContact O-N 3.36Å; D173-T175 PolarHBondContact O-N 2.93Å; D173-T175 PolarHBondContact OD1-N 3.25Å; D173-T175 PolarHBondContact OD1-OG1 3.13Å; D173-T175 PolarHBondContact OD2-OG1 3.34Å; D173-Q176 HydrophobicContact CB-CG 3.97Å; D173-Q176 PolarHBondContact O-N 3.33Å; D173-Q176 PolarHBondContact OD2-NE2 2.97Å; D173-Y185 PolarHBondContact N-O 2.85Å; D173-Q189 HydrophobicContact CB-CG 3.92Å; D173-Q189 PolarHBondContact OD1-NE2 3.49Å; D173-K192 IonicContact OD1-NZ 3.61Å; D173-K192 IonicContact OD2-NZ 3.27Å; D173-K192 PolarHBondContact OD2-NZ 3.33Å
174	S	90.9	Very high	89	Confident	104 Å²	104	43.1 Å²	43.1	73%	0.727	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	4.7	178.2	57	0	0	0	0	114.7
175	T	93.7	Very high	89.7	Confident	106 Å²	106	44.2 Å²	44.2	65%	0.65	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.9	168.3	67.2	0	0	0	0	113.7	D173	D173-T175 PolarHBondContact O-N 2.93Å; D173-T175 PolarHBondContact OD1-N 3.25Å; D173-T175 PolarHBondContact OD1-OG1 3.13Å; D173-T175 PolarHBondContact OD2-OG1 3.34Å
176	Q	94.6	Very high	89.8	Confident	70 Å²	70	44.1 Å²	44.1	33%	0.327	24%	0.244	S	C	.	.	S	Bend	trans	-94	153.7	176.1	-48.1	-54.9	-32.4	0	0	111.6	D173 D184 Y185	D173-Q176 HydrophobicContact CB-CG 3.97Å; D173-Q176 PolarHBondContact O-N 3.33Å; D173-Q176 PolarHBondContact OD2-NE2 2.97Å; Q176-D184 HydrophobicContact CG-CB 3.99Å; Q176-Y185 WeakPolarHBondContact O-CD2 3.49Å
177	D	95.7	Very high	89.9	Confident	87 Å²	87	41.3 Å²	41.3	47%	0.465	23%	0.225	S	C	.	.			trans	-86.2	117.8	170.3	-168.8	-32.8	0	0	0	109.8	C179 E180 N181	D177-C179 PolarHBondContact O-N 3.02Å; D177-C179 VanDerWaalsContact O-N 3.09Å; D177-C179 VanDerWaalsContact OD1-CB 3.3Å; D177-C179 WeakPolarHBondContact OD1-CB 3.35Å; D177-C179 PolarHBondContact OD1-N 3.06Å; D177-E180 HydrophobicContact CB-CB 4.21Å; D177-E180 HydrophobicContact CB-CG 4.21Å; D177-E180 PolarHBondContact O-N 3Å; D177-E180 VanDerWaalsContact O-N 3.11Å; D177-N181 PolarHBondContact O-N 3.16Å; D177-N181 VanDerWaalsContact O-N 3.07Å
178	P	96	Very high	90.3	Very high	23 Å²	23	39.4 Å²	39.4	15%	0.149	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.7	177.7	25.2	-34.4	0	0	0	113.6	F182 Y185 F837 M845	P178-F182 HydrophobicContact CB-CD2 3.58Å; P178-F182 HydrophobicContact CB-CE2 3.87Å; P178-Y185 HydrophobicContact CB-CD1 3.85Å; P178-Y185 HydrophobicContact CB-CD2 4.15Å; P178-Y185 HydrophobicContact CB-CE1 4.18Å; P178-Y185 HydrophobicContact CB-CE2 4.44Å; P178-Y185 HydrophobicContact CB-CG 3.83Å; P178-Y185 HydrophobicContact CG-CD2 4.39Å; P178-Y185 HydrophobicContact CG-CE2 4.4Å; P178-F837 HydrophobicContact CB-CD1 3.89Å; P178-F837 HydrophobicContact CB-CE1 4.4Å; P178-F837 HydrophobicContact CB-CG 4.39Å; P178-F837 HydrophobicContact CG-CD1 3.97Å; P178-M845 WeakPolarHBondContact O-CG 3.48Å
179	C	97	Very high	90.4	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.068	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.7	180	-63.6	0	0	0	0	114.3	D177 C839 S843 M845	D177-C179 PolarHBondContact O-N 3.02Å; D177-C179 VanDerWaalsContact O-N 3.09Å; D177-C179 VanDerWaalsContact OD1-CB 3.3Å; D177-C179 WeakPolarHBondContact OD1-CB 3.35Å; D177-C179 PolarHBondContact OD1-N 3.06Å; C179-C839 WeakPolarHBondContact CA-SG 3.25Å; C179-C839 HydrophobicContact CB-CB 3.59Å; C179-C839 WeakPolarHBondContact CB-SG 3.29Å; C179-C839 WeakPolarHBondContact SG-CA 3.5Å; C179-C839 WeakPolarHBondContact SG-CB 3.24Å; C179-C839 CovalentContact SG-SG 2.04Å; C179-C839 PolarHBondContact SG-SG 3.31Å; C179-S843 VanDerWaalsContact O-CB 3.26Å; C179-S843 WeakPolarHBondContact O-CB 3.41Å; C179-S843 PolarHBondContact O-OG 2.75Å; C179-M845 VanDerWaalsContact O-CB 3.29Å; C179-M845 WeakPolarHBondContact O-CB 3.23Å; C179-M845 WeakPolarHBondContact O-CG 3.27Å; C179-M845 PolarHBondContact O-N 3.27Å
180	E	95.5	Very high	89.8	Confident	94 Å²	94	37.7 Å²	37.7	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-40.3	173.9	-66.9	-59.7	144.7	0	0	112.3	D177 S843 Q844	D177-E180 HydrophobicContact CB-CB 4.21Å; D177-E180 HydrophobicContact CB-CG 4.21Å; D177-E180 PolarHBondContact O-N 3Å; D177-E180 VanDerWaalsContact O-N 3.11Å; E180-S843 VanDerWaalsContact OE1-CB 3.29Å; E180-S843 WeakPolarHBondContact OE1-CB 3.36Å; E180-Q844 WeakPolarHBondContact O-CB 3.39Å; E180-Q844 VanDerWaalsContact OE2-CG 3.3Å; E180-Q844 WeakPolarHBondContact OE2-CG 3.25Å
181	N	93.1	Very high	89.5	Confident	32 Å²	32	34.4 Å²	34.4	17%	0.171	19%	0.19	C	C	.	.			trans	-148.4	95.1	167.9	-169.9	-2.1	0	0	0	111.9	D177 Y183 D184 Y185 I824	D177-N181 PolarHBondContact O-N 3.16Å; D177-N181 VanDerWaalsContact O-N 3.07Å; N181-Y183 PolarHBondContact O-N 2.85Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.49Å; N181-Y183 PolarHBondContact OD1-N 3.37Å; N181-D184 HydrophobicContact CB-CB 4.3Å; N181-D184 PolarHBondContact ND2-OD2 3.45Å; N181-D184 PolarHBondContact O-N 3.06Å; N181-D184 PolarHBondContact OD1-N 3.4Å; N181-Y185 PolarHBondContact O-N 2.99Å; N181-I824 WeakPolarHBondContact OD1-CD1 3.32Å
182	F	95.1	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-25	177.9	-159.8	-102.7	0	0	0	113.3	P178 Y185 A186 F776 L777 A780 V823 L827 F833 F837 M845	P178-F182 HydrophobicContact CB-CD2 3.58Å; P178-F182 HydrophobicContact CB-CE2 3.87Å; F182-Y185 AromaticContact CD2-CD1 3.9Å; F182-Y185 HydrophobicContact CD2-CD1 3.9Å; F182-Y185 AromaticContact CE2-CD1 3.59Å; F182-Y185 HydrophobicContact CE2-CD1 3.59Å; F182-Y185 AromaticContact CE2-CE1 3.92Å; F182-Y185 HydrophobicContact CE2-CE1 3.92Å; F182-Y185 HydrophobicContact CZ-CD1 4.19Å; F182-Y185 HydrophobicContact CZ-CE1 4.43Å; F182-A186 HydrophobicContact CD1-CB 4.33Å; F182-A186 HydrophobicContact CE1-CB 4.17Å; F182-A186 WeakPolarHBondContact O-CB 3.4Å; F182-A186 PolarHBondContact O-N 3.47Å; F182-F776 HydrophobicContact CE1-CB 4.45Å; F182-F776 HydrophobicContact CZ-CB 4.34Å; F182-L777 HydrophobicContact CZ-CB 4.42Å; F182-A780 HydrophobicContact CD1-CB 3.91Å; F182-A780 HydrophobicContact CE1-CB 3.65Å; F182-V823 HydrophobicContact CB-CG1 4.49Å; F182-V823 HydrophobicContact CD1-CG1 4.13Å; F182-L827 HydrophobicContact CB-CD1 4.33Å; F182-L827 HydrophobicContact CD1-CD1 3.31Å; F182-L827 HydrophobicContact CE1-CD1 3.83Å; F182-L827 HydrophobicContact CG-CD1 3.98Å; F182-F833 HydrophobicContact CB-CE2 4.41Å; F182-F833 HydrophobicContact CB-CZ 4Å; F182-F833 HydrophobicContact CD1-CE2 4.09Å; F182-F833 AromaticContact CD2-CE2 3.53Å; F182-F833 HydrophobicContact CD2-CE2 3.53Å; F182-F833 AromaticContact CD2-CZ 3.49Å; F182-F833 HydrophobicContact CD2-CZ 3.49Å; F182-F833 VanDerWaalsContact CD2-CZ 3.49Å; F182-F833 HydrophobicContact CE1-CE2 4.2Å; F182-F833 AromaticContact CE2-CE2 3.69Å; F182-F833 HydrophobicContact CE2-CE2 3.69Å; F182-F833 HydrophobicContact CE2-CZ 4.06Å; F182-F833 AromaticContact CG-CE2 3.73Å; F182-F833 HydrophobicContact CG-CE2 3.73Å; F182-F833 AromaticContact CG-CZ 3.74Å; F182-F833 HydrophobicContact CG-CZ 3.74Å; F182-F833 HydrophobicContact CZ-CE2 4.02Å; F182-F837 HydrophobicContact CE2-CD1 4.22Å; F182-F837 HydrophobicContact CE2-CD2 4.2Å; F182-F837 AromaticContact CE2-CE1 3.75Å; F182-F837 HydrophobicContact CE2-CE1 3.75Å; F182-F837 AromaticContact CE2-CE2 3.72Å; F182-F837 HydrophobicContact CE2-CE2 3.72Å; F182-F837 HydrophobicContact CE2-CG 4.44Å; F182-F837 AromaticContact CE2-CZ 3.48Å; F182-F837 HydrophobicContact CE2-CZ 3.48Å; F182-F837 VanDerWaalsContact CE2-CZ 3.48Å; F182-F837 HydrophobicContact CZ-CE1 4.35Å; F182-F837 AromaticContact CZ-CE2 3.93Å; F182-F837 HydrophobicContact CZ-CE2 3.93Å; F182-F837 AromaticContact CZ-CZ 3.69Å; F182-F837 HydrophobicContact CZ-CZ 3.69Å; F182-M845 HydrophobicContact CB-CE 3.76Å; F182-M845 HydrophobicContact CB-CG 4.39Å; F182-M845 HydrophobicContact CB-SD 4.14Å
183	Y	90.5	Very high	88.5	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-51.8	174.9	177	-104.6	0	0	0	111.2	N181 Y185 A186 C187 N191 W798 G800 M820 V823	N181-Y183 PolarHBondContact O-N 2.85Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.49Å; N181-Y183 PolarHBondContact OD1-N 3.37Å; Y183-Y185 VanDerWaalsContact C-N 3.31Å; Y183-Y185 PolarHBondContact O-N 2.92Å; Y183-A186 PolarHBondContact O-N 3.08Å; Y183-C187 HydrophobicContact CD2-CB 4.39Å; Y183-C187 HydrophobicContact CE2-CB 3.98Å; Y183-C187 VanDerWaalsContact CE2-SG 3.59Å; Y183-C187 WeakPolarHBondContact O-CB 3.42Å; Y183-C187 PolarHBondContact O-N 3.2Å; Y183-N191 WeakPolarHBondContact CE1-ND2 3.5Å; Y183-N191 PolarHBondContact OH-ND2 2.99Å; Y183-N191 VanDerWaalsContact OH-ND2 3.12Å; Y183-N191 PolarHBondContact OH-OD1 3.2Å; Y183-W798 HydrophobicContact CD2-CB 4.25Å; Y183-W798 HydrophobicContact CE2-CB 4Å; Y183-W798 VanDerWaalsContact CE2-O 3.28Å; Y183-W798 WeakPolarHBondContact CE2-O 3.32Å; Y183-W798 PolarHBondContact OH-O 3.33Å; Y183-W798 VanDerWaalsContact OH-O 3.09Å; Y183-G800 PolarHBondContact OH-N 2.89Å; Y183-G800 VanDerWaalsContact OH-N 3.13Å; Y183-G800 PolarHBondContact OH-O 3.17Å; Y183-M820 HydrophobicContact CD1-CB 3.76Å; Y183-M820 HydrophobicContact CD2-CB 4.2Å; Y183-M820 HydrophobicContact CE1-CB 4.02Å; Y183-M820 HydrophobicContact CE2-CB 4.47Å; Y183-M820 HydrophobicContact CG-CB 3.85Å; Y183-V823 HydrophobicContact CD2-CB 4.45Å; Y183-V823 HydrophobicContact CD2-CG2 4.15Å
184	D	91.1	Very high	87.1	Confident	58 Å²	58	47.2 Å²	47.2	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-32.6	178	-70.1	-19.5	0	0	0	111.6	Q176 N181 G188	Q176-D184 HydrophobicContact CG-CB 3.99Å; N181-D184 HydrophobicContact CB-CB 4.3Å; N181-D184 PolarHBondContact ND2-OD2 3.45Å; N181-D184 PolarHBondContact O-N 3.06Å; N181-D184 PolarHBondContact OD1-N 3.4Å; D184-G188 WeakPolarHBondContact O-CA 3.28Å; D184-G188 PolarHBondContact O-N 3.06Å
185	Y	94.1	Very high	85.8	Confident	27 Å²	27	50.2 Å²	50.2	11%	0.106	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-47.3	171.8	175.5	-98.8	0	0	0	112.8	I172 D173 Q176 P178 N181 F182 Y183 M769 L777 F837	I172-Y185 CarbonylContact C-O 3.15Å; I172-Y185 WeakPolarHBondContact CA-O 3.32Å; I172-Y185 HydrophobicContact CG2-CE1 4.41Å; I172-Y185 HydrophobicContact CG2-CE2 4.17Å; D173-Y185 PolarHBondContact N-O 2.85Å; Q176-Y185 WeakPolarHBondContact O-CD2 3.49Å; P178-Y185 HydrophobicContact CB-CD1 3.85Å; P178-Y185 HydrophobicContact CB-CD2 4.15Å; P178-Y185 HydrophobicContact CB-CE1 4.18Å; P178-Y185 HydrophobicContact CB-CE2 4.44Å; P178-Y185 HydrophobicContact CB-CG 3.83Å; P178-Y185 HydrophobicContact CG-CD2 4.39Å; P178-Y185 HydrophobicContact CG-CE2 4.4Å; N181-Y185 PolarHBondContact O-N 2.99Å; F182-Y185 AromaticContact CD2-CD1 3.9Å; F182-Y185 HydrophobicContact CD2-CD1 3.9Å; F182-Y185 AromaticContact CE2-CD1 3.59Å; F182-Y185 HydrophobicContact CE2-CD1 3.59Å; F182-Y185 AromaticContact CE2-CE1 3.92Å; F182-Y185 HydrophobicContact CE2-CE1 3.92Å; F182-Y185 HydrophobicContact CZ-CD1 4.19Å; F182-Y185 HydrophobicContact CZ-CE1 4.43Å; Y183-Y185 VanDerWaalsContact C-N 3.31Å; Y183-Y185 PolarHBondContact O-N 2.92Å; Y185-M769 VanDerWaalsContact OH-CE 3.23Å; Y185-M769 WeakPolarHBondContact OH-CE 3.12Å; Y185-L777 HydrophobicContact CE1-CD1 4.4Å; Y185-F837 HydrophobicContact CE1-CE1 4.43Å
186	A	89.5	Confident	84.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-77.7	-30.8	-176.1	0	0	0	0	0	113.6	A171 F182 Y183 L777 A780 N781	A171-A186 CarbonylContact C-O 2.77Å; A171-A186 VanDerWaalsContact C-O 3.31Å; A171-A186 WeakPolarHBondContact CB-O 3.32Å; F182-A186 HydrophobicContact CD1-CB 4.33Å; F182-A186 HydrophobicContact CE1-CB 4.17Å; F182-A186 WeakPolarHBondContact O-CB 3.4Å; F182-A186 PolarHBondContact O-N 3.47Å; Y183-A186 PolarHBondContact O-N 3.08Å; A186-L777 HydrophobicContact CB-CD1 3.77Å; A186-A780 HydrophobicContact CB-CB 3.35Å; A186-N781 PolarHBondContact O-ND2 2.84Å
187	C	83.5	Confident	82.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-117.9	-11.3	-169.1	-62.3	0	0	0	0	114.7	A171 Y183 Q189 W190 N191 A780 C799	A171-C187 CarbonylContact O-C 3.52Å; A171-C187 VanDerWaalsContact O-C 3.25Å; Y183-C187 HydrophobicContact CD2-CB 4.39Å; Y183-C187 HydrophobicContact CE2-CB 3.98Å; Y183-C187 VanDerWaalsContact CE2-SG 3.59Å; Y183-C187 WeakPolarHBondContact O-CB 3.42Å; Y183-C187 PolarHBondContact O-N 3.2Å; C187-Q189 VanDerWaalsContact C-N 3.35Å; C187-Q189 PolarHBondContact O-N 3.36Å; C187-W190 WeakPolarHBondContact O-CA 3.44Å; C187-W190 WeakPolarHBondContact O-CB 3.5Å; C187-W190 PolarHBondContact O-N 3.29Å; C187-N191 WeakPolarHBondContact O-CB 3.44Å; C187-N191 PolarHBondContact O-N 3.46Å; C187-A780 PolarHBondContact SG-O 3.23Å; C187-C799 WeakPolarHBondContact CA-SG 3.08Å; C187-C799 HydrophobicContact CB-CB 3.42Å; C187-C799 VanDerWaalsContact CB-CB 3.42Å; C187-C799 WeakPolarHBondContact CB-SG 3.1Å; C187-C799 WeakPolarHBondContact SG-CA 3.41Å; C187-C799 WeakPolarHBondContact SG-CB 3.46Å; C187-C799 PolarHBondContact SG-N 2.96Å; C187-C799 VanDerWaalsContact SG-N 3.45Å; C187-C799 CovalentContact SG-SG 2.03Å; C187-C799 PolarHBondContact SG-SG 3.01Å
188	G	85.4	Confident	81.3	Confident	5 Å²	5	47.1 Å²	47.1	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-36.2	-165.1	0	0	0	0	0	115.1	A171 D184 K192	A171-G188 PolarHBondContact O-N 3.1Å; D184-G188 WeakPolarHBondContact O-CA 3.28Å; D184-G188 PolarHBondContact O-N 3.06Å; G188-K192 WeakPolarHBondContact O-CB 3.28Å; G188-K192 VanDerWaalsContact O-CD 3.27Å; G188-K192 WeakPolarHBondContact O-CD 3.29Å; G188-K192 WeakPolarHBondContact O-CG 3.22Å; G188-K192 PolarHBondContact O-N 2.92Å; G188-K192 VanDerWaalsContact O-N 3.09Å
189	Q	84	Confident	79.6	Confident	56 Å²	56	47.5 Å²	47.5	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-75.6	-34.9	175.9	-66.2	-62.6	-22.7	0	0	111.8	A171 I172 D173 C187 K192 H193	A171-Q189 PolarHBondContact O-N 3.49Å; I172-Q189 WeakPolarHBondContact O-CG 3.11Å; D173-Q189 HydrophobicContact CB-CG 3.92Å; D173-Q189 PolarHBondContact OD1-NE2 3.49Å; C187-Q189 VanDerWaalsContact C-N 3.35Å; C187-Q189 PolarHBondContact O-N 3.36Å; Q189-K192 PolarHBondContact O-N 2.87Å; Q189-H193 PolarHBondContact O-N 3.01Å; Q189-H193 VanDerWaalsContact O-N 3.12Å; Q189-H193 PolarHBondContact O-ND1 3.12Å; Q189-H193 PolarHBondContact OE1-CE1 3.2Å
190	W	74.8	Confident	77.7	Confident	3 Å²	3	47.1 Å²	47.1	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-49	173.1	-171.7	94.8	0	0	0	110	A171 C187 K192 H193 F194 Y203 C799	A171-W190 HydrophobicContact CB-CB 3.8Å; C187-W190 WeakPolarHBondContact O-CA 3.44Å; C187-W190 WeakPolarHBondContact O-CB 3.5Å; C187-W190 PolarHBondContact O-N 3.29Å; W190-K192 PolarHBondContact O-N 3.48Å; W190-H193 PolarHBondContact O-N 3.32Å; W190-H193 VanDerWaalsContact O-N 3.07Å; W190-F194 HydrophobicContact CB-CD2 4.42Å; W190-F194 AromaticContact CD1-CD2 3.44Å; W190-F194 VanDerWaalsContact CD1-CD2 3.44Å; W190-F194 AromaticContact CD1-CE2 3.56Å; W190-F194 AromaticContact CD1-CG 3.99Å; W190-F194 HydrophobicContact CD2-CB 3.93Å; W190-F194 AromaticContact CD2-CD2 3.99Å; W190-F194 HydrophobicContact CD2-CD2 3.99Å; W190-F194 HydrophobicContact CD2-CG 4.04Å; W190-F194 AromaticContact CE2-CD2 3.83Å; W190-F194 AromaticContact CE2-CG 3.56Å; W190-F194 HydrophobicContact CE3-CB 4.14Å; W190-F194 AromaticContact CG-CD2 3.75Å; W190-F194 HydrophobicContact CG-CD2 3.75Å; W190-F194 HydrophobicContact CG-CE2 4.25Å; W190-F194 HydrophobicContact CG-CG 4.29Å; W190-F194 HydrophobicContact CH2-CB 3.82Å; W190-F194 HydrophobicContact CZ2-CB 3.61Å; W190-F194 HydrophobicContact CZ2-CD1 4.12Å; W190-F194 AromaticContact CZ2-CG 3.86Å; W190-F194 HydrophobicContact CZ2-CG 3.86Å; W190-F194 HydrophobicContact CZ3-CB 4.07Å; W190-F194 AromaticContact NE1-CD1 3.81Å; W190-F194 AromaticContact NE1-CD2 3.49Å; W190-F194 AromaticContact NE1-CE2 3.74Å; W190-F194 AromaticContact NE1-CG 3.53Å; W190-F194 WeakPolarHBondContact O-CB 3.37Å; W190-F194 WeakPolarHBondContact O-CD2 3.44Å; W190-F194 PolarHBondContact O-N 3.5Å; W190-Y203 WeakPolarHBondContact CH2-O 3.4Å; W190-C799 HydrophobicContact CB-CB 4.48Å; W190-C799 HydrophobicContact CD2-CB 4.17Å; W190-C799 HydrophobicContact CE3-CB 4.01Å; W190-C799 HydrophobicContact CG-CB 4.37Å; W190-C799 VanDerWaalsContact CZ3-O 3.29Å; W190-C799 WeakPolarHBondContact CZ3-O 3.38Å
191	N	74.4	Confident	75.8	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-34.4	177.1	-76.8	-12.6	0	0	0	113.1	Y183 C187 G800 H801	Y183-N191 WeakPolarHBondContact CE1-ND2 3.5Å; Y183-N191 PolarHBondContact OH-ND2 2.99Å; Y183-N191 VanDerWaalsContact OH-ND2 3.12Å; Y183-N191 PolarHBondContact OH-OD1 3.2Å; C187-N191 WeakPolarHBondContact O-CB 3.44Å; C187-N191 PolarHBondContact O-N 3.46Å; N191-G800 PolarHBondContact OD1-N 2.7Å; N191-H801 VanDerWaalsContact CB-NE2 3.29Å; N191-H801 WeakPolarHBondContact CB-NE2 3.19Å
192	K	78.3	Confident	73.6	Confident	109 Å²	109	42 Å²	42	47%	0.474	20%	0.201	S	C	.	.	H	α-helix	trans	-76.6	-31.5	175.9	-73.7	163.5	-174.4	174.7	0	114.4	D173 G188 Q189 W190	D173-K192 IonicContact OD1-NZ 3.61Å; D173-K192 IonicContact OD2-NZ 3.27Å; D173-K192 PolarHBondContact OD2-NZ 3.33Å; G188-K192 WeakPolarHBondContact O-CB 3.28Å; G188-K192 VanDerWaalsContact O-CD 3.27Å; G188-K192 WeakPolarHBondContact O-CD 3.29Å; G188-K192 WeakPolarHBondContact O-CG 3.22Å; G188-K192 PolarHBondContact O-N 2.92Å; G188-K192 VanDerWaalsContact O-N 3.09Å; Q189-K192 PolarHBondContact O-N 2.87Å; W190-K192 PolarHBondContact O-N 3.48Å
193	H	70	Confident	71.1	Confident	122 Å²	122	45.3 Å²	45.3	57%	0.565	21%	0.214	S	C	*	.	H	α-helix	trans	-99.5	-24.8	-172.8	-70.5	91.8	0	0	0	114.4	Q189 W190 F195	Q189-H193 PolarHBondContact O-N 3.01Å; Q189-H193 VanDerWaalsContact O-N 3.12Å; Q189-H193 PolarHBondContact O-ND1 3.12Å; Q189-H193 PolarHBondContact OE1-CE1 3.2Å; W190-H193 PolarHBondContact O-N 3.32Å; W190-H193 VanDerWaalsContact O-N 3.07Å; H193-F195 PolarHBondContact O-N 3.12Å
194	F	62.9	Low	68.9	Low	58 Å²	58	45.1 Å²	45.1	25%	0.254	21%	0.213	S	C	.	.			trans	-102.6	77.7	-171.5	-74.1	-96.7	0	0	0	112.4	W190 Y203	W190-F194 HydrophobicContact CB-CD2 4.42Å; W190-F194 AromaticContact CD1-CD2 3.44Å; W190-F194 VanDerWaalsContact CD1-CD2 3.44Å; W190-F194 AromaticContact CD1-CE2 3.56Å; W190-F194 AromaticContact CD1-CG 3.99Å; W190-F194 HydrophobicContact CD2-CB 3.93Å; W190-F194 AromaticContact CD2-CD2 3.99Å; W190-F194 HydrophobicContact CD2-CD2 3.99Å; W190-F194 HydrophobicContact CD2-CG 4.04Å; W190-F194 AromaticContact CE2-CD2 3.83Å; W190-F194 AromaticContact CE2-CG 3.56Å; W190-F194 HydrophobicContact CE3-CB 4.14Å; W190-F194 AromaticContact CG-CD2 3.75Å; W190-F194 HydrophobicContact CG-CD2 3.75Å; W190-F194 HydrophobicContact CG-CE2 4.25Å; W190-F194 HydrophobicContact CG-CG 4.29Å; W190-F194 HydrophobicContact CH2-CB 3.82Å; W190-F194 HydrophobicContact CZ2-CB 3.61Å; W190-F194 HydrophobicContact CZ2-CD1 4.12Å; W190-F194 AromaticContact CZ2-CG 3.86Å; W190-F194 HydrophobicContact CZ2-CG 3.86Å; W190-F194 HydrophobicContact CZ3-CB 4.07Å; W190-F194 AromaticContact NE1-CD1 3.81Å; W190-F194 AromaticContact NE1-CD2 3.49Å; W190-F194 AromaticContact NE1-CE2 3.74Å; W190-F194 AromaticContact NE1-CG 3.53Å; W190-F194 WeakPolarHBondContact O-CB 3.37Å; W190-F194 WeakPolarHBondContact O-CD2 3.44Å; W190-F194 PolarHBondContact O-N 3.5Å; F194-Y203 HydrophobicContact CB-CD1 3.8Å; F194-Y203 HydrophobicContact CB-CE1 4.11Å; F194-Y203 HydrophobicContact CD1-CD1 4.12Å; F194-Y203 AromaticContact CD1-CE1 3.76Å; F194-Y203 HydrophobicContact CD1-CE1 3.76Å; F194-Y203 HydrophobicContact CG-CD1 4.48Å; F194-Y203 HydrophobicContact CG-CE1 4.41Å
195	F	63.6	Low	65.9	Low	166 Å²	166	46.9 Å²	46.9	73%	0.728	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-61.6	141.3	177.1	-57.9	-81.7	0	0	0	113.9	H193 P197 Y203	H193-F195 PolarHBondContact O-N 3.12Å; F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.36Å; F195-Y203 WeakPolarHBondContact O-CD1 3.46Å; F195-Y203 WeakPolarHBondContact O-CE1 3.26Å
196	I	61.4	Low	62.9	Low	46 Å²	46	52.4 Å²	52.4	24%	0.236	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.5	117.7	-179.8	-49.8	172	0	0	0	111.7	M200 H801 K803	I196-M200 HydrophobicContact CG2-CB 4.25Å; I196-H801 HydrophobicContact CD1-CB 4.36Å; I196-H801 WeakPolarHBondContact CD1-O 3.46Å; I196-K803 HydrophobicContact CD1-CG 3.72Å; I196-K803 HydrophobicContact CG2-CD 4.37Å; I196-K803 HydrophobicContact CG2-CG 4.41Å
197	P	62.6	Low	59.9	Low	32 Å²	32	55.7 Å²	55.7	21%	0.208	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-59.9	158.6	178.6	-25.2	34	0	0	0	113.1	F195 D199 M200 Y203 K803	F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.36Å; P197-D199 VanDerWaalsContact C-N 3.28Å; P197-D199 PolarHBondContact O-N 3.21Å; P197-M200 HydrophobicContact CB-CB 4.33Å; P197-M200 HydrophobicContact CB-CG 4.18Å; P197-M200 HydrophobicContact CG-CE 4.49Å; P197-M200 HydrophobicContact CG-CG 4.26Å; P197-M200 HydrophobicContact CG-SD 4.03Å; P197-M200 PolarHBondContact O-N 3.12Å; P197-Y203 HydrophobicContact CG-CD2 3.27Å; P197-Y203 HydrophobicContact CG-CE2 3.38Å; P197-Y203 HydrophobicContact CG-CG 3.91Å; P197-K803 PolarHBondContact O-NZ 2.97Å
198	E	64.8	Low	57.2	Low	121 Å²	121	63.3 Å²	63.3	57%	0.565	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-40	173.3	-61.3	-178.2	-179.6	0	0	111.6	M200 Q467 S468	E198-M200 PolarHBondContact O-N 3.35Å; E198-M200 VanDerWaalsContact O-N 3.1Å; E198-Q467 HydrophobicContact CB-CB 4.03Å; E198-Q467 HydrophobicContact CG-CB 4.41Å; E198-Q467 WeakPolarHBondContact O-CA 3.39Å; E198-Q467 PolarHBondContact O-N 3.39Å; E198-S468 VanDerWaalsContact C-OG 3.31Å; E198-S468 WeakPolarHBondContact CB-OG 3.42Å; E198-S468 PolarHBondContact O-N 3.01Å
199	D	59.8	Low	54.4	Low	30 Å²	30	68.5 Å²	68.5	16%	0.16	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	9.6	-179	95.7	-48	0	0	0	114.2	P197 R466 S468 K474	P197-D199 VanDerWaalsContact C-N 3.28Å; P197-D199 PolarHBondContact O-N 3.21Å; D199-R466 WeakPolarHBondContact O-CD 3.41Å; D199-S468 WeakPolarHBondContact CA-OG 3.12Å; D199-S468 PolarHBondContact N-OG 2.92Å; D199-K474 IonicContact OD1-NZ 2.81Å; D199-K474 IonicContact OD2-NZ 2.67Å; D199-K474 PolarHBondContact OD2-NZ 2.73Å
200	M	58	Low	52.1	Low	3 Å²	3	71.9 Å²	71.9	2%	0.015	36%	0.359	C	S	.	.			trans	-135.4	161.6	-175.6	-61.1	-165.7	-171.4	0	0	114.8	I196 P197 E198 G202 Y203 N792 K803	I196-M200 HydrophobicContact CG2-CB 4.25Å; P197-M200 HydrophobicContact CB-CB 4.33Å; P197-M200 HydrophobicContact CB-CG 4.18Å; P197-M200 HydrophobicContact CG-CE 4.49Å; P197-M200 HydrophobicContact CG-CG 4.26Å; P197-M200 HydrophobicContact CG-SD 4.03Å; P197-M200 PolarHBondContact O-N 3.12Å; E198-M200 PolarHBondContact O-N 3.35Å; E198-M200 VanDerWaalsContact O-N 3.1Å; M200-G202 WeakPolarHBondContact CB-O 3.42Å; M200-Y203 HydrophobicContact CE-CD2 4.49Å; M200-Y203 HydrophobicContact SD-CD2 3.93Å; M200-N792 WeakPolarHBondContact CA-OD1 3.43Å; M200-N792 WeakPolarHBondContact CB-OD1 3.49Å; M200-N792 HydrophobicContact CG-CB 4.49Å; M200-N792 HydrophobicContact SD-CB 4.37Å; M200-K803 PolarHBondContact O-NZ 3.49Å
201	S	55.9	Low	50.1	Low	18 Å²	18	75.7 Å²	75.7	13%	0.126	38%	0.38	C	S	.	.	S	Bend	trans	-104.8	-9	167.6	55.6	0	0	0	0	114.2	V464 N792 K803	S201-V464 WeakPolarHBondContact CB-O 3.3Å; S201-N792 PolarHBondContact N-OD1 3.4Å; S201-N792 PolarHBondContact OG-ND2 3.36Å; S201-K803 PolarHBondContact O-N 3.1Å
202	G	46.8	Very low	48	Very low	0 Å²	0	85.5 Å²	85.5	0%	0	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-164.9	156	168.7	0	0	0	0	0	109.3	M200 N792 H801	M200-G202 WeakPolarHBondContact CB-O 3.42Å; G202-N792 PolarHBondContact N-ND2 2.99Å; G202-H801 WeakPolarHBondContact CA-O 3.37Å
203	Y	42	Very low	45.9	Very low	70 Å²	70	84.4 Å²	84.4	28%	0.275	42%	0.418	S	S	.	.			trans	-113.4	158.5	-164.4	-169.2	-152.2	0	0	0	115.9	W190 F194 F195 P197 M200 G794 K795	W190-Y203 WeakPolarHBondContact CH2-O 3.4Å; F194-Y203 HydrophobicContact CB-CD1 3.8Å; F194-Y203 HydrophobicContact CB-CE1 4.11Å; F194-Y203 HydrophobicContact CD1-CD1 4.12Å; F194-Y203 AromaticContact CD1-CE1 3.76Å; F194-Y203 HydrophobicContact CD1-CE1 3.76Å; F194-Y203 HydrophobicContact CG-CD1 4.48Å; F194-Y203 HydrophobicContact CG-CE1 4.41Å; F195-Y203 WeakPolarHBondContact O-CD1 3.46Å; F195-Y203 WeakPolarHBondContact O-CE1 3.26Å; P197-Y203 HydrophobicContact CG-CD2 3.27Å; P197-Y203 HydrophobicContact CG-CE2 3.38Å; P197-Y203 HydrophobicContact CG-CG 3.91Å; M200-Y203 HydrophobicContact CE-CD2 4.49Å; M200-Y203 HydrophobicContact SD-CD2 3.93Å; Y203-G794 CarbonylContact C-O 3.56Å; Y203-G794 VanDerWaalsContact C-O 3.23Å; Y203-K795 VanDerWaalsContact O-CA 3.31Å; Y203-K795 WeakPolarHBondContact O-CA 3.29Å
204	G	44.6	Very low	44.5	Very low	2 Å²	2	83.4 Å²	83.4	2%	0.021	41%	0.409	C	S	.	.			trans	-176.6	-178.1	162.4	0	0	0	0	0	111.5	F206 G794	G204-F206 PolarHBondContact O-N 2.99Å; G204-G794 VanDerWaalsContact CA-C 3.4Å; G204-G794 WeakPolarHBondContact CA-O 3.4Å; G204-G794 PolarHBondContact N-O 3.4Å
205	T	28.3	Very low	43.4	Very low	96 Å²	96	89 Å²	89	59%	0.589	43%	0.428	S	S	*	.	S	Bend	trans	-87.7	62.1	-154.6	-39.5	0	0	0	0	115.8
206	F	30	Very low	42.1	Very low	142 Å²	142	88.4 Å²	88.4	62%	0.623	43%	0.428	S	S	*	.			trans	-147.1	98.8	168.5	-78.8	-66.9	0	0	0	115.7	G204 V793	G204-F206 PolarHBondContact O-N 2.99Å; F206-V793 HydrophobicContact CB-CB 4.31Å; F206-V793 HydrophobicContact CB-CG1 3.8Å; F206-V793 HydrophobicContact CD2-CG1 4.25Å; F206-V793 HydrophobicContact CG-CG1 4.32Å
207	A	27.5	Very low	41.3	Very low	69 Å²	69	91 Å²	91	57%	0.57	44%	0.442	S	S	*	.			trans	-168.5	121.6	148.6	0	0	0	0	0	113.8
208	L	26.8	Very low	40.8	Very low	161 Å²	161	94.1 Å²	94.1	84%	0.843	45%	0.452	S	S	*	.			trans	-148.6	168.9	149.8	-106.5	174.2	0	0	0	109.8
209	V	26.8	Very low	40.2	Very low	114 Å²	114	93.6 Å²	93.6	69%	0.691	46%	0.457	S	S	*	.			trans	64.6	91.9	176.8	-166.1	0	0	0	0	116.8
210	R	35.9	Very low	39.9	Very low	126 Å²	126	95.4 Å²	95.4	48%	0.475	48%	0.476	S	S	.	.				172.2	109.2	129.5	-98.6	163.7	-73	-169.5	-2.2	112.8	W473	R210-W473 VanDerWaalsContact CZ-CD2 3.42Å; R210-W473 VanDerWaalsContact CZ-CG 3.48Å; R210-W473 VanDerWaalsContact NH2-CE3 3.27Å
211	D	32	Very low	39.9	Very low	83 Å²	83	98 Å²	98	44%	0.444	49%	0.489	S	S	.	.	S	Bend	trans	-122.4	-22.6	161.9	-170.4	59.8	0	0	0	114	V213 R214 R215	D211-V213 PolarHBondContact O-N 3.34Å; D211-R214 PolarHBondContact O-N 3.29Å; D211-R215 IonicContact OD2-CZ 3.48Å; D211-R215 IonicContact OD2-NE 3.1Å; D211-R215 PolarHBondContact OD2-NE 2.78Å; D211-R215 IonicContact OD2-NH2 2.9Å; D211-R215 PolarHBondContact OD2-NH2 3.27Å
212	R	29.9	Very low	40.3	Very low	228 Å²	228	99.6 Å²	99.6	86%	0.86	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.5	-173.7	-170.9	168	-80	-176.7	-4.8	114.3
213	V	34.3	Very low	41.1	Very low	86 Å²	86	103.2 Å²	103.2	52%	0.521	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.5	-179.1	-177.6	0	0	0	0	112.7	D211 R215 Q216 L217	D211-V213 PolarHBondContact O-N 3.34Å; V213-R215 VanDerWaalsContact C-N 3.25Å; V213-R215 PolarHBondContact O-N 3.29Å; V213-R215 VanDerWaalsContact O-N 3.15Å; V213-Q216 PolarHBondContact O-N 3.06Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å
214	R	41	Very low	42.5	Very low	101 Å²	101	103 Å²	103	38%	0.381	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-29.7	-168.9	-168.1	176.9	-170.7	160.1	7.2	113.4	D211	D211-R214 PolarHBondContact O-N 3.29Å
215	R	40.2	Very low	44.4	Very low	176 Å²	176	107.7 Å²	107.7	66%	0.664	55%	0.55	S	S	*	.	H	α-helix	trans	-78.5	-28.9	-174.3	-58.7	-178.1	-151.4	-175.7	4	113.6	D211 V213	D211-R215 IonicContact OD2-CZ 3.48Å; D211-R215 IonicContact OD2-NE 3.1Å; D211-R215 PolarHBondContact OD2-NE 2.78Å; D211-R215 IonicContact OD2-NH2 2.9Å; D211-R215 PolarHBondContact OD2-NH2 3.27Å; V213-R215 VanDerWaalsContact C-N 3.25Å; V213-R215 PolarHBondContact O-N 3.29Å; V213-R215 VanDerWaalsContact O-N 3.15Å
216	Q	35.7	Very low	47.3	Very low	153 Å²	153	103.1 Å²	103.1	72%	0.715	52%	0.522	S	S	*	.	H	α-helix	trans	-79.4	-44.4	-175.3	-72.9	173.9	-50.2	0	0	112.5	V213 K218	V213-Q216 PolarHBondContact O-N 3.06Å; Q216-K218 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.22Å
217	L	44.8	Very low	50.1	Low	101 Å²	101	100.5 Å²	100.5	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-32	176.7	-86.4	77.9	0	0	0	113.1	V213 T219 A220 I221	V213-L217 HydrophobicContact CG1-CD1 4.16Å; L217-T219 VanDerWaalsContact C-N 3.31Å; L217-T219 PolarHBondContact O-N 3.46Å; L217-A220 PolarHBondContact O-N 2.93Å; L217-I221 HydrophobicContact CB-CD1 4.36Å; L217-I221 PolarHBondContact O-N 3.42Å; L217-I221 VanDerWaalsContact O-N 3.12Å
218	K	51	Low	52.9	Low	96 Å²	96	99.2 Å²	99.2	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-56.7	-41.1	-174.4	174.5	164.6	167.3	156.1	0	112.8	Q216 N222 E450	Q216-K218 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.22Å; K218-N222 VanDerWaalsContact O-CB 3.29Å; K218-N222 WeakPolarHBondContact O-CB 3.46Å; K218-N222 VanDerWaalsContact O-CG 3.25Å; K218-N222 PolarHBondContact O-N 2.94Å; K218-E450 WeakPolarHBondContact CE-OE2 3.48Å; K218-E450 IonicContact NZ-OE1 3.96Å; K218-E450 PolarHBondContact NZ-OE1 3.32Å; K218-E450 IonicContact NZ-OE2 3.47Å; K218-E450 PolarHBondContact NZ-OE2 2.91Å
219	T	52.6	Low	56	Low	110 Å²	110	91.6 Å²	91.6	68%	0.675	45%	0.453	S	S	*	.	H	α-helix	trans	-68.8	-39.2	-179.1	-48.3	0	0	0	0	112.4	L217	L217-T219 VanDerWaalsContact C-N 3.31Å; L217-T219 PolarHBondContact O-N 3.46Å
220	A	53.3	Low	59.1	Low	69 Å²	69	87.4 Å²	87.4	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-71.5	-44.3	-178.7	0	0	0	0	0	112.3	L217 A223	L217-A220 PolarHBondContact O-N 2.93Å; A220-A223 PolarHBondContact O-N 3.16Å
221	I	57.6	Low	61.8	Low	56 Å²	56	87.6 Å²	87.6	29%	0.287	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-42.6	179.4	-62.4	173.1	0	0	0	110.6	L217 A223 L224 L448	L217-I221 HydrophobicContact CB-CD1 4.36Å; L217-I221 PolarHBondContact O-N 3.42Å; L217-I221 VanDerWaalsContact O-N 3.12Å; I221-A223 PolarHBondContact O-N 2.86Å; I221-A223 VanDerWaalsContact O-N 3.1Å; I221-L224 PolarHBondContact O-N 3.35Å; I221-L224 VanDerWaalsContact O-N 3.12Å; I221-L448 WeakPolarHBondContact CG2-O 3.44Å
222	N	64.4	Low	64.7	Low	53 Å²	53	84.1 Å²	84.1	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-10.4	-179.6	-72.7	5.7	0	0	0	114.3	K218 E450	K218-N222 VanDerWaalsContact O-CB 3.29Å; K218-N222 WeakPolarHBondContact O-CB 3.46Å; K218-N222 VanDerWaalsContact O-CG 3.25Å; K218-N222 PolarHBondContact O-N 2.94Å; N222-E450 PolarHBondContact OD1-N 3.41Å
223	A	65.2	Low	67.7	Low	76 Å²	76	73.5 Å²	73.5	63%	0.628	37%	0.373	S	S	*	.	H	α-helix	trans	-78.2	-31.3	172.5	0	0	0	0	0	113.1	A220 I221 K225	A220-A223 PolarHBondContact O-N 3.16Å; I221-A223 PolarHBondContact O-N 2.86Å; I221-A223 VanDerWaalsContact O-N 3.1Å; A223-K225 VanDerWaalsContact C-N 3.33Å; A223-K225 PolarHBondContact O-N 3.03Å
224	L	70	Confident	70.4	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-76	-18.9	-176.7	-66.5	174.6	0	0	0	113.7	I221 S226 E227 T571	I221-L224 PolarHBondContact O-N 3.35Å; I221-L224 VanDerWaalsContact O-N 3.12Å; L224-S226 PolarHBondContact O-N 3Å; L224-E227 WeakPolarHBondContact O-CB 3.25Å; L224-E227 PolarHBondContact O-N 3.2Å; L224-T571 HydrophobicContact CD1-CG2 4.44Å
225	K	84.2	Confident	72.8	Confident	101 Å²	101	73.7 Å²	73.7	44%	0.439	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	-127.8	175.5	-69.1	-179.9	144	-139.9	0	112.6	A223 D330 D449	A223-K225 VanDerWaalsContact C-N 3.33Å; A223-K225 PolarHBondContact O-N 3.03Å; K225-D330 WeakPolarHBondContact CB-OD2 3.35Å; K225-D330 IonicContact NZ-OD1 3.64Å; K225-D330 PolarHBondContact NZ-OD1 3.04Å; K225-D449 WeakPolarHBondContact CA-OD2 3.15Å
226	S	89.6	Confident	75.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.8	175.9	-49.3	0	0	0	0	113.2	L224 K228 I229 I230 D330 Y452	L224-S226 PolarHBondContact O-N 3Å; S226-K228 PolarHBondContact O-N 3.26Å; S226-I229 VanDerWaalsContact O-CG2 3.22Å; S226-I229 WeakPolarHBondContact O-CG2 3.47Å; S226-I229 PolarHBondContact O-N 3.44Å; S226-I230 VanDerWaalsContact O-CG1 3.29Å; S226-I230 WeakPolarHBondContact O-CG1 3.24Å; S226-I230 PolarHBondContact O-N 3.42Å; S226-D330 VanDerWaalsContact CB-OD2 3.28Å; S226-D330 WeakPolarHBondContact CB-OD2 3.25Å; S226-D330 PolarHBondContact N-OD2 3.45Å; S226-D330 PolarHBondContact OG-OD2 3Å; S226-Y452 WeakPolarHBondContact CB-OH 2.97Å; S226-Y452 PolarHBondContact OG-OH 3.24Å
227	E	88.6	Confident	77.8	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-44	-168.4	-167.1	-150.1	131.4	0	0	112.7	L224 K231	L224-E227 WeakPolarHBondContact O-CB 3.25Å; L224-E227 PolarHBondContact O-N 3.2Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 2.95Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.49Å; E227-K231 IonicContact OE1-NZ 3.13Å; E227-K231 PolarHBondContact OE1-NZ 3.15Å
228	K	87.7	Confident	79.9	Confident	42 Å²	42	55.8 Å²	55.8	18%	0.183	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-45.2	178.7	-65.4	-73.1	-167.4	173.7	0	111.7	S226 K231 V232 F573 E574	S226-K228 PolarHBondContact O-N 3.26Å; K228-K231 PolarHBondContact O-N 3.18Å; K228-V232 PolarHBondContact O-N 3.04Å; K228-F573 HydrophobicContact CB-CD1 4.25Å; K228-F573 HydrophobicContact CB-CD2 4Å; K228-F573 HydrophobicContact CB-CE1 4.38Å; K228-F573 HydrophobicContact CB-CE2 4.12Å; K228-F573 HydrophobicContact CB-CG 4.07Å; K228-F573 HydrophobicContact CB-CZ 4.31Å; K228-F573 HydrophobicContact CG-CG 4.38Å; K228-E574 VanDerWaalsContact NZ-CD 3.3Å; K228-E574 IonicContact NZ-OE1 2.71Å; K228-E574 PolarHBondContact NZ-OE1 3.33Å; K228-E574 IonicContact NZ-OE2 3.61Å; K228-E574 PolarHBondContact NZ-OE2 2.78Å; K228-E574 VanDerWaalsContact NZ-OE2 3.14Å
229	I	90.4	Very high	82	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-72.1	-38.2	179.8	-166.9	63.4	0	0	0	111.8	S226 K231 V232 L233 I327 T441 W444 L448	S226-I229 VanDerWaalsContact O-CG2 3.22Å; S226-I229 WeakPolarHBondContact O-CG2 3.47Å; S226-I229 PolarHBondContact O-N 3.44Å; I229-K231 VanDerWaalsContact C-N 3.29Å; I229-K231 PolarHBondContact O-N 3.45Å; I229-V232 HydrophobicContact CD1-CB 4.43Å; I229-V232 PolarHBondContact O-N 3.37Å; I229-V232 VanDerWaalsContact O-N 3.08Å; I229-L233 HydrophobicContact CG1-CD1 4.19Å; I229-L233 HydrophobicContact CG1-CG 4.28Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.01Å; I229-I327 HydrophobicContact CG2-CD1 4.49Å; I229-T441 HydrophobicContact CG1-CG2 4.37Å; I229-W444 HydrophobicContact CD1-CB 4.35Å; I229-L448 HydrophobicContact CB-CD1 3.94Å; I229-L448 HydrophobicContact CB-CD2 4.16Å; I229-L448 HydrophobicContact CG2-CD1 3.56Å; I229-L448 HydrophobicContact CG2-CD2 4.26Å
230	I	92.2	Very high	84	Confident	27 Å²	27	46 Å²	46	14%	0.138	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-41.1	174.6	-68	163	0	0	0	110.9	S226 L233 K234 I327 D330 M331	S226-I230 VanDerWaalsContact O-CG1 3.29Å; S226-I230 WeakPolarHBondContact O-CG1 3.24Å; S226-I230 PolarHBondContact O-N 3.42Å; I230-L233 PolarHBondContact O-N 2.97Å; I230-K234 HydrophobicContact CG2-CD 4.29Å; I230-K234 WeakPolarHBondContact O-CG 3.39Å; I230-K234 PolarHBondContact O-N 3.18Å; I230-I327 HydrophobicContact CD1-CG2 4.15Å; I230-I327 HydrophobicContact CG1-CG2 3.73Å; I230-D330 HydrophobicContact CD1-CB 4.38Å; I230-M331 HydrophobicContact CD1-CG 3.66Å; I230-M331 HydrophobicContact CD1-SD 4.39Å; I230-M331 HydrophobicContact CG1-CG 4.14Å; I230-M331 HydrophobicContact CG1-SD 4.23Å; I230-M331 HydrophobicContact CG2-CG 4.44Å; I230-M331 HydrophobicContact CG2-SD 4.45Å
231	K	92.4	Very high	86	Confident	130 Å²	130	43 Å²	43	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-62.1	-41.1	174.2	-77.7	173.8	170.1	176.6	0	112.4	E227 K228 I229 S235	E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 2.95Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.49Å; E227-K231 IonicContact OE1-NZ 3.13Å; E227-K231 PolarHBondContact OE1-NZ 3.15Å; K228-K231 PolarHBondContact O-N 3.18Å; I229-K231 VanDerWaalsContact C-N 3.29Å; I229-K231 PolarHBondContact O-N 3.45Å; K231-S235 PolarHBondContact O-N 2.93Å; K231-S235 VanDerWaalsContact O-N 3.1Å
232	V	92.6	Very high	87.7	Confident	10 Å²	10	40.6 Å²	40.6	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-47.9	175.8	170.8	0	0	0	0	111.8	K228 I229 K234 S235 L236 Y264 L440 F573	K228-V232 PolarHBondContact O-N 3.04Å; I229-V232 HydrophobicContact CD1-CB 4.43Å; I229-V232 PolarHBondContact O-N 3.37Å; I229-V232 VanDerWaalsContact O-N 3.08Å; V232-K234 VanDerWaalsContact C-N 3.3Å; V232-K234 PolarHBondContact O-N 2.68Å; V232-S235 WeakPolarHBondContact O-CA 3.31Å; V232-S235 WeakPolarHBondContact O-CB 3.39Å; V232-S235 PolarHBondContact O-N 2.75Å; V232-S235 PolarHBondContact O-OG 2.97Å; V232-L236 HydrophobicContact CG1-CD1 4.23Å; V232-L236 PolarHBondContact O-N 3.25Å; V232-Y264 HydrophobicContact CG1-CE1 4.04Å; V232-Y264 HydrophobicContact CG1-CE2 4.13Å; V232-Y264 WeakPolarHBondContact CG1-OH 3.26Å; V232-Y264 HydrophobicContact CG2-CE1 4.11Å; V232-Y264 WeakPolarHBondContact CG2-OH 3.43Å; V232-L440 HydrophobicContact CG1-CD2 3.76Å; V232-F573 HydrophobicContact CG2-CE1 3.89Å; V232-F573 HydrophobicContact CG2-CZ 3.8Å
233	L	93.2	Very high	88.9	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-44.1	178.1	-67.6	167.1	0	0	0	111.6	I229 I230 S235 L236 G238 W239 L437	I229-L233 HydrophobicContact CG1-CD1 4.19Å; I229-L233 HydrophobicContact CG1-CG 4.28Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.01Å; I230-L233 PolarHBondContact O-N 2.97Å; L233-S235 PolarHBondContact O-N 3.5Å; L233-L236 PolarHBondContact O-N 2.93Å; L233-L236 VanDerWaalsContact O-N 3.13Å; L233-G238 WeakPolarHBondContact O-CA 3.45Å; L233-G238 PolarHBondContact O-N 2.77Å; L233-W239 HydrophobicContact CD1-CE3 3.71Å; L233-W239 HydrophobicContact CD1-CZ3 4.41Å; L233-W239 HydrophobicContact CD2-CB 4.27Å; L233-W239 HydrophobicContact CD2-CD2 4.28Å; L233-W239 HydrophobicContact CD2-CE3 3.99Å; L233-W239 HydrophobicContact CD2-CG 4.43Å; L233-L437 HydrophobicContact CD2-CB 3.84Å; L233-L437 HydrophobicContact CD2-CD1 4.4Å; L233-L437 HydrophobicContact CD2-CD2 4.06Å; L233-L437 HydrophobicContact CD2-CG 4.31Å
234	K	91.5	Very high	89.6	Confident	121 Å²	121	43.4 Å²	43.4	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-34.9	175.4	-70.5	-175.7	175.9	-166.5	0	113.3	I230 V232 L236 G237 E243	I230-K234 HydrophobicContact CG2-CD 4.29Å; I230-K234 WeakPolarHBondContact O-CG 3.39Å; I230-K234 PolarHBondContact O-N 3.18Å; V232-K234 VanDerWaalsContact C-N 3.3Å; V232-K234 PolarHBondContact O-N 2.68Å; K234-L236 PolarHBondContact O-N 2.95Å; K234-G237 PolarHBondContact O-N 3.19Å; K234-E243 WeakPolarHBondContact CE-OE1 3.21Å
235	S	91	Very high	90.2	Very high	69 Å²	69	45 Å²	45	48%	0.483	25%	0.247	S	C	.	.	H	α-helix	trans	-68	-11.3	173.8	76.7	0	0	0	0	114.5	K231 V232 L233	K231-S235 PolarHBondContact O-N 2.93Å; K231-S235 VanDerWaalsContact O-N 3.1Å; V232-S235 WeakPolarHBondContact O-CA 3.31Å; V232-S235 WeakPolarHBondContact O-CB 3.39Å; V232-S235 PolarHBondContact O-N 2.75Å; V232-S235 PolarHBondContact O-OG 2.97Å; L233-S235 PolarHBondContact O-N 3.5Å
236	L	91.6	Very high	90.5	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	14.3	176.5	-61.4	175.3	0	0	0	113.1	V232 L233 K234 I256 K259 M260 L437 L440	V232-L236 HydrophobicContact CG1-CD1 4.23Å; V232-L236 PolarHBondContact O-N 3.25Å; L233-L236 PolarHBondContact O-N 2.93Å; L233-L236 VanDerWaalsContact O-N 3.13Å; K234-L236 PolarHBondContact O-N 2.95Å; L236-I256 WeakPolarHBondContact O-CD1 3.3Å; L236-K259 HydrophobicContact CD2-CB 3.63Å; L236-K259 HydrophobicContact CD2-CD 3.74Å; L236-K259 HydrophobicContact CD2-CG 4.31Å; L236-M260 HydrophobicContact CD1-CG 4.37Å; L236-L437 HydrophobicContact CB-CD2 3.89Å; L236-L437 HydrophobicContact CD1-CD2 3.66Å; L236-L437 HydrophobicContact CG-CD2 4.44Å; L236-L440 HydrophobicContact CD1-CD2 3.33Å
237	G	88.8	Confident	90	Very high	42 Å²	42	48 Å²	48	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	14.6	177.7	0	0	0	0	0	115.3	K234 W246	K234-G237 PolarHBondContact O-N 3.19Å; G237-W246 VanDerWaalsContact O-CD1 3.26Å; G237-W246 PolarHBondContact O-NE1 3.04Å
238	G	90.7	Very high	89.6	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.261	C	S	.	.			trans	80.9	157.3	-178.4	0	0	0	0	0	112.4	L233 P240 E243 L437	L233-G238 WeakPolarHBondContact O-CA 3.45Å; L233-G238 PolarHBondContact O-N 2.77Å; G238-P240 WeakPolarHBondContact O-CD 3.25Å; G238-E243 WeakPolarHBondContact CA-OE2 3.43Å; G238-L437 WeakPolarHBondContact O-CD1 3.33Å
239	W	94.2	Very high	88.8	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	29%	0.291	C	S	.	.			trans	-100.1	108.6	176.5	-165.2	-0.1	0	0	0	109.2	L233 I241 L242 E243 F320 V324 I327 N434 L437 W438 T441	L233-W239 HydrophobicContact CD1-CE3 3.71Å; L233-W239 HydrophobicContact CD1-CZ3 4.41Å; L233-W239 HydrophobicContact CD2-CB 4.27Å; L233-W239 HydrophobicContact CD2-CD2 4.28Å; L233-W239 HydrophobicContact CD2-CE3 3.99Å; L233-W239 HydrophobicContact CD2-CG 4.43Å; W239-I241 VanDerWaalsContact C-N 3.29Å; W239-I241 HydrophobicContact CD2-CG2 3.8Å; W239-I241 HydrophobicContact CG-CG2 3.86Å; W239-I241 HydrophobicContact CZ2-CG2 4.12Å; W239-I241 PolarHBondContact O-N 3.27Å; W239-I241 VanDerWaalsContact O-N 3.12Å; W239-L242 HydrophobicContact CB-CB 4.44Å; W239-L242 HydrophobicContact CB-CD1 4.21Å; W239-L242 HydrophobicContact CB-CG 4.44Å; W239-L242 HydrophobicContact CD2-CD1 4.16Å; W239-L242 HydrophobicContact CD2-CG 4.47Å; W239-L242 HydrophobicContact CE3-CD1 3.54Å; W239-L242 HydrophobicContact CE3-CG 4.25Å; W239-L242 HydrophobicContact CG-CD1 4.47Å; W239-L242 HydrophobicContact CZ3-CD1 4.27Å; W239-L242 CarbonylContact O-C 3.36Å; W239-L242 WeakPolarHBondContact O-CA 3.44Å; W239-L242 WeakPolarHBondContact O-CB 3.27Å; W239-L242 PolarHBondContact O-N 3.28Å; W239-E243 PolarHBondContact O-N 3.47Å; W239-F320 HydrophobicContact CH2-CE2 4.19Å; W239-F320 AromaticContact CZ2-CE2 3.87Å; W239-F320 HydrophobicContact CZ2-CE2 3.87Å; W239-F320 HydrophobicContact CZ2-CZ 4.44Å; W239-V324 HydrophobicContact CH2-CG2 4.01Å; W239-V324 HydrophobicContact CZ2-CG2 4.33Å; W239-I327 HydrophobicContact CE3-CD1 4.46Å; W239-I327 HydrophobicContact CZ3-CD1 3.77Å; W239-N434 PolarHBondContact NE1-O 3.48Å; W239-N434 PolarHBondContact NE1-OD1 2.85Å; W239-L437 HydrophobicContact CB-CD1 3.96Å; W239-L437 HydrophobicContact CD2-CB 4.08Å; W239-L437 HydrophobicContact CG-CB 3.86Å; W239-L437 HydrophobicContact CG-CD1 4.09Å; W239-W438 HydrophobicContact CH2-CE3 4.3Å; W239-W438 HydrophobicContact CZ2-CB 3.88Å; W239-T441 HydrophobicContact CH2-CG2 4.3Å; W239-T441 HydrophobicContact CZ3-CG2 3.99Å; W239-T441 WeakPolarHBondContact CZ3-OG1 3.37Å
240	P	94.9	Very high	87.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-50	-42.1	-171.6	-9.5	-3.5	0	0	0	115.3	G238 L242 E243 W246 R430 V433 N434	G238-P240 WeakPolarHBondContact O-CD 3.25Å; P240-L242 PolarHBondContact O-N 2.72Å; P240-L242 VanDerWaalsContact O-N 3.12Å; P240-E243 CarbonylContact O-C 3.52Å; P240-E243 PolarHBondContact O-N 2.97Å; P240-E243 VanDerWaalsContact O-O 3.1Å; P240-W246 HydrophobicContact CB-CB 4.21Å; P240-W246 HydrophobicContact CB-CD2 3.72Å; P240-W246 HydrophobicContact CB-CE3 3.9Å; P240-W246 HydrophobicContact CB-CG 3.86Å; P240-W246 HydrophobicContact CG-CD2 3.71Å; P240-W246 HydrophobicContact CG-CE3 4.08Å; P240-W246 HydrophobicContact CG-CG 4.1Å; P240-W246 HydrophobicContact CG-CH2 4.33Å; P240-W246 HydrophobicContact CG-CZ2 3.99Å; P240-W246 HydrophobicContact CG-CZ3 4.37Å; P240-R430 HydrophobicContact CB-CG 3.61Å; P240-R430 HydrophobicContact CG-CG 4.08Å; P240-R430 PolarHBondContact O-NH2 3.29Å; P240-V433 HydrophobicContact CG-CB 4.16Å; P240-V433 HydrophobicContact CG-CG1 3.86Å; P240-N434 WeakPolarHBondContact CB-OD1 3.49Å; P240-N434 VanDerWaalsContact CG-OD1 3.27Å; P240-N434 WeakPolarHBondContact CG-OD1 3.41Å
241	I	95.3	Very high	87.3	Confident	4 Å²	4	60 Å²	60	2%	0.021	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-60.3	-19	176.9	-162.6	170.3	0	0	0	114.3	W239 V324 M339 E342 V343 I346 N434	W239-I241 VanDerWaalsContact C-N 3.29Å; W239-I241 HydrophobicContact CD2-CG2 3.8Å; W239-I241 HydrophobicContact CG-CG2 3.86Å; W239-I241 HydrophobicContact CZ2-CG2 4.12Å; W239-I241 PolarHBondContact O-N 3.27Å; W239-I241 VanDerWaalsContact O-N 3.12Å; I241-V324 HydrophobicContact CD1-CG1 4.19Å; I241-V324 HydrophobicContact CD1-CG2 4.28Å; I241-V324 HydrophobicContact CG1-CG1 4.32Å; I241-V324 HydrophobicContact CG2-CG1 4.44Å; I241-M339 HydrophobicContact CD1-CB 4.48Å; I241-M339 HydrophobicContact CG1-CB 4.17Å; I241-M339 HydrophobicContact CG1-CG 4.16Å; I241-M339 WeakPolarHBondContact O-CE 3.36Å; I241-E342 HydrophobicContact CD1-CB 3.65Å; I241-E342 HydrophobicContact CG1-CB 3.86Å; I241-E342 HydrophobicContact CG1-CG 4.49Å; I241-V343 HydrophobicContact CD1-CG2 3.83Å; I241-I346 HydrophobicContact CD1-CD1 4.36Å; I241-N434 WeakPolarHBondContact CB-OD1 3.35Å; I241-N434 PolarHBondContact N-OD1 2.96Å
242	L	93.8	Very high	87.2	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-105.3	-4.4	175.6	-61.9	177.3	0	0	0	112.8	W239 P240 V324 I327 A328 M331 M333	W239-L242 HydrophobicContact CB-CB 4.44Å; W239-L242 HydrophobicContact CB-CD1 4.21Å; W239-L242 HydrophobicContact CB-CG 4.44Å; W239-L242 HydrophobicContact CD2-CD1 4.16Å; W239-L242 HydrophobicContact CD2-CG 4.47Å; W239-L242 HydrophobicContact CE3-CD1 3.54Å; W239-L242 HydrophobicContact CE3-CG 4.25Å; W239-L242 HydrophobicContact CG-CD1 4.47Å; W239-L242 HydrophobicContact CZ3-CD1 4.27Å; W239-L242 CarbonylContact O-C 3.36Å; W239-L242 WeakPolarHBondContact O-CA 3.44Å; W239-L242 WeakPolarHBondContact O-CB 3.27Å; W239-L242 PolarHBondContact O-N 3.28Å; P240-L242 PolarHBondContact O-N 2.72Å; P240-L242 VanDerWaalsContact O-N 3.12Å; L242-V324 HydrophobicContact CD2-CG1 3.95Å; L242-I327 HydrophobicContact CD1-CB 4.07Å; L242-I327 HydrophobicContact CD1-CG2 3.46Å; L242-I327 VanDerWaalsContact CD1-CG2 3.46Å; L242-A328 HydrophobicContact CD2-CB 3.86Å; L242-M331 HydrophobicContact CB-CE 4.13Å; L242-M331 HydrophobicContact CB-SD 4.25Å; L242-M331 HydrophobicContact CD1-SD 3.96Å; L242-M333 HydrophobicContact CB-CE 4.02Å; L242-M333 HydrophobicContact CD2-CE 3.97Å; L242-M333 VanDerWaalsContact O-CE 3.28Å; L242-M333 WeakPolarHBondContact O-CE 3.13Å
243	E	88.6	Confident	87.2	Confident	44 Å²	44	56.9 Å²	56.9	21%	0.206	31%	0.313	C	S	.	.			trans	-138.5	91.8	-171.2	-64.9	-172.7	-172.9	0	0	110.1	K234 G238 W239 P240 S245 W246 M331	K234-E243 WeakPolarHBondContact CE-OE1 3.21Å; G238-E243 WeakPolarHBondContact CA-OE2 3.43Å; W239-E243 PolarHBondContact O-N 3.47Å; P240-E243 CarbonylContact O-C 3.52Å; P240-E243 PolarHBondContact O-N 2.97Å; P240-E243 VanDerWaalsContact O-O 3.1Å; E243-S245 PolarHBondContact O-N 2.88Å; E243-S245 VanDerWaalsContact O-N 3.16Å; E243-W246 HydrophobicContact CB-CB 4.27Å; E243-W246 WeakPolarHBondContact O-CB 3.32Å; E243-W246 PolarHBondContact O-N 3.26Å; E243-M331 HydrophobicContact CG-CE 4.41Å
244	T	80.2	Confident	87.3	Confident	143 Å²	143	56.7 Å²	56.7	88%	0.877	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.3	-179.2	52.4	0	0	0	0	114
245	S	83.6	Confident	87.5	Confident	99 Å²	99	53.2 Å²	53.2	69%	0.692	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.3	173.9	56.4	0	0	0	0	114.3	E243 Q247	E243-S245 PolarHBondContact O-N 2.88Å; E243-S245 VanDerWaalsContact O-N 3.16Å; S245-Q247 PolarHBondContact O-N 3Å
246	W	88.8	Confident	87.7	Confident	30 Å²	30	50.2 Å²	50.2	11%	0.114	28%	0.277	C	S	.	.			trans	-63.7	131.1	-178.3	-176	93.9	0	0	0	111.8	G237 P240 E243 Q248 V251 R430 V433	G237-W246 VanDerWaalsContact O-CD1 3.26Å; G237-W246 PolarHBondContact O-NE1 3.04Å; P240-W246 HydrophobicContact CB-CB 4.21Å; P240-W246 HydrophobicContact CB-CD2 3.72Å; P240-W246 HydrophobicContact CB-CE3 3.9Å; P240-W246 HydrophobicContact CB-CG 3.86Å; P240-W246 HydrophobicContact CG-CD2 3.71Å; P240-W246 HydrophobicContact CG-CE3 4.08Å; P240-W246 HydrophobicContact CG-CG 4.1Å; P240-W246 HydrophobicContact CG-CH2 4.33Å; P240-W246 HydrophobicContact CG-CZ2 3.99Å; P240-W246 HydrophobicContact CG-CZ3 4.37Å; E243-W246 HydrophobicContact CB-CB 4.27Å; E243-W246 WeakPolarHBondContact O-CB 3.32Å; E243-W246 PolarHBondContact O-N 3.26Å; W246-Q248 HydrophobicContact CZ3-CB 4.14Å; W246-V251 HydrophobicContact CZ2-CB 4.11Å; W246-V251 HydrophobicContact CZ2-CG1 4.37Å; W246-V251 HydrophobicContact CZ2-CG2 3.66Å; W246-R430 HydrophobicContact CE3-CG 4.31Å; W246-R430 HydrophobicContact CH2-CB 4.45Å; W246-R430 HydrophobicContact CZ3-CB 3.88Å; W246-R430 HydrophobicContact CZ3-CG 4.07Å; W246-V433 HydrophobicContact CH2-CB 4.43Å; W246-V433 HydrophobicContact CH2-CG2 4.26Å; W246-V433 HydrophobicContact CZ2-CB 4.04Å; W246-V433 HydrophobicContact CZ2-CG1 3.95Å; W246-V433 HydrophobicContact CZ2-CG2 3.92Å
247	Q	80.1	Confident	87.9	Confident	133 Å²	133	50.2 Å²	50.2	62%	0.621	28%	0.277	S	S	*	.			trans	-116.3	144.2	-178.8	-62	-161.2	15.7	0	0	112.8	S245	S245-Q247 PolarHBondContact O-N 3Å
248	Q	79.6	Confident	88.2	Confident	86 Å²	86	48.2 Å²	48.2	40%	0.402	26%	0.256	S	S	.	.	S	Bend	trans	-77.9	-20.5	-170	-176.1	168.2	16.8	0	0	115.1	W246 D428 K429	W246-Q248 HydrophobicContact CZ3-CB 4.14Å; Q248-D428 PolarHBondContact NE2-OD2 3.16Å; Q248-K429 HydrophobicContact CG-CB 3.95Å; Q248-K429 HydrophobicContact CG-CD 3.9Å; Q248-K429 HydrophobicContact CG-CG 4.23Å; Q248-K429 PolarHBondContact O-NZ 2.71Å
249	M	71.1	Confident	88.3	Confident	165 Å²	165	50.6 Å²	50.6	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-72	-41.6	-173.3	-80	178.2	52.6	0	0	112.7	V251	M249-V251 PolarHBondContact O-N 3.28Å
250	D	69.3	Low	88.3	Confident	142 Å²	142	50.6 Å²	50.6	76%	0.759	27%	0.266	S	S	*	.	S	Bend	trans	-79.3	-3.4	-169.4	-56	-40	0	0	0	114.1
251	V	82	Confident	88.2	Confident	16 Å²	16	50.7 Å²	50.7	10%	0.097	27%	0.266	C	S	.	.			trans	-105.7	117.9	-169.9	-178.3	0	0	0	0	112.9	W246 M249 I256 K429 V433	W246-V251 HydrophobicContact CZ2-CB 4.11Å; W246-V251 HydrophobicContact CZ2-CG1 4.37Å; W246-V251 HydrophobicContact CZ2-CG2 3.66Å; M249-V251 PolarHBondContact O-N 3.28Å; V251-I256 HydrophobicContact CG1-CD1 3.56Å; V251-K429 PolarHBondContact O-NZ 3.06Å; V251-V433 HydrophobicContact CG1-CG2 3.79Å
252	D	89.8	Confident	88	Confident	50 Å²	50	50.6 Å²	50.6	27%	0.267	27%	0.266	S	S	.	.			trans	-92.9	118.6	165.5	-164.3	-34.1	0	0	0	110	T254 E255 I256 K386	D252-T254 PolarHBondContact O-N 3.35Å; D252-T254 WeakPolarHBondContact OD1-CA 3.42Å; D252-T254 WeakPolarHBondContact OD1-CB 3.48Å; D252-T254 PolarHBondContact OD1-N 2.88Å; D252-T254 PolarHBondContact OD1-OG1 3.42Å; D252-E255 HydrophobicContact CB-CB 4.11Å; D252-E255 PolarHBondContact O-N 3.03Å; D252-I256 PolarHBondContact O-N 3.01Å; D252-K386 WeakPolarHBondContact OD2-CE 3.03Å; D252-K386 IonicContact OD2-NZ 2.65Å; D252-K386 PolarHBondContact OD2-NZ 3.48Å
253	L	93.1	Very high	87.7	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-32.7	177.4	-68.7	167.6	0	0	0	111.8	E255 I256 I257 L432 V433 L436	L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 3.32Å; L253-I256 PolarHBondContact O-N 3.22Å; L253-I257 HydrophobicContact CB-CD1 4.42Å; L253-I257 WeakPolarHBondContact O-CD1 3.43Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.44Å; L253-I257 PolarHBondContact O-N 3.35Å; L253-L432 HydrophobicContact CD1-CB 4.44Å; L253-L432 HydrophobicContact CD1-CD1 3.7Å; L253-L432 HydrophobicContact CD2-CB 3.92Å; L253-V433 HydrophobicContact CD2-CG2 3.64Å; L253-L436 HydrophobicContact CD2-CD1 3.98Å
254	T	95.5	Very high	87.7	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-42.1	177.8	-39.8	0	0	0	0	111.1	D252 I256 I257 G258 I385 K386 R389 F390	D252-T254 PolarHBondContact O-N 3.35Å; D252-T254 WeakPolarHBondContact OD1-CA 3.42Å; D252-T254 WeakPolarHBondContact OD1-CB 3.48Å; D252-T254 PolarHBondContact OD1-N 2.88Å; D252-T254 PolarHBondContact OD1-OG1 3.42Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.19Å; T254-I257 PolarHBondContact O-N 3.38Å; T254-G258 PolarHBondContact O-N 2.99Å; T254-I385 HydrophobicContact CG2-CG2 4.16Å; T254-K386 HydrophobicContact CG2-CB 3.95Å; T254-K386 WeakPolarHBondContact CG2-O 3.46Å; T254-K386 PolarHBondContact OG1-N 2.97Å; T254-R389 HydrophobicContact CG2-CB 4.34Å; T254-R389 HydrophobicContact CG2-CG 4.49Å; T254-F390 HydrophobicContact CG2-CB 3.86Å
255	E	94.8	Very high	87.9	Confident	47 Å²	47	48.6 Å²	48.6	22%	0.22	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-37.6	-179	-173.1	72.2	-166.7	0	0	110.9	D252 L253 K259 R389	D252-E255 HydrophobicContact CB-CB 4.11Å; D252-E255 PolarHBondContact O-N 3.03Å; L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 3.32Å; E255-K259 HydrophobicContact CG-CD 4.24Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.43Å; E255-K259 WeakPolarHBondContact O-CD 3.38Å; E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 2.93Å; E255-K259 VanDerWaalsContact O-N 3.09Å; E255-K259 WeakPolarHBondContact OE1-CE 3.24Å; E255-K259 IonicContact OE1-NZ 2.71Å; E255-K259 PolarHBondContact OE1-NZ 3.32Å; E255-R389 IonicContact OE1-NH2 3.23Å; E255-R389 PolarHBondContact OE1-NH2 3.31Å; E255-R389 VanDerWaalsContact OE1-NH2 3.13Å; E255-R389 IonicContact OE2-CZ 3.63Å; E255-R389 VanDerWaalsContact OE2-CZ 3.23Å; E255-R389 IonicContact OE2-NE 2.71Å; E255-R389 PolarHBondContact OE2-NE 3.11Å; E255-R389 IonicContact OE2-NH2 3.78Å; E255-R389 PolarHBondContact OE2-NH2 3.46Å
256	I	95.7	Very high	88.2	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-70.6	-51.2	175.7	-63.2	177.1	0	0	0	110.9	L236 V251 D252 L253 T254 G258 K259 M260 V433 L436 L437	L236-I256 WeakPolarHBondContact O-CD1 3.3Å; V251-I256 HydrophobicContact CG1-CD1 3.56Å; D252-I256 PolarHBondContact O-N 3.01Å; L253-I256 PolarHBondContact O-N 3.22Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.19Å; I256-G258 PolarHBondContact O-N 3.39Å; I256-K259 PolarHBondContact O-N 3.21Å; I256-M260 HydrophobicContact CG2-CG 4.45Å; I256-M260 HydrophobicContact CG2-SD 3.71Å; I256-M260 WeakPolarHBondContact O-CB 3.49Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.43Å; I256-M260 PolarHBondContact O-N 2.83Å; I256-V433 HydrophobicContact CD1-CG1 4.02Å; I256-V433 HydrophobicContact CD1-CG2 4.06Å; I256-L436 HydrophobicContact CB-CD1 4.46Å; I256-L436 HydrophobicContact CG2-CB 4.11Å; I256-L436 HydrophobicContact CG2-CD1 3.98Å; I256-L437 HydrophobicContact CG2-CD2 4.45Å
257	I	95.7	Very high	88.2	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-45.3	-178.3	-63.5	163.2	0	0	0	110.6	L253 T254 M260 R261 F269 F390 L436	L253-I257 HydrophobicContact CB-CD1 4.42Å; L253-I257 WeakPolarHBondContact O-CD1 3.43Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.44Å; L253-I257 PolarHBondContact O-N 3.35Å; T254-I257 PolarHBondContact O-N 3.38Å; I257-M260 PolarHBondContact O-N 3.35Å; I257-R261 PolarHBondContact O-N 3Å; I257-F269 HydrophobicContact CD1-CD2 4.11Å; I257-F269 HydrophobicContact CD1-CE2 4.44Å; I257-F390 HydrophobicContact CG2-CD2 4.23Å; I257-F390 HydrophobicContact CG2-CE2 3.76Å; I257-L436 HydrophobicContact CD1-CD1 4.3Å; I257-L436 HydrophobicContact CG1-CD1 3.8Å; I257-L436 HydrophobicContact CG1-CD2 3.69Å; I257-L436 HydrophobicContact CG1-CG 4.43Å
258	G	95.1	Very high	88.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-44.9	175.8	0	0	0	0	0	112.5	T254 I256 M260 R261 G262 V394	T254-G258 PolarHBondContact O-N 2.99Å; I256-G258 PolarHBondContact O-N 3.39Å; G258-M260 PolarHBondContact O-N 3.05Å; G258-R261 PolarHBondContact O-N 3.01Å; G258-G262 PolarHBondContact O-N 3.12Å; G258-V394 WeakPolarHBondContact O-CG2 3.47Å
259	K	93.7	Very high	89.5	Confident	52 Å²	52	33.2 Å²	33.2	23%	0.226	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-37.5	174.5	-77.8	171.3	169	155.2	0	112.9	L236 E255 I256 Y263 L393	L236-K259 HydrophobicContact CD2-CB 3.63Å; L236-K259 HydrophobicContact CD2-CD 3.74Å; L236-K259 HydrophobicContact CD2-CG 4.31Å; E255-K259 HydrophobicContact CG-CD 4.24Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.43Å; E255-K259 WeakPolarHBondContact O-CD 3.38Å; E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 2.93Å; E255-K259 VanDerWaalsContact O-N 3.09Å; E255-K259 WeakPolarHBondContact OE1-CE 3.24Å; E255-K259 IonicContact OE1-NZ 2.71Å; E255-K259 PolarHBondContact OE1-NZ 3.32Å; I256-K259 PolarHBondContact O-N 3.21Å; K259-Y263 HydrophobicContact CB-CD2 4.1Å; K259-Y263 HydrophobicContact CG-CD2 4.03Å; K259-Y263 HydrophobicContact CG-CE2 3.99Å; K259-Y263 WeakPolarHBondContact O-CB 3.42Å; K259-Y263 PolarHBondContact O-N 2.76Å; K259-L393 HydrophobicContact CG-CD2 4.19Å
260	M	94.1	Very high	90.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-43.4	177.1	-76.8	172.6	52.2	0	0	112.3	L236 I256 I257 G258 Y264 S265 L266 V268 L436 L440	L236-M260 HydrophobicContact CD1-CG 4.37Å; I256-M260 HydrophobicContact CG2-CG 4.45Å; I256-M260 HydrophobicContact CG2-SD 3.71Å; I256-M260 WeakPolarHBondContact O-CB 3.49Å; I256-M260 VanDerWaalsContact O-CG 3.31Å; I256-M260 WeakPolarHBondContact O-CG 3.43Å; I256-M260 PolarHBondContact O-N 2.83Å; I257-M260 PolarHBondContact O-N 3.35Å; G258-M260 PolarHBondContact O-N 3.05Å; M260-Y264 CarbonylContact O-C 3.49Å; M260-Y264 WeakPolarHBondContact O-CA 3.39Å; M260-Y264 WeakPolarHBondContact O-CB 3.46Å; M260-Y264 PolarHBondContact O-N 2.79Å; M260-S265 PolarHBondContact O-N 2.96Å; M260-S265 VanDerWaalsContact O-N 3.16Å; M260-L266 CarbonylContact C-O 2.86Å; M260-L266 HydrophobicContact CE-CD2 3.89Å; M260-L266 HydrophobicContact CE-CG 4.2Å; M260-L266 PolarHBondContact O-N 3.44Å; M260-V268 HydrophobicContact CE-CG2 3.63Å; M260-L436 HydrophobicContact CE-CB 4.3Å; M260-L436 HydrophobicContact CE-CD2 3.97Å; M260-L436 VanDerWaalsContact CE-O 3.25Å; M260-L436 WeakPolarHBondContact CE-O 3.05Å; M260-L436 HydrophobicContact SD-CB 3.9Å; M260-L436 HydrophobicContact SD-CD2 4.06Å; M260-L440 HydrophobicContact CE-CB 4.19Å; M260-L440 HydrophobicContact CG-CD1 4.38Å; M260-L440 HydrophobicContact CG-CD2 4.29Å; M260-L440 HydrophobicContact SD-CB 4.42Å
261	R	92.5	Very high	91.7	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-52.9	173	176.4	64.5	-165.9	176.2	5.3	111.4	I257 G258 S265 D267 F390 V394 N584 E587	I257-R261 PolarHBondContact O-N 3Å; G258-R261 PolarHBondContact O-N 3.01Å; R261-S265 WeakPolarHBondContact O-CA 3.5Å; R261-S265 PolarHBondContact O-N 3.12Å; R261-D267 VanDerWaalsContact CD-OD1 3.25Å; R261-D267 WeakPolarHBondContact CD-OD1 3.28Å; R261-D267 IonicContact CZ-OD1 3.44Å; R261-D267 IonicContact NE-OD1 2.76Å; R261-D267 IonicContact NH1-OD1 2.67Å; R261-D267 PolarHBondContact NH1-OD1 2.76Å; R261-F390 HydrophobicContact CB-CE2 4.32Å; R261-F390 HydrophobicContact CB-CZ 4.33Å; R261-F390 HydrophobicContact CG-CZ 4.34Å; R261-V394 HydrophobicContact CB-CG2 3.88Å; R261-V394 HydrophobicContact CG-CB 4.41Å; R261-V394 HydrophobicContact CG-CG1 3.62Å; R261-V394 HydrophobicContact CG-CG2 3.8Å; R261-N584 VanDerWaalsContact CZ-OD1 3.24Å; R261-N584 PolarHBondContact NE-OD1 2.83Å; R261-N584 PolarHBondContact NH2-OD1 3.05Å; R261-E587 IonicContact CZ-OE2 3.47Å; R261-E587 IonicContact NH2-OE2 3.41Å; R261-E587 PolarHBondContact NH2-OE2 3Å
262	G	89.9	Confident	92.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-66.4	-45.1	-172.1	0	0	0	0	0	114.8	G258 N581	G258-G262 PolarHBondContact O-N 3.12Å; G262-N581 PolarHBondContact O-ND2 3.5Å
263	Y	88.3	Confident	92	Very high	103 Å²	103	17.4 Å²	17.4	40%	0.404	8%	0.081	S	C	.	.	H	α-helix	trans	-98.1	-19.2	-175.2	-63.4	-72.4	0	0	0	114.8	K259 R577	K259-Y263 HydrophobicContact CB-CD2 4.1Å; K259-Y263 HydrophobicContact CG-CD2 4.03Å; K259-Y263 HydrophobicContact CG-CE2 3.99Å; K259-Y263 WeakPolarHBondContact O-CB 3.42Å; K259-Y263 PolarHBondContact O-N 2.76Å; Y263-R577 VanDerWaalsContact O-CG 3.24Å; Y263-R577 WeakPolarHBondContact O-CG 3.47Å
264	Y	88.7	Confident	91.9	Very high	25 Å²	25	16.4 Å²	16.4	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-128.7	1.3	-173.4	-55.8	-82.9	0	0	0	114	V232 M260 L266 L440 W444 R577	V232-Y264 HydrophobicContact CG1-CE1 4.04Å; V232-Y264 HydrophobicContact CG1-CE2 4.13Å; V232-Y264 WeakPolarHBondContact CG1-OH 3.26Å; V232-Y264 HydrophobicContact CG2-CE1 4.11Å; V232-Y264 WeakPolarHBondContact CG2-OH 3.43Å; M260-Y264 CarbonylContact O-C 3.49Å; M260-Y264 WeakPolarHBondContact O-CA 3.39Å; M260-Y264 WeakPolarHBondContact O-CB 3.46Å; M260-Y264 PolarHBondContact O-N 2.79Å; Y264-L266 PolarHBondContact O-N 3.35Å; Y264-L440 HydrophobicContact CD1-CD1 4.37Å; Y264-L440 HydrophobicContact CD2-CD1 4.27Å; Y264-L440 HydrophobicContact CG-CD1 3.92Å; Y264-W444 HydrophobicContact CD1-CD2 4.11Å; Y264-W444 AromaticContact CD1-CE2 3.74Å; Y264-W444 HydrophobicContact CD1-CE3 4.3Å; Y264-W444 HydrophobicContact CD1-CH2 4.04Å; Y264-W444 AromaticContact CD1-CZ2 3.73Å; Y264-W444 HydrophobicContact CD1-CZ2 3.73Å; Y264-W444 HydrophobicContact CD1-CZ3 4.27Å; Y264-W444 HydrophobicContact CG-CZ2 4.3Å; Y264-R577 HydrophobicContact CD1-CG 4.17Å; Y264-R577 HydrophobicContact CE1-CG 4Å
265	S	85.6	Confident	91.5	Very high	24 Å²	24	16.6 Å²	16.6	17%	0.168	8%	0.076	C	C	.	.			trans	52.7	38.3	179.6	-52.2	0	0	0	0	113.7	M260 R261 S580	M260-S265 PolarHBondContact O-N 2.96Å; M260-S265 VanDerWaalsContact O-N 3.16Å; R261-S265 WeakPolarHBondContact O-CA 3.5Å; R261-S265 PolarHBondContact O-N 3.12Å; S265-S580 VanDerWaalsContact OG-C 3.25Å; S265-S580 WeakPolarHBondContact OG-CB 3.36Å; S265-S580 PolarHBondContact OG-O 2.94Å
266	L	88.6	Confident	91.3	Very high	18 Å²	18	14.6 Å²	14.6	9%	0.094	7%	0.068	C	C	.	.			trans	-119.2	97.8	-178.1	179.4	59.8	0	0	0	111.6	M260 Y264 V268 R439 L440 A443	M260-L266 CarbonylContact C-O 2.86Å; M260-L266 HydrophobicContact CE-CD2 3.89Å; M260-L266 HydrophobicContact CE-CG 4.2Å; M260-L266 PolarHBondContact O-N 3.44Å; Y264-L266 PolarHBondContact O-N 3.35Å; L266-V268 HydrophobicContact CD1-CG2 4.49Å; L266-V268 HydrophobicContact CG-CG2 4.15Å; L266-R439 HydrophobicContact CD2-CB 4.47Å; L266-R439 WeakPolarHBondContact CD2-O 3.29Å; L266-L440 VanDerWaalsContact CD2-CA 3.45Å; L266-L440 HydrophobicContact CD2-CB 4.18Å; L266-L440 HydrophobicContact CD2-CD1 4.03Å; L266-A443 HydrophobicContact CD2-CB 4.06Å
267	D	88.6	Confident	91.2	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	7%	0.067	C	C	.	.			trans	-76.3	136.6	169.5	7.6	-51.3	0	0	0	111.7	R261 V270 S271 S626	R261-D267 VanDerWaalsContact CD-OD1 3.25Å; R261-D267 WeakPolarHBondContact CD-OD1 3.28Å; R261-D267 IonicContact CZ-OD1 3.44Å; R261-D267 IonicContact NE-OD1 2.76Å; R261-D267 IonicContact NH1-OD1 2.67Å; R261-D267 PolarHBondContact NH1-OD1 2.76Å; D267-V270 WeakPolarHBondContact CB-O 3.3Å; D267-S271 WeakPolarHBondContact OD2-CB 3.29Å; D267-S271 PolarHBondContact OD2-OG 3.22Å; D267-S626 WeakPolarHBondContact OD2-CB 3.28Å; D267-S626 PolarHBondContact OD2-N 3.04Å; D267-S626 VanDerWaalsContact OD2-N 3.13Å; D267-S626 PolarHBondContact OD2-OG 3.23Å
268	V	92.8	Very high	91	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.012	7%	0.069	C	C	.	.			trans	-141.4	141.4	177.9	-176	0	0	0	0	107.9	M260 L266 V270 Y435 L436 R439	M260-V268 HydrophobicContact CE-CG2 3.63Å; L266-V268 HydrophobicContact CD1-CG2 4.49Å; L266-V268 HydrophobicContact CG-CG2 4.15Å; V268-V270 PolarHBondContact O-N 2.91Å; V268-Y435 HydrophobicContact CG1-CD1 4.06Å; V268-Y435 HydrophobicContact CG1-CE1 3.53Å; V268-L436 HydrophobicContact CB-CD2 3.83Å; V268-L436 HydrophobicContact CG1-CD2 3.82Å; V268-L436 HydrophobicContact CG2-CD2 4.29Å; V268-R439 HydrophobicContact CG1-CG 4.28Å; V268-R439 HydrophobicContact CG2-CB 3.95Å; V268-R439 HydrophobicContact CG2-CG 4.25Å
269	F	95.5	Very high	90.9	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	64.2	-37.8	-171.1	-47.8	-51.7	0	0	0	115.6	I257 G291 F349 Y353 Y416 I420 L424 L432 Y435 L436	I257-F269 HydrophobicContact CD1-CD2 4.11Å; I257-F269 HydrophobicContact CD1-CE2 4.44Å; F269-G291 PolarHBondContact O-N 2.82Å; F269-F349 AromaticContact CE1-CE1 3.74Å; F269-F349 HydrophobicContact CE1-CE1 3.74Å; F269-F349 AromaticContact CE1-CZ 3.61Å; F269-F349 HydrophobicContact CE1-CZ 3.61Å; F269-F349 HydrophobicContact CZ-CE1 4.1Å; F269-F349 AromaticContact CZ-CZ 3.95Å; F269-F349 HydrophobicContact CZ-CZ 3.95Å; F269-Y353 HydrophobicContact CD1-CE1 4.34Å; F269-Y353 HydrophobicContact CD1-CE2 4.22Å; F269-Y416 WeakPolarHBondContact O-CE1 3.31Å; F269-Y416 PolarHBondContact O-OH 3.13Å; F269-I420 HydrophobicContact CB-CD1 4.29Å; F269-I420 HydrophobicContact CB-CG1 3.95Å; F269-I420 HydrophobicContact CD1-CD1 3.9Å; F269-I420 HydrophobicContact CD1-CG1 4.5Å; F269-I420 HydrophobicContact CG-CD1 4.36Å; F269-L424 HydrophobicContact CB-CD1 4.21Å; F269-L424 HydrophobicContact CD1-CD2 4.06Å; F269-L424 HydrophobicContact CD2-CD1 4.03Å; F269-L424 HydrophobicContact CD2-CD2 3.73Å; F269-L424 HydrophobicContact CE1-CD2 3.92Å; F269-L424 HydrophobicContact CE2-CD2 3.56Å; F269-L424 HydrophobicContact CG-CD1 4.14Å; F269-L424 HydrophobicContact CG-CD2 3.97Å; F269-L424 HydrophobicContact CZ-CD2 3.65Å; F269-L432 HydrophobicContact CZ-CD2 4.16Å; F269-Y435 HydrophobicContact CD1-CE1 4.35Å; F269-Y435 AromaticContact CE1-CD1 3.59Å; F269-Y435 HydrophobicContact CE1-CD1 3.59Å; F269-Y435 AromaticContact CE1-CE1 3.53Å; F269-Y435 HydrophobicContact CE1-CE1 3.53Å; F269-Y435 AromaticContact CZ-CD1 3.49Å; F269-Y435 HydrophobicContact CZ-CD1 3.49Å; F269-Y435 VanDerWaalsContact CZ-CD1 3.49Å; F269-Y435 AromaticContact CZ-CE1 3.9Å; F269-Y435 HydrophobicContact CZ-CE1 3.9Å; F269-L436 HydrophobicContact CD2-CD2 4.34Å; F269-L436 HydrophobicContact CE2-CD1 4.31Å; F269-L436 HydrophobicContact CE2-CD2 3.81Å; F269-L436 HydrophobicContact CE2-CG 4.02Å
270	V	94	Very high	91	Very high	14 Å²	14	19.7 Å²	19.7	9%	0.085	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.6	174.8	179.1	0	0	0	0	108.4	D267 V268 I288 H289 M382 I385 W387 I417	D267-V270 WeakPolarHBondContact CB-O 3.3Å; V268-V270 PolarHBondContact O-N 2.91Å; V270-I288 HydrophobicContact CG1-CD1 4.26Å; V270-I288 HydrophobicContact CG1-CG2 3.76Å; V270-H289 WeakPolarHBondContact CA-O 3.25Å; V270-M382 HydrophobicContact CG2-CE 3.79Å; V270-M382 HydrophobicContact CG2-SD 3.76Å; V270-I385 HydrophobicContact CG2-CD1 4.43Å; V270-W387 HydrophobicContact CG1-CH2 4.3Å; V270-I417 HydrophobicContact CG2-CD1 4.2Å
271	S	91.1	Very high	90.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.5	167.2	-170.2	0	0	0	0	109.5	D267 H289 L625	D267-S271 WeakPolarHBondContact OD2-CB 3.29Å; D267-S271 PolarHBondContact OD2-OG 3.22Å; S271-H289 PolarHBondContact N-O 3.26Å; S271-H289 PolarHBondContact O-N 2.67Å; S271-L625 VanDerWaalsContact OG-CD2 3.27Å; S271-L625 WeakPolarHBondContact OG-CD2 3.38Å
272	M	90.5	Very high	90.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.9	-174.5	-178.3	-176.4	79.3	0	0	110.4	L286 T287 I288 F390 F391 V394 M395 M588 L625	M272-L286 HydrophobicContact CG-CD1 3.72Å; M272-L286 HydrophobicContact CG-CG 4.28Å; M272-L286 HydrophobicContact SD-CD1 3.92Å; M272-L286 HydrophobicContact SD-CD2 4.27Å; M272-L286 HydrophobicContact SD-CG 4.47Å; M272-T287 WeakPolarHBondContact CA-O 3.16Å; M272-I288 HydrophobicContact CB-CD1 4.09Å; M272-I288 HydrophobicContact CG-CD1 3.84Å; M272-I288 HydrophobicContact SD-CD1 4.25Å; M272-F390 HydrophobicContact CE-CE1 3.98Å; M272-F390 HydrophobicContact SD-CE1 3.75Å; M272-F391 HydrophobicContact CE-CE1 4.42Å; M272-F391 HydrophobicContact SD-CD1 4.36Å; M272-F391 HydrophobicContact SD-CE1 3.6Å; M272-F391 HydrophobicContact SD-CZ 4.45Å; M272-V394 HydrophobicContact CE-CB 4.42Å; M272-V394 HydrophobicContact CE-CG1 3.55Å; M272-M395 HydrophobicContact CE-CE 3.84Å; M272-M395 HydrophobicContact SD-CE 4.24Å; M272-M588 HydrophobicContact CE-SD 3.84Å; M272-L625 VanDerWaalsContact O-CD2 3.25Å; M272-L625 WeakPolarHBondContact O-CD2 2.99Å
273	Y	89	Confident	91	Very high	25 Å²	25	29.1 Å²	29.1	10%	0.098	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.9	-178.5	53.9	-75.8	0	0	0	113.1	T287 H289 E587 L623 L625 I629	Y273-T287 HydrophobicContact CD1-CG2 4.42Å; Y273-T287 HydrophobicContact CE1-CG2 3.61Å; Y273-T287 HydrophobicContact CE2-CG2 3.93Å; Y273-T287 PolarHBondContact N-O 3.1Å; Y273-T287 PolarHBondContact O-N 2.9Å; Y273-T287 VanDerWaalsContact OH-CG2 3.32Å; Y273-T287 WeakPolarHBondContact OH-CG2 3.3Å; Y273-H289 HydrophobicContact CE1-CB 3.99Å; Y273-E587 VanDerWaalsContact CA-OE1 3.31Å; Y273-E587 WeakPolarHBondContact CA-OE1 3.3Å; Y273-E587 WeakPolarHBondContact CB-OE1 3.43Å; Y273-L623 HydrophobicContact CD2-CD1 4.06Å; Y273-L623 HydrophobicContact CD2-CD2 4.13Å; Y273-L623 HydrophobicContact CE2-CD1 4.31Å; Y273-L623 HydrophobicContact CG-CD2 4.38Å; Y273-L625 HydrophobicContact CD1-CD1 3.61Å; Y273-L625 HydrophobicContact CD1-CD2 4.06Å; Y273-L625 HydrophobicContact CD1-CG 4.39Å; Y273-L625 HydrophobicContact CD2-CD1 4.44Å; Y273-L625 HydrophobicContact CE1-CD1 4.19Å; Y273-L625 HydrophobicContact CG-CD1 3.74Å; Y273-L625 HydrophobicContact CG-CD2 4.23Å; Y273-L625 HydrophobicContact CG-CG 4.37Å; Y273-I629 HydrophobicContact CD1-CD1 3.99Å; Y273-I629 HydrophobicContact CE1-CD1 3.26Å; Y273-I629 HydrophobicContact CE2-CD1 4.38Å; Y273-I629 VanDerWaalsContact CZ-CD1 3.47Å; Y273-I629 WeakPolarHBondContact OH-CD1 3.42Å
274	V	90.7	Very high	91.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	168.9	177.8	0	0	0	0	108.6	N284 L286 M588 E590 L591	V274-N284 HydrophobicContact CG1-CB 3.72Å; V274-L286 HydrophobicContact CG2-CD1 4.03Å; V274-M588 HydrophobicContact CG2-CE 3.9Å; V274-M588 HydrophobicContact CG2-SD 4.17Å; V274-E590 HydrophobicContact CG1-CB 4.23Å; V274-L591 HydrophobicContact CG1-CB 3.97Å; V274-L591 HydrophobicContact CG1-CD1 4.18Å; V274-L591 HydrophobicContact CG2-CB 4.09Å; V274-L591 HydrophobicContact CG2-CD1 4.47Å
275	Y	87.3	Confident	91.6	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.027	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-176.5	176.4	-168	-122.7	0	0	0	110.3	D277 N284 I285 F595 S612 E614 M621 L623 M633	Y275-D277 PolarHBondContact O-N 3.14Å; Y275-N284 CarbonylContact O-C 3.34Å; Y275-N284 VanDerWaalsContact O-CA 3.23Å; Y275-N284 WeakPolarHBondContact O-CA 3.45Å; Y275-I285 PolarHBondContact N-O 3.48Å; Y275-I285 PolarHBondContact O-N 2.68Å; Y275-F595 AromaticContact CD2-CE2 3.85Å; Y275-F595 HydrophobicContact CD2-CE2 3.85Å; Y275-F595 HydrophobicContact CD2-CZ 4.38Å; Y275-F595 AromaticContact CE2-CE2 3.61Å; Y275-F595 HydrophobicContact CE2-CE2 3.61Å; Y275-F595 AromaticContact CE2-CZ 3.74Å; Y275-F595 HydrophobicContact CE2-CZ 3.74Å; Y275-F595 AromaticContact CZ-CZ 3.96Å; Y275-S612 PolarHBondContact OH-OG 3.14Å; Y275-E614 HydrophobicContact CD1-CG 4.28Å; Y275-E614 HydrophobicContact CE1-CB 3.73Å; Y275-E614 HydrophobicContact CE1-CG 3.64Å; Y275-M621 HydrophobicContact CD2-CE 3.95Å; Y275-M621 HydrophobicContact CD2-SD 3.48Å; Y275-M621 WeakPolarHBondContact CD2-SD 3.38Å; Y275-M621 HydrophobicContact CE2-CB 4.48Å; Y275-M621 HydrophobicContact CE2-CE 4.44Å; Y275-M621 HydrophobicContact CE2-CG 4.48Å; Y275-M621 HydrophobicContact CE2-SD 3.37Å; Y275-M621 WeakPolarHBondContact CE2-SD 3.44Å; Y275-L623 HydrophobicContact CG-CD1 4.45Å; Y275-M633 HydrophobicContact CD1-CE 4.39Å; Y275-M633 HydrophobicContact CE1-CE 3.8Å; Y275-M633 HydrophobicContact CE1-SD 4.31Å
276	A	89.8	Confident	92	Very high	5 Å²	5	22.8 Å²	22.8	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	138.5	176.7	0	0	0	0	0	112.3	A278 F595 E614	A276-A278 PolarHBondContact O-N 3.02Å; A276-A278 VanDerWaalsContact O-N 3.12Å; A276-F595 HydrophobicContact CB-CD1 3.77Å; A276-F595 HydrophobicContact CB-CD2 3.91Å; A276-F595 HydrophobicContact CB-CE1 3.7Å; A276-F595 HydrophobicContact CB-CE2 3.87Å; A276-F595 HydrophobicContact CB-CG 3.85Å; A276-F595 HydrophobicContact CB-CZ 3.74Å; A276-E614 HydrophobicContact CB-CB 3.83Å; A276-E614 HydrophobicContact CB-CG 4.17Å
277	D	93.3	Very high	92.4	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	109.8	158.4	175.7	-13.2	0	0	0	108	Y275 K279 N280 T281 R283 I285 Y370	Y275-D277 PolarHBondContact O-N 3.14Å; D277-K279 PolarHBondContact O-N 2.64Å; D277-K279 PolarHBondContact OD1-N 2.57Å; D277-N280 CarbonylContact O-C 3.58Å; D277-N280 PolarHBondContact O-N 3.18Å; D277-N280 PolarHBondContact OD1-N 3.38Å; D277-T281 PolarHBondContact O-N 3.16Å; D277-R283 HydrophobicContact CB-CG 3.83Å; D277-R283 PolarHBondContact N-O 2.88Å; D277-R283 IonicContact OD2-CZ 2.79Å; D277-R283 IonicContact OD2-NE 3.7Å; D277-R283 PolarHBondContact OD2-NE 3.43Å; D277-R283 IonicContact OD2-NH2 3.22Å; D277-R283 PolarHBondContact OD2-NH2 2.67Å; D277-I285 HydrophobicContact CB-CB 4.12Å; D277-I285 HydrophobicContact CB-CG2 3.91Å; D277-Y370 WeakPolarHBondContact OD1-CE2 3.48Å; D277-Y370 PolarHBondContact OD1-OH 3.47Å
278	A	91.4	Very high	92.7	Very high	13 Å²	13	22.1 Å²	22.1	11%	0.107	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.9	-176.7	0	0	0	0	0	113.1	A276 Y370 E614 Y680 N685 L686	A276-A278 PolarHBondContact O-N 3.02Å; A276-A278 VanDerWaalsContact O-N 3.12Å; A278-Y370 HydrophobicContact CB-CD2 4.04Å; A278-Y370 HydrophobicContact CB-CE2 4.26Å; A278-E614 HydrophobicContact CB-CG 4.46Å; A278-Y680 HydrophobicContact CB-CE1 4.32Å; A278-N685 CarbonylContact O-C 3.43Å; A278-N685 WeakPolarHBondContact O-CA 3.05Å; A278-L686 HydrophobicContact CB-CB 4.08Å; A278-L686 HydrophobicContact CB-CD2 4.3Å; A278-L686 VanDerWaalsContact O-CB 3.27Å; A278-L686 WeakPolarHBondContact O-CB 3.32Å; A278-L686 PolarHBondContact O-N 3.3Å
279	K	94.3	Very high	92.7	Very high	101 Å²	101	22.4 Å²	22.4	44%	0.439	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	0.1	174.7	-65.6	-164.4	-178.8	177.3	0	114	D277 Y370 L686	D277-K279 PolarHBondContact O-N 2.64Å; D277-K279 PolarHBondContact OD1-N 2.57Å; K279-Y370 HydrophobicContact CB-CE1 4.3Å; K279-Y370 HydrophobicContact CB-CE2 4.18Å; K279-Y370 HydrophobicContact CD-CD1 3.59Å; K279-Y370 HydrophobicContact CD-CE1 3.51Å; K279-Y370 HydrophobicContact CD-CE2 4.46Å; K279-Y370 HydrophobicContact CD-CG 4.15Å; K279-Y370 HydrophobicContact CG-CD1 4.02Å; K279-Y370 HydrophobicContact CG-CD2 4.09Å; K279-Y370 HydrophobicContact CG-CE1 3.83Å; K279-Y370 HydrophobicContact CG-CE2 3.88Å; K279-Y370 HydrophobicContact CG-CG 4.17Å; K279-L686 HydrophobicContact CG-CB 4.21Å; K279-L686 HydrophobicContact CG-CD2 4.34Å
280	N	94.5	Very high	92.5	Very high	59 Å²	59	22.4 Å²	22.4	32%	0.316	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	84.5	172.7	179.3	12.1	0	0	0	111.1	D277 T282 R283 N685	D277-N280 CarbonylContact O-C 3.58Å; D277-N280 PolarHBondContact O-N 3.18Å; D277-N280 PolarHBondContact OD1-N 3.38Å; N280-T282 PolarHBondContact ND2-OG1 3.43Å; N280-T282 PolarHBondContact O-N 2.91Å; N280-T282 PolarHBondContact OD1-N 3.34Å; N280-T282 PolarHBondContact OD1-OG1 2.86Å; N280-R283 PolarHBondContact O-N 3.2Å; N280-N685 VanDerWaalsContact CA-OD1 3.31Å; N280-N685 WeakPolarHBondContact CA-OD1 3.49Å
281	T	90.5	Very high	92.4	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.043	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	11.8	-174	59.9	0	0	0	0	115.4	D277 F595 E614 N683 G684 N685	D277-T281 PolarHBondContact O-N 3.16Å; T281-F595 WeakPolarHBondContact O-CD1 3.28Å; T281-E614 HydrophobicContact CG2-CB 4.45Å; T281-E614 WeakPolarHBondContact CG2-O 3.38Å; T281-N683 PolarHBondContact OG1-O 3.13Å; T281-G684 VanDerWaalsContact CG2-C 3.44Å; T281-G684 WeakPolarHBondContact CG2-O 3.23Å; T281-N685 PolarHBondContact N-OD1 2.99Å; T281-N685 PolarHBondContact OG1-OD1 2.85Å
282	T	93	Very high	92.2	Very high	93 Å²	93	21.9 Å²	21.9	57%	0.571	11%	0.109	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	-17	169.2	64.4	0	0	0	0	112.9	N280 P594 F595	N280-T282 PolarHBondContact ND2-OG1 3.43Å; N280-T282 PolarHBondContact O-N 2.91Å; N280-T282 PolarHBondContact OD1-N 3.34Å; N280-T282 PolarHBondContact OD1-OG1 2.86Å; T282-P594 WeakPolarHBondContact O-CA 3.45Å; T282-P594 WeakPolarHBondContact O-CB 3.34Å; T282-F595 PolarHBondContact O-N 3.49Å
283	R	94.1	Very high	92.3	Very high	103 Å²	103	22.2 Å²	22.2	39%	0.389	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.4	-175.2	65.4	178.2	-179.3	178.9	4.9	113.4	D277 N280	D277-R283 HydrophobicContact CB-CG 3.83Å; D277-R283 PolarHBondContact N-O 2.88Å; D277-R283 IonicContact OD2-CZ 2.79Å; D277-R283 IonicContact OD2-NE 3.7Å; D277-R283 PolarHBondContact OD2-NE 3.43Å; D277-R283 IonicContact OD2-NH2 3.22Å; D277-R283 PolarHBondContact OD2-NH2 2.67Å; N280-R283 PolarHBondContact O-N 3.2Å
284	N	93.4	Very high	92.5	Very high	11 Å²	11	21 Å²	21	6%	0.059	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	155.8	162	-69.7	-76	0	0	0	110.5	V274 Y275 E590 K593 F595	V274-N284 HydrophobicContact CG1-CB 3.72Å; Y275-N284 CarbonylContact O-C 3.34Å; Y275-N284 VanDerWaalsContact O-CA 3.23Å; Y275-N284 WeakPolarHBondContact O-CA 3.45Å; N284-E590 PolarHBondContact ND2-O 3.03Å; N284-K593 PolarHBondContact ND2-O 3.26Å; N284-F595 WeakPolarHBondContact OD1-CD2 3.45Å
285	I	94.7	Very high	92.5	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.041	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152	171.2	-163.5	160.6	0	0	0	110.1	Y275 D277 I410	Y275-I285 PolarHBondContact N-O 3.48Å; Y275-I285 PolarHBondContact O-N 2.68Å; D277-I285 HydrophobicContact CB-CB 4.12Å; D277-I285 HydrophobicContact CB-CG2 3.91Å; I285-I410 HydrophobicContact CD1-CD1 3.95Å; I285-I410 HydrophobicContact CD1-CG1 4.02Å; I285-I410 HydrophobicContact CG1-CG1 4.43Å; I285-I410 HydrophobicContact CG2-CG1 3.92Å
286	L	95.4	Very high	92.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.4	171.2	-169.6	72.2	0	0	0	109.8	M272 V274 F391 M395 M407 L409 I410	M272-L286 HydrophobicContact CG-CD1 3.72Å; M272-L286 HydrophobicContact CG-CG 4.28Å; M272-L286 HydrophobicContact SD-CD1 3.92Å; M272-L286 HydrophobicContact SD-CD2 4.27Å; M272-L286 HydrophobicContact SD-CG 4.47Å; V274-L286 HydrophobicContact CG2-CD1 4.03Å; L286-F391 HydrophobicContact CD2-CE1 3.7Å; L286-F391 HydrophobicContact CD2-CZ 3.81Å; L286-M395 HydrophobicContact CD1-CE 3.81Å; L286-M395 HydrophobicContact CD2-CE 4.41Å; L286-M407 HydrophobicContact CB-CE 3.66Å; L286-M407 HydrophobicContact CD2-CE 4.06Å; L286-M407 HydrophobicContact CG-CE 4.48Å; L286-L409 HydrophobicContact CB-CB 4.22Å; L286-L409 HydrophobicContact CD2-CD2 4.49Å; L286-L409 WeakPolarHBondContact O-CA 3.1Å; L286-L409 WeakPolarHBondContact O-CB 3.45Å; L286-I410 PolarHBondContact O-N 3.1Å
287	T	95.5	Very high	91.7	Very high	8 Å²	8	23 Å²	23	5%	0.049	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.2	177.8	-55.2	0	0	0	0	111.4	M272 Y273 I410 T412	M272-T287 WeakPolarHBondContact CA-O 3.16Å; Y273-T287 HydrophobicContact CD1-CG2 4.42Å; Y273-T287 HydrophobicContact CE1-CG2 3.61Å; Y273-T287 HydrophobicContact CE2-CG2 3.93Å; Y273-T287 PolarHBondContact N-O 3.1Å; Y273-T287 PolarHBondContact O-N 2.9Å; Y273-T287 VanDerWaalsContact OH-CG2 3.32Å; Y273-T287 WeakPolarHBondContact OH-CG2 3.3Å; T287-I410 CarbonylContact C-O 3.6Å; T287-I410 WeakPolarHBondContact CA-O 3.4Å; T287-I410 HydrophobicContact CG2-CB 4.08Å; T287-I410 HydrophobicContact CG2-CG2 4.3Å; T287-T412 HydrophobicContact CG2-CG2 3.67Å
288	I	95.6	Very high	91.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.3	-178.2	-66.3	-63.9	0	0	0	108	V270 M272 L378 W387 L409 I410 V411 T412 I417	V270-I288 HydrophobicContact CG1-CD1 4.26Å; V270-I288 HydrophobicContact CG1-CG2 3.76Å; M272-I288 HydrophobicContact CB-CD1 4.09Å; M272-I288 HydrophobicContact CG-CD1 3.84Å; M272-I288 HydrophobicContact SD-CD1 4.25Å; I288-L378 HydrophobicContact CD1-CD2 4.3Å; I288-L378 HydrophobicContact CG1-CD2 3.97Å; I288-L378 HydrophobicContact CG2-CD1 4.42Å; I288-W387 HydrophobicContact CD1-CH2 4.23Å; I288-W387 HydrophobicContact CD1-CZ3 4.01Å; I288-L409 HydrophobicContact CG1-CD1 4.14Å; I288-I410 PolarHBondContact N-O 2.91Å; I288-V411 HydrophobicContact CB-CG2 4.19Å; I288-V411 HydrophobicContact CG2-CG2 4.23Å; I288-T412 PolarHBondContact O-N 3.15Å; I288-T412 PolarHBondContact O-OG1 3.3Å; I288-I417 HydrophobicContact CG2-CD1 4Å
289	H	92.8	Very high	91.2	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.4	-170.9	-173.9	-78	0	0	0	111.4	V270 S271 Y273 R363 T412 L628	V270-H289 WeakPolarHBondContact CA-O 3.25Å; S271-H289 PolarHBondContact N-O 3.26Å; S271-H289 PolarHBondContact O-N 2.67Å; Y273-H289 HydrophobicContact CE1-CB 3.99Å; H289-R363 PolarHBondContact CD2-NH2 3.07Å; H289-R363 PolarHBondContact NE2-NH2 3.1Å; H289-T412 VanDerWaalsContact CA-OG1 3.28Å; H289-T412 WeakPolarHBondContact CA-OG1 3.46Å; H289-T412 WeakPolarHBondContact CB-OG1 3.45Å; H289-T412 PolarHBondContact CD2-OG1 3.05Å; H289-L628 VanDerWaalsContact CE1-CD2 3.46Å; H289-L628 WeakPolarHBondContact CE1-CD2 3.44Å; H289-L628 VanDerWaalsContact ND1-CD2 3.3Å; H289-L628 WeakPolarHBondContact ND1-CD2 3.48Å
290	Q	92.7	Very high	91.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	149.9	172	67.7	-179.4	24.4	0	0	111	S358 Y416 L628	Q290-S358 PolarHBondContact NE2-O 3.35Å; Q290-Y416 VanDerWaalsContact CA-CE1 3.41Å; Q290-Y416 HydrophobicContact CB-CD1 3.73Å; Q290-Y416 HydrophobicContact CB-CD2 3.79Å; Q290-Y416 HydrophobicContact CB-CE1 3.64Å; Q290-Y416 HydrophobicContact CB-CE2 3.65Å; Q290-Y416 HydrophobicContact CB-CG 3.8Å; Q290-L628 HydrophobicContact CG-CD2 4.2Å; Q290-L628 WeakPolarHBondContact O-CD2 3.35Å
291	G	90.1	Very high	91	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-81.9	163	-179.4	0	0	0	0	0	112.2	F269 Y353 Y416	F269-G291 PolarHBondContact O-N 2.82Å; G291-Y353 WeakPolarHBondContact CA-OH 3.39Å; G291-Y416 PolarHBondContact N-OH 3.04Å
292	S	88.1	Confident	91.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-77.2	159.9	170	48.6	0	0	0	0	111.6	Y353 R439 S626	S292-Y353 PolarHBondContact O-OH 3.18Å; S292-Y353 VanDerWaalsContact O-OH 3.05Å; S292-R439 PolarHBondContact O-NH1 3.15Å; S292-R439 PolarHBondContact O-NH2 3.4Å; S292-R439 PolarHBondContact OG-NH2 3.25Å; S292-S626 PolarHBondContact OG-OG 2.9Å
293	L	92.9	Very high	91.3	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.047	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-92.8	168	170.7	-65.6	167.2	0	0	0	110.8	G296 R300 Y303 E350 Y353 A354 R439	L293-G296 PolarHBondContact N-O 3.28Å; L293-G296 WeakPolarHBondContact O-CA 3.31Å; L293-G296 PolarHBondContact O-N 3.03Å; L293-R300 HydrophobicContact CD1-CB 4.4Å; L293-Y303 HydrophobicContact CB-CE2 3.96Å; L293-Y303 HydrophobicContact CD1-CD2 3.91Å; L293-Y303 HydrophobicContact CD1-CE2 3.77Å; L293-Y303 HydrophobicContact CG-CE2 4.33Å; L293-E350 HydrophobicContact CD2-CG 4.27Å; L293-Y353 HydrophobicContact CD2-CD1 3.51Å; L293-Y353 HydrophobicContact CD2-CE1 3.64Å; L293-Y353 HydrophobicContact CD2-CG 4.13Å; L293-A354 HydrophobicContact CD1-CB 3.78Å; L293-A354 HydrophobicContact CD2-CB 3.88Å; L293-R439 PolarHBondContact O-NH2 3.05Å
294	G	91.9	Very high	91.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	-74	-31.4	-175.9	0	0	0	0	0	113.8	Y303 Y316 E350 K442	G294-Y303 PolarHBondContact N-OH 2.8Å; G294-Y316 WeakPolarHBondContact CA-OH 3.23Å; G294-E350 WeakPolarHBondContact CA-OE1 2.94Å; G294-E350 PolarHBondContact N-OE1 3.11Å; G294-K442 WeakPolarHBondContact O-CD 3.39Å; G294-K442 WeakPolarHBondContact O-CE 3.42Å; G294-K442 PolarHBondContact O-NZ 3.2Å
295	L	91.4	Very high	91.2	Very high	19 Å²	19	17.3 Å²	17.3	10%	0.099	9%	0.091	C	C	.	.	S	Bend	trans	-61	-55.1	163.2	-80.3	177.6	0	0	0	109.4	T299 Y302 Y303 M313 Y316 K442 F459 M463	L295-T299 HydrophobicContact CB-CG2 3.93Å; L295-T299 WeakPolarHBondContact CB-OG1 3.15Å; L295-Y302 HydrophobicContact CD1-CD2 4.33Å; L295-Y302 HydrophobicContact CD1-CG 4.02Å; L295-Y303 HydrophobicContact CB-CE2 4.02Å; L295-Y303 HydrophobicContact CD1-CD2 4.33Å; L295-Y303 HydrophobicContact CD1-CE2 3.69Å; L295-Y303 HydrophobicContact CG-CE2 4.01Å; L295-Y303 WeakPolarHBondContact CG-OH 3.35Å; L295-Y303 PolarHBondContact N-OH 2.67Å; L295-M313 HydrophobicContact CD1-SD 3.96Å; L295-Y316 HydrophobicContact CD2-CD1 4.06Å; L295-Y316 HydrophobicContact CD2-CD2 3.65Å; L295-Y316 HydrophobicContact CD2-CE2 4.18Å; L295-Y316 HydrophobicContact CD2-CG 3.59Å; L295-Y316 HydrophobicContact CG-CD1 4.08Å; L295-Y316 HydrophobicContact CG-CD2 4.33Å; L295-Y316 HydrophobicContact CG-CE1 4.24Å; L295-Y316 HydrophobicContact CG-CE2 4.49Å; L295-Y316 HydrophobicContact CG-CG 4.14Å; L295-K442 PolarHBondContact O-NZ 2.93Å; L295-F459 HydrophobicContact CD2-CE2 3.98Å; L295-F459 HydrophobicContact CD2-CZ 3.65Å; L295-M463 HydrophobicContact CD2-CE 4.28Å; L295-M463 HydrophobicContact CD2-SD 4.45Å
296	G	85.3	Confident	90.5	Very high	10 Å²	10	20.4 Å²	20.4	10%	0.103	11%	0.108	C	C	.	.			trans	168.5	-145.9	170	0	0	0	0	0	114.5	L293 T299	L293-G296 PolarHBondContact N-O 3.28Å; L293-G296 WeakPolarHBondContact O-CA 3.31Å; L293-G296 PolarHBondContact O-N 3.03Å; G296-T299 PolarHBondContact N-OG1 3.42Å; G296-T299 VanDerWaalsContact N-OG1 3.11Å; G296-T299 PolarHBondContact O-OG1 3.2Å
297	P	74.4	Confident	90.1	Very high	25 Å²	25	26.4 Å²	26.4	16%	0.162	15%	0.145	C	C	.	.	S	Bend	trans	-81.5	150.7	171.4	39.3	-36	0	0	0	110.1	T299 T627 L628 V631	P297-T299 WeakPolarHBondContact O-CG2 3.25Å; P297-T299 PolarHBondContact O-N 3.17Å; P297-T627 VanDerWaalsContact CB-O 3.22Å; P297-T627 WeakPolarHBondContact CB-O 3.39Å; P297-T627 HydrophobicContact CG-CG2 3.95Å; P297-T627 WeakPolarHBondContact CG-O 3.5Å; P297-L628 HydrophobicContact CB-CD1 4.12Å; P297-V631 HydrophobicContact CB-CG2 4.26Å; P297-V631 HydrophobicContact CG-CG2 4.18Å
298	S	83.9	Confident	89.7	Confident	12 Å²	12	30.4 Å²	30.4	8%	0.084	17%	0.166	C	C	.	.	S	Bend	trans	57.3	-3.2	176.4	-54	0	0	0	0	116.6	R300 D360	S298-R300 PolarHBondContact O-N 3.26Å; S298-D360 VanDerWaalsContact CA-OD2 3.32Å; S298-D360 WeakPolarHBondContact CA-OD2 3.3Å; S298-D360 WeakPolarHBondContact CB-OD2 3.48Å; S298-D360 PolarHBondContact OG-OD2 3.29Å
299	T	90.8	Very high	89.5	Confident	7 Å²	7	31.2 Å²	31.2	4%	0.043	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	20.7	-178.9	54.4	0	0	0	0	113.9	L295 G296 P297 E301 Y302 Y303 T813	L295-T299 HydrophobicContact CB-CG2 3.93Å; L295-T299 WeakPolarHBondContact CB-OG1 3.15Å; G296-T299 PolarHBondContact N-OG1 3.42Å; G296-T299 VanDerWaalsContact N-OG1 3.11Å; G296-T299 PolarHBondContact O-OG1 3.2Å; P297-T299 WeakPolarHBondContact O-CG2 3.25Å; P297-T299 PolarHBondContact O-N 3.17Å; T299-E301 PolarHBondContact O-N 3.35Å; T299-Y302 HydrophobicContact CG2-CD2 4.17Å; T299-Y302 HydrophobicContact CG2-CE2 4.38Å; T299-Y302 PolarHBondContact O-N 3.15Å; T299-Y303 VanDerWaalsContact O-CD2 3.3Å; T299-Y303 WeakPolarHBondContact O-CD2 3.27Å; T299-T813 HydrophobicContact CG2-CG2 4.14Å
300	R	93.1	Very high	89.5	Confident	48 Å²	48	33.8 Å²	33.8	18%	0.181	19%	0.187	C	C	.	.	H	α-helix	trans	-54.2	-51.1	-174.2	-178.1	-176.9	-178.8	-92.2	-0.2	111.9	L293 S298 Y302 Y303 L304 A354 A355 T357	L293-R300 HydrophobicContact CD1-CB 4.4Å; S298-R300 PolarHBondContact O-N 3.26Å; R300-Y302 VanDerWaalsContact C-N 3.25Å; R300-Y302 PolarHBondContact O-N 3.41Å; R300-Y303 WeakPolarHBondContact O-CB 3.11Å; R300-Y303 PolarHBondContact O-N 3.43Å; R300-L304 HydrophobicContact CG-CD1 3.93Å; R300-A354 WeakPolarHBondContact CG-O 3.37Å; R300-A354 PolarHBondContact NE-O 3.2Å; R300-A355 PolarHBondContact NH2-O 2.82Å; R300-T357 WeakPolarHBondContact CD-O 3.4Å; R300-T357 PolarHBondContact NE-O 2.89Å
301	E	92.4	Very high	89.5	Confident	65 Å²	65	36.6 Å²	36.6	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-65.6	-26	-170.6	-55.8	-47.2	118.4	0	0	113.7	T299 Y303 L304 N305 Y309 L812	T299-E301 PolarHBondContact O-N 3.35Å; E301-Y303 PolarHBondContact O-N 2.81Å; E301-L304 PolarHBondContact O-N 3.22Å; E301-L304 VanDerWaalsContact O-N 3.15Å; E301-N305 PolarHBondContact O-N 2.65Å; E301-Y309 HydrophobicContact CB-CE2 4.27Å; E301-Y309 WeakPolarHBondContact O-CD2 3.12Å; E301-Y309 VanDerWaalsContact O-CE2 3.29Å; E301-Y309 WeakPolarHBondContact O-CE2 3.16Å; E301-L812 HydrophobicContact CB-CD2 4.42Å
302	Y	93.7	Very high	89.7	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-33.3	172.7	-77.1	-73.6	0	0	0	112.9	L295 T299 R300 Y309 Q312 M313 M463 L808 Q809 L812 T813	L295-Y302 HydrophobicContact CD1-CD2 4.33Å; L295-Y302 HydrophobicContact CD1-CG 4.02Å; T299-Y302 HydrophobicContact CG2-CD2 4.17Å; T299-Y302 HydrophobicContact CG2-CE2 4.38Å; T299-Y302 PolarHBondContact O-N 3.15Å; R300-Y302 VanDerWaalsContact C-N 3.25Å; R300-Y302 PolarHBondContact O-N 3.41Å; Y302-Y309 HydrophobicContact CD1-CD1 4.43Å; Y302-Y309 HydrophobicContact CD1-CD2 4.44Å; Y302-Y309 HydrophobicContact CD1-CG 4.02Å; Y302-Q312 HydrophobicContact CD1-CB 3.96Å; Y302-Q312 HydrophobicContact CD1-CG 4.26Å; Y302-Q312 HydrophobicContact CE1-CB 4.04Å; Y302-Q312 HydrophobicContact CE1-CG 3.82Å; Y302-M313 VanDerWaalsContact O-CG 3.24Å; Y302-M313 WeakPolarHBondContact O-CG 3.45Å; Y302-M313 VanDerWaalsContact O-SD 3.41Å; Y302-M463 HydrophobicContact CD1-CE 4.46Å; Y302-M463 HydrophobicContact CE1-CE 4.05Å; Y302-M463 HydrophobicContact CE2-CE 4.35Å; Y302-L808 HydrophobicContact CE1-CD2 4.47Å; Y302-Q809 VanDerWaalsContact OH-CA 3.29Å; Y302-Q809 WeakPolarHBondContact OH-CA 3.49Å; Y302-L812 HydrophobicContact CD2-CD1 4.47Å; Y302-L812 HydrophobicContact CE1-CD1 4.19Å; Y302-L812 HydrophobicContact CE2-CD1 4.07Å; Y302-T813 HydrophobicContact CE2-CG2 4.24Å
303	Y	96	Very high	90.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-83.7	-21.6	-178.6	-66.3	-90	0	0	0	113.8	L293 G294 L295 T299 R300 E301 M313 Y316 E350 K351 A354	L293-Y303 HydrophobicContact CB-CE2 3.96Å; L293-Y303 HydrophobicContact CD1-CD2 3.91Å; L293-Y303 HydrophobicContact CD1-CE2 3.77Å; L293-Y303 HydrophobicContact CG-CE2 4.33Å; G294-Y303 PolarHBondContact N-OH 2.8Å; L295-Y303 HydrophobicContact CB-CE2 4.02Å; L295-Y303 HydrophobicContact CD1-CD2 4.33Å; L295-Y303 HydrophobicContact CD1-CE2 3.69Å; L295-Y303 HydrophobicContact CG-CE2 4.01Å; L295-Y303 WeakPolarHBondContact CG-OH 3.35Å; L295-Y303 PolarHBondContact N-OH 2.67Å; T299-Y303 VanDerWaalsContact O-CD2 3.3Å; T299-Y303 WeakPolarHBondContact O-CD2 3.27Å; R300-Y303 WeakPolarHBondContact O-CB 3.11Å; R300-Y303 PolarHBondContact O-N 3.43Å; E301-Y303 PolarHBondContact O-N 2.81Å; Y303-M313 HydrophobicContact CD1-CE 3.48Å; Y303-M313 VanDerWaalsContact CD1-CE 3.48Å; Y303-M313 HydrophobicContact CD1-SD 4.28Å; Y303-M313 HydrophobicContact CE1-CE 3.76Å; Y303-M313 HydrophobicContact CE1-SD 4.49Å; Y303-M313 HydrophobicContact CG-CE 4.22Å; Y303-Y316 HydrophobicContact CE1-CE1 4.16Å; Y303-E350 HydrophobicContact CD1-CG 4.16Å; Y303-E350 HydrophobicContact CE1-CB 4.13Å; Y303-E350 HydrophobicContact CE1-CG 3.44Å; Y303-E350 VanDerWaalsContact CE1-CG 3.44Å; Y303-E350 VanDerWaalsContact CE1-OE2 3.27Å; Y303-E350 WeakPolarHBondContact CE1-OE2 3.45Å; Y303-E350 PolarHBondContact OH-OE2 3.41Å; Y303-K351 HydrophobicContact CD1-CG 4.06Å; Y303-A354 HydrophobicContact CD1-CB 4.46Å; Y303-A354 HydrophobicContact CD2-CB 3.88Å; Y303-A354 HydrophobicContact CG-CB 3.73Å
304	L	94.4	Very high	90.2	Very high	70 Å²	70	41.2 Å²	41.2	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-99	-22.4	-168.5	-56.4	-177.1	0	0	0	113.4	R300 E301 A354 A355	R300-L304 HydrophobicContact CG-CD1 3.93Å; E301-L304 PolarHBondContact O-N 3.22Å; E301-L304 VanDerWaalsContact O-N 3.15Å; L304-A354 HydrophobicContact CD2-CB 4.49Å; L304-A355 HydrophobicContact CD2-CB 3.97Å
305	N	90.8	Very high	90.4	Very high	63 Å²	63	41.5 Å²	41.5	34%	0.337	24%	0.237	S	C	.	.			trans	-117.8	74.1	175.2	-167.1	-20.1	0	0	0	111.1	E301 T307 L308 Y309	E301-N305 PolarHBondContact O-N 2.65Å; N305-T307 PolarHBondContact O-N 2.9Å; N305-T307 VanDerWaalsContact O-N 3.16Å; N305-T307 PolarHBondContact OD1-N 3.24Å; N305-L308 HydrophobicContact CB-CB 4.37Å; N305-L308 PolarHBondContact O-N 2.93Å; N305-L308 WeakPolarHBondContact OD1-CB 3.21Å; N305-L308 PolarHBondContact OD1-N 3.44Å; N305-Y309 HydrophobicContact CB-CD2 3.84Å; N305-Y309 HydrophobicContact CB-CE2 3.8Å; N305-Y309 WeakPolarHBondContact O-CD2 3.34Å; N305-Y309 PolarHBondContact O-N 3.1Å
306	D	79.1	Confident	90.7	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-52.5	-32.6	174.7	-88.6	-51.5	0	0	0	113	S310 K351	D306-S310 WeakPolarHBondContact O-CA 3.23Å; D306-S310 WeakPolarHBondContact O-CB 3.48Å; D306-S310 PolarHBondContact O-N 2.96Å; D306-K351 WeakPolarHBondContact OD1-CE 3.46Å; D306-K351 IonicContact OD1-NZ 2.81Å; D306-K351 PolarHBondContact OD1-NZ 3.27Å; D306-K351 IonicContact OD2-NZ 3.09Å; D306-K351 PolarHBondContact OD2-NZ 2.91Å
307	T	86.2	Confident	91.2	Very high	126 Å²	126	43 Å²	43	77%	0.773	24%	0.239	S	C	*	.	H	α-helix	trans	-66	-53.4	180	-52.3	0	0	0	0	110.9	N305 S310	N305-T307 PolarHBondContact O-N 2.9Å; N305-T307 VanDerWaalsContact O-N 3.16Å; N305-T307 PolarHBondContact OD1-N 3.24Å; T307-S310 PolarHBondContact O-OG 2.85Å
308	L	88	Confident	92.3	Very high	93 Å²	93	49.9 Å²	49.9	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-75.2	-30.2	-175.7	-169	59	0	0	0	112.7	N305	N305-L308 HydrophobicContact CB-CB 4.37Å; N305-L308 PolarHBondContact O-N 2.93Å; N305-L308 WeakPolarHBondContact OD1-CB 3.21Å; N305-L308 PolarHBondContact OD1-N 3.44Å
309	Y	92	Very high	93	Very high	17 Å²	17	49.6 Å²	49.6	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-114.7	14.9	-173.9	-49	-44.5	0	0	0	114.4	E301 Y302 N305 S311 Q312 M313 L808 L812	E301-Y309 HydrophobicContact CB-CE2 4.27Å; E301-Y309 WeakPolarHBondContact O-CD2 3.12Å; E301-Y309 VanDerWaalsContact O-CE2 3.29Å; E301-Y309 WeakPolarHBondContact O-CE2 3.16Å; Y302-Y309 HydrophobicContact CD1-CD1 4.43Å; Y302-Y309 HydrophobicContact CD1-CD2 4.44Å; Y302-Y309 HydrophobicContact CD1-CG 4.02Å; N305-Y309 HydrophobicContact CB-CD2 3.84Å; N305-Y309 HydrophobicContact CB-CE2 3.8Å; N305-Y309 WeakPolarHBondContact O-CD2 3.34Å; N305-Y309 PolarHBondContact O-N 3.1Å; Y309-S311 PolarHBondContact O-N 3.29Å; Y309-S311 VanDerWaalsContact O-N 3.1Å; Y309-Q312 PolarHBondContact O-N 3.01Å; Y309-Q312 PolarHBondContact O-OE1 2.95Å; Y309-M313 PolarHBondContact O-N 2.85Å; Y309-L808 HydrophobicContact CD1-CD1 4.44Å; Y309-L808 HydrophobicContact CD1-CD2 4.31Å; Y309-L808 HydrophobicContact CE1-CD1 3.78Å; Y309-L808 HydrophobicContact CE1-CD2 4.44Å; Y309-L812 HydrophobicContact CE1-CD1 3.87Å; Y309-L812 HydrophobicContact CE2-CD1 4.16Å; Y309-L812 WeakPolarHBondContact OH-CD2 3.39Å
310	S	92.6	Very high	93.3	Very high	61 Å²	61	49.3 Å²	49.3	43%	0.427	26%	0.257	S	S	.	.	H	α-helix	trans	-44.7	-41.6	176.7	44.9	0	0	0	0	113.6	D306 T307 T314	D306-S310 WeakPolarHBondContact O-CA 3.23Å; D306-S310 WeakPolarHBondContact O-CB 3.48Å; D306-S310 PolarHBondContact O-N 2.96Å; T307-S310 PolarHBondContact O-OG 2.85Å; S310-T314 WeakPolarHBondContact O-CB 3.48Å; S310-T314 PolarHBondContact O-N 2.88Å; S310-T314 PolarHBondContact O-OG1 3.45Å
311	S	93.1	Very high	93.5	Very high	62 Å²	62	48.7 Å²	48.7	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-40.8	-177.7	80.5	0	0	0	0	112.8	Y309 A315	Y309-S311 PolarHBondContact O-N 3.29Å; Y309-S311 VanDerWaalsContact O-N 3.1Å; S311-A315 WeakPolarHBondContact O-CB 3.29Å; S311-A315 PolarHBondContact O-N 3.28Å
312	Q	94.3	Very high	93.8	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-71.8	-43.6	178.3	-69.9	80.7	3.7	0	0	110.9	Y302 Y309 T314 A315 Y316 M463	Y302-Q312 HydrophobicContact CD1-CB 3.96Å; Y302-Q312 HydrophobicContact CD1-CG 4.26Å; Y302-Q312 HydrophobicContact CE1-CB 4.04Å; Y302-Q312 HydrophobicContact CE1-CG 3.82Å; Y309-Q312 PolarHBondContact O-N 3.01Å; Y309-Q312 PolarHBondContact O-OE1 2.95Å; Q312-T314 VanDerWaalsContact C-N 3.33Å; Q312-T314 PolarHBondContact O-N 2.99Å; Q312-A315 PolarHBondContact O-N 3.28Å; Q312-Y316 WeakPolarHBondContact O-CB 3.16Å; Q312-Y316 PolarHBondContact O-N 2.79Å; Q312-M463 HydrophobicContact CB-CE 4.15Å; Q312-M463 HydrophobicContact CB-SD 3.64Å; Q312-M463 HydrophobicContact CG-CE 4.1Å; Q312-M463 HydrophobicContact CG-SD 3.73Å
313	M	95.5	Very high	93.9	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-35.7	175.3	-67.2	-53.8	-68.3	0	0	112.3	L295 Y302 Y303 Y309 Y316 K317	L295-M313 HydrophobicContact CD1-SD 3.96Å; Y302-M313 VanDerWaalsContact O-CG 3.24Å; Y302-M313 WeakPolarHBondContact O-CG 3.45Å; Y302-M313 VanDerWaalsContact O-SD 3.41Å; Y303-M313 HydrophobicContact CD1-CE 3.48Å; Y303-M313 VanDerWaalsContact CD1-CE 3.48Å; Y303-M313 HydrophobicContact CD1-SD 4.28Å; Y303-M313 HydrophobicContact CE1-CE 3.76Å; Y303-M313 HydrophobicContact CE1-SD 4.49Å; Y303-M313 HydrophobicContact CG-CE 4.22Å; Y309-M313 PolarHBondContact O-N 2.85Å; M313-Y316 HydrophobicContact CE-CD1 4.35Å; M313-Y316 PolarHBondContact O-N 3Å; M313-K317 PolarHBondContact O-N 3.24Å
314	T	96.2	Very high	94	Very high	79 Å²	79	50.2 Å²	50.2	49%	0.485	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-41.1	172.5	-60.5	0	0	0	0	111.9	S310 Q312 K317 R318	S310-T314 WeakPolarHBondContact O-CB 3.48Å; S310-T314 PolarHBondContact O-N 2.88Å; S310-T314 PolarHBondContact O-OG1 3.45Å; Q312-T314 VanDerWaalsContact C-N 3.33Å; Q312-T314 PolarHBondContact O-N 2.99Å; T314-K317 PolarHBondContact O-N 3.07Å; T314-R318 WeakPolarHBondContact O-CB 3.33Å; T314-R318 PolarHBondContact O-N 3.29Å
315	A	95.8	Very high	94.1	Very high	8 Å²	8	50 Å²	50	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-38.9	175.3	0	0	0	0	0	112.1	S311 Q312 R318 Y319 F459 V462	S311-A315 WeakPolarHBondContact O-CB 3.29Å; S311-A315 PolarHBondContact O-N 3.28Å; Q312-A315 PolarHBondContact O-N 3.28Å; A315-R318 PolarHBondContact O-N 2.87Å; A315-Y319 WeakPolarHBondContact O-CB 3.41Å; A315-Y319 PolarHBondContact O-N 3.47Å; A315-F459 HydrophobicContact CB-CD2 4.36Å; A315-V462 HydrophobicContact CB-CB 3.6Å; A315-V462 HydrophobicContact CB-CG1 3.73Å; A315-V462 HydrophobicContact CB-CG2 3.83Å
316	Y	96.7	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-43.1	174.9	-177.7	-128.9	0	0	0	112.2	G294 L295 Y303 Q312 M313 Y319 F320 L347 E350 W438 K442 F459	G294-Y316 WeakPolarHBondContact CA-OH 3.23Å; L295-Y316 HydrophobicContact CD2-CD1 4.06Å; L295-Y316 HydrophobicContact CD2-CD2 3.65Å; L295-Y316 HydrophobicContact CD2-CE2 4.18Å; L295-Y316 HydrophobicContact CD2-CG 3.59Å; L295-Y316 HydrophobicContact CG-CD1 4.08Å; L295-Y316 HydrophobicContact CG-CD2 4.33Å; L295-Y316 HydrophobicContact CG-CE1 4.24Å; L295-Y316 HydrophobicContact CG-CE2 4.49Å; L295-Y316 HydrophobicContact CG-CG 4.14Å; Y303-Y316 HydrophobicContact CE1-CE1 4.16Å; Q312-Y316 WeakPolarHBondContact O-CB 3.16Å; Q312-Y316 PolarHBondContact O-N 2.79Å; M313-Y316 HydrophobicContact CE-CD1 4.35Å; M313-Y316 PolarHBondContact O-N 3Å; Y316-Y319 PolarHBondContact O-N 3.45Å; Y316-F320 PolarHBondContact O-N 3.37Å; Y316-L347 HydrophobicContact CD1-CD2 3.59Å; Y316-L347 HydrophobicContact CE1-CD2 3.32Å; Y316-E350 WeakPolarHBondContact CE1-OE2 3.24Å; Y316-E350 PolarHBondContact OH-OE2 2.8Å; Y316-W438 AromaticContact CE2-CZ2 3.81Å; Y316-W438 HydrophobicContact CE2-CZ2 3.81Å; Y316-W438 AromaticContact CZ-NE1 3.84Å; Y316-W438 PolarHBondContact OH-NE1 3.25Å; Y316-W438 VanDerWaalsContact OH-NE1 3.1Å; Y316-K442 HydrophobicContact CE2-CD 4.24Å; Y316-F459 HydrophobicContact CD2-CE2 4.04Å; Y316-F459 HydrophobicContact CD2-CZ 4.24Å; Y316-F459 HydrophobicContact CG-CE2 4.4Å
317	K	97.3	Very high	95.1	Very high	60 Å²	60	43.8 Å²	43.8	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-56	-53.2	170	-174.5	-175.1	-174.8	-161.4	0	110.6	M313 T314 Y319 F320 Q321 E340 V343 L347	M313-K317 PolarHBondContact O-N 3.24Å; T314-K317 PolarHBondContact O-N 3.07Å; K317-Y319 VanDerWaalsContact C-N 3.29Å; K317-Y319 PolarHBondContact O-N 3.06Å; K317-F320 PolarHBondContact O-N 3.24Å; K317-F320 VanDerWaalsContact O-N 3.13Å; K317-Q321 HydrophobicContact CG-CG 4.19Å; K317-Q321 VanDerWaalsContact O-CG 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.44Å; K317-Q321 PolarHBondContact O-N 2.81Å; K317-E340 IonicContact NZ-OE1 3.73Å; K317-E340 PolarHBondContact NZ-OE1 2.73Å; K317-V343 HydrophobicContact CG-CG1 4.08Å; K317-L347 HydrophobicContact CB-CD1 3.68Å; K317-L347 HydrophobicContact CD-CD1 4.43Å; K317-L347 HydrophobicContact CG-CD1 3.64Å
318	R	97.3	Very high	95.6	Very high	169 Å²	169	37.8 Å²	37.8	64%	0.638	19%	0.186	S	C	*	.	H	α-helix	trans	-58.2	-40.5	-179	-174.6	-178.9	-64.5	168	1.9	112.3	T314 A315 R322	T314-R318 WeakPolarHBondContact O-CB 3.33Å; T314-R318 PolarHBondContact O-N 3.29Å; A315-R318 PolarHBondContact O-N 2.87Å; R318-R322 VanDerWaalsContact O-CB 3.3Å; R318-R322 WeakPolarHBondContact O-CB 3.5Å; R318-R322 PolarHBondContact O-N 3.2Å
319	Y	97.2	Very high	95.9	Very high	7 Å²	7	37 Å²	37	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-48.5	175.6	177.6	-121.9	0	0	0	111.6	A315 Y316 K317 R322 I323 W438 K442 A455 F456 F459	A315-Y319 WeakPolarHBondContact O-CB 3.41Å; A315-Y319 PolarHBondContact O-N 3.47Å; Y316-Y319 PolarHBondContact O-N 3.45Å; K317-Y319 VanDerWaalsContact C-N 3.29Å; K317-Y319 PolarHBondContact O-N 3.06Å; Y319-R322 PolarHBondContact O-N 2.76Å; Y319-I323 HydrophobicContact CD2-CG1 4.19Å; Y319-I323 HydrophobicContact CE2-CD1 3.84Å; Y319-I323 HydrophobicContact CE2-CG1 3.78Å; Y319-I323 VanDerWaalsContact O-CG1 3.28Å; Y319-I323 WeakPolarHBondContact O-CG1 3.29Å; Y319-I323 PolarHBondContact O-N 3.13Å; Y319-W438 AromaticContact CD1-CH2 3.67Å; Y319-W438 HydrophobicContact CD1-CH2 3.67Å; Y319-W438 HydrophobicContact CD1-CZ2 4.14Å; Y319-W438 AromaticContact CE1-CH2 3.62Å; Y319-W438 HydrophobicContact CE1-CH2 3.62Å; Y319-W438 HydrophobicContact CE1-CZ2 4.28Å; Y319-K442 HydrophobicContact CE1-CD 4.03Å; Y319-K442 HydrophobicContact CE1-CG 4.05Å; Y319-A455 HydrophobicContact CD2-CB 4.16Å; Y319-A455 VanDerWaalsContact CD2-O 3.3Å; Y319-A455 WeakPolarHBondContact CD2-O 3.23Å; Y319-A455 HydrophobicContact CE2-CB 4.12Å; Y319-F456 HydrophobicContact CE2-CB 3.94Å; Y319-F456 HydrophobicContact CE2-CD2 4.31Å; Y319-F459 HydrophobicContact CD1-CD1 4.38Å; Y319-F459 HydrophobicContact CD1-CG 4.26Å; Y319-F459 HydrophobicContact CD2-CB 4.02Å; Y319-F459 HydrophobicContact CG-CB 3.92Å; Y319-F459 HydrophobicContact CG-CD2 4.41Å; Y319-F459 HydrophobicContact CG-CG 4.03Å
320	F	97.6	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-50.8	177.4	-171.1	-178.4	0	0	0	111.5	W239 Y316 K317 R322 I323 V324 V343 I346 L347 W438	W239-F320 HydrophobicContact CH2-CE2 4.19Å; W239-F320 AromaticContact CZ2-CE2 3.87Å; W239-F320 HydrophobicContact CZ2-CE2 3.87Å; W239-F320 HydrophobicContact CZ2-CZ 4.44Å; Y316-F320 PolarHBondContact O-N 3.37Å; K317-F320 PolarHBondContact O-N 3.24Å; K317-F320 VanDerWaalsContact O-N 3.13Å; F320-R322 VanDerWaalsContact C-N 3.28Å; F320-R322 PolarHBondContact O-N 3.32Å; F320-I323 PolarHBondContact O-N 3.15Å; F320-I323 VanDerWaalsContact O-N 3.09Å; F320-V324 HydrophobicContact CD2-CG2 3.78Å; F320-V324 HydrophobicContact CE2-CG2 3.63Å; F320-V324 PolarHBondContact O-N 2.79Å; F320-V343 HydrophobicContact CB-CG1 4.25Å; F320-V343 HydrophobicContact CD1-CB 4.4Å; F320-V343 HydrophobicContact CD1-CG1 3.68Å; F320-V343 HydrophobicContact CD1-CG2 4.21Å; F320-V343 HydrophobicContact CD2-CG2 4.1Å; F320-V343 HydrophobicContact CE1-CB 4.43Å; F320-V343 HydrophobicContact CE1-CG1 4.15Å; F320-V343 HydrophobicContact CE1-CG2 4.18Å; F320-V343 HydrophobicContact CE2-CG2 4.05Å; F320-V343 HydrophobicContact CG-CG1 4Å; F320-V343 HydrophobicContact CG-CG2 4.15Å; F320-V343 HydrophobicContact CZ-CG2 4.09Å; F320-I346 HydrophobicContact CE1-CB 3.96Å; F320-I346 HydrophobicContact CE1-CD1 4.07Å; F320-I346 HydrophobicContact CE1-CG2 3.69Å; F320-I346 HydrophobicContact CZ-CB 4.39Å; F320-I346 HydrophobicContact CZ-CD1 3.7Å; F320-I346 HydrophobicContact CZ-CG2 4.07Å; F320-L347 HydrophobicContact CD1-CD2 4.39Å; F320-L347 HydrophobicContact CD1-CG 4.31Å; F320-W438 VanDerWaalsContact CA-CH2 3.48Å; F320-W438 HydrophobicContact CB-CH2 3.71Å; F320-W438 HydrophobicContact CB-CZ2 3.57Å; F320-W438 HydrophobicContact CB-CZ3 4.27Å; F320-W438 HydrophobicContact CD1-CD2 4.03Å; F320-W438 AromaticContact CD1-CE2 3.75Å; F320-W438 HydrophobicContact CD1-CG 4.19Å; F320-W438 HydrophobicContact CD1-CZ2 4.18Å; F320-W438 AromaticContact CD1-NE1 3.76Å; F320-W438 AromaticContact CD2-CD2 3.41Å; F320-W438 HydrophobicContact CD2-CD2 3.41Å; F320-W438 VanDerWaalsContact CD2-CD2 3.41Å; F320-W438 AromaticContact CD2-CE2 3.76Å; F320-W438 AromaticContact CD2-CE3 3.31Å; F320-W438 HydrophobicContact CD2-CE3 3.31Å; F320-W438 HydrophobicContact CD2-CG 4.02Å; F320-W438 AromaticContact CD2-CH2 3.92Å; F320-W438 HydrophobicContact CD2-CH2 3.92Å; F320-W438 HydrophobicContact CD2-CZ2 4Å; F320-W438 AromaticContact CD2-CZ3 3.59Å; F320-W438 HydrophobicContact CD2-CZ3 3.59Å; F320-W438 HydrophobicContact CE1-CB 4.3Å; F320-W438 AromaticContact CE1-CD1 3.69Å; F320-W438 HydrophobicContact CE1-CD2 4.06Å; F320-W438 AromaticContact CE1-CG 3.76Å; F320-W438 HydrophobicContact CE1-CG 3.76Å; F320-W438 AromaticContact CE1-NE1 3.92Å; F320-W438 HydrophobicContact CE2-CB 3.82Å; F320-W438 AromaticContact CE2-CD2 3.47Å; F320-W438 HydrophobicContact CE2-CD2 3.47Å; F320-W438 VanDerWaalsContact CE2-CD2 3.47Å; F320-W438 AromaticContact CE2-CE3 3.54Å; F320-W438 HydrophobicContact CE2-CE3 3.54Å; F320-W438 AromaticContact CE2-CG 3.61Å; F320-W438 HydrophobicContact CE2-CG 3.61Å; F320-W438 HydrophobicContact CE2-CZ3 4.28Å; F320-W438 AromaticContact CG-CD2 3.73Å; F320-W438 HydrophobicContact CG-CD2 3.73Å; F320-W438 AromaticContact CG-CE2 3.56Å; F320-W438 AromaticContact CG-CE3 3.99Å; F320-W438 HydrophobicContact CG-CE3 3.99Å; F320-W438 HydrophobicContact CG-CG 4.33Å; F320-W438 AromaticContact CG-CH2 3.93Å; F320-W438 HydrophobicContact CG-CH2 3.93Å; F320-W438 AromaticContact CG-CZ2 3.66Å; F320-W438 HydrophobicContact CG-CZ2 3.66Å; F320-W438 HydrophobicContact CG-CZ3 4.09Å; F320-W438 HydrophobicContact CZ-CB 3.6Å; F320-W438 AromaticContact CZ-CD1 3.87Å; F320-W438 AromaticContact CZ-CD2 3.8Å; F320-W438 HydrophobicContact CZ-CD2 3.8Å; F320-W438 HydrophobicContact CZ-CE3 4.34Å; F320-W438 AromaticContact CZ-CG 3.46Å; F320-W438 HydrophobicContact CZ-CG 3.46Å; F320-W438 VanDerWaalsContact CZ-CG 3.46Å
321	Q	97.8	Very high	96	Very high	36 Å²	36	37.7 Å²	37.7	17%	0.168	19%	0.185	C	C	.	.	H	α-helix	trans	-53.6	-45.3	176	-65.2	-178.8	-62.2	0	0	112	K317 I323 V324 E325 Y335 E340 V343	K317-Q321 HydrophobicContact CG-CG 4.19Å; K317-Q321 VanDerWaalsContact O-CG 3.31Å; K317-Q321 WeakPolarHBondContact O-CG 3.44Å; K317-Q321 PolarHBondContact O-N 2.81Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-I323 PolarHBondContact O-N 2.83Å; Q321-V324 PolarHBondContact O-N 3.16Å; Q321-E325 WeakPolarHBondContact O-CB 3.5Å; Q321-E325 PolarHBondContact O-N 3.1Å; Q321-Y335 WeakPolarHBondContact CG-OH 3.39Å; Q321-Y335 PolarHBondContact NE2-OH 2.68Å; Q321-E340 VanDerWaalsContact NE2-CG 3.32Å; Q321-E340 PolarHBondContact NE2-OE1 3.13Å; Q321-V343 HydrophobicContact CG-CB 4.34Å; Q321-V343 HydrophobicContact CG-CG1 3.82Å; Q321-V343 HydrophobicContact CG-CG2 4.38Å
322	R	97.4	Very high	96	Very high	101 Å²	101	38.2 Å²	38.2	38%	0.381	20%	0.2	S	C	.	.	H	α-helix	trans	-65.5	-34.6	179.7	-176.2	55.2	175.6	173.9	3.7	113.1	R318 Y319 F320 E325 L326 A455	R318-R322 VanDerWaalsContact O-CB 3.3Å; R318-R322 WeakPolarHBondContact O-CB 3.5Å; R318-R322 PolarHBondContact O-N 3.2Å; Y319-R322 PolarHBondContact O-N 2.76Å; F320-R322 VanDerWaalsContact C-N 3.28Å; F320-R322 PolarHBondContact O-N 3.32Å; R322-E325 WeakPolarHBondContact CD-OE2 3.28Å; R322-E325 IonicContact CZ-OE2 3.26Å; R322-E325 IonicContact NE-OE2 3.16Å; R322-E325 IonicContact NH1-OE1 2.8Å; R322-E325 PolarHBondContact NH1-OE1 2.64Å; R322-E325 IonicContact NH1-OE2 3.03Å; R322-E325 PolarHBondContact NH1-OE2 2.62Å; R322-L326 HydrophobicContact CG-CD1 4.4Å; R322-L326 WeakPolarHBondContact O-CB 3.48Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.21Å; R322-A455 HydrophobicContact CB-CB 4.45Å; R322-A455 HydrophobicContact CG-CB 3.75Å
323	I	96.9	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-44	175.6	-66.5	-74.3	0	0	0	110.7	Y319 F320 Q321 L326 I327 W438 T441 A445 Y452 A455	Y319-I323 HydrophobicContact CD2-CG1 4.19Å; Y319-I323 HydrophobicContact CE2-CD1 3.84Å; Y319-I323 HydrophobicContact CE2-CG1 3.78Å; Y319-I323 VanDerWaalsContact O-CG1 3.28Å; Y319-I323 WeakPolarHBondContact O-CG1 3.29Å; Y319-I323 PolarHBondContact O-N 3.13Å; F320-I323 PolarHBondContact O-N 3.15Å; F320-I323 VanDerWaalsContact O-N 3.09Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-I323 PolarHBondContact O-N 2.83Å; I323-L326 PolarHBondContact O-N 3.1Å; I323-I327 HydrophobicContact CG2-CD1 4.03Å; I323-I327 WeakPolarHBondContact O-CG1 3.32Å; I323-I327 PolarHBondContact O-N 3.41Å; I323-W438 HydrophobicContact CB-CZ3 3.91Å; I323-W438 HydrophobicContact CG1-CH2 4.37Å; I323-W438 HydrophobicContact CG1-CZ3 4.07Å; I323-W438 HydrophobicContact CG2-CZ3 3.9Å; I323-T441 HydrophobicContact CG2-CG2 3.49Å; I323-T441 VanDerWaalsContact CG2-CG2 3.49Å; I323-A445 HydrophobicContact CD1-CB 4.41Å; I323-Y452 HydrophobicContact CD1-CD1 3.44Å; I323-Y452 VanDerWaalsContact CD1-CD1 3.44Å; I323-Y452 HydrophobicContact CD1-CE1 3.82Å; I323-Y452 HydrophobicContact CG2-CE1 4.35Å; I323-A455 HydrophobicContact CD1-CB 4.44Å
324	V	97.4	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-45	175.6	176.6	0	0	0	0	110.7	W239 I241 L242 F320 Q321 L326 I327 A328 Y335 M339 V343	W239-V324 HydrophobicContact CH2-CG2 4.01Å; W239-V324 HydrophobicContact CZ2-CG2 4.33Å; I241-V324 HydrophobicContact CD1-CG1 4.19Å; I241-V324 HydrophobicContact CD1-CG2 4.28Å; I241-V324 HydrophobicContact CG1-CG1 4.32Å; I241-V324 HydrophobicContact CG2-CG1 4.44Å; L242-V324 HydrophobicContact CD2-CG1 3.95Å; F320-V324 HydrophobicContact CD2-CG2 3.78Å; F320-V324 HydrophobicContact CE2-CG2 3.63Å; F320-V324 PolarHBondContact O-N 2.79Å; Q321-V324 PolarHBondContact O-N 3.16Å; V324-L326 PolarHBondContact O-N 2.89Å; V324-I327 PolarHBondContact O-N 3.29Å; V324-A328 VanDerWaalsContact O-CB 3.26Å; V324-A328 WeakPolarHBondContact O-CB 3.29Å; V324-A328 PolarHBondContact O-N 3.45Å; V324-Y335 HydrophobicContact CB-CD2 4.45Å; V324-Y335 HydrophobicContact CB-CE2 4.1Å; V324-Y335 HydrophobicContact CG1-CD2 4.05Å; V324-Y335 HydrophobicContact CG1-CE2 3.9Å; V324-M339 HydrophobicContact CG1-CB 4.4Å; V324-M339 HydrophobicContact CG1-SD 4.2Å; V324-V343 HydrophobicContact CG2-CG2 4.28Å
325	E	97	Very high	95.9	Very high	66 Å²	66	44.2 Å²	44.2	31%	0.308	23%	0.229	S	C	.	.	H	α-helix	trans	-57.4	-44.3	175.7	-171.6	-157.2	160.6	0	0	112.6	Q321 R322 T329 Y335	Q321-E325 WeakPolarHBondContact O-CB 3.5Å; Q321-E325 PolarHBondContact O-N 3.1Å; R322-E325 WeakPolarHBondContact CD-OE2 3.28Å; R322-E325 IonicContact CZ-OE2 3.26Å; R322-E325 IonicContact NE-OE2 3.16Å; R322-E325 IonicContact NH1-OE1 2.8Å; R322-E325 PolarHBondContact NH1-OE1 2.64Å; R322-E325 IonicContact NH1-OE2 3.03Å; R322-E325 PolarHBondContact NH1-OE2 2.62Å; E325-T329 VanDerWaalsContact O-CB 3.3Å; E325-T329 WeakPolarHBondContact O-CB 3.21Å; E325-T329 PolarHBondContact O-N 2.71Å; E325-T329 PolarHBondContact O-OG1 2.77Å; E325-Y335 HydrophobicContact CB-CD2 3.91Å; E325-Y335 HydrophobicContact CB-CG 4.15Å; E325-Y335 HydrophobicContact CG-CG 4.27Å
326	L	96.1	Very high	95.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-42.1	179.6	-77.5	171	0	0	0	112.5	R322 I323 V324 D330 R451	R322-L326 HydrophobicContact CG-CD1 4.4Å; R322-L326 WeakPolarHBondContact O-CB 3.48Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.21Å; I323-L326 PolarHBondContact O-N 3.1Å; V324-L326 PolarHBondContact O-N 2.89Å; L326-D330 PolarHBondContact O-N 2.71Å; L326-R451 HydrophobicContact CD1-CB 3.9Å; L326-R451 HydrophobicContact CD2-CB 3.73Å; L326-R451 HydrophobicContact CD2-CG 4.24Å
327	I	95.7	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-73.9	-43.9	179.7	-59.9	164.6	0	0	0	110.3	I229 I230 W239 L242 I323 V324 T329 D330 M331 T441 Y452	I229-I327 HydrophobicContact CG2-CD1 4.49Å; I230-I327 HydrophobicContact CD1-CG2 4.15Å; I230-I327 HydrophobicContact CG1-CG2 3.73Å; W239-I327 HydrophobicContact CE3-CD1 4.46Å; W239-I327 HydrophobicContact CZ3-CD1 3.77Å; L242-I327 HydrophobicContact CD1-CB 4.07Å; L242-I327 HydrophobicContact CD1-CG2 3.46Å; L242-I327 VanDerWaalsContact CD1-CG2 3.46Å; I323-I327 HydrophobicContact CG2-CD1 4.03Å; I323-I327 WeakPolarHBondContact O-CG1 3.32Å; I323-I327 PolarHBondContact O-N 3.41Å; V324-I327 PolarHBondContact O-N 3.29Å; I327-T329 VanDerWaalsContact C-N 3.3Å; I327-T329 PolarHBondContact O-N 2.94Å; I327-D330 PolarHBondContact O-N 3.31Å; I327-M331 HydrophobicContact CG2-CG 4.49Å; I327-M331 HydrophobicContact CG2-SD 3.93Å; I327-M331 WeakPolarHBondContact O-CG 3.43Å; I327-M331 PolarHBondContact O-N 2.86Å; I327-T441 HydrophobicContact CD1-CG2 3.61Å; I327-Y452 HydrophobicContact CG1-CE1 4.49Å; I327-Y452 WeakPolarHBondContact CG1-OH 3.01Å
328	A	95.6	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-46.2	174.6	0	0	0	0	0	111.4	L242 V324 D330 M331 G332 M333 M339	L242-A328 HydrophobicContact CD2-CB 3.86Å; V324-A328 VanDerWaalsContact O-CB 3.26Å; V324-A328 WeakPolarHBondContact O-CB 3.29Å; V324-A328 PolarHBondContact O-N 3.45Å; A328-D330 PolarHBondContact O-N 2.88Å; A328-M331 CarbonylContact O-C 3.53Å; A328-M331 WeakPolarHBondContact O-CA 3.38Å; A328-M331 PolarHBondContact O-N 3.35Å; A328-M331 VanDerWaalsContact O-N 3.13Å; A328-G332 PolarHBondContact O-N 3.13Å; A328-G332 VanDerWaalsContact O-N 3.16Å; A328-M333 CarbonylContact C-O 2.99Å; A328-M333 HydrophobicContact CB-CB 4.3Å; A328-M333 HydrophobicContact CB-CE 3.97Å; A328-M333 PolarHBondContact O-N 3.28Å; A328-M339 HydrophobicContact CB-CE 4.41Å; A328-M339 HydrophobicContact CB-SD 4.35Å
329	T	95	Very high	95.7	Very high	78 Å²	78	49.6 Å²	49.6	48%	0.479	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-42.9	177.5	-58.2	0	0	0	0	112.1	E325 I327 M331 G332	E325-T329 VanDerWaalsContact O-CB 3.3Å; E325-T329 WeakPolarHBondContact O-CB 3.21Å; E325-T329 PolarHBondContact O-N 2.71Å; E325-T329 PolarHBondContact O-OG1 2.77Å; I327-T329 VanDerWaalsContact C-N 3.3Å; I327-T329 PolarHBondContact O-N 2.94Å; T329-M331 VanDerWaalsContact C-N 3.31Å; T329-M331 PolarHBondContact O-N 3.22Å; T329-G332 PolarHBondContact O-N 3.41Å; T329-G332 VanDerWaalsContact O-N 3.12Å
330	D	93.7	Very high	95.7	Very high	36 Å²	36	53 Å²	53	19%	0.193	28%	0.281	C	S	.	.	H	α-helix	trans	-72.9	-22.9	177.2	-75.8	-20.4	0	0	0	113.4	K225 S226 I230 L326 I327 A328 R451	K225-D330 WeakPolarHBondContact CB-OD2 3.35Å; K225-D330 IonicContact NZ-OD1 3.64Å; K225-D330 PolarHBondContact NZ-OD1 3.04Å; S226-D330 VanDerWaalsContact CB-OD2 3.28Å; S226-D330 WeakPolarHBondContact CB-OD2 3.25Å; S226-D330 PolarHBondContact N-OD2 3.45Å; S226-D330 PolarHBondContact OG-OD2 3Å; I230-D330 HydrophobicContact CD1-CB 4.38Å; L326-D330 PolarHBondContact O-N 2.71Å; I327-D330 PolarHBondContact O-N 3.31Å; A328-D330 PolarHBondContact O-N 2.88Å; D330-R451 IonicContact OD1-CZ 2.68Å; D330-R451 IonicContact OD1-NH1 2.76Å; D330-R451 PolarHBondContact OD1-NH1 2.55Å; D330-R451 IonicContact OD1-NH2 3.79Å; D330-R451 PolarHBondContact OD1-NH2 2.55Å; D330-R451 IonicContact OD2-CZ 3.79Å; D330-R451 IonicContact OD2-NH1 3Å; D330-R451 PolarHBondContact OD2-NH1 3.16Å; D330-R451 IonicContact OD2-NH2 2.75Å; D330-R451 PolarHBondContact OD2-NH2 3.33Å
331	M	93.3	Very high	95.7	Very high	55 Å²	55	55.5 Å²	55.5	27%	0.271	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.3	168.8	-72.6	175.1	57.8	0	0	113.2	I230 L242 E243 I327 A328 T329 M333	I230-M331 HydrophobicContact CD1-CG 3.66Å; I230-M331 HydrophobicContact CD1-SD 4.39Å; I230-M331 HydrophobicContact CG1-CG 4.14Å; I230-M331 HydrophobicContact CG1-SD 4.23Å; I230-M331 HydrophobicContact CG2-CG 4.44Å; I230-M331 HydrophobicContact CG2-SD 4.45Å; L242-M331 HydrophobicContact CB-CE 4.13Å; L242-M331 HydrophobicContact CB-SD 4.25Å; L242-M331 HydrophobicContact CD1-SD 3.96Å; E243-M331 HydrophobicContact CG-CE 4.41Å; I327-M331 HydrophobicContact CG2-CG 4.49Å; I327-M331 HydrophobicContact CG2-SD 3.93Å; I327-M331 WeakPolarHBondContact O-CG 3.43Å; I327-M331 PolarHBondContact O-N 2.86Å; A328-M331 CarbonylContact O-C 3.53Å; A328-M331 WeakPolarHBondContact O-CA 3.38Å; A328-M331 PolarHBondContact O-N 3.35Å; A328-M331 VanDerWaalsContact O-N 3.13Å; T329-M331 VanDerWaalsContact C-N 3.31Å; T329-M331 PolarHBondContact O-N 3.22Å; M331-M333 HydrophobicContact CB-CE 4.01Å; M331-M333 HydrophobicContact CB-CG 4.46Å; M331-M333 HydrophobicContact CE-CE 3.87Å; M331-M333 HydrophobicContact SD-CE 4.27Å
332	G	93.4	Very high	95.6	Very high	73 Å²	73	55 Å²	55	75%	0.753	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	16	179.8	0	0	0	0	0	114.6	A328 T329	A328-G332 PolarHBondContact O-N 3.13Å; A328-G332 VanDerWaalsContact O-N 3.16Å; T329-G332 PolarHBondContact O-N 3.41Å; T329-G332 VanDerWaalsContact O-N 3.12Å
333	M	93.6	Very high	95.7	Very high	59 Å²	59	50.1 Å²	50.1	29%	0.291	28%	0.281	S	S	.	.			trans	-105.7	153.6	-179.5	-54.1	-176.6	-58.4	0	0	111.9	L242 A328 M331 M339	L242-M333 HydrophobicContact CB-CE 4.02Å; L242-M333 HydrophobicContact CD2-CE 3.97Å; L242-M333 VanDerWaalsContact O-CE 3.28Å; L242-M333 WeakPolarHBondContact O-CE 3.13Å; A328-M333 CarbonylContact C-O 2.99Å; A328-M333 HydrophobicContact CB-CB 4.3Å; A328-M333 HydrophobicContact CB-CE 3.97Å; A328-M333 PolarHBondContact O-N 3.28Å; M331-M333 HydrophobicContact CB-CE 4.01Å; M331-M333 HydrophobicContact CB-CG 4.46Å; M331-M333 HydrophobicContact CE-CE 3.87Å; M331-M333 HydrophobicContact SD-CE 4.27Å; M333-M339 HydrophobicContact CE-CE 4.28Å
334	T	93.7	Very high	95.7	Very high	115 Å²	115	51.5 Å²	51.5	71%	0.706	30%	0.295	S	S	*	.			trans	-89.2	136.5	167	52.1	0	0	0	0	110.5	T336	T334-T336 WeakPolarHBondContact O-CG2 3.32Å; T334-T336 PolarHBondContact O-N 3.18Å
335	Y	95.1	Very high	95.7	Very high	61 Å²	61	56.7 Å²	56.7	24%	0.239	32%	0.319	C	S	.	.			trans	-63	127.7	171.9	-178.6	-90.8	0	0	0	111.2	Q321 V324 E325 M339 E340	Q321-Y335 WeakPolarHBondContact CG-OH 3.39Å; Q321-Y335 PolarHBondContact NE2-OH 2.68Å; V324-Y335 HydrophobicContact CB-CD2 4.45Å; V324-Y335 HydrophobicContact CB-CE2 4.1Å; V324-Y335 HydrophobicContact CG1-CD2 4.05Å; V324-Y335 HydrophobicContact CG1-CE2 3.9Å; E325-Y335 HydrophobicContact CB-CD2 3.91Å; E325-Y335 HydrophobicContact CB-CG 4.15Å; E325-Y335 HydrophobicContact CG-CG 4.27Å; Y335-M339 HydrophobicContact CD2-CB 3.99Å; Y335-M339 HydrophobicContact CD2-SD 3.86Å; Y335-M339 HydrophobicContact CE2-CB 3.74Å; Y335-M339 HydrophobicContact CG-SD 4.34Å; Y335-E340 HydrophobicContact CE1-CB 4.23Å; Y335-E340 VanDerWaalsContact OH-CA 3.31Å; Y335-E340 WeakPolarHBondContact OH-CA 3.33Å; Y335-E340 WeakPolarHBondContact OH-CB 3.29Å; Y335-E340 PolarHBondContact OH-N 2.92Å
336	T	96	Very high	95.8	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.294	31%	0.305	S	S	.	.			trans	-107.4	171	-173.6	79.1	0	0	0	0	113.2	T334 D338 M339 E340	T334-T336 WeakPolarHBondContact O-CG2 3.32Å; T334-T336 PolarHBondContact O-N 3.18Å; T336-D338 WeakPolarHBondContact CB-OD2 3.34Å; T336-D338 PolarHBondContact O-N 3.35Å; T336-D338 PolarHBondContact OG1-N 3.17Å; T336-D338 VanDerWaalsContact OG1-N 3.16Å; T336-D338 PolarHBondContact OG1-OD2 2.95Å; T336-M339 PolarHBondContact O-N 2.81Å; T336-M339 PolarHBondContact OG1-N 2.73Å; T336-E340 PolarHBondContact O-N 3.24Å
337	K	95.6	Very high	95.8	Very high	178 Å²	178	54.2 Å²	54.2	77%	0.774	31%	0.308	S	S	*	.	H	α-helix	trans	-66.2	-28.6	170.1	-76.5	-170.6	171.5	-173.2	0	112.7	E340 A341	K337-E340 WeakPolarHBondContact O-CB 3.39Å; K337-E340 PolarHBondContact O-N 3.33Å; K337-A341 PolarHBondContact O-N 2.85Å
338	D	95	Very high	95.9	Very high	110 Å²	110	59.1 Å²	59.1	59%	0.588	34%	0.335	S	S	*	.	H	α-helix	trans	-70.2	-39.8	178.8	-31.2	-71.4	0	0	0	109.8	T336 E340 A341 E342	T336-D338 WeakPolarHBondContact CB-OD2 3.34Å; T336-D338 PolarHBondContact O-N 3.35Å; T336-D338 PolarHBondContact OG1-N 3.17Å; T336-D338 VanDerWaalsContact OG1-N 3.16Å; T336-D338 PolarHBondContact OG1-OD2 2.95Å; D338-E340 VanDerWaalsContact C-N 3.31Å; D338-E340 PolarHBondContact O-N 2.98Å; D338-A341 WeakPolarHBondContact O-CB 3.42Å; D338-A341 PolarHBondContact O-N 3.27Å; D338-A341 VanDerWaalsContact O-N 3.11Å; D338-E342 PolarHBondContact O-N 2.88Å
339	M	97	Very high	96	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.069	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-37.8	168.6	-62.3	179.3	-178.5	0	0	112.2	I241 V324 A328 M333 Y335 T336 V343	I241-M339 HydrophobicContact CD1-CB 4.48Å; I241-M339 HydrophobicContact CG1-CB 4.17Å; I241-M339 HydrophobicContact CG1-CG 4.16Å; I241-M339 WeakPolarHBondContact O-CE 3.36Å; V324-M339 HydrophobicContact CG1-CB 4.4Å; V324-M339 HydrophobicContact CG1-SD 4.2Å; A328-M339 HydrophobicContact CB-CE 4.41Å; A328-M339 HydrophobicContact CB-SD 4.35Å; M333-M339 HydrophobicContact CE-CE 4.28Å; Y335-M339 HydrophobicContact CD2-CB 3.99Å; Y335-M339 HydrophobicContact CD2-SD 3.86Å; Y335-M339 HydrophobicContact CE2-CB 3.74Å; Y335-M339 HydrophobicContact CG-SD 4.34Å; T336-M339 PolarHBondContact O-N 2.81Å; T336-M339 PolarHBondContact OG1-N 2.73Å; M339-V343 WeakPolarHBondContact O-CG2 3.36Å; M339-V343 PolarHBondContact O-N 3.22Å
340	E	96.8	Very high	96.2	Very high	78 Å²	78	56 Å²	56	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-37.3	172.3	168	154.9	-140.6	0	0	112.9	K317 Q321 Y335 T336 K337 D338 G344	K317-E340 IonicContact NZ-OE1 3.73Å; K317-E340 PolarHBondContact NZ-OE1 2.73Å; Q321-E340 VanDerWaalsContact NE2-CG 3.32Å; Q321-E340 PolarHBondContact NE2-OE1 3.13Å; Y335-E340 HydrophobicContact CE1-CB 4.23Å; Y335-E340 VanDerWaalsContact OH-CA 3.31Å; Y335-E340 WeakPolarHBondContact OH-CA 3.33Å; Y335-E340 WeakPolarHBondContact OH-CB 3.29Å; Y335-E340 PolarHBondContact OH-N 2.92Å; T336-E340 PolarHBondContact O-N 3.24Å; K337-E340 WeakPolarHBondContact O-CB 3.39Å; K337-E340 PolarHBondContact O-N 3.33Å; D338-E340 VanDerWaalsContact C-N 3.31Å; D338-E340 PolarHBondContact O-N 2.98Å; E340-G344 PolarHBondContact O-N 3.01Å; E340-G344 VanDerWaalsContact O-N 3.1Å
341	A	97.1	Very high	96.4	Very high	53 Å²	53	56.7 Å²	56.7	44%	0.438	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-48.4	176.1	0	0	0	0	0	111.2	K337 D338 V343 G344 E345	K337-A341 PolarHBondContact O-N 2.85Å; D338-A341 WeakPolarHBondContact O-CB 3.42Å; D338-A341 PolarHBondContact O-N 3.27Å; D338-A341 VanDerWaalsContact O-N 3.11Å; A341-V343 PolarHBondContact O-N 3.5Å; A341-G344 CarbonylContact O-C 3.45Å; A341-G344 VanDerWaalsContact O-CA 3.28Å; A341-G344 WeakPolarHBondContact O-CA 3.47Å; A341-G344 PolarHBondContact O-N 2.63Å; A341-E345 PolarHBondContact O-N 3.34Å
342	E	97.1	Very high	96.5	Very high	24 Å²	24	57.1 Å²	57.1	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-42.1	176.4	-72.1	-170.9	-109.9	0	0	111.7	I241 D338 G344 E345 I346 R430 N434	I241-E342 HydrophobicContact CD1-CB 3.65Å; I241-E342 HydrophobicContact CG1-CB 3.86Å; I241-E342 HydrophobicContact CG1-CG 4.49Å; D338-E342 PolarHBondContact O-N 2.88Å; E342-G344 PolarHBondContact O-N 3.24Å; E342-E345 PolarHBondContact O-N 2.91Å; E342-I346 WeakPolarHBondContact O-CD1 3.34Å; E342-I346 WeakPolarHBondContact O-CG1 3.49Å; E342-I346 PolarHBondContact O-N 3.23Å; E342-R430 VanDerWaalsContact CD-NH2 3.25Å; E342-R430 IonicContact OE1-CZ 2.71Å; E342-R430 IonicContact OE1-NE 2.67Å; E342-R430 IonicContact OE1-NH2 2.85Å; E342-R430 PolarHBondContact OE1-NH2 3.03Å; E342-R430 IonicContact OE2-CZ 3.55Å; E342-R430 VanDerWaalsContact OE2-CZ 3.27Å; E342-R430 IonicContact OE2-NE 2.65Å; E342-R430 PolarHBondContact OE2-NE 3.4Å; E342-R430 IonicContact OE2-NH2 2.69Å; E342-R430 PolarHBondContact OE2-NH2 3.14Å; E342-N434 PolarHBondContact OE2-ND2 3.02Å
343	V	98.2	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-38.1	170.9	167.3	0	0	0	0	111.6	I241 K317 F320 Q321 V324 M339 A341 L347	I241-V343 HydrophobicContact CD1-CG2 3.83Å; K317-V343 HydrophobicContact CG-CG1 4.08Å; F320-V343 HydrophobicContact CB-CG1 4.25Å; F320-V343 HydrophobicContact CD1-CB 4.4Å; F320-V343 HydrophobicContact CD1-CG1 3.68Å; F320-V343 HydrophobicContact CD1-CG2 4.21Å; F320-V343 HydrophobicContact CD2-CG2 4.1Å; F320-V343 HydrophobicContact CE1-CB 4.43Å; F320-V343 HydrophobicContact CE1-CG1 4.15Å; F320-V343 HydrophobicContact CE1-CG2 4.18Å; F320-V343 HydrophobicContact CE2-CG2 4.05Å; F320-V343 HydrophobicContact CG-CG1 4Å; F320-V343 HydrophobicContact CG-CG2 4.15Å; F320-V343 HydrophobicContact CZ-CG2 4.09Å; Q321-V343 HydrophobicContact CG-CB 4.34Å; Q321-V343 HydrophobicContact CG-CG1 3.82Å; Q321-V343 HydrophobicContact CG-CG2 4.38Å; V324-V343 HydrophobicContact CG2-CG2 4.28Å; M339-V343 WeakPolarHBondContact O-CG2 3.36Å; M339-V343 PolarHBondContact O-N 3.22Å; A341-V343 PolarHBondContact O-N 3.5Å; V343-L347 HydrophobicContact CG1-CD1 3.85Å; V343-L347 WeakPolarHBondContact O-CB 3.35Å; V343-L347 WeakPolarHBondContact O-CD1 3.47Å; V343-L347 WeakPolarHBondContact O-CG 3.22Å; V343-L347 PolarHBondContact O-N 3.34Å; V343-L347 VanDerWaalsContact O-N 3.15Å
344	G	97.5	Very high	96.9	Very high	29 Å²	29	50.9 Å²	50.9	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-46.4	174.3	0	0	0	0	0	113.2	E340 A341 E342 L347 N348	E340-G344 PolarHBondContact O-N 3.01Å; E340-G344 VanDerWaalsContact O-N 3.1Å; A341-G344 CarbonylContact O-C 3.45Å; A341-G344 VanDerWaalsContact O-CA 3.28Å; A341-G344 WeakPolarHBondContact O-CA 3.47Å; A341-G344 PolarHBondContact O-N 2.63Å; E342-G344 PolarHBondContact O-N 3.24Å; G344-L347 PolarHBondContact O-N 2.88Å; G344-N348 WeakPolarHBondContact O-CB 3.16Å; G344-N348 PolarHBondContact O-N 3.35Å
345	E	97.7	Very high	97.1	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-44.7	178.3	-68.7	176.4	178.4	0	0	112.1	A341 E342 L347 N348 F349	A341-E345 PolarHBondContact O-N 3.34Å; E342-E345 PolarHBondContact O-N 2.91Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 3.22Å; E345-N348 WeakPolarHBondContact O-CB 3.47Å; E345-N348 PolarHBondContact O-N 3.35Å; E345-N348 VanDerWaalsContact O-N 3.14Å; E345-F349 PolarHBondContact O-N 2.9Å
346	I	98.1	Very high	97.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-37.3	179.2	-60.8	154.2	0	0	0	111.1	I241 F320 E342 E350 V431 N434 Y435	I241-I346 HydrophobicContact CD1-CD1 4.36Å; F320-I346 HydrophobicContact CE1-CB 3.96Å; F320-I346 HydrophobicContact CE1-CD1 4.07Å; F320-I346 HydrophobicContact CE1-CG2 3.69Å; F320-I346 HydrophobicContact CZ-CB 4.39Å; F320-I346 HydrophobicContact CZ-CD1 3.7Å; F320-I346 HydrophobicContact CZ-CG2 4.07Å; E342-I346 WeakPolarHBondContact O-CD1 3.34Å; E342-I346 WeakPolarHBondContact O-CG1 3.49Å; E342-I346 PolarHBondContact O-N 3.23Å; I346-E350 PolarHBondContact O-N 2.83Å; I346-V431 HydrophobicContact CG1-CG1 4.49Å; I346-N434 HydrophobicContact CD1-CB 3.52Å; I346-N434 HydrophobicContact CG1-CB 3.87Å; I346-Y435 HydrophobicContact CG2-CD2 3.75Å; I346-Y435 HydrophobicContact CG2-CG 4.42Å
347	L	97.5	Very high	97.1	Very high	18 Å²	18	44.9 Å²	44.9	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-72	-32.6	174.4	-71	168.8	0	0	0	112.5	Y316 K317 F320 V343 G344 E345 E350 K351	Y316-L347 HydrophobicContact CD1-CD2 3.59Å; Y316-L347 HydrophobicContact CE1-CD2 3.32Å; K317-L347 HydrophobicContact CB-CD1 3.68Å; K317-L347 HydrophobicContact CD-CD1 4.43Å; K317-L347 HydrophobicContact CG-CD1 3.64Å; F320-L347 HydrophobicContact CD1-CD2 4.39Å; F320-L347 HydrophobicContact CD1-CG 4.31Å; V343-L347 HydrophobicContact CG1-CD1 3.85Å; V343-L347 WeakPolarHBondContact O-CB 3.35Å; V343-L347 WeakPolarHBondContact O-CD1 3.47Å; V343-L347 WeakPolarHBondContact O-CG 3.22Å; V343-L347 PolarHBondContact O-N 3.34Å; V343-L347 VanDerWaalsContact O-N 3.15Å; G344-L347 PolarHBondContact O-N 2.88Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 3.22Å; L347-E350 PolarHBondContact O-N 3.22Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.16Å; L347-K351 VanDerWaalsContact O-N 3.1Å
348	N	97.2	Very high	97	Very high	103 Å²	103	37.8 Å²	37.8	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-69.5	-42.8	174.3	-168.8	67	0	0	0	111.4	G344 E345 E350 K351 T352	G344-N348 WeakPolarHBondContact O-CB 3.16Å; G344-N348 PolarHBondContact O-N 3.35Å; E345-N348 WeakPolarHBondContact O-CB 3.47Å; E345-N348 PolarHBondContact O-N 3.35Å; E345-N348 VanDerWaalsContact O-N 3.14Å; N348-E350 VanDerWaalsContact C-N 3.31Å; N348-E350 PolarHBondContact O-N 3.45Å; N348-K351 WeakPolarHBondContact O-CB 3.49Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-T352 PolarHBondContact O-N 3.25Å; N348-T352 VanDerWaalsContact O-N 3.16Å; N348-T352 PolarHBondContact O-OG1 3.25Å
349	F	98.3	Very high	96.9	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-44.5	168.8	168.1	-97.5	0	0	0	111.6	F269 E345 K351 T352 Y353 L423 T427 V431 L432 Y435	F269-F349 AromaticContact CE1-CE1 3.74Å; F269-F349 HydrophobicContact CE1-CE1 3.74Å; F269-F349 AromaticContact CE1-CZ 3.61Å; F269-F349 HydrophobicContact CE1-CZ 3.61Å; F269-F349 HydrophobicContact CZ-CE1 4.1Å; F269-F349 AromaticContact CZ-CZ 3.95Å; F269-F349 HydrophobicContact CZ-CZ 3.95Å; E345-F349 PolarHBondContact O-N 2.9Å; F349-K351 VanDerWaalsContact C-N 3.28Å; F349-K351 PolarHBondContact O-N 3.43Å; F349-T352 PolarHBondContact O-N 3.23Å; F349-Y353 WeakPolarHBondContact O-CB 3.31Å; F349-Y353 PolarHBondContact O-N 3.34Å; F349-L423 HydrophobicContact CD2-CD1 4.4Å; F349-L423 HydrophobicContact CE2-CD1 4.15Å; F349-L423 HydrophobicContact CE2-CD2 4.07Å; F349-L423 HydrophobicContact CE2-CG 3.88Å; F349-T427 HydrophobicContact CD2-CG2 3.61Å; F349-T427 HydrophobicContact CE2-CG2 3.84Å; F349-T427 WeakPolarHBondContact CE2-OG1 3.34Å; F349-T427 HydrophobicContact CG-CG2 4.49Å; F349-V431 HydrophobicContact CB-CG1 3.83Å; F349-V431 HydrophobicContact CG-CG1 4.1Å; F349-L432 HydrophobicContact CD2-CD2 4.36Å; F349-L432 HydrophobicContact CE1-CD2 4.18Å; F349-L432 HydrophobicContact CE2-CD2 3.49Å; F349-L432 VanDerWaalsContact CE2-CD2 3.49Å; F349-L432 HydrophobicContact CZ-CD2 3.39Å; F349-Y435 HydrophobicContact CD1-CD1 4.48Å; F349-Y435 HydrophobicContact CD1-CD2 4.01Å; F349-Y435 AromaticContact CD1-CG 3.99Å; F349-Y435 HydrophobicContact CD1-CG 3.99Å; F349-Y435 AromaticContact CE1-CD1 3.79Å; F349-Y435 HydrophobicContact CE1-CD1 3.79Å; F349-Y435 HydrophobicContact CE1-CD2 4.11Å; F349-Y435 HydrophobicContact CE1-CE1 4.17Å; F349-Y435 AromaticContact CE1-CG 3.74Å; F349-Y435 HydrophobicContact CE1-CG 3.74Å
350	E	97.7	Very high	96.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-27.7	178.5	-169.5	162.9	-119.4	0	0	113.4	L293 G294 Y303 Y316 I346 L347 N348 Y353 A354 Y435	L293-E350 HydrophobicContact CD2-CG 4.27Å; G294-E350 WeakPolarHBondContact CA-OE1 2.94Å; G294-E350 PolarHBondContact N-OE1 3.11Å; Y303-E350 HydrophobicContact CD1-CG 4.16Å; Y303-E350 HydrophobicContact CE1-CB 4.13Å; Y303-E350 HydrophobicContact CE1-CG 3.44Å; Y303-E350 VanDerWaalsContact CE1-CG 3.44Å; Y303-E350 VanDerWaalsContact CE1-OE2 3.27Å; Y303-E350 WeakPolarHBondContact CE1-OE2 3.45Å; Y303-E350 PolarHBondContact OH-OE2 3.41Å; Y316-E350 WeakPolarHBondContact CE1-OE2 3.24Å; Y316-E350 PolarHBondContact OH-OE2 2.8Å; I346-E350 PolarHBondContact O-N 2.83Å; L347-E350 PolarHBondContact O-N 3.22Å; N348-E350 VanDerWaalsContact C-N 3.31Å; N348-E350 PolarHBondContact O-N 3.45Å; E350-Y353 HydrophobicContact CG-CD1 4.48Å; E350-A354 WeakPolarHBondContact O-CB 3.01Å; E350-A354 PolarHBondContact O-N 3.15Å; E350-Y435 HydrophobicContact CB-CE2 4Å; E350-Y435 HydrophobicContact CG-CE2 3.99Å; E350-Y435 WeakPolarHBondContact OE1-CE2 3.25Å; E350-Y435 VanDerWaalsContact OE1-CZ 3.24Å; E350-Y435 PolarHBondContact OE1-OH 3.14Å
351	K	97.5	Very high	96.2	Very high	51 Å²	51	31.9 Å²	31.9	22%	0.222	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-44.7	170.6	-72.5	176.7	174	-176.5	0	112.5	Y303 D306 L347 N348 F349 Y353 A354 A355	Y303-K351 HydrophobicContact CD1-CG 4.06Å; D306-K351 WeakPolarHBondContact OD1-CE 3.46Å; D306-K351 IonicContact OD1-NZ 2.81Å; D306-K351 PolarHBondContact OD1-NZ 3.27Å; D306-K351 IonicContact OD2-NZ 3.09Å; D306-K351 PolarHBondContact OD2-NZ 2.91Å; L347-K351 WeakPolarHBondContact O-CG 3.4Å; L347-K351 PolarHBondContact O-N 3.16Å; L347-K351 VanDerWaalsContact O-N 3.1Å; N348-K351 WeakPolarHBondContact O-CB 3.49Å; N348-K351 PolarHBondContact O-N 3.47Å; F349-K351 VanDerWaalsContact C-N 3.28Å; F349-K351 PolarHBondContact O-N 3.43Å; K351-Y353 VanDerWaalsContact C-N 3.27Å; K351-Y353 PolarHBondContact O-N 3.1Å; K351-A354 PolarHBondContact O-N 3.34Å; K351-A355 PolarHBondContact O-N 3.12Å
352	T	97.5	Very high	95.8	Very high	64 Å²	64	35.2 Å²	35.2	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-41.4	173.7	-52.9	0	0	0	0	111	N348 F349 A355 I356 L423	N348-T352 PolarHBondContact O-N 3.25Å; N348-T352 VanDerWaalsContact O-N 3.16Å; N348-T352 PolarHBondContact O-OG1 3.25Å; F349-T352 PolarHBondContact O-N 3.23Å; T352-A355 PolarHBondContact O-N 2.89Å; T352-I356 PolarHBondContact O-N 3.35Å; T352-L423 HydrophobicContact CG2-CD1 3.71Å; T352-L423 HydrophobicContact CG2-CD2 4.31Å
353	Y	97.9	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-46.3	174.6	177.5	-141.7	0	0	0	112	F269 G291 S292 L293 F349 E350 K351 A355 I356 T357 Y416 I420 Y435	F269-Y353 HydrophobicContact CD1-CE1 4.34Å; F269-Y353 HydrophobicContact CD1-CE2 4.22Å; G291-Y353 WeakPolarHBondContact CA-OH 3.39Å; S292-Y353 PolarHBondContact O-OH 3.18Å; S292-Y353 VanDerWaalsContact O-OH 3.05Å; L293-Y353 HydrophobicContact CD2-CD1 3.51Å; L293-Y353 HydrophobicContact CD2-CE1 3.64Å; L293-Y353 HydrophobicContact CD2-CG 4.13Å; F349-Y353 WeakPolarHBondContact O-CB 3.31Å; F349-Y353 PolarHBondContact O-N 3.34Å; E350-Y353 HydrophobicContact CG-CD1 4.48Å; K351-Y353 VanDerWaalsContact C-N 3.27Å; K351-Y353 PolarHBondContact O-N 3.1Å; Y353-A355 VanDerWaalsContact C-N 3.28Å; Y353-A355 PolarHBondContact O-N 2.75Å; Y353-I356 HydrophobicContact CD2-CG1 4.45Å; Y353-I356 WeakPolarHBondContact O-CG1 3.2Å; Y353-I356 PolarHBondContact O-N 3.06Å; Y353-T357 PolarHBondContact O-N 3.42Å; Y353-T357 PolarHBondContact O-OG1 2.93Å; Y353-T357 VanDerWaalsContact O-OG1 3.09Å; Y353-Y416 HydrophobicContact CE2-CE2 4.25Å; Y353-Y416 VanDerWaalsContact CE2-OH 3.27Å; Y353-Y416 WeakPolarHBondContact CE2-OH 3.49Å; Y353-Y416 PolarHBondContact OH-OH 2.9Å; Y353-I420 HydrophobicContact CD2-CD1 3.74Å; Y353-I420 HydrophobicContact CE2-CD1 3.82Å; Y353-I420 HydrophobicContact CE2-CG1 4.49Å; Y353-Y435 HydrophobicContact CD1-CE1 4.47Å; Y353-Y435 HydrophobicContact CE1-CE1 4.39Å; Y353-Y435 WeakPolarHBondContact CE1-OH 3.5Å
354	A	97.2	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-31.6	175.3	0	0	0	0	0	113.5	L293 R300 Y303 L304 E350 K351 T357	L293-A354 HydrophobicContact CD1-CB 3.78Å; L293-A354 HydrophobicContact CD2-CB 3.88Å; R300-A354 WeakPolarHBondContact CG-O 3.37Å; R300-A354 PolarHBondContact NE-O 3.2Å; Y303-A354 HydrophobicContact CD1-CB 4.46Å; Y303-A354 HydrophobicContact CD2-CB 3.88Å; Y303-A354 HydrophobicContact CG-CB 3.73Å; L304-A354 HydrophobicContact CD2-CB 4.49Å; E350-A354 WeakPolarHBondContact O-CB 3.01Å; E350-A354 PolarHBondContact O-N 3.15Å; K351-A354 PolarHBondContact O-N 3.34Å; A354-T357 PolarHBondContact O-N 3.32Å
355	A	96.9	Very high	94.9	Very high	51 Å²	51	37.3 Å²	37.3	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-38.4	177.7	0	0	0	0	0	112.5	R300 L304 K351 T352 Y353	R300-A355 PolarHBondContact NH2-O 2.82Å; L304-A355 HydrophobicContact CD2-CB 3.97Å; K351-A355 PolarHBondContact O-N 3.12Å; T352-A355 PolarHBondContact O-N 2.89Å; Y353-A355 VanDerWaalsContact C-N 3.28Å; Y353-A355 PolarHBondContact O-N 2.75Å
356	I	96.6	Very high	94.7	Very high	39 Å²	39	33.1 Å²	33.1	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-82.5	-18	178.4	64.9	163	0	0	0	114.1	T352 Y353 H419 I420 L423	T352-I356 PolarHBondContact O-N 3.35Å; Y353-I356 HydrophobicContact CD2-CG1 4.45Å; Y353-I356 WeakPolarHBondContact O-CG1 3.2Å; Y353-I356 PolarHBondContact O-N 3.06Å; I356-H419 HydrophobicContact CB-CB 3.93Å; I356-H419 HydrophobicContact CD1-CB 3.88Å; I356-H419 HydrophobicContact CG1-CB 4.5Å; I356-H419 HydrophobicContact CG2-CB 4.06Å; I356-I420 HydrophobicContact CD1-CB 4.05Å; I356-I420 HydrophobicContact CD1-CD1 4.11Å; I356-L423 HydrophobicContact CD1-CB 4.25Å; I356-L423 HydrophobicContact CD1-CD2 3.74Å; I356-L423 HydrophobicContact CG1-CD2 4.4Å
357	T	95	Very high	94.4	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	20%	0.2	C	C	.	.	S	Bend	trans	-63.1	131	171	-60.3	0	0	0	0	110.4	R300 Y353 A354	R300-T357 WeakPolarHBondContact CD-O 3.4Å; R300-T357 PolarHBondContact NE-O 2.89Å; Y353-T357 PolarHBondContact O-N 3.42Å; Y353-T357 PolarHBondContact O-OG1 2.93Å; Y353-T357 VanDerWaalsContact O-OG1 3.09Å; A354-T357 PolarHBondContact O-N 3.32Å
358	S	93.7	Very high	94.3	Very high	29 Å²	29	40.9 Å²	40.9	20%	0.203	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-74.2	135.4	179.1	-63.4	0	0	0	0	111.1	Q290 D413	Q290-S358 PolarHBondContact NE2-O 3.35Å; S358-D413 VanDerWaalsContact CB-OD2 3.24Å; S358-D413 WeakPolarHBondContact CB-OD2 3.45Å; S358-D413 PolarHBondContact OG-OD2 2.8Å
359	P	92.8	Very high	94.1	Very high	21 Å²	21	37.5 Å²	37.5	14%	0.136	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-74.5	142.5	-178	31.2	-35.3	0	0	0	112	D361 Q362	P359-D361 VanDerWaalsContact C-N 3.31Å; P359-D361 PolarHBondContact O-N 2.97Å; P359-Q362 HydrophobicContact CG-CB 4.22Å; P359-Q362 HydrophobicContact CG-CG 3.95Å; P359-Q362 PolarHBondContact O-N 2.85Å
360	D	87.8	Confident	93.9	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.144	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.5	-28.2	-167.2	-61.7	-41.5	0	0	0	113.9	S298 Q362 R363 L725	S298-D360 VanDerWaalsContact CA-OD2 3.32Å; S298-D360 WeakPolarHBondContact CA-OD2 3.3Å; S298-D360 WeakPolarHBondContact CB-OD2 3.48Å; S298-D360 PolarHBondContact OG-OD2 3.29Å; D360-Q362 PolarHBondContact O-N 2.83Å; D360-R363 PolarHBondContact O-N 3.34Å; D360-L725 HydrophobicContact CB-CD1 4.21Å
361	D	90	Very high	93.9	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-69.3	-14.5	175.3	72.8	-11.9	0	0	0	113.6	P359 N722 R724 L725	P359-D361 VanDerWaalsContact C-N 3.31Å; P359-D361 PolarHBondContact O-N 2.97Å; D361-N722 PolarHBondContact OD2-ND2 2.72Å; D361-R724 HydrophobicContact CB-CB 4.46Å; D361-R724 HydrophobicContact CB-CG 4.14Å; D361-R724 PolarHBondContact O-NE 3.07Å; D361-R724 PolarHBondContact O-NH2 3.46Å; D361-L725 HydrophobicContact CB-CB 4.08Å
362	Q	90.6	Very high	94	Very high	123 Å²	123	45.3 Å²	45.3	58%	0.575	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-92.7	-15.3	170.6	-62.8	177.2	30.8	0	0	112.6	P359 D360 R364	P359-Q362 HydrophobicContact CG-CB 4.22Å; P359-Q362 HydrophobicContact CG-CG 3.95Å; P359-Q362 PolarHBondContact O-N 2.85Å; D360-Q362 PolarHBondContact O-N 2.83Å; Q362-R364 VanDerWaalsContact C-N 3.34Å; Q362-R364 PolarHBondContact O-N 3.47Å
363	R	90.9	Very high	94	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.026	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.5	-176.8	-60.8	-176.8	69.6	72	4.1	114.6	H289 D360 L369 T412 D413	H289-R363 PolarHBondContact CD2-NH2 3.07Å; H289-R363 PolarHBondContact NE2-NH2 3.1Å; D360-R363 PolarHBondContact O-N 3.34Å; R363-L369 HydrophobicContact CB-CD1 4.47Å; R363-L369 HydrophobicContact CB-CD2 4.49Å; R363-L369 VanDerWaalsContact O-CD1 3.28Å; R363-L369 WeakPolarHBondContact O-CD1 3.37Å; R363-T412 PolarHBondContact NH2-OG1 3.41Å; R363-D413 IonicContact NH1-OD2 2.62Å; R363-D413 PolarHBondContact NH1-OD2 3.23Å
364	R	90.8	Very high	94	Very high	20 Å²	20	45.4 Å²	45.4	8%	0.075	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.8	-175.8	-57.1	-174.6	67.7	83	8	114.9	Q362 H366 D675 Q676 Q679 R724 L725	Q362-R364 VanDerWaalsContact C-N 3.34Å; Q362-R364 PolarHBondContact O-N 3.47Å; R364-H366 PolarHBondContact O-CD2 2.79Å; R364-H366 PolarHBondContact O-N 3.41Å; R364-D675 WeakPolarHBondContact CB-OD2 3.49Å; R364-D675 IonicContact CZ-OD1 3.55Å; R364-D675 IonicContact CZ-OD2 2.79Å; R364-D675 IonicContact NE-OD1 2.7Å; R364-D675 PolarHBondContact NE-OD1 2.86Å; R364-D675 IonicContact NE-OD2 2.64Å; R364-D675 PolarHBondContact NE-OD2 3.41Å; R364-D675 IonicContact NH2-OD1 3.56Å; R364-D675 PolarHBondContact NH2-OD1 2.79Å; R364-D675 IonicContact NH2-OD2 3.8Å; R364-Q676 HydrophobicContact CB-CG 4.08Å; R364-Q676 VanDerWaalsContact NH1-OE1 3.14Å; R364-Q679 PolarHBondContact O-NE2 3.24Å; R364-R724 WeakPolarHBondContact CD-O 3.43Å; R364-L725 PolarHBondContact NH1-O 2.95Å
365	N	92.1	Very high	94	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	24%	0.237	S	C	.	.			trans	-88.1	100.4	173.2	-173.7	-41	0	0	0	110.7	S367 L368 L369	N365-S367 VanDerWaalsContact C-N 3.31Å; N365-S367 PolarHBondContact O-N 2.7Å; N365-S367 WeakPolarHBondContact OD1-CA 3.37Å; N365-S367 WeakPolarHBondContact OD1-CB 3.08Å; N365-S367 PolarHBondContact OD1-N 2.64Å; N365-S367 VanDerWaalsContact OD1-N 3.09Å; N365-L368 HydrophobicContact CB-CB 4.33Å; N365-L368 HydrophobicContact CB-CD1 4.05Å; N365-L368 HydrophobicContact CB-CG 4.21Å; N365-L368 PolarHBondContact O-N 2.84Å; N365-L368 PolarHBondContact OD1-N 2.89Å; N365-L369 PolarHBondContact O-N 3.38Å
366	H	92.7	Very high	94.1	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.088	23%	0.234	C	C	.	.	H	α-helix	trans	-74.2	-23.7	-175.4	-66.3	-167.3	0	0	0	112.2	R364 L368 L369 Y370 Q676 Y680 L686	R364-H366 PolarHBondContact O-CD2 2.79Å; R364-H366 PolarHBondContact O-N 3.41Å; H366-L368 VanDerWaalsContact C-N 3.27Å; H366-L368 PolarHBondContact O-N 3.36Å; H366-L369 CarbonylContact O-C 3.23Å; H366-L369 PolarHBondContact O-N 2.69Å; H366-Y370 PolarHBondContact O-N 3.4Å; H366-Q676 PolarHBondContact NE2-NE2 3.31Å; H366-Y680 HydrophobicContact CB-CE2 4.18Å; H366-Y680 AromaticContact ND1-CE2 3.47Å; H366-Y680 WeakPolarHBondContact ND1-CE2 3.42Å; H366-Y680 AromaticContact ND1-CZ 3.57Å; H366-Y680 PolarHBondContact ND1-OH 3.45Å; H366-L686 HydrophobicContact CB-CD1 3.72Å; H366-L686 HydrophobicContact CB-CD2 4.47Å
367	S	92.6	Very high	94.2	Very high	60 Å²	60	48.5 Å²	48.5	42%	0.42	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-28.7	169.8	-71.6	0	0	0	0	113.3	N365	N365-S367 VanDerWaalsContact C-N 3.31Å; N365-S367 PolarHBondContact O-N 2.7Å; N365-S367 WeakPolarHBondContact OD1-CA 3.37Å; N365-S367 WeakPolarHBondContact OD1-CB 3.08Å; N365-S367 PolarHBondContact OD1-N 2.64Å; N365-S367 VanDerWaalsContact OD1-N 3.09Å
368	L	93.7	Very high	94.3	Very high	124 Å²	124	48 Å²	48	65%	0.649	24%	0.235	S	C	*	.	H	α-helix	trans	-82.5	-27.5	171	-64.8	178.4	0	0	0	112.9	N365 H366 Y370 N371	N365-L368 HydrophobicContact CB-CB 4.33Å; N365-L368 HydrophobicContact CB-CD1 4.05Å; N365-L368 HydrophobicContact CB-CG 4.21Å; N365-L368 PolarHBondContact O-N 2.84Å; N365-L368 PolarHBondContact OD1-N 2.89Å; H366-L368 VanDerWaalsContact C-N 3.27Å; H366-L368 PolarHBondContact O-N 3.36Å; L368-Y370 VanDerWaalsContact C-N 3.33Å; L368-N371 PolarHBondContact O-ND2 3.27Å
369	L	93.3	Very high	94.5	Very high	31 Å²	31	48.6 Å²	48.6	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-76	-17.7	171.1	-58.5	-172.7	0	0	0	112.9	R363 N365 H366 N371 T412	R363-L369 HydrophobicContact CB-CD1 4.47Å; R363-L369 HydrophobicContact CB-CD2 4.49Å; R363-L369 VanDerWaalsContact O-CD1 3.28Å; R363-L369 WeakPolarHBondContact O-CD1 3.37Å; N365-L369 PolarHBondContact O-N 3.38Å; H366-L369 CarbonylContact O-C 3.23Å; H366-L369 PolarHBondContact O-N 2.69Å; L369-N371 PolarHBondContact O-N 2.99Å; L369-N371 PolarHBondContact O-ND2 2.87Å; L369-T412 WeakPolarHBondContact CD2-O 3.2Å; L369-T412 VanDerWaalsContact O-CA 3.29Å; L369-T412 WeakPolarHBondContact O-CA 2.84Å
370	Y	95.8	Very high	94.8	Very high	28 Å²	28	53.8 Å²	53.8	11%	0.11	26%	0.257	C	S	.	.			trans	-83.4	82.5	179.3	-168.6	-87	0	0	0	111.9	D277 A278 K279 H366 L368 R372 I410 L686	D277-Y370 WeakPolarHBondContact OD1-CE2 3.48Å; D277-Y370 PolarHBondContact OD1-OH 3.47Å; A278-Y370 HydrophobicContact CB-CD2 4.04Å; A278-Y370 HydrophobicContact CB-CE2 4.26Å; K279-Y370 HydrophobicContact CB-CE1 4.3Å; K279-Y370 HydrophobicContact CB-CE2 4.18Å; K279-Y370 HydrophobicContact CD-CD1 3.59Å; K279-Y370 HydrophobicContact CD-CE1 3.51Å; K279-Y370 HydrophobicContact CD-CE2 4.46Å; K279-Y370 HydrophobicContact CD-CG 4.15Å; K279-Y370 HydrophobicContact CG-CD1 4.02Å; K279-Y370 HydrophobicContact CG-CD2 4.09Å; K279-Y370 HydrophobicContact CG-CE1 3.83Å; K279-Y370 HydrophobicContact CG-CE2 3.88Å; K279-Y370 HydrophobicContact CG-CG 4.17Å; H366-Y370 PolarHBondContact O-N 3.4Å; L368-Y370 VanDerWaalsContact C-N 3.33Å; Y370-R372 HydrophobicContact CE1-CB 4.22Å; Y370-I410 HydrophobicContact CD2-CD1 4.08Å; Y370-I410 HydrophobicContact CD2-CG1 4.48Å; Y370-I410 HydrophobicContact CD2-CG2 4.41Å; Y370-I410 HydrophobicContact CE1-CD1 4.17Å; Y370-I410 HydrophobicContact CE2-CD1 3.43Å; Y370-I410 VanDerWaalsContact CE2-CD1 3.43Å; Y370-I410 HydrophobicContact CE2-CG1 4.02Å; Y370-I410 VanDerWaalsContact CZ-CD1 3.47Å; Y370-L686 HydrophobicContact CD2-CD2 4.29Å; Y370-L686 HydrophobicContact CG-CD2 4.15Å
371	N	97.5	Very high	95.2	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.6	173.3	-47.7	-91.7	0	0	0	109.5	L368 L369 V411 P414	L368-N371 PolarHBondContact O-ND2 3.27Å; L369-N371 PolarHBondContact O-N 2.99Å; L369-N371 PolarHBondContact O-ND2 2.87Å; N371-V411 VanDerWaalsContact CB-O 3.25Å; N371-V411 WeakPolarHBondContact CB-O 3.32Å; N371-V411 PolarHBondContact ND2-O 2.9Å; N371-V411 PolarHBondContact O-N 3.47Å; N371-P414 HydrophobicContact CB-CG 3.78Å; N371-P414 WeakPolarHBondContact ND2-CD 3.39Å
372	R	97.7	Very high	95.6	Very high	149 Å²	149	55.2 Å²	55.2	56%	0.562	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.6	179.1	-177.6	-175.3	67	-159.6	-3.9	110.4	Y370 N408 L409 I410	Y370-R372 HydrophobicContact CE1-CB 4.22Å; R372-N408 VanDerWaalsContact CD-OD1 3.28Å; R372-N408 WeakPolarHBondContact CD-OD1 3.12Å; R372-N408 HydrophobicContact CG-CB 4.41Å; R372-L409 WeakPolarHBondContact CA-O 3.39Å; R372-I410 HydrophobicContact CB-CD1 3.89Å; R372-I410 HydrophobicContact CG-CD1 4.17Å
373	W	98.1	Very high	95.9	Very high	25 Å²	25	53.3 Å²	53.3	10%	0.095	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	165.6	175.3	-74.4	5.5	0	0	0	110.5	Q377 L378 E381 N408 L409 V411 P414 I417	W373-Q377 HydrophobicContact CB-CB 4.31Å; W373-Q377 HydrophobicContact CB-CG 4.44Å; W373-Q377 VanDerWaalsContact CD1-OE1 3.3Å; W373-Q377 HydrophobicContact CD2-CG 3.87Å; W373-Q377 HydrophobicContact CE3-CG 4.02Å; W373-Q377 HydrophobicContact CG-CB 4.48Å; W373-Q377 HydrophobicContact CG-CG 4.08Å; W373-L378 HydrophobicContact CE3-CB 4.17Å; W373-L378 HydrophobicContact CE3-CD1 4.16Å; W373-L378 HydrophobicContact CZ3-CD1 4.05Å; W373-E381 HydrophobicContact CH2-CB 3.55Å; W373-E381 HydrophobicContact CH2-CG 3.57Å; W373-E381 HydrophobicContact CZ2-CG 4.19Å; W373-E381 HydrophobicContact CZ3-CB 3.56Å; W373-E381 HydrophobicContact CZ3-CG 3.81Å; W373-N408 WeakPolarHBondContact O-CA 3.35Å; W373-L409 HydrophobicContact CB-CD1 4.1Å; W373-L409 PolarHBondContact N-O 3.3Å; W373-L409 PolarHBondContact O-N 2.93Å; W373-L409 VanDerWaalsContact O-O 3.14Å; W373-V411 HydrophobicContact CB-CG2 4.37Å; W373-V411 HydrophobicContact CD2-CB 4.17Å; W373-V411 HydrophobicContact CD2-CG2 3.66Å; W373-V411 HydrophobicContact CE3-CB 4.33Å; W373-V411 HydrophobicContact CE3-CG2 3.46Å; W373-V411 VanDerWaalsContact CE3-CG2 3.46Å; W373-V411 HydrophobicContact CG-CG2 4.07Å; W373-V411 HydrophobicContact CZ3-CG2 4Å; W373-P414 HydrophobicContact CH2-CB 4.48Å; W373-P414 HydrophobicContact CZ2-CB 3.83Å; W373-P414 HydrophobicContact CZ2-CG 4.19Å; W373-I417 HydrophobicContact CH2-CG2 4.2Å; W373-I417 HydrophobicContact CZ3-CG2 4.19Å
374	T	98.3	Very high	96.1	Very high	41 Å²	41	54 Å²	54	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	162.6	159.6	57.2	0	0	0	0	110.4	R376 Q377 L378 M407	T374-R376 VanDerWaalsContact C-N 3.26Å; T374-R376 PolarHBondContact O-N 3.01Å; T374-Q377 PolarHBondContact O-N 3.49Å; T374-Q377 PolarHBondContact OG1-N 3.07Å; T374-L378 PolarHBondContact O-N 3.34Å; T374-L378 VanDerWaalsContact O-N 3.1Å; T374-M407 CarbonylContact C-O 3.37Å; T374-M407 VanDerWaalsContact CA-O 3.3Å; T374-M407 WeakPolarHBondContact CA-O 3.49Å
375	L	97.8	Very high	96.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-35.6	171.9	175.8	54.6	0	0	0	111.8	Q377 L378 K379 W387 F391 I403 D404 D405 M407 L409	L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 PolarHBondContact O-N 3.12Å; L375-L378 HydrophobicContact CD1-CB 4.42Å; L375-L378 HydrophobicContact CD1-CD2 4.26Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-L378 VanDerWaalsContact O-N 3.16Å; L375-K379 HydrophobicContact CD1-CG 4.25Å; L375-K379 HydrophobicContact CG-CD 4.35Å; L375-K379 WeakPolarHBondContact O-CG 3.42Å; L375-K379 PolarHBondContact O-N 2.94Å; L375-W387 HydrophobicContact CD1-CB 4.09Å; L375-W387 HydrophobicContact CD1-CG 4.48Å; L375-F391 HydrophobicContact CD1-CE2 3.62Å; L375-F391 HydrophobicContact CD1-CZ 4.3Å; L375-F391 HydrophobicContact CD2-CD2 4.3Å; L375-F391 HydrophobicContact CD2-CE2 3.88Å; L375-F391 HydrophobicContact CG-CE2 4.45Å; L375-I403 HydrophobicContact CD2-CG2 3.76Å; L375-D404 WeakPolarHBondContact CB-O 3.44Å; L375-D404 WeakPolarHBondContact CD2-O 3.33Å; L375-D405 PolarHBondContact N-O 3.14Å; L375-M407 PolarHBondContact N-O 3.18Å; L375-L409 HydrophobicContact CB-CD2 4.3Å; L375-L409 HydrophobicContact CD1-CD2 4.33Å
376	R	98.3	Very high	96.6	Very high	91 Å²	91	55.8 Å²	55.8	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-51.9	-50.7	170.9	-169.5	-176.3	-52.9	-67.4	-1.6	111.6	T374 L378 K379 E380 D405 D406	T374-R376 VanDerWaalsContact C-N 3.26Å; T374-R376 PolarHBondContact O-N 3.01Å; R376-L378 PolarHBondContact O-N 2.81Å; R376-K379 WeakPolarHBondContact O-CB 3.5Å; R376-K379 PolarHBondContact O-N 3.32Å; R376-E380 WeakPolarHBondContact O-CG 3.46Å; R376-E380 PolarHBondContact O-N 2.79Å; R376-D405 HydrophobicContact CB-CB 4.16Å; R376-D405 WeakPolarHBondContact CB-O 3.36Å; R376-D405 VanDerWaalsContact CZ-CB 3.48Å; R376-D405 IonicContact CZ-OD2 2.69Å; R376-D405 PolarHBondContact N-O 3.41Å; R376-D405 IonicContact NH1-OD2 3.81Å; R376-D405 PolarHBondContact NH1-OD2 2.94Å; R376-D405 IonicContact NH2-OD2 3.14Å; R376-D406 IonicContact CZ-OD1 2.66Å; R376-D406 IonicContact NE-OD1 3.54Å; R376-D406 PolarHBondContact NE-OD1 3.05Å; R376-D406 IonicContact NH2-OD1 2.88Å; R376-D406 PolarHBondContact NH2-OD1 3.31Å; R376-D406 IonicContact NH2-OD2 3.72Å; R376-D406 PolarHBondContact NH2-OD2 3.1Å
377	Q	98.4	Very high	96.8	Very high	63 Å²	63	55 Å²	55	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-39.9	177.9	-175.7	174.6	9.8	0	0	112.1	W373 T374 L375 K379 E380 E381	W373-Q377 HydrophobicContact CB-CB 4.31Å; W373-Q377 HydrophobicContact CB-CG 4.44Å; W373-Q377 VanDerWaalsContact CD1-OE1 3.3Å; W373-Q377 HydrophobicContact CD2-CG 3.87Å; W373-Q377 HydrophobicContact CE3-CG 4.02Å; W373-Q377 HydrophobicContact CG-CB 4.48Å; W373-Q377 HydrophobicContact CG-CG 4.08Å; T374-Q377 PolarHBondContact O-N 3.49Å; T374-Q377 PolarHBondContact OG1-N 3.07Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 PolarHBondContact O-N 3.12Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.81Å; Q377-E380 PolarHBondContact O-N 3.1Å; Q377-E381 HydrophobicContact CG-CG 4.05Å; Q377-E381 WeakPolarHBondContact O-CB 3.28Å; Q377-E381 VanDerWaalsContact O-CG 3.28Å; Q377-E381 WeakPolarHBondContact O-CG 3.27Å; Q377-E381 PolarHBondContact O-N 2.77Å
378	L	98.2	Very high	97	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-35.9	176	-178.5	63.4	0	0	0	112.6	I288 W373 T374 L375 R376 M382 W387 L409 V411	I288-L378 HydrophobicContact CD1-CD2 4.3Å; I288-L378 HydrophobicContact CG1-CD2 3.97Å; I288-L378 HydrophobicContact CG2-CD1 4.42Å; W373-L378 HydrophobicContact CE3-CB 4.17Å; W373-L378 HydrophobicContact CE3-CD1 4.16Å; W373-L378 HydrophobicContact CZ3-CD1 4.05Å; T374-L378 PolarHBondContact O-N 3.34Å; T374-L378 VanDerWaalsContact O-N 3.1Å; L375-L378 HydrophobicContact CD1-CB 4.42Å; L375-L378 HydrophobicContact CD1-CD2 4.26Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-L378 VanDerWaalsContact O-N 3.16Å; R376-L378 PolarHBondContact O-N 2.81Å; L378-M382 HydrophobicContact CD1-CB 4.44Å; L378-M382 PolarHBondContact O-N 2.88Å; L378-W387 HydrophobicContact CD1-CH2 4.35Å; L378-W387 HydrophobicContact CD1-CZ2 3.85Å; L378-W387 HydrophobicContact CD2-CD2 3.89Å; L378-W387 HydrophobicContact CD2-CE3 3.89Å; L378-W387 HydrophobicContact CD2-CH2 3.97Å; L378-W387 HydrophobicContact CD2-CZ2 3.97Å; L378-W387 HydrophobicContact CD2-CZ3 3.93Å; L378-W387 HydrophobicContact CG-CD2 4.06Å; L378-W387 HydrophobicContact CG-CH2 4.35Å; L378-W387 HydrophobicContact CG-CZ2 3.85Å; L378-W387 PolarHBondContact O-NE1 3.25Å; L378-L409 HydrophobicContact CB-CD2 4.34Å; L378-L409 HydrophobicContact CD2-CD1 4.18Å; L378-L409 HydrophobicContact CD2-CD2 3.63Å; L378-V411 HydrophobicContact CD1-CG2 4.36Å
379	K	97.6	Very high	97	Very high	41 Å²	41	54.2 Å²	54.2	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-38.7	173.8	-70.9	169.3	178.2	-174.9	0	112.6	L375 R376 Q377 T383 W387 D388 D405	L375-K379 HydrophobicContact CD1-CG 4.25Å; L375-K379 HydrophobicContact CG-CD 4.35Å; L375-K379 WeakPolarHBondContact O-CG 3.42Å; L375-K379 PolarHBondContact O-N 2.94Å; R376-K379 WeakPolarHBondContact O-CB 3.5Å; R376-K379 PolarHBondContact O-N 3.32Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.81Å; K379-T383 WeakPolarHBondContact O-CG2 3.25Å; K379-W387 HydrophobicContact CG-CB 3.94Å; K379-W387 HydrophobicContact CG-CG 4.2Å; K379-D388 VanDerWaalsContact CE-OD1 3.32Å; K379-D388 WeakPolarHBondContact CE-OD1 3.46Å; K379-D388 WeakPolarHBondContact CE-OD2 3.49Å; K379-D388 IonicContact NZ-OD1 2.87Å; K379-D388 PolarHBondContact NZ-OD1 2.94Å; K379-D388 IonicContact NZ-OD2 3.02Å; K379-D388 PolarHBondContact NZ-OD2 3.35Å; K379-D405 IonicContact NZ-OD1 2.7Å; K379-D405 PolarHBondContact NZ-OD1 2.63Å
380	E	97.8	Very high	97.2	Very high	130 Å²	130	53.3 Å²	53.3	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-72.4	-41.4	179.5	-71.1	165.5	178.4	0	0	112.1	R376 Q377	R376-E380 WeakPolarHBondContact O-CG 3.46Å; R376-E380 PolarHBondContact O-N 2.79Å; Q377-E380 PolarHBondContact O-N 3.1Å
381	E	97.7	Very high	97.2	Very high	87 Å²	87	52 Å²	52	41%	0.407	24%	0.241	S	C	.	.	H	α-helix	trans	-83.3	-29.5	-177.5	-64.9	-81.7	-164.8	0	0	113.2	W373 Q377 N421	W373-E381 HydrophobicContact CH2-CB 3.55Å; W373-E381 HydrophobicContact CH2-CG 3.57Å; W373-E381 HydrophobicContact CZ2-CG 4.19Å; W373-E381 HydrophobicContact CZ3-CB 3.56Å; W373-E381 HydrophobicContact CZ3-CG 3.81Å; Q377-E381 HydrophobicContact CG-CG 4.05Å; Q377-E381 WeakPolarHBondContact O-CB 3.28Å; Q377-E381 VanDerWaalsContact O-CG 3.28Å; Q377-E381 WeakPolarHBondContact O-CG 3.27Å; Q377-E381 PolarHBondContact O-N 2.77Å; E381-N421 PolarHBondContact O-ND2 3.42Å
382	M	97.4	Very high	97.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.253	C	S	.	.			trans	-123	65.9	178.4	-166.1	163.7	-174.5	0	0	113.3	V270 L378 A384 I385 W387 I417 I420 N421 L424	V270-M382 HydrophobicContact CG2-CE 3.79Å; V270-M382 HydrophobicContact CG2-SD 3.76Å; L378-M382 HydrophobicContact CD1-CB 4.44Å; L378-M382 PolarHBondContact O-N 2.88Å; M382-A384 VanDerWaalsContact C-N 3.26Å; M382-A384 PolarHBondContact O-N 3.49Å; M382-I385 HydrophobicContact CE-CD1 3.68Å; M382-I385 HydrophobicContact CE-CG1 4.13Å; M382-I385 PolarHBondContact O-N 3.33Å; M382-I385 HydrophobicContact SD-CD1 4.36Å; M382-W387 HydrophobicContact CB-CZ2 4.12Å; M382-W387 HydrophobicContact CG-CZ2 4.08Å; M382-W387 PolarHBondContact O-NE1 2.93Å; M382-W387 HydrophobicContact SD-CZ2 3.83Å; M382-I417 HydrophobicContact CB-CG2 3.94Å; M382-I417 HydrophobicContact SD-CD1 4.06Å; M382-I417 HydrophobicContact SD-CG2 4.21Å; M382-I420 HydrophobicContact CE-CG2 3.81Å; M382-I420 HydrophobicContact SD-CG2 4.24Å; M382-N421 HydrophobicContact CB-CB 4.45Å; M382-N421 HydrophobicContact CG-CB 4.06Å; M382-L424 HydrophobicContact CE-CD1 3.75Å
383	T	97.2	Very high	96.9	Very high	83 Å²	83	48.5 Å²	48.5	51%	0.509	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.2	179	50	0	0	0	0	115.6	K379 I385 N421	K379-T383 WeakPolarHBondContact O-CG2 3.25Å; T383-I385 PolarHBondContact O-N 3.12Å; T383-N421 PolarHBondContact N-ND2 2.91Å; T383-N421 PolarHBondContact N-OD1 3.28Å; T383-N421 PolarHBondContact OG1-ND2 3.47Å
384	A	96	Very high	96.7	Very high	21 Å²	21	47.3 Å²	47.3	17%	0.174	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.5	176.4	0	0	0	0	0	114.4	M382 N421 L424 L425	M382-A384 VanDerWaalsContact C-N 3.26Å; M382-A384 PolarHBondContact O-N 3.49Å; A384-N421 WeakPolarHBondContact CB-OD1 3.37Å; A384-N421 PolarHBondContact N-OD1 2.94Å; A384-L424 HydrophobicContact CB-CB 3.76Å; A384-L424 HydrophobicContact CB-CD1 4.15Å; A384-L425 HydrophobicContact CB-CD2 4.18Å; A384-L425 HydrophobicContact CB-CG 4.2Å
385	I	96.3	Very high	96.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	22%	0.217	C	C	.	.	S	Bend	trans	-119.1	126.5	177.7	-65.4	-180	0	0	0	108.5	T254 V270 M382 T383 W387 F390	T254-I385 HydrophobicContact CG2-CG2 4.16Å; V270-I385 HydrophobicContact CG2-CD1 4.43Å; M382-I385 HydrophobicContact CE-CD1 3.68Å; M382-I385 HydrophobicContact CE-CG1 4.13Å; M382-I385 PolarHBondContact O-N 3.33Å; M382-I385 HydrophobicContact SD-CD1 4.36Å; T383-I385 PolarHBondContact O-N 3.12Å; I385-W387 VanDerWaalsContact C-N 3.34Å; I385-W387 HydrophobicContact CB-CD2 4.48Å; I385-W387 HydrophobicContact CB-CZ2 4.2Å; I385-W387 HydrophobicContact CD1-CH2 4.35Å; I385-W387 HydrophobicContact CD1-CZ2 4.24Å; I385-W387 HydrophobicContact CG2-CD2 3.97Å; I385-W387 HydrophobicContact CG2-CE3 4.25Å; I385-W387 HydrophobicContact CG2-CG 4.35Å; I385-W387 HydrophobicContact CG2-CZ2 4.27Å; I385-W387 PolarHBondContact O-N 3.31Å; I385-W387 PolarHBondContact O-NE1 2.79Å; I385-F390 HydrophobicContact CG2-CB 4.01Å; I385-F390 HydrophobicContact CG2-CG 4.28Å
386	K	96.6	Very high	96.3	Very high	123 Å²	123	46.3 Å²	46.3	54%	0.535	22%	0.219	S	C	.	.			trans	-79.6	82.5	174	-59.1	173.6	-176.1	173.7	0	109.6	D252 T254 D388 R389 F390	D252-K386 WeakPolarHBondContact OD2-CE 3.03Å; D252-K386 IonicContact OD2-NZ 2.65Å; D252-K386 PolarHBondContact OD2-NZ 3.48Å; T254-K386 HydrophobicContact CG2-CB 3.95Å; T254-K386 WeakPolarHBondContact CG2-O 3.46Å; T254-K386 PolarHBondContact OG1-N 2.97Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 3.33Å; K386-D388 VanDerWaalsContact O-N 3.13Å; K386-R389 HydrophobicContact CB-CB 4.31Å; K386-R389 PolarHBondContact O-N 2.92Å; K386-F390 PolarHBondContact O-N 3.49Å
387	W	96.8	Very high	96.1	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-51	-41.1	-166.7	-69.2	94	0	0	0	115.4	V270 I288 L375 L378 K379 M382 I385 R389 F390 F391	V270-W387 HydrophobicContact CG1-CH2 4.3Å; I288-W387 HydrophobicContact CD1-CH2 4.23Å; I288-W387 HydrophobicContact CD1-CZ3 4.01Å; L375-W387 HydrophobicContact CD1-CB 4.09Å; L375-W387 HydrophobicContact CD1-CG 4.48Å; L378-W387 HydrophobicContact CD1-CH2 4.35Å; L378-W387 HydrophobicContact CD1-CZ2 3.85Å; L378-W387 HydrophobicContact CD2-CD2 3.89Å; L378-W387 HydrophobicContact CD2-CE3 3.89Å; L378-W387 HydrophobicContact CD2-CH2 3.97Å; L378-W387 HydrophobicContact CD2-CZ2 3.97Å; L378-W387 HydrophobicContact CD2-CZ3 3.93Å; L378-W387 HydrophobicContact CG-CD2 4.06Å; L378-W387 HydrophobicContact CG-CH2 4.35Å; L378-W387 HydrophobicContact CG-CZ2 3.85Å; L378-W387 PolarHBondContact O-NE1 3.25Å; K379-W387 HydrophobicContact CG-CB 3.94Å; K379-W387 HydrophobicContact CG-CG 4.2Å; M382-W387 HydrophobicContact CB-CZ2 4.12Å; M382-W387 HydrophobicContact CG-CZ2 4.08Å; M382-W387 PolarHBondContact O-NE1 2.93Å; M382-W387 HydrophobicContact SD-CZ2 3.83Å; I385-W387 VanDerWaalsContact C-N 3.34Å; I385-W387 HydrophobicContact CB-CD2 4.48Å; I385-W387 HydrophobicContact CB-CZ2 4.2Å; I385-W387 HydrophobicContact CD1-CH2 4.35Å; I385-W387 HydrophobicContact CD1-CZ2 4.24Å; I385-W387 HydrophobicContact CG2-CD2 3.97Å; I385-W387 HydrophobicContact CG2-CE3 4.25Å; I385-W387 HydrophobicContact CG2-CG 4.35Å; I385-W387 HydrophobicContact CG2-CZ2 4.27Å; I385-W387 PolarHBondContact O-N 3.31Å; I385-W387 PolarHBondContact O-NE1 2.79Å; W387-R389 PolarHBondContact O-N 2.66Å; W387-F390 AromaticContact CE3-CD1 3.99Å; W387-F390 HydrophobicContact CE3-CD1 3.99Å; W387-F390 HydrophobicContact CZ3-CD1 4.04Å; W387-F390 HydrophobicContact CZ3-CE1 4.19Å; W387-F390 WeakPolarHBondContact O-CA 3.05Å; W387-F390 WeakPolarHBondContact O-CB 2.83Å; W387-F390 PolarHBondContact O-N 3.46Å; W387-F390 VanDerWaalsContact O-N 3.1Å; W387-F391 HydrophobicContact CB-CD2 4.45Å; W387-F391 HydrophobicContact CB-CE2 4.09Å; W387-F391 HydrophobicContact CE3-CE2 4.16Å; W387-F391 HydrophobicContact CE3-CZ 4.09Å; W387-F391 WeakPolarHBondContact O-CD2 3.39Å; W387-F391 PolarHBondContact O-N 3.08Å
388	D	95.6	Very high	95.8	Very high	78 Å²	78	54 Å²	54	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-49.7	176.1	-58.1	-68.1	0	0	0	111.9	K379 K386 F390 F391 E392	K379-D388 VanDerWaalsContact CE-OD1 3.32Å; K379-D388 WeakPolarHBondContact CE-OD1 3.46Å; K379-D388 WeakPolarHBondContact CE-OD2 3.49Å; K379-D388 IonicContact NZ-OD1 2.87Å; K379-D388 PolarHBondContact NZ-OD1 2.94Å; K379-D388 IonicContact NZ-OD2 3.02Å; K379-D388 PolarHBondContact NZ-OD2 3.35Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 3.33Å; K386-D388 VanDerWaalsContact O-N 3.13Å; D388-F390 VanDerWaalsContact C-N 3.29Å; D388-F390 PolarHBondContact O-N 2.91Å; D388-F391 PolarHBondContact O-N 2.57Å; D388-E392 WeakPolarHBondContact O-CG 3.37Å; D388-E392 PolarHBondContact O-N 3.39Å
389	R	95.6	Very high	95.7	Very high	89 Å²	89	54 Å²	54	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-29.9	177.2	-178.3	55.4	-176.1	170.6	4.7	112.4	T254 E255 K386 W387 E392 L393	T254-R389 HydrophobicContact CG2-CB 4.34Å; T254-R389 HydrophobicContact CG2-CG 4.49Å; E255-R389 IonicContact OE1-NH2 3.23Å; E255-R389 PolarHBondContact OE1-NH2 3.31Å; E255-R389 VanDerWaalsContact OE1-NH2 3.13Å; E255-R389 IonicContact OE2-CZ 3.63Å; E255-R389 VanDerWaalsContact OE2-CZ 3.23Å; E255-R389 IonicContact OE2-NE 2.71Å; E255-R389 PolarHBondContact OE2-NE 3.11Å; E255-R389 IonicContact OE2-NH2 3.78Å; E255-R389 PolarHBondContact OE2-NH2 3.46Å; K386-R389 HydrophobicContact CB-CB 4.31Å; K386-R389 PolarHBondContact O-N 2.92Å; W387-R389 PolarHBondContact O-N 2.66Å; R389-E392 WeakPolarHBondContact CD-OE2 3.24Å; R389-E392 IonicContact CZ-OE2 3.86Å; R389-E392 IonicContact NE-OE2 3.59Å; R389-E392 IonicContact NH1-OE2 2.72Å; R389-E392 PolarHBondContact NH1-OE2 3.49Å; R389-L393 HydrophobicContact CG-CD1 4.39Å; R389-L393 WeakPolarHBondContact O-CD1 3.42Å; R389-L393 VanDerWaalsContact O-CG 3.29Å; R389-L393 WeakPolarHBondContact O-CG 3.39Å; R389-L393 PolarHBondContact O-N 3.05Å
390	F	96.5	Very high	95.6	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-43.4	172.3	178.4	-104.1	0	0	0	111.4	T254 I257 R261 M272 I385 K386 W387 D388 L393 V394	T254-F390 HydrophobicContact CG2-CB 3.86Å; I257-F390 HydrophobicContact CG2-CD2 4.23Å; I257-F390 HydrophobicContact CG2-CE2 3.76Å; R261-F390 HydrophobicContact CB-CE2 4.32Å; R261-F390 HydrophobicContact CB-CZ 4.33Å; R261-F390 HydrophobicContact CG-CZ 4.34Å; M272-F390 HydrophobicContact CE-CE1 3.98Å; M272-F390 HydrophobicContact SD-CE1 3.75Å; I385-F390 HydrophobicContact CG2-CB 4.01Å; I385-F390 HydrophobicContact CG2-CG 4.28Å; K386-F390 PolarHBondContact O-N 3.49Å; W387-F390 AromaticContact CE3-CD1 3.99Å; W387-F390 HydrophobicContact CE3-CD1 3.99Å; W387-F390 HydrophobicContact CZ3-CD1 4.04Å; W387-F390 HydrophobicContact CZ3-CE1 4.19Å; W387-F390 WeakPolarHBondContact O-CA 3.05Å; W387-F390 WeakPolarHBondContact O-CB 2.83Å; W387-F390 PolarHBondContact O-N 3.46Å; W387-F390 VanDerWaalsContact O-N 3.1Å; D388-F390 VanDerWaalsContact C-N 3.29Å; D388-F390 PolarHBondContact O-N 2.91Å; F390-L393 PolarHBondContact O-N 2.77Å; F390-V394 HydrophobicContact CD2-CG2 4.32Å; F390-V394 HydrophobicContact CE1-CG2 4.4Å; F390-V394 HydrophobicContact CE2-CG2 3.96Å; F390-V394 HydrophobicContact CZ-CG2 4.01Å; F390-V394 WeakPolarHBondContact O-CG2 3.1Å; F390-V394 PolarHBondContact O-N 2.8Å
391	F	96.2	Very high	95.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-43.2	176.6	-68.2	-59	0	0	0	112.4	M272 L286 L375 W387 D388 L393 V394 M395 M400 I403	M272-F391 HydrophobicContact CE-CE1 4.42Å; M272-F391 HydrophobicContact SD-CD1 4.36Å; M272-F391 HydrophobicContact SD-CE1 3.6Å; M272-F391 HydrophobicContact SD-CZ 4.45Å; L286-F391 HydrophobicContact CD2-CE1 3.7Å; L286-F391 HydrophobicContact CD2-CZ 3.81Å; L375-F391 HydrophobicContact CD1-CE2 3.62Å; L375-F391 HydrophobicContact CD1-CZ 4.3Å; L375-F391 HydrophobicContact CD2-CD2 4.3Å; L375-F391 HydrophobicContact CD2-CE2 3.88Å; L375-F391 HydrophobicContact CG-CE2 4.45Å; W387-F391 HydrophobicContact CB-CD2 4.45Å; W387-F391 HydrophobicContact CB-CE2 4.09Å; W387-F391 HydrophobicContact CE3-CE2 4.16Å; W387-F391 HydrophobicContact CE3-CZ 4.09Å; W387-F391 WeakPolarHBondContact O-CD2 3.39Å; W387-F391 PolarHBondContact O-N 3.08Å; D388-F391 PolarHBondContact O-N 2.57Å; F391-L393 PolarHBondContact O-N 3.29Å; F391-V394 PolarHBondContact O-N 3.45Å; F391-M395 HydrophobicContact CB-CG 4.07Å; F391-M395 HydrophobicContact CD1-CE 3.52Å; F391-M395 HydrophobicContact CD1-CG 3.88Å; F391-M395 HydrophobicContact CE1-CE 3.68Å; F391-M395 HydrophobicContact CG-CG 4.43Å; F391-M395 WeakPolarHBondContact O-CB 3.04Å; F391-M395 PolarHBondContact O-N 3.18Å; F391-M400 VanDerWaalsContact C-SD 3.58Å; F391-M400 HydrophobicContact CB-CE 4.15Å; F391-M400 HydrophobicContact CB-SD 3.7Å; F391-I403 HydrophobicContact CB-CG2 4.38Å; F391-I403 HydrophobicContact CD2-CG2 3.85Å; F391-I403 HydrophobicContact CE2-CG2 4.42Å; F391-I403 HydrophobicContact CG-CG2 4.16Å
392	E	95.1	Very high	95.2	Very high	110 Å²	110	56 Å²	56	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-51.9	-29.7	172.9	-74.2	177.8	-177.5	0	0	114	D388 R389 M400	D388-E392 WeakPolarHBondContact O-CG 3.37Å; D388-E392 PolarHBondContact O-N 3.39Å; R389-E392 WeakPolarHBondContact CD-OE2 3.24Å; R389-E392 IonicContact CZ-OE2 3.86Å; R389-E392 IonicContact NE-OE2 3.59Å; R389-E392 IonicContact NH1-OE2 2.72Å; R389-E392 PolarHBondContact NH1-OE2 3.49Å; E392-M400 HydrophobicContact CG-CE 4.11Å
393	L	94.1	Very high	95.1	Very high	17 Å²	17	57 Å²	57	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-90.4	-16.6	-178.2	-71.9	168.8	0	0	0	114.1	K259 R389 F390 F391	K259-L393 HydrophobicContact CG-CD2 4.19Å; R389-L393 HydrophobicContact CG-CD1 4.39Å; R389-L393 WeakPolarHBondContact O-CD1 3.42Å; R389-L393 VanDerWaalsContact O-CG 3.29Å; R389-L393 WeakPolarHBondContact O-CG 3.39Å; R389-L393 PolarHBondContact O-N 3.05Å; F390-L393 PolarHBondContact O-N 2.77Å; F391-L393 PolarHBondContact O-N 3.29Å
394	V	94.1	Very high	95	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-119.2	-34.1	-168.9	176.7	0	0	0	0	112.8	G258 R261 M272 F390 F391 N584 Q585	G258-V394 WeakPolarHBondContact O-CG2 3.47Å; R261-V394 HydrophobicContact CB-CG2 3.88Å; R261-V394 HydrophobicContact CG-CB 4.41Å; R261-V394 HydrophobicContact CG-CG1 3.62Å; R261-V394 HydrophobicContact CG-CG2 3.8Å; M272-V394 HydrophobicContact CE-CB 4.42Å; M272-V394 HydrophobicContact CE-CG1 3.55Å; F390-V394 HydrophobicContact CD2-CG2 4.32Å; F390-V394 HydrophobicContact CE1-CG2 4.4Å; F390-V394 HydrophobicContact CE2-CG2 3.96Å; F390-V394 HydrophobicContact CZ-CG2 4.01Å; F390-V394 WeakPolarHBondContact O-CG2 3.1Å; F390-V394 PolarHBondContact O-N 2.8Å; F391-V394 PolarHBondContact O-N 3.45Å; V394-N584 PolarHBondContact O-ND2 2.63Å; V394-Q585 PolarHBondContact O-NE2 2.89Å; V394-Q585 VanDerWaalsContact O-NE2 3.14Å
395	M	93.9	Very high	95.1	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.059	27%	0.273	C	S	.	.	S	Bend	trans	-86.5	149	-174.3	-65.5	-61.8	-174.7	0	0	112.5	M272 L286 F391 V399 M400 M588	M272-M395 HydrophobicContact CE-CE 3.84Å; M272-M395 HydrophobicContact SD-CE 4.24Å; L286-M395 HydrophobicContact CD1-CE 3.81Å; L286-M395 HydrophobicContact CD2-CE 4.41Å; F391-M395 HydrophobicContact CB-CG 4.07Å; F391-M395 HydrophobicContact CD1-CE 3.52Å; F391-M395 HydrophobicContact CD1-CG 3.88Å; F391-M395 HydrophobicContact CE1-CE 3.68Å; F391-M395 HydrophobicContact CG-CG 4.43Å; F391-M395 WeakPolarHBondContact O-CB 3.04Å; F391-M395 PolarHBondContact O-N 3.18Å; M395-V399 HydrophobicContact CB-CB 4.34Å; M395-V399 HydrophobicContact CB-CG1 4.38Å; M395-V399 HydrophobicContact CG-CG1 4.3Å; M395-V399 HydrophobicContact SD-CG1 3.78Å; M395-M400 HydrophobicContact CB-CG 4.04Å; M395-M400 HydrophobicContact CB-SD 3.75Å; M395-M400 HydrophobicContact CG-SD 4.14Å; M395-M588 HydrophobicContact CE-SD 3.75Å; M395-M588 HydrophobicContact SD-CB 3.72Å; M395-M588 HydrophobicContact SD-CG 3.56Å; M395-M588 VanDerWaalsContact SD-CG 3.56Å; M395-M588 HydrophobicContact SD-SD 3.58Å
396	P	93.6	Very high	95.1	Very high	8 Å²	8	63.1 Å²	63.1	5%	0.052	30%	0.297	C	S	.	.			trans	-59.7	153.2	160	-12.7	22.2	0	0	0	111.1	D398 V399 M400 Q585 M588 L589	P396-D398 VanDerWaalsContact C-N 3.29Å; P396-D398 PolarHBondContact O-N 2.87Å; P396-V399 HydrophobicContact CB-CB 4.46Å; P396-V399 HydrophobicContact CB-CG2 4.05Å; P396-V399 HydrophobicContact CG-CB 4.33Å; P396-V399 HydrophobicContact CG-CG2 3.69Å; P396-V399 PolarHBondContact O-N 2.88Å; P396-M400 PolarHBondContact O-N 2.66Å; P396-M400 VanDerWaalsContact O-N 3.11Å; P396-Q585 VanDerWaalsContact CA-OE1 3.32Å; P396-M588 VanDerWaalsContact CD-CB 3.49Å; P396-M588 HydrophobicContact CG-CB 4.05Å; P396-L589 HydrophobicContact CB-CD2 3.91Å; P396-L589 HydrophobicContact CB-CG 4.25Å; P396-L589 HydrophobicContact CG-CD2 3.83Å; P396-L589 HydrophobicContact CG-CG 3.7Å
397	R	92.5	Very high	95.1	Very high	219 Å²	219	58.4 Å²	58.4	83%	0.826	28%	0.277	S	S	*	.	H	α-helix	trans	-56.7	-45.3	174.7	-74.3	-172.9	173.8	-164.8	-2.5	111.9	V399 M400 E401	R397-V399 PolarHBondContact O-N 3.14Å; R397-V399 VanDerWaalsContact O-N 3.1Å; R397-M400 WeakPolarHBondContact O-CB 3.11Å; R397-M400 PolarHBondContact O-N 3.4Å; R397-E401 PolarHBondContact O-N 3.5Å
398	D	94	Very high	95.1	Very high	96 Å²	96	61.5 Å²	61.5	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-56.9	-26.2	178.9	-43.2	13.3	0	0	0	112.2	P396 L589 L592	P396-D398 VanDerWaalsContact C-N 3.29Å; P396-D398 PolarHBondContact O-N 2.87Å; D398-L589 HydrophobicContact CB-CD2 4.3Å; D398-L592 HydrophobicContact CB-CD1 3.96Å
399	V	95.7	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-87.8	-34.6	175.9	179.7	0	0	0	0	111.3	M395 P396 R397 E401 I402 I403 L589 L591 L592	M395-V399 HydrophobicContact CB-CB 4.34Å; M395-V399 HydrophobicContact CB-CG1 4.38Å; M395-V399 HydrophobicContact CG-CG1 4.3Å; M395-V399 HydrophobicContact SD-CG1 3.78Å; P396-V399 HydrophobicContact CB-CB 4.46Å; P396-V399 HydrophobicContact CB-CG2 4.05Å; P396-V399 HydrophobicContact CG-CB 4.33Å; P396-V399 HydrophobicContact CG-CG2 3.69Å; P396-V399 PolarHBondContact O-N 2.88Å; R397-V399 PolarHBondContact O-N 3.14Å; R397-V399 VanDerWaalsContact O-N 3.1Å; V399-E401 PolarHBondContact O-N 3.49Å; V399-E401 VanDerWaalsContact O-N 3.16Å; V399-I402 WeakPolarHBondContact O-CG1 3.49Å; V399-I402 PolarHBondContact O-N 2.74Å; V399-I403 HydrophobicContact CG1-CD1 4.27Å; V399-I403 WeakPolarHBondContact O-CG1 3.28Å; V399-L589 HydrophobicContact CG2-CD2 4.17Å; V399-L591 HydrophobicContact CG1-CD2 4.01Å; V399-L592 HydrophobicContact CG2-CD1 3.97Å; V399-L592 HydrophobicContact CG2-CG 4.09Å
400	M	95.4	Very high	95.3	Very high	58 Å²	58	54 Å²	54	29%	0.286	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-24.3	175.6	-69.9	-60.9	-59.1	0	0	113.1	F391 E392 M395 P396 R397 I402 I403	F391-M400 VanDerWaalsContact C-SD 3.58Å; F391-M400 HydrophobicContact CB-CE 4.15Å; F391-M400 HydrophobicContact CB-SD 3.7Å; E392-M400 HydrophobicContact CG-CE 4.11Å; M395-M400 HydrophobicContact CB-CG 4.04Å; M395-M400 HydrophobicContact CB-SD 3.75Å; M395-M400 HydrophobicContact CG-SD 4.14Å; P396-M400 PolarHBondContact O-N 2.66Å; P396-M400 VanDerWaalsContact O-N 3.11Å; R397-M400 WeakPolarHBondContact O-CB 3.11Å; R397-M400 PolarHBondContact O-N 3.4Å; M400-I402 PolarHBondContact O-N 2.86Å; M400-I403 HydrophobicContact CE-CB 4.46Å; M400-I403 PolarHBondContact O-N 2.87Å; M400-I403 HydrophobicContact SD-CB 4.48Å; M400-I403 HydrophobicContact SD-CG1 4.09Å
401	E	93.2	Very high	95.3	Very high	170 Å²	170	53.4 Å²	53.4	79%	0.794	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	174	-62.2	-172.4	-179	0	0	114	R397 V399	R397-E401 PolarHBondContact O-N 3.5Å; V399-E401 PolarHBondContact O-N 3.49Å; V399-E401 VanDerWaalsContact O-N 3.16Å
402	I	93.8	Very high	95.3	Very high	71 Å²	71	53.8 Å²	53.8	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	9.2	176.4	66.9	154.5	0	0	0	114	V399 M400 D404 L591 L592	V399-I402 WeakPolarHBondContact O-CG1 3.49Å; V399-I402 PolarHBondContact O-N 2.74Å; M400-I402 PolarHBondContact O-N 2.86Å; I402-D404 PolarHBondContact O-N 2.54Å; I402-L591 HydrophobicContact CD1-CD2 4Å; I402-L591 HydrophobicContact CD1-CG 3.99Å; I402-L592 HydrophobicContact CD1-CD2 3.73Å; I402-L592 HydrophobicContact CG1-CD2 3.95Å; I402-L592 HydrophobicContact CG2-CD2 4.23Å
403	I	95.3	Very high	95.3	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.118	24%	0.241	C	C	.	.			trans	-92.1	99.6	175.8	-56.1	-56.9	0	0	0	108.9	L375 F391 V399 M400 M407	L375-I403 HydrophobicContact CD2-CG2 3.76Å; F391-I403 HydrophobicContact CB-CG2 4.38Å; F391-I403 HydrophobicContact CD2-CG2 3.85Å; F391-I403 HydrophobicContact CE2-CG2 4.42Å; F391-I403 HydrophobicContact CG-CG2 4.16Å; V399-I403 HydrophobicContact CG1-CD1 4.27Å; V399-I403 WeakPolarHBondContact O-CG1 3.28Å; M400-I403 HydrophobicContact CE-CB 4.46Å; M400-I403 PolarHBondContact O-N 2.87Å; M400-I403 HydrophobicContact SD-CB 4.48Å; M400-I403 HydrophobicContact SD-CG1 4.09Å; I403-M407 HydrophobicContact CD1-CE 4.19Å; I403-M407 HydrophobicContact CD1-SD 3.55Å; I403-M407 VanDerWaalsContact CD1-SD 3.55Å
404	D	95.1	Very high	95.4	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	25%	0.248	S	C	.	.			trans	-126.8	170.4	171.6	70.6	52.7	0	0	0	111.7	L375 I402 D406 M407	L375-D404 WeakPolarHBondContact CB-O 3.44Å; L375-D404 WeakPolarHBondContact CD2-O 3.33Å; I402-D404 PolarHBondContact O-N 2.54Å; D404-D406 VanDerWaalsContact C-N 3.25Å; D404-D406 PolarHBondContact O-N 2.97Å; D404-D406 WeakPolarHBondContact OD1-CA 3.46Å; D404-D406 PolarHBondContact OD1-N 2.96Å; D404-M407 WeakPolarHBondContact O-CB 3.47Å; D404-M407 PolarHBondContact O-N 2.99Å; D404-M407 PolarHBondContact OD1-N 2.86Å
405	D	96.9	Very high	95.5	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.273	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.9	-179	-86.7	-12.7	0	0	0	114.2	L375 R376 K379	L375-D405 PolarHBondContact N-O 3.14Å; R376-D405 HydrophobicContact CB-CB 4.16Å; R376-D405 WeakPolarHBondContact CB-O 3.36Å; R376-D405 VanDerWaalsContact CZ-CB 3.48Å; R376-D405 IonicContact CZ-OD2 2.69Å; R376-D405 PolarHBondContact N-O 3.41Å; R376-D405 IonicContact NH1-OD2 3.81Å; R376-D405 PolarHBondContact NH1-OD2 2.94Å; R376-D405 IonicContact NH2-OD2 3.14Å; K379-D405 IonicContact NZ-OD1 2.7Å; K379-D405 PolarHBondContact NZ-OD1 2.63Å
406	D	97	Very high	95.7	Very high	96 Å²	96	54.2 Å²	54.2	51%	0.513	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.2	-173.5	-58.6	-36.2	0	0	0	111.9	R376 D404 N408	R376-D406 IonicContact CZ-OD1 2.66Å; R376-D406 IonicContact NE-OD1 3.54Å; R376-D406 PolarHBondContact NE-OD1 3.05Å; R376-D406 IonicContact NH2-OD1 2.88Å; R376-D406 PolarHBondContact NH2-OD1 3.31Å; R376-D406 IonicContact NH2-OD2 3.72Å; R376-D406 PolarHBondContact NH2-OD2 3.1Å; D404-D406 VanDerWaalsContact C-N 3.25Å; D404-D406 PolarHBondContact O-N 2.97Å; D404-D406 WeakPolarHBondContact OD1-CA 3.46Å; D404-D406 PolarHBondContact OD1-N 2.96Å; D406-N408 PolarHBondContact O-N 3.12Å; D406-N408 PolarHBondContact O-ND2 3.03Å
407	M	96.2	Very high	95.9	Very high	25 Å²	25	54 Å²	54	12%	0.123	27%	0.269	C	S	.	.			trans	-46	128.4	165.8	-175.2	-162.5	165.5	0	0	110.9	L286 T374 L375 I403 D404 L591	L286-M407 HydrophobicContact CB-CE 3.66Å; L286-M407 HydrophobicContact CD2-CE 4.06Å; L286-M407 HydrophobicContact CG-CE 4.48Å; T374-M407 CarbonylContact C-O 3.37Å; T374-M407 VanDerWaalsContact CA-O 3.3Å; T374-M407 WeakPolarHBondContact CA-O 3.49Å; L375-M407 PolarHBondContact N-O 3.18Å; I403-M407 HydrophobicContact CD1-CE 4.19Å; I403-M407 HydrophobicContact CD1-SD 3.55Å; I403-M407 VanDerWaalsContact CD1-SD 3.55Å; D404-M407 WeakPolarHBondContact O-CB 3.47Å; D404-M407 PolarHBondContact O-N 2.99Å; D404-M407 PolarHBondContact OD1-N 2.86Å; M407-L591 HydrophobicContact CE-CD2 3.8Å
408	N	97	Very high	96.1	Very high	68 Å²	68	45.7 Å²	45.7	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.9	178.7	-79	-125.9	0	0	0	111.1	R372 W373 D406	R372-N408 VanDerWaalsContact CD-OD1 3.28Å; R372-N408 WeakPolarHBondContact CD-OD1 3.12Å; R372-N408 HydrophobicContact CG-CB 4.41Å; W373-N408 WeakPolarHBondContact O-CA 3.35Å; D406-N408 PolarHBondContact O-N 3.12Å; D406-N408 PolarHBondContact O-ND2 3.03Å
409	L	97.7	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.9	177	60.7	83.9	0	0	0	110.8	L286 I288 R372 W373 L375 L378 V411	L286-L409 HydrophobicContact CB-CB 4.22Å; L286-L409 HydrophobicContact CD2-CD2 4.49Å; L286-L409 WeakPolarHBondContact O-CA 3.1Å; L286-L409 WeakPolarHBondContact O-CB 3.45Å; I288-L409 HydrophobicContact CG1-CD1 4.14Å; R372-L409 WeakPolarHBondContact CA-O 3.39Å; W373-L409 HydrophobicContact CB-CD1 4.1Å; W373-L409 PolarHBondContact N-O 3.3Å; W373-L409 PolarHBondContact O-N 2.93Å; W373-L409 VanDerWaalsContact O-O 3.14Å; L375-L409 HydrophobicContact CB-CD2 4.3Å; L375-L409 HydrophobicContact CD1-CD2 4.33Å; L378-L409 HydrophobicContact CB-CD2 4.34Å; L378-L409 HydrophobicContact CD2-CD1 4.18Å; L378-L409 HydrophobicContact CD2-CD2 3.63Å; L409-V411 HydrophobicContact CD1-CG2 3.67Å
410	I	97.7	Very high	96.4	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.5	175.8	-53	-54.4	0	0	0	109.8	I285 L286 T287 I288 Y370 R372 T412	I285-I410 HydrophobicContact CD1-CD1 3.95Å; I285-I410 HydrophobicContact CD1-CG1 4.02Å; I285-I410 HydrophobicContact CG1-CG1 4.43Å; I285-I410 HydrophobicContact CG2-CG1 3.92Å; L286-I410 PolarHBondContact O-N 3.1Å; T287-I410 CarbonylContact C-O 3.6Å; T287-I410 WeakPolarHBondContact CA-O 3.4Å; T287-I410 HydrophobicContact CG2-CB 4.08Å; T287-I410 HydrophobicContact CG2-CG2 4.3Å; I288-I410 PolarHBondContact N-O 2.91Å; Y370-I410 HydrophobicContact CD2-CD1 4.08Å; Y370-I410 HydrophobicContact CD2-CG1 4.48Å; Y370-I410 HydrophobicContact CD2-CG2 4.41Å; Y370-I410 HydrophobicContact CE1-CD1 4.17Å; Y370-I410 HydrophobicContact CE2-CD1 3.43Å; Y370-I410 VanDerWaalsContact CE2-CD1 3.43Å; Y370-I410 HydrophobicContact CE2-CG1 4.02Å; Y370-I410 VanDerWaalsContact CZ-CD1 3.47Å; R372-I410 HydrophobicContact CB-CD1 3.89Å; R372-I410 HydrophobicContact CG-CD1 4.17Å; I410-T412 HydrophobicContact CG2-CG2 4.47Å
411	V	97.5	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118	166.4	174.9	0	0	0	0	108.5	I288 N371 W373 L378 L409 D413 P414 I417	I288-V411 HydrophobicContact CB-CG2 4.19Å; I288-V411 HydrophobicContact CG2-CG2 4.23Å; N371-V411 VanDerWaalsContact CB-O 3.25Å; N371-V411 WeakPolarHBondContact CB-O 3.32Å; N371-V411 PolarHBondContact ND2-O 2.9Å; N371-V411 PolarHBondContact O-N 3.47Å; W373-V411 HydrophobicContact CB-CG2 4.37Å; W373-V411 HydrophobicContact CD2-CB 4.17Å; W373-V411 HydrophobicContact CD2-CG2 3.66Å; W373-V411 HydrophobicContact CE3-CB 4.33Å; W373-V411 HydrophobicContact CE3-CG2 3.46Å; W373-V411 VanDerWaalsContact CE3-CG2 3.46Å; W373-V411 HydrophobicContact CG-CG2 4.07Å; W373-V411 HydrophobicContact CZ3-CG2 4Å; L378-V411 HydrophobicContact CD1-CG2 4.36Å; L409-V411 HydrophobicContact CD1-CG2 3.67Å; V411-D413 VanDerWaalsContact C-N 3.33Å; V411-D413 PolarHBondContact O-N 2.88Å; V411-P414 HydrophobicContact CG1-CG 4.17Å; V411-I417 HydrophobicContact CG1-CG1 3.7Å
412	T	94.9	Very high	96.8	Very high	9 Å²	9	41 Å²	41	6%	0.055	22%	0.221	C	C	.	.	S	Bend	trans	-78.8	-15.6	-177	60.6	0	0	0	0	114.5	T287 I288 H289 R363 L369 I410	T287-T412 HydrophobicContact CG2-CG2 3.67Å; I288-T412 PolarHBondContact O-N 3.15Å; I288-T412 PolarHBondContact O-OG1 3.3Å; H289-T412 VanDerWaalsContact CA-OG1 3.28Å; H289-T412 WeakPolarHBondContact CA-OG1 3.46Å; H289-T412 WeakPolarHBondContact CB-OG1 3.45Å; H289-T412 PolarHBondContact CD2-OG1 3.05Å; R363-T412 PolarHBondContact NH2-OG1 3.41Å; L369-T412 WeakPolarHBondContact CD2-O 3.2Å; L369-T412 VanDerWaalsContact O-CA 3.29Å; L369-T412 WeakPolarHBondContact O-CA 2.84Å; I410-T412 HydrophobicContact CG2-CG2 4.47Å
413	D	95.2	Very high	97	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	21%	0.208	C	C	.	.			trans	-154	86.9	178.7	-163.5	-34.3	0	0	0	111.8	S358 R363 V411 V415 Y416 I417	S358-D413 VanDerWaalsContact CB-OD2 3.24Å; S358-D413 WeakPolarHBondContact CB-OD2 3.45Å; S358-D413 PolarHBondContact OG-OD2 2.8Å; R363-D413 IonicContact NH1-OD2 2.62Å; R363-D413 PolarHBondContact NH1-OD2 3.23Å; V411-D413 VanDerWaalsContact C-N 3.33Å; V411-D413 PolarHBondContact O-N 2.88Å; D413-V415 VanDerWaalsContact C-N 3.25Å; D413-V415 PolarHBondContact O-N 2.92Å; D413-V415 PolarHBondContact OD1-N 3.09Å; D413-Y416 PolarHBondContact O-N 3.27Å; D413-Y416 WeakPolarHBondContact OD1-CB 3.28Å; D413-Y416 PolarHBondContact OD1-N 3.04Å; D413-I417 WeakPolarHBondContact O-CG1 3.31Å; D413-I417 PolarHBondContact O-N 3.2Å
414	P	97.1	Very high	97.1	Very high	35 Å²	35	37.9 Å²	37.9	23%	0.227	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-34.5	177.4	-30.3	38.7	0	0	0	114.2	N371 W373 V411 I417 A418	N371-P414 HydrophobicContact CB-CG 3.78Å; N371-P414 WeakPolarHBondContact ND2-CD 3.39Å; W373-P414 HydrophobicContact CH2-CB 4.48Å; W373-P414 HydrophobicContact CZ2-CB 3.83Å; W373-P414 HydrophobicContact CZ2-CG 4.19Å; V411-P414 HydrophobicContact CG1-CG 4.17Å; P414-I417 PolarHBondContact O-N 3.08Å; P414-A418 PolarHBondContact O-N 3.05Å
415	V	96.4	Very high	97.2	Very high	92 Å²	92	38.7 Å²	38.7	56%	0.558	21%	0.209	S	C	*	.	H	α-helix	trans	-70	-44.3	-178.1	177.4	0	0	0	0	110	D413 A418 H419	D413-V415 VanDerWaalsContact C-N 3.25Å; D413-V415 PolarHBondContact O-N 2.92Å; D413-V415 PolarHBondContact OD1-N 3.09Å; V415-A418 PolarHBondContact O-N 3.47Å; V415-H419 VanDerWaalsContact CG1-CE1 3.48Å; V415-H419 WeakPolarHBondContact CG1-CE1 3.11Å; V415-H419 VanDerWaalsContact O-CG 3.3Å; V415-H419 PolarHBondContact O-N 2.9Å; V415-H419 VanDerWaalsContact O-N 3.08Å; V415-H419 PolarHBondContact O-ND1 3.04Å
416	Y	97	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-45.9	169.4	171.7	-87.2	0	0	0	111.8	F269 Q290 G291 Y353 D413 A418 H419 I420	F269-Y416 WeakPolarHBondContact O-CE1 3.31Å; F269-Y416 PolarHBondContact O-OH 3.13Å; Q290-Y416 VanDerWaalsContact CA-CE1 3.41Å; Q290-Y416 HydrophobicContact CB-CD1 3.73Å; Q290-Y416 HydrophobicContact CB-CD2 3.79Å; Q290-Y416 HydrophobicContact CB-CE1 3.64Å; Q290-Y416 HydrophobicContact CB-CE2 3.65Å; Q290-Y416 HydrophobicContact CB-CG 3.8Å; G291-Y416 PolarHBondContact N-OH 3.04Å; Y353-Y416 HydrophobicContact CE2-CE2 4.25Å; Y353-Y416 VanDerWaalsContact CE2-OH 3.27Å; Y353-Y416 WeakPolarHBondContact CE2-OH 3.49Å; Y353-Y416 PolarHBondContact OH-OH 2.9Å; D413-Y416 PolarHBondContact O-N 3.27Å; D413-Y416 WeakPolarHBondContact OD1-CB 3.28Å; D413-Y416 PolarHBondContact OD1-N 3.04Å; Y416-A418 PolarHBondContact O-N 3.11Å; Y416-H419 PolarHBondContact O-N 3.25Å; Y416-H419 VanDerWaalsContact O-N 3.14Å; Y416-I420 HydrophobicContact CD1-CG2 4.07Å; Y416-I420 HydrophobicContact CE1-CB 4.11Å; Y416-I420 HydrophobicContact CE1-CG2 3.67Å; Y416-I420 WeakPolarHBondContact O-CG2 3.34Å; Y416-I420 PolarHBondContact O-N 3.44Å
417	I	98	Very high	97.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-44.8	-179.2	-70.1	-63.4	0	0	0	111.4	V270 I288 W373 M382 V411 D413 P414 H419 I420 N421	V270-I417 HydrophobicContact CG2-CD1 4.2Å; I288-I417 HydrophobicContact CG2-CD1 4Å; W373-I417 HydrophobicContact CH2-CG2 4.2Å; W373-I417 HydrophobicContact CZ3-CG2 4.19Å; M382-I417 HydrophobicContact CB-CG2 3.94Å; M382-I417 HydrophobicContact SD-CD1 4.06Å; M382-I417 HydrophobicContact SD-CG2 4.21Å; V411-I417 HydrophobicContact CG1-CG1 3.7Å; D413-I417 WeakPolarHBondContact O-CG1 3.31Å; D413-I417 PolarHBondContact O-N 3.2Å; P414-I417 PolarHBondContact O-N 3.08Å; I417-H419 PolarHBondContact O-N 3.26Å; I417-I420 WeakPolarHBondContact O-CG2 3.47Å; I417-N421 VanDerWaalsContact O-CB 3.3Å; I417-N421 WeakPolarHBondContact O-CB 3.3Å; I417-N421 PolarHBondContact O-N 3.32Å
418	A	98.1	Very high	97.1	Very high	46 Å²	46	41.8 Å²	41.8	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-43.1	174.6	0	0	0	0	0	112.3	P414 V415 Y416 K422	P414-A418 PolarHBondContact O-N 3.05Å; V415-A418 PolarHBondContact O-N 3.47Å; Y416-A418 PolarHBondContact O-N 3.11Å; A418-K422 WeakPolarHBondContact O-CB 3.49Å; A418-K422 PolarHBondContact O-N 3.49Å; A418-K422 VanDerWaalsContact O-N 3.1Å
419	H	98.2	Very high	97	Very high	89 Å²	89	41.7 Å²	41.7	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-42	178.6	-68.5	149.7	0	0	0	113.5	I356 V415 Y416 I417 K422 L423	I356-H419 HydrophobicContact CB-CB 3.93Å; I356-H419 HydrophobicContact CD1-CB 3.88Å; I356-H419 HydrophobicContact CG1-CB 4.5Å; I356-H419 HydrophobicContact CG2-CB 4.06Å; V415-H419 VanDerWaalsContact CG1-CE1 3.48Å; V415-H419 WeakPolarHBondContact CG1-CE1 3.11Å; V415-H419 VanDerWaalsContact O-CG 3.3Å; V415-H419 PolarHBondContact O-N 2.9Å; V415-H419 VanDerWaalsContact O-N 3.08Å; V415-H419 PolarHBondContact O-ND1 3.04Å; Y416-H419 PolarHBondContact O-N 3.25Å; Y416-H419 VanDerWaalsContact O-N 3.14Å; I417-H419 PolarHBondContact O-N 3.26Å; H419-K422 PolarHBondContact O-N 3.48Å; H419-L423 WeakPolarHBondContact O-CB 3.4Å; H419-L423 PolarHBondContact O-N 2.94Å
420	I	98	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.9	-36	178.5	-169.2	56.3	0	0	0	111.2	F269 Y353 I356 M382 Y416 I417 K422 L423 L424	F269-I420 HydrophobicContact CB-CD1 4.29Å; F269-I420 HydrophobicContact CB-CG1 3.95Å; F269-I420 HydrophobicContact CD1-CD1 3.9Å; F269-I420 HydrophobicContact CD1-CG1 4.5Å; F269-I420 HydrophobicContact CG-CD1 4.36Å; Y353-I420 HydrophobicContact CD2-CD1 3.74Å; Y353-I420 HydrophobicContact CE2-CD1 3.82Å; Y353-I420 HydrophobicContact CE2-CG1 4.49Å; I356-I420 HydrophobicContact CD1-CB 4.05Å; I356-I420 HydrophobicContact CD1-CD1 4.11Å; M382-I420 HydrophobicContact CE-CG2 3.81Å; M382-I420 HydrophobicContact SD-CG2 4.24Å; Y416-I420 HydrophobicContact CD1-CG2 4.07Å; Y416-I420 HydrophobicContact CE1-CB 4.11Å; Y416-I420 HydrophobicContact CE1-CG2 3.67Å; Y416-I420 WeakPolarHBondContact O-CG2 3.34Å; Y416-I420 PolarHBondContact O-N 3.44Å; I417-I420 WeakPolarHBondContact O-CG2 3.47Å; I420-K422 VanDerWaalsContact C-N 3.35Å; I420-K422 PolarHBondContact O-N 3.04Å; I420-L423 HydrophobicContact CD1-CB 4.41Å; I420-L423 HydrophobicContact CD1-CD2 4.11Å; I420-L423 PolarHBondContact O-N 2.94Å; I420-L424 HydrophobicContact CD1-CD1 4.45Å; I420-L424 HydrophobicContact CD1-CD2 4.4Å; I420-L424 HydrophobicContact CD1-CG 4.07Å; I420-L424 HydrophobicContact CG1-CD1 4.09Å; I420-L424 HydrophobicContact CG1-CG 4.2Å; I420-L424 WeakPolarHBondContact O-CB 3.3Å; I420-L424 VanDerWaalsContact O-CG 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.3Å; I420-L424 PolarHBondContact O-N 3.37Å
421	N	98.1	Very high	96.8	Very high	17 Å²	17	45 Å²	45	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-50.7	172	-172.2	36.7	0	0	0	110.4	E381 M382 T383 A384 I417 L423 L424 L425	E381-N421 PolarHBondContact O-ND2 3.42Å; M382-N421 HydrophobicContact CB-CB 4.45Å; M382-N421 HydrophobicContact CG-CB 4.06Å; T383-N421 PolarHBondContact N-ND2 2.91Å; T383-N421 PolarHBondContact N-OD1 3.28Å; T383-N421 PolarHBondContact OG1-ND2 3.47Å; A384-N421 WeakPolarHBondContact CB-OD1 3.37Å; A384-N421 PolarHBondContact N-OD1 2.94Å; I417-N421 VanDerWaalsContact O-CB 3.3Å; I417-N421 WeakPolarHBondContact O-CB 3.3Å; I417-N421 PolarHBondContact O-N 3.32Å; N421-L423 PolarHBondContact O-N 2.95Å; N421-L424 PolarHBondContact O-N 2.77Å; N421-L425 VanDerWaalsContact O-CG 3.3Å; N421-L425 WeakPolarHBondContact O-CG 3.5Å; N421-L425 PolarHBondContact O-N 3.26Å; N421-L425 VanDerWaalsContact O-N 3.08Å
422	K	98.4	Very high	96.8	Very high	118 Å²	118	45 Å²	45	51%	0.513	23%	0.233	S	C	.	.	H	α-helix	trans	-56.9	-50	175.4	-177.1	179.5	175.7	-176.7	0	112.2	A418 H419 I420 L424 L425 E426	A418-K422 WeakPolarHBondContact O-CB 3.49Å; A418-K422 PolarHBondContact O-N 3.49Å; A418-K422 VanDerWaalsContact O-N 3.1Å; H419-K422 PolarHBondContact O-N 3.48Å; I420-K422 VanDerWaalsContact C-N 3.35Å; I420-K422 PolarHBondContact O-N 3.04Å; K422-L424 VanDerWaalsContact C-N 3.29Å; K422-L424 PolarHBondContact O-N 3.34Å; K422-L425 PolarHBondContact O-N 2.96Å; K422-L425 VanDerWaalsContact O-N 3.12Å; K422-E426 WeakPolarHBondContact CE-OE1 3.34Å; K422-E426 WeakPolarHBondContact CE-OE2 3.41Å; K422-E426 HydrophobicContact CG-CG 4.33Å; K422-E426 IonicContact NZ-OE1 3.17Å; K422-E426 IonicContact NZ-OE2 3.5Å; K422-E426 PolarHBondContact O-N 2.98Å
423	L	98.2	Very high	96.8	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-37	-178.7	-179.8	60.8	0	0	0	112.4	F349 T352 I356 H419 I420 N421 T427	F349-L423 HydrophobicContact CD2-CD1 4.4Å; F349-L423 HydrophobicContact CE2-CD1 4.15Å; F349-L423 HydrophobicContact CE2-CD2 4.07Å; F349-L423 HydrophobicContact CE2-CG 3.88Å; T352-L423 HydrophobicContact CG2-CD1 3.71Å; T352-L423 HydrophobicContact CG2-CD2 4.31Å; I356-L423 HydrophobicContact CD1-CB 4.25Å; I356-L423 HydrophobicContact CD1-CD2 3.74Å; I356-L423 HydrophobicContact CG1-CD2 4.4Å; H419-L423 WeakPolarHBondContact O-CB 3.4Å; H419-L423 PolarHBondContact O-N 2.94Å; I420-L423 HydrophobicContact CD1-CB 4.41Å; I420-L423 HydrophobicContact CD1-CD2 4.11Å; I420-L423 PolarHBondContact O-N 2.94Å; N421-L423 PolarHBondContact O-N 2.95Å; L423-T427 VanDerWaalsContact O-CB 3.25Å; L423-T427 WeakPolarHBondContact O-CB 3.28Å; L423-T427 PolarHBondContact O-N 2.71Å; L423-T427 VanDerWaalsContact O-N 3.11Å; L423-T427 PolarHBondContact O-OG1 2.77Å
424	L	97.4	Very high	96.9	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-74.2	-25.4	176.7	-67.3	177.4	0	0	0	113.6	F269 M382 A384 I420 N421 K422 L432	F269-L424 HydrophobicContact CB-CD1 4.21Å; F269-L424 HydrophobicContact CD1-CD2 4.06Å; F269-L424 HydrophobicContact CD2-CD1 4.03Å; F269-L424 HydrophobicContact CD2-CD2 3.73Å; F269-L424 HydrophobicContact CE1-CD2 3.92Å; F269-L424 HydrophobicContact CE2-CD2 3.56Å; F269-L424 HydrophobicContact CG-CD1 4.14Å; F269-L424 HydrophobicContact CG-CD2 3.97Å; F269-L424 HydrophobicContact CZ-CD2 3.65Å; M382-L424 HydrophobicContact CE-CD1 3.75Å; A384-L424 HydrophobicContact CB-CB 3.76Å; A384-L424 HydrophobicContact CB-CD1 4.15Å; I420-L424 HydrophobicContact CD1-CD1 4.45Å; I420-L424 HydrophobicContact CD1-CD2 4.4Å; I420-L424 HydrophobicContact CD1-CG 4.07Å; I420-L424 HydrophobicContact CG1-CD1 4.09Å; I420-L424 HydrophobicContact CG1-CG 4.2Å; I420-L424 WeakPolarHBondContact O-CB 3.3Å; I420-L424 VanDerWaalsContact O-CG 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.3Å; I420-L424 PolarHBondContact O-N 3.37Å; N421-L424 PolarHBondContact O-N 2.77Å; K422-L424 VanDerWaalsContact C-N 3.29Å; K422-L424 PolarHBondContact O-N 3.34Å; L424-L432 HydrophobicContact CD2-CD1 4.2Å; L424-L432 HydrophobicContact CD2-CD2 3.61Å; L424-L432 WeakPolarHBondContact O-CD1 3.3Å
425	L	96.6	Very high	97	Very high	106 Å²	106	42 Å²	42	56%	0.555	22%	0.215	S	C	*	.	H	α-helix	trans	-83.4	-31	175.5	-67.1	170.3	0	0	0	112.7	A384 N421 K422	A384-L425 HydrophobicContact CB-CD2 4.18Å; A384-L425 HydrophobicContact CB-CG 4.2Å; N421-L425 VanDerWaalsContact O-CG 3.3Å; N421-L425 WeakPolarHBondContact O-CG 3.5Å; N421-L425 PolarHBondContact O-N 3.26Å; N421-L425 VanDerWaalsContact O-N 3.08Å; K422-L425 PolarHBondContact O-N 2.96Å; K422-L425 VanDerWaalsContact O-N 3.12Å
426	E	96.9	Very high	97	Very high	136 Å²	136	37.7 Å²	37.7	64%	0.636	19%	0.188	S	C	*	.	H	α-helix	trans	-89	-20.6	-179.8	-68.9	-177.8	159.4	0	0	113.9	K422	K422-E426 WeakPolarHBondContact CE-OE1 3.34Å; K422-E426 WeakPolarHBondContact CE-OE2 3.41Å; K422-E426 HydrophobicContact CG-CG 4.33Å; K422-E426 IonicContact NZ-OE1 3.17Å; K422-E426 IonicContact NZ-OE2 3.5Å; K422-E426 PolarHBondContact O-N 2.98Å
427	T	97	Very high	97	Very high	29 Å²	29	37.7 Å²	37.7	18%	0.178	19%	0.188	C	C	.	.	S	Bend	trans	-84.2	139.1	179.9	-57.2	0	0	0	0	111.7	F349 L423 K429 V431 L432	F349-T427 HydrophobicContact CD2-CG2 3.61Å; F349-T427 HydrophobicContact CE2-CG2 3.84Å; F349-T427 WeakPolarHBondContact CE2-OG1 3.34Å; F349-T427 HydrophobicContact CG-CG2 4.49Å; L423-T427 VanDerWaalsContact O-CB 3.25Å; L423-T427 WeakPolarHBondContact O-CB 3.28Å; L423-T427 PolarHBondContact O-N 2.71Å; L423-T427 VanDerWaalsContact O-N 3.11Å; L423-T427 PolarHBondContact O-OG1 2.77Å; T427-K429 PolarHBondContact O-N 3.47Å; T427-V431 HydrophobicContact CG2-CB 3.98Å; T427-V431 HydrophobicContact CG2-CG1 4.09Å; T427-L432 HydrophobicContact CG2-CD2 3.73Å; T427-L432 HydrophobicContact CG2-CG 3.82Å
428	D	94.8	Very high	96.9	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	19%	0.188	S	C	.	.			trans	-60	136.4	174.8	-176.5	-97.3	0	0	0	112.9	Q248 R430 V431 L432	Q248-D428 PolarHBondContact NE2-OD2 3.16Å; D428-R430 VanDerWaalsContact C-N 3.25Å; D428-R430 PolarHBondContact O-N 2.94Å; D428-R430 WeakPolarHBondContact OD1-CA 3.49Å; D428-R430 WeakPolarHBondContact OD1-CB 3.36Å; D428-R430 PolarHBondContact OD1-N 2.91Å; D428-V431 HydrophobicContact CB-CG2 4.47Å; D428-V431 WeakPolarHBondContact O-CB 3.5Å; D428-V431 PolarHBondContact O-N 3.25Å; D428-V431 VanDerWaalsContact O-N 3.1Å; D428-L432 PolarHBondContact O-N 2.92Å; D428-L432 VanDerWaalsContact O-N 3.16Å
429	K	93.9	Very high	96.9	Very high	66 Å²	66	36.1 Å²	36.1	29%	0.287	17%	0.172	S	C	.	.	H	α-helix	trans	-58.1	-32.8	-177.8	-68.6	-166.4	-174.1	178.7	0	113.2	Q248 V251 T427 V431 L432 V433	Q248-K429 HydrophobicContact CG-CB 3.95Å; Q248-K429 HydrophobicContact CG-CD 3.9Å; Q248-K429 HydrophobicContact CG-CG 4.23Å; Q248-K429 PolarHBondContact O-NZ 2.71Å; V251-K429 PolarHBondContact O-NZ 3.06Å; T427-K429 PolarHBondContact O-N 3.47Å; K429-V431 VanDerWaalsContact C-N 3.31Å; K429-V431 PolarHBondContact O-N 2.91Å; K429-L432 PolarHBondContact O-N 3.16Å; K429-V433 WeakPolarHBondContact O-CB 3.44Å; K429-V433 VanDerWaalsContact O-CG2 3.25Å; K429-V433 WeakPolarHBondContact O-CG2 3.16Å; K429-V433 PolarHBondContact O-N 2.85Å
430	R	95	Very high	96.7	Very high	58 Å²	58	31.9 Å²	31.9	22%	0.219	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-43.7	178.7	-170.3	-177	171.4	89.6	-0.9	110.1	P240 W246 E342 D428 N434	P240-R430 HydrophobicContact CB-CG 3.61Å; P240-R430 HydrophobicContact CG-CG 4.08Å; P240-R430 PolarHBondContact O-NH2 3.29Å; W246-R430 HydrophobicContact CE3-CG 4.31Å; W246-R430 HydrophobicContact CH2-CB 4.45Å; W246-R430 HydrophobicContact CZ3-CB 3.88Å; W246-R430 HydrophobicContact CZ3-CG 4.07Å; E342-R430 VanDerWaalsContact CD-NH2 3.25Å; E342-R430 IonicContact OE1-CZ 2.71Å; E342-R430 IonicContact OE1-NE 2.67Å; E342-R430 IonicContact OE1-NH2 2.85Å; E342-R430 PolarHBondContact OE1-NH2 3.03Å; E342-R430 IonicContact OE2-CZ 3.55Å; E342-R430 VanDerWaalsContact OE2-CZ 3.27Å; E342-R430 IonicContact OE2-NE 2.65Å; E342-R430 PolarHBondContact OE2-NE 3.4Å; E342-R430 IonicContact OE2-NH2 2.69Å; E342-R430 PolarHBondContact OE2-NH2 3.14Å; D428-R430 VanDerWaalsContact C-N 3.25Å; D428-R430 PolarHBondContact O-N 2.94Å; D428-R430 WeakPolarHBondContact OD1-CA 3.49Å; D428-R430 WeakPolarHBondContact OD1-CB 3.36Å; D428-R430 PolarHBondContact OD1-N 2.91Å; R430-N434 WeakPolarHBondContact O-CB 3.34Å; R430-N434 VanDerWaalsContact O-CG 3.28Å; R430-N434 PolarHBondContact O-N 2.8Å; R430-N434 PolarHBondContact O-ND2 3.19Å
431	V	96.6	Very high	96.6	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-44.7	175.9	-177.3	0	0	0	0	110.7	I346 F349 T427 D428 K429 N434 Y435	I346-V431 HydrophobicContact CG1-CG1 4.49Å; F349-V431 HydrophobicContact CB-CG1 3.83Å; F349-V431 HydrophobicContact CG-CG1 4.1Å; T427-V431 HydrophobicContact CG2-CB 3.98Å; T427-V431 HydrophobicContact CG2-CG1 4.09Å; D428-V431 HydrophobicContact CB-CG2 4.47Å; D428-V431 WeakPolarHBondContact O-CB 3.5Å; D428-V431 PolarHBondContact O-N 3.25Å; D428-V431 VanDerWaalsContact O-N 3.1Å; K429-V431 VanDerWaalsContact C-N 3.31Å; K429-V431 PolarHBondContact O-N 2.91Å; V431-N434 PolarHBondContact O-N 2.58Å; V431-Y435 WeakPolarHBondContact O-CB 3.27Å; V431-Y435 PolarHBondContact O-N 2.86Å
432	L	96.6	Very high	96.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-44.8	178.7	-64	178.2	0	0	0	113.1	L253 F269 F349 L424 T427 D428 K429 Y435 L436	L253-L432 HydrophobicContact CD1-CB 4.44Å; L253-L432 HydrophobicContact CD1-CD1 3.7Å; L253-L432 HydrophobicContact CD2-CB 3.92Å; F269-L432 HydrophobicContact CZ-CD2 4.16Å; F349-L432 HydrophobicContact CD2-CD2 4.36Å; F349-L432 HydrophobicContact CE1-CD2 4.18Å; F349-L432 HydrophobicContact CE2-CD2 3.49Å; F349-L432 VanDerWaalsContact CE2-CD2 3.49Å; F349-L432 HydrophobicContact CZ-CD2 3.39Å; L424-L432 HydrophobicContact CD2-CD1 4.2Å; L424-L432 HydrophobicContact CD2-CD2 3.61Å; L424-L432 WeakPolarHBondContact O-CD1 3.3Å; T427-L432 HydrophobicContact CG2-CD2 3.73Å; T427-L432 HydrophobicContact CG2-CG 3.82Å; D428-L432 PolarHBondContact O-N 2.92Å; D428-L432 VanDerWaalsContact O-N 3.16Å; K429-L432 PolarHBondContact O-N 3.16Å; L432-Y435 WeakPolarHBondContact O-CB 3.4Å; L432-Y435 PolarHBondContact O-N 3.38Å; L432-L436 WeakPolarHBondContact O-CG 3.42Å; L432-L436 PolarHBondContact O-N 3.08Å
433	V	96.3	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-42.4	177.6	174.9	0	0	0	0	110.5	P240 W246 V251 L253 I256 K429 Y435 L436 L437	P240-V433 HydrophobicContact CG-CB 4.16Å; P240-V433 HydrophobicContact CG-CG1 3.86Å; W246-V433 HydrophobicContact CH2-CB 4.43Å; W246-V433 HydrophobicContact CH2-CG2 4.26Å; W246-V433 HydrophobicContact CZ2-CB 4.04Å; W246-V433 HydrophobicContact CZ2-CG1 3.95Å; W246-V433 HydrophobicContact CZ2-CG2 3.92Å; V251-V433 HydrophobicContact CG1-CG2 3.79Å; L253-V433 HydrophobicContact CD2-CG2 3.64Å; I256-V433 HydrophobicContact CD1-CG1 4.02Å; I256-V433 HydrophobicContact CD1-CG2 4.06Å; K429-V433 WeakPolarHBondContact O-CB 3.44Å; K429-V433 VanDerWaalsContact O-CG2 3.25Å; K429-V433 WeakPolarHBondContact O-CG2 3.16Å; K429-V433 PolarHBondContact O-N 2.85Å; V433-Y435 VanDerWaalsContact C-N 3.28Å; V433-Y435 PolarHBondContact O-N 3.22Å; V433-L436 PolarHBondContact O-N 2.92Å; V433-L437 HydrophobicContact CG1-CD1 3.79Å; V433-L437 HydrophobicContact CG1-CG 4.36Å; V433-L437 WeakPolarHBondContact O-CB 3.38Å; V433-L437 WeakPolarHBondContact O-CG 3.38Å; V433-L437 PolarHBondContact O-N 3.5Å
434	N	97.2	Very high	95.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-39.9	172.7	-86.4	-24.9	0	0	0	112.3	W239 P240 I241 E342 I346 R430 V431 W438	W239-N434 PolarHBondContact NE1-O 3.48Å; W239-N434 PolarHBondContact NE1-OD1 2.85Å; P240-N434 WeakPolarHBondContact CB-OD1 3.49Å; P240-N434 VanDerWaalsContact CG-OD1 3.27Å; P240-N434 WeakPolarHBondContact CG-OD1 3.41Å; I241-N434 WeakPolarHBondContact CB-OD1 3.35Å; I241-N434 PolarHBondContact N-OD1 2.96Å; E342-N434 PolarHBondContact OE2-ND2 3.02Å; I346-N434 HydrophobicContact CD1-CB 3.52Å; I346-N434 HydrophobicContact CG1-CB 3.87Å; R430-N434 WeakPolarHBondContact O-CB 3.34Å; R430-N434 VanDerWaalsContact O-CG 3.28Å; R430-N434 PolarHBondContact O-N 2.8Å; R430-N434 PolarHBondContact O-ND2 3.19Å; V431-N434 PolarHBondContact O-N 2.58Å; N434-W438 VanDerWaalsContact O-CB 3.29Å; N434-W438 WeakPolarHBondContact O-CB 3.29Å; N434-W438 PolarHBondContact O-N 2.94Å
435	Y	97.9	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-48.6	176.5	-178.6	-103.3	0	0	0	112.2	V268 F269 I346 F349 E350 Y353 V431 L432 V433 L437 W438 R439	V268-Y435 HydrophobicContact CG1-CD1 4.06Å; V268-Y435 HydrophobicContact CG1-CE1 3.53Å; F269-Y435 HydrophobicContact CD1-CE1 4.35Å; F269-Y435 AromaticContact CE1-CD1 3.59Å; F269-Y435 HydrophobicContact CE1-CD1 3.59Å; F269-Y435 AromaticContact CE1-CE1 3.53Å; F269-Y435 HydrophobicContact CE1-CE1 3.53Å; F269-Y435 AromaticContact CZ-CD1 3.49Å; F269-Y435 HydrophobicContact CZ-CD1 3.49Å; F269-Y435 VanDerWaalsContact CZ-CD1 3.49Å; F269-Y435 AromaticContact CZ-CE1 3.9Å; F269-Y435 HydrophobicContact CZ-CE1 3.9Å; I346-Y435 HydrophobicContact CG2-CD2 3.75Å; I346-Y435 HydrophobicContact CG2-CG 4.42Å; F349-Y435 HydrophobicContact CD1-CD1 4.48Å; F349-Y435 HydrophobicContact CD1-CD2 4.01Å; F349-Y435 AromaticContact CD1-CG 3.99Å; F349-Y435 HydrophobicContact CD1-CG 3.99Å; F349-Y435 AromaticContact CE1-CD1 3.79Å; F349-Y435 HydrophobicContact CE1-CD1 3.79Å; F349-Y435 HydrophobicContact CE1-CD2 4.11Å; F349-Y435 HydrophobicContact CE1-CE1 4.17Å; F349-Y435 AromaticContact CE1-CG 3.74Å; F349-Y435 HydrophobicContact CE1-CG 3.74Å; E350-Y435 HydrophobicContact CB-CE2 4Å; E350-Y435 HydrophobicContact CG-CE2 3.99Å; E350-Y435 WeakPolarHBondContact OE1-CE2 3.25Å; E350-Y435 VanDerWaalsContact OE1-CZ 3.24Å; E350-Y435 PolarHBondContact OE1-OH 3.14Å; Y353-Y435 HydrophobicContact CD1-CE1 4.47Å; Y353-Y435 HydrophobicContact CE1-CE1 4.39Å; Y353-Y435 WeakPolarHBondContact CE1-OH 3.5Å; V431-Y435 WeakPolarHBondContact O-CB 3.27Å; V431-Y435 PolarHBondContact O-N 2.86Å; L432-Y435 WeakPolarHBondContact O-CB 3.4Å; L432-Y435 PolarHBondContact O-N 3.38Å; V433-Y435 VanDerWaalsContact C-N 3.28Å; V433-Y435 PolarHBondContact O-N 3.22Å; Y435-L437 VanDerWaalsContact C-N 3.34Å; Y435-L437 PolarHBondContact O-N 3.29Å; Y435-W438 WeakPolarHBondContact O-CB 3.35Å; Y435-W438 PolarHBondContact O-N 3.33Å; Y435-R439 HydrophobicContact CD1-CG 4.16Å; Y435-R439 HydrophobicContact CE1-CG 3.76Å; Y435-R439 HydrophobicContact CE2-CG 4.11Å; Y435-R439 VanDerWaalsContact O-CG 3.29Å; Y435-R439 WeakPolarHBondContact O-CG 3.45Å; Y435-R439 PolarHBondContact O-N 3.22Å; Y435-R439 PolarHBondContact OH-NH1 3.19Å
436	L	97.3	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-46.2	177.7	-75.5	165.7	0	0	0	111.8	L253 I256 I257 M260 V268 F269 L432 V433 R439 L440	L253-L436 HydrophobicContact CD2-CD1 3.98Å; I256-L436 HydrophobicContact CB-CD1 4.46Å; I256-L436 HydrophobicContact CG2-CB 4.11Å; I256-L436 HydrophobicContact CG2-CD1 3.98Å; I257-L436 HydrophobicContact CD1-CD1 4.3Å; I257-L436 HydrophobicContact CG1-CD1 3.8Å; I257-L436 HydrophobicContact CG1-CD2 3.69Å; I257-L436 HydrophobicContact CG1-CG 4.43Å; M260-L436 HydrophobicContact CE-CB 4.3Å; M260-L436 HydrophobicContact CE-CD2 3.97Å; M260-L436 VanDerWaalsContact CE-O 3.25Å; M260-L436 WeakPolarHBondContact CE-O 3.05Å; M260-L436 HydrophobicContact SD-CB 3.9Å; M260-L436 HydrophobicContact SD-CD2 4.06Å; V268-L436 HydrophobicContact CB-CD2 3.83Å; V268-L436 HydrophobicContact CG1-CD2 3.82Å; V268-L436 HydrophobicContact CG2-CD2 4.29Å; F269-L436 HydrophobicContact CD2-CD2 4.34Å; F269-L436 HydrophobicContact CE2-CD1 4.31Å; F269-L436 HydrophobicContact CE2-CD2 3.81Å; F269-L436 HydrophobicContact CE2-CG 4.02Å; L432-L436 WeakPolarHBondContact O-CG 3.42Å; L432-L436 PolarHBondContact O-N 3.08Å; V433-L436 PolarHBondContact O-N 2.92Å; L436-R439 WeakPolarHBondContact O-CB 3.37Å; L436-R439 PolarHBondContact O-N 2.97Å; L436-L440 PolarHBondContact O-N 2.99Å
437	L	96.3	Very high	93.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-76.2	-26.9	-178.6	-61.6	178.6	0	0	0	112.8	L233 L236 G238 W239 I256 V433 Y435 L440 T441	L233-L437 HydrophobicContact CD2-CB 3.84Å; L233-L437 HydrophobicContact CD2-CD1 4.4Å; L233-L437 HydrophobicContact CD2-CD2 4.06Å; L233-L437 HydrophobicContact CD2-CG 4.31Å; L236-L437 HydrophobicContact CB-CD2 3.89Å; L236-L437 HydrophobicContact CD1-CD2 3.66Å; L236-L437 HydrophobicContact CG-CD2 4.44Å; G238-L437 WeakPolarHBondContact O-CD1 3.33Å; W239-L437 HydrophobicContact CB-CD1 3.96Å; W239-L437 HydrophobicContact CD2-CB 4.08Å; W239-L437 HydrophobicContact CG-CB 3.86Å; W239-L437 HydrophobicContact CG-CD1 4.09Å; I256-L437 HydrophobicContact CG2-CD2 4.45Å; V433-L437 HydrophobicContact CG1-CD1 3.79Å; V433-L437 HydrophobicContact CG1-CG 4.36Å; V433-L437 WeakPolarHBondContact O-CB 3.38Å; V433-L437 WeakPolarHBondContact O-CG 3.38Å; V433-L437 PolarHBondContact O-N 3.5Å; Y435-L437 VanDerWaalsContact C-N 3.34Å; Y435-L437 PolarHBondContact O-N 3.29Å; L437-L440 HydrophobicContact CD2-CD2 4.46Å; L437-T441 VanDerWaalsContact O-CB 3.28Å; L437-T441 WeakPolarHBondContact O-CB 3.02Å; L437-T441 PolarHBondContact O-N 3.31Å; L437-T441 PolarHBondContact O-OG1 3.28Å
438	W	97.3	Very high	93	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-51	163.5	167.2	-131.5	0	0	0	111.5	W239 Y316 Y319 F320 I323 N434 Y435 L440 T441 K442	W239-W438 HydrophobicContact CH2-CE3 4.3Å; W239-W438 HydrophobicContact CZ2-CB 3.88Å; Y316-W438 AromaticContact CE2-CZ2 3.81Å; Y316-W438 HydrophobicContact CE2-CZ2 3.81Å; Y316-W438 AromaticContact CZ-NE1 3.84Å; Y316-W438 PolarHBondContact OH-NE1 3.25Å; Y316-W438 VanDerWaalsContact OH-NE1 3.1Å; Y319-W438 AromaticContact CD1-CH2 3.67Å; Y319-W438 HydrophobicContact CD1-CH2 3.67Å; Y319-W438 HydrophobicContact CD1-CZ2 4.14Å; Y319-W438 AromaticContact CE1-CH2 3.62Å; Y319-W438 HydrophobicContact CE1-CH2 3.62Å; Y319-W438 HydrophobicContact CE1-CZ2 4.28Å; F320-W438 VanDerWaalsContact CA-CH2 3.48Å; F320-W438 HydrophobicContact CB-CH2 3.71Å; F320-W438 HydrophobicContact CB-CZ2 3.57Å; F320-W438 HydrophobicContact CB-CZ3 4.27Å; F320-W438 HydrophobicContact CD1-CD2 4.03Å; F320-W438 AromaticContact CD1-CE2 3.75Å; F320-W438 HydrophobicContact CD1-CG 4.19Å; F320-W438 HydrophobicContact CD1-CZ2 4.18Å; F320-W438 AromaticContact CD1-NE1 3.76Å; F320-W438 AromaticContact CD2-CD2 3.41Å; F320-W438 HydrophobicContact CD2-CD2 3.41Å; F320-W438 VanDerWaalsContact CD2-CD2 3.41Å; F320-W438 AromaticContact CD2-CE2 3.76Å; F320-W438 AromaticContact CD2-CE3 3.31Å; F320-W438 HydrophobicContact CD2-CE3 3.31Å; F320-W438 HydrophobicContact CD2-CG 4.02Å; F320-W438 AromaticContact CD2-CH2 3.92Å; F320-W438 HydrophobicContact CD2-CH2 3.92Å; F320-W438 HydrophobicContact CD2-CZ2 4Å; F320-W438 AromaticContact CD2-CZ3 3.59Å; F320-W438 HydrophobicContact CD2-CZ3 3.59Å; F320-W438 HydrophobicContact CE1-CB 4.3Å; F320-W438 AromaticContact CE1-CD1 3.69Å; F320-W438 HydrophobicContact CE1-CD2 4.06Å; F320-W438 AromaticContact CE1-CG 3.76Å; F320-W438 HydrophobicContact CE1-CG 3.76Å; F320-W438 AromaticContact CE1-NE1 3.92Å; F320-W438 HydrophobicContact CE2-CB 3.82Å; F320-W438 AromaticContact CE2-CD2 3.47Å; F320-W438 HydrophobicContact CE2-CD2 3.47Å; F320-W438 VanDerWaalsContact CE2-CD2 3.47Å; F320-W438 AromaticContact CE2-CE3 3.54Å; F320-W438 HydrophobicContact CE2-CE3 3.54Å; F320-W438 AromaticContact CE2-CG 3.61Å; F320-W438 HydrophobicContact CE2-CG 3.61Å; F320-W438 HydrophobicContact CE2-CZ3 4.28Å; F320-W438 AromaticContact CG-CD2 3.73Å; F320-W438 HydrophobicContact CG-CD2 3.73Å; F320-W438 AromaticContact CG-CE2 3.56Å; F320-W438 AromaticContact CG-CE3 3.99Å; F320-W438 HydrophobicContact CG-CE3 3.99Å; F320-W438 HydrophobicContact CG-CG 4.33Å; F320-W438 AromaticContact CG-CH2 3.93Å; F320-W438 HydrophobicContact CG-CH2 3.93Å; F320-W438 AromaticContact CG-CZ2 3.66Å; F320-W438 HydrophobicContact CG-CZ2 3.66Å; F320-W438 HydrophobicContact CG-CZ3 4.09Å; F320-W438 HydrophobicContact CZ-CB 3.6Å; F320-W438 AromaticContact CZ-CD1 3.87Å; F320-W438 AromaticContact CZ-CD2 3.8Å; F320-W438 HydrophobicContact CZ-CD2 3.8Å; F320-W438 HydrophobicContact CZ-CE3 4.34Å; F320-W438 AromaticContact CZ-CG 3.46Å; F320-W438 HydrophobicContact CZ-CG 3.46Å; F320-W438 VanDerWaalsContact CZ-CG 3.46Å; I323-W438 HydrophobicContact CB-CZ3 3.91Å; I323-W438 HydrophobicContact CG1-CH2 4.37Å; I323-W438 HydrophobicContact CG1-CZ3 4.07Å; I323-W438 HydrophobicContact CG2-CZ3 3.9Å; N434-W438 VanDerWaalsContact O-CB 3.29Å; N434-W438 WeakPolarHBondContact O-CB 3.29Å; N434-W438 PolarHBondContact O-N 2.94Å; Y435-W438 WeakPolarHBondContact O-CB 3.35Å; Y435-W438 PolarHBondContact O-N 3.33Å; W438-L440 VanDerWaalsContact C-N 3.3Å; W438-L440 PolarHBondContact O-N 3.37Å; W438-T441 PolarHBondContact O-N 3.02Å; W438-K442 HydrophobicContact CD2-CB 4.37Å; W438-K442 HydrophobicContact CE3-CB 4.18Å; W438-K442 HydrophobicContact CH2-CB 4.02Å; W438-K442 HydrophobicContact CH2-CD 4.18Å; W438-K442 HydrophobicContact CH2-CG 4.42Å; W438-K442 HydrophobicContact CZ2-CB 4.19Å; W438-K442 HydrophobicContact CZ2-CD 3.8Å; W438-K442 HydrophobicContact CZ2-CG 4.46Å; W438-K442 HydrophobicContact CZ3-CB 4Å; W438-K442 WeakPolarHBondContact O-CB 3.43Å; W438-K442 PolarHBondContact O-N 3.3Å
439	R	96.3	Very high	92.5	Very high	14 Å²	14	17 Å²	17	5%	0.053	9%	0.09	C	C	.	.	H	α-helix	trans	-57.1	-43.7	179.7	-71.7	-66.5	-59.2	-89.1	-2.8	111.5	L266 V268 S292 L293 Y435 L436 A443	L266-R439 HydrophobicContact CD2-CB 4.47Å; L266-R439 WeakPolarHBondContact CD2-O 3.29Å; V268-R439 HydrophobicContact CG1-CG 4.28Å; V268-R439 HydrophobicContact CG2-CB 3.95Å; V268-R439 HydrophobicContact CG2-CG 4.25Å; S292-R439 PolarHBondContact O-NH1 3.15Å; S292-R439 PolarHBondContact O-NH2 3.4Å; S292-R439 PolarHBondContact OG-NH2 3.25Å; L293-R439 PolarHBondContact O-NH2 3.05Å; Y435-R439 HydrophobicContact CD1-CG 4.16Å; Y435-R439 HydrophobicContact CE1-CG 3.76Å; Y435-R439 HydrophobicContact CE2-CG 4.11Å; Y435-R439 VanDerWaalsContact O-CG 3.29Å; Y435-R439 WeakPolarHBondContact O-CG 3.45Å; Y435-R439 PolarHBondContact O-N 3.22Å; Y435-R439 PolarHBondContact OH-NH1 3.19Å; L436-R439 WeakPolarHBondContact O-CB 3.37Å; L436-R439 PolarHBondContact O-N 2.97Å; R439-A443 PolarHBondContact O-N 3.28Å
440	L	94.4	Very high	92.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-51.1	174.2	-174.2	64.8	0	0	0	112	V232 L236 M260 Y264 L266 L436 L437 W438 K442 A443 W444	V232-L440 HydrophobicContact CG1-CD2 3.76Å; L236-L440 HydrophobicContact CD1-CD2 3.33Å; M260-L440 HydrophobicContact CE-CB 4.19Å; M260-L440 HydrophobicContact CG-CD1 4.38Å; M260-L440 HydrophobicContact CG-CD2 4.29Å; M260-L440 HydrophobicContact SD-CB 4.42Å; Y264-L440 HydrophobicContact CD1-CD1 4.37Å; Y264-L440 HydrophobicContact CD2-CD1 4.27Å; Y264-L440 HydrophobicContact CG-CD1 3.92Å; L266-L440 VanDerWaalsContact CD2-CA 3.45Å; L266-L440 HydrophobicContact CD2-CB 4.18Å; L266-L440 HydrophobicContact CD2-CD1 4.03Å; L436-L440 PolarHBondContact O-N 2.99Å; L437-L440 HydrophobicContact CD2-CD2 4.46Å; W438-L440 VanDerWaalsContact C-N 3.3Å; W438-L440 PolarHBondContact O-N 3.37Å; L440-K442 PolarHBondContact O-N 2.91Å; L440-A443 PolarHBondContact O-N 2.91Å; L440-W444 HydrophobicContact CD1-CG 4.5Å; L440-W444 PolarHBondContact O-N 2.86Å
441	T	95.2	Very high	92	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-44.1	-179.7	-58.5	0	0	0	0	111.6	I229 W239 I323 I327 L437 W438 A443 W444 A445	I229-T441 HydrophobicContact CG1-CG2 4.37Å; W239-T441 HydrophobicContact CH2-CG2 4.3Å; W239-T441 HydrophobicContact CZ3-CG2 3.99Å; W239-T441 WeakPolarHBondContact CZ3-OG1 3.37Å; I323-T441 HydrophobicContact CG2-CG2 3.49Å; I323-T441 VanDerWaalsContact CG2-CG2 3.49Å; I327-T441 HydrophobicContact CD1-CG2 3.61Å; L437-T441 VanDerWaalsContact O-CB 3.28Å; L437-T441 WeakPolarHBondContact O-CB 3.02Å; L437-T441 PolarHBondContact O-N 3.31Å; L437-T441 PolarHBondContact O-OG1 3.28Å; W438-T441 PolarHBondContact O-N 3.02Å; T441-A443 PolarHBondContact O-N 2.95Å; T441-W444 PolarHBondContact O-N 3.09Å; T441-A445 WeakPolarHBondContact O-CB 3.15Å; T441-A445 PolarHBondContact O-N 3.34Å
442	K	93.6	Very high	91.7	Very high	45 Å²	45	15.1 Å²	15.1	20%	0.196	8%	0.08	C	C	.	.	H	α-helix	trans	-60.4	-41.5	177	173.9	165.8	-176.3	-77.7	0	112.4	G294 L295 Y316 Y319 W438 L440	G294-K442 WeakPolarHBondContact O-CD 3.39Å; G294-K442 WeakPolarHBondContact O-CE 3.42Å; G294-K442 PolarHBondContact O-NZ 3.2Å; L295-K442 PolarHBondContact O-NZ 2.93Å; Y316-K442 HydrophobicContact CE2-CD 4.24Å; Y319-K442 HydrophobicContact CE1-CD 4.03Å; Y319-K442 HydrophobicContact CE1-CG 4.05Å; W438-K442 HydrophobicContact CD2-CB 4.37Å; W438-K442 HydrophobicContact CE3-CB 4.18Å; W438-K442 HydrophobicContact CH2-CB 4.02Å; W438-K442 HydrophobicContact CH2-CD 4.18Å; W438-K442 HydrophobicContact CH2-CG 4.42Å; W438-K442 HydrophobicContact CZ2-CB 4.19Å; W438-K442 HydrophobicContact CZ2-CD 3.8Å; W438-K442 HydrophobicContact CZ2-CG 4.46Å; W438-K442 HydrophobicContact CZ3-CB 4Å; W438-K442 WeakPolarHBondContact O-CB 3.43Å; W438-K442 PolarHBondContact O-N 3.3Å; L440-K442 PolarHBondContact O-N 2.91Å
443	A	88.1	Confident	91.2	Very high	43 Å²	43	16.7 Å²	16.7	36%	0.355	9%	0.089	S	C	.	.	H	α-helix	trans	-68.8	-40.6	179.3	0	0	0	0	0	112.2	L266 R439 L440 T441	L266-A443 HydrophobicContact CD2-CB 4.06Å; R439-A443 PolarHBondContact O-N 3.28Å; L440-A443 PolarHBondContact O-N 2.91Å; T441-A443 PolarHBondContact O-N 2.95Å
444	W	88.9	Confident	90.8	Very high	8 Å²	8	20.1 Å²	20.1	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-91.2	-8.2	-174.4	-70.4	69.6	0	0	0	114.2	I229 Y264 L440 T441 S446 M447 F573 R577	I229-W444 HydrophobicContact CD1-CB 4.35Å; Y264-W444 HydrophobicContact CD1-CD2 4.11Å; Y264-W444 AromaticContact CD1-CE2 3.74Å; Y264-W444 HydrophobicContact CD1-CE3 4.3Å; Y264-W444 HydrophobicContact CD1-CH2 4.04Å; Y264-W444 AromaticContact CD1-CZ2 3.73Å; Y264-W444 HydrophobicContact CD1-CZ2 3.73Å; Y264-W444 HydrophobicContact CD1-CZ3 4.27Å; Y264-W444 HydrophobicContact CG-CZ2 4.3Å; L440-W444 HydrophobicContact CD1-CG 4.5Å; L440-W444 PolarHBondContact O-N 2.86Å; T441-W444 PolarHBondContact O-N 3.09Å; W444-S446 PolarHBondContact O-N 3.25Å; W444-S446 VanDerWaalsContact O-N 3.14Å; W444-M447 HydrophobicContact CB-SD 4.4Å; W444-M447 HydrophobicContact CD2-CE 4.29Å; W444-M447 HydrophobicContact CD2-SD 3.7Å; W444-M447 HydrophobicContact CE3-CE 4.16Å; W444-M447 HydrophobicContact CE3-SD 3.16Å; W444-M447 HydrophobicContact CG-SD 4.29Å; W444-M447 HydrophobicContact CH2-CE 4.32Å; W444-M447 HydrophobicContact CH2-SD 4.16Å; W444-M447 HydrophobicContact CZ3-CE 4.18Å; W444-M447 HydrophobicContact CZ3-SD 3.44Å; W444-M447 WeakPolarHBondContact CZ3-SD 3.47Å; W444-M447 WeakPolarHBondContact O-CB 3.11Å; W444-M447 PolarHBondContact O-N 2.87Å; W444-F573 HydrophobicContact CB-CE2 4.46Å; W444-F573 HydrophobicContact CE3-CD2 4.13Å; W444-F573 HydrophobicContact CE3-CE1 4.26Å; W444-F573 AromaticContact CE3-CE2 3.71Å; W444-F573 HydrophobicContact CE3-CE2 3.71Å; W444-F573 AromaticContact CE3-CZ 3.78Å; W444-F573 HydrophobicContact CE3-CZ 3.78Å; W444-F573 HydrophobicContact CZ3-CE1 4.47Å; W444-F573 HydrophobicContact CZ3-CZ 4.43Å; W444-R577 HydrophobicContact CH2-CB 3.93Å; W444-R577 HydrophobicContact CH2-CG 4.35Å; W444-R577 HydrophobicContact CZ3-CB 4.01Å
445	A	88.2	Confident	90.7	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.025	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-51.4	-36.8	178.2	0	0	0	0	0	114.5	I323 T441 M447 L448 Y452	I323-A445 HydrophobicContact CD1-CB 4.41Å; T441-A445 WeakPolarHBondContact O-CB 3.15Å; T441-A445 PolarHBondContact O-N 3.34Å; A445-M447 PolarHBondContact O-N 3.42Å; A445-M447 VanDerWaalsContact O-N 3.12Å; A445-L448 WeakPolarHBondContact O-CB 3.16Å; A445-L448 PolarHBondContact O-N 3.32Å; A445-L448 VanDerWaalsContact O-N 3.14Å; A445-Y452 HydrophobicContact CB-CD1 3.88Å; A445-Y452 WeakPolarHBondContact O-CB 3.36Å
446	S	80.6	Confident	90.3	Very high	48 Å²	48	23.1 Å²	23.1	34%	0.336	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-66.1	-11.8	-180	66.7	0	0	0	0	114.7	W444 R472	W444-S446 PolarHBondContact O-N 3.25Å; W444-S446 VanDerWaalsContact O-N 3.14Å; S446-R472 PolarHBondContact O-NH2 2.9Å
447	M	82.2	Confident	89.8	Confident	34 Å²	34	23.8 Å²	23.8	17%	0.167	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-99	-0.4	179.8	-55.4	161.1	-173.9	0	0	112.5	W444 A445 Y572 F573	W444-M447 HydrophobicContact CB-SD 4.4Å; W444-M447 HydrophobicContact CD2-CE 4.29Å; W444-M447 HydrophobicContact CD2-SD 3.7Å; W444-M447 HydrophobicContact CE3-CE 4.16Å; W444-M447 HydrophobicContact CE3-SD 3.16Å; W444-M447 HydrophobicContact CG-SD 4.29Å; W444-M447 HydrophobicContact CH2-CE 4.32Å; W444-M447 HydrophobicContact CH2-SD 4.16Å; W444-M447 HydrophobicContact CZ3-CE 4.18Å; W444-M447 HydrophobicContact CZ3-SD 3.44Å; W444-M447 WeakPolarHBondContact CZ3-SD 3.47Å; W444-M447 WeakPolarHBondContact O-CB 3.11Å; W444-M447 PolarHBondContact O-N 2.87Å; A445-M447 PolarHBondContact O-N 3.42Å; A445-M447 VanDerWaalsContact O-N 3.12Å; M447-Y572 HydrophobicContact CB-CD1 4.01Å; M447-Y572 HydrophobicContact CB-CE1 4.09Å; M447-Y572 HydrophobicContact CG-CD1 4.05Å; M447-Y572 HydrophobicContact CG-CE1 3.68Å; M447-F573 HydrophobicContact CB-CD2 4.11Å
448	L	85.6	Confident	89.5	Confident	9 Å²	9	28.3 Å²	28.3	5%	0.047	15%	0.148	C	C	.	.	S	Bend	trans	-97.5	-158.2	179	-54.3	178.5	0	0	0	110.8	I221 I229 A445 Y452 F573	I221-L448 WeakPolarHBondContact CG2-O 3.44Å; I229-L448 HydrophobicContact CB-CD1 3.94Å; I229-L448 HydrophobicContact CB-CD2 4.16Å; I229-L448 HydrophobicContact CG2-CD1 3.56Å; I229-L448 HydrophobicContact CG2-CD2 4.26Å; A445-L448 WeakPolarHBondContact O-CB 3.16Å; A445-L448 PolarHBondContact O-N 3.32Å; A445-L448 VanDerWaalsContact O-N 3.14Å; L448-Y452 HydrophobicContact CB-CD1 4.49Å; L448-Y452 HydrophobicContact CB-CD2 3.57Å; L448-Y452 HydrophobicContact CB-CE2 3.91Å; L448-Y452 HydrophobicContact CB-CG 3.9Å; L448-Y452 HydrophobicContact CD1-CD1 3.87Å; L448-Y452 HydrophobicContact CD1-CD2 4.1Å; L448-Y452 HydrophobicContact CD1-CE1 3.6Å; L448-Y452 HydrophobicContact CD1-CE2 3.84Å; L448-Y452 HydrophobicContact CD1-CG 4.12Å; L448-Y452 HydrophobicContact CG-CD2 4.5Å; L448-F573 HydrophobicContact CD2-CD2 4.29Å; L448-F573 HydrophobicContact CD2-CE2 4.27Å
449	D	86	Confident	89.3	Confident	6 Å²	6	29 Å²	29	3%	0.032	15%	0.151	C	C	.	.			trans	-80.3	175	-176.1	83.5	26.9	0	0	0	115.6	K225 R451 Y452	K225-D449 WeakPolarHBondContact CA-OD2 3.15Å; D449-R451 PolarHBondContact O-N 3.19Å; D449-R451 VanDerWaalsContact O-N 3.1Å; D449-R451 WeakPolarHBondContact OD1-CA 3.46Å; D449-R451 WeakPolarHBondContact OD1-CB 3.42Å; D449-R451 WeakPolarHBondContact OD1-CG 3.3Å; D449-R451 IonicContact OD1-CZ 3.29Å; D449-R451 PolarHBondContact OD1-N 3.12Å; D449-R451 IonicContact OD1-NE 3.65Å; D449-R451 PolarHBondContact OD1-NE 3.37Å; D449-R451 VanDerWaalsContact OD1-NE 3.1Å; D449-R451 IonicContact OD1-NH2 3.64Å; D449-R451 IonicContact OD2-CZ 2.69Å; D449-R451 IonicContact OD2-NE 3.27Å; D449-R451 PolarHBondContact OD2-NE 3.34Å; D449-R451 IonicContact OD2-NH2 3.86Å; D449-R451 PolarHBondContact OD2-NH2 2.91Å; D449-Y452 WeakPolarHBondContact O-CB 3.33Å; D449-Y452 PolarHBondContact O-N 3.16Å
450	E	85	Confident	88.8	Confident	40 Å²	40	28.9 Å²	28.9	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-23.1	-176.1	-161.2	179	-158	0	0	115.3	K218 N222 Y452 D453 I454 R469	K218-E450 WeakPolarHBondContact CE-OE2 3.48Å; K218-E450 IonicContact NZ-OE1 3.96Å; K218-E450 PolarHBondContact NZ-OE1 3.32Å; K218-E450 IonicContact NZ-OE2 3.47Å; K218-E450 PolarHBondContact NZ-OE2 2.91Å; N222-E450 PolarHBondContact OD1-N 3.41Å; E450-Y452 PolarHBondContact O-N 3.21Å; E450-D453 WeakPolarHBondContact O-CB 3.06Å; E450-D453 PolarHBondContact O-N 3.31Å; E450-I454 HydrophobicContact CG-CD1 4.11Å; E450-I454 HydrophobicContact CG-CG1 4.44Å; E450-I454 WeakPolarHBondContact O-CD1 3.37Å; E450-I454 VanDerWaalsContact O-CG1 3.24Å; E450-I454 WeakPolarHBondContact O-CG1 3.36Å; E450-I454 PolarHBondContact O-N 3.1Å; E450-R469 VanDerWaalsContact CG-NH1 3.34Å; E450-R469 IonicContact OE1-CZ 3.6Å; E450-R469 IonicContact OE1-NH1 3.35Å; E450-R469 IonicContact OE1-NH2 3.93Å; E450-R469 PolarHBondContact OE1-NH2 3.36Å
451	R	91.7	Very high	88.3	Confident	63 Å²	63	32.4 Å²	32.4	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-32.6	177.5	-58.4	173.6	-67.6	160.4	-4.5	111.1	L326 D330 D449 I454 A455	L326-R451 HydrophobicContact CD1-CB 3.9Å; L326-R451 HydrophobicContact CD2-CB 3.73Å; L326-R451 HydrophobicContact CD2-CG 4.24Å; D330-R451 IonicContact OD1-CZ 2.68Å; D330-R451 IonicContact OD1-NH1 2.76Å; D330-R451 PolarHBondContact OD1-NH1 2.55Å; D330-R451 IonicContact OD1-NH2 3.79Å; D330-R451 PolarHBondContact OD1-NH2 2.55Å; D330-R451 IonicContact OD2-CZ 3.79Å; D330-R451 IonicContact OD2-NH1 3Å; D330-R451 PolarHBondContact OD2-NH1 3.16Å; D330-R451 IonicContact OD2-NH2 2.75Å; D330-R451 PolarHBondContact OD2-NH2 3.33Å; D449-R451 PolarHBondContact O-N 3.19Å; D449-R451 VanDerWaalsContact O-N 3.1Å; D449-R451 WeakPolarHBondContact OD1-CA 3.46Å; D449-R451 WeakPolarHBondContact OD1-CB 3.42Å; D449-R451 WeakPolarHBondContact OD1-CG 3.3Å; D449-R451 IonicContact OD1-CZ 3.29Å; D449-R451 PolarHBondContact OD1-N 3.12Å; D449-R451 IonicContact OD1-NE 3.65Å; D449-R451 PolarHBondContact OD1-NE 3.37Å; D449-R451 VanDerWaalsContact OD1-NE 3.1Å; D449-R451 IonicContact OD1-NH2 3.64Å; D449-R451 IonicContact OD2-CZ 2.69Å; D449-R451 IonicContact OD2-NE 3.27Å; D449-R451 PolarHBondContact OD2-NE 3.34Å; D449-R451 IonicContact OD2-NH2 3.86Å; D449-R451 PolarHBondContact OD2-NH2 2.91Å; R451-I454 PolarHBondContact O-N 3.18Å; R451-A455 WeakPolarHBondContact O-CB 3.04Å; R451-A455 PolarHBondContact O-N 3.17Å
452	Y	91.5	Very high	88.1	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-71.8	-45.5	174.3	-67.5	-92	0	0	0	111.5	S226 I323 I327 A445 L448 D449 E450 I454 A455 F456	S226-Y452 WeakPolarHBondContact CB-OH 2.97Å; S226-Y452 PolarHBondContact OG-OH 3.24Å; I323-Y452 HydrophobicContact CD1-CD1 3.44Å; I323-Y452 VanDerWaalsContact CD1-CD1 3.44Å; I323-Y452 HydrophobicContact CD1-CE1 3.82Å; I323-Y452 HydrophobicContact CG2-CE1 4.35Å; I327-Y452 HydrophobicContact CG1-CE1 4.49Å; I327-Y452 WeakPolarHBondContact CG1-OH 3.01Å; A445-Y452 HydrophobicContact CB-CD1 3.88Å; A445-Y452 WeakPolarHBondContact O-CB 3.36Å; L448-Y452 HydrophobicContact CB-CD1 4.49Å; L448-Y452 HydrophobicContact CB-CD2 3.57Å; L448-Y452 HydrophobicContact CB-CE2 3.91Å; L448-Y452 HydrophobicContact CB-CG 3.9Å; L448-Y452 HydrophobicContact CD1-CD1 3.87Å; L448-Y452 HydrophobicContact CD1-CD2 4.1Å; L448-Y452 HydrophobicContact CD1-CE1 3.6Å; L448-Y452 HydrophobicContact CD1-CE2 3.84Å; L448-Y452 HydrophobicContact CD1-CG 4.12Å; L448-Y452 HydrophobicContact CG-CD2 4.5Å; D449-Y452 WeakPolarHBondContact O-CB 3.33Å; D449-Y452 PolarHBondContact O-N 3.16Å; E450-Y452 PolarHBondContact O-N 3.21Å; Y452-I454 PolarHBondContact O-N 3.39Å; Y452-A455 PolarHBondContact O-N 3.06Å; Y452-F456 WeakPolarHBondContact O-CB 2.94Å; Y452-F456 PolarHBondContact O-N 3.49Å
453	D	85.8	Confident	87.9	Confident	33 Å²	33	33.4 Å²	33.4	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-36.8	171.8	-89.6	8.7	0	0	0	111.8	E450 Q457 R469 R472	E450-D453 WeakPolarHBondContact O-CB 3.06Å; E450-D453 PolarHBondContact O-N 3.31Å; D453-Q457 WeakPolarHBondContact O-CB 2.92Å; D453-Q457 PolarHBondContact O-N 2.67Å; D453-R469 WeakPolarHBondContact O-CD 3.19Å; D453-R469 IonicContact OD2-NH1 3.53Å; D453-R469 PolarHBondContact OD2-NH1 3.47Å; D453-R472 IonicContact OD1-NH1 2.68Å; D453-R472 PolarHBondContact OD1-NH1 3.34Å; D453-R472 IonicContact OD2-NH1 3.88Å; D453-R472 PolarHBondContact OD2-NH1 2.76Å
454	I	88.6	Confident	87.6	Confident	73 Å²	73	32.1 Å²	32.1	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-72.7	-50.9	178.1	-69.7	163	0	0	0	111	E450 R451 Y452 F456 Q457 D458	E450-I454 HydrophobicContact CG-CD1 4.11Å; E450-I454 HydrophobicContact CG-CG1 4.44Å; E450-I454 WeakPolarHBondContact O-CD1 3.37Å; E450-I454 VanDerWaalsContact O-CG1 3.24Å; E450-I454 WeakPolarHBondContact O-CG1 3.36Å; E450-I454 PolarHBondContact O-N 3.1Å; R451-I454 PolarHBondContact O-N 3.18Å; Y452-I454 PolarHBondContact O-N 3.39Å; I454-F456 PolarHBondContact O-N 3Å; I454-Q457 WeakPolarHBondContact O-CA 2.75Å; I454-Q457 WeakPolarHBondContact O-CB 3.26Å; I454-Q457 PolarHBondContact O-N 3.44Å; I454-D458 PolarHBondContact O-N 2.96Å
455	A	93.6	Very high	87.1	Confident	5 Å²	5	32.4 Å²	32.4	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-39.2	177.8	0	0	0	0	0	111.9	Y319 R322 I323 R451 Y452 F459	Y319-A455 HydrophobicContact CD2-CB 4.16Å; Y319-A455 VanDerWaalsContact CD2-O 3.3Å; Y319-A455 WeakPolarHBondContact CD2-O 3.23Å; Y319-A455 HydrophobicContact CE2-CB 4.12Å; R322-A455 HydrophobicContact CB-CB 4.45Å; R322-A455 HydrophobicContact CG-CB 3.75Å; I323-A455 HydrophobicContact CD1-CB 4.44Å; R451-A455 WeakPolarHBondContact O-CB 3.04Å; R451-A455 PolarHBondContact O-N 3.17Å; Y452-A455 PolarHBondContact O-N 3.06Å; A455-F459 PolarHBondContact O-N 2.7Å
456	F	90.9	Very high	86.7	Confident	60 Å²	60	32.7 Å²	32.7	26%	0.263	17%	0.173	S	C	.	.	H	α-helix	trans	-70.4	-32.3	174.4	-176.3	-116.4	0	0	0	112.7	Y319 Y452 I454 F459 V460 V790	Y319-F456 HydrophobicContact CE2-CB 3.94Å; Y319-F456 HydrophobicContact CE2-CD2 4.31Å; Y452-F456 WeakPolarHBondContact O-CB 2.94Å; Y452-F456 PolarHBondContact O-N 3.49Å; I454-F456 PolarHBondContact O-N 3Å; F456-F459 AromaticContact CD2-CD1 3.91Å; F456-F459 HydrophobicContact CD2-CD1 3.91Å; F456-F459 AromaticContact CE2-CD1 3.9Å; F456-F459 HydrophobicContact CE2-CD1 3.9Å; F456-F459 HydrophobicContact CE2-CE1 4.22Å; F456-F459 PolarHBondContact O-N 3.37Å; F456-V460 HydrophobicContact CD1-CG2 4.12Å; F456-V460 HydrophobicContact CD2-CG2 4.06Å; F456-V460 HydrophobicContact CE1-CG2 3.73Å; F456-V460 HydrophobicContact CE2-CG2 3.65Å; F456-V460 HydrophobicContact CG-CG2 4.27Å; F456-V460 HydrophobicContact CZ-CG2 3.48Å; F456-V460 VanDerWaalsContact CZ-CG2 3.48Å; F456-V460 WeakPolarHBondContact O-CB 3.04Å; F456-V460 WeakPolarHBondContact O-CG2 3.36Å; F456-V460 PolarHBondContact O-N 3.37Å; F456-V790 HydrophobicContact CE1-CG1 3.97Å; F456-V790 HydrophobicContact CZ-CG1 4.01Å
457	Q	87	Confident	86.5	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-43.6	173.5	174.8	58	28	0	0	112.2	D453 I454 F459 V460 L461 R466 Q467 S468 R469	D453-Q457 WeakPolarHBondContact O-CB 2.92Å; D453-Q457 PolarHBondContact O-N 2.67Å; I454-Q457 WeakPolarHBondContact O-CA 2.75Å; I454-Q457 WeakPolarHBondContact O-CB 3.26Å; I454-Q457 PolarHBondContact O-N 3.44Å; Q457-F459 VanDerWaalsContact C-N 3.26Å; Q457-F459 PolarHBondContact O-N 2.65Å; Q457-V460 PolarHBondContact O-N 3.39Å; Q457-L461 WeakPolarHBondContact O-CB 3.19Å; Q457-L461 PolarHBondContact O-N 2.74Å; Q457-R466 PolarHBondContact NE2-O 3.26Å; Q457-R466 VanDerWaalsContact OE1-NE 3.08Å; Q457-Q467 PolarHBondContact NE2-O 2.66Å; Q457-Q467 VanDerWaalsContact NE2-O 3.14Å; Q457-S468 PolarHBondContact NE2-O 2.8Å; Q457-S468 PolarHBondContact OE1-O 3.31Å; Q457-R469 HydrophobicContact CB-CG 3.64Å; Q457-R469 HydrophobicContact CG-CG 3.65Å
458	D	88.8	Confident	86.1	Confident	96 Å²	96	36.3 Å²	36.3	51%	0.513	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-35.5	178.7	-61.9	-24.4	0	0	0	111.5	I454	I454-D458 PolarHBondContact O-N 2.96Å
459	F	92.9	Very high	85.6	Confident	14 Å²	14	38.7 Å²	38.7	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-51.8	171.3	172.8	-115.1	0	0	0	112.5	L295 A315 Y316 Y319 A455 F456 Q457 L461 V462 M463	L295-F459 HydrophobicContact CD2-CE2 3.98Å; L295-F459 HydrophobicContact CD2-CZ 3.65Å; A315-F459 HydrophobicContact CB-CD2 4.36Å; Y316-F459 HydrophobicContact CD2-CE2 4.04Å; Y316-F459 HydrophobicContact CD2-CZ 4.24Å; Y316-F459 HydrophobicContact CG-CE2 4.4Å; Y319-F459 HydrophobicContact CD1-CD1 4.38Å; Y319-F459 HydrophobicContact CD1-CG 4.26Å; Y319-F459 HydrophobicContact CD2-CB 4.02Å; Y319-F459 HydrophobicContact CG-CB 3.92Å; Y319-F459 HydrophobicContact CG-CD2 4.41Å; Y319-F459 HydrophobicContact CG-CG 4.03Å; A455-F459 PolarHBondContact O-N 2.7Å; F456-F459 AromaticContact CD2-CD1 3.91Å; F456-F459 HydrophobicContact CD2-CD1 3.91Å; F456-F459 AromaticContact CE2-CD1 3.9Å; F456-F459 HydrophobicContact CE2-CD1 3.9Å; F456-F459 HydrophobicContact CE2-CE1 4.22Å; F456-F459 PolarHBondContact O-N 3.37Å; Q457-F459 VanDerWaalsContact C-N 3.26Å; Q457-F459 PolarHBondContact O-N 2.65Å; F459-L461 VanDerWaalsContact C-N 3.26Å; F459-L461 PolarHBondContact O-N 2.89Å; F459-V462 PolarHBondContact O-N 3.39Å; F459-M463 HydrophobicContact CD1-CG 4.38Å; F459-M463 HydrophobicContact CD2-CG 3.97Å; F459-M463 HydrophobicContact CE1-CG 3.93Å; F459-M463 HydrophobicContact CE2-CG 3.46Å; F459-M463 VanDerWaalsContact CE2-CG 3.46Å; F459-M463 HydrophobicContact CE2-SD 3.72Å; F459-M463 HydrophobicContact CG-CG 4.4Å; F459-M463 HydrophobicContact CZ-CG 3.44Å; F459-M463 VanDerWaalsContact CZ-CG 3.44Å; F459-M463 HydrophobicContact CZ-SD 3.97Å; F459-M463 PolarHBondContact O-N 3.06Å
460	V	85.2	Confident	84.8	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-26.2	-177.5	176.2	0	0	0	0	112.2	F456 Q457 V462 M463 V464 R466	F456-V460 HydrophobicContact CD1-CG2 4.12Å; F456-V460 HydrophobicContact CD2-CG2 4.06Å; F456-V460 HydrophobicContact CE1-CG2 3.73Å; F456-V460 HydrophobicContact CE2-CG2 3.65Å; F456-V460 HydrophobicContact CG-CG2 4.27Å; F456-V460 HydrophobicContact CZ-CG2 3.48Å; F456-V460 VanDerWaalsContact CZ-CG2 3.48Å; F456-V460 WeakPolarHBondContact O-CB 3.04Å; F456-V460 WeakPolarHBondContact O-CG2 3.36Å; F456-V460 PolarHBondContact O-N 3.37Å; Q457-V460 PolarHBondContact O-N 3.39Å; V460-V462 VanDerWaalsContact C-N 3.33Å; V460-V462 PolarHBondContact O-N 3.14Å; V460-M463 PolarHBondContact O-N 3.12Å; V460-V464 HydrophobicContact CG1-CG2 3.51Å; V460-V464 WeakPolarHBondContact O-CG2 3.16Å; V460-V464 PolarHBondContact O-N 3.24Å; V460-R466 HydrophobicContact CG1-CB 4.08Å
461	L	84.8	Confident	84.1	Confident	74 Å²	74	38.3 Å²	38.3	39%	0.387	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-43.7	169.1	172.1	58	0	0	0	111.8	Q457 F459 G465 R466 Q467	Q457-L461 WeakPolarHBondContact O-CB 3.19Å; Q457-L461 PolarHBondContact O-N 2.74Å; F459-L461 VanDerWaalsContact C-N 3.26Å; F459-L461 PolarHBondContact O-N 2.89Å; L461-G465 WeakPolarHBondContact O-CA 3.09Å; L461-G465 PolarHBondContact O-N 3.45Å; L461-R466 WeakPolarHBondContact CA-O 3.35Å; L461-Q467 HydrophobicContact CD1-CG 4.07Å
462	V	91.3	Very high	83.3	Confident	52 Å²	52	37.8 Å²	37.8	32%	0.315	20%	0.197	S	C	.	.	H	α-helix	trans	-77.8	-38.3	178.2	-174.9	0	0	0	0	111.7	A315 F459 V460 A805	A315-V462 HydrophobicContact CB-CB 3.6Å; A315-V462 HydrophobicContact CB-CG1 3.73Å; A315-V462 HydrophobicContact CB-CG2 3.83Å; F459-V462 PolarHBondContact O-N 3.39Å; V460-V462 VanDerWaalsContact C-N 3.33Å; V460-V462 PolarHBondContact O-N 3.14Å; V462-A805 WeakPolarHBondContact O-CB 3.42Å
463	M	88.7	Confident	82.2	Confident	15 Å²	15	41.2 Å²	41.2	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-38.3	-178.3	-64.8	-54.8	-60.2	0	0	113.7	L295 Y302 Q312 F459 V460 A805	L295-M463 HydrophobicContact CD2-CE 4.28Å; L295-M463 HydrophobicContact CD2-SD 4.45Å; Y302-M463 HydrophobicContact CD1-CE 4.46Å; Y302-M463 HydrophobicContact CE1-CE 4.05Å; Y302-M463 HydrophobicContact CE2-CE 4.35Å; Q312-M463 HydrophobicContact CB-CE 4.15Å; Q312-M463 HydrophobicContact CB-SD 3.64Å; Q312-M463 HydrophobicContact CG-CE 4.1Å; Q312-M463 HydrophobicContact CG-SD 3.73Å; F459-M463 HydrophobicContact CD1-CG 4.38Å; F459-M463 HydrophobicContact CD2-CG 3.97Å; F459-M463 HydrophobicContact CE1-CG 3.93Å; F459-M463 HydrophobicContact CE2-CG 3.46Å; F459-M463 VanDerWaalsContact CE2-CG 3.46Å; F459-M463 HydrophobicContact CE2-SD 3.72Å; F459-M463 HydrophobicContact CG-CG 4.4Å; F459-M463 HydrophobicContact CZ-CG 3.44Å; F459-M463 VanDerWaalsContact CZ-CG 3.44Å; F459-M463 HydrophobicContact CZ-SD 3.97Å; F459-M463 PolarHBondContact O-N 3.06Å; V460-M463 PolarHBondContact O-N 3.12Å; M463-A805 CarbonylContact O-C 3.53Å; M463-A805 WeakPolarHBondContact O-CB 3.13Å
464	V	81.9	Confident	81.2	Confident	15 Å²	15	40.7 Å²	40.7	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-139.2	6.5	-173.4	-53.9	0	0	0	0	114.9	S201 V460 R466 A806	S201-V464 WeakPolarHBondContact CB-O 3.3Å; V460-V464 HydrophobicContact CG1-CG2 3.51Å; V460-V464 WeakPolarHBondContact O-CG2 3.16Å; V460-V464 PolarHBondContact O-N 3.24Å; V464-R466 VanDerWaalsContact C-N 3.28Å; V464-R466 HydrophobicContact CG2-CB 4.1Å; V464-R466 PolarHBondContact O-N 2.9Å; V464-A806 HydrophobicContact CB-CB 3.95Å; V464-A806 HydrophobicContact CG1-CB 4.43Å
465	G	78.5	Confident	80.4	Confident	14 Å²	14	39.4 Å²	39.4	14%	0.144	20%	0.202	C	C	.	.			trans	73.5	9.3	178.1	0	0	0	0	0	115.7	L461 Q467 K803	L461-G465 WeakPolarHBondContact O-CA 3.09Å; L461-G465 PolarHBondContact O-N 3.45Å; G465-Q467 PolarHBondContact O-N 2.91Å; G465-K803 WeakPolarHBondContact O-CD 3.39Å; G465-K803 WeakPolarHBondContact O-CE 3.4Å; G465-K803 PolarHBondContact O-NZ 3.28Å
466	R	80.7	Confident	79.6	Confident	10 Å²	10	41.3 Å²	41.3	4%	0.038	21%	0.214	C	C	.	.			trans	-67.9	116.4	177.9	-166.1	-177.5	73.4	-150.9	-2.8	109	D199 Q457 V460 L461 V464 S468 V790	D199-R466 WeakPolarHBondContact O-CD 3.41Å; Q457-R466 PolarHBondContact NE2-O 3.26Å; Q457-R466 VanDerWaalsContact OE1-NE 3.08Å; V460-R466 HydrophobicContact CG1-CB 4.08Å; L461-R466 WeakPolarHBondContact CA-O 3.35Å; V464-R466 VanDerWaalsContact C-N 3.28Å; V464-R466 HydrophobicContact CG2-CB 4.1Å; V464-R466 PolarHBondContact O-N 2.9Å; R466-S468 WeakPolarHBondContact CG-O 3.22Å; R466-S468 PolarHBondContact NE-O 3.46Å; R466-V790 PolarHBondContact NH1-O 3.12Å
467	Q	75	Confident	78.7	Confident	120 Å²	120	41.7 Å²	41.7	56%	0.561	22%	0.222	S	C	*	.			trans	-85	-32.9	-171.2	-73.7	177.1	-16.1	0	0	113.7	E198 Q457 L461 G465	E198-Q467 HydrophobicContact CB-CB 4.03Å; E198-Q467 HydrophobicContact CG-CB 4.41Å; E198-Q467 WeakPolarHBondContact O-CA 3.39Å; E198-Q467 PolarHBondContact O-N 3.39Å; Q457-Q467 PolarHBondContact NE2-O 2.66Å; Q457-Q467 VanDerWaalsContact NE2-O 3.14Å; L461-Q467 HydrophobicContact CD1-CG 4.07Å; G465-Q467 PolarHBondContact O-N 2.91Å
468	S	74.8	Confident	77.6	Confident	37 Å²	37	43 Å²	43	26%	0.259	23%	0.231	S	C	.	.	S	Bend	trans	-129.1	168.1	177.7	72.6	0	0	0	0	113.1	E198 D199 Q457 R466	E198-S468 VanDerWaalsContact C-OG 3.31Å; E198-S468 WeakPolarHBondContact CB-OG 3.42Å; E198-S468 PolarHBondContact O-N 3.01Å; D199-S468 WeakPolarHBondContact CA-OG 3.12Å; D199-S468 PolarHBondContact N-OG 2.92Å; Q457-S468 PolarHBondContact NE2-O 2.8Å; Q457-S468 PolarHBondContact OE1-O 3.31Å; R466-S468 WeakPolarHBondContact CG-O 3.22Å; R466-S468 PolarHBondContact NE-O 3.46Å
469	R	75.9	Confident	76.8	Confident	60 Å²	60	39.4 Å²	39.4	23%	0.226	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-83.8	133.5	-178.7	-68.4	-176.2	-71.9	147.8	-5.5	110.5	E450 D453 Q457	E450-R469 VanDerWaalsContact CG-NH1 3.34Å; E450-R469 IonicContact OE1-CZ 3.6Å; E450-R469 IonicContact OE1-NH1 3.35Å; E450-R469 IonicContact OE1-NH2 3.93Å; E450-R469 PolarHBondContact OE1-NH2 3.36Å; D453-R469 WeakPolarHBondContact O-CD 3.19Å; D453-R469 IonicContact OD2-NH1 3.53Å; D453-R469 PolarHBondContact OD2-NH1 3.47Å; Q457-R469 HydrophobicContact CB-CG 3.64Å; Q457-R469 HydrophobicContact CG-CG 3.65Å
470	P	68.4	Low	76.1	Confident	15 Å²	15	41.9 Å²	41.9	10%	0.097	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-57.5	156.4	173.1	25.3	-34.3	0	0	0	111.7	R472 K474	P470-R472 PolarHBondContact O-N 3.38Å; P470-K474 HydrophobicContact CB-CB 4.2Å; P470-K474 HydrophobicContact CB-CD 3.95Å
471	A	70.5	Confident	75.4	Confident	22 Å²	22	42.7 Å²	42.7	18%	0.182	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59.4	131.8	172.8	0	0	0	0	0	109.8	W473 K474	A471-W473 PolarHBondContact O-N 3.35Å; A471-K474 WeakPolarHBondContact O-CA 3.48Å; A471-K474 VanDerWaalsContact O-CB 3.3Å; A471-K474 WeakPolarHBondContact O-CB 3.47Å; A471-K474 PolarHBondContact O-N 2.78Å
472	R	74.6	Confident	74.7	Confident	53 Å²	53	40.6 Å²	40.6	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-53.1	-27.9	-169.1	-170.8	69	-177.3	-167.5	9.7	114.1	S446 D453 P470 K474 T475 C476	S446-R472 PolarHBondContact O-NH2 2.9Å; D453-R472 IonicContact OD1-NH1 2.68Å; D453-R472 PolarHBondContact OD1-NH1 3.34Å; D453-R472 IonicContact OD2-NH1 3.88Å; D453-R472 PolarHBondContact OD2-NH1 2.76Å; P470-R472 PolarHBondContact O-N 3.38Å; R472-K474 VanDerWaalsContact C-N 3.34Å; R472-K474 PolarHBondContact O-N 2.79Å; R472-T475 WeakPolarHBondContact O-CB 3.27Å; R472-T475 PolarHBondContact O-N 2.72Å; R472-C476 PolarHBondContact O-N 2.94Å; R472-C476 PolarHBondContact O-SG 3.48Å; R472-C476 VanDerWaalsContact O-SG 3.35Å
473	W	69.1	Low	74.1	Confident	73 Å²	73	39.8 Å²	39.8	28%	0.277	22%	0.223	S	C	.	.	H	α-helix	trans	-64.4	-33.2	173.9	74.2	-102.2	0	0	0	113.7	R210 A471 T475 C476 V477	R210-W473 VanDerWaalsContact CZ-CD2 3.42Å; R210-W473 VanDerWaalsContact CZ-CG 3.48Å; R210-W473 VanDerWaalsContact NH2-CE3 3.27Å; A471-W473 PolarHBondContact O-N 3.35Å; W473-T475 PolarHBondContact O-N 3.5Å; W473-C476 PolarHBondContact O-N 3.25Å; W473-V477 HydrophobicContact CE3-CG2 4.31Å; W473-V477 WeakPolarHBondContact O-CB 3.19Å; W473-V477 WeakPolarHBondContact O-CG2 3.3Å; W473-V477 PolarHBondContact O-N 3.28Å
474	K	64.4	Low	73.8	Confident	21 Å²	21	41.7 Å²	41.7	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-21.7	172.3	-66.1	-174.2	177.6	-179.7	0	111.6	D199 P470 A471 R472 P478	D199-K474 IonicContact OD1-NZ 2.81Å; D199-K474 IonicContact OD2-NZ 2.67Å; D199-K474 PolarHBondContact OD2-NZ 2.73Å; P470-K474 HydrophobicContact CB-CB 4.2Å; P470-K474 HydrophobicContact CB-CD 3.95Å; A471-K474 WeakPolarHBondContact O-CA 3.48Å; A471-K474 VanDerWaalsContact O-CB 3.3Å; A471-K474 WeakPolarHBondContact O-CB 3.47Å; A471-K474 PolarHBondContact O-N 2.78Å; R472-K474 VanDerWaalsContact C-N 3.34Å; R472-K474 PolarHBondContact O-N 2.79Å; K474-P478 WeakPolarHBondContact O-CD 3.14Å; K474-P478 VanDerWaalsContact O-CG 3.3Å; K474-P478 WeakPolarHBondContact O-CG 3.15Å
475	T	70.9	Confident	73.6	Confident	47 Å²	47	41.6 Å²	41.6	29%	0.288	23%	0.231	S	C	.	.	H	α-helix	trans	-89.1	-42.7	173.5	-44.2	0	0	0	0	111.7	R472 W473	R472-T475 WeakPolarHBondContact O-CB 3.27Å; R472-T475 PolarHBondContact O-N 2.72Å; W473-T475 PolarHBondContact O-N 3.5Å
476	C	76.6	Confident	73.8	Confident	44 Å²	44	41 Å²	41	30%	0.297	22%	0.224	S	C	.	.	H	α-helix	trans	-72.6	-40.7	-176.8	-63.5	0	0	0	0	113.7	R472 W473 A479 V480	R472-C476 PolarHBondContact O-N 2.94Å; R472-C476 PolarHBondContact O-SG 3.48Å; R472-C476 VanDerWaalsContact O-SG 3.35Å; W473-C476 PolarHBondContact O-N 3.25Å; C476-A479 WeakPolarHBondContact O-CB 3.49Å; C476-A479 PolarHBondContact O-N 3.38Å; C476-V480 PolarHBondContact O-N 3.38Å; C476-V480 VanDerWaalsContact O-N 3.15Å
477	V	72.4	Confident	74.1	Confident	69 Å²	69	41.5 Å²	41.5	42%	0.418	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-47.6	-177.5	168.3	0	0	0	0	111.4	W473 A479 V480 V481	W473-V477 HydrophobicContact CE3-CG2 4.31Å; W473-V477 WeakPolarHBondContact O-CB 3.19Å; W473-V477 WeakPolarHBondContact O-CG2 3.3Å; W473-V477 PolarHBondContact O-N 3.28Å; V477-A479 VanDerWaalsContact C-N 3.29Å; V477-A479 PolarHBondContact O-N 2.88Å; V477-V480 PolarHBondContact O-N 3.35Å; V477-V481 HydrophobicContact CG1-CG2 4.29Å; V477-V481 WeakPolarHBondContact O-CG2 3.23Å; V477-V481 PolarHBondContact O-N 2.81Å
478	P	63.8	Low	74.3	Confident	41 Å²	41	36.9 Å²	36.9	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-69.7	-20.2	176.8	-23.4	37.5	0	0	0	114.9	K474 G482 P789	K474-P478 WeakPolarHBondContact O-CD 3.14Å; K474-P478 VanDerWaalsContact O-CG 3.3Å; K474-P478 WeakPolarHBondContact O-CG 3.15Å; P478-G482 WeakPolarHBondContact O-CA 3.29Å; P478-G482 PolarHBondContact O-N 3.14Å; P478-P789 HydrophobicContact CB-CB 3.19Å; P478-P789 HydrophobicContact CB-CG 3.59Å; P478-P789 HydrophobicContact CG-CB 3.49Å; P478-P789 VanDerWaalsContact CG-CB 3.49Å; P478-P789 HydrophobicContact CG-CG 4.43Å
479	A	73	Confident	74.2	Confident	20 Å²	20	35.1 Å²	35.1	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-42.8	169.7	0	0	0	0	0	111	C476 V477 G482 W483	C476-A479 WeakPolarHBondContact O-CB 3.49Å; C476-A479 PolarHBondContact O-N 3.38Å; V477-A479 VanDerWaalsContact C-N 3.29Å; V477-A479 PolarHBondContact O-N 2.88Å; A479-G482 CarbonylContact O-C 3.22Å; A479-G482 WeakPolarHBondContact O-CA 3.31Å; A479-G482 PolarHBondContact O-N 2.88Å; A479-W483 HydrophobicContact CB-CH2 4.06Å; A479-W483 HydrophobicContact CB-CZ2 4.38Å; A479-W483 HydrophobicContact CB-CZ3 4.16Å; A479-W483 VanDerWaalsContact O-CD2 3.28Å; A479-W483 PolarHBondContact O-N 2.71Å
480	V	77	Confident	74.6	Confident	65 Å²	65	32.9 Å²	32.9	39%	0.394	19%	0.193	S	C	.	.	H	α-helix	trans	-70.1	-43.2	176.3	-178.9	0	0	0	0	111.9	C476 V477 G482 W483 M484 T488	C476-V480 PolarHBondContact O-N 3.38Å; C476-V480 VanDerWaalsContact O-N 3.15Å; V477-V480 PolarHBondContact O-N 3.35Å; V480-G482 PolarHBondContact O-N 3.38Å; V480-W483 PolarHBondContact O-N 3.49Å; V480-M484 PolarHBondContact O-N 3.42Å; V480-T488 HydrophobicContact CG1-CG2 3.97Å
481	V	70.3	Confident	75.2	Confident	30 Å²	30	37.4 Å²	37.4	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-35.2	170	175.7	0	0	0	0	110.6	V477 E485 T488	V477-V481 HydrophobicContact CG1-CG2 4.29Å; V477-V481 WeakPolarHBondContact O-CG2 3.23Å; V477-V481 PolarHBondContact O-N 2.81Å; V481-E485 WeakPolarHBondContact O-CA 3.18Å; V481-E485 WeakPolarHBondContact O-CB 3.31Å; V481-E485 PolarHBondContact O-N 2.68Å; V481-T488 HydrophobicContact CG2-CG2 4.02Å
482	G	71.2	Confident	75.3	Confident	29 Å²	29	38.6 Å²	38.6	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-57.3	-57.3	170.6	0	0	0	0	0	112	P478 A479 V480 R624	P478-G482 WeakPolarHBondContact O-CA 3.29Å; P478-G482 PolarHBondContact O-N 3.14Å; A479-G482 CarbonylContact O-C 3.22Å; A479-G482 WeakPolarHBondContact O-CA 3.31Å; A479-G482 PolarHBondContact O-N 2.88Å; V480-G482 PolarHBondContact O-N 3.38Å; G482-R624 PolarHBondContact O-NH1 3.08Å; G482-R624 PolarHBondContact O-NH2 3.46Å
483	W	78.2	Confident	75.2	Confident	35 Å²	35	36.6 Å²	36.6	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-76.9	-35.6	-174.7	-59.4	-45.3	0	0	0	114.8	A479 V480 Y572 V575 S576 A579	A479-W483 HydrophobicContact CB-CH2 4.06Å; A479-W483 HydrophobicContact CB-CZ2 4.38Å; A479-W483 HydrophobicContact CB-CZ3 4.16Å; A479-W483 VanDerWaalsContact O-CD2 3.28Å; A479-W483 PolarHBondContact O-N 2.71Å; V480-W483 PolarHBondContact O-N 3.49Å; W483-Y572 HydrophobicContact CH2-CD2 4.46Å; W483-Y572 AromaticContact CH2-CE2 3.67Å; W483-Y572 HydrophobicContact CH2-CE2 3.67Å; W483-Y572 AromaticContact CH2-CZ 3.95Å; W483-Y572 HydrophobicContact CZ3-CE2 4.04Å; W483-V575 HydrophobicContact CE3-CG1 4.42Å; W483-V575 HydrophobicContact CZ3-CG1 4.08Å; W483-S576 VanDerWaalsContact CH2-OG 3.24Å; W483-S576 WeakPolarHBondContact CH2-OG 3.21Å; W483-S576 WeakPolarHBondContact CZ2-OG 3.43Å; W483-A579 HydrophobicContact CB-CB 3.96Å; W483-A579 HydrophobicContact CD2-CB 3.86Å; W483-A579 HydrophobicContact CG-CB 3.54Å
484	M	82.3	Confident	75.7	Confident	55 Å²	55	40 Å²	40	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	-123.1	46	-169.8	-61.3	-173.2	76	0	0	112	V480 M486 A487 T488 Y561 L564	V480-M484 PolarHBondContact O-N 3.42Å; M484-M486 VanDerWaalsContact C-N 3.3Å; M484-M486 PolarHBondContact O-N 3.36Å; M484-M486 VanDerWaalsContact O-N 3.13Å; M484-A487 HydrophobicContact CB-CB 4.35Å; M484-A487 HydrophobicContact CE-CB 4.43Å; M484-A487 PolarHBondContact O-N 3.49Å; M484-T488 PolarHBondContact O-N 3.33Å; M484-T488 PolarHBondContact O-OG1 2.73Å; M484-Y561 WeakPolarHBondContact CA-OH 3.34Å; M484-Y561 HydrophobicContact CB-CE1 4.26Å; M484-Y561 HydrophobicContact CE-CD1 4.39Å; M484-Y561 HydrophobicContact CE-CG 4.45Å; M484-Y561 HydrophobicContact CG-CE1 4.26Å; M484-Y561 PolarHBondContact O-OH 2.69Å; M484-L564 HydrophobicContact CG-CD2 4.36Å
485	E	77.4	Confident	76	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.065	25%	0.25	C	C	.	.	H	α-helix	trans	-50.9	-37.8	-169.8	72.3	-153.8	131	0	0	116	V481 T488 G489 Y561 S603 R624	V481-E485 WeakPolarHBondContact O-CA 3.18Å; V481-E485 WeakPolarHBondContact O-CB 3.31Å; V481-E485 PolarHBondContact O-N 2.68Å; E485-T488 PolarHBondContact O-OG1 2.77Å; E485-G489 PolarHBondContact O-N 3.14Å; E485-Y561 PolarHBondContact N-OH 3.28Å; E485-S603 WeakPolarHBondContact O-CA 3.09Å; E485-S603 VanDerWaalsContact O-CB 3.29Å; E485-S603 WeakPolarHBondContact O-CB 3.07Å; E485-S603 PolarHBondContact O-OG 2.71Å; E485-R624 IonicContact OE1-CZ 3.68Å; E485-R624 IonicContact OE1-NE 3.82Å; E485-R624 IonicContact OE1-NH2 2.78Å; E485-R624 PolarHBondContact OE1-NH2 3.06Å; E485-R624 IonicContact OE2-NH2 3.28Å; E485-R624 PolarHBondContact OE2-NH2 3.4Å
486	M	84.2	Confident	75.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-82	-35	-179.7	-59	-59.8	176.1	0	0	111.7	M484 G489 A490 P548 F550 I551 L557 Y560 Y561 F600	M484-M486 VanDerWaalsContact C-N 3.3Å; M484-M486 PolarHBondContact O-N 3.36Å; M484-M486 VanDerWaalsContact O-N 3.13Å; M486-G489 PolarHBondContact O-N 2.9Å; M486-A490 PolarHBondContact O-N 2.97Å; M486-P548 HydrophobicContact SD-CG 3.93Å; M486-F550 HydrophobicContact CB-CZ 4.34Å; M486-F550 HydrophobicContact CG-CZ 3.99Å; M486-F550 HydrophobicContact SD-CZ 4.31Å; M486-I551 HydrophobicContact CB-CG2 4.04Å; M486-I551 HydrophobicContact SD-CG2 4.44Å; M486-L557 HydrophobicContact CB-CD1 3.92Å; M486-Y560 HydrophobicContact CB-CD1 4.4Å; M486-Y560 HydrophobicContact CB-CE1 4.17Å; M486-Y560 HydrophobicContact CG-CD1 4.29Å; M486-Y560 HydrophobicContact CG-CE1 3.65Å; M486-Y560 HydrophobicContact CG-CE2 4.14Å; M486-Y561 HydrophobicContact CB-CE2 4.34Å; M486-Y561 WeakPolarHBondContact CB-OH 3.06Å; M486-Y561 PolarHBondContact N-OH 3.01Å; M486-F600 HydrophobicContact CE-CB 4.42Å; M486-F600 WeakPolarHBondContact CE-O 3.42Å
487	A	87	Confident	75.5	Confident	21 Å²	21	46.1 Å²	46.1	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-71.9	-42.4	175.6	0	0	0	0	0	112	M484 G489 A490 L491 Y561	M484-A487 HydrophobicContact CB-CB 4.35Å; M484-A487 HydrophobicContact CE-CB 4.43Å; M484-A487 PolarHBondContact O-N 3.49Å; A487-G489 PolarHBondContact O-N 3.21Å; A487-A490 PolarHBondContact O-N 3.09Å; A487-L491 WeakPolarHBondContact O-CG 3.33Å; A487-L491 PolarHBondContact O-N 3.35Å; A487-Y561 HydrophobicContact CB-CD2 4.49Å; A487-Y561 HydrophobicContact CB-CE2 3.76Å; A487-Y561 PolarHBondContact N-OH 3.24Å
488	T	78.7	Confident	75.6	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-31.1	170.2	57.6	0	0	0	0	111.7	V480 V481 M484 E485 Y492	V480-T488 HydrophobicContact CG1-CG2 3.97Å; V481-T488 HydrophobicContact CG2-CG2 4.02Å; M484-T488 PolarHBondContact O-N 3.33Å; M484-T488 PolarHBondContact O-OG1 2.73Å; E485-T488 PolarHBondContact O-OG1 2.77Å; T488-Y492 WeakPolarHBondContact O-CB 3.16Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.1Å
489	G	73.5	Confident	76.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-48.6	171.4	0	0	0	0	0	113	E485 M486 A487 L491 Y492 V493	E485-G489 PolarHBondContact O-N 3.14Å; M486-G489 PolarHBondContact O-N 2.9Å; A487-G489 PolarHBondContact O-N 3.21Å; G489-L491 PolarHBondContact O-N 2.7Å; G489-Y492 PolarHBondContact O-N 3.02Å; G489-V493 VanDerWaalsContact O-CG2 3.32Å; G489-V493 WeakPolarHBondContact O-CG2 3.47Å; G489-V493 PolarHBondContact O-N 3.46Å
490	A	83.1	Confident	76.5	Confident	13 Å²	13	53.1 Å²	53.1	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-50.4	178.8	0	0	0	0	0	111.4	M486 A487 Y492 V493 E494 I551 L557	M486-A490 PolarHBondContact O-N 2.97Å; A487-A490 PolarHBondContact O-N 3.09Å; A490-Y492 VanDerWaalsContact C-N 3.29Å; A490-Y492 PolarHBondContact O-N 3.01Å; A490-V493 PolarHBondContact O-N 3.18Å; A490-E494 WeakPolarHBondContact O-CB 3.44Å; A490-E494 PolarHBondContact O-N 3.31Å; A490-I551 HydrophobicContact CB-CB 4.1Å; A490-I551 HydrophobicContact CB-CD1 4.27Å; A490-I551 HydrophobicContact CB-CG1 4.17Å; A490-L557 HydrophobicContact CB-CD2 3.87Å
491	L	80.1	Confident	76.4	Confident	110 Å²	110	51.1 Å²	51.1	58%	0.576	27%	0.267	S	S	*	.	H	α-helix	trans	-60.1	-37.2	177.6	-67.3	170.6	0	0	0	112.6	A487 G489 S495	A487-L491 WeakPolarHBondContact O-CG 3.33Å; A487-L491 PolarHBondContact O-N 3.35Å; G489-L491 PolarHBondContact O-N 2.7Å; L491-S495 VanDerWaalsContact O-CB 3.29Å; L491-S495 WeakPolarHBondContact O-CB 3.41Å; L491-S495 PolarHBondContact O-N 3.49Å; L491-S495 PolarHBondContact O-OG 2.92Å
492	Y	73	Confident	76.7	Confident	46 Å²	46	50.8 Å²	50.8	18%	0.18	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-46.6	176.1	-178.5	-91.9	0	0	0	111.7	T488 G489 A490 S495 H496 A605 A640 Q644	T488-Y492 WeakPolarHBondContact O-CB 3.16Å; T488-Y492 PolarHBondContact O-N 2.83Å; T488-Y492 VanDerWaalsContact O-N 3.1Å; G489-Y492 PolarHBondContact O-N 3.02Å; A490-Y492 VanDerWaalsContact C-N 3.29Å; A490-Y492 PolarHBondContact O-N 3.01Å; Y492-S495 PolarHBondContact O-N 2.74Å; Y492-H496 HydrophobicContact CD2-CB 4.42Å; Y492-H496 AromaticContact CD2-CD2 3.64Å; Y492-H496 HydrophobicContact CE1-CB 4.29Å; Y492-H496 HydrophobicContact CE2-CB 3.99Å; Y492-H496 AromaticContact CE2-CD2 3.6Å; Y492-H496 WeakPolarHBondContact O-CB 3.31Å; Y492-H496 PolarHBondContact O-N 2.69Å; Y492-A605 HydrophobicContact CD1-CB 4.36Å; Y492-A605 HydrophobicContact CD2-CB 4.32Å; Y492-A605 HydrophobicContact CG-CB 3.88Å; Y492-A640 HydrophobicContact CD1-CB 3.86Å; Y492-A640 HydrophobicContact CE1-CB 3.7Å; Y492-Q644 PolarHBondContact OH-NE2 3.43Å
493	V	72.5	Confident	77.2	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-49.3	178.4	169.2	0	0	0	0	110.9	G489 A490 S495 H496 F497 Y547 I551 P604 A640	G489-V493 VanDerWaalsContact O-CG2 3.32Å; G489-V493 WeakPolarHBondContact O-CG2 3.47Å; G489-V493 PolarHBondContact O-N 3.46Å; A490-V493 PolarHBondContact O-N 3.18Å; V493-S495 PolarHBondContact O-N 2.88Å; V493-H496 PolarHBondContact O-N 3.04Å; V493-F497 HydrophobicContact CB-CB 4.36Å; V493-F497 HydrophobicContact CG1-CB 4.15Å; V493-F497 HydrophobicContact CG1-CD1 4.45Å; V493-F497 HydrophobicContact CG2-CB 4.49Å; V493-F497 WeakPolarHBondContact O-CB 3.39Å; V493-F497 PolarHBondContact O-N 2.76Å; V493-F497 VanDerWaalsContact O-N 3.11Å; V493-Y547 HydrophobicContact CB-CD1 4.38Å; V493-Y547 HydrophobicContact CG1-CD1 3.63Å; V493-Y547 HydrophobicContact CG1-CE1 3.68Å; V493-Y547 HydrophobicContact CG1-CG 4.16Å; V493-Y547 HydrophobicContact CG2-CD1 3.74Å; V493-Y547 HydrophobicContact CG2-CG 4Å; V493-I551 HydrophobicContact CG2-CD1 4.4Å; V493-P604 HydrophobicContact CG2-CB 3.72Å; V493-P604 HydrophobicContact CG2-CG 4.47Å; V493-A640 HydrophobicContact CG2-CB 3.84Å
494	E	79.4	Confident	77.2	Confident	143 Å²	143	56.2 Å²	56.2	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-58.2	-31.6	177.6	-174.9	175.2	-146.5	0	0	112.7	A490	A490-E494 WeakPolarHBondContact O-CB 3.44Å; A490-E494 PolarHBondContact O-N 3.31Å
495	S	71.5	Confident	76.9	Confident	77 Å²	77	53.7 Å²	53.7	54%	0.538	27%	0.27	S	S	.	.	H	α-helix	trans	-95.3	-27.3	-175.2	-56.6	0	0	0	0	115	L491 Y492 V493	L491-S495 VanDerWaalsContact O-CB 3.29Å; L491-S495 WeakPolarHBondContact O-CB 3.41Å; L491-S495 PolarHBondContact O-N 3.49Å; L491-S495 PolarHBondContact O-OG 2.92Å; Y492-S495 PolarHBondContact O-N 2.74Å; V493-S495 PolarHBondContact O-N 2.88Å
496	H	69.2	Low	77.1	Confident	134 Å²	134	55.7 Å²	55.7	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-139.5	-10.9	-161.8	-62	-44.2	0	0	0	115.9	Y492 V493	Y492-H496 HydrophobicContact CD2-CB 4.42Å; Y492-H496 AromaticContact CD2-CD2 3.64Å; Y492-H496 HydrophobicContact CE1-CB 4.29Å; Y492-H496 HydrophobicContact CE2-CB 3.99Å; Y492-H496 AromaticContact CE2-CD2 3.6Å; Y492-H496 WeakPolarHBondContact O-CB 3.31Å; Y492-H496 PolarHBondContact O-N 2.69Å; V493-H496 PolarHBondContact O-N 3.04Å
497	F	68.2	Low	77.1	Confident	31 Å²	31	57.7 Å²	57.7	14%	0.136	30%	0.3	C	S	.	.			trans	-97.5	132.5	-176	-170.4	-108.1	0	0	0	112.9	V493 K502 Y547 A640 L643	V493-F497 HydrophobicContact CB-CB 4.36Å; V493-F497 HydrophobicContact CG1-CB 4.15Å; V493-F497 HydrophobicContact CG1-CD1 4.45Å; V493-F497 HydrophobicContact CG2-CB 4.49Å; V493-F497 WeakPolarHBondContact O-CB 3.39Å; V493-F497 PolarHBondContact O-N 2.76Å; V493-F497 VanDerWaalsContact O-N 3.11Å; F497-K502 HydrophobicContact CE1-CB 3.88Å; F497-K502 HydrophobicContact CE1-CD 4.19Å; F497-K502 HydrophobicContact CE1-CG 4.38Å; F497-K502 HydrophobicContact CZ-CB 3.77Å; F497-K502 HydrophobicContact CZ-CG 4.29Å; F497-Y547 HydrophobicContact CD1-CD1 4.08Å; F497-Y547 AromaticContact CD1-CE1 3.65Å; F497-Y547 HydrophobicContact CD1-CE1 3.65Å; F497-Y547 HydrophobicContact CE1-CD1 4.16Å; F497-Y547 AromaticContact CE1-CE1 3.68Å; F497-Y547 HydrophobicContact CE1-CE1 3.68Å; F497-A640 HydrophobicContact CB-CB 3.91Å; F497-A640 HydrophobicContact CD2-CB 3.34Å; F497-A640 HydrophobicContact CE2-CB 4.01Å; F497-A640 HydrophobicContact CG-CB 3.71Å; F497-L643 HydrophobicContact CE2-CB 4.07Å; F497-L643 HydrophobicContact CE2-CD1 3.86Å; F497-L643 HydrophobicContact CZ-CD1 4.12Å
498	N	73.5	Confident	76.9	Confident	78 Å²	78	57.2 Å²	57.2	42%	0.417	29%	0.294	S	S	.	.			trans	-97.8	119.8	176	170.7	20.8	0	0	0	110.3	K500 D501	N498-K500 VanDerWaalsContact C-N 3.26Å; N498-K500 PolarHBondContact O-N 3.09Å; N498-K500 PolarHBondContact OD1-N 3.45Å; N498-K500 VanDerWaalsContact OD1-N 3.12Å; N498-D501 HydrophobicContact CB-CB 4.37Å; N498-D501 VanDerWaalsContact CB-OD2 3.31Å; N498-D501 WeakPolarHBondContact CB-OD2 3.2Å; N498-D501 PolarHBondContact ND2-OD1 3.22Å; N498-D501 PolarHBondContact ND2-OD2 3.28Å; N498-D501 PolarHBondContact O-N 3.22Å
499	Q	76.6	Confident	77.1	Confident	89 Å²	89	56.1 Å²	56.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-30.2	-177.6	-169.1	68.7	0.6	0	0	113.3	D501 K502 E503 Y547	Q499-D501 VanDerWaalsContact C-N 3.27Å; Q499-D501 PolarHBondContact O-N 3.2Å; Q499-K502 WeakPolarHBondContact O-CB 3.42Å; Q499-K502 PolarHBondContact O-N 3.39Å; Q499-K502 VanDerWaalsContact O-N 3.14Å; Q499-E503 PolarHBondContact O-N 2.92Å; Q499-Y547 PolarHBondContact OE1-OH 3.15Å
500	K	80.7	Confident	77.6	Confident	110 Å²	110	59.9 Å²	59.9	48%	0.478	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-32.7	176	-176.7	175.2	179.2	-81.4	0	112.3	N498 K502 E503 E504	N498-K500 VanDerWaalsContact C-N 3.26Å; N498-K500 PolarHBondContact O-N 3.09Å; N498-K500 PolarHBondContact OD1-N 3.45Å; N498-K500 VanDerWaalsContact OD1-N 3.12Å; K500-K502 PolarHBondContact O-N 2.61Å; K500-E503 PolarHBondContact O-N 3.36Å; K500-E503 VanDerWaalsContact O-N 3.17Å; K500-E504 IonicContact NZ-OE1 2.65Å; K500-E504 PolarHBondContact NZ-OE1 3.43Å; K500-E504 PolarHBondContact O-N 3.5Å; K500-E504 VanDerWaalsContact O-N 3.13Å
501	D	74.3	Confident	77.9	Confident	22 Å²	22	62.1 Å²	62.1	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-21.8	178.2	-64.1	-30.4	0	0	0	111.4	N498 Q499 A505 F648	N498-D501 HydrophobicContact CB-CB 4.37Å; N498-D501 VanDerWaalsContact CB-OD2 3.31Å; N498-D501 WeakPolarHBondContact CB-OD2 3.2Å; N498-D501 PolarHBondContact ND2-OD1 3.22Å; N498-D501 PolarHBondContact ND2-OD2 3.28Å; N498-D501 PolarHBondContact O-N 3.22Å; Q499-D501 VanDerWaalsContact C-N 3.27Å; Q499-D501 PolarHBondContact O-N 3.2Å; D501-A505 VanDerWaalsContact O-CB 3.22Å; D501-A505 WeakPolarHBondContact O-CB 3.45Å; D501-A505 PolarHBondContact O-N 3.43Å; D501-F648 HydrophobicContact CB-CD1 4.02Å; D501-F648 HydrophobicContact CB-CE1 3.63Å; D501-F648 WeakPolarHBondContact OD1-CE1 3.48Å
502	K	76.6	Confident	78.3	Confident	24 Å²	24	56.9 Å²	56.9	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-45	167.2	-162.4	171.4	175	165.9	0	111.4	F497 Q499 K500 A505 V506 I545 Y547 E549	F497-K502 HydrophobicContact CE1-CB 3.88Å; F497-K502 HydrophobicContact CE1-CD 4.19Å; F497-K502 HydrophobicContact CE1-CG 4.38Å; F497-K502 HydrophobicContact CZ-CB 3.77Å; F497-K502 HydrophobicContact CZ-CG 4.29Å; Q499-K502 WeakPolarHBondContact O-CB 3.42Å; Q499-K502 PolarHBondContact O-N 3.39Å; Q499-K502 VanDerWaalsContact O-N 3.14Å; K500-K502 PolarHBondContact O-N 2.61Å; K502-A505 PolarHBondContact O-N 2.87Å; K502-V506 WeakPolarHBondContact O-CG2 3.45Å; K502-V506 PolarHBondContact O-N 3.35Å; K502-I545 VanDerWaalsContact CE-O 3.28Å; K502-I545 WeakPolarHBondContact CE-O 3.22Å; K502-I545 HydrophobicContact CG-CG2 4.08Å; K502-Y547 HydrophobicContact CD-CE1 4.34Å; K502-E549 IonicContact NZ-OE1 2.63Å; K502-E549 PolarHBondContact NZ-OE1 2.98Å
503	E	80.3	Confident	78.9	Confident	132 Å²	132	56.1 Å²	56.1	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-67.2	-43.3	-178.3	-62.5	174.5	176.8	0	0	111.8	Q499 K500 A505 V506 A507	Q499-E503 PolarHBondContact O-N 2.92Å; K500-E503 PolarHBondContact O-N 3.36Å; K500-E503 VanDerWaalsContact O-N 3.17Å; E503-A505 VanDerWaalsContact C-N 3.35Å; E503-V506 PolarHBondContact O-N 3.26Å; E503-A507 PolarHBondContact O-N 3.37Å
504	E	79.8	Confident	79.8	Confident	45 Å²	45	59.4 Å²	59.4	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-32.9	175	-70.8	-165.1	-133.7	0	0	112.7	K500 L508 F648 K654	K500-E504 IonicContact NZ-OE1 2.65Å; K500-E504 PolarHBondContact NZ-OE1 3.43Å; K500-E504 PolarHBondContact O-N 3.5Å; K500-E504 VanDerWaalsContact O-N 3.13Å; E504-L508 WeakPolarHBondContact O-CB 3.39Å; E504-L508 PolarHBondContact O-N 3.22Å; E504-L508 VanDerWaalsContact O-N 3.08Å; E504-F648 HydrophobicContact CB-CE1 4.41Å; E504-F648 HydrophobicContact CB-CE2 4.44Å; E504-F648 HydrophobicContact CB-CZ 3.62Å; E504-K654 IonicContact OE2-NZ 3.47Å; E504-K654 PolarHBondContact OE2-NZ 3.17Å
505	A	76.1	Confident	80.4	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-38.4	173.5	0	0	0	0	0	112.9	D501 K502 E503 L508 I509 I545 L643	D501-A505 VanDerWaalsContact O-CB 3.22Å; D501-A505 WeakPolarHBondContact O-CB 3.45Å; D501-A505 PolarHBondContact O-N 3.43Å; K502-A505 PolarHBondContact O-N 2.87Å; E503-A505 VanDerWaalsContact C-N 3.35Å; A505-L508 PolarHBondContact O-N 3.15Å; A505-I509 WeakPolarHBondContact O-CD1 3.02Å; A505-I509 WeakPolarHBondContact O-CG1 3.31Å; A505-I509 PolarHBondContact O-N 3.01Å; A505-I509 VanDerWaalsContact O-N 3.08Å; A505-I545 HydrophobicContact CB-CG2 4.22Å; A505-L643 HydrophobicContact CB-CD1 4.02Å; A505-L643 HydrophobicContact CB-CD2 3.88Å
506	V	81.7	Confident	81.4	Confident	56 Å²	56	49.4 Å²	49.4	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-53.6	172.6	170.7	0	0	0	0	110.3	K502 E503 L508 I509 D510 I545	K502-V506 WeakPolarHBondContact O-CG2 3.45Å; K502-V506 PolarHBondContact O-N 3.35Å; E503-V506 PolarHBondContact O-N 3.26Å; V506-L508 VanDerWaalsContact C-N 3.25Å; V506-L508 PolarHBondContact O-N 3.05Å; V506-I509 PolarHBondContact O-N 3.36Å; V506-I509 VanDerWaalsContact O-N 3.08Å; V506-D510 PolarHBondContact O-N 2.86Å; V506-I545 HydrophobicContact CB-CD1 4.32Å; V506-I545 HydrophobicContact CG2-CD1 3.51Å
507	A	83.2	Confident	82.6	Confident	42 Å²	42	43.4 Å²	43.4	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-34	-178.7	0	0	0	0	0	112.8	E503 H511	E503-A507 PolarHBondContact O-N 3.37Å; A507-H511 PolarHBondContact O-N 3.5Å; A507-H511 VanDerWaalsContact O-N 3.11Å; A507-H511 PolarHBondContact O-ND1 3.35Å
508	L	83.2	Confident	83.8	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-42.5	174.6	-176	57.8	0	0	0	112.1	E504 A505 V506 H511 I512 Y658 I661 I665	E504-L508 WeakPolarHBondContact O-CB 3.39Å; E504-L508 PolarHBondContact O-N 3.22Å; E504-L508 VanDerWaalsContact O-N 3.08Å; A505-L508 PolarHBondContact O-N 3.15Å; V506-L508 VanDerWaalsContact C-N 3.25Å; V506-L508 PolarHBondContact O-N 3.05Å; L508-H511 PolarHBondContact O-N 3.17Å; L508-I512 HydrophobicContact CD1-CD1 3.8Å; L508-I512 HydrophobicContact CD1-CG1 4.43Å; L508-I512 HydrophobicContact CG-CD1 3.91Å; L508-I512 WeakPolarHBondContact O-CD1 3.34Å; L508-I512 VanDerWaalsContact O-CG1 3.29Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 2.79Å; L508-I512 VanDerWaalsContact O-N 3.14Å; L508-Y658 HydrophobicContact CD1-CD1 3.63Å; L508-Y658 HydrophobicContact CD1-CD2 3.84Å; L508-Y658 HydrophobicContact CD1-CE1 3.28Å; L508-Y658 HydrophobicContact CD1-CE2 3.51Å; L508-Y658 HydrophobicContact CD1-CG 3.91Å; L508-I661 HydrophobicContact CD2-CG2 3.63Å; L508-I665 HydrophobicContact CB-CD1 4.34Å; L508-I665 HydrophobicContact CD2-CD1 3.71Å; L508-I665 HydrophobicContact CG-CD1 3.71Å
509	I	82.9	Confident	84.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-43.2	177.5	-64.7	159.3	0	0	0	111.3	A505 V506 H511 I512 R513 N543 I545 F638 I665	A505-I509 WeakPolarHBondContact O-CD1 3.02Å; A505-I509 WeakPolarHBondContact O-CG1 3.31Å; A505-I509 PolarHBondContact O-N 3.01Å; A505-I509 VanDerWaalsContact O-N 3.08Å; V506-I509 PolarHBondContact O-N 3.36Å; V506-I509 VanDerWaalsContact O-N 3.08Å; I509-H511 VanDerWaalsContact C-N 3.34Å; I509-H511 PolarHBondContact O-N 3.3Å; I509-I512 PolarHBondContact O-N 3.22Å; I509-R513 WeakPolarHBondContact O-CB 3.45Å; I509-R513 PolarHBondContact O-N 2.75Å; I509-N543 WeakPolarHBondContact CG2-ND2 3.3Å; I509-I545 HydrophobicContact CD1-CD1 3.52Å; I509-I545 HydrophobicContact CD1-CG1 3.77Å; I509-F638 HydrophobicContact CD1-CD2 3.79Å; I509-F638 HydrophobicContact CD1-CE2 3.77Å; I509-F638 HydrophobicContact CG1-CE2 4.19Å; I509-I665 HydrophobicContact CB-CG2 4.29Å; I509-I665 HydrophobicContact CG1-CD1 3.69Å; I509-I665 HydrophobicContact CG1-CG1 3.9Å; I509-I665 HydrophobicContact CG1-CG2 3.88Å; I509-I665 HydrophobicContact CG2-CG2 4.35Å
510	D	83.6	Confident	85.6	Confident	80 Å²	80	37.7 Å²	37.7	43%	0.428	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-39.6	178.1	-67.4	-24	0	0	0	111.9	V506 L514	V506-D510 PolarHBondContact O-N 2.86Å; D510-L514 WeakPolarHBondContact O-CB 3.33Å; D510-L514 PolarHBondContact O-N 2.75Å; D510-L514 VanDerWaalsContact O-N 3.08Å
511	H	88.9	Confident	86.3	Confident	59 Å²	59	37.1 Å²	37.1	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-37.5	175.3	-67.5	157.9	0	0	0	113.1	A507 L508 I509 L514 A515 Y658	A507-H511 PolarHBondContact O-N 3.5Å; A507-H511 VanDerWaalsContact O-N 3.11Å; A507-H511 PolarHBondContact O-ND1 3.35Å; L508-H511 PolarHBondContact O-N 3.17Å; I509-H511 VanDerWaalsContact C-N 3.34Å; I509-H511 PolarHBondContact O-N 3.3Å; H511-L514 PolarHBondContact O-N 2.77Å; H511-A515 PolarHBondContact O-N 2.59Å; H511-Y658 WeakPolarHBondContact CB-OH 3.46Å; H511-Y658 PolarHBondContact ND1-OH 3.31Å
512	I	88.5	Confident	87.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-78.5	-39.3	-177.6	-64	165.6	0	0	0	110.7	L508 I509 L514 A515 F516 Y658 I665 I669 E739 A743	L508-I512 HydrophobicContact CD1-CD1 3.8Å; L508-I512 HydrophobicContact CD1-CG1 4.43Å; L508-I512 HydrophobicContact CG-CD1 3.91Å; L508-I512 WeakPolarHBondContact O-CD1 3.34Å; L508-I512 VanDerWaalsContact O-CG1 3.29Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 2.79Å; L508-I512 VanDerWaalsContact O-N 3.14Å; I509-I512 PolarHBondContact O-N 3.22Å; I512-L514 PolarHBondContact O-N 2.92Å; I512-A515 CarbonylContact O-C 3.54Å; I512-A515 WeakPolarHBondContact O-CA 3.44Å; I512-A515 WeakPolarHBondContact O-CB 3.41Å; I512-A515 PolarHBondContact O-N 2.95Å; I512-F516 PolarHBondContact O-N 3.35Å; I512-Y658 HydrophobicContact CD1-CD1 4.31Å; I512-Y658 HydrophobicContact CD1-CE1 4.28Å; I512-Y658 HydrophobicContact CG1-CD1 4.33Å; I512-Y658 HydrophobicContact CG1-CE1 4Å; I512-I665 HydrophobicContact CB-CG2 3.97Å; I512-I665 HydrophobicContact CD1-CB 3.83Å; I512-I665 HydrophobicContact CD1-CD1 4.18Å; I512-I665 HydrophobicContact CD1-CG2 3.76Å; I512-I665 HydrophobicContact CG1-CG2 4.47Å; I512-I665 HydrophobicContact CG2-CG2 4.01Å; I512-I669 HydrophobicContact CB-CD1 4.38Å; I512-I669 HydrophobicContact CG2-CD1 3.93Å; I512-E739 HydrophobicContact CG2-CB 3.92Å; I512-A743 HydrophobicContact CG1-CB 3.84Å
513	R	86.6	Confident	88	Confident	30 Å²	30	42.8 Å²	42.8	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-37	169.1	-175.9	-175.6	-62.8	-151.5	-1.4	112.5	I509 T517 A538 Q539 M541 N543 I669	I509-R513 WeakPolarHBondContact O-CB 3.45Å; I509-R513 PolarHBondContact O-N 2.75Å; R513-T517 WeakPolarHBondContact O-CB 3.39Å; R513-T517 PolarHBondContact O-N 3.08Å; R513-T517 PolarHBondContact O-OG1 2.74Å; R513-A538 VanDerWaalsContact CD-O 3.31Å; R513-A538 WeakPolarHBondContact CD-O 3.2Å; R513-A538 PolarHBondContact NE-O 2.78Å; R513-A538 PolarHBondContact NH1-O 2.75Å; R513-Q539 PolarHBondContact NH1-O 3.16Å; R513-M541 PolarHBondContact NH1-O 2.85Å; R513-M541 PolarHBondContact NH2-O 2.91Å; R513-N543 VanDerWaalsContact NH2-CG 3.31Å; R513-N543 PolarHBondContact NH2-ND2 3.25Å; R513-N543 PolarHBondContact NH2-OD1 2.99Å; R513-I669 HydrophobicContact CB-CD1 4.19Å
514	L	90.4	Very high	88.6	Confident	81 Å²	81	42.7 Å²	42.7	42%	0.424	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-41.4	172.3	-178.4	62.3	0	0	0	111.5	D510 H511 I512 T517 E518	D510-L514 WeakPolarHBondContact O-CB 3.33Å; D510-L514 PolarHBondContact O-N 2.75Å; D510-L514 VanDerWaalsContact O-N 3.08Å; H511-L514 PolarHBondContact O-N 2.77Å; I512-L514 PolarHBondContact O-N 2.92Å; L514-T517 WeakPolarHBondContact O-CB 3.48Å; L514-T517 PolarHBondContact O-N 2.9Å; L514-E518 HydrophobicContact CD1-CG 4.46Å; L514-E518 WeakPolarHBondContact O-CG 3.5Å; L514-E518 PolarHBondContact O-N 2.89Å
515	A	93.1	Very high	89.3	Confident	11 Å²	11	40.8 Å²	40.8	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-43.1	175.6	0	0	0	0	0	112.6	H511 I512 T517 E518 L519 E739 L742 A743	H511-A515 PolarHBondContact O-N 2.59Å; I512-A515 CarbonylContact O-C 3.54Å; I512-A515 WeakPolarHBondContact O-CA 3.44Å; I512-A515 WeakPolarHBondContact O-CB 3.41Å; I512-A515 PolarHBondContact O-N 2.95Å; A515-T517 VanDerWaalsContact C-N 3.33Å; A515-T517 PolarHBondContact O-N 3.03Å; A515-E518 PolarHBondContact O-N 3.11Å; A515-L519 VanDerWaalsContact O-CB 3.22Å; A515-L519 WeakPolarHBondContact O-CB 3.47Å; A515-L519 PolarHBondContact O-N 3.42Å; A515-E739 WeakPolarHBondContact CB-O 3.28Å; A515-L742 HydrophobicContact CB-CB 4.27Å; A515-A743 HydrophobicContact CB-CB 3.75Å
516	F	93.2	Very high	90.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.6	-47	169.5	-179.8	-96	0	0	0	111.5	I512 E518 L519 V520 A538 I669 F673 E739 W858	I512-F516 PolarHBondContact O-N 3.35Å; F516-E518 VanDerWaalsContact C-N 3.35Å; F516-E518 PolarHBondContact O-N 3.4Å; F516-L519 WeakPolarHBondContact O-CB 3.34Å; F516-L519 PolarHBondContact O-N 3.27Å; F516-V520 HydrophobicContact CD1-CG2 4.04Å; F516-V520 HydrophobicContact CD2-CG2 4.46Å; F516-V520 HydrophobicContact CE1-CG2 3.55Å; F516-V520 HydrophobicContact CE2-CG2 4.03Å; F516-V520 HydrophobicContact CG-CG2 4.46Å; F516-V520 HydrophobicContact CZ-CG2 3.54Å; F516-V520 WeakPolarHBondContact O-CG2 3.32Å; F516-V520 PolarHBondContact O-N 3.05Å; F516-A538 HydrophobicContact CD1-CB 3.68Å; F516-A538 HydrophobicContact CE1-CB 3.74Å; F516-I669 HydrophobicContact CB-CG2 3.99Å; F516-I669 HydrophobicContact CD1-CG2 4.18Å; F516-I669 HydrophobicContact CD2-CG2 3.95Å; F516-I669 HydrophobicContact CG-CG2 3.76Å; F516-F673 HydrophobicContact CD1-CE2 4.41Å; F516-F673 AromaticContact CE1-CD2 3.96Å; F516-F673 HydrophobicContact CE1-CD2 3.96Å; F516-F673 HydrophobicContact CE1-CE1 4.25Å; F516-F673 AromaticContact CE1-CE2 3.52Å; F516-F673 HydrophobicContact CE1-CE2 3.52Å; F516-F673 AromaticContact CE1-CZ 3.69Å; F516-F673 HydrophobicContact CE1-CZ 3.69Å; F516-F673 AromaticContact CE2-CD2 3.84Å; F516-F673 HydrophobicContact CE2-CD2 3.84Å; F516-F673 HydrophobicContact CE2-CE2 4.2Å; F516-F673 HydrophobicContact CE2-CG 4.33Å; F516-F673 HydrophobicContact CZ-CB 4.47Å; F516-F673 HydrophobicContact CZ-CD1 4.06Å; F516-F673 AromaticContact CZ-CD2 3.31Å; F516-F673 HydrophobicContact CZ-CD2 3.31Å; F516-F673 HydrophobicContact CZ-CE1 4.11Å; F516-F673 AromaticContact CZ-CE2 3.4Å; F516-F673 HydrophobicContact CZ-CE2 3.4Å; F516-F673 VanDerWaalsContact CZ-CE2 3.4Å; F516-F673 AromaticContact CZ-CG 3.68Å; F516-F673 HydrophobicContact CZ-CG 3.68Å; F516-F673 AromaticContact CZ-CZ 3.81Å; F516-F673 HydrophobicContact CZ-CZ 3.81Å; F516-E739 HydrophobicContact CB-CG 4.15Å; F516-E739 HydrophobicContact CD2-CG 4.33Å; F516-W858 HydrophobicContact CE2-CD2 4.4Å; F516-W858 HydrophobicContact CE2-CE3 4.19Å; F516-W858 HydrophobicContact CZ-CE3 4.27Å; F516-W858 HydrophobicContact CZ-CZ3 4.48Å
517	T	93.1	Very high	90.9	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.043	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-41.4	178.2	-62.3	0	0	0	0	112.5	R513 L514 A515 K521 I535	R513-T517 WeakPolarHBondContact O-CB 3.39Å; R513-T517 PolarHBondContact O-N 3.08Å; R513-T517 PolarHBondContact O-OG1 2.74Å; L514-T517 WeakPolarHBondContact O-CB 3.48Å; L514-T517 PolarHBondContact O-N 2.9Å; A515-T517 VanDerWaalsContact C-N 3.33Å; A515-T517 PolarHBondContact O-N 3.03Å; T517-K521 WeakPolarHBondContact O-CG 3.39Å; T517-K521 PolarHBondContact O-N 3.21Å; T517-I535 HydrophobicContact CG2-CD1 4.46Å; T517-I535 HydrophobicContact CG2-CG1 4.24Å; T517-I535 HydrophobicContact CG2-CG2 3.84Å
518	E	93.1	Very high	91.5	Very high	70 Å²	70	44.4 Å²	44.4	33%	0.327	22%	0.22	S	C	.	.	H	α-helix	trans	-76.5	-26.4	177	-67.8	-51.9	131	0	0	113.6	L514 A515 F516 K521 K522	L514-E518 HydrophobicContact CD1-CG 4.46Å; L514-E518 WeakPolarHBondContact O-CG 3.5Å; L514-E518 PolarHBondContact O-N 2.89Å; A515-E518 PolarHBondContact O-N 3.11Å; F516-E518 VanDerWaalsContact C-N 3.35Å; F516-E518 PolarHBondContact O-N 3.4Å; E518-K521 IonicContact OE1-NZ 2.89Å; E518-K521 PolarHBondContact OE1-NZ 3.24Å; E518-K521 IonicContact OE2-NZ 3.6Å; E518-K522 VanDerWaalsContact O-CD 3.27Å; E518-K522 WeakPolarHBondContact O-CD 3.39Å; E518-K522 WeakPolarHBondContact O-CE 3.39Å; E518-K522 VanDerWaalsContact O-CG 3.29Å; E518-K522 WeakPolarHBondContact O-CG 3.29Å
519	L	92.9	Very high	92.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-49.6	171.8	167.3	156.2	0	0	0	110.2	A515 F516 K521 K522 L523 K738 E739 L742 W858	A515-L519 VanDerWaalsContact O-CB 3.22Å; A515-L519 WeakPolarHBondContact O-CB 3.47Å; A515-L519 PolarHBondContact O-N 3.42Å; F516-L519 WeakPolarHBondContact O-CB 3.34Å; F516-L519 PolarHBondContact O-N 3.27Å; L519-K521 VanDerWaalsContact C-N 3.31Å; L519-K521 PolarHBondContact O-N 3.19Å; L519-K522 PolarHBondContact O-N 3.4Å; L519-L523 PolarHBondContact O-N 3.08Å; L519-K738 HydrophobicContact CD1-CD 3.9Å; L519-K738 HydrophobicContact CD1-CG 4.14Å; L519-E739 HydrophobicContact CD1-CG 4.39Å; L519-L742 HydrophobicContact CD1-CD1 4.2Å; L519-W858 WeakPolarHBondContact CD1-OXT 3.32Å; L519-W858 HydrophobicContact CD2-CB 3.97Å; L519-W858 VanDerWaalsContact CD2-OXT 3.3Å; L519-W858 WeakPolarHBondContact CD2-OXT 3.21Å; L519-W858 WeakPolarHBondContact CG-OXT 3.3Å
520	V	95	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-41	-179.7	167.4	0	0	0	0	112	F516 K522 L523 M526 K531 A534 I535 W858	F516-V520 HydrophobicContact CD1-CG2 4.04Å; F516-V520 HydrophobicContact CD2-CG2 4.46Å; F516-V520 HydrophobicContact CE1-CG2 3.55Å; F516-V520 HydrophobicContact CE2-CG2 4.03Å; F516-V520 HydrophobicContact CG-CG2 4.46Å; F516-V520 HydrophobicContact CZ-CG2 3.54Å; F516-V520 WeakPolarHBondContact O-CG2 3.32Å; F516-V520 PolarHBondContact O-N 3.05Å; V520-K522 VanDerWaalsContact C-N 3.25Å; V520-K522 PolarHBondContact O-N 3.07Å; V520-L523 PolarHBondContact O-N 3.04Å; V520-M526 HydrophobicContact CG1-CE 3.8Å; V520-K531 HydrophobicContact CG1-CB 4.08Å; V520-K531 HydrophobicContact CG1-CG 4Å; V520-K531 WeakPolarHBondContact O-CE 3.47Å; V520-A534 HydrophobicContact CG1-CB 4.23Å; V520-I535 HydrophobicContact CB-CG1 4.19Å; V520-I535 HydrophobicContact CG1-CD1 4.09Å; V520-I535 HydrophobicContact CG1-CG1 3.78Å; V520-W858 HydrophobicContact CG2-CE3 4.16Å; V520-W858 HydrophobicContact CG2-CZ3 4.21Å
521	K	95.1	Very high	93.4	Very high	98 Å²	98	47.8 Å²	47.8	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-56.6	-38.7	175.4	-70.8	169.6	-170.5	174.7	0	112.8	T517 E518 L519 K531 I535	T517-K521 WeakPolarHBondContact O-CG 3.39Å; T517-K521 PolarHBondContact O-N 3.21Å; E518-K521 IonicContact OE1-NZ 2.89Å; E518-K521 PolarHBondContact OE1-NZ 3.24Å; E518-K521 IonicContact OE2-NZ 3.6Å; L519-K521 VanDerWaalsContact C-N 3.31Å; L519-K521 PolarHBondContact O-N 3.19Å; K521-K531 PolarHBondContact O-NZ 2.95Å; K521-K531 VanDerWaalsContact O-NZ 3.09Å; K521-I535 HydrophobicContact CG-CD1 3.79Å
522	K	93.4	Very high	93.8	Very high	149 Å²	149	48.6 Å²	48.6	65%	0.648	25%	0.245	S	C	*	.	H	α-helix	trans	-82.9	-9.9	-174.5	-65.9	167.4	-168.9	168.1	0	113.9	E518 L519 V520 D524	E518-K522 VanDerWaalsContact O-CD 3.27Å; E518-K522 WeakPolarHBondContact O-CD 3.39Å; E518-K522 WeakPolarHBondContact O-CE 3.39Å; E518-K522 VanDerWaalsContact O-CG 3.29Å; E518-K522 WeakPolarHBondContact O-CG 3.29Å; L519-K522 PolarHBondContact O-N 3.4Å; V520-K522 VanDerWaalsContact C-N 3.25Å; V520-K522 PolarHBondContact O-N 3.07Å; K522-D524 PolarHBondContact O-N 3.13Å
523	L	94.2	Very high	94.1	Very high	16 Å²	16	51 Å²	51	8%	0.084	26%	0.257	C	S	.	.			trans	-61	132.5	178.8	-66.5	177.6	0	0	0	111.4	L519 V520 W525 M526 K531 W858	L519-L523 PolarHBondContact O-N 3.08Å; V520-L523 PolarHBondContact O-N 3.04Å; L523-W525 HydrophobicContact CD1-CZ2 4.05Å; L523-M526 HydrophobicContact CD1-CE 3.8Å; L523-K531 WeakPolarHBondContact O-CE 3.44Å; L523-K531 PolarHBondContact O-NZ 2.88Å; L523-W858 HydrophobicContact CD1-CE3 3.78Å; L523-W858 HydrophobicContact CD1-CZ3 4.03Å; L523-W858 WeakPolarHBondContact CD2-OXT 3.18Å
524	D	92.9	Very high	94.6	Very high	130 Å²	130	49.6 Å²	49.6	70%	0.695	25%	0.252	S	S	*	.	S	Bend	trans	-83	-26.2	-179.6	68.4	-37.4	0	0	0	112.7	K522	K522-D524 PolarHBondContact O-N 3.13Å
525	W	94.1	Very high	94.8	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.019	24%	0.237	C	C	.	.	S	Bend	trans	-93.5	-23.4	-167.8	66.5	-97.2	0	0	0	114	L523 W690 R697 F698 R701 V857 W858	L523-W525 HydrophobicContact CD1-CZ2 4.05Å; W525-W690 HydrophobicContact CH2-CH2 4.06Å; W525-W690 AromaticContact CH2-CZ3 3.77Å; W525-W690 HydrophobicContact CH2-CZ3 3.77Å; W525-W690 AromaticContact CZ3-CZ3 3.82Å; W525-W690 HydrophobicContact CZ3-CZ3 3.82Å; W525-R697 HydrophobicContact CB-CB 4.41Å; W525-R697 HydrophobicContact CE3-CB 3.85Å; W525-R697 WeakPolarHBondContact O-CD 3.36Å; W525-R697 PolarHBondContact O-NH1 2.85Å; W525-F698 HydrophobicContact CH2-CB 3.99Å; W525-F698 AromaticContact CH2-CD2 3.87Å; W525-F698 HydrophobicContact CH2-CD2 3.87Å; W525-F698 HydrophobicContact CH2-CG 4.41Å; W525-F698 HydrophobicContact CZ3-CB 3.81Å; W525-R701 VanDerWaalsContact CG-NE 3.29Å; W525-V857 VanDerWaalsContact CE2-O 3.31Å; W525-V857 WeakPolarHBondContact CZ2-O 3.41Å; W525-V857 PolarHBondContact NE1-O 3.35Å; W525-W858 HydrophobicContact CH2-CH2 4.2Å; W525-W858 HydrophobicContact CZ2-CE3 4.5Å; W525-W858 HydrophobicContact CZ2-CH2 4.34Å; W525-W858 HydrophobicContact CZ2-CZ3 4.3Å
526	M	94.8	Very high	94.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.025	25%	0.252	C	S	.	.	S	Bend	trans	-99.5	137.6	-179.6	-171.2	162.3	48.1	0	0	110.6	V520 L523 T530 K531 A534 W690 A694 W858	V520-M526 HydrophobicContact CG1-CE 3.8Å; L523-M526 HydrophobicContact CD1-CE 3.8Å; M526-T530 HydrophobicContact CG-CG2 3.86Å; M526-T530 HydrophobicContact SD-CG2 3.48Å; M526-T530 WeakPolarHBondContact SD-CG2 3.43Å; M526-K531 HydrophobicContact CB-CG 4.26Å; M526-K531 HydrophobicContact CE-CG 3.83Å; M526-K531 HydrophobicContact CG-CG 4.09Å; M526-K531 WeakPolarHBondContact O-CE 3.24Å; M526-A534 HydrophobicContact CE-CB 4.44Å; M526-W690 HydrophobicContact SD-CZ3 4Å; M526-A694 HydrophobicContact CG-CB 4.22Å; M526-W858 HydrophobicContact CE-CH2 4.26Å; M526-W858 HydrophobicContact CE-CZ3 3.68Å; M526-W858 HydrophobicContact SD-CZ3 4.48Å
527	D	95.9	Very high	95	Very high	46 Å²	46	50.4 Å²	50.4	25%	0.246	25%	0.252	C	S	.	.			trans	-72.5	162.2	174.7	53.8	72.9	0	0	0	112.7	E529 T530 K531 T691	D527-E529 VanDerWaalsContact C-N 3.27Å; D527-E529 PolarHBondContact O-N 3.07Å; D527-E529 PolarHBondContact OD1-N 2.87Å; D527-T530 PolarHBondContact O-N 3.23Å; D527-T530 VanDerWaalsContact OD1-CB 3.28Å; D527-T530 WeakPolarHBondContact OD1-CB 3.31Å; D527-T530 PolarHBondContact OD1-N 3.11Å; D527-T530 PolarHBondContact OD1-OG1 2.67Å; D527-T530 PolarHBondContact OD2-OG1 2.59Å; D527-K531 WeakPolarHBondContact O-CB 3.28Å; D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.48Å; D527-K531 PolarHBondContact O-N 3.44Å; D527-T691 WeakPolarHBondContact OD1-CG2 3.28Å; D527-T691 WeakPolarHBondContact OD2-CB 3.01Å; D527-T691 VanDerWaalsContact OD2-CG2 3.29Å; D527-T691 WeakPolarHBondContact OD2-CG2 3.31Å; D527-T691 PolarHBondContact OD2-OG1 3.47Å
528	D	96.4	Very high	94.9	Very high	126 Å²	126	50.1 Å²	50.1	67%	0.674	25%	0.25	S	S	*	.	H	α-helix	trans	-70.9	-20.9	-173	-60.7	-35.1	0	0	0	113.6	K531 S532	D528-K531 WeakPolarHBondContact OD1-CD 3.49Å; D528-K531 IonicContact OD1-NZ 2.82Å; D528-K531 PolarHBondContact OD1-NZ 2.94Å; D528-S532 WeakPolarHBondContact O-CB 3.47Å; D528-S532 PolarHBondContact O-N 3.01Å; D528-S532 VanDerWaalsContact O-N 3.08Å
529	E	95.9	Very high	94.7	Very high	139 Å²	139	52.2 Å²	52.2	65%	0.65	26%	0.26	S	S	*	.	H	α-helix	trans	-69.8	-54.8	171.5	-179.3	172.5	-172.2	0	0	110.4	D527 K531 S532 I533	D527-E529 VanDerWaalsContact C-N 3.27Å; D527-E529 PolarHBondContact O-N 3.07Å; D527-E529 PolarHBondContact OD1-N 2.87Å; E529-K531 VanDerWaalsContact C-N 3.33Å; E529-K531 PolarHBondContact O-N 2.97Å; E529-S532 WeakPolarHBondContact O-CB 3.24Å; E529-S532 PolarHBondContact O-N 2.7Å; E529-S532 VanDerWaalsContact O-N 3.07Å; E529-I533 HydrophobicContact CG-CD1 4.47Å; E529-I533 PolarHBondContact O-N 3.47Å; E529-I533 VanDerWaalsContact O-N 3.13Å
530	T	96.7	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-38.2	178.6	-46.7	0	0	0	0	111.4	M526 D527 S532 I533 A534 W689 W690 T691 A694	M526-T530 HydrophobicContact CG-CG2 3.86Å; M526-T530 HydrophobicContact SD-CG2 3.48Å; M526-T530 WeakPolarHBondContact SD-CG2 3.43Å; D527-T530 PolarHBondContact O-N 3.23Å; D527-T530 VanDerWaalsContact OD1-CB 3.28Å; D527-T530 WeakPolarHBondContact OD1-CB 3.31Å; D527-T530 PolarHBondContact OD1-N 3.11Å; D527-T530 PolarHBondContact OD1-OG1 2.67Å; D527-T530 PolarHBondContact OD2-OG1 2.59Å; T530-S532 VanDerWaalsContact C-N 3.34Å; T530-S532 PolarHBondContact O-N 3.04Å; T530-I533 PolarHBondContact O-N 2.89Å; T530-A534 WeakPolarHBondContact O-CB 3.41Å; T530-A534 PolarHBondContact O-N 3.45Å; T530-W689 HydrophobicContact CG2-CE3 4.01Å; T530-W689 HydrophobicContact CG2-CZ3 3.74Å; T530-W690 HydrophobicContact CG2-CD2 4.18Å; T530-W690 HydrophobicContact CG2-CE3 3.69Å; T530-W690 HydrophobicContact CG2-CZ3 4.12Å; T530-T691 PolarHBondContact OG1-N 3.07Å; T530-A694 HydrophobicContact CG2-CB 4.07Å
531	K	97.1	Very high	94.1	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.1	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-45.6	170.3	-79	172.9	-179.8	170.9	0	112.1	V520 K521 L523 M526 D527 D528 E529 I533 A534 I535	V520-K531 HydrophobicContact CG1-CB 4.08Å; V520-K531 HydrophobicContact CG1-CG 4Å; V520-K531 WeakPolarHBondContact O-CE 3.47Å; K521-K531 PolarHBondContact O-NZ 2.95Å; K521-K531 VanDerWaalsContact O-NZ 3.09Å; L523-K531 WeakPolarHBondContact O-CE 3.44Å; L523-K531 PolarHBondContact O-NZ 2.88Å; M526-K531 HydrophobicContact CB-CG 4.26Å; M526-K531 HydrophobicContact CE-CG 3.83Å; M526-K531 HydrophobicContact CG-CG 4.09Å; M526-K531 WeakPolarHBondContact O-CE 3.24Å; D527-K531 WeakPolarHBondContact O-CB 3.28Å; D527-K531 VanDerWaalsContact O-CG 3.31Å; D527-K531 WeakPolarHBondContact O-CG 3.48Å; D527-K531 PolarHBondContact O-N 3.44Å; D528-K531 WeakPolarHBondContact OD1-CD 3.49Å; D528-K531 IonicContact OD1-NZ 2.82Å; D528-K531 PolarHBondContact OD1-NZ 2.94Å; E529-K531 VanDerWaalsContact C-N 3.33Å; E529-K531 PolarHBondContact O-N 2.97Å; K531-I533 VanDerWaalsContact C-N 3.31Å; K531-I533 PolarHBondContact O-N 2.96Å; K531-A534 PolarHBondContact O-N 3.45Å; K531-I535 WeakPolarHBondContact O-CB 3.48Å; K531-I535 VanDerWaalsContact O-CG1 3.28Å; K531-I535 WeakPolarHBondContact O-CG1 3.45Å; K531-I535 PolarHBondContact O-N 3.47Å
532	S	96.8	Very high	93.3	Very high	77 Å²	77	54 Å²	54	54%	0.538	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-40.1	-178.3	-165.6	0	0	0	0	111.4	D528 E529 T530 E536	D528-S532 WeakPolarHBondContact O-CB 3.47Å; D528-S532 PolarHBondContact O-N 3.01Å; D528-S532 VanDerWaalsContact O-N 3.08Å; E529-S532 WeakPolarHBondContact O-CB 3.24Å; E529-S532 PolarHBondContact O-N 2.7Å; E529-S532 VanDerWaalsContact O-N 3.07Å; T530-S532 VanDerWaalsContact C-N 3.34Å; T530-S532 PolarHBondContact O-N 3.04Å; S532-E536 WeakPolarHBondContact O-CB 3.25Å; S532-E536 PolarHBondContact O-N 2.94Å
533	I	96.2	Very high	92.4	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-68.3	-41.8	176.4	-59.8	164.2	0	0	0	111.2	E529 T530 K531 I535 E536 K537 W689	E529-I533 HydrophobicContact CG-CD1 4.47Å; E529-I533 PolarHBondContact O-N 3.47Å; E529-I533 VanDerWaalsContact O-N 3.13Å; T530-I533 PolarHBondContact O-N 2.89Å; K531-I533 VanDerWaalsContact C-N 3.31Å; K531-I533 PolarHBondContact O-N 2.96Å; I533-I535 VanDerWaalsContact C-N 3.34Å; I533-I535 PolarHBondContact O-N 3.07Å; I533-E536 PolarHBondContact O-N 3.1Å; I533-K537 WeakPolarHBondContact O-CB 2.85Å; I533-K537 PolarHBondContact O-N 2.86Å; I533-W689 HydrophobicContact CB-CE3 4.12Å; I533-W689 HydrophobicContact CD1-CB 4.47Å; I533-W689 HydrophobicContact CG2-CB 4.06Å; I533-W689 HydrophobicContact CG2-CD2 3.94Å; I533-W689 HydrophobicContact CG2-CE3 3.7Å; I533-W689 HydrophobicContact CG2-CG 4.1Å; I533-W689 HydrophobicContact CG2-CZ3 4.49Å
534	A	95.7	Very high	91.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-40.8	177.3	0	0	0	0	0	112.3	V520 M526 T530 K531 K537 A538 F673 W689	V520-A534 HydrophobicContact CG1-CB 4.23Å; M526-A534 HydrophobicContact CE-CB 4.44Å; T530-A534 WeakPolarHBondContact O-CB 3.41Å; T530-A534 PolarHBondContact O-N 3.45Å; K531-A534 PolarHBondContact O-N 3.45Å; A534-K537 PolarHBondContact O-N 3.39Å; A534-A538 PolarHBondContact O-N 3.05Å; A534-F673 HydrophobicContact CB-CD1 4.43Å; A534-F673 HydrophobicContact CB-CE1 4.03Å; A534-F673 WeakPolarHBondContact O-CE1 3.09Å; A534-F673 WeakPolarHBondContact O-CZ 3.32Å; A534-W689 HydrophobicContact CB-CH2 4.29Å; A534-W689 HydrophobicContact CB-CZ3 4.15Å
535	I	95.6	Very high	90.4	Very high	24 Å²	24	43.2 Å²	43.2	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-45	174.2	-68.9	166.3	0	0	0	111	T517 V520 K521 K531 I533 K537 A538 Q539	T517-I535 HydrophobicContact CG2-CD1 4.46Å; T517-I535 HydrophobicContact CG2-CG1 4.24Å; T517-I535 HydrophobicContact CG2-CG2 3.84Å; V520-I535 HydrophobicContact CB-CG1 4.19Å; V520-I535 HydrophobicContact CG1-CD1 4.09Å; V520-I535 HydrophobicContact CG1-CG1 3.78Å; K521-I535 HydrophobicContact CG-CD1 3.79Å; K531-I535 WeakPolarHBondContact O-CB 3.48Å; K531-I535 VanDerWaalsContact O-CG1 3.28Å; K531-I535 WeakPolarHBondContact O-CG1 3.45Å; K531-I535 PolarHBondContact O-N 3.47Å; I533-I535 VanDerWaalsContact C-N 3.34Å; I533-I535 PolarHBondContact O-N 3.07Å; I535-K537 VanDerWaalsContact C-N 3.32Å; I535-K537 PolarHBondContact O-N 3.32Å; I535-A538 PolarHBondContact O-N 2.85Å; I535-Q539 HydrophobicContact CG2-CG 4.47Å; I535-Q539 VanDerWaalsContact O-CG 3.31Å; I535-Q539 WeakPolarHBondContact O-CG 3.37Å; I535-Q539 PolarHBondContact O-N 3.2Å
536	E	95.5	Very high	89.3	Confident	84 Å²	84	43 Å²	43	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-42.9	177	-164.9	-169	-154.9	0	0	111.2	S532 I533 A538 Q539 E540 K682	S532-E536 WeakPolarHBondContact O-CB 3.25Å; S532-E536 PolarHBondContact O-N 2.94Å; I533-E536 PolarHBondContact O-N 3.1Å; E536-A538 PolarHBondContact O-N 3.22Å; E536-Q539 PolarHBondContact O-N 2.81Å; E536-E540 VanDerWaalsContact O-CG 3.29Å; E536-E540 WeakPolarHBondContact O-CG 3.15Å; E536-E540 PolarHBondContact O-N 3.19Å; E536-K682 VanDerWaalsContact CD-CD 3.44Å; E536-K682 HydrophobicContact CG-CD 3.83Å; E536-K682 IonicContact OE1-NZ 2.79Å; E536-K682 PolarHBondContact OE1-NZ 3.47Å; E536-K682 VanDerWaalsContact OE2-CD 3.28Å; E536-K682 WeakPolarHBondContact OE2-CD 3.32Å; E536-K682 IonicContact OE2-NZ 3.15Å
537	K	94.2	Very high	88.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-45.6	175.3	178.4	171.7	-175.8	-172.7	0	112.5	I533 A534 I535 Q539 E540 M541 N616 G672 F673 G677 Y680 K682	I533-K537 WeakPolarHBondContact O-CB 2.85Å; I533-K537 PolarHBondContact O-N 2.86Å; A534-K537 PolarHBondContact O-N 3.39Å; I535-K537 VanDerWaalsContact C-N 3.32Å; I535-K537 PolarHBondContact O-N 3.32Å; K537-Q539 VanDerWaalsContact C-N 3.33Å; K537-Q539 PolarHBondContact O-N 3.35Å; K537-E540 PolarHBondContact O-N 2.95Å; K537-M541 WeakPolarHBondContact O-CG 3.06Å; K537-M541 PolarHBondContact O-N 3.45Å; K537-N616 WeakPolarHBondContact CE-OD1 3.28Å; K537-N616 PolarHBondContact O-ND2 2.91Å; K537-N616 VanDerWaalsContact O-ND2 3.15Å; K537-G672 WeakPolarHBondContact CE-O 2.68Å; K537-G672 PolarHBondContact NZ-O 2.91Å; K537-F673 HydrophobicContact CB-CE1 4.06Å; K537-F673 HydrophobicContact CB-CZ 4.07Å; K537-F673 HydrophobicContact CD-CE1 3.77Å; K537-F673 HydrophobicContact CD-CZ 4.05Å; K537-F673 HydrophobicContact CG-CE1 4.02Å; K537-F673 HydrophobicContact CG-CZ 3.88Å; K537-G677 PolarHBondContact NZ-O 3.23Å; K537-Y680 WeakPolarHBondContact CE-O 3.49Å; K537-Y680 PolarHBondContact NZ-O 3.44Å; K537-K682 HydrophobicContact CB-CB 4.16Å; K537-K682 HydrophobicContact CG-CB 4.44Å
538	A	91.1	Very high	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-36	178.6	0	0	0	0	0	112.3	R513 F516 A534 I535 E536 M541 F673	R513-A538 VanDerWaalsContact CD-O 3.31Å; R513-A538 WeakPolarHBondContact CD-O 3.2Å; R513-A538 PolarHBondContact NE-O 2.78Å; R513-A538 PolarHBondContact NH1-O 2.75Å; F516-A538 HydrophobicContact CD1-CB 3.68Å; F516-A538 HydrophobicContact CE1-CB 3.74Å; A534-A538 PolarHBondContact O-N 3.05Å; I535-A538 PolarHBondContact O-N 2.85Å; E536-A538 PolarHBondContact O-N 3.22Å; A538-M541 WeakPolarHBondContact O-CB 3.27Å; A538-M541 PolarHBondContact O-N 2.87Å; A538-F673 HydrophobicContact CB-CE2 4.25Å; A538-F673 HydrophobicContact CB-CZ 3.93Å
539	Q	89	Confident	87.2	Confident	115 Å²	115	40.6 Å²	40.6	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-67.1	-40.5	176	-72.7	173.2	0.7	0	0	112	R513 I535 E536 K537 M541	R513-Q539 PolarHBondContact NH1-O 3.16Å; I535-Q539 HydrophobicContact CG2-CG 4.47Å; I535-Q539 VanDerWaalsContact O-CG 3.31Å; I535-Q539 WeakPolarHBondContact O-CG 3.37Å; I535-Q539 PolarHBondContact O-N 3.2Å; E536-Q539 PolarHBondContact O-N 2.81Å; K537-Q539 VanDerWaalsContact C-N 3.33Å; K537-Q539 PolarHBondContact O-N 3.35Å; Q539-M541 VanDerWaalsContact C-N 3.27Å; Q539-M541 PolarHBondContact O-N 3.13Å
540	E	89.1	Confident	86.9	Confident	87 Å²	87	36.6 Å²	36.6	41%	0.407	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.6	177.7	-63.2	-80.8	-173.5	0	0	114.4	E536 K537 I542 K682	E536-E540 VanDerWaalsContact O-CG 3.29Å; E536-E540 WeakPolarHBondContact O-CG 3.15Å; E536-E540 PolarHBondContact O-N 3.19Å; K537-E540 PolarHBondContact O-N 2.95Å; E540-I542 PolarHBondContact O-N 3.3Å; E540-K682 HydrophobicContact CB-CB 4.07Å; E540-K682 HydrophobicContact CG-CB 4.19Å; E540-K682 HydrophobicContact CG-CD 3.99Å; E540-K682 HydrophobicContact CG-CG 4.32Å; E540-K682 IonicContact OE1-NZ 3.42Å; E540-K682 PolarHBondContact OE1-NZ 3.02Å
541	M	85.9	Confident	86.5	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.025	18%	0.184	C	C	.	.			trans	-64.8	123.5	173.9	-68.9	178.3	109.6	0	0	110.2	R513 K537 A538 Q539 Y611 N616 I669 F673	R513-M541 PolarHBondContact NH1-O 2.85Å; R513-M541 PolarHBondContact NH2-O 2.91Å; K537-M541 WeakPolarHBondContact O-CG 3.06Å; K537-M541 PolarHBondContact O-N 3.45Å; A538-M541 WeakPolarHBondContact O-CB 3.27Å; A538-M541 PolarHBondContact O-N 2.87Å; Q539-M541 VanDerWaalsContact C-N 3.27Å; Q539-M541 PolarHBondContact O-N 3.13Å; M541-Y611 HydrophobicContact CE-CD2 3.55Å; M541-Y611 HydrophobicContact CE-CE2 3.26Å; M541-Y611 HydrophobicContact CE-CG 4.45Å; M541-N616 WeakPolarHBondContact CA-O 3.48Å; M541-I669 HydrophobicContact SD-CG1 4.46Å; M541-I669 HydrophobicContact SD-CG2 4.29Å; M541-F673 HydrophobicContact SD-CE2 4.4Å
542	I	79.5	Confident	86	Confident	52 Å²	52	40 Å²	40	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.5	177.1	-62.9	150	0	0	0	109.2	E540 N616 V617 I618	E540-I542 PolarHBondContact O-N 3.3Å; I542-N616 PolarHBondContact N-O 3.26Å; I542-V617 HydrophobicContact CB-CB 4.2Å; I542-V617 HydrophobicContact CB-CG1 3.91Å; I542-V617 HydrophobicContact CB-CG2 3.57Å; I542-V617 HydrophobicContact CD1-CG2 3.57Å; I542-V617 HydrophobicContact CG1-CG2 4.11Å; I542-V617 HydrophobicContact CG2-CG1 3.95Å; I542-V617 HydrophobicContact CG2-CG2 4.17Å; I542-V617 WeakPolarHBondContact O-CA 3.47Å; I542-V617 WeakPolarHBondContact O-CG1 3.4Å; I542-I618 WeakPolarHBondContact O-CB 3.41Å; I542-I618 PolarHBondContact O-N 2.86Å
543	N	73.9	Confident	85.8	Confident	41 Å²	41	39.7 Å²	39.7	22%	0.219	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.7	-176.4	-62	-35.9	0	0	0	112.3	I509 R513 I545 I618	I509-N543 WeakPolarHBondContact CG2-ND2 3.3Å; R513-N543 VanDerWaalsContact NH2-CG 3.31Å; R513-N543 PolarHBondContact NH2-ND2 3.25Å; R513-N543 PolarHBondContact NH2-OD1 2.99Å; N543-I545 HydrophobicContact CB-CD1 3.9Å; N543-I545 HydrophobicContact CB-CG1 4.07Å; N543-I618 WeakPolarHBondContact OD1-CD1 3.49Å
544	H	73.1	Confident	85.7	Confident	12 Å²	12	44 Å²	44	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	105.2	170.3	-75.3	-170.1	0	0	0	112	N598 F600 I618 S619 F638	H544-N598 VanDerWaalsContact CE1-C 3.47Å; H544-N598 PolarHBondContact CE1-O 2.79Å; H544-N598 VanDerWaalsContact CE1-O 3.24Å; H544-F600 HydrophobicContact CB-CD1 4.02Å; H544-F600 HydrophobicContact CB-CD2 4.25Å; H544-F600 HydrophobicContact CB-CE1 3.55Å; H544-F600 HydrophobicContact CB-CE2 3.79Å; H544-F600 HydrophobicContact CB-CG 4.37Å; H544-F600 HydrophobicContact CB-CZ 3.43Å; H544-F600 VanDerWaalsContact CB-CZ 3.43Å; H544-F600 AromaticContact CD2-CE2 3.71Å; H544-F600 AromaticContact CE1-CD2 3.46Å; H544-F600 VanDerWaalsContact CE1-CD2 3.46Å; H544-F600 WeakPolarHBondContact CE1-CD2 3.44Å; H544-F600 AromaticContact CE1-CE2 3.86Å; H544-F600 AromaticContact CG-CD2 3.59Å; H544-F600 AromaticContact CG-CE1 4Å; H544-F600 AromaticContact CG-CE2 3.35Å; H544-F600 AromaticContact CG-CZ 3.59Å; H544-F600 AromaticContact ND1-CD1 3.89Å; H544-F600 AromaticContact ND1-CD2 3.1Å; H544-F600 WeakPolarHBondContact ND1-CD2 3.28Å; H544-F600 AromaticContact ND1-CE2 3.42Å; H544-F600 WeakPolarHBondContact ND1-CE2 3.41Å; H544-F600 AromaticContact ND1-CG 3.39Å; H544-F600 WeakPolarHBondContact ND1-CG 3.13Å; H544-F600 AromaticContact ND1-CZ 3.95Å; H544-I618 VanDerWaalsContact CB-O 3.24Å; H544-I618 WeakPolarHBondContact CB-O 3.45Å; H544-I618 PolarHBondContact N-O 3.06Å; H544-S619 PolarHBondContact CE1-OG 3.44Å; H544-S619 WeakPolarHBondContact ND1-CB 3.29Å; H544-S619 PolarHBondContact ND1-OG 3.13Å; H544-F638 PolarHBondContact O-N 3.34Å; H544-F638 VanDerWaalsContact O-N 3.12Å
545	I	72.5	Confident	85.7	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.8	-167.5	-53.3	163.8	0	0	0	110.9	K502 A505 V506 I509 N543 Y547 L643	K502-I545 VanDerWaalsContact CE-O 3.28Å; K502-I545 WeakPolarHBondContact CE-O 3.22Å; K502-I545 HydrophobicContact CG-CG2 4.08Å; A505-I545 HydrophobicContact CB-CG2 4.22Å; V506-I545 HydrophobicContact CB-CD1 4.32Å; V506-I545 HydrophobicContact CG2-CD1 3.51Å; I509-I545 HydrophobicContact CD1-CD1 3.52Å; I509-I545 HydrophobicContact CD1-CG1 3.77Å; N543-I545 HydrophobicContact CB-CD1 3.9Å; N543-I545 HydrophobicContact CB-CG1 4.07Å; I545-Y547 VanDerWaalsContact C-N 3.29Å; I545-Y547 PolarHBondContact O-N 3.02Å; I545-L643 HydrophobicContact CG2-CD1 4.24Å
546	G	70.7	Confident	85.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-71.7	-179.6	0	0	0	0	0	113.2	F638 P639 A640	G546-F638 VanDerWaalsContact CA-O 3.3Å; G546-F638 WeakPolarHBondContact CA-O 3.48Å; G546-F638 PolarHBondContact N-O 3.27Å; G546-P639 CarbonylContact O-C 3.37Å; G546-P639 WeakPolarHBondContact O-CA 2.84Å; G546-A640 PolarHBondContact O-N 3.09Å
547	Y	75.3	Confident	85.5	Confident	12 Å²	12	49 Å²	49	5%	0.047	25%	0.245	C	C	.	.			trans	-167.4	157.1	-169.6	57.7	-94.1	0	0	0	112.5	V493 F497 Q499 K502 I545 E549 I551 N552 F600	V493-Y547 HydrophobicContact CB-CD1 4.38Å; V493-Y547 HydrophobicContact CG1-CD1 3.63Å; V493-Y547 HydrophobicContact CG1-CE1 3.68Å; V493-Y547 HydrophobicContact CG1-CG 4.16Å; V493-Y547 HydrophobicContact CG2-CD1 3.74Å; V493-Y547 HydrophobicContact CG2-CG 4Å; F497-Y547 HydrophobicContact CD1-CD1 4.08Å; F497-Y547 AromaticContact CD1-CE1 3.65Å; F497-Y547 HydrophobicContact CD1-CE1 3.65Å; F497-Y547 HydrophobicContact CE1-CD1 4.16Å; F497-Y547 AromaticContact CE1-CE1 3.68Å; F497-Y547 HydrophobicContact CE1-CE1 3.68Å; Q499-Y547 PolarHBondContact OE1-OH 3.15Å; K502-Y547 HydrophobicContact CD-CE1 4.34Å; I545-Y547 VanDerWaalsContact C-N 3.29Å; I545-Y547 PolarHBondContact O-N 3.02Å; Y547-E549 WeakPolarHBondContact CE2-OE2 3.49Å; Y547-I551 HydrophobicContact CD2-CD1 4.35Å; Y547-I551 HydrophobicContact CD2-CG1 4.43Å; Y547-I551 HydrophobicContact CG-CD1 4.31Å; Y547-N552 WeakPolarHBondContact CE2-ND2 2.89Å; Y547-F600 VanDerWaalsContact C-CZ 3.5Å; Y547-F600 WeakPolarHBondContact O-CZ 3.42Å
548	P	82.8	Confident	85.5	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.039	27%	0.274	C	S	.	.			trans	-76.3	129.5	169.3	21.9	-19.7	0	0	0	111.6	M486 F550 I551 F600	M486-P548 HydrophobicContact SD-CG 3.93Å; P548-F550 HydrophobicContact CB-CD1 3.73Å; P548-F550 HydrophobicContact CB-CE1 3.68Å; P548-F550 HydrophobicContact CG-CD1 4.25Å; P548-F550 HydrophobicContact CG-CE1 3.77Å; P548-F550 HydrophobicContact CG-CZ 4.44Å; P548-F550 PolarHBondContact O-N 3.27Å; P548-I551 HydrophobicContact CG-CG2 3.94Å; P548-I551 WeakPolarHBondContact O-CG1 3.24Å; P548-I551 PolarHBondContact O-N 3.44Å; P548-F600 HydrophobicContact CB-CB 3.71Å; P548-F600 HydrophobicContact CB-CD1 3.99Å; P548-F600 HydrophobicContact CB-CD2 3.58Å; P548-F600 HydrophobicContact CB-CE1 4.4Å; P548-F600 HydrophobicContact CB-CE2 4.05Å; P548-F600 HydrophobicContact CB-CG 3.53Å; P548-F600 HydrophobicContact CB-CZ 4.42Å; P548-F600 VanDerWaalsContact CD-CD1 3.45Å; P548-F600 HydrophobicContact CG-CB 3.62Å; P548-F600 HydrophobicContact CG-CD1 3.84Å; P548-F600 HydrophobicContact CG-CD2 4.29Å; P548-F600 HydrophobicContact CG-CE1 4.46Å; P548-F600 HydrophobicContact CG-CG 3.71Å
549	E	84.5	Confident	85.7	Confident	108 Å²	108	61 Å²	61	51%	0.505	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-57.4	-24.3	-173.5	-60.9	-58.5	150.6	0	0	114.9	K502 Y547 I551 N552	K502-E549 IonicContact NZ-OE1 2.63Å; K502-E549 PolarHBondContact NZ-OE1 2.98Å; Y547-E549 WeakPolarHBondContact CE2-OE2 3.49Å; E549-I551 PolarHBondContact O-N 3.28Å; E549-N552 PolarHBondContact O-N 3.45Å
550	F	89.7	Confident	85.8	Confident	55 Å²	55	57.3 Å²	57.3	24%	0.241	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.4	-23.7	-179.1	80.9	-97.7	0	0	0	113.5	M486 P548 N552 N553 L556 L557 Y560	M486-F550 HydrophobicContact CB-CZ 4.34Å; M486-F550 HydrophobicContact CG-CZ 3.99Å; M486-F550 HydrophobicContact SD-CZ 4.31Å; P548-F550 HydrophobicContact CB-CD1 3.73Å; P548-F550 HydrophobicContact CB-CE1 3.68Å; P548-F550 HydrophobicContact CG-CD1 4.25Å; P548-F550 HydrophobicContact CG-CE1 3.77Å; P548-F550 HydrophobicContact CG-CZ 4.44Å; P548-F550 PolarHBondContact O-N 3.27Å; F550-N552 PolarHBondContact O-N 2.88Å; F550-N553 PolarHBondContact O-N 3.46Å; F550-L556 HydrophobicContact CB-CB 4.22Å; F550-L556 HydrophobicContact CB-CD1 4.06Å; F550-L556 HydrophobicContact CD2-CB 4.42Å; F550-L557 HydrophobicContact CE2-CD1 4.28Å; F550-Y560 HydrophobicContact CE1-CD2 4.38Å; F550-Y560 HydrophobicContact CE1-CE2 4.4Å; F550-Y560 AromaticContact CE2-CD2 3.54Å; F550-Y560 HydrophobicContact CE2-CD2 3.54Å; F550-Y560 HydrophobicContact CE2-CE2 4.2Å; F550-Y560 AromaticContact CE2-CG 3.86Å; F550-Y560 HydrophobicContact CE2-CG 3.86Å; F550-Y560 AromaticContact CZ-CD2 3.39Å; F550-Y560 HydrophobicContact CZ-CD2 3.39Å; F550-Y560 AromaticContact CZ-CE2 3.57Å; F550-Y560 HydrophobicContact CZ-CE2 3.57Å; F550-Y560 HydrophobicContact CZ-CG 4.08Å
551	I	88	Confident	85.9	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-70.6	-21.4	-177.3	77.6	-176.6	0	0	0	112.7	M486 A490 V493 Y547 P548 E549 N553 L557 P604	M486-I551 HydrophobicContact CB-CG2 4.04Å; M486-I551 HydrophobicContact SD-CG2 4.44Å; A490-I551 HydrophobicContact CB-CB 4.1Å; A490-I551 HydrophobicContact CB-CD1 4.27Å; A490-I551 HydrophobicContact CB-CG1 4.17Å; V493-I551 HydrophobicContact CG2-CD1 4.4Å; Y547-I551 HydrophobicContact CD2-CD1 4.35Å; Y547-I551 HydrophobicContact CD2-CG1 4.43Å; Y547-I551 HydrophobicContact CG-CD1 4.31Å; P548-I551 HydrophobicContact CG-CG2 3.94Å; P548-I551 WeakPolarHBondContact O-CG1 3.24Å; P548-I551 PolarHBondContact O-N 3.44Å; E549-I551 PolarHBondContact O-N 3.28Å; I551-N553 PolarHBondContact O-N 2.95Å; I551-L557 HydrophobicContact CB-CD1 4.31Å; I551-L557 HydrophobicContact CG2-CD1 4.24Å; I551-P604 HydrophobicContact CD1-CG 3.76Å
552	N	86.3	Confident	86.3	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-73	-15	173.2	-66.3	-21.2	0	0	0	111.9	Y547 E549 F550	Y547-N552 WeakPolarHBondContact CE2-ND2 2.89Å; E549-N552 PolarHBondContact O-N 3.45Å; F550-N552 PolarHBondContact O-N 2.88Å
553	N	93.6	Very high	86.8	Confident	71 Å²	71	60.8 Å²	60.8	38%	0.38	31%	0.313	S	S	.	.	S	Bend	trans	-103	105.3	176.1	-176.7	-33.6	0	0	0	110	F550 I551 T555 L556 L557	F550-N553 PolarHBondContact O-N 3.46Å; I551-N553 PolarHBondContact O-N 2.95Å; N553-T555 VanDerWaalsContact C-N 3.29Å; N553-T555 PolarHBondContact O-N 3.31Å; N553-T555 WeakPolarHBondContact OD1-CB 3.28Å; N553-T555 PolarHBondContact OD1-N 2.98Å; N553-T555 VanDerWaalsContact OD1-N 3.13Å; N553-L556 HydrophobicContact CB-CB 4.16Å; N553-L556 HydrophobicContact CB-CD1 4Å; N553-L556 HydrophobicContact CB-CG 4.09Å; N553-L556 PolarHBondContact O-N 2.59Å; N553-L556 PolarHBondContact OD1-N 3.05Å; N553-L557 PolarHBondContact O-N 3.42Å
554	K	92.8	Very high	87.7	Confident	142 Å²	142	60 Å²	60	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-55.3	-41.3	-176.4	-60.7	-173.6	180	-175	0	112.4	L556 L557 D558	K554-L556 VanDerWaalsContact C-N 3.35Å; K554-L556 PolarHBondContact O-N 2.77Å; K554-L557 PolarHBondContact O-N 2.73Å; K554-D558 WeakPolarHBondContact O-CB 3.21Å; K554-D558 PolarHBondContact O-N 3.19Å
555	T	96.3	Very high	88.7	Confident	108 Å²	108	64.7 Å²	64.7	66%	0.663	33%	0.334	S	S	*	.	H	α-helix	trans	-64	-35.2	177.4	-47.4	0	0	0	0	113.3	N553 K559	N553-T555 VanDerWaalsContact C-N 3.29Å; N553-T555 PolarHBondContact O-N 3.31Å; N553-T555 WeakPolarHBondContact OD1-CB 3.28Å; N553-T555 PolarHBondContact OD1-N 2.98Å; N553-T555 VanDerWaalsContact OD1-N 3.13Å; T555-K559 WeakPolarHBondContact O-CB 3.37Å; T555-K559 PolarHBondContact O-N 3.17Å
556	L	94.7	Very high	89.6	Confident	85 Å²	85	67.1 Å²	67.1	45%	0.445	35%	0.347	S	S	.	.	H	α-helix	trans	-76.4	-33.9	174.7	-63.8	-179.2	0	0	0	112	F550 N553 K554 Y560	F550-L556 HydrophobicContact CB-CB 4.22Å; F550-L556 HydrophobicContact CB-CD1 4.06Å; F550-L556 HydrophobicContact CD2-CB 4.42Å; N553-L556 HydrophobicContact CB-CB 4.16Å; N553-L556 HydrophobicContact CB-CD1 4Å; N553-L556 HydrophobicContact CB-CG 4.09Å; N553-L556 PolarHBondContact O-N 2.59Å; N553-L556 PolarHBondContact OD1-N 3.05Å; K554-L556 VanDerWaalsContact C-N 3.35Å; K554-L556 PolarHBondContact O-N 2.77Å; L556-Y560 PolarHBondContact O-N 2.93Å
557	L	92.9	Very high	90.6	Very high	19 Å²	19	73.3 Å²	73.3	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-69.7	-43.6	176.1	-174.6	63	0	0	0	112	M486 A490 F550 I551 N553 K554 K559 Y560 Y561	M486-L557 HydrophobicContact CB-CD1 3.92Å; A490-L557 HydrophobicContact CB-CD2 3.87Å; F550-L557 HydrophobicContact CE2-CD1 4.28Å; I551-L557 HydrophobicContact CB-CD1 4.31Å; I551-L557 HydrophobicContact CG2-CD1 4.24Å; N553-L557 PolarHBondContact O-N 3.42Å; K554-L557 PolarHBondContact O-N 2.73Å; L557-K559 VanDerWaalsContact C-N 3.34Å; L557-K559 PolarHBondContact O-N 2.94Å; L557-Y560 VanDerWaalsContact O-CB 3.31Å; L557-Y560 WeakPolarHBondContact O-CB 3.44Å; L557-Y560 PolarHBondContact O-N 2.83Å; L557-Y560 VanDerWaalsContact O-N 3.1Å; L557-Y561 HydrophobicContact CD1-CD2 4.43Å; L557-Y561 HydrophobicContact CD1-CE2 3.92Å; L557-Y561 WeakPolarHBondContact O-CD2 3.29Å; L557-Y561 PolarHBondContact O-N 3.47Å
558	D	94.3	Very high	91.1	Very high	115 Å²	115	81.6 Å²	81.6	62%	0.615	42%	0.415	S	S	*	.	H	α-helix	trans	-61.4	-44.7	174.7	-66.2	-27.4	0	0	0	110.2	K554 Y560 Y561 E562	K554-D558 WeakPolarHBondContact O-CB 3.21Å; K554-D558 PolarHBondContact O-N 3.19Å; D558-Y560 VanDerWaalsContact C-N 3.28Å; D558-Y560 PolarHBondContact O-N 3.14Å; D558-Y561 CarbonylContact O-C 3.52Å; D558-Y561 PolarHBondContact O-N 2.76Å; D558-E562 PolarHBondContact O-N 3.1Å
559	K	94.2	Very high	91.4	Very high	140 Å²	140	87.7 Å²	87.7	61%	0.609	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-31.6	173.3	-174	167.2	-174.5	171.2	0	113.1	T555 L557 Y561 E562	T555-K559 WeakPolarHBondContact O-CB 3.37Å; T555-K559 PolarHBondContact O-N 3.17Å; L557-K559 VanDerWaalsContact C-N 3.34Å; L557-K559 PolarHBondContact O-N 2.94Å; K559-Y561 PolarHBondContact O-N 2.99Å; K559-E562 VanDerWaalsContact O-CB 3.3Å; K559-E562 WeakPolarHBondContact O-CB 3.2Å; K559-E562 PolarHBondContact O-N 2.77Å
560	Y	90.7	Very high	91.6	Very high	36 Å²	36	84 Å²	84	14%	0.141	43%	0.432	C	S	.	.	H	α-helix	trans	-63.5	-23.1	173	-174.9	-81.2	0	0	0	112.2	M486 F550 L556 L557 D558 R586	M486-Y560 HydrophobicContact CB-CD1 4.4Å; M486-Y560 HydrophobicContact CB-CE1 4.17Å; M486-Y560 HydrophobicContact CG-CD1 4.29Å; M486-Y560 HydrophobicContact CG-CE1 3.65Å; M486-Y560 HydrophobicContact CG-CE2 4.14Å; F550-Y560 HydrophobicContact CE1-CD2 4.38Å; F550-Y560 HydrophobicContact CE1-CE2 4.4Å; F550-Y560 AromaticContact CE2-CD2 3.54Å; F550-Y560 HydrophobicContact CE2-CD2 3.54Å; F550-Y560 HydrophobicContact CE2-CE2 4.2Å; F550-Y560 AromaticContact CE2-CG 3.86Å; F550-Y560 HydrophobicContact CE2-CG 3.86Å; F550-Y560 AromaticContact CZ-CD2 3.39Å; F550-Y560 HydrophobicContact CZ-CD2 3.39Å; F550-Y560 AromaticContact CZ-CE2 3.57Å; F550-Y560 HydrophobicContact CZ-CE2 3.57Å; F550-Y560 HydrophobicContact CZ-CG 4.08Å; L556-Y560 PolarHBondContact O-N 2.93Å; L557-Y560 VanDerWaalsContact O-CB 3.31Å; L557-Y560 WeakPolarHBondContact O-CB 3.44Å; L557-Y560 PolarHBondContact O-N 2.83Å; L557-Y560 VanDerWaalsContact O-N 3.1Å; D558-Y560 VanDerWaalsContact C-N 3.28Å; D558-Y560 PolarHBondContact O-N 3.14Å; Y560-R586 PolarHBondContact O-NH1 2.93Å
561	Y	92.7	Very high	91.4	Very high	24 Å²	24	83.4 Å²	83.4	9%	0.094	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	15.3	177.3	-69.5	-72.6	0	0	0	114	M484 E485 M486 A487 L557 D558 K559 G563 L564 W582	M484-Y561 WeakPolarHBondContact CA-OH 3.34Å; M484-Y561 HydrophobicContact CB-CE1 4.26Å; M484-Y561 HydrophobicContact CE-CD1 4.39Å; M484-Y561 HydrophobicContact CE-CG 4.45Å; M484-Y561 HydrophobicContact CG-CE1 4.26Å; M484-Y561 PolarHBondContact O-OH 2.69Å; E485-Y561 PolarHBondContact N-OH 3.28Å; M486-Y561 HydrophobicContact CB-CE2 4.34Å; M486-Y561 WeakPolarHBondContact CB-OH 3.06Å; M486-Y561 PolarHBondContact N-OH 3.01Å; A487-Y561 HydrophobicContact CB-CD2 4.49Å; A487-Y561 HydrophobicContact CB-CE2 3.76Å; A487-Y561 PolarHBondContact N-OH 3.24Å; L557-Y561 HydrophobicContact CD1-CD2 4.43Å; L557-Y561 HydrophobicContact CD1-CE2 3.92Å; L557-Y561 WeakPolarHBondContact O-CD2 3.29Å; L557-Y561 PolarHBondContact O-N 3.47Å; D558-Y561 CarbonylContact O-C 3.52Å; D558-Y561 PolarHBondContact O-N 2.76Å; K559-Y561 PolarHBondContact O-N 2.99Å; Y561-G563 PolarHBondContact O-N 3.26Å; Y561-L564 HydrophobicContact CD1-CD2 3.94Å; Y561-L564 WeakPolarHBondContact O-CB 3.08Å; Y561-L564 PolarHBondContact O-N 2.77Å; Y561-W582 AromaticContact CD1-CH2 3.39Å; Y561-W582 HydrophobicContact CD1-CH2 3.39Å; Y561-W582 HydrophobicContact CD1-CZ2 4.18Å; Y561-W582 AromaticContact CD1-CZ3 3.8Å; Y561-W582 HydrophobicContact CD1-CZ3 3.8Å; Y561-W582 AromaticContact CE1-CH2 3.8Å; Y561-W582 HydrophobicContact CE1-CH2 3.8Å; Y561-W582 AromaticContact CE1-CZ3 3.98Å; Y561-W582 HydrophobicContact CE1-CZ3 3.98Å; Y561-W582 HydrophobicContact CG-CH2 4.34Å
562	E	92.9	Very high	91.2	Very high	137 Å²	137	86.6 Å²	86.6	64%	0.64	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	131.9	177.3	-169.8	161.3	-148.3	0	0	111.5	D558 K559 W582	D558-E562 PolarHBondContact O-N 3.1Å; K559-E562 VanDerWaalsContact O-CB 3.3Å; K559-E562 WeakPolarHBondContact O-CB 3.2Å; K559-E562 PolarHBondContact O-N 2.77Å; E562-W582 PolarHBondContact O-NE1 3.02Å
563	G	90.8	Very high	91.2	Very high	56 Å²	56	82.9 Å²	82.9	58%	0.577	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-11.2	-174	0	0	0	0	0	116.5	Y561 L565	Y561-G563 PolarHBondContact O-N 3.26Å; G563-L565 PolarHBondContact O-N 3.08Å; G563-L565 VanDerWaalsContact O-N 3.13Å
564	L	93.9	Very high	90.9	Very high	25 Å²	25	81.9 Å²	81.9	13%	0.131	42%	0.417	C	S	.	.			trans	-83.2	85.6	178.3	-177.1	57	0	0	0	112	M484 Y561 L566 W582	M484-L564 HydrophobicContact CG-CD2 4.36Å; Y561-L564 HydrophobicContact CD1-CD2 3.94Å; Y561-L564 WeakPolarHBondContact O-CB 3.08Å; Y561-L564 PolarHBondContact O-N 2.77Å; L564-L566 HydrophobicContact CD1-CD2 4.2Å; L564-L566 HydrophobicContact CD1-CG 4.3Å; L564-L566 HydrophobicContact CG-CD1 4.49Å; L564-L566 HydrophobicContact CG-CG 4.26Å; L564-L566 PolarHBondContact O-N 3.25Å; L564-W582 HydrophobicContact CB-CD2 3.88Å; L564-W582 HydrophobicContact CB-CE3 4.29Å; L564-W582 HydrophobicContact CB-CG 4.1Å; L564-W582 HydrophobicContact CB-CZ2 4.44Å; L564-W582 HydrophobicContact CD1-CB 3.99Å; L564-W582 HydrophobicContact CD1-CD2 4.18Å; L564-W582 HydrophobicContact CD1-CE3 4.2Å; L564-W582 HydrophobicContact CD1-CG 4.08Å; L564-W582 HydrophobicContact CD2-CD2 4.4Å; L564-W582 HydrophobicContact CD2-CE3 3.95Å; L564-W582 HydrophobicContact CD2-CZ3 4.08Å; L564-W582 HydrophobicContact CG-CD2 4.37Å; L564-W582 HydrophobicContact CG-CE3 4.37Å
565	L	93.3	Very high	90.7	Very high	111 Å²	111	76.6 Å²	76.6	58%	0.581	40%	0.397	S	S	*	.			trans	-89.9	93.3	-176	-60.9	-179.9	0	0	0	113.5	G563 K578	G563-L565 PolarHBondContact O-N 3.08Å; G563-L565 VanDerWaalsContact O-N 3.13Å; L565-K578 WeakPolarHBondContact O-CD 3.42Å; L565-K578 WeakPolarHBondContact O-CE 3.42Å; L565-K578 PolarHBondContact O-NZ 3.3Å
566	L	91.8	Very high	90.3	Very high	66 Å²	66	71.5 Å²	71.5	35%	0.346	37%	0.366	S	S	.	.			trans	-101.4	143.3	172.3	-55.1	-179	0	0	0	110.9	L564 V575 K578	L564-L566 HydrophobicContact CD1-CD2 4.2Å; L564-L566 HydrophobicContact CD1-CG 4.3Å; L564-L566 HydrophobicContact CG-CD1 4.49Å; L564-L566 HydrophobicContact CG-CG 4.26Å; L564-L566 PolarHBondContact O-N 3.25Å; L566-V575 HydrophobicContact CD1-CG1 4.23Å; L566-V575 HydrophobicContact CD2-CG1 4.13Å; L566-K578 HydrophobicContact CD2-CB 3.91Å; L566-K578 HydrophobicContact CD2-CD 4.01Å
567	Y	91.6	Very high	90	Very high	130 Å²	130	71 Å²	71	51%	0.51	36%	0.358	S	S	.	.			trans	-129.9	151	-177.9	-54.3	-54.2	0	0	0	111.8	N569 D570	Y567-N569 VanDerWaalsContact CB-OD1 3.27Å; Y567-N569 WeakPolarHBondContact CB-OD1 3.39Å; Y567-N569 PolarHBondContact O-N 2.93Å; Y567-D570 PolarHBondContact N-OD2 3.49Å; Y567-D570 WeakPolarHBondContact O-CB 3.48Å; Y567-D570 PolarHBondContact O-N 3.45Å
568	D	86	Confident	90	Very high	186 Å²	186	72.1 Å²	72.1	100%	0.995	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.6	-178.9	-65.6	-28.1	0	0	0	114.7
569	N	89.3	Confident	89.8	Confident	135 Å²	135	66.7 Å²	66.7	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.6	177.8	68.1	-16.7	0	0	0	114.4	Y567 T571	Y567-N569 VanDerWaalsContact CB-OD1 3.27Å; Y567-N569 WeakPolarHBondContact CB-OD1 3.39Å; Y567-N569 PolarHBondContact O-N 2.93Å; N569-T571 PolarHBondContact O-N 2.93Å
570	D	87.8	Confident	89.3	Confident	31 Å²	31	61 Å²	61	17%	0.166	31%	0.311	C	S	.	.			trans	-65.9	131.4	172.9	-74.5	-47.1	0	0	0	110.1	Y567 E574 V575 K578	Y567-D570 PolarHBondContact N-OD2 3.49Å; Y567-D570 WeakPolarHBondContact O-CB 3.48Å; Y567-D570 PolarHBondContact O-N 3.45Å; D570-E574 HydrophobicContact CB-CB 3.92Å; D570-V575 HydrophobicContact CB-CG2 3.61Å; D570-K578 VanDerWaalsContact OD1-CE 3.25Å; D570-K578 WeakPolarHBondContact OD1-CE 3.5Å; D570-K578 IonicContact OD1-NZ 2.8Å; D570-K578 PolarHBondContact OD1-NZ 2.93Å; D570-K578 IonicContact OD2-NZ 2.8Å; D570-K578 PolarHBondContact OD2-NZ 3.17Å
571	T	85.3	Confident	89.3	Confident	42 Å²	42	61.3 Å²	61.3	26%	0.258	32%	0.315	S	S	.	.			trans	-70.9	160.5	166.8	69.7	0	0	0	0	110.4	L224 N569 F573 E574 V575	L224-T571 HydrophobicContact CD1-CG2 4.44Å; N569-T571 PolarHBondContact O-N 2.93Å; T571-F573 PolarHBondContact O-N 2.86Å; T571-E574 VanDerWaalsContact CB-OE2 3.24Å; T571-E574 WeakPolarHBondContact CB-OE2 3.47Å; T571-E574 WeakPolarHBondContact CG2-OE2 2.84Å; T571-E574 PolarHBondContact N-OE2 3.38Å; T571-E574 WeakPolarHBondContact O-CA 3.33Å; T571-E574 PolarHBondContact O-N 3.19Å; T571-E574 PolarHBondContact OG1-N 3.03Å; T571-E574 PolarHBondContact OG1-OE2 3.47Å; T571-V575 PolarHBondContact O-N 3.38Å
572	Y	83.8	Confident	89.2	Confident	70 Å²	70	61.8 Å²	61.8	28%	0.275	32%	0.317	S	S	.	.	H	α-helix	trans	-52.5	-29.4	175	-177.9	-110.6	0	0	0	113.2	M447 W483 S576	M447-Y572 HydrophobicContact CB-CD1 4.01Å; M447-Y572 HydrophobicContact CB-CE1 4.09Å; M447-Y572 HydrophobicContact CG-CD1 4.05Å; M447-Y572 HydrophobicContact CG-CE1 3.68Å; W483-Y572 HydrophobicContact CH2-CD2 4.46Å; W483-Y572 AromaticContact CH2-CE2 3.67Å; W483-Y572 HydrophobicContact CH2-CE2 3.67Å; W483-Y572 AromaticContact CH2-CZ 3.95Å; W483-Y572 HydrophobicContact CZ3-CE2 4.04Å; Y572-S576 VanDerWaalsContact O-CB 3.3Å; Y572-S576 WeakPolarHBondContact O-CB 3.38Å; Y572-S576 PolarHBondContact O-N 3.23Å; Y572-S576 PolarHBondContact O-OG 3.11Å
573	F	85.7	Confident	88.8	Confident	12 Å²	12	55.8 Å²	55.8	5%	0.053	29%	0.289	C	S	.	.	H	α-helix	trans	-69.4	-43.7	173.2	-166	-81.4	0	0	0	112.3	K228 V232 W444 M447 L448 T571 R577	K228-F573 HydrophobicContact CB-CD1 4.25Å; K228-F573 HydrophobicContact CB-CD2 4Å; K228-F573 HydrophobicContact CB-CE1 4.38Å; K228-F573 HydrophobicContact CB-CE2 4.12Å; K228-F573 HydrophobicContact CB-CG 4.07Å; K228-F573 HydrophobicContact CB-CZ 4.31Å; K228-F573 HydrophobicContact CG-CG 4.38Å; V232-F573 HydrophobicContact CG2-CE1 3.89Å; V232-F573 HydrophobicContact CG2-CZ 3.8Å; W444-F573 HydrophobicContact CB-CE2 4.46Å; W444-F573 HydrophobicContact CE3-CD2 4.13Å; W444-F573 HydrophobicContact CE3-CE1 4.26Å; W444-F573 AromaticContact CE3-CE2 3.71Å; W444-F573 HydrophobicContact CE3-CE2 3.71Å; W444-F573 AromaticContact CE3-CZ 3.78Å; W444-F573 HydrophobicContact CE3-CZ 3.78Å; W444-F573 HydrophobicContact CZ3-CE1 4.47Å; W444-F573 HydrophobicContact CZ3-CZ 4.43Å; M447-F573 HydrophobicContact CB-CD2 4.11Å; L448-F573 HydrophobicContact CD2-CD2 4.29Å; L448-F573 HydrophobicContact CD2-CE2 4.27Å; T571-F573 PolarHBondContact O-N 2.86Å; F573-R577 WeakPolarHBondContact O-CB 3.41Å; F573-R577 PolarHBondContact O-N 3.44Å
574	E	87.9	Confident	88.6	Confident	49 Å²	49	53.2 Å²	53.2	23%	0.229	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-46.2	173.2	-86.2	93.9	-142.2	0	0	111.8	K228 D570 T571 S576 R577 K578	K228-E574 VanDerWaalsContact NZ-CD 3.3Å; K228-E574 IonicContact NZ-OE1 2.71Å; K228-E574 PolarHBondContact NZ-OE1 3.33Å; K228-E574 IonicContact NZ-OE2 3.61Å; K228-E574 PolarHBondContact NZ-OE2 2.78Å; K228-E574 VanDerWaalsContact NZ-OE2 3.14Å; D570-E574 HydrophobicContact CB-CB 3.92Å; T571-E574 VanDerWaalsContact CB-OE2 3.24Å; T571-E574 WeakPolarHBondContact CB-OE2 3.47Å; T571-E574 WeakPolarHBondContact CG2-OE2 2.84Å; T571-E574 PolarHBondContact N-OE2 3.38Å; T571-E574 WeakPolarHBondContact O-CA 3.33Å; T571-E574 PolarHBondContact O-N 3.19Å; T571-E574 PolarHBondContact OG1-N 3.03Å; T571-E574 PolarHBondContact OG1-OE2 3.47Å; E574-S576 PolarHBondContact O-N 2.89Å; E574-R577 PolarHBondContact O-N 3.42Å; E574-K578 WeakPolarHBondContact O-CB 3.44Å; E574-K578 WeakPolarHBondContact O-CG 3.31Å; E574-K578 PolarHBondContact O-N 3.14Å
575	V	89.8	Confident	88.5	Confident	32 Å²	32	54.5 Å²	54.5	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-48.6	176.5	176	0	0	0	0	110.7	W483 L566 D570 T571 R577 K578 A579	W483-V575 HydrophobicContact CE3-CG1 4.42Å; W483-V575 HydrophobicContact CZ3-CG1 4.08Å; L566-V575 HydrophobicContact CD1-CG1 4.23Å; L566-V575 HydrophobicContact CD2-CG1 4.13Å; D570-V575 HydrophobicContact CB-CG2 3.61Å; T571-V575 PolarHBondContact O-N 3.38Å; V575-R577 VanDerWaalsContact C-N 3.31Å; V575-R577 PolarHBondContact O-N 3.25Å; V575-K578 PolarHBondContact O-N 3.08Å; V575-A579 VanDerWaalsContact O-CB 3.32Å; V575-A579 WeakPolarHBondContact O-CB 3.35Å; V575-A579 PolarHBondContact O-N 3.38Å
576	S	86.9	Confident	88.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-43.9	177.7	-59.5	0	0	0	0	111.8	W483 Y572 E574 S580	W483-S576 VanDerWaalsContact CH2-OG 3.24Å; W483-S576 WeakPolarHBondContact CH2-OG 3.21Å; W483-S576 WeakPolarHBondContact CZ2-OG 3.43Å; Y572-S576 VanDerWaalsContact O-CB 3.3Å; Y572-S576 WeakPolarHBondContact O-CB 3.38Å; Y572-S576 PolarHBondContact O-N 3.23Å; Y572-S576 PolarHBondContact O-OG 3.11Å; E574-S576 PolarHBondContact O-N 2.89Å; S576-S580 WeakPolarHBondContact O-CB 3.46Å; S576-S580 PolarHBondContact O-N 3Å; S576-S580 PolarHBondContact O-OG 3.11Å; S576-S580 VanDerWaalsContact O-OG 3.05Å
577	R	89	Confident	88.1	Confident	75 Å²	75	50.1 Å²	50.1	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-70	-44	-179.4	-164.3	-171.8	62.7	73.3	1.2	112.6	Y263 Y264 W444 F573 E574 V575 N581	Y263-R577 VanDerWaalsContact O-CG 3.24Å; Y263-R577 WeakPolarHBondContact O-CG 3.47Å; Y264-R577 HydrophobicContact CD1-CG 4.17Å; Y264-R577 HydrophobicContact CE1-CG 4Å; W444-R577 HydrophobicContact CH2-CB 3.93Å; W444-R577 HydrophobicContact CH2-CG 4.35Å; W444-R577 HydrophobicContact CZ3-CB 4.01Å; F573-R577 WeakPolarHBondContact O-CB 3.41Å; F573-R577 PolarHBondContact O-N 3.44Å; E574-R577 PolarHBondContact O-N 3.42Å; V575-R577 VanDerWaalsContact C-N 3.31Å; V575-R577 PolarHBondContact O-N 3.25Å; R577-N581 VanDerWaalsContact O-CB 3.24Å; R577-N581 WeakPolarHBondContact O-CB 3.43Å; R577-N581 PolarHBondContact O-N 3.42Å
578	K	92.1	Very high	88.1	Confident	42 Å²	42	43.9 Å²	43.9	18%	0.183	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-47.9	176.3	-75.7	173.4	161.3	-163.3	0	111.3	L565 L566 D570 E574 V575 W582	L565-K578 WeakPolarHBondContact O-CD 3.42Å; L565-K578 WeakPolarHBondContact O-CE 3.42Å; L565-K578 PolarHBondContact O-NZ 3.3Å; L566-K578 HydrophobicContact CD2-CB 3.91Å; L566-K578 HydrophobicContact CD2-CD 4.01Å; D570-K578 VanDerWaalsContact OD1-CE 3.25Å; D570-K578 WeakPolarHBondContact OD1-CE 3.5Å; D570-K578 IonicContact OD1-NZ 2.8Å; D570-K578 PolarHBondContact OD1-NZ 2.93Å; D570-K578 IonicContact OD2-NZ 2.8Å; D570-K578 PolarHBondContact OD2-NZ 3.17Å; E574-K578 WeakPolarHBondContact O-CB 3.44Å; E574-K578 WeakPolarHBondContact O-CG 3.31Å; E574-K578 PolarHBondContact O-N 3.14Å; V575-K578 PolarHBondContact O-N 3.08Å; K578-W582 WeakPolarHBondContact O-CB 3.48Å; K578-W582 PolarHBondContact O-N 3.17Å
579	A	89.5	Confident	88.5	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-55.4	177.3	0	0	0	0	0	111.4	W483 V575 N581 W582 L583	W483-A579 HydrophobicContact CB-CB 3.96Å; W483-A579 HydrophobicContact CD2-CB 3.86Å; W483-A579 HydrophobicContact CG-CB 3.54Å; V575-A579 VanDerWaalsContact O-CB 3.32Å; V575-A579 WeakPolarHBondContact O-CB 3.35Å; V575-A579 PolarHBondContact O-N 3.38Å; A579-N581 VanDerWaalsContact C-N 3.34Å; A579-N581 PolarHBondContact O-N 3.44Å; A579-W582 PolarHBondContact O-N 3.3Å; A579-L583 WeakPolarHBondContact O-CB 3Å; A579-L583 WeakPolarHBondContact O-CD1 3.4Å; A579-L583 WeakPolarHBondContact O-CG 3.28Å; A579-L583 PolarHBondContact O-N 3.36Å
580	S	85.4	Confident	88.6	Confident	20 Å²	20	32.5 Å²	32.5	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-56.1	-44.7	179.5	-67	0	0	0	0	112.8	S265 S576 L583 N584	S265-S580 VanDerWaalsContact OG-C 3.25Å; S265-S580 WeakPolarHBondContact OG-CB 3.36Å; S265-S580 PolarHBondContact OG-O 2.94Å; S576-S580 WeakPolarHBondContact O-CB 3.46Å; S576-S580 PolarHBondContact O-N 3Å; S576-S580 PolarHBondContact O-OG 3.11Å; S576-S580 VanDerWaalsContact O-OG 3.05Å; S580-L583 WeakPolarHBondContact O-CB 3.24Å; S580-L583 PolarHBondContact O-N 3.3Å; S580-N584 PolarHBondContact O-N 3.15Å
581	N	88.9	Confident	88.9	Confident	43 Å²	43	32 Å²	32	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-46.8	177.2	173.2	-114	0	0	0	113	G262 R577 A579 L583 N584 Q585	G262-N581 PolarHBondContact O-ND2 3.5Å; R577-N581 VanDerWaalsContact O-CB 3.24Å; R577-N581 WeakPolarHBondContact O-CB 3.43Å; R577-N581 PolarHBondContact O-N 3.42Å; A579-N581 VanDerWaalsContact C-N 3.34Å; A579-N581 PolarHBondContact O-N 3.44Å; N581-L583 PolarHBondContact O-N 3.35Å; N581-N584 PolarHBondContact O-N 3.01Å; N581-Q585 VanDerWaalsContact O-CG 3.3Å; N581-Q585 WeakPolarHBondContact O-CG 3.45Å; N581-Q585 PolarHBondContact O-N 3.42Å
582	W	91.4	Very high	89.3	Confident	34 Å²	34	33.9 Å²	33.9	13%	0.129	16%	0.158	C	C	.	.	H	α-helix	trans	-56.5	-38.6	174.1	175.7	78.2	0	0	0	111.6	Y561 E562 L564 K578 A579 Q585 R586	Y561-W582 AromaticContact CD1-CH2 3.39Å; Y561-W582 HydrophobicContact CD1-CH2 3.39Å; Y561-W582 HydrophobicContact CD1-CZ2 4.18Å; Y561-W582 AromaticContact CD1-CZ3 3.8Å; Y561-W582 HydrophobicContact CD1-CZ3 3.8Å; Y561-W582 AromaticContact CE1-CH2 3.8Å; Y561-W582 HydrophobicContact CE1-CH2 3.8Å; Y561-W582 AromaticContact CE1-CZ3 3.98Å; Y561-W582 HydrophobicContact CE1-CZ3 3.98Å; Y561-W582 HydrophobicContact CG-CH2 4.34Å; E562-W582 PolarHBondContact O-NE1 3.02Å; L564-W582 HydrophobicContact CB-CD2 3.88Å; L564-W582 HydrophobicContact CB-CE3 4.29Å; L564-W582 HydrophobicContact CB-CG 4.1Å; L564-W582 HydrophobicContact CB-CZ2 4.44Å; L564-W582 HydrophobicContact CD1-CB 3.99Å; L564-W582 HydrophobicContact CD1-CD2 4.18Å; L564-W582 HydrophobicContact CD1-CE3 4.2Å; L564-W582 HydrophobicContact CD1-CG 4.08Å; L564-W582 HydrophobicContact CD2-CD2 4.4Å; L564-W582 HydrophobicContact CD2-CE3 3.95Å; L564-W582 HydrophobicContact CD2-CZ3 4.08Å; L564-W582 HydrophobicContact CG-CD2 4.37Å; L564-W582 HydrophobicContact CG-CE3 4.37Å; K578-W582 WeakPolarHBondContact O-CB 3.48Å; K578-W582 PolarHBondContact O-N 3.17Å; A579-W582 PolarHBondContact O-N 3.3Å; W582-Q585 PolarHBondContact O-N 3.23Å; W582-R586 VanDerWaalsContact O-CB 3.27Å; W582-R586 WeakPolarHBondContact O-CB 3.38Å; W582-R586 PolarHBondContact O-N 3.46Å
583	L	85.7	Confident	89.8	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-41.4	179.4	-68.6	166.4	0	0	0	113.3	A579 S580 N581 E587 R624	A579-L583 WeakPolarHBondContact O-CB 3Å; A579-L583 WeakPolarHBondContact O-CD1 3.4Å; A579-L583 WeakPolarHBondContact O-CG 3.28Å; A579-L583 PolarHBondContact O-N 3.36Å; S580-L583 WeakPolarHBondContact O-CB 3.24Å; S580-L583 PolarHBondContact O-N 3.3Å; N581-L583 PolarHBondContact O-N 3.35Å; L583-E587 WeakPolarHBondContact O-CB 3.43Å; L583-E587 PolarHBondContact O-N 3.38Å; L583-R624 VanDerWaalsContact CD1-NH1 3.31Å
584	N	86.6	Confident	90.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-48.2	170.8	170.2	93.4	0	0	0	110.8	R261 V394 S580 N581 R586 E587 M588	R261-N584 VanDerWaalsContact CZ-OD1 3.24Å; R261-N584 PolarHBondContact NE-OD1 2.83Å; R261-N584 PolarHBondContact NH2-OD1 3.05Å; V394-N584 PolarHBondContact O-ND2 2.63Å; S580-N584 PolarHBondContact O-N 3.15Å; N581-N584 PolarHBondContact O-N 3.01Å; N584-R586 VanDerWaalsContact C-N 3.31Å; N584-R586 PolarHBondContact O-N 3.3Å; N584-E587 WeakPolarHBondContact O-CB 3.32Å; N584-E587 PolarHBondContact O-N 3.01Å; N584-M588 WeakPolarHBondContact O-CG 3.28Å; N584-M588 PolarHBondContact O-N 2.7Å
585	Q	90.5	Very high	90.3	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.243	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-44.1	179.5	-69.6	-69.9	-51.5	0	0	111.2	V394 P396 N581 W582 M588 L589	V394-Q585 PolarHBondContact O-NE2 2.89Å; V394-Q585 VanDerWaalsContact O-NE2 3.14Å; P396-Q585 VanDerWaalsContact CA-OE1 3.32Å; N581-Q585 VanDerWaalsContact O-CG 3.3Å; N581-Q585 WeakPolarHBondContact O-CG 3.45Å; N581-Q585 PolarHBondContact O-N 3.42Å; W582-Q585 PolarHBondContact O-N 3.23Å; Q585-M588 PolarHBondContact O-N 3.41Å; Q585-L589 WeakPolarHBondContact O-CB 3.48Å; Q585-L589 VanDerWaalsContact O-CG 3.31Å; Q585-L589 WeakPolarHBondContact O-CG 3.43Å; Q585-L589 PolarHBondContact O-N 2.92Å
586	R	89.4	Confident	90	Very high	68 Å²	68	39.2 Å²	39.2	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-45	174	-176.7	-174.9	-177.4	131.4	4.9	112.9	Y560 W582 N584 L589 E590	Y560-R586 PolarHBondContact O-NH1 2.93Å; W582-R586 VanDerWaalsContact O-CB 3.27Å; W582-R586 WeakPolarHBondContact O-CB 3.38Å; W582-R586 PolarHBondContact O-N 3.46Å; N584-R586 VanDerWaalsContact C-N 3.31Å; N584-R586 PolarHBondContact O-N 3.3Å; R586-L589 PolarHBondContact O-N 3.15Å; R586-E590 PolarHBondContact O-N 3.24Å
587	E	87.4	Confident	89.6	Confident	16 Å²	16	41.5 Å²	41.5	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-48.5	177.5	-170.4	-169.8	175.2	0	0	110.7	R261 Y273 L583 N584 L589 E590	R261-E587 IonicContact CZ-OE2 3.47Å; R261-E587 IonicContact NH2-OE2 3.41Å; R261-E587 PolarHBondContact NH2-OE2 3Å; Y273-E587 VanDerWaalsContact CA-OE1 3.31Å; Y273-E587 WeakPolarHBondContact CA-OE1 3.3Å; Y273-E587 WeakPolarHBondContact CB-OE1 3.43Å; L583-E587 WeakPolarHBondContact O-CB 3.43Å; L583-E587 PolarHBondContact O-N 3.38Å; N584-E587 WeakPolarHBondContact O-CB 3.32Å; N584-E587 PolarHBondContact O-N 3.01Å; E587-L589 VanDerWaalsContact C-N 3.35Å; E587-L589 PolarHBondContact O-N 3Å; E587-E590 PolarHBondContact O-N 3.36Å
588	M	92.2	Very high	89.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-36.2	179.5	-58.7	-53.9	92.6	0	0	112.2	M272 V274 M395 P396 N584 Q585 E590 L591	M272-M588 HydrophobicContact CE-SD 3.84Å; V274-M588 HydrophobicContact CG2-CE 3.9Å; V274-M588 HydrophobicContact CG2-SD 4.17Å; M395-M588 HydrophobicContact CE-SD 3.75Å; M395-M588 HydrophobicContact SD-CB 3.72Å; M395-M588 HydrophobicContact SD-CG 3.56Å; M395-M588 VanDerWaalsContact SD-CG 3.56Å; M395-M588 HydrophobicContact SD-SD 3.58Å; P396-M588 VanDerWaalsContact CD-CB 3.49Å; P396-M588 HydrophobicContact CG-CB 4.05Å; N584-M588 WeakPolarHBondContact O-CG 3.28Å; N584-M588 PolarHBondContact O-N 2.7Å; Q585-M588 PolarHBondContact O-N 3.41Å; M588-E590 PolarHBondContact O-N 3.34Å; M588-E590 VanDerWaalsContact O-N 3.15Å; M588-L591 VanDerWaalsContact O-CB 3.26Å; M588-L591 WeakPolarHBondContact O-CB 3.4Å; M588-L591 PolarHBondContact O-N 3.44Å
589	L	93.4	Very high	88.4	Confident	51 Å²	51	42.7 Å²	42.7	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.2	175.3	-76.4	172.3	0	0	0	114.2	P396 D398 V399 Q585 R586 E587 L591 L592 K593	P396-L589 HydrophobicContact CB-CD2 3.91Å; P396-L589 HydrophobicContact CB-CG 4.25Å; P396-L589 HydrophobicContact CG-CD2 3.83Å; P396-L589 HydrophobicContact CG-CG 3.7Å; D398-L589 HydrophobicContact CB-CD2 4.3Å; V399-L589 HydrophobicContact CG2-CD2 4.17Å; Q585-L589 WeakPolarHBondContact O-CB 3.48Å; Q585-L589 VanDerWaalsContact O-CG 3.31Å; Q585-L589 WeakPolarHBondContact O-CG 3.43Å; Q585-L589 PolarHBondContact O-N 2.92Å; R586-L589 PolarHBondContact O-N 3.15Å; E587-L589 VanDerWaalsContact C-N 3.35Å; E587-L589 PolarHBondContact O-N 3Å; L589-L591 VanDerWaalsContact C-N 3.28Å; L589-L592 HydrophobicContact CD2-CD1 4.18Å; L589-K593 PolarHBondContact O-NZ 3.04Å
590	E	91.7	Very high	87.4	Confident	30 Å²	30	44.2 Å²	44.2	14%	0.14	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.9	171.2	-60.9	-62	111.2	0	0	112.4	V274 N284 R586 E587 M588 L592 K593 R599	V274-E590 HydrophobicContact CG1-CB 4.23Å; N284-E590 PolarHBondContact ND2-O 3.03Å; R586-E590 PolarHBondContact O-N 3.24Å; E587-E590 PolarHBondContact O-N 3.36Å; M588-E590 PolarHBondContact O-N 3.34Å; M588-E590 VanDerWaalsContact O-N 3.15Å; E590-L592 PolarHBondContact O-N 3.4Å; E590-K593 WeakPolarHBondContact O-CB 3.38Å; E590-K593 PolarHBondContact O-N 2.92Å; E590-K593 IonicContact OE1-NZ 2.63Å; E590-K593 PolarHBondContact OE1-NZ 3.16Å; E590-R599 IonicContact OE2-CZ 2.67Å; E590-R599 IonicContact OE2-NH1 2.59Å; E590-R599 PolarHBondContact OE2-NH1 3.44Å
591	L	93.9	Very high	86.4	Confident	22 Å²	22	44 Å²	44	12%	0.115	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.3	178.6	-170.8	63.1	0	0	0	112.1	V274 V399 I402 M407 M588 L589 K593	V274-L591 HydrophobicContact CG1-CB 3.97Å; V274-L591 HydrophobicContact CG1-CD1 4.18Å; V274-L591 HydrophobicContact CG2-CB 4.09Å; V274-L591 HydrophobicContact CG2-CD1 4.47Å; V399-L591 HydrophobicContact CG1-CD2 4.01Å; I402-L591 HydrophobicContact CD1-CD2 4Å; I402-L591 HydrophobicContact CD1-CG 3.99Å; M407-L591 HydrophobicContact CE-CD2 3.8Å; M588-L591 VanDerWaalsContact O-CB 3.26Å; M588-L591 WeakPolarHBondContact O-CB 3.4Å; M588-L591 PolarHBondContact O-N 3.44Å; L589-L591 VanDerWaalsContact C-N 3.28Å; L591-K593 PolarHBondContact O-N 2.95Å
592	L	95.3	Very high	85.2	Confident	80 Å²	80	42 Å²	42	42%	0.419	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.8	175	-58.1	174.5	0	0	0	113.5	D398 V399 I402 L589 E590	D398-L592 HydrophobicContact CB-CD1 3.96Å; V399-L592 HydrophobicContact CG2-CD1 3.97Å; V399-L592 HydrophobicContact CG2-CG 4.09Å; I402-L592 HydrophobicContact CD1-CD2 3.73Å; I402-L592 HydrophobicContact CG1-CD2 3.95Å; I402-L592 HydrophobicContact CG2-CD2 4.23Å; L589-L592 HydrophobicContact CD2-CD1 4.18Å; E590-L592 PolarHBondContact O-N 3.4Å
593	K	94	Very high	83.8	Confident	86 Å²	86	40.4 Å²	40.4	37%	0.374	20%	0.2	S	C	.	.	S	Bend	trans	-123.3	148.7	-170.1	-56.5	-176.4	-173.4	101.7	0	111.7	N284 L589 E590 L591	N284-K593 PolarHBondContact ND2-O 3.26Å; L589-K593 PolarHBondContact O-NZ 3.04Å; E590-K593 WeakPolarHBondContact O-CB 3.38Å; E590-K593 PolarHBondContact O-N 2.92Å; E590-K593 IonicContact OE1-NZ 2.63Å; E590-K593 PolarHBondContact OE1-NZ 3.16Å; L591-K593 PolarHBondContact O-N 2.95Å
594	P	94	Very high	82.8	Confident	101 Å²	101	40 Å²	40	66%	0.656	20%	0.197	S	C	*	.	B	Isolated β-bridge	trans	-61.1	150.8	165.3	28.9	-35.1	0	0	0	110.4	T282 N596	T282-P594 WeakPolarHBondContact O-CA 3.45Å; T282-P594 WeakPolarHBondContact O-CB 3.34Å; P594-N596 PolarHBondContact O-N 2.62Å
595	F	89.2	Confident	81.3	Confident	13 Å²	13	41.2 Å²	41.2	6%	0.057	21%	0.208	C	C	.	.			trans	-75.3	125.3	179.8	179.7	-108.4	0	0	0	110.5	Y275 A276 T281 T282 N284 R597 K615	Y275-F595 AromaticContact CD2-CE2 3.85Å; Y275-F595 HydrophobicContact CD2-CE2 3.85Å; Y275-F595 HydrophobicContact CD2-CZ 4.38Å; Y275-F595 AromaticContact CE2-CE2 3.61Å; Y275-F595 HydrophobicContact CE2-CE2 3.61Å; Y275-F595 AromaticContact CE2-CZ 3.74Å; Y275-F595 HydrophobicContact CE2-CZ 3.74Å; Y275-F595 AromaticContact CZ-CZ 3.96Å; A276-F595 HydrophobicContact CB-CD1 3.77Å; A276-F595 HydrophobicContact CB-CD2 3.91Å; A276-F595 HydrophobicContact CB-CE1 3.7Å; A276-F595 HydrophobicContact CB-CE2 3.87Å; A276-F595 HydrophobicContact CB-CG 3.85Å; A276-F595 HydrophobicContact CB-CZ 3.74Å; T281-F595 WeakPolarHBondContact O-CD1 3.28Å; T282-F595 PolarHBondContact O-N 3.49Å; N284-F595 WeakPolarHBondContact OD1-CD2 3.45Å; F595-R597 HydrophobicContact CD1-CG 4.03Å; F595-R597 HydrophobicContact CE1-CG 3.98Å; F595-K615 HydrophobicContact CE1-CG 3.69Å; F595-K615 HydrophobicContact CZ-CD 4.2Å; F595-K615 HydrophobicContact CZ-CG 3.54Å
596	N	84.6	Confident	79.7	Confident	76 Å²	76	40.7 Å²	40.7	41%	0.406	21%	0.206	S	C	.	.			trans	-98.4	98	-179.2	-177.4	2.3	0	0	0	110.6	P594 N598 R599	P594-N596 PolarHBondContact O-N 2.62Å; N596-N598 PolarHBondContact O-N 3.39Å; N596-N598 WeakPolarHBondContact OD1-CA 3.48Å; N596-N598 WeakPolarHBondContact OD1-CB 3.47Å; N596-N598 PolarHBondContact OD1-N 3.24Å; N596-R599 HydrophobicContact CB-CB 4.07Å; N596-R599 VanDerWaalsContact O-CB 3.25Å; N596-R599 WeakPolarHBondContact O-CB 3.29Å; N596-R599 PolarHBondContact O-N 2.89Å; N596-R599 VanDerWaalsContact O-N 3.07Å; N596-R599 PolarHBondContact OD1-N 2.57Å
597	R	78.4	Confident	77.6	Confident	47 Å²	47	39.5 Å²	39.5	18%	0.177	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34	174.7	-67.4	175	60.2	-163.4	-0.6	112.6	F595 R599 K615 V617 K682 N683	F595-R597 HydrophobicContact CD1-CG 4.03Å; F595-R597 HydrophobicContact CE1-CG 3.98Å; R597-R599 VanDerWaalsContact C-N 3.28Å; R597-R599 PolarHBondContact O-N 3Å; R597-K615 VanDerWaalsContact CZ-O 3.29Å; R597-K615 PolarHBondContact NE-O 2.88Å; R597-K615 PolarHBondContact NH2-O 2.65Å; R597-V617 HydrophobicContact CB-CG2 4.3Å; R597-K682 PolarHBondContact NH2-O 3.09Å; R597-N683 PolarHBondContact NE-O 3.3Å; R597-N683 PolarHBondContact NH1-OD1 2.85Å
598	N	77.9	Confident	75.7	Confident	97 Å²	97	39.5 Å²	39.5	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.5	-179.6	-58.3	-17.2	0	0	0	113.6	H544 N596 F600	H544-N598 VanDerWaalsContact CE1-C 3.47Å; H544-N598 PolarHBondContact CE1-O 2.79Å; H544-N598 VanDerWaalsContact CE1-O 3.24Å; N596-N598 PolarHBondContact O-N 3.39Å; N596-N598 WeakPolarHBondContact OD1-CA 3.48Å; N596-N598 WeakPolarHBondContact OD1-CB 3.47Å; N596-N598 PolarHBondContact OD1-N 3.24Å; N598-F600 PolarHBondContact O-N 3.38Å
599	R	76.9	Confident	73.7	Confident	45 Å²	45	39.8 Å²	39.8	17%	0.17	21%	0.209	C	C	.	.			trans	-77.2	113.1	177.5	-149	177.7	70.3	-155.7	-12.5	109.6	E590 N596 R597 D601 K615 S619 M621	E590-R599 IonicContact OE2-CZ 2.67Å; E590-R599 IonicContact OE2-NH1 2.59Å; E590-R599 PolarHBondContact OE2-NH1 3.44Å; N596-R599 HydrophobicContact CB-CB 4.07Å; N596-R599 VanDerWaalsContact O-CB 3.25Å; N596-R599 WeakPolarHBondContact O-CB 3.29Å; N596-R599 PolarHBondContact O-N 2.89Å; N596-R599 VanDerWaalsContact O-N 3.07Å; N596-R599 PolarHBondContact OD1-N 2.57Å; R597-R599 VanDerWaalsContact C-N 3.28Å; R597-R599 PolarHBondContact O-N 3Å; R599-D601 IonicContact CZ-OD1 3.42Å; R599-D601 IonicContact CZ-OD2 3.4Å; R599-D601 VanDerWaalsContact NE-CG 3.3Å; R599-D601 IonicContact NE-OD1 3.94Å; R599-D601 PolarHBondContact NE-OD1 3.1Å; R599-D601 IonicContact NE-OD2 3.66Å; R599-D601 PolarHBondContact NE-OD2 3.07Å; R599-D601 VanDerWaalsContact NE-OD2 3.15Å; R599-D601 VanDerWaalsContact NH2-CG 3.26Å; R599-D601 IonicContact NH2-OD1 3.7Å; R599-D601 PolarHBondContact NH2-OD1 3.08Å; R599-D601 IonicContact NH2-OD2 2.69Å; R599-D601 PolarHBondContact NH2-OD2 2.86Å; R599-D601 PolarHBondContact O-N 3.34Å; R599-K615 PolarHBondContact O-NZ 3.04Å; R599-S619 PolarHBondContact O-OG 3.05Å; R599-M621 PolarHBondContact NH2-SD 3.15Å
600	F	69.5	Low	71.9	Confident	35 Å²	35	38.7 Å²	38.7	15%	0.154	20%	0.202	C	C	.	.			trans	-66.2	125	162.5	-84.8	-109.5	0	0	0	108.4	M486 H544 Y547 P548 N598	M486-F600 HydrophobicContact CE-CB 4.42Å; M486-F600 WeakPolarHBondContact CE-O 3.42Å; H544-F600 HydrophobicContact CB-CD1 4.02Å; H544-F600 HydrophobicContact CB-CD2 4.25Å; H544-F600 HydrophobicContact CB-CE1 3.55Å; H544-F600 HydrophobicContact CB-CE2 3.79Å; H544-F600 HydrophobicContact CB-CG 4.37Å; H544-F600 HydrophobicContact CB-CZ 3.43Å; H544-F600 VanDerWaalsContact CB-CZ 3.43Å; H544-F600 AromaticContact CD2-CE2 3.71Å; H544-F600 AromaticContact CE1-CD2 3.46Å; H544-F600 VanDerWaalsContact CE1-CD2 3.46Å; H544-F600 WeakPolarHBondContact CE1-CD2 3.44Å; H544-F600 AromaticContact CE1-CE2 3.86Å; H544-F600 AromaticContact CG-CD2 3.59Å; H544-F600 AromaticContact CG-CE1 4Å; H544-F600 AromaticContact CG-CE2 3.35Å; H544-F600 AromaticContact CG-CZ 3.59Å; H544-F600 AromaticContact ND1-CD1 3.89Å; H544-F600 AromaticContact ND1-CD2 3.1Å; H544-F600 WeakPolarHBondContact ND1-CD2 3.28Å; H544-F600 AromaticContact ND1-CE2 3.42Å; H544-F600 WeakPolarHBondContact ND1-CE2 3.41Å; H544-F600 AromaticContact ND1-CG 3.39Å; H544-F600 WeakPolarHBondContact ND1-CG 3.13Å; H544-F600 AromaticContact ND1-CZ 3.95Å; Y547-F600 VanDerWaalsContact C-CZ 3.5Å; Y547-F600 WeakPolarHBondContact O-CZ 3.42Å; P548-F600 HydrophobicContact CB-CB 3.71Å; P548-F600 HydrophobicContact CB-CD1 3.99Å; P548-F600 HydrophobicContact CB-CD2 3.58Å; P548-F600 HydrophobicContact CB-CE1 4.4Å; P548-F600 HydrophobicContact CB-CE2 4.05Å; P548-F600 HydrophobicContact CB-CG 3.53Å; P548-F600 HydrophobicContact CB-CZ 4.42Å; P548-F600 VanDerWaalsContact CD-CD1 3.45Å; P548-F600 HydrophobicContact CG-CB 3.62Å; P548-F600 HydrophobicContact CG-CD1 3.84Å; P548-F600 HydrophobicContact CG-CD2 4.29Å; P548-F600 HydrophobicContact CG-CE1 4.46Å; P548-F600 HydrophobicContact CG-CG 3.71Å; N598-F600 PolarHBondContact O-N 3.38Å
601	D	64.8	Low	70.4	Confident	14 Å²	14	37.6 Å²	37.6	8%	0.075	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-130.9	36.9	-174.6	-68.8	-45.9	0	0	0	110.8	R599 K615 T620 M621 V622	R599-D601 IonicContact CZ-OD1 3.42Å; R599-D601 IonicContact CZ-OD2 3.4Å; R599-D601 VanDerWaalsContact NE-CG 3.3Å; R599-D601 IonicContact NE-OD1 3.94Å; R599-D601 PolarHBondContact NE-OD1 3.1Å; R599-D601 IonicContact NE-OD2 3.66Å; R599-D601 PolarHBondContact NE-OD2 3.07Å; R599-D601 VanDerWaalsContact NE-OD2 3.15Å; R599-D601 VanDerWaalsContact NH2-CG 3.26Å; R599-D601 IonicContact NH2-OD1 3.7Å; R599-D601 PolarHBondContact NH2-OD1 3.08Å; R599-D601 IonicContact NH2-OD2 2.69Å; R599-D601 PolarHBondContact NH2-OD2 2.86Å; R599-D601 PolarHBondContact O-N 3.34Å; D601-K615 IonicContact OD2-NZ 2.76Å; D601-K615 PolarHBondContact OD2-NZ 3.17Å; D601-T620 CarbonylContact C-O 3.49Å; D601-T620 WeakPolarHBondContact CA-O 3.33Å; D601-T620 VanDerWaalsContact CB-O 3.23Å; D601-T620 WeakPolarHBondContact CB-O 3.03Å; D601-T620 PolarHBondContact N-O 3.41Å; D601-M621 VanDerWaalsContact CB-CA 3.41Å; D601-M621 HydrophobicContact CB-CB 3.67Å; D601-M621 HydrophobicContact CB-CG 3.78Å; D601-M621 WeakPolarHBondContact O-CA 3.32Å; D601-V622 PolarHBondContact O-N 2.96Å
602	T	63.1	Low	69.3	Low	3 Å²	3	36.6 Å²	36.6	2%	0.018	19%	0.192	C	C	.	.	S	Bend	trans	-152.2	146.5	-177	-76.6	0	0	0	0	112.3	P604 I606 T620 A637	T602-P604 WeakPolarHBondContact O-CD 3.29Å; T602-I606 HydrophobicContact CG2-CD1 3.89Å; T602-T620 WeakPolarHBondContact OG1-CB 3.11Å; T602-T620 PolarHBondContact OG1-O 3.15Å; T602-T620 PolarHBondContact OG1-OG1 3.44Å; T602-A637 HydrophobicContact CG2-CB 3.75Å
603	S	62.7	Low	68.4	Low	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-65.2	127.5	177.1	-165	0	0	0	0	112.3	E485 A605 I606 P639	E485-S603 WeakPolarHBondContact O-CA 3.09Å; E485-S603 VanDerWaalsContact O-CB 3.29Å; E485-S603 WeakPolarHBondContact O-CB 3.07Å; E485-S603 PolarHBondContact O-OG 2.71Å; S603-A605 PolarHBondContact O-N 3.04Å; S603-A605 PolarHBondContact OG-N 2.82Å; S603-I606 PolarHBondContact O-N 2.78Å; S603-I606 VanDerWaalsContact O-N 3.12Å; S603-P639 WeakPolarHBondContact O-CB 3.11Å
604	P	64.4	Low	67.6	Low	2 Å²	2	29.7 Å²	29.7	1%	0.013	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-20.8	162.1	-29.3	34	0	0	0	115.5	V493 I551 T602 P639 A640 G641	V493-P604 HydrophobicContact CG2-CB 3.72Å; V493-P604 HydrophobicContact CG2-CG 4.47Å; I551-P604 HydrophobicContact CD1-CG 3.76Å; T602-P604 WeakPolarHBondContact O-CD 3.29Å; P604-P639 VanDerWaalsContact O-CB 3.31Å; P604-P639 WeakPolarHBondContact O-CB 3.02Å; P604-A640 HydrophobicContact CB-CB 4.5Å; P604-A640 PolarHBondContact O-N 3.3Å; P604-G641 PolarHBondContact O-N 2.93Å; P604-G641 VanDerWaalsContact O-N 3.08Å
605	A	53.8	Low	66.4	Low	28 Å²	28	24.9 Å²	24.9	23%	0.231	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.9	-179.2	0	0	0	0	0	114.4	Y492 S603	Y492-A605 HydrophobicContact CD1-CB 4.36Å; Y492-A605 HydrophobicContact CD2-CB 4.32Å; Y492-A605 HydrophobicContact CG-CB 3.88Å; S603-A605 PolarHBondContact O-N 3.04Å; S603-A605 PolarHBondContact OG-N 2.82Å
606	I	56.9	Low	65.2	Low	40 Å²	40	24.2 Å²	24.2	21%	0.205	13%	0.126	C	C	.	.			trans	-83.4	151	175.3	-75.6	161.8	0	0	0	110.4	T602 S603 N608 P639 G641	T602-I606 HydrophobicContact CG2-CD1 3.89Å; S603-I606 PolarHBondContact O-N 2.78Å; S603-I606 VanDerWaalsContact O-N 3.12Å; I606-N608 HydrophobicContact CG2-CB 3.84Å; I606-P639 HydrophobicContact CB-CG 4.23Å; I606-P639 HydrophobicContact CG2-CG 4.37Å; I606-P639 VanDerWaalsContact O-CB 3.29Å; I606-P639 WeakPolarHBondContact O-CB 3.31Å; I606-P639 VanDerWaalsContact O-CG 3.23Å; I606-P639 WeakPolarHBondContact O-CG 3.42Å; I606-G641 WeakPolarHBondContact O-CA 3.29Å
607	V	46	Very low	63.4	Low	44 Å²	44	20.6 Å²	20.6	27%	0.267	11%	0.106	S	C	.	.			trans	-110.1	86	174.3	-170.6	0	0	0	0	107.7	G641 I642 F647	V607-G641 WeakPolarHBondContact CG2-O 3.47Å; V607-I642 HydrophobicContact CG1-CB 4.35Å; V607-I642 HydrophobicContact CG1-CG1 4.25Å; V607-F647 HydrophobicContact CG1-CE2 3.71Å; V607-F647 HydrophobicContact CG1-CZ 4.22Å
608	N	48.1	Very low	62.2	Low	15 Å²	15	18.4 Å²	18.4	8%	0.08	10%	0.098	C	C	.	.			trans	-160	170.5	178.4	-156.7	15.2	0	0	0	113.5	I606 F610 P639 F784	I606-N608 HydrophobicContact CG2-CB 3.84Å; N608-F610 HydrophobicContact CB-CD2 4.11Å; N608-F610 HydrophobicContact CB-CE2 3.65Å; N608-F610 HydrophobicContact CB-CZ 3.98Å; N608-F610 WeakPolarHBondContact ND2-CD1 3.16Å; N608-F610 WeakPolarHBondContact ND2-CD2 3.44Å; N608-F610 WeakPolarHBondContact ND2-CE1 3.49Å; N608-F610 VanDerWaalsContact ND2-CE2 3.31Å; N608-F610 WeakPolarHBondContact ND2-CE2 3.23Å; N608-F610 VanDerWaalsContact ND2-CG 3.27Å; N608-F610 WeakPolarHBondContact ND2-CG 3.33Å; N608-F610 WeakPolarHBondContact ND2-CZ 3.44Å; N608-P639 WeakPolarHBondContact O-CD 3.03Å; N608-F784 HydrophobicContact CB-CE2 4.13Å; N608-F784 WeakPolarHBondContact OD1-CE2 3.21Å; N608-F784 WeakPolarHBondContact OD1-CZ 3.34Å
609	A	48.4	Very low	60.1	Low	6 Å²	6	13.8 Å²	13.8	5%	0.05	7%	0.073	C	C	.	.			trans	-152.4	154.7	161	0	0	0	0	0	107.5	V636 F638 I642 V664 E668	A609-V636 HydrophobicContact CB-CG1 3.86Å; A609-F638 HydrophobicContact CB-CD1 3.87Å; A609-F638 HydrophobicContact CB-CE1 3.48Å; A609-F638 VanDerWaalsContact CB-CE1 3.48Å; A609-F638 HydrophobicContact CB-CZ 4.29Å; A609-I642 HydrophobicContact CB-CD1 4.4Å; A609-V664 HydrophobicContact CB-CG1 3.44Å; A609-V664 VanDerWaalsContact CB-CG1 3.44Å; A609-E668 VanDerWaalsContact C-CD 3.46Å; A609-E668 HydrophobicContact CB-CG 3.93Å; A609-E668 WeakPolarHBondContact CB-OE1 3.41Å
610	F	56.5	Low	57.8	Low	28 Å²	28	12 Å²	12	12%	0.123	7%	0.067	C	C	.	.			trans	177.1	156.6	-163.3	42.3	164.3	0	0	0	110.2	N608 T620 L634 V635 V636 E668	N608-F610 HydrophobicContact CB-CD2 4.11Å; N608-F610 HydrophobicContact CB-CE2 3.65Å; N608-F610 HydrophobicContact CB-CZ 3.98Å; N608-F610 WeakPolarHBondContact ND2-CD1 3.16Å; N608-F610 WeakPolarHBondContact ND2-CD2 3.44Å; N608-F610 WeakPolarHBondContact ND2-CE1 3.49Å; N608-F610 VanDerWaalsContact ND2-CE2 3.31Å; N608-F610 WeakPolarHBondContact ND2-CE2 3.23Å; N608-F610 VanDerWaalsContact ND2-CG 3.27Å; N608-F610 WeakPolarHBondContact ND2-CG 3.33Å; N608-F610 WeakPolarHBondContact ND2-CZ 3.44Å; F610-T620 HydrophobicContact CD1-CG2 3.99Å; F610-T620 HydrophobicContact CD2-CG2 4.38Å; F610-T620 HydrophobicContact CE1-CG2 3.42Å; F610-T620 VanDerWaalsContact CE1-CG2 3.42Å; F610-T620 HydrophobicContact CE2-CG2 3.91Å; F610-T620 WeakPolarHBondContact CE2-OG1 3.43Å; F610-T620 HydrophobicContact CG-CG2 4.45Å; F610-T620 HydrophobicContact CZ-CG2 3.38Å; F610-T620 WeakPolarHBondContact CZ-OG1 3Å; F610-L634 VanDerWaalsContact CB-C 3.42Å; F610-L634 VanDerWaalsContact CB-CA 3.46Å; F610-L634 HydrophobicContact CB-CB 3.52Å; F610-L634 HydrophobicContact CB-CD2 3.39Å; F610-L634 HydrophobicContact CB-CG 4.04Å; F610-L634 HydrophobicContact CD1-CD2 4.01Å; F610-L634 HydrophobicContact CG-CD2 4.22Å; F610-V635 VanDerWaalsContact C-C 3.42Å; F610-V635 VanDerWaalsContact CD1-N 3.34Å; F610-V635 WeakPolarHBondContact CD2-O 3.35Å; F610-V635 WeakPolarHBondContact CE2-O 3.13Å; F610-V635 VanDerWaalsContact CG-O 3.26Å; F610-V635 WeakPolarHBondContact CG-O 3.31Å; F610-V635 CarbonylContact O-C 3.32Å; F610-V635 WeakPolarHBondContact O-CA 3.49Å; F610-V635 PolarHBondContact O-N 2.94Å; F610-V636 WeakPolarHBondContact O-CA 3.17Å; F610-V636 WeakPolarHBondContact O-CB 3.39Å; F610-V636 WeakPolarHBondContact O-CG2 3.34Å; F610-V636 PolarHBondContact O-N 2.64Å; F610-E668 WeakPolarHBondContact CA-OE2 3.45Å; F610-E668 PolarHBondContact N-OE1 3.13Å; F610-E668 PolarHBondContact N-OE2 3.42Å
611	Y	59.7	Low	56	Low	8 Å²	8	11.9 Å²	11.9	3%	0.031	7%	0.068	C	C	.	.			trans	-129	142.6	-178.5	156.6	-73.3	0	0	0	123.7	M541 P613 N616 I618 L634 V635 E668 H671	M541-Y611 HydrophobicContact CE-CD2 3.55Å; M541-Y611 HydrophobicContact CE-CE2 3.26Å; M541-Y611 HydrophobicContact CE-CG 4.45Å; Y611-P613 HydrophobicContact CE1-CG 4.37Å; Y611-N616 PolarHBondContact OH-OD1 3.34Å; Y611-N616 VanDerWaalsContact OH-OD1 3.05Å; Y611-I618 HydrophobicContact CD2-CG1 4.2Å; Y611-L634 CarbonylContact C-O 3.06Å; Y611-L634 VanDerWaalsContact CA-O 3.25Å; Y611-L634 WeakPolarHBondContact CA-O 3.29Å; Y611-L634 PolarHBondContact N-O 3.32Å; Y611-V635 VanDerWaalsContact CA-CA 3.47Å; Y611-E668 VanDerWaalsContact CB-O 3.24Å; Y611-E668 WeakPolarHBondContact CB-O 3.44Å; Y611-H671 HydrophobicContact CD1-CB 3.71Å; Y611-H671 VanDerWaalsContact CD1-O 3.32Å; Y611-H671 WeakPolarHBondContact CD1-O 3.4Å; Y611-H671 WeakPolarHBondContact CE1-O 3.09Å; Y611-H671 HydrophobicContact CG-CB 3.96Å
612	S	70.9	Confident	54.3	Low	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-97.8	123.1	-177.3	167.5	0	0	0	0	116.5	Y275 E614 K615 N616	Y275-S612 PolarHBondContact OH-OG 3.14Å; S612-E614 PolarHBondContact OG-N 3.39Å; S612-K615 PolarHBondContact OG-N 2.91Å; S612-N616 PolarHBondContact O-N 2.96Å
613	P	76.5	Confident	52.7	Low	11 Å²	11	13.4 Å²	13.4	7%	0.071	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-51.9	171.4	-18.3	31.7	0	0	0	114.5	Y611 K615 N616 Y680 G684	Y611-P613 HydrophobicContact CE1-CG 4.37Å; P613-K615 PolarHBondContact O-N 2.99Å; P613-K615 VanDerWaalsContact O-N 3.15Å; P613-N616 PolarHBondContact O-N 2.79Å; P613-Y680 HydrophobicContact CB-CD1 3.55Å; P613-Y680 HydrophobicContact CB-CD2 3.35Å; P613-Y680 HydrophobicContact CB-CE1 3.65Å; P613-Y680 HydrophobicContact CB-CE2 3.48Å; P613-Y680 VanDerWaalsContact CB-CE2 3.48Å; P613-Y680 HydrophobicContact CB-CG 3.38Å; P613-Y680 HydrophobicContact CG-CD2 4.21Å; P613-Y680 HydrophobicContact CG-CE2 4.05Å; P613-G684 WeakPolarHBondContact O-CA 2.97Å
614	E	77.1	Confident	51.6	Low	10 Å²	10	15.8 Å²	15.8	5%	0.047	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.1	-173.1	-63.5	72.3	-163.8	0	0	113.8	Y275 A276 A278 T281 S612 M633 Y680 G684	Y275-E614 HydrophobicContact CD1-CG 4.28Å; Y275-E614 HydrophobicContact CE1-CB 3.73Å; Y275-E614 HydrophobicContact CE1-CG 3.64Å; A276-E614 HydrophobicContact CB-CB 3.83Å; A276-E614 HydrophobicContact CB-CG 4.17Å; A278-E614 HydrophobicContact CB-CG 4.46Å; T281-E614 HydrophobicContact CG2-CB 4.45Å; T281-E614 WeakPolarHBondContact CG2-O 3.38Å; S612-E614 PolarHBondContact OG-N 3.39Å; E614-M633 WeakPolarHBondContact OE2-CE 3.15Å; E614-Y680 HydrophobicContact CG-CE1 3.93Å; E614-Y680 WeakPolarHBondContact OE1-CE1 3.17Å; E614-Y680 VanDerWaalsContact OE1-CZ 3.28Å; E614-Y680 PolarHBondContact OE1-OH 3.02Å; E614-G684 WeakPolarHBondContact CA-O 3.5Å
615	K	69.1	Low	50	Low	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-24.7	173.3	-68.2	-171	168.6	179.2	0	112	F595 R597 R599 D601 S612 P613 V617	F595-K615 HydrophobicContact CE1-CG 3.69Å; F595-K615 HydrophobicContact CZ-CD 4.2Å; F595-K615 HydrophobicContact CZ-CG 3.54Å; R597-K615 VanDerWaalsContact CZ-O 3.29Å; R597-K615 PolarHBondContact NE-O 2.88Å; R597-K615 PolarHBondContact NH2-O 2.65Å; R599-K615 PolarHBondContact O-NZ 3.04Å; D601-K615 IonicContact OD2-NZ 2.76Å; D601-K615 PolarHBondContact OD2-NZ 3.17Å; S612-K615 PolarHBondContact OG-N 2.91Å; P613-K615 PolarHBondContact O-N 2.99Å; P613-K615 VanDerWaalsContact O-N 3.15Å; K615-V617 HydrophobicContact CB-CB 3.58Å; K615-V617 HydrophobicContact CB-CG2 3.72Å; K615-V617 HydrophobicContact CD-CB 4.47Å; K615-V617 WeakPolarHBondContact O-CG2 3.48Å; K615-V617 PolarHBondContact O-N 3Å
616	N	63.3	Low	49.2	Very low	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	40	42.6	-152.8	-167.6	43	0	0	0	110.7	K537 M541 I542 Y611 S612 P613 K682	K537-N616 WeakPolarHBondContact CE-OD1 3.28Å; K537-N616 PolarHBondContact O-ND2 2.91Å; K537-N616 VanDerWaalsContact O-ND2 3.15Å; M541-N616 WeakPolarHBondContact CA-O 3.48Å; I542-N616 PolarHBondContact N-O 3.26Å; Y611-N616 PolarHBondContact OH-OD1 3.34Å; Y611-N616 VanDerWaalsContact OH-OD1 3.05Å; S612-N616 PolarHBondContact O-N 2.96Å; P613-N616 PolarHBondContact O-N 2.79Å; N616-K682 WeakPolarHBondContact CB-O 3.13Å; N616-K682 PolarHBondContact ND2-O 3.4Å
617	V	47.1	Very low	48.1	Very low	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.2	-174.9	-179.7	0	0	0	0	108.2	I542 R597 K615 S619	I542-V617 HydrophobicContact CB-CB 4.2Å; I542-V617 HydrophobicContact CB-CG1 3.91Å; I542-V617 HydrophobicContact CB-CG2 3.57Å; I542-V617 HydrophobicContact CD1-CG2 3.57Å; I542-V617 HydrophobicContact CG1-CG2 4.11Å; I542-V617 HydrophobicContact CG2-CG1 3.95Å; I542-V617 HydrophobicContact CG2-CG2 4.17Å; I542-V617 WeakPolarHBondContact O-CA 3.47Å; I542-V617 WeakPolarHBondContact O-CG1 3.4Å; R597-V617 HydrophobicContact CB-CG2 4.3Å; K615-V617 HydrophobicContact CB-CB 3.58Å; K615-V617 HydrophobicContact CB-CG2 3.72Å; K615-V617 HydrophobicContact CD-CB 4.47Å; K615-V617 WeakPolarHBondContact O-CG2 3.48Å; K615-V617 PolarHBondContact O-N 3Å; V617-S619 VanDerWaalsContact CG1-CB 3.43Å; V617-S619 PolarHBondContact O-N 3.21Å
618	I	53.3	Low	47.5	Very low	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	83.2	158.4	-73.8	169.3	0	0	0	105	I542 N543 H544 Y611 V636 F638 I669	I542-I618 WeakPolarHBondContact O-CB 3.41Å; I542-I618 PolarHBondContact O-N 2.86Å; N543-I618 WeakPolarHBondContact OD1-CD1 3.49Å; H544-I618 VanDerWaalsContact CB-O 3.24Å; H544-I618 WeakPolarHBondContact CB-O 3.45Å; H544-I618 PolarHBondContact N-O 3.06Å; Y611-I618 HydrophobicContact CD2-CG1 4.2Å; I618-V636 CarbonylContact C-O 3.59Å; I618-V636 HydrophobicContact CB-CB 3.83Å; I618-V636 HydrophobicContact CB-CG2 3.85Å; I618-V636 HydrophobicContact CG1-CB 4.31Å; I618-V636 HydrophobicContact CG1-CG2 3.75Å; I618-V636 HydrophobicContact CG2-CB 3.42Å; I618-V636 VanDerWaalsContact CG2-CB 3.42Å; I618-V636 HydrophobicContact CG2-CG1 3.61Å; I618-V636 HydrophobicContact CG2-CG2 3.72Å; I618-F638 HydrophobicContact CG2-CD2 4.08Å; I618-F638 HydrophobicContact CG2-CE2 3.82Å; I618-I669 HydrophobicContact CD1-CG1 4.33Å
619	S	34.6	Very low	46.8	Very low	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.078	C	C	.	.			trans	-168.9	102.4	175.6	178.2	0	0	0	0	117.7	H544 R599 V617 V635 V636	H544-S619 PolarHBondContact CE1-OG 3.44Å; H544-S619 WeakPolarHBondContact ND1-CB 3.29Å; H544-S619 PolarHBondContact ND1-OG 3.13Å; R599-S619 PolarHBondContact O-OG 3.05Å; V617-S619 VanDerWaalsContact CG1-CB 3.43Å; V617-S619 PolarHBondContact O-N 3.21Å; S619-V635 WeakPolarHBondContact O-CG1 3.32Å; S619-V636 WeakPolarHBondContact CA-O 3.35Å; S619-V636 VanDerWaalsContact N-C 3.27Å; S619-V636 PolarHBondContact N-O 3.48Å
620	T	28.7	Very low	46.2	Very low	6 Å²	6	19.8 Å²	19.8	4%	0.037	10%	0.096	C	C	.	.			trans	-60	147.7	-176.8	0.6	0	0	0	0	114.4	D601 T602 F610 V635 A637	D601-T620 CarbonylContact C-O 3.49Å; D601-T620 WeakPolarHBondContact CA-O 3.33Å; D601-T620 VanDerWaalsContact CB-O 3.23Å; D601-T620 WeakPolarHBondContact CB-O 3.03Å; D601-T620 PolarHBondContact N-O 3.41Å; T602-T620 WeakPolarHBondContact OG1-CB 3.11Å; T602-T620 PolarHBondContact OG1-O 3.15Å; T602-T620 PolarHBondContact OG1-OG1 3.44Å; F610-T620 HydrophobicContact CD1-CG2 3.99Å; F610-T620 HydrophobicContact CD2-CG2 4.38Å; F610-T620 HydrophobicContact CE1-CG2 3.42Å; F610-T620 VanDerWaalsContact CE1-CG2 3.42Å; F610-T620 HydrophobicContact CE2-CG2 3.91Å; F610-T620 WeakPolarHBondContact CE2-OG1 3.43Å; F610-T620 HydrophobicContact CG-CG2 4.45Å; F610-T620 HydrophobicContact CZ-CG2 3.38Å; F610-T620 WeakPolarHBondContact CZ-OG1 3Å; T620-V635 VanDerWaalsContact CA-CG1 3.41Å; T620-V635 WeakPolarHBondContact CA-O 3.49Å; T620-V635 WeakPolarHBondContact CB-O 3.12Å; T620-V635 HydrophobicContact CG2-CB 3.58Å; T620-V635 HydrophobicContact CG2-CG1 4.48Å; T620-V635 HydrophobicContact CG2-CG2 4.42Å; T620-V635 WeakPolarHBondContact CG2-O 3.45Å; T620-V635 PolarHBondContact N-O 3.34Å; T620-V635 VanDerWaalsContact N-O 3.16Å; T620-V635 PolarHBondContact OG1-O 2.93Å; T620-A637 PolarHBondContact OG1-N 2.98Å
621	M	31.1	Very low	44.9	Very low	33 Å²	33	20 Å²	20	16%	0.163	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-111.4	117.5	158.5	179.3	163.6	167.5	0	0	111.3	Y275 R599 D601 L623	Y275-M621 HydrophobicContact CD2-CE 3.95Å; Y275-M621 HydrophobicContact CD2-SD 3.48Å; Y275-M621 WeakPolarHBondContact CD2-SD 3.38Å; Y275-M621 HydrophobicContact CE2-CB 4.48Å; Y275-M621 HydrophobicContact CE2-CE 4.44Å; Y275-M621 HydrophobicContact CE2-CG 4.48Å; Y275-M621 HydrophobicContact CE2-SD 3.37Å; Y275-M621 WeakPolarHBondContact CE2-SD 3.44Å; R599-M621 PolarHBondContact NH2-SD 3.15Å; D601-M621 VanDerWaalsContact CB-CA 3.41Å; D601-M621 HydrophobicContact CB-CB 3.67Å; D601-M621 HydrophobicContact CB-CG 3.78Å; D601-M621 WeakPolarHBondContact O-CA 3.32Å; M621-L623 HydrophobicContact CE-CD2 3.69Å; M621-L623 HydrophobicContact CE-CG 3.9Å; M621-L623 HydrophobicContact CG-CG 4.32Å; M621-L623 PolarHBondContact O-N 2.93Å
622	V	29.5	Very low	43.4	Very low	33 Å²	33	21.5 Å²	21.5	20%	0.2	11%	0.107	C	C	.	.			trans	-69.6	81	160	-175.3	0	0	0	0	107.4	D601 R624	D601-V622 PolarHBondContact O-N 2.96Å; V622-R624 HydrophobicContact CG1-CG 3.92Å; V622-R624 WeakPolarHBondContact O-CG 3.19Å; V622-R624 PolarHBondContact O-N 3.35Å
623	L	29.9	Very low	41.3	Very low	16 Å²	16	23.9 Å²	23.9	8%	0.084	12%	0.119	C	C	.	.			trans	-59	118	158	-94.4	169.1	0	0	0	107	Y273 Y275 M621 L625	Y273-L623 HydrophobicContact CD2-CD1 4.06Å; Y273-L623 HydrophobicContact CD2-CD2 4.13Å; Y273-L623 HydrophobicContact CE2-CD1 4.31Å; Y273-L623 HydrophobicContact CG-CD2 4.38Å; Y275-L623 HydrophobicContact CG-CD1 4.45Å; M621-L623 HydrophobicContact CE-CD2 3.69Å; M621-L623 HydrophobicContact CE-CG 3.9Å; M621-L623 HydrophobicContact CG-CG 4.32Å; M621-L623 PolarHBondContact O-N 2.93Å; L623-L625 HydrophobicContact CB-CD1 4.2Å; L623-L625 HydrophobicContact CB-CG 4.4Å; L623-L625 HydrophobicContact CD1-CD1 4.26Å; L623-L625 HydrophobicContact CD2-CD1 4.38Å; L623-L625 PolarHBondContact O-N 3.07Å; L623-L625 VanDerWaalsContact O-N 3.1Å
624	R	38.3	Very low	39.1	Very low	51 Å²	51	24.5 Å²	24.5	19%	0.192	12%	0.122	C	C	.	.			trans	-88.6	36	-174.5	-67.2	170.7	178.1	-86	7	112	G482 E485 L583 V622	G482-R624 PolarHBondContact O-NH1 3.08Å; G482-R624 PolarHBondContact O-NH2 3.46Å; E485-R624 IonicContact OE1-CZ 3.68Å; E485-R624 IonicContact OE1-NE 3.82Å; E485-R624 IonicContact OE1-NH2 2.78Å; E485-R624 PolarHBondContact OE1-NH2 3.06Å; E485-R624 IonicContact OE2-NH2 3.28Å; E485-R624 PolarHBondContact OE2-NH2 3.4Å; L583-R624 VanDerWaalsContact CD1-NH1 3.31Å; V622-R624 HydrophobicContact CG1-CG 3.92Å; V622-R624 WeakPolarHBondContact O-CG 3.19Å; V622-R624 PolarHBondContact O-N 3.35Å
625	L	32.3	Very low	37.2	Very low	16 Å²	16	24.1 Å²	24.1	8%	0.084	12%	0.12	C	C	.	.	S	Bend	trans	-64.6	166.2	172.3	-76.5	171.2	0	0	0	111.7	S271 M272 Y273 L623 I629	S271-L625 VanDerWaalsContact OG-CD2 3.27Å; S271-L625 WeakPolarHBondContact OG-CD2 3.38Å; M272-L625 VanDerWaalsContact O-CD2 3.25Å; M272-L625 WeakPolarHBondContact O-CD2 2.99Å; Y273-L625 HydrophobicContact CD1-CD1 3.61Å; Y273-L625 HydrophobicContact CD1-CD2 4.06Å; Y273-L625 HydrophobicContact CD1-CG 4.39Å; Y273-L625 HydrophobicContact CD2-CD1 4.44Å; Y273-L625 HydrophobicContact CE1-CD1 4.19Å; Y273-L625 HydrophobicContact CG-CD1 3.74Å; Y273-L625 HydrophobicContact CG-CD2 4.23Å; Y273-L625 HydrophobicContact CG-CG 4.37Å; L623-L625 HydrophobicContact CB-CD1 4.2Å; L623-L625 HydrophobicContact CB-CG 4.4Å; L623-L625 HydrophobicContact CD1-CD1 4.26Å; L623-L625 HydrophobicContact CD2-CD1 4.38Å; L623-L625 PolarHBondContact O-N 3.07Å; L623-L625 VanDerWaalsContact O-N 3.1Å; L625-I629 HydrophobicContact CD1-CB 3.92Å; L625-I629 HydrophobicContact CD1-CD1 3.56Å; L625-I629 HydrophobicContact CD1-CG1 3.76Å
626	S	35.4	Very low	35.7	Very low	8 Å²	8	24.1 Å²	24.1	6%	0.056	12%	0.12	C	C	.	.	S	Bend	trans	-52.2	157.6	155	70.7	0	0	0	0	110	D267 S292 L628	D267-S626 WeakPolarHBondContact OD2-CB 3.28Å; D267-S626 PolarHBondContact OD2-N 3.04Å; D267-S626 VanDerWaalsContact OD2-N 3.13Å; D267-S626 PolarHBondContact OD2-OG 3.23Å; S292-S626 PolarHBondContact OG-OG 2.9Å; S626-L628 PolarHBondContact O-N 3.41Å
627	T	35.1	Very low	34.5	Very low	66 Å²	66	24.3 Å²	24.3	41%	0.405	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-0.7	-159.9	-24	0	0	0	0	116.9	P297 R630	P297-T627 VanDerWaalsContact CB-O 3.22Å; P297-T627 WeakPolarHBondContact CB-O 3.39Å; P297-T627 HydrophobicContact CG-CG2 3.95Å; P297-T627 WeakPolarHBondContact CG-O 3.5Å; T627-R630 VanDerWaalsContact O-CB 3.3Å; T627-R630 WeakPolarHBondContact O-CB 3.45Å
628	L	33.4	Very low	34.8	Very low	6 Å²	6	24.5 Å²	24.5	3%	0.031	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-56.7	-168	-164.6	65.4	0	0	0	115.8	H289 Q290 P297 S626 R630	H289-L628 VanDerWaalsContact CE1-CD2 3.46Å; H289-L628 WeakPolarHBondContact CE1-CD2 3.44Å; H289-L628 VanDerWaalsContact ND1-CD2 3.3Å; H289-L628 WeakPolarHBondContact ND1-CD2 3.48Å; Q290-L628 HydrophobicContact CG-CD2 4.2Å; Q290-L628 WeakPolarHBondContact O-CD2 3.35Å; P297-L628 HydrophobicContact CB-CD1 4.12Å; S626-L628 PolarHBondContact O-N 3.41Å; L628-R630 PolarHBondContact O-N 3.35Å
629	I	33.2	Very low	34.7	Very low	12 Å²	12	24.5 Å²	24.5	6%	0.062	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-76.1	-9.9	-174.4	-55.6	-161.4	0	0	0	111.9	Y273 L625 V631 I632 M633	Y273-I629 HydrophobicContact CD1-CD1 3.99Å; Y273-I629 HydrophobicContact CE1-CD1 3.26Å; Y273-I629 HydrophobicContact CE2-CD1 4.38Å; Y273-I629 VanDerWaalsContact CZ-CD1 3.47Å; Y273-I629 WeakPolarHBondContact OH-CD1 3.42Å; L625-I629 HydrophobicContact CD1-CB 3.92Å; L625-I629 HydrophobicContact CD1-CD1 3.56Å; L625-I629 HydrophobicContact CD1-CG1 3.76Å; I629-V631 PolarHBondContact O-N 2.93Å; I629-I632 PolarHBondContact O-N 3.38Å; I629-M633 PolarHBondContact O-N 3.4Å
630	R	34.4	Very low	35.5	Very low	111 Å²	111	24.6 Å²	24.6	42%	0.419	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-67.3	7.5	176.8	-114.7	176.5	176.7	-84.7	2.1	115.4	T627 L628 Y788	T627-R630 VanDerWaalsContact O-CB 3.3Å; T627-R630 WeakPolarHBondContact O-CB 3.45Å; L628-R630 PolarHBondContact O-N 3.35Å; R630-Y788 WeakPolarHBondContact CB-OH 3.36Å; R630-Y788 WeakPolarHBondContact CD-OH 3.5Å; R630-Y788 WeakPolarHBondContact CG-OH 3.37Å; R630-Y788 PolarHBondContact NH1-OH 2.94Å; R630-Y788 PolarHBondContact O-OH 3.06Å
631	V	29.3	Very low	36.5	Very low	32 Å²	32	24.3 Å²	24.3	19%	0.194	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-122.3	-19.2	176.8	-173.8	0	0	0	0	111.7	P297 I629 P815	P297-V631 HydrophobicContact CB-CG2 4.26Å; P297-V631 HydrophobicContact CG-CG2 4.18Å; I629-V631 PolarHBondContact O-N 2.93Å; V631-P815 HydrophobicContact CG1-CG 4.44Å
632	I	28.8	Very low	37.6	Very low	40 Å²	40	22.9 Å²	22.9	21%	0.205	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-14.4	-171.1	-64.4	174.7	0	0	0	112.3	I629	I629-I632 PolarHBondContact O-N 3.38Å
633	M	27.9	Very low	39.1	Very low	49 Å²	49	21.8 Å²	21.8	24%	0.241	11%	0.108	C	C	.	.			trans	-118.7	91.4	174.4	-84.8	-174.3	171	0	0	111.8	Y275 E614 I629 V635	Y275-M633 HydrophobicContact CD1-CE 4.39Å; Y275-M633 HydrophobicContact CE1-CE 3.8Å; Y275-M633 HydrophobicContact CE1-SD 4.31Å; E614-M633 WeakPolarHBondContact OE2-CE 3.15Å; I629-M633 PolarHBondContact O-N 3.4Å; M633-V635 HydrophobicContact CB-CG2 4.03Å; M633-V635 HydrophobicContact CG-CG2 4.48Å
634	L	30.2	Very low	40.4	Very low	24 Å²	24	24.1 Å²	24.1	13%	0.126	12%	0.118	C	C	.	.			trans	-74	125.3	157.7	-79.9	154.5	0	0	0	107.9	F610 Y611 E729 P815	F610-L634 VanDerWaalsContact CB-C 3.42Å; F610-L634 VanDerWaalsContact CB-CA 3.46Å; F610-L634 HydrophobicContact CB-CB 3.52Å; F610-L634 HydrophobicContact CB-CD2 3.39Å; F610-L634 HydrophobicContact CB-CG 4.04Å; F610-L634 HydrophobicContact CD1-CD2 4.01Å; F610-L634 HydrophobicContact CG-CD2 4.22Å; Y611-L634 CarbonylContact C-O 3.06Å; Y611-L634 VanDerWaalsContact CA-O 3.25Å; Y611-L634 WeakPolarHBondContact CA-O 3.29Å; Y611-L634 PolarHBondContact N-O 3.32Å; L634-E729 WeakPolarHBondContact CD1-OE1 3.22Å; L634-E729 WeakPolarHBondContact CD1-OE2 3.46Å; L634-P815 HydrophobicContact CD1-CG 4.43Å
635	V	36.9	Very low	41.2	Very low	3 Å²	3	24 Å²	24	2%	0.018	12%	0.124	C	C	.	.			trans	-153.4	137.5	-177.6	-173.4	0	0	0	0	117	F610 Y611 S619 T620 M633 A637	F610-V635 VanDerWaalsContact C-C 3.42Å; F610-V635 VanDerWaalsContact CD1-N 3.34Å; F610-V635 WeakPolarHBondContact CD2-O 3.35Å; F610-V635 WeakPolarHBondContact CE2-O 3.13Å; F610-V635 VanDerWaalsContact CG-O 3.26Å; F610-V635 WeakPolarHBondContact CG-O 3.31Å; F610-V635 CarbonylContact O-C 3.32Å; F610-V635 WeakPolarHBondContact O-CA 3.49Å; F610-V635 PolarHBondContact O-N 2.94Å; Y611-V635 VanDerWaalsContact CA-CA 3.47Å; S619-V635 WeakPolarHBondContact O-CG1 3.32Å; T620-V635 VanDerWaalsContact CA-CG1 3.41Å; T620-V635 WeakPolarHBondContact CA-O 3.49Å; T620-V635 WeakPolarHBondContact CB-O 3.12Å; T620-V635 HydrophobicContact CG2-CB 3.58Å; T620-V635 HydrophobicContact CG2-CG1 4.48Å; T620-V635 HydrophobicContact CG2-CG2 4.42Å; T620-V635 WeakPolarHBondContact CG2-O 3.45Å; T620-V635 PolarHBondContact N-O 3.34Å; T620-V635 VanDerWaalsContact N-O 3.16Å; T620-V635 PolarHBondContact OG1-O 2.93Å; M633-V635 HydrophobicContact CB-CG2 4.03Å; M633-V635 HydrophobicContact CG-CG2 4.48Å; V635-A637 PolarHBondContact O-N 3.39Å
636	V	37.1	Very low	42.3	Very low	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.			trans	-97.8	91.5	-152.7	-165.8	0	0	0	0	116.1	A609 F610 I618 S619 F638 E668	A609-V636 HydrophobicContact CB-CG1 3.86Å; F610-V636 WeakPolarHBondContact O-CA 3.17Å; F610-V636 WeakPolarHBondContact O-CB 3.39Å; F610-V636 WeakPolarHBondContact O-CG2 3.34Å; F610-V636 PolarHBondContact O-N 2.64Å; I618-V636 CarbonylContact C-O 3.59Å; I618-V636 HydrophobicContact CB-CB 3.83Å; I618-V636 HydrophobicContact CB-CG2 3.85Å; I618-V636 HydrophobicContact CG1-CB 4.31Å; I618-V636 HydrophobicContact CG1-CG2 3.75Å; I618-V636 HydrophobicContact CG2-CB 3.42Å; I618-V636 VanDerWaalsContact CG2-CB 3.42Å; I618-V636 HydrophobicContact CG2-CG1 3.61Å; I618-V636 HydrophobicContact CG2-CG2 3.72Å; S619-V636 WeakPolarHBondContact CA-O 3.35Å; S619-V636 VanDerWaalsContact N-C 3.27Å; S619-V636 PolarHBondContact N-O 3.48Å; V636-F638 HydrophobicContact CG1-CD1 4.01Å; V636-F638 HydrophobicContact CG1-CD2 3.71Å; V636-F638 HydrophobicContact CG1-CE1 3.94Å; V636-F638 HydrophobicContact CG1-CE2 3.64Å; V636-F638 HydrophobicContact CG1-CG 3.87Å; V636-F638 HydrophobicContact CG1-CZ 3.72Å; V636-E668 HydrophobicContact CG1-CG 4.36Å; V636-E668 HydrophobicContact CG2-CB 3.4Å; V636-E668 HydrophobicContact CG2-CG 3.5Å; V636-E668 VanDerWaalsContact CG2-CG 3.5Å
637	A	38.7	Very low	43.1	Very low	4 Å²	4	25 Å²	25	3%	0.033	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.5	140.4	0	0	0	0	0	106.3	T602 T620 V635 P639	T602-A637 HydrophobicContact CG2-CB 3.75Å; T620-A637 PolarHBondContact OG1-N 2.98Å; V635-A637 PolarHBondContact O-N 3.39Å; A637-P639 VanDerWaalsContact C-CD 3.45Å; A637-P639 HydrophobicContact CB-CB 4.29Å; A637-P639 HydrophobicContact CB-CG 3.75Å; A637-P639 WeakPolarHBondContact O-CD 3.26Å
638	F	52.5	Low	44.5	Very low	3 Å²	3	22 Å²	22	1%	0.013	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	80.4	151.1	-75.2	-65	0	0	0	105.5	I509 H544 G546 A609 I618 V636 I642 I661 V664 I665 E668	I509-F638 HydrophobicContact CD1-CD2 3.79Å; I509-F638 HydrophobicContact CD1-CE2 3.77Å; I509-F638 HydrophobicContact CG1-CE2 4.19Å; H544-F638 PolarHBondContact O-N 3.34Å; H544-F638 VanDerWaalsContact O-N 3.12Å; G546-F638 VanDerWaalsContact CA-O 3.3Å; G546-F638 WeakPolarHBondContact CA-O 3.48Å; G546-F638 PolarHBondContact N-O 3.27Å; A609-F638 HydrophobicContact CB-CD1 3.87Å; A609-F638 HydrophobicContact CB-CE1 3.48Å; A609-F638 VanDerWaalsContact CB-CE1 3.48Å; A609-F638 HydrophobicContact CB-CZ 4.29Å; I618-F638 HydrophobicContact CG2-CD2 4.08Å; I618-F638 HydrophobicContact CG2-CE2 3.82Å; V636-F638 HydrophobicContact CG1-CD1 4.01Å; V636-F638 HydrophobicContact CG1-CD2 3.71Å; V636-F638 HydrophobicContact CG1-CE1 3.94Å; V636-F638 HydrophobicContact CG1-CE2 3.64Å; V636-F638 HydrophobicContact CG1-CG 3.87Å; V636-F638 HydrophobicContact CG1-CZ 3.72Å; F638-I642 HydrophobicContact CB-CG2 4.35Å; F638-I642 HydrophobicContact CD1-CG2 4.15Å; F638-I661 HydrophobicContact CD1-CD1 4.06Å; F638-I661 HydrophobicContact CE1-CD1 4.03Å; F638-V664 HydrophobicContact CE1-CG1 4.21Å; F638-I665 HydrophobicContact CE1-CG1 3.77Å; F638-I665 HydrophobicContact CE2-CG1 3.92Å; F638-I665 HydrophobicContact CZ-CB 4.12Å; F638-I665 HydrophobicContact CZ-CG1 3.31Å; F638-E668 HydrophobicContact CZ-CG 4.07Å
639	P	51.3	Low	46.2	Very low	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	157.8	-167.5	-0.2	21.9	0	0	0	107.3	G546 S603 P604 I606 N608 A637 G641 I642	G546-P639 CarbonylContact O-C 3.37Å; G546-P639 WeakPolarHBondContact O-CA 2.84Å; S603-P639 WeakPolarHBondContact O-CB 3.11Å; P604-P639 VanDerWaalsContact O-CB 3.31Å; P604-P639 WeakPolarHBondContact O-CB 3.02Å; I606-P639 HydrophobicContact CB-CG 4.23Å; I606-P639 HydrophobicContact CG2-CG 4.37Å; I606-P639 VanDerWaalsContact O-CB 3.29Å; I606-P639 WeakPolarHBondContact O-CB 3.31Å; I606-P639 VanDerWaalsContact O-CG 3.23Å; I606-P639 WeakPolarHBondContact O-CG 3.42Å; N608-P639 WeakPolarHBondContact O-CD 3.03Å; A637-P639 VanDerWaalsContact C-CD 3.45Å; A637-P639 HydrophobicContact CB-CB 4.29Å; A637-P639 HydrophobicContact CB-CG 3.75Å; A637-P639 WeakPolarHBondContact O-CD 3.26Å; P639-G641 PolarHBondContact O-N 3.2Å; P639-I642 PolarHBondContact O-N 2.91Å
640	A	51.4	Low	48.1	Very low	2 Å²	2	23.8 Å²	23.8	2%	0.017	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-31.4	176	0	0	0	0	0	113.1	Y492 V493 F497 G546 P604 I642 L643	Y492-A640 HydrophobicContact CD1-CB 3.86Å; Y492-A640 HydrophobicContact CE1-CB 3.7Å; V493-A640 HydrophobicContact CG2-CB 3.84Å; F497-A640 HydrophobicContact CB-CB 3.91Å; F497-A640 HydrophobicContact CD2-CB 3.34Å; F497-A640 HydrophobicContact CE2-CB 4.01Å; F497-A640 HydrophobicContact CG-CB 3.71Å; G546-A640 PolarHBondContact O-N 3.09Å; P604-A640 HydrophobicContact CB-CB 4.5Å; P604-A640 PolarHBondContact O-N 3.3Å; A640-I642 PolarHBondContact O-N 2.83Å; A640-L643 PolarHBondContact O-N 3.45Å
641	G	50.1	Low	50.4	Low	1 Å²	1	23 Å²	23	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.3	175.8	0	0	0	0	0	117.5	P604 I606 V607 P639 Q644	P604-G641 PolarHBondContact O-N 2.93Å; P604-G641 VanDerWaalsContact O-N 3.08Å; I606-G641 WeakPolarHBondContact O-CA 3.29Å; V607-G641 WeakPolarHBondContact CG2-O 3.47Å; P639-G641 PolarHBondContact O-N 3.2Å; G641-Q644 PolarHBondContact O-NE2 3.07Å
642	I	53.9	Low	52.8	Low	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-20	175.5	-157.4	170.6	0	0	0	113.4	V607 A609 F638 P639 A640 Q644 F647 I661	V607-I642 HydrophobicContact CG1-CB 4.35Å; V607-I642 HydrophobicContact CG1-CG1 4.25Å; A609-I642 HydrophobicContact CB-CD1 4.4Å; F638-I642 HydrophobicContact CB-CG2 4.35Å; F638-I642 HydrophobicContact CD1-CG2 4.15Å; P639-I642 PolarHBondContact O-N 2.91Å; A640-I642 PolarHBondContact O-N 2.83Å; I642-Q644 PolarHBondContact O-N 3.02Å; I642-F647 HydrophobicContact CD1-CD1 4.42Å; I642-F647 HydrophobicContact CD1-CE1 4.28Å; I642-F647 HydrophobicContact CD1-CZ 4.41Å; I642-F647 HydrophobicContact CG1-CB 4.45Å; I642-F647 HydrophobicContact CG1-CD1 4.14Å; I642-F647 HydrophobicContact CG1-CD2 3.91Å; I642-F647 HydrophobicContact CG1-CE1 4.26Å; I642-F647 HydrophobicContact CG1-CE2 4.03Å; I642-F647 HydrophobicContact CG1-CG 3.94Å; I642-F647 HydrophobicContact CG1-CZ 4.17Å; I642-F647 VanDerWaalsContact O-CB 3.28Å; I642-F647 WeakPolarHBondContact O-CB 3.47Å; I642-I661 HydrophobicContact CD1-CD1 3.94Å; I642-I661 HydrophobicContact CG1-CD1 4.08Å; I642-I661 HydrophobicContact CG2-CD1 4.23Å
643	L	61	Low	55.6	Low	10 Å²	10	20.3 Å²	20.3	5%	0.052	11%	0.111	C	C	.	.	S	Bend	trans	-84.3	53.2	-177.6	-64.3	176.5	0	0	0	112.1	F497 A505 I545 A640 F648 I661	F497-L643 HydrophobicContact CE2-CB 4.07Å; F497-L643 HydrophobicContact CE2-CD1 3.86Å; F497-L643 HydrophobicContact CZ-CD1 4.12Å; A505-L643 HydrophobicContact CB-CD1 4.02Å; A505-L643 HydrophobicContact CB-CD2 3.88Å; I545-L643 HydrophobicContact CG2-CD1 4.24Å; A640-L643 PolarHBondContact O-N 3.45Å; L643-F648 HydrophobicContact CD2-CB 4.38Å; L643-F648 HydrophobicContact CD2-CG 4.47Å; L643-I661 HydrophobicContact CD2-CG1 4.33Å
644	Q	56.8	Low	58.4	Low	66 Å²	66	20.6 Å²	20.6	31%	0.308	11%	0.111	S	C	.	.	S	Bend	trans	-146.7	164.9	-179.2	63.8	176.5	-33.4	0	0	111.8	Y492 G641 I642 F647 F648	Y492-Q644 PolarHBondContact OH-NE2 3.43Å; G641-Q644 PolarHBondContact O-NE2 3.07Å; I642-Q644 PolarHBondContact O-N 3.02Å; Q644-F647 WeakPolarHBondContact O-CB 3.36Å; Q644-F647 PolarHBondContact O-N 3.19Å; Q644-F648 CarbonylContact C-O 3.57Å; Q644-F648 VanDerWaalsContact CA-O 3.29Å; Q644-F648 WeakPolarHBondContact CA-O 3.43Å; Q644-F648 PolarHBondContact O-N 2.87Å
645	P	56.3	Low	61.2	Low	49 Å²	49	19.6 Å²	19.6	32%	0.318	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	138.1	173.5	-34.7	40.1	0	0	0	114.2	F648 N649 Y652	P645-F648 WeakPolarHBondContact CD-O 3.45Å; P645-F648 VanDerWaalsContact N-O 3.15Å; P645-N649 HydrophobicContact CG-CB 4.38Å; P645-Y652 WeakPolarHBondContact CB-OH 3.21Å
646	P	54.7	Low	63.5	Low	37 Å²	37	19.8 Å²	19.8	24%	0.24	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.6	6.4	0.7	37.5	-34.8	0	0	0	113.8	S783	P646-S783 VanDerWaalsContact CG-CB 3.46Å; P646-S783 WeakPolarHBondContact CG-OG 3.32Å
647	F	52.9	Low	65.7	Low	7 Å²	7	19.9 Å²	19.9	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-48.2	-179.9	-62.8	-80.3	0	0	0	112.3	V607 I642 Q644 S660 I661 V782 S783 F784 F797	V607-F647 HydrophobicContact CG1-CE2 3.71Å; V607-F647 HydrophobicContact CG1-CZ 4.22Å; I642-F647 HydrophobicContact CD1-CD1 4.42Å; I642-F647 HydrophobicContact CD1-CE1 4.28Å; I642-F647 HydrophobicContact CD1-CZ 4.41Å; I642-F647 HydrophobicContact CG1-CB 4.45Å; I642-F647 HydrophobicContact CG1-CD1 4.14Å; I642-F647 HydrophobicContact CG1-CD2 3.91Å; I642-F647 HydrophobicContact CG1-CE1 4.26Å; I642-F647 HydrophobicContact CG1-CE2 4.03Å; I642-F647 HydrophobicContact CG1-CG 3.94Å; I642-F647 HydrophobicContact CG1-CZ 4.17Å; I642-F647 VanDerWaalsContact O-CB 3.28Å; I642-F647 WeakPolarHBondContact O-CB 3.47Å; Q644-F647 WeakPolarHBondContact O-CB 3.36Å; Q644-F647 PolarHBondContact O-N 3.19Å; F647-S660 WeakPolarHBondContact O-CB 3.38Å; F647-S660 PolarHBondContact O-OG 2.86Å; F647-I661 HydrophobicContact CB-CB 4.46Å; F647-I661 WeakPolarHBondContact O-CG2 3.2Å; F647-V782 HydrophobicContact CD1-CG1 3.42Å; F647-V782 VanDerWaalsContact CD1-CG1 3.42Å; F647-V782 HydrophobicContact CE1-CG1 3.84Å; F647-V782 HydrophobicContact CG-CG1 4.32Å; F647-S783 WeakPolarHBondContact CZ-O 3.45Å; F647-F784 HydrophobicContact CE1-CB 4.34Å; F647-F784 HydrophobicContact CZ-CB 4.26Å; F647-F797 HydrophobicContact CE1-CD2 4.02Å; F647-F797 AromaticContact CE1-CE2 3.86Å; F647-F797 HydrophobicContact CE1-CE2 3.86Å
648	F	64.3	Low	68.2	Low	4 Å²	4	19.9 Å²	19.9	2%	0.018	11%	0.107	C	C	.	.			trans	-145.6	141.4	-175.5	-174.2	-96.9	0	0	0	112.2	D501 E504 L643 Q644 P645 N657 I661	D501-F648 HydrophobicContact CB-CD1 4.02Å; D501-F648 HydrophobicContact CB-CE1 3.63Å; D501-F648 WeakPolarHBondContact OD1-CE1 3.48Å; E504-F648 HydrophobicContact CB-CE1 4.41Å; E504-F648 HydrophobicContact CB-CE2 4.44Å; E504-F648 HydrophobicContact CB-CZ 3.62Å; L643-F648 HydrophobicContact CD2-CB 4.38Å; L643-F648 HydrophobicContact CD2-CG 4.47Å; Q644-F648 CarbonylContact C-O 3.57Å; Q644-F648 VanDerWaalsContact CA-O 3.29Å; Q644-F648 WeakPolarHBondContact CA-O 3.43Å; Q644-F648 PolarHBondContact O-N 2.87Å; P645-F648 WeakPolarHBondContact CD-O 3.45Å; P645-F648 VanDerWaalsContact N-O 3.15Å; F648-N657 HydrophobicContact CD2-CB 4.21Å; F648-N657 HydrophobicContact CE2-CB 4.31Å; F648-N657 WeakPolarHBondContact CE2-ND2 3.29Å; F648-I661 HydrophobicContact CB-CG2 4.04Å; F648-I661 HydrophobicContact CD2-CG2 3.78Å; F648-I661 HydrophobicContact CG-CG2 4.35Å
649	N	68.7	Low	69.8	Low	37 Å²	37	19.8 Å²	19.8	20%	0.198	11%	0.106	C	C	.	.			trans	-157	136.8	162.8	-170.4	-51.2	0	0	0	108.6	P645 E651 Y652 N657	P645-N649 HydrophobicContact CG-CB 4.38Å; N649-E651 PolarHBondContact O-N 2.87Å; N649-E651 WeakPolarHBondContact OD1-CB 3.49Å; N649-E651 PolarHBondContact OD1-N 2.99Å; N649-Y652 HydrophobicContact CB-CD1 3.62Å; N649-Y652 HydrophobicContact CB-CD2 4.03Å; N649-Y652 HydrophobicContact CB-CE1 3.76Å; N649-Y652 HydrophobicContact CB-CE2 4.18Å; N649-Y652 HydrophobicContact CB-CG 3.77Å; N649-Y652 WeakPolarHBondContact O-CB 3.5Å; N649-Y652 PolarHBondContact O-N 3.42Å; N649-Y652 VanDerWaalsContact O-N 3.08Å; N649-N657 PolarHBondContact N-OD1 3.04Å; N649-N657 PolarHBondContact O-ND2 3.21Å
650	G	73.8	Confident	71.1	Confident	18 Å²	18	19.8 Å²	19.8	19%	0.186	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.4	175.1	0	0	0	0	0	114.4	K654	G650-K654 PolarHBondContact O-NZ 3.17Å
651	E	80.9	Confident	72.3	Confident	93 Å²	93	19.8 Å²	19.8	44%	0.435	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	176.8	-66	-168.4	-173.1	0	0	115.3	T158 K159 G160 N649	T158-E651 PolarHBondContact OG1-O 3.06Å; T158-E651 VanDerWaalsContact OG1-O 3.07Å; K159-E651 WeakPolarHBondContact CB-OE2 3.28Å; K159-E651 PolarHBondContact N-OE2 2.67Å; K159-E651 VanDerWaalsContact N-OE2 3.13Å; G160-E651 PolarHBondContact N-OE2 2.87Å; N649-E651 PolarHBondContact O-N 2.87Å; N649-E651 WeakPolarHBondContact OD1-CB 3.49Å; N649-E651 PolarHBondContact OD1-N 2.99Å
652	Y	80.6	Confident	73.9	Confident	8 Å²	8	19.7 Å²	19.7	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	-76.1	151.7	177.1	-74.9	3.1	0	0	0	111.5	G160 A164 P645 N649 I656 N657	G160-Y652 WeakPolarHBondContact O-CD1 3.44Å; G160-Y652 WeakPolarHBondContact O-CE1 3.28Å; A164-Y652 HydrophobicContact CB-CD1 4.05Å; A164-Y652 HydrophobicContact CB-CE1 3.82Å; A164-Y652 HydrophobicContact CB-CE2 4.32Å; A164-Y652 HydrophobicContact CB-CG 4.4Å; P645-Y652 WeakPolarHBondContact CB-OH 3.21Å; N649-Y652 HydrophobicContact CB-CD1 3.62Å; N649-Y652 HydrophobicContact CB-CD2 4.03Å; N649-Y652 HydrophobicContact CB-CE1 3.76Å; N649-Y652 HydrophobicContact CB-CE2 4.18Å; N649-Y652 HydrophobicContact CB-CG 3.77Å; N649-Y652 WeakPolarHBondContact O-CB 3.5Å; N649-Y652 PolarHBondContact O-N 3.42Å; N649-Y652 VanDerWaalsContact O-N 3.08Å; Y652-I656 HydrophobicContact CD2-CB 4.46Å; Y652-I656 HydrophobicContact CD2-CG2 3.81Å; Y652-I656 HydrophobicContact CE2-CG2 4.34Å; Y652-N657 WeakPolarHBondContact CD2-OD1 3.29Å
653	L	86.9	Confident	75.5	Confident	9 Å²	9	19.9 Å²	19.9	5%	0.047	11%	0.107	C	C	.	.			trans	-55.7	141.7	166	-64.2	-173.8	0	0	0	109.6	C156 A655 I656 N657 P761 L763	C156-L653 HydrophobicContact CB-CD2 3.82Å; L653-A655 VanDerWaalsContact C-N 3.3Å; L653-A655 PolarHBondContact O-N 3.4Å; L653-I656 HydrophobicContact CB-CD1 4.14Å; L653-I656 HydrophobicContact CB-CG1 4.33Å; L653-I656 WeakPolarHBondContact O-CB 3.39Å; L653-I656 PolarHBondContact O-N 2.89Å; L653-N657 PolarHBondContact O-N 3.34Å; L653-P761 VanDerWaalsContact CD1-O 3.26Å; L653-P761 WeakPolarHBondContact CD1-O 3.33Å; L653-P761 HydrophobicContact CD2-CB 4.5Å; L653-P761 HydrophobicContact CD2-CG 3.85Å; L653-P761 WeakPolarHBondContact CD2-O 3.31Å; L653-L763 HydrophobicContact CD1-CD2 3.64Å; L653-L763 HydrophobicContact CD1-CG 3.66Å; L653-L763 HydrophobicContact CG-CD2 3.88Å; L653-L763 HydrophobicContact CG-CG 4.45Å
654	K	87.4	Confident	76.4	Confident	54 Å²	54	19.8 Å²	19.8	24%	0.235	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-37.7	-176.7	-60.1	-46	-174	-166.1	0	111.4	E504 G650 I656 N657 Y658 L747	E504-K654 IonicContact OE2-NZ 3.47Å; E504-K654 PolarHBondContact OE2-NZ 3.17Å; G650-K654 PolarHBondContact O-NZ 3.17Å; K654-I656 CarbonylContact O-C 3.5Å; K654-I656 PolarHBondContact O-N 3.33Å; K654-I656 VanDerWaalsContact O-N 3.1Å; K654-N657 PolarHBondContact O-N 3.3Å; K654-Y658 HydrophobicContact CB-CD2 4.13Å; K654-Y658 HydrophobicContact CB-CE2 4.28Å; K654-Y658 WeakPolarHBondContact O-CB 3.43Å; K654-Y658 VanDerWaalsContact O-CD2 3.31Å; K654-Y658 WeakPolarHBondContact O-CD2 3.45Å; K654-Y658 PolarHBondContact O-N 3.42Å; K654-L747 HydrophobicContact CB-CD2 4.41Å; K654-L747 HydrophobicContact CG-CD2 4.42Å
655	A	88.6	Confident	77.5	Confident	3 Å²	3	16.8 Å²	16.8	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-52	-33.1	171.1	0	0	0	0	0	114.7	L653 G659 N771 F775	L653-A655 VanDerWaalsContact C-N 3.3Å; L653-A655 PolarHBondContact O-N 3.4Å; A655-G659 PolarHBondContact O-N 3.21Å; A655-N771 HydrophobicContact CB-CB 3.99Å; A655-N771 WeakPolarHBondContact CB-O 3.43Å; A655-F775 HydrophobicContact CB-CB 4.44Å; A655-F775 WeakPolarHBondContact O-CA 3.48Å
656	I	85.9	Confident	79.1	Confident	7 Å²	7	14.4 Å²	14.4	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-69.8	-58.4	171.6	-59.5	162.7	0	0	0	109.3	A164 Y652 L653 K654 Y658 G659 S660 L763 I774	A164-I656 HydrophobicContact CB-CD1 3.61Å; Y652-I656 HydrophobicContact CD2-CB 4.46Å; Y652-I656 HydrophobicContact CD2-CG2 3.81Å; Y652-I656 HydrophobicContact CE2-CG2 4.34Å; L653-I656 HydrophobicContact CB-CD1 4.14Å; L653-I656 HydrophobicContact CB-CG1 4.33Å; L653-I656 WeakPolarHBondContact O-CB 3.39Å; L653-I656 PolarHBondContact O-N 2.89Å; K654-I656 CarbonylContact O-C 3.5Å; K654-I656 PolarHBondContact O-N 3.33Å; K654-I656 VanDerWaalsContact O-N 3.1Å; I656-Y658 PolarHBondContact O-N 3.09Å; I656-Y658 VanDerWaalsContact O-N 3.16Å; I656-G659 CarbonylContact O-C 3.36Å; I656-G659 PolarHBondContact O-N 3.04Å; I656-S660 VanDerWaalsContact O-CB 3.28Å; I656-S660 WeakPolarHBondContact O-CB 3.05Å; I656-S660 PolarHBondContact O-N 2.98Å; I656-S660 PolarHBondContact O-OG 2.87Å; I656-L763 HydrophobicContact CD1-CD1 4.07Å; I656-L763 HydrophobicContact CD1-CD2 3.91Å; I656-L763 HydrophobicContact CD1-CG 4.44Å; I656-I774 HydrophobicContact CG1-CG2 3.7Å
657	N	84.1	Confident	80.6	Confident	3 Å²	3	13.3 Å²	13.3	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-55.9	-33.6	-177.1	-76.3	-17.5	0	0	0	113.1	F648 N649 Y652 L653 K654 S660 I661 G662	F648-N657 HydrophobicContact CD2-CB 4.21Å; F648-N657 HydrophobicContact CE2-CB 4.31Å; F648-N657 WeakPolarHBondContact CE2-ND2 3.29Å; N649-N657 PolarHBondContact N-OD1 3.04Å; N649-N657 PolarHBondContact O-ND2 3.21Å; Y652-N657 WeakPolarHBondContact CD2-OD1 3.29Å; L653-N657 PolarHBondContact O-N 3.34Å; K654-N657 PolarHBondContact O-N 3.3Å; N657-S660 WeakPolarHBondContact CA-OG 3.4Å; N657-S660 PolarHBondContact O-OG 3.3Å; N657-I661 VanDerWaalsContact O-CG2 3.29Å; N657-I661 WeakPolarHBondContact O-CG2 3.46Å; N657-I661 PolarHBondContact O-N 3.08Å; N657-G662 PolarHBondContact O-N 3.37Å
658	Y	89.8	Confident	82	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.016	7%	0.069	C	C	.	.	I	π-helix	trans	-74.2	-46	173	-85.4	-89.3	0	0	0	112	L508 H511 I512 K654 I656 S660 G662 A663 A740 A743 L747 F775	L508-Y658 HydrophobicContact CD1-CD1 3.63Å; L508-Y658 HydrophobicContact CD1-CD2 3.84Å; L508-Y658 HydrophobicContact CD1-CE1 3.28Å; L508-Y658 HydrophobicContact CD1-CE2 3.51Å; L508-Y658 HydrophobicContact CD1-CG 3.91Å; H511-Y658 WeakPolarHBondContact CB-OH 3.46Å; H511-Y658 PolarHBondContact ND1-OH 3.31Å; I512-Y658 HydrophobicContact CD1-CD1 4.31Å; I512-Y658 HydrophobicContact CD1-CE1 4.28Å; I512-Y658 HydrophobicContact CG1-CD1 4.33Å; I512-Y658 HydrophobicContact CG1-CE1 4Å; K654-Y658 HydrophobicContact CB-CD2 4.13Å; K654-Y658 HydrophobicContact CB-CE2 4.28Å; K654-Y658 WeakPolarHBondContact O-CB 3.43Å; K654-Y658 VanDerWaalsContact O-CD2 3.31Å; K654-Y658 WeakPolarHBondContact O-CD2 3.45Å; K654-Y658 PolarHBondContact O-N 3.42Å; I656-Y658 PolarHBondContact O-N 3.09Å; I656-Y658 VanDerWaalsContact O-N 3.16Å; Y658-S660 PolarHBondContact O-N 3.04Å; Y658-G662 CarbonylContact O-C 3.55Å; Y658-G662 VanDerWaalsContact O-C 3.32Å; Y658-G662 WeakPolarHBondContact O-CA 3.12Å; Y658-G662 PolarHBondContact O-N 3.47Å; Y658-A663 PolarHBondContact O-N 3.12Å; Y658-A740 WeakPolarHBondContact CD1-O 3.39Å; Y658-A743 HydrophobicContact CD1-CB 4.02Å; Y658-A743 HydrophobicContact CE1-CB 3.47Å; Y658-A743 VanDerWaalsContact CE1-CB 3.47Å; Y658-L747 HydrophobicContact CE2-CD2 3.59Å; Y658-F775 VanDerWaalsContact C-CE2 3.48Å
659	G	86.5	Confident	83	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-64.7	-22.3	174.9	0	0	0	0	0	113.4	A655 I656 A663 F775 Y779	A655-G659 PolarHBondContact O-N 3.21Å; I656-G659 CarbonylContact O-C 3.36Å; I656-G659 PolarHBondContact O-N 3.04Å; G659-A663 WeakPolarHBondContact O-CB 3.32Å; G659-F775 VanDerWaalsContact CA-CD2 3.45Å; G659-F775 VanDerWaalsContact CA-CE2 3.42Å; G659-F775 VanDerWaalsContact N-CD2 3.26Å; G659-F775 VanDerWaalsContact N-CE2 3.32Å; G659-Y779 WeakPolarHBondContact O-CA 3.32Å; G659-Y779 WeakPolarHBondContact O-CB 3.37Å; G659-Y779 PolarHBondContact O-N 3.17Å
660	S	78.6	Confident	84.2	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.007	6%	0.058	C	C	.	.	I	π-helix	trans	-94.5	-96.1	-178.3	63.2	0	0	0	0	113	F647 I656 N657 Y658 G662 A663 V664	F647-S660 WeakPolarHBondContact O-CB 3.38Å; F647-S660 PolarHBondContact O-OG 2.86Å; I656-S660 VanDerWaalsContact O-CB 3.28Å; I656-S660 WeakPolarHBondContact O-CB 3.05Å; I656-S660 PolarHBondContact O-N 2.98Å; I656-S660 PolarHBondContact O-OG 2.87Å; N657-S660 WeakPolarHBondContact CA-OG 3.4Å; N657-S660 PolarHBondContact O-OG 3.3Å; Y658-S660 PolarHBondContact O-N 3.04Å; S660-G662 VanDerWaalsContact C-N 3.25Å; S660-G662 PolarHBondContact O-N 3.03Å; S660-A663 PolarHBondContact O-N 3.37Å; S660-V664 WeakPolarHBondContact O-CG2 3.47Å; S660-V664 PolarHBondContact O-N 2.83Å
661	I	75.9	Confident	84.9	Confident	2 Å²	2	10.6 Å²	10.6	1%	0.01	5%	0.051	C	C	.	.	I	π-helix	trans	-71.6	-22.3	-178.2	-170.9	64.3	0	0	0	111.1	L508 F638 I642 L643 F647 F648 N657 V664 I665	L508-I661 HydrophobicContact CD2-CG2 3.63Å; F638-I661 HydrophobicContact CD1-CD1 4.06Å; F638-I661 HydrophobicContact CE1-CD1 4.03Å; I642-I661 HydrophobicContact CD1-CD1 3.94Å; I642-I661 HydrophobicContact CG1-CD1 4.08Å; I642-I661 HydrophobicContact CG2-CD1 4.23Å; L643-I661 HydrophobicContact CD2-CG1 4.33Å; F647-I661 HydrophobicContact CB-CB 4.46Å; F647-I661 WeakPolarHBondContact O-CG2 3.2Å; F648-I661 HydrophobicContact CB-CG2 4.04Å; F648-I661 HydrophobicContact CD2-CG2 3.78Å; F648-I661 HydrophobicContact CG-CG2 4.35Å; N657-I661 VanDerWaalsContact O-CG2 3.29Å; N657-I661 WeakPolarHBondContact O-CG2 3.46Å; N657-I661 PolarHBondContact O-N 3.08Å; I661-V664 HydrophobicContact CD1-CB 4.23Å; I661-V664 HydrophobicContact CD1-CG1 4.29Å; I661-V664 WeakPolarHBondContact O-CB 3.31Å; I661-V664 PolarHBondContact O-N 2.86Å; I661-I665 HydrophobicContact CG1-CD1 4.21Å; I661-I665 WeakPolarHBondContact O-CB 3.48Å; I661-I665 WeakPolarHBondContact O-CD1 3.26Å; I661-I665 WeakPolarHBondContact O-CG1 3.39Å; I661-I665 PolarHBondContact O-N 3.47Å
662	G	84.7	Confident	85.4	Confident	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	I	π-helix	trans	-66.2	-47.4	171.7	0	0	0	0	0	113.2	N657 Y658 S660 V664 I665 G666 A740	N657-G662 PolarHBondContact O-N 3.37Å; Y658-G662 CarbonylContact O-C 3.55Å; Y658-G662 VanDerWaalsContact O-C 3.32Å; Y658-G662 WeakPolarHBondContact O-CA 3.12Å; Y658-G662 PolarHBondContact O-N 3.47Å; S660-G662 VanDerWaalsContact C-N 3.25Å; S660-G662 PolarHBondContact O-N 3.03Å; G662-V664 PolarHBondContact O-N 3.33Å; G662-I665 WeakPolarHBondContact O-CB 3.36Å; G662-I665 PolarHBondContact O-N 2.7Å; G662-G666 PolarHBondContact O-N 2.69Å; G662-A740 VanDerWaalsContact C-CB 3.43Å
663	A	87.4	Confident	86.1	Confident	5 Å²	5	5.8 Å²	5.8	4%	0.041	3%	0.029	C	C	.	.	H	α-helix	trans	-59.5	-35.9	175.1	0	0	0	0	0	111.7	Y658 G659 S660 H667 V737 A740 Y779	Y658-A663 PolarHBondContact O-N 3.12Å; G659-A663 WeakPolarHBondContact O-CB 3.32Å; S660-A663 PolarHBondContact O-N 3.37Å; A663-H667 WeakPolarHBondContact O-CB 3.47Å; A663-H667 PolarHBondContact O-N 3.07Å; A663-H667 VanDerWaalsContact O-N 3.11Å; A663-V737 HydrophobicContact CB-CG2 4.08Å; A663-A740 HydrophobicContact CB-CB 4.32Å; A663-Y779 HydrophobicContact CB-CD2 3.75Å; A663-Y779 HydrophobicContact CB-CE2 4.25Å
664	V	78.8	Confident	86.5	Confident	9 Å²	9	5.6 Å²	5.6	6%	0.055	3%	0.028	C	C	.	.	H	α-helix	trans	-62.9	-54.9	168.7	178.7	0	0	0	0	110.6	A609 F638 S660 I661 G662 G666 H667 E668 F797	A609-V664 HydrophobicContact CB-CG1 3.44Å; A609-V664 VanDerWaalsContact CB-CG1 3.44Å; F638-V664 HydrophobicContact CE1-CG1 4.21Å; S660-V664 WeakPolarHBondContact O-CG2 3.47Å; S660-V664 PolarHBondContact O-N 2.83Å; I661-V664 HydrophobicContact CD1-CB 4.23Å; I661-V664 HydrophobicContact CD1-CG1 4.29Å; I661-V664 WeakPolarHBondContact O-CB 3.31Å; I661-V664 PolarHBondContact O-N 2.86Å; G662-V664 PolarHBondContact O-N 3.33Å; V664-G666 VanDerWaalsContact C-N 3.26Å; V664-G666 PolarHBondContact O-N 3.25Å; V664-G666 VanDerWaalsContact O-N 3.17Å; V664-H667 WeakPolarHBondContact O-CA 3.23Å; V664-H667 VanDerWaalsContact O-CB 3.28Å; V664-H667 WeakPolarHBondContact O-CB 3.25Å; V664-H667 PolarHBondContact O-N 2.67Å; V664-E668 HydrophobicContact CG1-CG 4.38Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.2Å; V664-E668 VanDerWaalsContact O-CG 3.28Å; V664-E668 WeakPolarHBondContact O-CG 3.22Å; V664-E668 PolarHBondContact O-N 2.98Å; V664-F797 HydrophobicContact CG2-CE2 3.54Å; V664-F797 HydrophobicContact CG2-CZ 3.72Å
665	I	81.6	Confident	86.8	Confident	2 Å²	2	3.9 Å²	3.9	1%	0.01	2%	0.021	C	C	.	.	H	α-helix	trans	-51.6	-42.4	179.6	-71.7	156.7	0	0	0	112.7	L508 I509 I512 F638 I661 G662 E668 I669	L508-I665 HydrophobicContact CB-CD1 4.34Å; L508-I665 HydrophobicContact CD2-CD1 3.71Å; L508-I665 HydrophobicContact CG-CD1 3.71Å; I509-I665 HydrophobicContact CB-CG2 4.29Å; I509-I665 HydrophobicContact CG1-CD1 3.69Å; I509-I665 HydrophobicContact CG1-CG1 3.9Å; I509-I665 HydrophobicContact CG1-CG2 3.88Å; I509-I665 HydrophobicContact CG2-CG2 4.35Å; I512-I665 HydrophobicContact CB-CG2 3.97Å; I512-I665 HydrophobicContact CD1-CB 3.83Å; I512-I665 HydrophobicContact CD1-CD1 4.18Å; I512-I665 HydrophobicContact CD1-CG2 3.76Å; I512-I665 HydrophobicContact CG1-CG2 4.47Å; I512-I665 HydrophobicContact CG2-CG2 4.01Å; F638-I665 HydrophobicContact CE1-CG1 3.77Å; F638-I665 HydrophobicContact CE2-CG1 3.92Å; F638-I665 HydrophobicContact CZ-CB 4.12Å; F638-I665 HydrophobicContact CZ-CG1 3.31Å; I661-I665 HydrophobicContact CG1-CD1 4.21Å; I661-I665 WeakPolarHBondContact O-CB 3.48Å; I661-I665 WeakPolarHBondContact O-CD1 3.26Å; I661-I665 WeakPolarHBondContact O-CG1 3.39Å; I661-I665 PolarHBondContact O-N 3.47Å; G662-I665 WeakPolarHBondContact O-CB 3.36Å; G662-I665 PolarHBondContact O-N 2.7Å; I665-E668 PolarHBondContact O-N 3.08Å; I665-I669 HydrophobicContact CG2-CD1 3.91Å; I665-I669 WeakPolarHBondContact O-CG1 3.37Å; I665-I669 PolarHBondContact O-N 2.77Å
666	G	89.1	Confident	86.9	Confident	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-69	-37.9	176	0	0	0	0	0	113.1	G662 V664 E668 I669 T670 E739	G662-G666 PolarHBondContact O-N 2.69Å; V664-G666 VanDerWaalsContact C-N 3.26Å; V664-G666 PolarHBondContact O-N 3.25Å; V664-G666 VanDerWaalsContact O-N 3.17Å; G666-E668 PolarHBondContact O-N 2.8Å; G666-I669 PolarHBondContact O-N 3.44Å; G666-T670 PolarHBondContact O-N 2.84Å; G666-E739 WeakPolarHBondContact CA-OE2 3.18Å
667	H	87	Confident	87.2	Confident	14 Å²	14	4.3 Å²	4.3	7%	0.065	2%	0.022	C	C	.	.	H	α-helix	trans	-57.2	-41.6	173	172.4	96	0	0	0	110.3	A663 V664 T670 H671 E729 A732 D733 G736 R822	A663-H667 WeakPolarHBondContact O-CB 3.47Å; A663-H667 PolarHBondContact O-N 3.07Å; A663-H667 VanDerWaalsContact O-N 3.11Å; V664-H667 WeakPolarHBondContact O-CA 3.23Å; V664-H667 VanDerWaalsContact O-CB 3.28Å; V664-H667 WeakPolarHBondContact O-CB 3.25Å; V664-H667 PolarHBondContact O-N 2.67Å; H667-T670 PolarHBondContact O-N 3.25Å; H667-H671 AromaticContact CD2-CD2 3.9Å; H667-H671 AromaticContact CD2-NE2 3.94Å; H667-H671 AromaticContact CE1-NE2 3.99Å; H667-H671 AromaticContact NE2-CD2 3.88Å; H667-H671 AromaticContact NE2-NE2 3.42Å; H667-H671 PolarHBondContact NE2-NE2 3.26Å; H667-H671 PolarHBondContact O-N 3.36Å; H667-E729 IonicContact CE1-OE2 3.67Å; H667-E729 IonicContact NE2-OE2 2.76Å; H667-A732 WeakPolarHBondContact CA-O 3.45Å; H667-A732 HydrophobicContact CB-CB 4.42Å; H667-A732 VanDerWaalsContact CE1-CB 3.46Å; H667-A732 WeakPolarHBondContact CE1-CB 3.36Å; H667-A732 WeakPolarHBondContact ND1-CB 3.26Å; H667-A732 WeakPolarHBondContact O-CB 3.44Å; H667-D733 IonicContact CE1-OD1 3.28Å; H667-D733 PolarHBondContact CE1-OD1 3.3Å; H667-D733 PolarHBondContact ND1-N 3.03Å; H667-D733 IonicContact ND1-OD1 2.76Å; H667-D733 PolarHBondContact ND1-OD1 2.95Å; H667-D733 VanDerWaalsContact ND1-OD1 3.08Å; H667-G736 VanDerWaalsContact N-CA 3.26Å; H667-R822 PolarHBondContact CE1-NH2 2.96Å; H667-R822 PolarHBondContact NE2-NH2 2.92Å
668	E	80.7	Confident	87.7	Confident	3 Å²	3	4.2 Å²	4.2	1%	0.014	2%	0.022	C	C	.	.	H	α-helix	trans	-71.5	-33.5	176.7	-46.2	-42.9	164.4	0	0	115.2	A609 F610 Y611 V636 F638 V664 I665 G666 H671	A609-E668 VanDerWaalsContact C-CD 3.46Å; A609-E668 HydrophobicContact CB-CG 3.93Å; A609-E668 WeakPolarHBondContact CB-OE1 3.41Å; F610-E668 WeakPolarHBondContact CA-OE2 3.45Å; F610-E668 PolarHBondContact N-OE1 3.13Å; F610-E668 PolarHBondContact N-OE2 3.42Å; Y611-E668 VanDerWaalsContact CB-O 3.24Å; Y611-E668 WeakPolarHBondContact CB-O 3.44Å; V636-E668 HydrophobicContact CG1-CG 4.36Å; V636-E668 HydrophobicContact CG2-CB 3.4Å; V636-E668 HydrophobicContact CG2-CG 3.5Å; V636-E668 VanDerWaalsContact CG2-CG 3.5Å; F638-E668 HydrophobicContact CZ-CG 4.07Å; V664-E668 HydrophobicContact CG1-CG 4.38Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.2Å; V664-E668 VanDerWaalsContact O-CG 3.28Å; V664-E668 WeakPolarHBondContact O-CG 3.22Å; V664-E668 PolarHBondContact O-N 2.98Å; I665-E668 PolarHBondContact O-N 3.08Å; G666-E668 PolarHBondContact O-N 2.8Å; E668-H671 IonicContact OE2-CD2 2.85Å
669	I	86.9	Confident	88	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-66.2	-46.7	172.7	-72.6	163.7	0	0	0	108.9	I512 R513 F516 M541 I618 I665 G666 H671 G672 F673	I512-I669 HydrophobicContact CB-CD1 4.38Å; I512-I669 HydrophobicContact CG2-CD1 3.93Å; R513-I669 HydrophobicContact CB-CD1 4.19Å; F516-I669 HydrophobicContact CB-CG2 3.99Å; F516-I669 HydrophobicContact CD1-CG2 4.18Å; F516-I669 HydrophobicContact CD2-CG2 3.95Å; F516-I669 HydrophobicContact CG-CG2 3.76Å; M541-I669 HydrophobicContact SD-CG1 4.46Å; M541-I669 HydrophobicContact SD-CG2 4.29Å; I618-I669 HydrophobicContact CD1-CG1 4.33Å; I665-I669 HydrophobicContact CG2-CD1 3.91Å; I665-I669 WeakPolarHBondContact O-CG1 3.37Å; I665-I669 PolarHBondContact O-N 2.77Å; G666-I669 PolarHBondContact O-N 3.44Å; I669-H671 PolarHBondContact O-N 2.98Å; I669-G672 WeakPolarHBondContact O-CA 3.43Å; I669-G672 PolarHBondContact O-N 2.81Å; I669-F673 VanDerWaalsContact O-CD2 3.24Å; I669-F673 WeakPolarHBondContact O-CD2 3.34Å
670	T	93	Very high	88.3	Confident	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.7	-26.4	179.7	-78.3	0	0	0	0	114.4	G666 H667 G672 F673 D674 I731 A732 A735 E739 W858	G666-T670 PolarHBondContact O-N 2.84Å; H667-T670 PolarHBondContact O-N 3.25Å; T670-G672 PolarHBondContact O-N 3.16Å; T670-G672 VanDerWaalsContact O-N 3.1Å; T670-F673 CarbonylContact O-C 3.52Å; T670-F673 VanDerWaalsContact O-C 3.22Å; T670-F673 VanDerWaalsContact O-CA 3.28Å; T670-F673 WeakPolarHBondContact O-CA 3.39Å; T670-F673 PolarHBondContact O-N 3.17Å; T670-D674 PolarHBondContact O-N 3.28Å; T670-I731 HydrophobicContact CG2-CG2 3.9Å; T670-A732 HydrophobicContact CG2-CB 4.39Å; T670-A735 HydrophobicContact CG2-CB 3.56Å; T670-A735 WeakPolarHBondContact OG1-CB 3.49Å; T670-E739 PolarHBondContact OG1-OE1 2.84Å; T670-W858 HydrophobicContact CG2-CG 4.43Å
671	H	89.3	Confident	89	Confident	6 Å²	6	6.6 Å²	6.6	3%	0.028	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-58.1	-20.3	166	-90.8	-51.1	0	0	0	112.5	Y611 H667 E668 I669 F673 D674 G677 E729	Y611-H671 HydrophobicContact CD1-CB 3.71Å; Y611-H671 VanDerWaalsContact CD1-O 3.32Å; Y611-H671 WeakPolarHBondContact CD1-O 3.4Å; Y611-H671 WeakPolarHBondContact CE1-O 3.09Å; Y611-H671 HydrophobicContact CG-CB 3.96Å; H667-H671 AromaticContact CD2-CD2 3.9Å; H667-H671 AromaticContact CD2-NE2 3.94Å; H667-H671 AromaticContact CE1-NE2 3.99Å; H667-H671 AromaticContact NE2-CD2 3.88Å; H667-H671 AromaticContact NE2-NE2 3.42Å; H667-H671 PolarHBondContact NE2-NE2 3.26Å; H667-H671 PolarHBondContact O-N 3.36Å; E668-H671 IonicContact OE2-CD2 2.85Å; I669-H671 PolarHBondContact O-N 2.98Å; H671-F673 PolarHBondContact O-N 3.01Å; H671-D674 IonicContact CE1-OD2 3.08Å; H671-D674 IonicContact CG-OD2 2.69Å; H671-D674 IonicContact ND1-OD2 3.36Å; H671-D674 PolarHBondContact ND1-OD2 3.34Å; H671-G677 WeakPolarHBondContact O-CA 3.44Å; H671-E729 IonicContact CE1-OE1 3.36Å; H671-E729 PolarHBondContact CE1-OE1 3.17Å; H671-E729 IonicContact CE1-OE2 2.68Å; H671-E729 IonicContact NE2-OE2 3.2Å
672	G	90.8	Very high	89.8	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-61.3	-14.5	164.7	0	0	0	0	0	114.9	K537 I669 T670 G677	K537-G672 WeakPolarHBondContact CE-O 2.68Å; K537-G672 PolarHBondContact NZ-O 2.91Å; I669-G672 WeakPolarHBondContact O-CA 3.43Å; I669-G672 PolarHBondContact O-N 2.81Å; T670-G672 PolarHBondContact O-N 3.16Å; T670-G672 VanDerWaalsContact O-N 3.1Å; G672-G677 CarbonylContact O-C 3.15Å
673	F	95.3	Very high	90	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-143.1	12.8	-166.1	-52.5	-83.9	0	0	0	112.8	F516 A534 K537 A538 M541 I669 T670 H671 W689 W858	F516-F673 HydrophobicContact CD1-CE2 4.41Å; F516-F673 AromaticContact CE1-CD2 3.96Å; F516-F673 HydrophobicContact CE1-CD2 3.96Å; F516-F673 HydrophobicContact CE1-CE1 4.25Å; F516-F673 AromaticContact CE1-CE2 3.52Å; F516-F673 HydrophobicContact CE1-CE2 3.52Å; F516-F673 AromaticContact CE1-CZ 3.69Å; F516-F673 HydrophobicContact CE1-CZ 3.69Å; F516-F673 AromaticContact CE2-CD2 3.84Å; F516-F673 HydrophobicContact CE2-CD2 3.84Å; F516-F673 HydrophobicContact CE2-CE2 4.2Å; F516-F673 HydrophobicContact CE2-CG 4.33Å; F516-F673 HydrophobicContact CZ-CB 4.47Å; F516-F673 HydrophobicContact CZ-CD1 4.06Å; F516-F673 AromaticContact CZ-CD2 3.31Å; F516-F673 HydrophobicContact CZ-CD2 3.31Å; F516-F673 HydrophobicContact CZ-CE1 4.11Å; F516-F673 AromaticContact CZ-CE2 3.4Å; F516-F673 HydrophobicContact CZ-CE2 3.4Å; F516-F673 VanDerWaalsContact CZ-CE2 3.4Å; F516-F673 AromaticContact CZ-CG 3.68Å; F516-F673 HydrophobicContact CZ-CG 3.68Å; F516-F673 AromaticContact CZ-CZ 3.81Å; F516-F673 HydrophobicContact CZ-CZ 3.81Å; A534-F673 HydrophobicContact CB-CD1 4.43Å; A534-F673 HydrophobicContact CB-CE1 4.03Å; A534-F673 WeakPolarHBondContact O-CE1 3.09Å; A534-F673 WeakPolarHBondContact O-CZ 3.32Å; K537-F673 HydrophobicContact CB-CE1 4.06Å; K537-F673 HydrophobicContact CB-CZ 4.07Å; K537-F673 HydrophobicContact CD-CE1 3.77Å; K537-F673 HydrophobicContact CD-CZ 4.05Å; K537-F673 HydrophobicContact CG-CE1 4.02Å; K537-F673 HydrophobicContact CG-CZ 3.88Å; A538-F673 HydrophobicContact CB-CE2 4.25Å; A538-F673 HydrophobicContact CB-CZ 3.93Å; M541-F673 HydrophobicContact SD-CE2 4.4Å; I669-F673 VanDerWaalsContact O-CD2 3.24Å; I669-F673 WeakPolarHBondContact O-CD2 3.34Å; T670-F673 CarbonylContact O-C 3.52Å; T670-F673 VanDerWaalsContact O-C 3.22Å; T670-F673 VanDerWaalsContact O-CA 3.28Å; T670-F673 WeakPolarHBondContact O-CA 3.39Å; T670-F673 PolarHBondContact O-N 3.17Å; H671-F673 PolarHBondContact O-N 3.01Å; F673-W689 HydrophobicContact CD1-CH2 4.18Å; F673-W689 HydrophobicContact CD1-CZ2 4.45Å; F673-W858 HydrophobicContact CB-CD2 4.41Å; F673-W858 HydrophobicContact CB-CH2 4.04Å; F673-W858 HydrophobicContact CB-CZ2 3.49Å; F673-W858 VanDerWaalsContact CB-CZ2 3.49Å; F673-W858 HydrophobicContact CD1-CH2 4.41Å; F673-W858 HydrophobicContact CG-CZ2 4.43Å; F673-W858 VanDerWaalsContact O-CZ2 3.29Å; F673-W858 WeakPolarHBondContact O-CZ2 3.47Å; F673-W858 PolarHBondContact O-NE1 3.31Å
674	D	94.5	Very high	90.1	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	6%	0.056	C	C	.	.	S	Bend	trans	-76.1	-174.9	170.8	78.2	9.2	0	0	0	111.6	T670 H671 Q676 G677 S678 I731	T670-D674 PolarHBondContact O-N 3.28Å; H671-D674 IonicContact CE1-OD2 3.08Å; H671-D674 IonicContact CG-OD2 2.69Å; H671-D674 IonicContact ND1-OD2 3.36Å; H671-D674 PolarHBondContact ND1-OD2 3.34Å; D674-Q676 PolarHBondContact O-N 3.1Å; D674-Q676 VanDerWaalsContact O-N 3.14Å; D674-Q676 WeakPolarHBondContact OD1-CA 3.31Å; D674-Q676 PolarHBondContact OD1-N 2.99Å; D674-G677 PolarHBondContact OD1-N 3.13Å; D674-S678 WeakPolarHBondContact O-CB 3.18Å; D674-S678 PolarHBondContact O-N 2.86Å; D674-S678 PolarHBondContact O-OG 2.9Å; D674-I731 HydrophobicContact CB-CB 4.37Å; D674-I731 HydrophobicContact CB-CD1 4.46Å; D674-I731 HydrophobicContact CB-CG2 4.25Å
675	D	94.3	Very high	90.8	Very high	19 Å²	19	12.1 Å²	12.1	10%	0.102	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	-177.2	73.6	-59.7	0	0	0	114.6	R364 Q679 Q727 I731	R364-D675 WeakPolarHBondContact CB-OD2 3.49Å; R364-D675 IonicContact CZ-OD1 3.55Å; R364-D675 IonicContact CZ-OD2 2.79Å; R364-D675 IonicContact NE-OD1 2.7Å; R364-D675 PolarHBondContact NE-OD1 2.86Å; R364-D675 IonicContact NE-OD2 2.64Å; R364-D675 PolarHBondContact NE-OD2 3.41Å; R364-D675 IonicContact NH2-OD1 3.56Å; R364-D675 PolarHBondContact NH2-OD1 2.79Å; R364-D675 IonicContact NH2-OD2 3.8Å; D675-Q679 PolarHBondContact O-NE2 2.88Å; D675-Q727 HydrophobicContact CB-CG 4.2Å; D675-Q727 VanDerWaalsContact CG-CD 3.43Å; D675-Q727 VanDerWaalsContact CG-CG 3.41Å; D675-Q727 VanDerWaalsContact OD1-CG 3.28Å; D675-Q727 WeakPolarHBondContact OD1-CG 3.35Å; D675-Q727 VanDerWaalsContact OD2-CD 3.23Å; D675-Q727 PolarHBondContact OD2-OE1 3Å; D675-I731 HydrophobicContact CB-CD1 4.49Å
676	Q	91.6	Very high	91.4	Very high	18 Å²	18	12.4 Å²	12.4	8%	0.084	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-54	176	-64.8	-178.8	-82	0	0	111.3	R364 H366 D674 S678 Q679 Y680	R364-Q676 HydrophobicContact CB-CG 4.08Å; R364-Q676 VanDerWaalsContact NH1-OE1 3.14Å; H366-Q676 PolarHBondContact NE2-NE2 3.31Å; D674-Q676 PolarHBondContact O-N 3.1Å; D674-Q676 VanDerWaalsContact O-N 3.14Å; D674-Q676 WeakPolarHBondContact OD1-CA 3.31Å; D674-Q676 PolarHBondContact OD1-N 2.99Å; Q676-S678 VanDerWaalsContact C-N 3.3Å; Q676-S678 PolarHBondContact O-N 3.05Å; Q676-Q679 WeakPolarHBondContact O-CB 3.19Å; Q676-Q679 PolarHBondContact O-N 3.3Å; Q676-Y680 WeakPolarHBondContact O-CD2 3.39Å
677	G	91.4	Very high	91.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29.5	-177.6	0	0	0	0	0	113.9	K537 H671 G672 D674 Q679 Y680	K537-G677 PolarHBondContact NZ-O 3.23Å; H671-G677 WeakPolarHBondContact O-CA 3.44Å; G672-G677 CarbonylContact O-C 3.15Å; D674-G677 PolarHBondContact OD1-N 3.13Å; G677-Q679 PolarHBondContact O-N 3.25Å; G677-Q679 VanDerWaalsContact O-N 3.15Å; G677-Y680 PolarHBondContact O-N 3.05Å
678	S	94.6	Very high	91.9	Very high	2 Å²	2	23 Å²	23	1%	0.014	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-59.1	-20.7	173	56.8	0	0	0	0	114.5	D674 Q676 Y680 W689 W690	D674-S678 WeakPolarHBondContact O-CB 3.18Å; D674-S678 PolarHBondContact O-N 2.86Å; D674-S678 PolarHBondContact O-OG 2.9Å; Q676-S678 VanDerWaalsContact C-N 3.3Å; Q676-S678 PolarHBondContact O-N 3.05Å; S678-Y680 PolarHBondContact O-N 3.29Å; S678-W689 VanDerWaalsContact O-CE2 3.3Å; S678-W689 WeakPolarHBondContact O-CZ2 3.48Å; S678-W689 PolarHBondContact O-NE1 3.38Å; S678-W690 PolarHBondContact O-NE1 3.42Å; S678-W690 VanDerWaalsContact O-NE1 3.09Å
679	Q	95.1	Very high	92.6	Very high	30 Å²	30	23.9 Å²	23.9	14%	0.14	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-77.8	-1.1	-179.2	-56.7	173.6	46.4	0	0	113.1	R364 D675 Q676 G677 L686 K687	R364-Q679 PolarHBondContact O-NE2 3.24Å; D675-Q679 PolarHBondContact O-NE2 2.88Å; Q676-Q679 WeakPolarHBondContact O-CB 3.19Å; Q676-Q679 PolarHBondContact O-N 3.3Å; G677-Q679 PolarHBondContact O-N 3.25Å; G677-Q679 VanDerWaalsContact O-N 3.15Å; Q679-L686 HydrophobicContact CB-CD1 3.77Å; Q679-L686 CarbonylContact O-C 3.59Å; Q679-L686 WeakPolarHBondContact O-CA 3.43Å; Q679-K687 PolarHBondContact O-N 3.43Å
680	Y	93.7	Very high	93.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.016	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-122.7	144.5	-170.5	-66.9	-108.9	0	0	0	112.2	A278 H366 K537 P613 E614 Q676 G677 S678 G684 N685 L686 W689	A278-Y680 HydrophobicContact CB-CE1 4.32Å; H366-Y680 HydrophobicContact CB-CE2 4.18Å; H366-Y680 AromaticContact ND1-CE2 3.47Å; H366-Y680 WeakPolarHBondContact ND1-CE2 3.42Å; H366-Y680 AromaticContact ND1-CZ 3.57Å; H366-Y680 PolarHBondContact ND1-OH 3.45Å; K537-Y680 WeakPolarHBondContact CE-O 3.49Å; K537-Y680 PolarHBondContact NZ-O 3.44Å; P613-Y680 HydrophobicContact CB-CD1 3.55Å; P613-Y680 HydrophobicContact CB-CD2 3.35Å; P613-Y680 HydrophobicContact CB-CE1 3.65Å; P613-Y680 HydrophobicContact CB-CE2 3.48Å; P613-Y680 VanDerWaalsContact CB-CE2 3.48Å; P613-Y680 HydrophobicContact CB-CG 3.38Å; P613-Y680 HydrophobicContact CG-CD2 4.21Å; P613-Y680 HydrophobicContact CG-CE2 4.05Å; E614-Y680 HydrophobicContact CG-CE1 3.93Å; E614-Y680 WeakPolarHBondContact OE1-CE1 3.17Å; E614-Y680 VanDerWaalsContact OE1-CZ 3.28Å; E614-Y680 PolarHBondContact OE1-OH 3.02Å; Q676-Y680 WeakPolarHBondContact O-CD2 3.39Å; G677-Y680 PolarHBondContact O-N 3.05Å; S678-Y680 PolarHBondContact O-N 3.29Å; Y680-G684 VanDerWaalsContact CD1-O 3.29Å; Y680-G684 WeakPolarHBondContact CD1-O 3.48Å; Y680-N685 CarbonylContact C-O 3.57Å; Y680-N685 WeakPolarHBondContact CA-O 3.29Å; Y680-L686 HydrophobicContact CD1-CB 4.08Å; Y680-L686 HydrophobicContact CD2-CD1 4.06Å; Y680-L686 HydrophobicContact CE1-CB 3.94Å; Y680-L686 HydrophobicContact CE1-CD1 4.28Å; Y680-L686 HydrophobicContact CE2-CD1 3.68Å; Y680-W689 PolarHBondContact O-NE1 2.7Å
681	D	93.1	Very high	93.2	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.107	13%	0.129	C	C	.	.			trans	-82.6	-179.4	178.3	80.3	8.1	0	0	0	114	N683 G684 N685 K687	D681-N683 PolarHBondContact O-N 3.3Å; D681-N683 VanDerWaalsContact O-N 3.14Å; D681-N683 WeakPolarHBondContact OD1-CA 3.28Å; D681-N683 WeakPolarHBondContact OD1-CB 3.37Å; D681-N683 PolarHBondContact OD1-N 2.81Å; D681-G684 PolarHBondContact O-N 2.03Å; D681-G684 PolarHBondContact OD1-N 3.13Å; D681-G684 VanDerWaalsContact OD1-N 3.16Å; D681-N685 PolarHBondContact N-O 3.04Å; D681-N685 PolarHBondContact OD1-N 3.26Å; D681-N685 PolarHBondContact OD1-ND2 3.3Å; D681-N685 PolarHBondContact OD2-ND2 3.42Å; D681-K687 HydrophobicContact CB-CD 4.3Å
682	K	92.4	Very high	93.5	Very high	43 Å²	43	31.3 Å²	31.3	19%	0.187	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	179.5	78	-172.9	-151.8	147	0	115.4	E536 K537 E540 R597 N616	E536-K682 VanDerWaalsContact CD-CD 3.44Å; E536-K682 HydrophobicContact CG-CD 3.83Å; E536-K682 IonicContact OE1-NZ 2.79Å; E536-K682 PolarHBondContact OE1-NZ 3.47Å; E536-K682 VanDerWaalsContact OE2-CD 3.28Å; E536-K682 WeakPolarHBondContact OE2-CD 3.32Å; E536-K682 IonicContact OE2-NZ 3.15Å; K537-K682 HydrophobicContact CB-CB 4.16Å; K537-K682 HydrophobicContact CG-CB 4.44Å; E540-K682 HydrophobicContact CB-CB 4.07Å; E540-K682 HydrophobicContact CG-CB 4.19Å; E540-K682 HydrophobicContact CG-CD 3.99Å; E540-K682 HydrophobicContact CG-CG 4.32Å; E540-K682 IonicContact OE1-NZ 3.42Å; E540-K682 PolarHBondContact OE1-NZ 3.02Å; R597-K682 PolarHBondContact NH2-O 3.09Å; N616-K682 WeakPolarHBondContact CB-O 3.13Å; N616-K682 PolarHBondContact ND2-O 3.4Å
683	N	90	Very high	93.7	Very high	61 Å²	61	35.3 Å²	35.3	33%	0.326	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-0.9	175.5	-65.2	-59.1	0	0	0	112.5	T281 R597 D681 N685	T281-N683 PolarHBondContact OG1-O 3.13Å; R597-N683 PolarHBondContact NE-O 3.3Å; R597-N683 PolarHBondContact NH1-OD1 2.85Å; D681-N683 PolarHBondContact O-N 3.3Å; D681-N683 VanDerWaalsContact O-N 3.14Å; D681-N683 WeakPolarHBondContact OD1-CA 3.28Å; D681-N683 WeakPolarHBondContact OD1-CB 3.37Å; D681-N683 PolarHBondContact OD1-N 2.81Å; N683-N685 WeakPolarHBondContact CB-ND2 3.46Å
684	G	89.3	Confident	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	80.3	18.1	-174.6	0	0	0	0	0	114.4	T281 P613 E614 Y680 D681	T281-G684 VanDerWaalsContact CG2-C 3.44Å; T281-G684 WeakPolarHBondContact CG2-O 3.23Å; P613-G684 WeakPolarHBondContact O-CA 2.97Å; E614-G684 WeakPolarHBondContact CA-O 3.5Å; Y680-G684 VanDerWaalsContact CD1-O 3.29Å; Y680-G684 WeakPolarHBondContact CD1-O 3.48Å; D681-G684 PolarHBondContact O-N 2.03Å; D681-G684 PolarHBondContact OD1-N 3.13Å; D681-G684 VanDerWaalsContact OD1-N 3.16Å
685	N	93.8	Very high	93.9	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	20%	0.203	C	C	.	.			trans	-84.4	126.7	173.5	-53.5	-78	0	0	0	110.3	A278 N280 T281 Y680 D681 N683 K687	A278-N685 CarbonylContact O-C 3.43Å; A278-N685 WeakPolarHBondContact O-CA 3.05Å; N280-N685 VanDerWaalsContact CA-OD1 3.31Å; N280-N685 WeakPolarHBondContact CA-OD1 3.49Å; T281-N685 PolarHBondContact N-OD1 2.99Å; T281-N685 PolarHBondContact OG1-OD1 2.85Å; Y680-N685 CarbonylContact C-O 3.57Å; Y680-N685 WeakPolarHBondContact CA-O 3.29Å; D681-N685 PolarHBondContact N-O 3.04Å; D681-N685 PolarHBondContact OD1-N 3.26Å; D681-N685 PolarHBondContact OD1-ND2 3.3Å; D681-N685 PolarHBondContact OD2-ND2 3.42Å; N683-N685 WeakPolarHBondContact CB-ND2 3.46Å; N685-K687 WeakPolarHBondContact O-CB 3.44Å; N685-K687 PolarHBondContact O-N 3.02Å
686	L	93.9	Very high	94	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-57.5	97.5	167.9	-177.4	73.3	0	0	0	109.6	A278 K279 H366 Y370 Q679 Y680	A278-L686 HydrophobicContact CB-CB 4.08Å; A278-L686 HydrophobicContact CB-CD2 4.3Å; A278-L686 VanDerWaalsContact O-CB 3.27Å; A278-L686 WeakPolarHBondContact O-CB 3.32Å; A278-L686 PolarHBondContact O-N 3.3Å; K279-L686 HydrophobicContact CG-CB 4.21Å; K279-L686 HydrophobicContact CG-CD2 4.34Å; H366-L686 HydrophobicContact CB-CD1 3.72Å; H366-L686 HydrophobicContact CB-CD2 4.47Å; Y370-L686 HydrophobicContact CD2-CD2 4.29Å; Y370-L686 HydrophobicContact CG-CD2 4.15Å; Q679-L686 HydrophobicContact CB-CD1 3.77Å; Q679-L686 CarbonylContact O-C 3.59Å; Q679-L686 WeakPolarHBondContact O-CA 3.43Å; Y680-L686 HydrophobicContact CD1-CB 4.08Å; Y680-L686 HydrophobicContact CD2-CD1 4.06Å; Y680-L686 HydrophobicContact CE1-CB 3.94Å; Y680-L686 HydrophobicContact CE1-CD1 4.28Å; Y680-L686 HydrophobicContact CE2-CD1 3.68Å
687	K	94.3	Very high	94.2	Very high	118 Å²	118	46.3 Å²	46.3	51%	0.513	23%	0.232	S	C	.	.			trans	-155.9	130.5	-165.7	179.7	-168.5	170.4	-166	0	107.8	Q679 D681 N685 W689	Q679-K687 PolarHBondContact O-N 3.43Å; D681-K687 HydrophobicContact CB-CD 4.3Å; N685-K687 WeakPolarHBondContact O-CB 3.44Å; N685-K687 PolarHBondContact O-N 3.02Å; K687-W689 VanDerWaalsContact O-CD1 3.26Å; K687-W689 PolarHBondContact O-N 3.13Å
688	D	92.7	Very high	94.5	Very high	119 Å²	119	46.6 Å²	46.6	64%	0.636	23%	0.233	S	C	*	.			trans	-69.3	130.6	170.9	-163.1	-2.3	0	0	0	110.4	W690	D688-W690 PolarHBondContact OD1-N 3.04Å
689	W	95.4	Very high	94.5	Very high	20 Å²	20	51.1 Å²	51.1	8%	0.076	25%	0.25	C	S	.	.			trans	-134.3	8	177.5	56.1	-96.7	0	0	0	112.4	T530 I533 A534 F673 S678 Y680 K687	T530-W689 HydrophobicContact CG2-CE3 4.01Å; T530-W689 HydrophobicContact CG2-CZ3 3.74Å; I533-W689 HydrophobicContact CB-CE3 4.12Å; I533-W689 HydrophobicContact CD1-CB 4.47Å; I533-W689 HydrophobicContact CG2-CB 4.06Å; I533-W689 HydrophobicContact CG2-CD2 3.94Å; I533-W689 HydrophobicContact CG2-CE3 3.7Å; I533-W689 HydrophobicContact CG2-CG 4.1Å; I533-W689 HydrophobicContact CG2-CZ3 4.49Å; A534-W689 HydrophobicContact CB-CH2 4.29Å; A534-W689 HydrophobicContact CB-CZ3 4.15Å; F673-W689 HydrophobicContact CD1-CH2 4.18Å; F673-W689 HydrophobicContact CD1-CZ2 4.45Å; S678-W689 VanDerWaalsContact O-CE2 3.3Å; S678-W689 WeakPolarHBondContact O-CZ2 3.48Å; S678-W689 PolarHBondContact O-NE1 3.38Å; Y680-W689 PolarHBondContact O-NE1 2.7Å; K687-W689 VanDerWaalsContact O-CD1 3.26Å; K687-W689 PolarHBondContact O-N 3.13Å
690	W	95.7	Very high	94.5	Very high	21 Å²	21	55.1 Å²	55.1	8%	0.08	27%	0.269	C	S	.	.	S	Bend	trans	-89.1	146.7	178.7	-64.8	82	0	0	0	110.9	W525 M526 T530 S678 D688 A694 F695 F698 W858	W525-W690 HydrophobicContact CH2-CH2 4.06Å; W525-W690 AromaticContact CH2-CZ3 3.77Å; W525-W690 HydrophobicContact CH2-CZ3 3.77Å; W525-W690 AromaticContact CZ3-CZ3 3.82Å; W525-W690 HydrophobicContact CZ3-CZ3 3.82Å; M526-W690 HydrophobicContact SD-CZ3 4Å; T530-W690 HydrophobicContact CG2-CD2 4.18Å; T530-W690 HydrophobicContact CG2-CE3 3.69Å; T530-W690 HydrophobicContact CG2-CZ3 4.12Å; S678-W690 PolarHBondContact O-NE1 3.42Å; S678-W690 VanDerWaalsContact O-NE1 3.09Å; D688-W690 PolarHBondContact OD1-N 3.04Å; W690-A694 HydrophobicContact CE3-CB 3.84Å; W690-A694 HydrophobicContact CZ3-CB 4.35Å; W690-F695 HydrophobicContact CB-CB 3.89Å; W690-F695 HydrophobicContact CD2-CD2 4.48Å; W690-F695 HydrophobicContact CG-CB 4.33Å; W690-F695 HydrophobicContact CG-CD2 4.27Å; W690-F698 HydrophobicContact CH2-CB 4.24Å; W690-F698 AromaticContact CH2-CD2 3.83Å; W690-F698 HydrophobicContact CH2-CD2 3.83Å; W690-F698 HydrophobicContact CH2-CE2 4.27Å; W690-F698 AromaticContact CH2-CG 3.95Å; W690-F698 HydrophobicContact CH2-CG 3.95Å; W690-F698 HydrophobicContact CZ2-CG 4.5Å; W690-F698 HydrophobicContact CZ3-CB 4.02Å; W690-F698 HydrophobicContact CZ3-CD2 4.4Å; W690-F698 HydrophobicContact CZ3-CG 4.24Å; W690-W858 AromaticContact CH2-CH2 3.73Å; W690-W858 HydrophobicContact CH2-CH2 3.73Å; W690-W858 AromaticContact CH2-CZ2 3.94Å; W690-W858 HydrophobicContact CH2-CZ2 3.94Å; W690-W858 HydrophobicContact CZ2-CH2 4.45Å
691	T	96.2	Very high	94.6	Very high	29 Å²	29	57.5 Å²	57.5	18%	0.178	28%	0.278	C	S	.	.			trans	-69.4	150.8	156.3	76.8	0	0	0	0	109.4	D527 T530 T693 A694 F695	D527-T691 WeakPolarHBondContact OD1-CG2 3.28Å; D527-T691 WeakPolarHBondContact OD2-CB 3.01Å; D527-T691 VanDerWaalsContact OD2-CG2 3.29Å; D527-T691 WeakPolarHBondContact OD2-CG2 3.31Å; D527-T691 PolarHBondContact OD2-OG1 3.47Å; T530-T691 PolarHBondContact OG1-N 3.07Å; T691-T693 PolarHBondContact O-N 2.85Å; T691-T693 VanDerWaalsContact O-N 3.15Å; T691-A694 PolarHBondContact O-N 3.07Å; T691-A694 VanDerWaalsContact O-N 3.15Å; T691-A694 WeakPolarHBondContact OG1-CB 3.29Å; T691-A694 PolarHBondContact OG1-N 2.92Å; T691-F695 PolarHBondContact O-N 3.05Å
692	P	95.9	Very high	94.7	Very high	112 Å²	112	56.9 Å²	56.9	73%	0.727	28%	0.275	S	S	*	.	H	α-helix	trans	-55.6	-32.9	175	-27.6	35.7	0	0	0	113.4	E696	P692-E696 PolarHBondContact O-N 2.83Å; P692-E696 VanDerWaalsContact O-N 3.11Å
693	T	95.7	Very high	94.9	Very high	85 Å²	85	57.5 Å²	57.5	52%	0.521	28%	0.282	S	S	.	.	H	α-helix	trans	-71.8	-42.8	178.2	-52	0	0	0	0	112	T691 R697	T691-T693 PolarHBondContact O-N 2.85Å; T691-T693 VanDerWaalsContact O-N 3.15Å; T693-R697 WeakPolarHBondContact O-CB 3.28Å; T693-R697 WeakPolarHBondContact O-CG 3.27Å; T693-R697 PolarHBondContact O-N 3.2Å
694	A	96.4	Very high	95.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-42.4	175.3	0	0	0	0	0	111.2	M526 T530 W690 T691 E696 R697 F698	M526-A694 HydrophobicContact CG-CB 4.22Å; T530-A694 HydrophobicContact CG2-CB 4.07Å; W690-A694 HydrophobicContact CE3-CB 3.84Å; W690-A694 HydrophobicContact CZ3-CB 4.35Å; T691-A694 PolarHBondContact O-N 3.07Å; T691-A694 VanDerWaalsContact O-N 3.15Å; T691-A694 WeakPolarHBondContact OG1-CB 3.29Å; T691-A694 PolarHBondContact OG1-N 2.92Å; A694-E696 PolarHBondContact O-N 3.31Å; A694-R697 PolarHBondContact O-N 3.47Å; A694-F698 WeakPolarHBondContact O-CB 3.2Å; A694-F698 PolarHBondContact O-N 2.68Å
695	F	95.9	Very high	95.5	Very high	83 Å²	83	55.9 Å²	55.9	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-38.9	179.1	-173.9	-117.1	0	0	0	113.2	W690 T691 F698 R699	W690-F695 HydrophobicContact CB-CB 3.89Å; W690-F695 HydrophobicContact CD2-CD2 4.48Å; W690-F695 HydrophobicContact CG-CB 4.33Å; W690-F695 HydrophobicContact CG-CD2 4.27Å; T691-F695 PolarHBondContact O-N 3.05Å; F695-F698 PolarHBondContact O-N 2.59Å; F695-R699 VanDerWaalsContact CE1-NH2 3.33Å; F695-R699 PolarHBondContact O-N 3.03Å
696	E	96.6	Very high	95.6	Very high	89 Å²	89	56 Å²	56	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-45.5	175	-161.6	63.2	-141.2	0	0	111.1	P692 A694 F698 R699 E700	P692-E696 PolarHBondContact O-N 2.83Å; P692-E696 VanDerWaalsContact O-N 3.11Å; A694-E696 PolarHBondContact O-N 3.31Å; E696-F698 VanDerWaalsContact C-N 3.31Å; E696-F698 PolarHBondContact O-N 3.11Å; E696-R699 WeakPolarHBondContact O-CA 3.44Å; E696-R699 WeakPolarHBondContact O-CB 3.03Å; E696-R699 PolarHBondContact O-N 3.28Å; E696-R699 IonicContact OE1-CZ 2.69Å; E696-R699 IonicContact OE1-NH1 2.67Å; E696-R699 PolarHBondContact OE1-NH1 3.09Å; E696-R699 IonicContact OE1-NH2 3.95Å; E696-R699 IonicContact OE2-CZ 3.47Å; E696-R699 IonicContact OE2-NH1 3.99Å; E696-R699 PolarHBondContact OE2-NH1 3.31Å; E696-R699 IonicContact OE2-NH2 3.4Å; E696-R699 PolarHBondContact OE2-NH2 3.33Å; E696-E700 WeakPolarHBondContact O-CG 3.29Å; E696-E700 PolarHBondContact O-N 2.86Å
697	R	96.6	Very high	95.7	Very high	100 Å²	100	60.8 Å²	60.8	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-28	177.7	-72.4	174	170.4	-168.7	-6.5	114.2	W525 T693 A694 R701	W525-R697 HydrophobicContact CB-CB 4.41Å; W525-R697 HydrophobicContact CE3-CB 3.85Å; W525-R697 WeakPolarHBondContact O-CD 3.36Å; W525-R697 PolarHBondContact O-NH1 2.85Å; T693-R697 WeakPolarHBondContact O-CB 3.28Å; T693-R697 WeakPolarHBondContact O-CG 3.27Å; T693-R697 PolarHBondContact O-N 3.2Å; A694-R697 PolarHBondContact O-N 3.47Å; R697-R701 WeakPolarHBondContact O-CD 3.32Å; R697-R701 WeakPolarHBondContact O-CG 3Å; R697-R701 PolarHBondContact O-N 3.48Å; R697-R701 PolarHBondContact O-NH1 3.02Å
698	F	96.9	Very high	95.8	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-47.2	167.9	178.2	-108.5	0	0	0	110.2	W525 W690 A694 F695 E696 E700 R701 T702 V857 W858	W525-F698 HydrophobicContact CH2-CB 3.99Å; W525-F698 AromaticContact CH2-CD2 3.87Å; W525-F698 HydrophobicContact CH2-CD2 3.87Å; W525-F698 HydrophobicContact CH2-CG 4.41Å; W525-F698 HydrophobicContact CZ3-CB 3.81Å; W690-F698 HydrophobicContact CH2-CB 4.24Å; W690-F698 AromaticContact CH2-CD2 3.83Å; W690-F698 HydrophobicContact CH2-CD2 3.83Å; W690-F698 HydrophobicContact CH2-CE2 4.27Å; W690-F698 AromaticContact CH2-CG 3.95Å; W690-F698 HydrophobicContact CH2-CG 3.95Å; W690-F698 HydrophobicContact CZ2-CG 4.5Å; W690-F698 HydrophobicContact CZ3-CB 4.02Å; W690-F698 HydrophobicContact CZ3-CD2 4.4Å; W690-F698 HydrophobicContact CZ3-CG 4.24Å; A694-F698 WeakPolarHBondContact O-CB 3.2Å; A694-F698 PolarHBondContact O-N 2.68Å; F695-F698 PolarHBondContact O-N 2.59Å; E696-F698 VanDerWaalsContact C-N 3.31Å; E696-F698 PolarHBondContact O-N 3.11Å; F698-E700 VanDerWaalsContact C-N 3.35Å; F698-E700 PolarHBondContact O-N 2.73Å; F698-R701 PolarHBondContact O-N 2.76Å; F698-T702 HydrophobicContact CD1-CG2 4.26Å; F698-T702 HydrophobicContact CD2-CG2 4.31Å; F698-T702 HydrophobicContact CE1-CG2 3.91Å; F698-T702 HydrophobicContact CE2-CG2 3.96Å; F698-T702 HydrophobicContact CG-CG2 4.46Å; F698-T702 HydrophobicContact CZ-CG2 3.75Å; F698-T702 PolarHBondContact O-N 2.73Å; F698-T702 PolarHBondContact O-OG1 2.92Å; F698-V857 HydrophobicContact CD2-CG1 3.73Å; F698-V857 HydrophobicContact CE2-CG1 3.6Å; F698-W858 HydrophobicContact CD2-CZ2 4.14Å; F698-W858 AromaticContact CE2-CZ2 3.76Å; F698-W858 HydrophobicContact CE2-CZ2 3.76Å
699	R	95.4	Very high	95.9	Very high	96 Å²	96	49.9 Å²	49.9	36%	0.362	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-37.6	177.5	-159.1	-170.2	-49.6	128.9	21.7	113.2	F695 E696 R701 T702 T703	F695-R699 VanDerWaalsContact CE1-NH2 3.33Å; F695-R699 PolarHBondContact O-N 3.03Å; E696-R699 WeakPolarHBondContact O-CA 3.44Å; E696-R699 WeakPolarHBondContact O-CB 3.03Å; E696-R699 PolarHBondContact O-N 3.28Å; E696-R699 IonicContact OE1-CZ 2.69Å; E696-R699 IonicContact OE1-NH1 2.67Å; E696-R699 PolarHBondContact OE1-NH1 3.09Å; E696-R699 IonicContact OE1-NH2 3.95Å; E696-R699 IonicContact OE2-CZ 3.47Å; E696-R699 IonicContact OE2-NH1 3.99Å; E696-R699 PolarHBondContact OE2-NH1 3.31Å; E696-R699 IonicContact OE2-NH2 3.4Å; E696-R699 PolarHBondContact OE2-NH2 3.33Å; R699-R701 VanDerWaalsContact C-N 3.27Å; R699-R701 PolarHBondContact O-N 3.07Å; R699-T702 PolarHBondContact O-OG1 3.39Å; R699-T703 WeakPolarHBondContact O-CB 3.27Å; R699-T703 PolarHBondContact O-N 2.91Å; R699-T703 PolarHBondContact O-OG1 3.44Å
700	E	95.4	Very high	96	Very high	114 Å²	114	51.9 Å²	51.9	53%	0.533	26%	0.257	S	S	.	.	H	α-helix	trans	-56	-43.3	171	-70.6	174.9	157.9	0	0	111.4	E696 F698 C704	E696-E700 WeakPolarHBondContact O-CG 3.29Å; E696-E700 PolarHBondContact O-N 2.86Å; F698-E700 VanDerWaalsContact C-N 3.35Å; F698-E700 PolarHBondContact O-N 2.73Å; E700-C704 PolarHBondContact O-N 2.9Å
701	R	95.2	Very high	95.9	Very high	55 Å²	55	55.9 Å²	55.9	21%	0.208	28%	0.28	C	S	.	.	H	α-helix	trans	-77.7	-40.2	-175.9	-72	166.4	173.6	61.4	8.6	113	W525 R697 F698 R699 T703 C704 I705 S856 V857	W525-R701 VanDerWaalsContact CG-NE 3.29Å; R697-R701 WeakPolarHBondContact O-CD 3.32Å; R697-R701 WeakPolarHBondContact O-CG 3Å; R697-R701 PolarHBondContact O-N 3.48Å; R697-R701 PolarHBondContact O-NH1 3.02Å; F698-R701 PolarHBondContact O-N 2.76Å; R699-R701 VanDerWaalsContact C-N 3.27Å; R699-R701 PolarHBondContact O-N 3.07Å; R701-T703 VanDerWaalsContact C-N 3.27Å; R701-T703 PolarHBondContact O-N 3.29Å; R701-C704 VanDerWaalsContact O-CB 3.32Å; R701-C704 WeakPolarHBondContact O-CB 3.45Å; R701-C704 PolarHBondContact O-N 3.3Å; R701-I705 PolarHBondContact O-N 2.98Å; R701-S856 WeakPolarHBondContact CD-O 3.45Å; R701-S856 WeakPolarHBondContact CG-O 3.02Å; R701-V857 HydrophobicContact CB-CB 4.4Å; R701-V857 HydrophobicContact CB-CG1 4.36Å; R701-V857 HydrophobicContact CB-CG2 4.05Å
702	T	95.6	Very high	95.8	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-31.9	172.1	60.4	0	0	0	0	111.4	F698 R699 C704 I705 I706 I731 V857	F698-T702 HydrophobicContact CD1-CG2 4.26Å; F698-T702 HydrophobicContact CD2-CG2 4.31Å; F698-T702 HydrophobicContact CE1-CG2 3.91Å; F698-T702 HydrophobicContact CE2-CG2 3.96Å; F698-T702 HydrophobicContact CG-CG2 4.46Å; F698-T702 HydrophobicContact CZ-CG2 3.75Å; F698-T702 PolarHBondContact O-N 2.73Å; F698-T702 PolarHBondContact O-OG1 2.92Å; R699-T702 PolarHBondContact O-OG1 3.39Å; T702-C704 PolarHBondContact O-N 3.29Å; T702-I705 WeakPolarHBondContact O-CB 3.42Å; T702-I705 PolarHBondContact O-N 3.41Å; T702-I706 WeakPolarHBondContact O-CG1 3.36Å; T702-I706 PolarHBondContact O-N 3.28Å; T702-I731 HydrophobicContact CG2-CD1 3.55Å; T702-I731 HydrophobicContact CG2-CG1 4.31Å; T702-V857 HydrophobicContact CG2-CG1 4.45Å
703	T	96	Very high	95.8	Very high	55 Å²	55	53.7 Å²	53.7	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-37.9	172.6	-60.9	0	0	0	0	112	R699 R701 I705 I706 E707	R699-T703 WeakPolarHBondContact O-CB 3.27Å; R699-T703 PolarHBondContact O-N 2.91Å; R699-T703 PolarHBondContact O-OG1 3.44Å; R701-T703 VanDerWaalsContact C-N 3.27Å; R701-T703 PolarHBondContact O-N 3.29Å; T703-I705 PolarHBondContact O-N 2.84Å; T703-I706 PolarHBondContact O-N 3.02Å; T703-E707 HydrophobicContact CG2-CG 4.44Å; T703-E707 WeakPolarHBondContact O-CG 3.46Å; T703-E707 PolarHBondContact O-N 3.41Å
704	C	95.8	Very high	95.6	Very high	28 Å²	28	50.1 Å²	50.1	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-48.6	170.7	-169.7	0	0	0	0	111.4	E700 R701 T702 I706 E707 Q708 C855	E700-C704 PolarHBondContact O-N 2.9Å; R701-C704 VanDerWaalsContact O-CB 3.32Å; R701-C704 WeakPolarHBondContact O-CB 3.45Å; R701-C704 PolarHBondContact O-N 3.3Å; T702-C704 PolarHBondContact O-N 3.29Å; C704-I706 VanDerWaalsContact C-N 3.34Å; C704-I706 PolarHBondContact O-N 2.95Å; C704-E707 PolarHBondContact O-N 2.89Å; C704-Q708 WeakPolarHBondContact O-CB 3.31Å; C704-Q708 PolarHBondContact O-N 3.4Å; C704-C855 HydrophobicContact CB-CB 3.79Å; C704-C855 WeakPolarHBondContact CB-SG 3.45Å; C704-C855 PolarHBondContact O-SG 2.76Å; C704-C855 VanDerWaalsContact SG-CA 3.51Å; C704-C855 WeakPolarHBondContact SG-CB 3.4Å; C704-C855 CovalentContact SG-SG 2.04Å; C704-C855 PolarHBondContact SG-SG 3.01Å
705	I	96.3	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-42.9	177.2	-65.3	-71	0	0	0	111.2	R701 T702 T703 Q708 Y709 N730 I731 C855 V857	R701-I705 PolarHBondContact O-N 2.98Å; T702-I705 WeakPolarHBondContact O-CB 3.42Å; T702-I705 PolarHBondContact O-N 3.41Å; T703-I705 PolarHBondContact O-N 2.84Å; I705-Q708 PolarHBondContact O-N 3.42Å; I705-Y709 HydrophobicContact CG2-CD2 4.18Å; I705-Y709 HydrophobicContact CG2-CE2 4.39Å; I705-Y709 WeakPolarHBondContact O-CD2 3.42Å; I705-Y709 PolarHBondContact O-N 3.42Å; I705-N730 HydrophobicContact CG2-CB 3.43Å; I705-N730 VanDerWaalsContact CG2-CB 3.43Å; I705-I731 HydrophobicContact CG1-CG1 4.46Å; I705-I731 HydrophobicContact CG2-CG1 4.43Å; I705-C855 HydrophobicContact CD1-CB 3.59Å; I705-C855 HydrophobicContact CG1-CB 4.07Å; I705-V857 HydrophobicContact CG1-CG2 3.97Å
706	I	96.2	Very high	94.5	Very high	30 Å²	30	55.8 Å²	55.8	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-47.1	175.7	-66.6	166.6	0	0	0	110.9	T702 T703 C704 N710 R724 Q727	T702-I706 WeakPolarHBondContact O-CG1 3.36Å; T702-I706 PolarHBondContact O-N 3.28Å; T703-I706 PolarHBondContact O-N 3.02Å; C704-I706 VanDerWaalsContact C-N 3.34Å; C704-I706 PolarHBondContact O-N 2.95Å; I706-N710 WeakPolarHBondContact CG2-ND2 3.41Å; I706-N710 WeakPolarHBondContact O-CB 3.28Å; I706-N710 PolarHBondContact O-N 3.29Å; I706-N710 PolarHBondContact O-ND2 2.67Å; I706-N710 VanDerWaalsContact O-ND2 3.1Å; I706-R724 HydrophobicContact CG2-CB 4.31Å; I706-Q727 HydrophobicContact CG1-CB 3.97Å
707	E	95.7	Very high	94.2	Very high	109 Å²	109	53.2 Å²	53.2	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-43	179	-72.9	-174.9	174.2	0	0	112.6	T703 C704 N711	T703-E707 HydrophobicContact CG2-CG 4.44Å; T703-E707 WeakPolarHBondContact O-CG 3.46Å; T703-E707 PolarHBondContact O-N 3.41Å; C704-E707 PolarHBondContact O-N 2.89Å; E707-N711 PolarHBondContact O-N 2.85Å
708	Q	95.6	Very high	93.9	Very high	9 Å²	9	55 Å²	55	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-54.7	176	-179.5	-173.5	6	0	0	110.7	C704 I705 N711 Y712 G825 N829	C704-Q708 WeakPolarHBondContact O-CB 3.31Å; C704-Q708 PolarHBondContact O-N 3.4Å; I705-Q708 PolarHBondContact O-N 3.42Å; Q708-N711 WeakPolarHBondContact O-CB 3.39Å; Q708-N711 PolarHBondContact O-N 3.27Å; Q708-N711 VanDerWaalsContact O-N 3.11Å; Q708-Y712 HydrophobicContact CG-CE2 4.16Å; Q708-Y712 PolarHBondContact NE2-OH 2.86Å; Q708-G825 PolarHBondContact NE2-O 2.72Å; Q708-N829 PolarHBondContact NE2-ND2 3.03Å; Q708-N829 PolarHBondContact NE2-OD1 2.82Å; Q708-N829 PolarHBondContact OE1-ND2 3.45Å
709	Y	96	Very high	93.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-75.6	-30.6	-174.6	-77.1	-105.2	0	0	0	112.8	I705 N711 Y712 N730 S817 F821	I705-Y709 HydrophobicContact CG2-CD2 4.18Å; I705-Y709 HydrophobicContact CG2-CE2 4.39Å; I705-Y709 WeakPolarHBondContact O-CD2 3.42Å; I705-Y709 PolarHBondContact O-N 3.42Å; Y709-N711 PolarHBondContact O-N 3.48Å; Y709-N711 VanDerWaalsContact O-N 3.08Å; Y709-Y712 AromaticContact CD1-CD2 3.76Å; Y709-Y712 HydrophobicContact CD1-CD2 3.76Å; Y709-Y712 AromaticContact CD1-CE2 3.91Å; Y709-Y712 HydrophobicContact CD1-CE2 3.91Å; Y709-Y712 HydrophobicContact CD2-CE2 4.23Å; Y709-Y712 HydrophobicContact CE1-CD2 4.29Å; Y709-Y712 HydrophobicContact CE1-CE2 4.1Å; Y709-Y712 HydrophobicContact CE2-CE2 4.39Å; Y709-Y712 AromaticContact CG-CD2 3.98Å; Y709-Y712 HydrophobicContact CG-CD2 3.98Å; Y709-Y712 HydrophobicContact CG-CE2 4.01Å; Y709-Y712 PolarHBondContact O-N 2.92Å; Y709-N730 WeakPolarHBondContact CD1-ND2 3.33Å; Y709-N730 WeakPolarHBondContact CD1-OD1 3.07Å; Y709-N730 HydrophobicContact CD2-CB 4.17Å; Y709-N730 HydrophobicContact CE1-CB 4.3Å; Y709-N730 WeakPolarHBondContact CE1-OD1 3.32Å; Y709-N730 HydrophobicContact CE2-CB 3.85Å; Y709-N730 VanDerWaalsContact CG-ND2 3.29Å; Y709-S817 WeakPolarHBondContact CD1-OG 3.13Å; Y709-F821 HydrophobicContact CE1-CB 4.3Å; Y709-F821 WeakPolarHBondContact CE1-O 3.19Å; Y709-F821 PolarHBondContact OH-O 3.41Å
710	N	96	Very high	93.6	Very high	61 Å²	61	56.9 Å²	56.9	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-16.9	167.5	-80.3	-26.2	0	0	0	113.4	I706 K720 V721 G723	I706-N710 WeakPolarHBondContact CG2-ND2 3.41Å; I706-N710 WeakPolarHBondContact O-CB 3.28Å; I706-N710 PolarHBondContact O-N 3.29Å; I706-N710 PolarHBondContact O-ND2 2.67Å; I706-N710 VanDerWaalsContact O-ND2 3.1Å; N710-K720 WeakPolarHBondContact O-CD 3.48Å; N710-K720 PolarHBondContact O-NZ 2.95Å; N710-V721 PolarHBondContact OD1-O 2.88Å; N710-G723 PolarHBondContact OD1-N 3.49Å
711	N	94.5	Very high	93.6	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.8	175.8	-152.7	31.2	0	0	0	114.3	E707 Q708 Y709 K720	E707-N711 PolarHBondContact O-N 2.85Å; Q708-N711 WeakPolarHBondContact O-CB 3.39Å; Q708-N711 PolarHBondContact O-N 3.27Å; Q708-N711 VanDerWaalsContact O-N 3.11Å; Y709-N711 PolarHBondContact O-N 3.48Å; Y709-N711 VanDerWaalsContact O-N 3.08Å; N711-K720 PolarHBondContact OD1-NZ 3.26Å
712	Y	94.9	Very high	93.5	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.153	27%	0.272	C	S	.	.			trans	-79.8	125.8	176.1	-64.4	-46.4	0	0	0	111.8	Q708 Y709 K720 V721 F821 I824 G825	Q708-Y712 HydrophobicContact CG-CE2 4.16Å; Q708-Y712 PolarHBondContact NE2-OH 2.86Å; Y709-Y712 AromaticContact CD1-CD2 3.76Å; Y709-Y712 HydrophobicContact CD1-CD2 3.76Å; Y709-Y712 AromaticContact CD1-CE2 3.91Å; Y709-Y712 HydrophobicContact CD1-CE2 3.91Å; Y709-Y712 HydrophobicContact CD2-CE2 4.23Å; Y709-Y712 HydrophobicContact CE1-CD2 4.29Å; Y709-Y712 HydrophobicContact CE1-CE2 4.1Å; Y709-Y712 HydrophobicContact CE2-CE2 4.39Å; Y709-Y712 AromaticContact CG-CD2 3.98Å; Y709-Y712 HydrophobicContact CG-CD2 3.98Å; Y709-Y712 HydrophobicContact CG-CE2 4.01Å; Y709-Y712 PolarHBondContact O-N 2.92Å; Y712-K720 VanDerWaalsContact O-CA 3.31Å; Y712-K720 WeakPolarHBondContact O-CA 3.33Å; Y712-V721 PolarHBondContact O-N 3.32Å; Y712-F821 AromaticContact CD1-CD1 3.5Å; Y712-F821 HydrophobicContact CD1-CD1 3.5Å; Y712-F821 VanDerWaalsContact CD1-CD1 3.5Å; Y712-F821 AromaticContact CD1-CE1 3.58Å; Y712-F821 HydrophobicContact CD1-CE1 3.58Å; Y712-F821 HydrophobicContact CD1-CG 4.38Å; Y712-F821 HydrophobicContact CD2-CB 3.91Å; Y712-F821 AromaticContact CD2-CD1 3.74Å; Y712-F821 HydrophobicContact CD2-CD1 3.74Å; Y712-F821 AromaticContact CD2-CG 3.87Å; Y712-F821 HydrophobicContact CD2-CG 3.87Å; Y712-F821 HydrophobicContact CE1-CD1 4.05Å; Y712-F821 HydrophobicContact CE1-CE1 4.37Å; Y712-F821 HydrophobicContact CE2-CB 4.36Å; Y712-F821 HydrophobicContact CE2-CD1 4.28Å; Y712-F821 HydrophobicContact CG-CB 4.35Å; Y712-F821 AromaticContact CG-CD1 3.35Å; Y712-F821 HydrophobicContact CG-CD1 3.35Å; Y712-F821 HydrophobicContact CG-CD2 4.42Å; Y712-F821 AromaticContact CG-CE1 3.68Å; Y712-F821 HydrophobicContact CG-CE1 3.68Å; Y712-F821 AromaticContact CG-CG 3.79Å; Y712-F821 HydrophobicContact CG-CG 3.79Å; Y712-F821 HydrophobicContact CG-CZ 4.35Å; Y712-I824 HydrophobicContact CE1-CG2 4.43Å; Y712-G825 WeakPolarHBondContact OH-CA 3.11Å
713	T	95.4	Very high	93.5	Very high	55 Å²	55	51 Å²	51	34%	0.337	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.5	173.2	-59	0	0	0	0	109.1	F821	T713-F821 WeakPolarHBondContact O-CZ 3.46Å
714	V	91.1	Very high	93.5	Very high	10 Å²	10	53.7 Å²	53.7	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.1	-179.3	-170.8	0	0	0	0	110.6	I717 N718 I719 V721 V811 P818 F821	V714-I717 HydrophobicContact CB-CD1 3.89Å; V714-I717 HydrophobicContact CB-CG1 3.79Å; V714-I717 HydrophobicContact CG1-CD1 3.97Å; V714-I717 HydrophobicContact CG1-CG1 3.99Å; V714-I717 HydrophobicContact CG2-CD1 4.47Å; V714-N718 PolarHBondContact O-N 2.71Å; V714-I719 PolarHBondContact N-O 3.2Å; V714-V721 HydrophobicContact CG2-CG2 3.98Å; V714-V811 HydrophobicContact CG2-CG2 3.57Å; V714-P818 HydrophobicContact CG2-CB 4.44Å; V714-P818 HydrophobicContact CG2-CG 3.73Å; V714-F821 HydrophobicContact CG2-CE2 4.18Å
715	P	86.2	Confident	93.3	Very high	64 Å²	64	53.4 Å²	53.4	42%	0.416	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	161	172.1	-26.7	35.9	0	0	0	113.4	I717 M820	P715-I717 PolarHBondContact O-N 3.47Å; P715-M820 VanDerWaalsContact CD-SD 3.56Å; P715-M820 HydrophobicContact CG-CE 4.09Å; P715-M820 HydrophobicContact CG-SD 3.8Å
716	D	83.9	Confident	93.2	Very high	138 Å²	138	53.6 Å²	53.6	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-29.4	-178.3	-53.5	-31.3	0	0	0	117.1	P804	D716-P804 HydrophobicContact CB-CB 4.49Å; D716-P804 HydrophobicContact CB-CG 4.02Å
717	I	88.8	Confident	93.2	Very high	35 Å²	35	53 Å²	53	18%	0.179	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-21	178.4	64.7	175.5	0	0	0	113.8	V714 P715 I719 P804 L808 V811	V714-I717 HydrophobicContact CB-CD1 3.89Å; V714-I717 HydrophobicContact CB-CG1 3.79Å; V714-I717 HydrophobicContact CG1-CD1 3.97Å; V714-I717 HydrophobicContact CG1-CG1 3.99Å; V714-I717 HydrophobicContact CG2-CD1 4.47Å; P715-I717 PolarHBondContact O-N 3.47Å; I717-I719 VanDerWaalsContact C-N 3.3Å; I717-I719 HydrophobicContact CB-CD1 4.47Å; I717-I719 HydrophobicContact CD1-CB 4.18Å; I717-I719 HydrophobicContact CD1-CD1 4.39Å; I717-I719 HydrophobicContact CG1-CB 4.23Å; I717-I719 HydrophobicContact CG1-CG1 4.49Å; I717-I719 PolarHBondContact O-N 3.48Å; I717-P804 HydrophobicContact CG2-CB 3.81Å; I717-P804 VanDerWaalsContact CG2-O 3.32Å; I717-P804 WeakPolarHBondContact CG2-O 3.32Å; I717-L808 HydrophobicContact CD1-CB 4.41Å; I717-V811 HydrophobicContact CD1-CG2 4.22Å
718	N	90.6	Very high	93	Very high	137 Å²	137	47.8 Å²	47.8	73%	0.733	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	39.6	179.8	-167.6	58.7	0	0	0	113.9	V714	V714-N718 PolarHBondContact O-N 2.71Å
719	I	91.6	Very high	92.8	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.19	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	176.8	-64.9	170	0	0	0	108.8	V714 I717 L808 V811	V714-I719 PolarHBondContact N-O 3.2Å; I717-I719 VanDerWaalsContact C-N 3.3Å; I717-I719 HydrophobicContact CB-CD1 4.47Å; I717-I719 HydrophobicContact CD1-CB 4.18Å; I717-I719 HydrophobicContact CD1-CD1 4.39Å; I717-I719 HydrophobicContact CG1-CB 4.23Å; I717-I719 HydrophobicContact CG1-CG1 4.49Å; I717-I719 PolarHBondContact O-N 3.48Å; I719-L808 HydrophobicContact CD1-CD1 3.5Å; I719-L808 VanDerWaalsContact CD1-CD1 3.5Å; I719-V811 HydrophobicContact CG2-CG1 3.8Å
720	K	94.5	Very high	92.8	Very high	105 Å²	105	47.5 Å²	47.5	46%	0.457	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.5	177	-80.2	174.9	160.1	-108.2	0	111.9	N710 N711 Y712 V811	N710-K720 WeakPolarHBondContact O-CD 3.48Å; N710-K720 PolarHBondContact O-NZ 2.95Å; N711-K720 PolarHBondContact OD1-NZ 3.26Å; Y712-K720 VanDerWaalsContact O-CA 3.31Å; Y712-K720 WeakPolarHBondContact O-CA 3.33Å; K720-V811 WeakPolarHBondContact O-CG1 3.49Å
721	V	94.9	Very high	92.8	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	23%	0.228	C	C	.	.			trans	-67.4	136.2	170.1	-178.3	0	0	0	0	109	N710 Y712 V714 G723 T726 P818 F821	N710-V721 PolarHBondContact OD1-O 2.88Å; Y712-V721 PolarHBondContact O-N 3.32Å; V714-V721 HydrophobicContact CG2-CG2 3.98Å; V721-G723 PolarHBondContact O-N 3.42Å; V721-T726 HydrophobicContact CG1-CG2 3.94Å; V721-P818 HydrophobicContact CG2-CG 3.91Å; V721-F821 HydrophobicContact CG2-CD2 4.03Å; V721-F821 HydrophobicContact CG2-CE2 4.35Å
722	N	94.3	Very high	92.7	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	20%	0.201	S	C	.	.			trans	-79.5	96.1	170.3	-177.8	-13.8	0	0	0	109.1	D361 R724 L725 T726	D361-N722 PolarHBondContact OD2-ND2 2.72Å; N722-R724 PolarHBondContact O-N 3.48Å; N722-R724 WeakPolarHBondContact OD1-CA 3.4Å; N722-R724 WeakPolarHBondContact OD1-CB 3.49Å; N722-R724 PolarHBondContact OD1-N 3.06Å; N722-L725 HydrophobicContact CB-CB 3.88Å; N722-L725 PolarHBondContact O-N 3.18Å; N722-L725 PolarHBondContact OD1-N 2.83Å; N722-T726 WeakPolarHBondContact O-CG2 3.27Å; N722-T726 PolarHBondContact O-N 3.1Å; N722-T726 PolarHBondContact O-OG1 3.39Å
723	G	96.2	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	179.2	0	0	0	0	0	113.9	N710 V721 Q727	N710-G723 PolarHBondContact OD1-N 3.49Å; V721-G723 PolarHBondContact O-N 3.42Å; G723-Q727 WeakPolarHBondContact O-CA 3.35Å; G723-Q727 WeakPolarHBondContact O-CB 3.49Å; G723-Q727 PolarHBondContact O-N 3.05Å
724	R	95.6	Very high	92.5	Very high	112 Å²	112	36 Å²	36	42%	0.423	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-38.2	176.3	-175.5	-173.1	168.2	150.3	3.1	112.5	D361 R364 I706 N722 T726 Q727	D361-R724 HydrophobicContact CB-CB 4.46Å; D361-R724 HydrophobicContact CB-CG 4.14Å; D361-R724 PolarHBondContact O-NE 3.07Å; D361-R724 PolarHBondContact O-NH2 3.46Å; R364-R724 WeakPolarHBondContact CD-O 3.43Å; I706-R724 HydrophobicContact CG2-CB 4.31Å; N722-R724 PolarHBondContact O-N 3.48Å; N722-R724 WeakPolarHBondContact OD1-CA 3.4Å; N722-R724 WeakPolarHBondContact OD1-CB 3.49Å; N722-R724 PolarHBondContact OD1-N 3.06Å; R724-T726 VanDerWaalsContact C-N 3.33Å; R724-Q727 PolarHBondContact O-NE2 2.87Å
725	L	92	Very high	92.7	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.11	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-44.2	171	177.9	61.3	0	0	0	110.5	D360 D361 R364 N722	D360-L725 HydrophobicContact CB-CD1 4.21Å; D361-L725 HydrophobicContact CB-CB 4.08Å; R364-L725 PolarHBondContact NH1-O 2.95Å; N722-L725 HydrophobicContact CB-CB 3.88Å; N722-L725 PolarHBondContact O-N 3.18Å; N722-L725 PolarHBondContact OD1-N 2.83Å
726	T	93.6	Very high	93	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	-90	3	-171.5	63.1	0	0	0	0	115	V721 N722 R724 G728 E729 N730 P815 S817	V721-T726 HydrophobicContact CG1-CG2 3.94Å; N722-T726 WeakPolarHBondContact O-CG2 3.27Å; N722-T726 PolarHBondContact O-N 3.1Å; N722-T726 PolarHBondContact O-OG1 3.39Å; R724-T726 VanDerWaalsContact C-N 3.33Å; T726-G728 PolarHBondContact O-N 3.39Å; T726-E729 PolarHBondContact O-N 3.12Å; T726-N730 PolarHBondContact O-N 3.37Å; T726-N730 VanDerWaalsContact O-N 3.09Å; T726-N730 PolarHBondContact O-ND2 3.02Å; T726-N730 PolarHBondContact O-OD1 3.23Å; T726-N730 PolarHBondContact OG1-ND2 3.34Å; T726-P815 WeakPolarHBondContact CA-O 3.03Å; T726-P815 WeakPolarHBondContact CB-O 3.46Å; T726-P815 WeakPolarHBondContact CG2-O 3.5Å; T726-S817 WeakPolarHBondContact CB-OG 3.48Å; T726-S817 PolarHBondContact OG1-OG 3.19Å
727	Q	95.3	Very high	93.5	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-41.6	-167.7	79.4	-169.2	-85.6	0	0	113.8	D675 I706 G723 R724 N730 I731	D675-Q727 HydrophobicContact CB-CG 4.2Å; D675-Q727 VanDerWaalsContact CG-CD 3.43Å; D675-Q727 VanDerWaalsContact CG-CG 3.41Å; D675-Q727 VanDerWaalsContact OD1-CG 3.28Å; D675-Q727 WeakPolarHBondContact OD1-CG 3.35Å; D675-Q727 VanDerWaalsContact OD2-CD 3.23Å; D675-Q727 PolarHBondContact OD2-OE1 3Å; I706-Q727 HydrophobicContact CG1-CB 3.97Å; G723-Q727 WeakPolarHBondContact O-CA 3.35Å; G723-Q727 WeakPolarHBondContact O-CB 3.49Å; G723-Q727 PolarHBondContact O-N 3.05Å; R724-Q727 PolarHBondContact O-NE2 2.87Å; Q727-N730 PolarHBondContact O-N 3.26Å; Q727-I731 HydrophobicContact CG-CD1 4.49Å; Q727-I731 VanDerWaalsContact O-CD1 3.29Å; Q727-I731 WeakPolarHBondContact O-CD1 3.2Å; Q727-I731 WeakPolarHBondContact O-CG1 3.37Å; Q727-I731 PolarHBondContact O-N 2.88Å
728	G	92.8	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-52.4	179.8	0	0	0	0	0	112	T726 N730 I731 A732	T726-G728 PolarHBondContact O-N 3.39Å; G728-N730 VanDerWaalsContact C-N 3.29Å; G728-N730 PolarHBondContact O-N 2.95Å; G728-I731 PolarHBondContact O-N 2.78Å; G728-I731 VanDerWaalsContact O-N 3.17Å; G728-A732 VanDerWaalsContact O-CB 3.31Å; G728-A732 WeakPolarHBondContact O-CB 3.45Å; G728-A732 PolarHBondContact O-N 2.75Å
729	E	91.6	Very high	93.9	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-56	-44.1	176.7	-45.2	-45.2	124.2	0	0	112.3	L634 H667 H671 T726 A732 D733 P815 H816	L634-E729 WeakPolarHBondContact CD1-OE1 3.22Å; L634-E729 WeakPolarHBondContact CD1-OE2 3.46Å; H667-E729 IonicContact CE1-OE2 3.67Å; H667-E729 IonicContact NE2-OE2 2.76Å; H671-E729 IonicContact CE1-OE1 3.36Å; H671-E729 PolarHBondContact CE1-OE1 3.17Å; H671-E729 IonicContact CE1-OE2 2.68Å; H671-E729 IonicContact NE2-OE2 3.2Å; T726-E729 PolarHBondContact O-N 3.12Å; E729-A732 PolarHBondContact O-N 3.17Å; E729-D733 WeakPolarHBondContact O-CB 3.5Å; E729-D733 PolarHBondContact O-N 3.08Å; E729-P815 HydrophobicContact CG-CB 3.91Å; E729-P815 WeakPolarHBondContact CG-O 3.34Å; E729-H816 IonicContact OE2-CD2 3.28Å; E729-H816 PolarHBondContact OE2-CD2 2.86Å; E729-H816 IonicContact OE2-NE2 3.25Å; E729-H816 PolarHBondContact OE2-NE2 3.36Å
730	N	94.4	Very high	94	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.9	-40.9	-179.1	-58.4	-27.5	0	0	0	110.8	I705 Y709 T726 Q727 G728 N734 S817	I705-N730 HydrophobicContact CG2-CB 3.43Å; I705-N730 VanDerWaalsContact CG2-CB 3.43Å; Y709-N730 WeakPolarHBondContact CD1-ND2 3.33Å; Y709-N730 WeakPolarHBondContact CD1-OD1 3.07Å; Y709-N730 HydrophobicContact CD2-CB 4.17Å; Y709-N730 HydrophobicContact CE1-CB 4.3Å; Y709-N730 WeakPolarHBondContact CE1-OD1 3.32Å; Y709-N730 HydrophobicContact CE2-CB 3.85Å; Y709-N730 VanDerWaalsContact CG-ND2 3.29Å; T726-N730 PolarHBondContact O-N 3.37Å; T726-N730 VanDerWaalsContact O-N 3.09Å; T726-N730 PolarHBondContact O-ND2 3.02Å; T726-N730 PolarHBondContact O-OD1 3.23Å; T726-N730 PolarHBondContact OG1-ND2 3.34Å; Q727-N730 PolarHBondContact O-N 3.26Å; G728-N730 VanDerWaalsContact C-N 3.29Å; G728-N730 PolarHBondContact O-N 2.95Å; N730-N734 WeakPolarHBondContact O-CB 3.45Å; N730-N734 PolarHBondContact O-N 2.86Å; N730-N734 VanDerWaalsContact O-N 3.17Å; N730-N734 PolarHBondContact O-ND2 3.44Å; N730-S817 WeakPolarHBondContact OD1-CB 3.38Å; N730-S817 PolarHBondContact OD1-OG 2.91Å
731	I	95.9	Very high	94	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-48.6	174.7	-65.4	157.6	0	0	0	109.6	T670 D674 D675 T702 I705 Q727 G728 N734 A735 V857	T670-I731 HydrophobicContact CG2-CG2 3.9Å; D674-I731 HydrophobicContact CB-CB 4.37Å; D674-I731 HydrophobicContact CB-CD1 4.46Å; D674-I731 HydrophobicContact CB-CG2 4.25Å; D675-I731 HydrophobicContact CB-CD1 4.49Å; T702-I731 HydrophobicContact CG2-CD1 3.55Å; T702-I731 HydrophobicContact CG2-CG1 4.31Å; I705-I731 HydrophobicContact CG1-CG1 4.46Å; I705-I731 HydrophobicContact CG2-CG1 4.43Å; Q727-I731 HydrophobicContact CG-CD1 4.49Å; Q727-I731 VanDerWaalsContact O-CD1 3.29Å; Q727-I731 WeakPolarHBondContact O-CD1 3.2Å; Q727-I731 WeakPolarHBondContact O-CG1 3.37Å; Q727-I731 PolarHBondContact O-N 2.88Å; G728-I731 PolarHBondContact O-N 2.78Å; G728-I731 VanDerWaalsContact O-N 3.17Å; I731-N734 PolarHBondContact O-N 3.01Å; I731-A735 PolarHBondContact O-N 2.77Å; I731-V857 HydrophobicContact CG1-CG2 4.27Å; I731-V857 HydrophobicContact CG2-CB 4.35Å; I731-V857 HydrophobicContact CG2-CG1 4.37Å; I731-V857 HydrophobicContact CG2-CG2 4.41Å
732	A	92.3	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-45.6	179.1	0	0	0	0	0	112.4	H667 T670 G728 E729 N734 G736	H667-A732 WeakPolarHBondContact CA-O 3.45Å; H667-A732 HydrophobicContact CB-CB 4.42Å; H667-A732 VanDerWaalsContact CE1-CB 3.46Å; H667-A732 WeakPolarHBondContact CE1-CB 3.36Å; H667-A732 WeakPolarHBondContact ND1-CB 3.26Å; H667-A732 WeakPolarHBondContact O-CB 3.44Å; T670-A732 HydrophobicContact CG2-CB 4.39Å; G728-A732 VanDerWaalsContact O-CB 3.31Å; G728-A732 WeakPolarHBondContact O-CB 3.45Å; G728-A732 PolarHBondContact O-N 2.75Å; E729-A732 PolarHBondContact O-N 3.17Å; A732-N734 PolarHBondContact O-N 3.39Å; A732-G736 WeakPolarHBondContact O-CA 3.22Å; A732-G736 PolarHBondContact O-N 3.47Å
733	D	92.6	Very high	93.7	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.032	6%	0.062	C	C	.	.	H	α-helix	trans	-59.4	-47.9	176.1	-71.6	-32.4	0	0	0	112.6	H667 E729 A735 G736 V737 R822 V826	H667-D733 IonicContact CE1-OD1 3.28Å; H667-D733 PolarHBondContact CE1-OD1 3.3Å; H667-D733 PolarHBondContact ND1-N 3.03Å; H667-D733 IonicContact ND1-OD1 2.76Å; H667-D733 PolarHBondContact ND1-OD1 2.95Å; H667-D733 VanDerWaalsContact ND1-OD1 3.08Å; E729-D733 WeakPolarHBondContact O-CB 3.5Å; E729-D733 PolarHBondContact O-N 3.08Å; D733-A735 PolarHBondContact O-N 2.96Å; D733-G736 PolarHBondContact O-N 3.42Å; D733-V737 WeakPolarHBondContact O-CG2 3.36Å; D733-V737 PolarHBondContact O-N 3.04Å; D733-V737 VanDerWaalsContact O-N 3.12Å; D733-R822 IonicContact OD1-CZ 2.73Å; D733-R822 IonicContact OD1-NE 3.21Å; D733-R822 PolarHBondContact OD1-NE 3.44Å; D733-R822 IonicContact OD1-NH2 2.7Å; D733-R822 PolarHBondContact OD1-NH2 3.34Å; D733-R822 WeakPolarHBondContact OD2-CD 3.29Å; D733-R822 VanDerWaalsContact OD2-CG 3.25Å; D733-R822 WeakPolarHBondContact OD2-CG 3.27Å; D733-R822 IonicContact OD2-CZ 3.49Å; D733-R822 IonicContact OD2-NE 3.9Å; D733-R822 PolarHBondContact OD2-NE 3.37Å; D733-R822 IonicContact OD2-NH2 2.73Å; D733-V826 HydrophobicContact CB-CG2 3.47Å; D733-V826 VanDerWaalsContact CB-CG2 3.47Å
734	N	95.3	Very high	93.4	Very high	13 Å²	13	14.5 Å²	14.5	7%	0.07	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-44.6	-172.7	-87.7	-92.6	0	0	0	111.4	N730 I731 A732 K738 V826 N829	N730-N734 WeakPolarHBondContact O-CB 3.45Å; N730-N734 PolarHBondContact O-N 2.86Å; N730-N734 VanDerWaalsContact O-N 3.17Å; N730-N734 PolarHBondContact O-ND2 3.44Å; I731-N734 PolarHBondContact O-N 3.01Å; A732-N734 PolarHBondContact O-N 3.39Å; N734-K738 WeakPolarHBondContact O-CB 3.36Å; N734-V826 WeakPolarHBondContact OD1-CA 3.3Å; N734-N829 VanDerWaalsContact OD1-CB 3.31Å; N734-N829 WeakPolarHBondContact OD1-CB 3.4Å; N734-N829 PolarHBondContact OD1-ND2 3.28Å
735	A	94.5	Very high	92.9	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-72.2	-41.7	174.9	0	0	0	0	0	111.9	T670 I731 D733 V737 K738 E739 W858	T670-A735 HydrophobicContact CG2-CB 3.56Å; T670-A735 WeakPolarHBondContact OG1-CB 3.49Å; I731-A735 PolarHBondContact O-N 2.77Å; D733-A735 PolarHBondContact O-N 2.96Å; A735-V737 PolarHBondContact O-N 3.31Å; A735-K738 CarbonylContact O-C 3.31Å; A735-K738 WeakPolarHBondContact O-CA 3.32Å; A735-K738 VanDerWaalsContact O-CB 3.3Å; A735-K738 WeakPolarHBondContact O-CB 3.23Å; A735-K738 PolarHBondContact O-N 2.84Å; A735-E739 WeakPolarHBondContact O-CG 3.35Å; A735-E739 PolarHBondContact O-N 3.46Å; A735-W858 HydrophobicContact CB-CB 3.76Å; A735-W858 HydrophobicContact CB-CG 4.37Å
736	G	92.4	Very high	92.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-41.7	-174.4	0	0	0	0	0	114.1	H667 A732 D733 K738 A740	H667-G736 VanDerWaalsContact N-CA 3.26Å; A732-G736 WeakPolarHBondContact O-CA 3.22Å; A732-G736 PolarHBondContact O-N 3.47Å; D733-G736 PolarHBondContact O-N 3.42Å; G736-K738 VanDerWaalsContact C-N 3.34Å; G736-A740 VanDerWaalsContact O-CB 3.23Å; G736-A740 WeakPolarHBondContact O-CB 3.47Å; G736-A740 PolarHBondContact O-N 2.94Å
737	V	93.4	Very high	91.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-38.2	172.8	178.9	0	0	0	0	111.3	A663 D733 A735 Y741 F775 F776 Y779 V826 L827 L830	A663-V737 HydrophobicContact CB-CG2 4.08Å; D733-V737 WeakPolarHBondContact O-CG2 3.36Å; D733-V737 PolarHBondContact O-N 3.04Å; D733-V737 VanDerWaalsContact O-N 3.12Å; A735-V737 PolarHBondContact O-N 3.31Å; V737-Y741 VanDerWaalsContact O-CB 3.3Å; V737-Y741 WeakPolarHBondContact O-CB 3.37Å; V737-Y741 PolarHBondContact O-N 3.48Å; V737-F775 HydrophobicContact CG1-CE1 3.94Å; V737-F775 HydrophobicContact CG1-CZ 4.24Å; V737-F775 WeakPolarHBondContact O-CZ 3.34Å; V737-F776 HydrophobicContact CG1-CE1 4.41Å; V737-Y779 HydrophobicContact CG2-CD1 4.06Å; V737-Y779 HydrophobicContact CG2-CD2 3.58Å; V737-Y779 HydrophobicContact CG2-CE1 3.8Å; V737-Y779 HydrophobicContact CG2-CE2 3.28Å; V737-Y779 HydrophobicContact CG2-CG 3.95Å; V737-Y779 VanDerWaalsContact CG2-CZ 3.4Å; V737-V826 HydrophobicContact CB-CG1 3.91Å; V737-V826 HydrophobicContact CG1-CG1 4.32Å; V737-V826 HydrophobicContact CG2-CG1 3.82Å; V737-L827 HydrophobicContact CG1-CD2 4.44Å; V737-L830 HydrophobicContact CB-CD1 4.26Å; V737-L830 HydrophobicContact CG1-CD1 3.66Å
738	K	94.6	Very high	91	Very high	34 Å²	34	19.8 Å²	19.8	15%	0.148	10%	0.104	C	C	.	.	H	α-helix	trans	-67.5	-47.9	179.7	-171.5	-178.1	178	-173	0	112	L519 N734 A735 G736 Y741 L742 L830 S856 W858	L519-K738 HydrophobicContact CD1-CD 3.9Å; L519-K738 HydrophobicContact CD1-CG 4.14Å; N734-K738 WeakPolarHBondContact O-CB 3.36Å; A735-K738 CarbonylContact O-C 3.31Å; A735-K738 WeakPolarHBondContact O-CA 3.32Å; A735-K738 VanDerWaalsContact O-CB 3.3Å; A735-K738 WeakPolarHBondContact O-CB 3.23Å; A735-K738 PolarHBondContact O-N 2.84Å; G736-K738 VanDerWaalsContact C-N 3.34Å; K738-Y741 PolarHBondContact O-N 3.07Å; K738-L742 HydrophobicContact CG-CD1 4.25Å; K738-L742 WeakPolarHBondContact O-CB 3.31Å; K738-L742 VanDerWaalsContact O-CG 3.23Å; K738-L742 WeakPolarHBondContact O-CG 3.41Å; K738-L742 PolarHBondContact O-N 2.81Å; K738-L830 HydrophobicContact CB-CD2 3.94Å; K738-L830 HydrophobicContact CD-CD2 4.27Å; K738-L830 HydrophobicContact CG-CD2 4.09Å; K738-S856 PolarHBondContact NZ-OG 3.11Å; K738-W858 WeakPolarHBondContact CD-O 3.42Å; K738-W858 PolarHBondContact NZ-O 3.17Å; K738-W858 PolarHBondContact NZ-OXT 3.29Å
739	E	94.3	Very high	90.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-48.7	172.6	-69.6	171.5	-131.7	0	0	111.2	I512 A515 F516 L519 G666 T670 A735 Y741 L742 A743	I512-E739 HydrophobicContact CG2-CB 3.92Å; A515-E739 WeakPolarHBondContact CB-O 3.28Å; F516-E739 HydrophobicContact CB-CG 4.15Å; F516-E739 HydrophobicContact CD2-CG 4.33Å; L519-E739 HydrophobicContact CD1-CG 4.39Å; G666-E739 WeakPolarHBondContact CA-OE2 3.18Å; T670-E739 PolarHBondContact OG1-OE1 2.84Å; A735-E739 WeakPolarHBondContact O-CG 3.35Å; A735-E739 PolarHBondContact O-N 3.46Å; E739-Y741 PolarHBondContact O-N 3.34Å; E739-L742 PolarHBondContact O-N 2.83Å; E739-A743 VanDerWaalsContact O-CB 3.26Å; E739-A743 WeakPolarHBondContact O-CB 3.42Å; E739-A743 PolarHBondContact O-N 3.48Å
740	A	92.8	Very high	89.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-37	-179.7	0	0	0	0	0	112.7	Y658 G662 A663 G736 S744 F775	Y658-A740 WeakPolarHBondContact CD1-O 3.39Å; G662-A740 VanDerWaalsContact C-CB 3.43Å; A663-A740 HydrophobicContact CB-CB 4.32Å; G736-A740 VanDerWaalsContact O-CB 3.23Å; G736-A740 WeakPolarHBondContact O-CB 3.47Å; G736-A740 PolarHBondContact O-N 2.94Å; A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.3Å; A740-S744 PolarHBondContact O-N 2.84Å; A740-F775 HydrophobicContact CB-CE2 4.03Å; A740-F775 HydrophobicContact CB-CZ 4.03Å
741	Y	94.9	Very high	88.9	Confident	22 Å²	22	32.9 Å²	32.9	9%	0.086	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-50.2	174.1	-177.1	-94.8	0	0	0	111.1	V737 K738 E739 A743 S744 D745 D772 F775 F776 E832	V737-Y741 VanDerWaalsContact O-CB 3.3Å; V737-Y741 WeakPolarHBondContact O-CB 3.37Å; V737-Y741 PolarHBondContact O-N 3.48Å; K738-Y741 PolarHBondContact O-N 3.07Å; E739-Y741 PolarHBondContact O-N 3.34Å; Y741-A743 VanDerWaalsContact C-N 3.32Å; Y741-A743 PolarHBondContact O-N 3.39Å; Y741-S744 WeakPolarHBondContact O-CB 3.5Å; Y741-S744 PolarHBondContact O-N 3.4Å; Y741-S744 VanDerWaalsContact O-N 3.12Å; Y741-D745 PolarHBondContact O-N 2.89Å; Y741-D772 HydrophobicContact CE2-CB 4.3Å; Y741-D772 PolarHBondContact OH-OD2 3.12Å; Y741-F775 AromaticContact CD2-CD1 3.65Å; Y741-F775 HydrophobicContact CD2-CD1 3.65Å; Y741-F775 AromaticContact CD2-CE1 3.76Å; Y741-F775 HydrophobicContact CD2-CE1 3.76Å; Y741-F775 HydrophobicContact CD2-CG 4.15Å; Y741-F775 HydrophobicContact CD2-CZ 4.31Å; Y741-F775 HydrophobicContact CE2-CD1 4.47Å; Y741-F775 HydrophobicContact CG-CE1 4.26Å; Y741-F775 VanDerWaalsContact N-CZ 3.34Å; Y741-F776 HydrophobicContact CD2-CE1 4.12Å; Y741-F776 AromaticContact CD2-CE2 3.83Å; Y741-F776 HydrophobicContact CD2-CE2 3.83Å; Y741-F776 AromaticContact CD2-CZ 3.45Å; Y741-F776 HydrophobicContact CD2-CZ 3.45Å; Y741-F776 VanDerWaalsContact CD2-CZ 3.45Å; Y741-F776 AromaticContact CE2-CE2 3.49Å; Y741-F776 HydrophobicContact CE2-CE2 3.49Å; Y741-F776 VanDerWaalsContact CE2-CE2 3.49Å; Y741-F776 AromaticContact CE2-CZ 3.53Å; Y741-F776 HydrophobicContact CE2-CZ 3.53Å; Y741-F776 HydrophobicContact CG-CZ 4.11Å; Y741-E832 HydrophobicContact CD1-CB 4.08Å; Y741-E832 HydrophobicContact CD1-CG 4Å; Y741-E832 HydrophobicContact CE1-CB 3.75Å; Y741-E832 HydrophobicContact CE1-CG 3.75Å
742	L	92.5	Very high	87.9	Confident	49 Å²	49	37.5 Å²	37.5	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-38.8	178.5	-70.1	169.2	0	0	0	112.2	A515 L519 K738 E739 F746	A515-L742 HydrophobicContact CB-CB 4.27Å; L519-L742 HydrophobicContact CD1-CD1 4.2Å; K738-L742 HydrophobicContact CG-CD1 4.25Å; K738-L742 WeakPolarHBondContact O-CB 3.31Å; K738-L742 VanDerWaalsContact O-CG 3.23Å; K738-L742 WeakPolarHBondContact O-CG 3.41Å; K738-L742 PolarHBondContact O-N 2.81Å; E739-L742 PolarHBondContact O-N 2.83Å; L742-F746 VanDerWaalsContact O-CB 3.31Å; L742-F746 WeakPolarHBondContact O-CB 3.42Å; L742-F746 PolarHBondContact O-N 3.44Å
743	A	91	Very high	87.2	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-36	175	0	0	0	0	0	112.3	I512 A515 Y658 E739 Y741 L747	I512-A743 HydrophobicContact CG1-CB 3.84Å; A515-A743 HydrophobicContact CB-CB 3.75Å; Y658-A743 HydrophobicContact CD1-CB 4.02Å; Y658-A743 HydrophobicContact CE1-CB 3.47Å; Y658-A743 VanDerWaalsContact CE1-CB 3.47Å; E739-A743 VanDerWaalsContact O-CB 3.26Å; E739-A743 WeakPolarHBondContact O-CB 3.42Å; E739-A743 PolarHBondContact O-N 3.48Å; Y741-A743 VanDerWaalsContact C-N 3.32Å; Y741-A743 PolarHBondContact O-N 3.39Å; A743-L747 WeakPolarHBondContact O-CB 3.45Å; A743-L747 PolarHBondContact O-N 3.04Å; A743-L747 VanDerWaalsContact O-N 3.08Å
744	S	88.3	Confident	86.8	Confident	14 Å²	14	47.9 Å²	47.9	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-46.4	175.7	-169.6	0	0	0	0	112	A740 Y741 L747 A748	A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.3Å; A740-S744 PolarHBondContact O-N 2.84Å; Y741-S744 WeakPolarHBondContact O-CB 3.5Å; Y741-S744 PolarHBondContact O-N 3.4Å; Y741-S744 VanDerWaalsContact O-N 3.12Å; S744-L747 PolarHBondContact O-N 3.14Å; S744-A748 VanDerWaalsContact O-CB 3.31Å; S744-A748 WeakPolarHBondContact O-CB 3.43Å; S744-A748 PolarHBondContact O-N 3.2Å
745	D	85.7	Confident	86.1	Confident	88 Å²	88	51.4 Å²	51.4	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-47.3	177.2	178	55.1	0	0	0	111.1	Y741 L747 A748 Y749	Y741-D745 PolarHBondContact O-N 2.89Å; D745-L747 VanDerWaalsContact C-N 3.35Å; D745-L747 PolarHBondContact O-N 2.91Å; D745-A748 PolarHBondContact O-N 3.36Å; D745-Y749 WeakPolarHBondContact O-CB 3.3Å; D745-Y749 PolarHBondContact O-N 3.16Å
746	F	83	Confident	85.3	Confident	122 Å²	122	58.8 Å²	58.8	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-40.9	176.1	-177.8	-102.6	0	0	0	112.8	L742 K750	L742-F746 VanDerWaalsContact O-CB 3.31Å; L742-F746 WeakPolarHBondContact O-CB 3.42Å; L742-F746 PolarHBondContact O-N 3.44Å; F746-K750 WeakPolarHBondContact O-CB 3.01Å; F746-K750 PolarHBondContact O-N 2.63Å
747	L	80.4	Confident	84.5	Confident	21 Å²	21	60.2 Å²	60.2	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-43.1	175.5	-177.4	64.8	0	0	0	111.8	K654 Y658 A743 S744 D745 Y749 K750 N751	K654-L747 HydrophobicContact CB-CD2 4.41Å; K654-L747 HydrophobicContact CG-CD2 4.42Å; Y658-L747 HydrophobicContact CE2-CD2 3.59Å; A743-L747 WeakPolarHBondContact O-CB 3.45Å; A743-L747 PolarHBondContact O-N 3.04Å; A743-L747 VanDerWaalsContact O-N 3.08Å; S744-L747 PolarHBondContact O-N 3.14Å; D745-L747 VanDerWaalsContact C-N 3.35Å; D745-L747 PolarHBondContact O-N 2.91Å; L747-Y749 PolarHBondContact O-N 2.81Å; L747-K750 WeakPolarHBondContact O-CB 3.31Å; L747-K750 PolarHBondContact O-N 2.84Å; L747-N751 WeakPolarHBondContact O-CB 3.5Å; L747-N751 VanDerWaalsContact O-CG 3.26Å; L747-N751 PolarHBondContact O-N 3.04Å
748	A	78	Confident	83.7	Confident	35 Å²	35	66.1 Å²	66.1	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-43.2	178	0	0	0	0	0	111.3	S744 D745 N751 Y752	S744-A748 VanDerWaalsContact O-CB 3.31Å; S744-A748 WeakPolarHBondContact O-CB 3.43Å; S744-A748 PolarHBondContact O-N 3.2Å; D745-A748 PolarHBondContact O-N 3.36Å; A748-N751 PolarHBondContact O-N 3.41Å; A748-Y752 WeakPolarHBondContact O-CB 3.49Å; A748-Y752 PolarHBondContact O-N 3.03Å
749	Y	73	Confident	82.9	Confident	144 Å²	144	69.6 Å²	69.6	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-61.2	-45.6	173.1	179.2	-104.6	0	0	0	112.2	D745 L747 N751 Y752 I753	D745-Y749 WeakPolarHBondContact O-CB 3.3Å; D745-Y749 PolarHBondContact O-N 3.16Å; L747-Y749 PolarHBondContact O-N 2.81Å; Y749-N751 PolarHBondContact O-N 3.4Å; Y749-Y752 WeakPolarHBondContact O-CB 3.45Å; Y749-Y752 PolarHBondContact O-N 2.77Å; Y749-I753 HydrophobicContact CE1-CG1 4.18Å; Y749-I753 HydrophobicContact CE2-CD1 4.31Å; Y749-I753 HydrophobicContact CE2-CG1 4.25Å; Y749-I753 WeakPolarHBondContact O-CG1 3.49Å; Y749-I753 PolarHBondContact O-N 2.87Å
750	K	80.8	Confident	82.4	Confident	97 Å²	97	71 Å²	71	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-44.1	175.5	-175.8	-175.7	176.7	-174	0	111.8	F746 L747 I753 M754	F746-K750 WeakPolarHBondContact O-CB 3.01Å; F746-K750 PolarHBondContact O-N 2.63Å; L747-K750 WeakPolarHBondContact O-CB 3.31Å; L747-K750 PolarHBondContact O-N 2.84Å; K750-I753 PolarHBondContact O-N 3.06Å; K750-M754 HydrophobicContact CG-SD 4.11Å; K750-M754 WeakPolarHBondContact O-CB 3.37Å; K750-M754 WeakPolarHBondContact O-CG 3.31Å; K750-M754 PolarHBondContact O-N 2.9Å
751	N	81.1	Confident	82.2	Confident	37 Å²	37	72.9 Å²	72.9	20%	0.198	36%	0.363	C	S	.	.	H	α-helix	trans	-64.8	-42.1	177.1	-72.9	-12.6	0	0	0	111.5	L747 A748 Y749 I753 M754 N755 E760	L747-N751 WeakPolarHBondContact O-CB 3.5Å; L747-N751 VanDerWaalsContact O-CG 3.26Å; L747-N751 PolarHBondContact O-N 3.04Å; A748-N751 PolarHBondContact O-N 3.41Å; Y749-N751 PolarHBondContact O-N 3.4Å; N751-I753 PolarHBondContact O-N 3.4Å; N751-M754 PolarHBondContact O-N 3.12Å; N751-N755 VanDerWaalsContact O-CB 3.26Å; N751-N755 WeakPolarHBondContact O-CB 3.42Å; N751-N755 VanDerWaalsContact O-CG 3.26Å; N751-N755 PolarHBondContact O-N 2.88Å; N751-N755 PolarHBondContact O-ND2 3.49Å; N751-N755 VanDerWaalsContact O-ND2 3.11Å; N751-E760 PolarHBondContact ND2-OE1 2.78Å
752	Y	75.7	Confident	82	Confident	98 Å²	98	73.2 Å²	73.2	38%	0.384	36%	0.364	S	S	.	.	H	α-helix	trans	-57.5	-47.2	175.1	176.7	-92.4	0	0	0	111.8	A748 Y749 N755 G757 E759	A748-Y752 WeakPolarHBondContact O-CB 3.49Å; A748-Y752 PolarHBondContact O-N 3.03Å; Y749-Y752 WeakPolarHBondContact O-CB 3.45Å; Y749-Y752 PolarHBondContact O-N 2.77Å; Y752-N755 PolarHBondContact O-N 2.91Å; Y752-G757 WeakPolarHBondContact CE2-O 3.47Å; Y752-G757 WeakPolarHBondContact O-CA 3.46Å; Y752-G757 PolarHBondContact O-N 3.37Å; Y752-E759 HydrophobicContact CD2-CG 4.27Å; Y752-E759 HydrophobicContact CE2-CG 4.38Å
753	I	76.8	Confident	81.9	Confident	97 Å²	97	71 Å²	71	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-46.4	175.7	-63.9	-63.6	0	0	0	111.3	Y749 K750 N751 N755 N756	Y749-I753 HydrophobicContact CE1-CG1 4.18Å; Y749-I753 HydrophobicContact CE2-CD1 4.31Å; Y749-I753 HydrophobicContact CE2-CG1 4.25Å; Y749-I753 WeakPolarHBondContact O-CG1 3.49Å; Y749-I753 PolarHBondContact O-N 2.87Å; K750-I753 PolarHBondContact O-N 3.06Å; N751-I753 PolarHBondContact O-N 3.4Å; I753-N755 VanDerWaalsContact C-N 3.3Å; I753-N755 PolarHBondContact O-N 2.03Å; I753-N756 PolarHBondContact O-N 3.46Å
754	M	83.3	Confident	81.9	Confident	128 Å²	128	72.2 Å²	72.2	63%	0.631	36%	0.36	S	S	*	.	H	α-helix	trans	-65.1	-30.4	179.7	-73.6	179.2	60.6	0	0	113.4	K750 N751 N756	K750-M754 HydrophobicContact CG-SD 4.11Å; K750-M754 WeakPolarHBondContact O-CB 3.37Å; K750-M754 WeakPolarHBondContact O-CG 3.31Å; K750-M754 PolarHBondContact O-N 2.9Å; N751-M754 PolarHBondContact O-N 3.12Å; M754-N756 VanDerWaalsContact C-N 3.31Å; M754-N756 PolarHBondContact O-N 3.43Å
755	N	81.1	Confident	81.9	Confident	86 Å²	86	74.6 Å²	74.6	46%	0.46	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	19.7	-179.5	-66.8	-35.5	0	0	0	113.8	N751 Y752 I753 K758	N751-N755 VanDerWaalsContact O-CB 3.26Å; N751-N755 WeakPolarHBondContact O-CB 3.42Å; N751-N755 VanDerWaalsContact O-CG 3.26Å; N751-N755 PolarHBondContact O-N 2.88Å; N751-N755 PolarHBondContact O-ND2 3.49Å; N751-N755 VanDerWaalsContact O-ND2 3.11Å; Y752-N755 PolarHBondContact O-N 2.91Å; I753-N755 VanDerWaalsContact C-N 3.3Å; I753-N755 PolarHBondContact O-N 2.03Å; N755-K758 HydrophobicContact CB-CB 4.24Å
756	N	78.1	Confident	82.2	Confident	158 Å²	158	71 Å²	71	85%	0.845	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	42.3	-179	-56.6	-71.1	0	0	0	114	I753 M754	I753-N756 PolarHBondContact O-N 3.46Å; M754-N756 VanDerWaalsContact C-N 3.31Å; M754-N756 PolarHBondContact O-N 3.43Å
757	G	75.7	Confident	82.5	Confident	30 Å²	30	68.5 Å²	68.5	31%	0.309	36%	0.362	S	S	.	.	S	Bend	trans	82.9	22.3	175.6	0	0	0	0	0	114.9	Y752	Y752-G757 WeakPolarHBondContact CE2-O 3.47Å; Y752-G757 WeakPolarHBondContact O-CA 3.46Å; Y752-G757 PolarHBondContact O-N 3.37Å
758	K	76.8	Confident	82.9	Confident	125 Å²	125	75 Å²	75	54%	0.543	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-97.1	129.3	174.1	-67.4	-171.5	172.2	-166.8	0	111.2	N755	N755-K758 HydrophobicContact CB-CB 4.24Å
759	E	77.5	Confident	83.5	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.5	156.3	171.9	-77.2	-169.8	-142.4	0	0	112.5	P153 Y752 R762	P153-E759 HydrophobicContact CB-CB 4.39Å; Y752-E759 HydrophobicContact CD2-CG 4.27Å; Y752-E759 HydrophobicContact CE2-CG 4.38Å; E759-R762 IonicContact OE2-CZ 3.43Å; E759-R762 IonicContact OE2-NH1 2.75Å; E759-R762 PolarHBondContact OE2-NH1 3.35Å; E759-R762 IonicContact OE2-NH2 2.61Å; E759-R762 PolarHBondContact OE2-NH2 3.38Å
760	E	83.2	Confident	84.4	Confident	28 Å²	28	70.1 Å²	70.1	13%	0.131	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.3	148	168.6	-69.7	-164.6	167.4	0	0	111.7	N751 N771	N751-E760 PolarHBondContact ND2-OE1 2.78Å; E760-N771 WeakPolarHBondContact CB-ND2 3.26Å
761	P	89.3	Confident	85	Confident	40 Å²	40	66.2 Å²	66.2	26%	0.26	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63.7	150.8	-177.3	23.7	-32.7	0	0	0	113.6	S154 C156 L653	S154-P761 CarbonylContact O-C 3.48Å; S154-P761 WeakPolarHBondContact O-CA 3.39Å; S154-P761 WeakPolarHBondContact O-CB 3.47Å; C156-P761 HydrophobicContact CB-CB 4.06Å; C156-P761 HydrophobicContact CB-CG 4.19Å; L653-P761 VanDerWaalsContact CD1-O 3.26Å; L653-P761 WeakPolarHBondContact CD1-O 3.33Å; L653-P761 HydrophobicContact CD2-CB 4.5Å; L653-P761 HydrophobicContact CD2-CG 3.85Å; L653-P761 WeakPolarHBondContact CD2-O 3.31Å
762	R	91.3	Very high	85.5	Confident	30 Å²	30	67.6 Å²	67.6	11%	0.113	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-84.6	160.9	174	-61.5	-58.8	-168.5	-109.5	-9.9	112	P153 S154 C156 E759 V767 M769 N771	P153-R762 HydrophobicContact CB-CG 4.08Å; P153-R762 HydrophobicContact CG-CG 3.72Å; S154-R762 PolarHBondContact O-N 3.35Å; C156-R762 PolarHBondContact N-O 2.92Å; E759-R762 IonicContact OE2-CZ 3.43Å; E759-R762 IonicContact OE2-NH1 2.75Å; E759-R762 PolarHBondContact OE2-NH1 3.35Å; E759-R762 IonicContact OE2-NH2 2.61Å; E759-R762 PolarHBondContact OE2-NH2 3.38Å; R762-V767 HydrophobicContact CB-CG1 4.47Å; R762-M769 WeakPolarHBondContact CD-O 3.27Å; R762-M769 PolarHBondContact NE-O 3.39Å; R762-N771 VanDerWaalsContact CD-OD1 3.23Å; R762-N771 WeakPolarHBondContact CD-OD1 3.45Å; R762-N771 PolarHBondContact NH1-OD1 3.32Å
763	L	89.6	Confident	86.4	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74	142.6	172.9	-76.5	-176.6	0	0	0	112.6	C161 A165 L168 L653 I656 G765 L766 V767 I774	C161-L763 HydrophobicContact CB-CD2 4.18Å; A165-L763 HydrophobicContact CB-CB 4.16Å; A165-L763 HydrophobicContact CB-CD1 4.26Å; A165-L763 HydrophobicContact CB-CD2 4.37Å; L168-L763 HydrophobicContact CD1-CD1 3.83Å; L653-L763 HydrophobicContact CD1-CD2 3.64Å; L653-L763 HydrophobicContact CD1-CG 3.66Å; L653-L763 HydrophobicContact CG-CD2 3.88Å; L653-L763 HydrophobicContact CG-CG 4.45Å; I656-L763 HydrophobicContact CD1-CD1 4.07Å; I656-L763 HydrophobicContact CD1-CD2 3.91Å; I656-L763 HydrophobicContact CD1-CG 4.44Å; L763-G765 PolarHBondContact O-N 3.18Å; L763-L766 HydrophobicContact CB-CB 4.03Å; L763-L766 HydrophobicContact CD1-CD1 4.12Å; L763-L766 CarbonylContact O-C 2.66Å; L763-L766 PolarHBondContact O-N 3.17Å; L763-V767 VanDerWaalsContact O-CG1 3.27Å; L763-V767 WeakPolarHBondContact O-CG1 3.48Å; L763-V767 PolarHBondContact O-N 3.01Å; L763-I774 HydrophobicContact CD1-CD1 3.97Å; L763-I774 HydrophobicContact CD1-CG1 4.27Å; L763-I774 HydrophobicContact CD1-CG2 3.87Å
764	P	90.7	Very high	87.1	Confident	30 Å²	30	60.2 Å²	60.2	20%	0.195	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	134.5	174.6	27.9	-32.1	0	0	0	110.1	V155 C156 V162 A165 L766	V155-P764 HydrophobicContact CG1-CB 3.81Å; C156-P764 VanDerWaalsContact O-CD 3.32Å; C156-P764 WeakPolarHBondContact O-CD 3.33Å; V162-P764 HydrophobicContact CG2-CG 4.02Å; A165-P764 HydrophobicContact CB-CG 3.97Å; A165-P764 VanDerWaalsContact CB-O 3.24Å; A165-P764 WeakPolarHBondContact CB-O 3.32Å; P764-L766 PolarHBondContact O-N 3.22Å; P764-L766 VanDerWaalsContact O-N 3.13Å
765	G	89.4	Confident	87.6	Confident	63 Å²	63	54.1 Å²	54.1	65%	0.649	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-16.1	-175.9	0	0	0	0	0	115.6	L763	L763-G765 PolarHBondContact O-N 3.18Å
766	L	90.7	Very high	88.2	Confident	14 Å²	14	50 Å²	50	7%	0.073	28%	0.283	C	S	.	.			trans	-115.2	25.3	174.3	-68.1	173.8	0	0	0	112.3	L168 L169 I172 L763 P764 N768 M769 I774	L168-L766 HydrophobicContact CB-CD1 4Å; L168-L766 HydrophobicContact CD1-CD1 4.12Å; L169-L766 HydrophobicContact CD1-CG 4.36Å; L169-L766 HydrophobicContact CD2-CD2 3.53Å; L169-L766 HydrophobicContact CD2-CG 4Å; L169-L766 HydrophobicContact CG-CD1 4.25Å; L169-L766 HydrophobicContact CG-CD2 4.03Å; L169-L766 HydrophobicContact CG-CG 3.97Å; I172-L766 HydrophobicContact CD1-CD1 4.4Å; I172-L766 HydrophobicContact CD1-CD2 3.89Å; L763-L766 HydrophobicContact CB-CB 4.03Å; L763-L766 HydrophobicContact CD1-CD1 4.12Å; L763-L766 CarbonylContact O-C 2.66Å; L763-L766 PolarHBondContact O-N 3.17Å; P764-L766 PolarHBondContact O-N 3.22Å; P764-L766 VanDerWaalsContact O-N 3.13Å; L766-N768 PolarHBondContact O-N 2.85Å; L766-M769 HydrophobicContact CD2-CE 4.28Å; L766-M769 HydrophobicContact CD2-SD 3.96Å; L766-M769 PolarHBondContact O-N 2.96Å; L766-I774 HydrophobicContact CB-CD1 4.21Å; L766-I774 HydrophobicContact CD1-CD1 3.92Å
767	V	89.2	Confident	88.8	Confident	68 Å²	68	42.6 Å²	42.6	41%	0.412	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.1	-174.2	-61.2	0	0	0	0	115.2	V155 R762 L763	V155-V767 HydrophobicContact CG1-CG1 4.31Å; V155-V767 HydrophobicContact CG2-CG1 3.73Å; R762-V767 HydrophobicContact CB-CG1 4.47Å; L763-V767 VanDerWaalsContact O-CG1 3.27Å; L763-V767 WeakPolarHBondContact O-CG1 3.48Å; L763-V767 PolarHBondContact O-N 3.01Å
768	N	89.4	Confident	89.3	Confident	157 Å²	157	41.2 Å²	41.2	84%	0.84	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.3	176.9	-66.7	-2.9	0	0	0	113.4	L766	L766-N768 PolarHBondContact O-N 2.85Å
769	M	91.1	Very high	89.8	Confident	27 Å²	27	35.9 Å²	35.9	13%	0.133	21%	0.205	C	C	.	.	S	Bend	trans	-90.3	146.6	173.7	-70.2	-177.9	171.5	0	0	110.8	I172 Y185 R762 L766 Q773 I774 L777	I172-M769 HydrophobicContact CD1-CE 4.39Å; Y185-M769 VanDerWaalsContact OH-CE 3.23Å; Y185-M769 WeakPolarHBondContact OH-CE 3.12Å; R762-M769 WeakPolarHBondContact CD-O 3.27Å; R762-M769 PolarHBondContact NE-O 3.39Å; L766-M769 HydrophobicContact CD2-CE 4.28Å; L766-M769 HydrophobicContact CD2-SD 3.96Å; L766-M769 PolarHBondContact O-N 2.96Å; M769-Q773 HydrophobicContact CB-CB 4.2Å; M769-I774 HydrophobicContact CB-CD1 3.93Å; M769-I774 HydrophobicContact CB-CG1 4.17Å; M769-I774 HydrophobicContact CG-CD1 4.46Å; M769-I774 HydrophobicContact SD-CD1 3.71Å; M769-L777 HydrophobicContact CE-CD2 4.38Å; M769-L777 HydrophobicContact SD-CD2 4.01Å
770	T	92.4	Very high	90.2	Very high	51 Å²	51	30.8 Å²	30.8	31%	0.313	18%	0.182	S	C	.	.			trans	-76.1	161.6	168.8	65.6	0	0	0	0	110.9	D772 Q773 I774	T770-D772 PolarHBondContact O-N 3.07Å; T770-Q773 VanDerWaalsContact N-OE1 3.16Å; T770-Q773 PolarHBondContact O-N 3.36Å; T770-Q773 VanDerWaalsContact O-N 3.15Å; T770-Q773 WeakPolarHBondContact OG1-CG 3.4Å; T770-Q773 PolarHBondContact OG1-N 3.07Å; T770-Q773 VanDerWaalsContact OG1-N 3.17Å; T770-I774 WeakPolarHBondContact O-CG1 3.46Å; T770-I774 PolarHBondContact O-N 3.21Å
771	N	91.6	Very high	89.7	Confident	15 Å²	15	29.7 Å²	29.7	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-32.7	176.4	-71.5	26.2	0	0	0	111.1	A655 E760 R762 I774 F775	A655-N771 HydrophobicContact CB-CB 3.99Å; A655-N771 WeakPolarHBondContact CB-O 3.43Å; E760-N771 WeakPolarHBondContact CB-ND2 3.26Å; R762-N771 VanDerWaalsContact CD-OD1 3.23Å; R762-N771 WeakPolarHBondContact CD-OD1 3.45Å; R762-N771 PolarHBondContact NH1-OD1 3.32Å; N771-I774 CarbonylContact O-C 3.25Å; N771-I774 WeakPolarHBondContact O-CA 3.46Å; N771-I774 WeakPolarHBondContact O-CB 3.42Å; N771-I774 PolarHBondContact O-N 3.34Å; N771-F775 PolarHBondContact O-N 3.34Å
772	D	93.4	Very high	88.2	Confident	65 Å²	65	28.1 Å²	28.1	35%	0.348	17%	0.167	S	C	.	.	H	α-helix	trans	-61.3	-44.2	172.9	-44.8	24.2	0	0	0	111.5	Y741 T770 I774 F775 F776 T836	Y741-D772 HydrophobicContact CE2-CB 4.3Å; Y741-D772 PolarHBondContact OH-OD2 3.12Å; T770-D772 PolarHBondContact O-N 3.07Å; D772-I774 VanDerWaalsContact C-N 3.32Å; D772-I774 PolarHBondContact O-N 2.78Å; D772-F775 WeakPolarHBondContact O-CB 3.22Å; D772-F775 PolarHBondContact O-N 3.18Å; D772-F776 WeakPolarHBondContact O-CD2 3Å; D772-F776 PolarHBondContact O-N 3.44Å; D772-F776 VanDerWaalsContact O-N 3.16Å; D772-T836 HydrophobicContact CB-CG2 3.67Å
773	Q	93.9	Very high	86.1	Confident	38 Å²	38	27.7 Å²	27.7	18%	0.178	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-38.2	174.3	-72.6	171.9	-14	0	0	111.2	M769 T770 L777 T836 F837	M769-Q773 HydrophobicContact CB-CB 4.2Å; T770-Q773 VanDerWaalsContact N-OE1 3.16Å; T770-Q773 PolarHBondContact O-N 3.36Å; T770-Q773 VanDerWaalsContact O-N 3.15Å; T770-Q773 WeakPolarHBondContact OG1-CG 3.4Å; T770-Q773 PolarHBondContact OG1-N 3.07Å; T770-Q773 VanDerWaalsContact OG1-N 3.17Å; Q773-L777 WeakPolarHBondContact O-CB 3.16Å; Q773-L777 PolarHBondContact O-N 2.89Å; Q773-T836 HydrophobicContact CB-CG2 4.37Å; Q773-T836 HydrophobicContact CG-CG2 3.52Å; Q773-T836 PolarHBondContact NE2-O 3.12Å; Q773-F837 HydrophobicContact CB-CE1 4.25Å; Q773-F837 HydrophobicContact CB-CZ 3.84Å; Q773-F837 HydrophobicContact CG-CD1 4.46Å; Q773-F837 HydrophobicContact CG-CE1 3.91Å; Q773-F837 HydrophobicContact CG-CE2 4.19Å; Q773-F837 HydrophobicContact CG-CZ 3.75Å
774	I	92.4	Very high	83.9	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-34.6	172.7	-64.2	-55.5	0	0	0	111.9	L168 I656 L763 L766 M769 T770 N771 D772 L777 S778	L168-I774 HydrophobicContact CD1-CD1 4.48Å; L168-I774 HydrophobicContact CD1-CG2 4.47Å; I656-I774 HydrophobicContact CG1-CG2 3.7Å; L763-I774 HydrophobicContact CD1-CD1 3.97Å; L763-I774 HydrophobicContact CD1-CG1 4.27Å; L763-I774 HydrophobicContact CD1-CG2 3.87Å; L766-I774 HydrophobicContact CB-CD1 4.21Å; L766-I774 HydrophobicContact CD1-CD1 3.92Å; M769-I774 HydrophobicContact CB-CD1 3.93Å; M769-I774 HydrophobicContact CB-CG1 4.17Å; M769-I774 HydrophobicContact CG-CD1 4.46Å; M769-I774 HydrophobicContact SD-CD1 3.71Å; T770-I774 WeakPolarHBondContact O-CG1 3.46Å; T770-I774 PolarHBondContact O-N 3.21Å; N771-I774 CarbonylContact O-C 3.25Å; N771-I774 WeakPolarHBondContact O-CA 3.46Å; N771-I774 WeakPolarHBondContact O-CB 3.42Å; N771-I774 PolarHBondContact O-N 3.34Å; D772-I774 VanDerWaalsContact C-N 3.32Å; D772-I774 PolarHBondContact O-N 2.78Å; I774-L777 HydrophobicContact CD1-CD2 4.39Å; I774-S778 WeakPolarHBondContact O-CB 2.96Å; I774-S778 PolarHBondContact O-N 2.79Å; I774-S778 PolarHBondContact O-OG 3.43Å
775	F	93	Very high	81.2	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-56.3	174.1	169.8	-81	0	0	0	111	A655 Y658 G659 V737 A740 Y741 N771 D772 L777 S778 Y779	A655-F775 HydrophobicContact CB-CB 4.44Å; A655-F775 WeakPolarHBondContact O-CA 3.48Å; Y658-F775 VanDerWaalsContact C-CE2 3.48Å; G659-F775 VanDerWaalsContact CA-CD2 3.45Å; G659-F775 VanDerWaalsContact CA-CE2 3.42Å; G659-F775 VanDerWaalsContact N-CD2 3.26Å; G659-F775 VanDerWaalsContact N-CE2 3.32Å; V737-F775 HydrophobicContact CG1-CE1 3.94Å; V737-F775 HydrophobicContact CG1-CZ 4.24Å; V737-F775 WeakPolarHBondContact O-CZ 3.34Å; A740-F775 HydrophobicContact CB-CE2 4.03Å; A740-F775 HydrophobicContact CB-CZ 4.03Å; Y741-F775 AromaticContact CD2-CD1 3.65Å; Y741-F775 HydrophobicContact CD2-CD1 3.65Å; Y741-F775 AromaticContact CD2-CE1 3.76Å; Y741-F775 HydrophobicContact CD2-CE1 3.76Å; Y741-F775 HydrophobicContact CD2-CG 4.15Å; Y741-F775 HydrophobicContact CD2-CZ 4.31Å; Y741-F775 HydrophobicContact CE2-CD1 4.47Å; Y741-F775 HydrophobicContact CG-CE1 4.26Å; Y741-F775 VanDerWaalsContact N-CZ 3.34Å; N771-F775 PolarHBondContact O-N 3.34Å; D772-F775 WeakPolarHBondContact O-CB 3.22Å; D772-F775 PolarHBondContact O-N 3.18Å; F775-L777 PolarHBondContact O-N 3.33Å; F775-S778 WeakPolarHBondContact O-CB 3.37Å; F775-S778 PolarHBondContact O-N 2.97Å; F775-S778 VanDerWaalsContact O-N 3.14Å; F775-Y779 PolarHBondContact O-N 2.86Å
776	F	93.9	Very high	78.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-37.9	-177.3	-68	-64.8	0	0	0	112	F182 V737 Y741 D772 S778 Y779 A780 L827 L830 E832 F833 T836 F837	F182-F776 HydrophobicContact CE1-CB 4.45Å; F182-F776 HydrophobicContact CZ-CB 4.34Å; V737-F776 HydrophobicContact CG1-CE1 4.41Å; Y741-F776 HydrophobicContact CD2-CE1 4.12Å; Y741-F776 AromaticContact CD2-CE2 3.83Å; Y741-F776 HydrophobicContact CD2-CE2 3.83Å; Y741-F776 AromaticContact CD2-CZ 3.45Å; Y741-F776 HydrophobicContact CD2-CZ 3.45Å; Y741-F776 VanDerWaalsContact CD2-CZ 3.45Å; Y741-F776 AromaticContact CE2-CE2 3.49Å; Y741-F776 HydrophobicContact CE2-CE2 3.49Å; Y741-F776 VanDerWaalsContact CE2-CE2 3.49Å; Y741-F776 AromaticContact CE2-CZ 3.53Å; Y741-F776 HydrophobicContact CE2-CZ 3.53Å; Y741-F776 HydrophobicContact CG-CZ 4.11Å; D772-F776 WeakPolarHBondContact O-CD2 3Å; D772-F776 PolarHBondContact O-N 3.44Å; D772-F776 VanDerWaalsContact O-N 3.16Å; F776-S778 VanDerWaalsContact C-N 3.32Å; F776-S778 PolarHBondContact O-N 2.04Å; F776-Y779 PolarHBondContact O-N 3.29Å; F776-A780 PolarHBondContact O-N 3.36Å; F776-L827 HydrophobicContact CD1-CD2 3.64Å; F776-L827 HydrophobicContact CE1-CD2 4.15Å; F776-L830 HydrophobicContact CE1-CD1 4.09Å; F776-E832 HydrophobicContact CZ-CB 4.18Å; F776-F833 HydrophobicContact CB-CD2 4.05Å; F776-F833 HydrophobicContact CB-CE2 4.43Å; F776-F833 HydrophobicContact CD1-CB 4.25Å; F776-F833 AromaticContact CD1-CD2 3.99Å; F776-F833 HydrophobicContact CD1-CD2 3.99Å; F776-F833 HydrophobicContact CD2-CD2 4.19Å; F776-F833 HydrophobicContact CE1-CB 3.94Å; F776-F833 HydrophobicContact CE2-CB 4.36Å; F776-F833 AromaticContact CG-CD2 3.81Å; F776-F833 HydrophobicContact CG-CD2 3.81Å; F776-F833 HydrophobicContact CZ-CB 4.01Å; F776-T836 HydrophobicContact CD2-CG2 3.93Å; F776-T836 HydrophobicContact CE2-CG2 4.07Å; F776-F837 HydrophobicContact CB-CE2 3.96Å; F776-F837 HydrophobicContact CD2-CE2 4.18Å; F776-F837 HydrophobicContact CG-CE2 4.44Å
777	L	90.9	Very high	75.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-37.6	173.5	-179.9	66.3	0	0	0	111.9	L168 I172 F182 Y185 A186 M769 Q773 I774 F775 A780 N781	L168-L777 HydrophobicContact CB-CD2 4.41Å; L168-L777 HydrophobicContact CD1-CD2 4.32Å; L168-L777 HydrophobicContact CD2-CG 4.29Å; I172-L777 HydrophobicContact CD1-CD2 3.71Å; I172-L777 HydrophobicContact CG1-CD1 3.92Å; I172-L777 HydrophobicContact CG1-CD2 3.86Å; I172-L777 HydrophobicContact CG1-CG 4.48Å; F182-L777 HydrophobicContact CZ-CB 4.42Å; Y185-L777 HydrophobicContact CE1-CD1 4.4Å; A186-L777 HydrophobicContact CB-CD1 3.77Å; M769-L777 HydrophobicContact CE-CD2 4.38Å; M769-L777 HydrophobicContact SD-CD2 4.01Å; Q773-L777 WeakPolarHBondContact O-CB 3.16Å; Q773-L777 PolarHBondContact O-N 2.89Å; I774-L777 HydrophobicContact CD1-CD2 4.39Å; F775-L777 PolarHBondContact O-N 3.33Å; L777-A780 PolarHBondContact O-N 2.91Å; L777-N781 WeakPolarHBondContact O-CB 3.07Å; L777-N781 PolarHBondContact O-N 2.9Å; L777-N781 PolarHBondContact O-ND2 3.22Å
778	S	86	Confident	73.1	Confident	1 Å²	1	32 Å²	32	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-48.5	174.9	-62.1	0	0	0	0	110.5	I774 F775 F776 A780 N781 V782	I774-S778 WeakPolarHBondContact O-CB 2.96Å; I774-S778 PolarHBondContact O-N 2.79Å; I774-S778 PolarHBondContact O-OG 3.43Å; F775-S778 WeakPolarHBondContact O-CB 3.37Å; F775-S778 PolarHBondContact O-N 2.97Å; F775-S778 VanDerWaalsContact O-N 3.14Å; F776-S778 VanDerWaalsContact C-N 3.32Å; F776-S778 PolarHBondContact O-N 2.04Å; S778-A780 PolarHBondContact O-N 3.46Å; S778-N781 CarbonylContact O-C 3.49Å; S778-N781 WeakPolarHBondContact O-CA 3.26Å; S778-N781 PolarHBondContact O-N 3.24Å; S778-V782 WeakPolarHBondContact O-CB 3.49Å; S778-V782 WeakPolarHBondContact O-CG2 3.43Å; S778-V782 PolarHBondContact O-N 3Å
779	Y	87.1	Confident	70.2	Confident	13 Å²	13	27.2 Å²	27.2	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-50.9	-47	173.4	171.9	-110.6	0	0	0	111.8	G659 A663 V737 F775 F776 N781 W798 R822 V826 L827	G659-Y779 WeakPolarHBondContact O-CA 3.32Å; G659-Y779 WeakPolarHBondContact O-CB 3.37Å; G659-Y779 PolarHBondContact O-N 3.17Å; A663-Y779 HydrophobicContact CB-CD2 3.75Å; A663-Y779 HydrophobicContact CB-CE2 4.25Å; V737-Y779 HydrophobicContact CG2-CD1 4.06Å; V737-Y779 HydrophobicContact CG2-CD2 3.58Å; V737-Y779 HydrophobicContact CG2-CE1 3.8Å; V737-Y779 HydrophobicContact CG2-CE2 3.28Å; V737-Y779 HydrophobicContact CG2-CG 3.95Å; V737-Y779 VanDerWaalsContact CG2-CZ 3.4Å; F775-Y779 PolarHBondContact O-N 2.86Å; F776-Y779 PolarHBondContact O-N 3.29Å; Y779-N781 VanDerWaalsContact C-N 3.27Å; Y779-N781 PolarHBondContact O-N 2.95Å; Y779-W798 AromaticContact CE1-NE1 3.93Å; Y779-W798 HydrophobicContact CE2-CZ2 4.06Å; Y779-W798 AromaticContact CE2-NE1 3.62Å; Y779-W798 AromaticContact CZ-CE2 3.97Å; Y779-W798 AromaticContact CZ-CZ2 4Å; Y779-W798 AromaticContact CZ-NE1 3.54Å; Y779-W798 PolarHBondContact O-NE1 3.36Å; Y779-W798 VanDerWaalsContact O-NE1 3.13Å; Y779-R822 PolarHBondContact OH-O 2.89Å; Y779-R822 VanDerWaalsContact OH-O 3.07Å; Y779-V826 HydrophobicContact CE1-CG1 4.42Å; Y779-L827 HydrophobicContact CD1-CD1 4.42Å; Y779-L827 HydrophobicContact CD1-CD2 4.17Å; Y779-L827 HydrophobicContact CD1-CG 4.42Å; Y779-L827 HydrophobicContact CE1-CD2 4.42Å; Y779-L827 HydrophobicContact CE1-CG 4.43Å
780	A	85.8	Confident	67.3	Low	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-23	176.6	0	0	0	0	0	114.4	F182 A186 C187 F776 L777 S778 C799 V823	F182-A780 HydrophobicContact CD1-CB 3.91Å; F182-A780 HydrophobicContact CE1-CB 3.65Å; A186-A780 HydrophobicContact CB-CB 3.35Å; C187-A780 PolarHBondContact SG-O 3.23Å; F776-A780 PolarHBondContact O-N 3.36Å; L777-A780 PolarHBondContact O-N 2.91Å; S778-A780 PolarHBondContact O-N 3.46Å; A780-C799 PolarHBondContact O-SG 3.04Å; A780-C799 VanDerWaalsContact O-SG 3.4Å; A780-V823 HydrophobicContact CB-CG1 4.3Å; A780-V823 HydrophobicContact CB-CG2 4.44Å
781	N	71.8	Confident	64.2	Low	6 Å²	6	28.2 Å²	28.2	3%	0.032	16%	0.157	C	C	.	.	H	α-helix	trans	-105.8	-11	-175	-99.6	-84.5	0	0	0	117	L168 A171 A186 L777 S778 Y779 R796	L168-N781 HydrophobicContact CD2-CB 3.57Å; A171-N781 WeakPolarHBondContact CB-OD1 3Å; A186-N781 PolarHBondContact O-ND2 2.84Å; L777-N781 WeakPolarHBondContact O-CB 3.07Å; L777-N781 PolarHBondContact O-N 2.9Å; L777-N781 PolarHBondContact O-ND2 3.22Å; S778-N781 CarbonylContact O-C 3.49Å; S778-N781 WeakPolarHBondContact O-CA 3.26Å; S778-N781 PolarHBondContact O-N 3.24Å; Y779-N781 VanDerWaalsContact C-N 3.27Å; Y779-N781 PolarHBondContact O-N 2.95Å; N781-R796 WeakPolarHBondContact O-CD 3.34Å; N781-R796 PolarHBondContact OD1-NH1 3.34Å
782	V	58.6	Low	61.5	Low	7 Å²	7	28.8 Å²	28.8	4%	0.042	16%	0.16	C	C	.	.			trans	-69.5	176.1	-174.7	169.1	0	0	0	0	110.7	F647 S778 R796 F797	F647-V782 HydrophobicContact CD1-CG1 3.42Å; F647-V782 VanDerWaalsContact CD1-CG1 3.42Å; F647-V782 HydrophobicContact CE1-CG1 3.84Å; F647-V782 HydrophobicContact CG-CG1 4.32Å; S778-V782 WeakPolarHBondContact O-CB 3.49Å; S778-V782 WeakPolarHBondContact O-CG2 3.43Å; S778-V782 PolarHBondContact O-N 3Å; V782-R796 CarbonylContact O-C 3.58Å; V782-R796 WeakPolarHBondContact O-CB 3.22Å; V782-F797 HydrophobicContact CG1-CD2 4.01Å; V782-F797 HydrophobicContact CG1-CE2 4.45Å; V782-F797 VanDerWaalsContact O-CB 3.29Å; V782-F797 WeakPolarHBondContact O-CB 2.97Å; V782-F797 PolarHBondContact O-N 3.47Å
783	S	48.4	Very low	58.5	Low	21 Å²	21	28.4 Å²	28.4	15%	0.147	16%	0.16	C	C	.	.			trans	-133.3	61.5	-147.3	-65.5	0	0	0	0	122.2	P646 F647 K795 R796 F797	P646-S783 VanDerWaalsContact CG-CB 3.46Å; P646-S783 WeakPolarHBondContact CG-OG 3.32Å; F647-S783 WeakPolarHBondContact CZ-O 3.45Å; S783-K795 WeakPolarHBondContact CB-O 3.43Å; S783-R796 WeakPolarHBondContact OG-CG 3.24Å; S783-F797 VanDerWaalsContact CA-N 3.33Å
784	F	42.1	Very low	55.6	Low	16 Å²	16	27.7 Å²	27.7	7%	0.07	16%	0.164	C	C	.	.			trans	-104.9	157.1	178.4	-176	-119.9	0	0	0	116.6	N608 F647 P786 R796 F797	N608-F784 HydrophobicContact CB-CE2 4.13Å; N608-F784 WeakPolarHBondContact OD1-CE2 3.21Å; N608-F784 WeakPolarHBondContact OD1-CZ 3.34Å; F647-F784 HydrophobicContact CE1-CB 4.34Å; F647-F784 HydrophobicContact CZ-CB 4.26Å; F784-P786 HydrophobicContact CE1-CB 4.21Å; F784-P786 HydrophobicContact CE1-CG 4.45Å; F784-P786 HydrophobicContact CZ-CB 3.97Å; F784-P786 VanDerWaalsContact CZ-N 3.32Å; F784-R796 CarbonylContact O-C 3.58Å; F784-F797 HydrophobicContact CB-CB 4.31Å; F784-F797 HydrophobicContact CB-CD1 3.53Å; F784-F797 HydrophobicContact CB-CD2 3.34Å; F784-F797 HydrophobicContact CB-CE1 3.58Å; F784-F797 HydrophobicContact CB-CE2 3.39Å; F784-F797 HydrophobicContact CB-CG 3.41Å; F784-F797 VanDerWaalsContact CB-CG 3.41Å; F784-F797 HydrophobicContact CB-CZ 3.51Å; F784-F797 HydrophobicContact CD1-CD1 4.09Å; F784-F797 AromaticContact CD1-CE1 3.65Å; F784-F797 HydrophobicContact CD1-CE1 3.65Å; F784-F797 AromaticContact CD1-CZ 3.99Å; F784-F797 HydrophobicContact CD1-CZ 3.99Å; F784-F797 HydrophobicContact CG-CD1 4.3Å; F784-F797 AromaticContact CG-CE1 3.99Å; F784-F797 HydrophobicContact CG-CE1 3.99Å; F784-F797 HydrophobicContact CG-CE2 4.28Å; F784-F797 AromaticContact CG-CZ 3.97Å; F784-F797 HydrophobicContact CG-CZ 3.97Å; F784-F797 VanDerWaalsContact N-CA 3.28Å; F784-F797 VanDerWaalsContact N-N 3.16Å; F784-F797 WeakPolarHBondContact O-CA 3.33Å
785	S	34.4	Very low	53.2	Low	32 Å²	32	28.5 Å²	28.5	22%	0.224	17%	0.167	C	C	.	.			trans	-153	138.1	153.3	177.6	0	0	0	0	107.2	L787 K795	S785-L787 PolarHBondContact O-N 3.34Å; S785-L787 VanDerWaalsContact O-N 3.07Å; S785-K795 WeakPolarHBondContact OG-CE 3.39Å; S785-K795 PolarHBondContact OG-NZ 3.39Å
786	P	32.7	Very low	50.4	Low	40 Å²	40	29.5 Å²	29.5	26%	0.26	17%	0.171	S	C	.	.			trans	-57.5	118.9	176	21.9	-31.8	0	0	0	110.3	F784 Y788	F784-P786 HydrophobicContact CE1-CB 4.21Å; F784-P786 HydrophobicContact CE1-CG 4.45Å; F784-P786 HydrophobicContact CZ-CB 3.97Å; F784-P786 VanDerWaalsContact CZ-N 3.32Å; P786-Y788 PolarHBondContact O-N 3.15Å
787	L	34.8	Very low	48.3	Very low	84 Å²	84	30.7 Å²	30.7	44%	0.44	18%	0.176	S	C	.	.			trans	-83.9	80.8	-166.2	-170.6	74.3	0	0	0	111.9	S785	S785-L787 PolarHBondContact O-N 3.34Å; S785-L787 VanDerWaalsContact O-N 3.07Å
788	Y	30.7	Very low	46.2	Very low	94 Å²	94	30.9 Å²	30.9	37%	0.369	18%	0.177	S	C	.	.			trans	-86.5	119.5	159.1	-83.7	-82.7	0	0	0	110.2	R630 P786 V790	R630-Y788 WeakPolarHBondContact CB-OH 3.36Å; R630-Y788 WeakPolarHBondContact CD-OH 3.5Å; R630-Y788 WeakPolarHBondContact CG-OH 3.37Å; R630-Y788 PolarHBondContact NH1-OH 2.94Å; R630-Y788 PolarHBondContact O-OH 3.06Å; P786-Y788 PolarHBondContact O-N 3.15Å; Y788-V790 PolarHBondContact O-N 3.31Å
789	P	30.4	Very low	44.6	Very low	57 Å²	57	30.8 Å²	30.8	37%	0.37	18%	0.176	S	C	.	.	S	Bend	trans	-77.3	35.4	-172.4	32.1	-37.4	0	0	0	114.6	P478 G791	P478-P789 HydrophobicContact CB-CB 3.19Å; P478-P789 HydrophobicContact CB-CG 3.59Å; P478-P789 HydrophobicContact CG-CB 3.49Å; P478-P789 VanDerWaalsContact CG-CB 3.49Å; P478-P789 HydrophobicContact CG-CG 4.43Å; P789-G791 VanDerWaalsContact C-N 3.32Å
790	V	28.9	Very low	43.4	Very low	83 Å²	83	30.6 Å²	30.6	50%	0.503	18%	0.178	S	C	.	.	S	Bend	trans	-101.7	30.1	175.9	-159.4	0	0	0	0	110.5	F456 R466 Y788	F456-V790 HydrophobicContact CE1-CG1 3.97Å; F456-V790 HydrophobicContact CZ-CG1 4.01Å; R466-V790 PolarHBondContact NH1-O 3.12Å; Y788-V790 PolarHBondContact O-N 3.31Å
791	G	28.4	Very low	42.3	Very low	16 Å²	16	35 Å²	35	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	129	161.9	179.8	0	0	0	0	0	112	P789	P789-G791 VanDerWaalsContact C-N 3.32Å
792	N	34.9	Very low	42.4	Very low	27 Å²	27	36.3 Å²	36.3	14%	0.144	20%	0.204	C	C	.	.			trans	68.4	112.6	174.1	-38.2	-15	0	0	0	114.1	M200 S201 G202	M200-N792 WeakPolarHBondContact CA-OD1 3.43Å; M200-N792 WeakPolarHBondContact CB-OD1 3.49Å; M200-N792 HydrophobicContact CG-CB 4.49Å; M200-N792 HydrophobicContact SD-CB 4.37Å; S201-N792 PolarHBondContact N-OD1 3.4Å; S201-N792 PolarHBondContact OG-ND2 3.36Å; G202-N792 PolarHBondContact N-ND2 2.99Å
793	V	30	Very low	43.2	Very low	57 Å²	57	37.4 Å²	37.4	35%	0.345	21%	0.208	S	C	.	.			trans	-122.6	126.3	164.1	-175	0	0	0	0	106.4	F206	F206-V793 HydrophobicContact CB-CB 4.31Å; F206-V793 HydrophobicContact CB-CG1 3.8Å; F206-V793 HydrophobicContact CD2-CG1 4.25Å; F206-V793 HydrophobicContact CG-CG1 4.32Å
794	G	32.2	Very low	45	Very low	24 Å²	24	39.4 Å²	39.4	25%	0.247	22%	0.22	C	C	.	.			trans	87.7	128.2	-165.6	0	0	0	0	0	112.5	Y203 G204	Y203-G794 CarbonylContact C-O 3.56Å; Y203-G794 VanDerWaalsContact C-O 3.23Å; G204-G794 VanDerWaalsContact CA-C 3.4Å; G204-G794 WeakPolarHBondContact CA-O 3.4Å; G204-G794 PolarHBondContact N-O 3.4Å
795	K	42	Very low	47	Very low	19 Å²	19	39.6 Å²	39.6	8%	0.083	23%	0.225	C	C	.	.			trans	-149.8	170.4	151.3	-66.8	-159.2	-154.1	144.3	0	107.5	Y203 S783 S785 E819	Y203-K795 VanDerWaalsContact O-CA 3.31Å; Y203-K795 WeakPolarHBondContact O-CA 3.29Å; S783-K795 WeakPolarHBondContact CB-O 3.43Å; S785-K795 WeakPolarHBondContact OG-CE 3.39Å; S785-K795 PolarHBondContact OG-NZ 3.39Å; K795-E819 IonicContact NZ-OE1 2.64Å; K795-E819 PolarHBondContact NZ-OE1 3Å
796	R	35.2	Very low	49.3	Very low	21 Å²	21	38.5 Å²	38.5	8%	0.079	22%	0.218	C	C	.	.			trans	-89.7	155.4	151.5	-50.4	-167.8	162.8	-173.8	-0.7	109.1	N167 N781 V782 S783 F784 W798 C799	N167-R796 PolarHBondContact O-NH1 3.11Å; N167-R796 PolarHBondContact O-NH2 2.77Å; N167-R796 PolarHBondContact OD1-NH2 3.45Å; N781-R796 WeakPolarHBondContact O-CD 3.34Å; N781-R796 PolarHBondContact OD1-NH1 3.34Å; V782-R796 CarbonylContact O-C 3.58Å; V782-R796 WeakPolarHBondContact O-CB 3.22Å; S783-R796 WeakPolarHBondContact OG-CG 3.24Å; F784-R796 CarbonylContact O-C 3.58Å; R796-W798 PolarHBondContact O-N 2.85Å; R796-C799 HydrophobicContact CB-CB 3.79Å; R796-C799 VanDerWaalsContact CB-O 3.31Å; R796-C799 WeakPolarHBondContact CB-O 3.39Å; R796-C799 HydrophobicContact CG-CB 4.24Å; R796-C799 PolarHBondContact N-O 3.26Å
797	F	48.4	Very low	51.9	Low	25 Å²	25	37.2 Å²	37.2	11%	0.11	21%	0.21	C	C	.	.	S	Bend	trans	-50.1	-51.9	-177	-123.8	-70	0	0	0	108	F647 V664 V782 S783 F784 E819	F647-F797 HydrophobicContact CE1-CD2 4.02Å; F647-F797 AromaticContact CE1-CE2 3.86Å; F647-F797 HydrophobicContact CE1-CE2 3.86Å; V664-F797 HydrophobicContact CG2-CE2 3.54Å; V664-F797 HydrophobicContact CG2-CZ 3.72Å; V782-F797 HydrophobicContact CG1-CD2 4.01Å; V782-F797 HydrophobicContact CG1-CE2 4.45Å; V782-F797 VanDerWaalsContact O-CB 3.29Å; V782-F797 WeakPolarHBondContact O-CB 2.97Å; V782-F797 PolarHBondContact O-N 3.47Å; S783-F797 VanDerWaalsContact CA-N 3.33Å; F784-F797 HydrophobicContact CB-CB 4.31Å; F784-F797 HydrophobicContact CB-CD1 3.53Å; F784-F797 HydrophobicContact CB-CD2 3.34Å; F784-F797 HydrophobicContact CB-CE1 3.58Å; F784-F797 HydrophobicContact CB-CE2 3.39Å; F784-F797 HydrophobicContact CB-CG 3.41Å; F784-F797 VanDerWaalsContact CB-CG 3.41Å; F784-F797 HydrophobicContact CB-CZ 3.51Å; F784-F797 HydrophobicContact CD1-CD1 4.09Å; F784-F797 AromaticContact CD1-CE1 3.65Å; F784-F797 HydrophobicContact CD1-CE1 3.65Å; F784-F797 AromaticContact CD1-CZ 3.99Å; F784-F797 HydrophobicContact CD1-CZ 3.99Å; F784-F797 HydrophobicContact CG-CD1 4.3Å; F784-F797 AromaticContact CG-CE1 3.99Å; F784-F797 HydrophobicContact CG-CE1 3.99Å; F784-F797 HydrophobicContact CG-CE2 4.28Å; F784-F797 AromaticContact CG-CZ 3.97Å; F784-F797 HydrophobicContact CG-CZ 3.97Å; F784-F797 VanDerWaalsContact N-CA 3.28Å; F784-F797 VanDerWaalsContact N-N 3.16Å; F784-F797 WeakPolarHBondContact O-CA 3.33Å; F797-E819 WeakPolarHBondContact O-CG 3.45Å
798	W	47	Very low	54.5	Low	5 Å²	5	34 Å²	34	2%	0.019	19%	0.193	C	C	.	.	S	Bend	trans	-110.7	-53.1	-178.6	-43.2	124.2	0	0	0	110.8	Y183 Y779 R796 G800 E819 R822 V823	Y183-W798 HydrophobicContact CD2-CB 4.25Å; Y183-W798 HydrophobicContact CE2-CB 4Å; Y183-W798 VanDerWaalsContact CE2-O 3.28Å; Y183-W798 WeakPolarHBondContact CE2-O 3.32Å; Y183-W798 PolarHBondContact OH-O 3.33Å; Y183-W798 VanDerWaalsContact OH-O 3.09Å; Y779-W798 AromaticContact CE1-NE1 3.93Å; Y779-W798 HydrophobicContact CE2-CZ2 4.06Å; Y779-W798 AromaticContact CE2-NE1 3.62Å; Y779-W798 AromaticContact CZ-CE2 3.97Å; Y779-W798 AromaticContact CZ-CZ2 4Å; Y779-W798 AromaticContact CZ-NE1 3.54Å; Y779-W798 PolarHBondContact O-NE1 3.36Å; Y779-W798 VanDerWaalsContact O-NE1 3.13Å; R796-W798 PolarHBondContact O-N 2.85Å; W798-G800 PolarHBondContact O-N 2.82Å; W798-E819 HydrophobicContact CE3-CB 4.23Å; W798-E819 HydrophobicContact CE3-CG 4.31Å; W798-E819 VanDerWaalsContact CE3-O 3.26Å; W798-E819 WeakPolarHBondContact O-CB 3.32Å; W798-R822 HydrophobicContact CD2-CB 4.23Å; W798-R822 HydrophobicContact CE3-CB 3.77Å; W798-R822 HydrophobicContact CH2-CB 3.34Å; W798-R822 HydrophobicContact CH2-CG 3.97Å; W798-R822 VanDerWaalsContact CH2-NE 3.3Å; W798-R822 HydrophobicContact CZ2-CB 3.78Å; W798-R822 HydrophobicContact CZ3-CB 3.35Å; W798-R822 VanDerWaalsContact CZ3-CD 3.48Å; W798-R822 HydrophobicContact CZ3-CG 3.88Å; W798-V823 HydrophobicContact CB-CG2 3.36Å; W798-V823 HydrophobicContact CD2-CG2 3.93Å; W798-V823 HydrophobicContact CG-CG2 3.16Å
799	C	53	Low	57.1	Low	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-61.1	100.3	-177.9	-44.3	0	0	0	0	111.3	C187 W190 A780 R796	C187-C799 WeakPolarHBondContact CA-SG 3.08Å; C187-C799 HydrophobicContact CB-CB 3.42Å; C187-C799 VanDerWaalsContact CB-CB 3.42Å; C187-C799 WeakPolarHBondContact CB-SG 3.1Å; C187-C799 WeakPolarHBondContact SG-CA 3.41Å; C187-C799 WeakPolarHBondContact SG-CB 3.46Å; C187-C799 PolarHBondContact SG-N 2.96Å; C187-C799 VanDerWaalsContact SG-N 3.45Å; C187-C799 CovalentContact SG-SG 2.03Å; C187-C799 PolarHBondContact SG-SG 3.01Å; W190-C799 HydrophobicContact CB-CB 4.48Å; W190-C799 HydrophobicContact CD2-CB 4.17Å; W190-C799 HydrophobicContact CE3-CB 4.01Å; W190-C799 HydrophobicContact CG-CB 4.37Å; W190-C799 VanDerWaalsContact CZ3-O 3.29Å; W190-C799 WeakPolarHBondContact CZ3-O 3.38Å; A780-C799 PolarHBondContact O-SG 3.04Å; A780-C799 VanDerWaalsContact O-SG 3.4Å; R796-C799 HydrophobicContact CB-CB 3.79Å; R796-C799 VanDerWaalsContact CB-O 3.31Å; R796-C799 WeakPolarHBondContact CB-O 3.39Å; R796-C799 HydrophobicContact CG-CB 4.24Å; R796-C799 PolarHBondContact N-O 3.26Å
800	G	60.8	Low	59.7	Low	9 Å²	9	30.6 Å²	30.6	9%	0.093	18%	0.176	C	C	.	.			trans	-179.9	135.1	-162.6	0	0	0	0	0	110.9	Y183 N191 W798	Y183-G800 PolarHBondContact OH-N 2.89Å; Y183-G800 VanDerWaalsContact OH-N 3.13Å; Y183-G800 PolarHBondContact OH-O 3.17Å; N191-G800 PolarHBondContact OD1-N 2.7Å; W798-G800 PolarHBondContact O-N 2.82Å
801	H	64.5	Low	62.6	Low	93 Å²	93	27.3 Å²	27.3	43%	0.431	16%	0.156	S	C	.	.			trans	-114.1	136.3	163.6	-69.3	-64.1	0	0	0	109.6	N191 I196 G202	N191-H801 VanDerWaalsContact CB-NE2 3.29Å; N191-H801 WeakPolarHBondContact CB-NE2 3.19Å; I196-H801 HydrophobicContact CD1-CB 4.36Å; I196-H801 WeakPolarHBondContact CD1-O 3.46Å; G202-H801 WeakPolarHBondContact CA-O 3.37Å
802	K	72.1	Confident	65.3	Low	32 Å²	32	27.8 Å²	27.8	14%	0.139	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-96.7	145.4	168.2	-79.6	169.4	179.6	156.1	0	108.4	A806 S807 E819	K802-A806 HydrophobicContact CB-CB 4.22Å; K802-A806 HydrophobicContact CG-CB 4.49Å; K802-S807 VanDerWaalsContact CB-OG 3.27Å; K802-S807 WeakPolarHBondContact CB-OG 3.41Å; K802-S807 PolarHBondContact O-OG 2.84Å; K802-E819 WeakPolarHBondContact CE-OE1 3.4Å; K802-E819 WeakPolarHBondContact CE-OE2 3.37Å; K802-E819 IonicContact NZ-OE1 2.84Å; K802-E819 PolarHBondContact NZ-OE1 3.15Å; K802-E819 IonicContact NZ-OE2 3.69Å; K802-E819 PolarHBondContact NZ-OE2 3.33Å
803	K	76.9	Confident	67.5	Low	30 Å²	30	27.5 Å²	27.5	13%	0.13	15%	0.154	C	C	.	.			trans	-63.9	144.1	167.4	-66.7	177.4	176.9	161.1	0	108.7	I196 P197 M200 S201 G465 A805 A806 S807	I196-K803 HydrophobicContact CD1-CG 3.72Å; I196-K803 HydrophobicContact CG2-CD 4.37Å; I196-K803 HydrophobicContact CG2-CG 4.41Å; P197-K803 PolarHBondContact O-NZ 2.97Å; M200-K803 PolarHBondContact O-NZ 3.49Å; S201-K803 PolarHBondContact O-N 3.1Å; G465-K803 WeakPolarHBondContact O-CD 3.39Å; G465-K803 WeakPolarHBondContact O-CE 3.4Å; G465-K803 PolarHBondContact O-NZ 3.28Å; K803-A805 VanDerWaalsContact C-N 3.25Å; K803-A805 PolarHBondContact O-N 3.2Å; K803-A806 WeakPolarHBondContact O-CA 3.47Å; K803-A806 WeakPolarHBondContact O-CB 3.39Å; K803-A806 PolarHBondContact O-N 3.43Å; K803-S807 PolarHBondContact O-N 3.03Å; K803-S807 PolarHBondContact O-OG 3Å
804	P	85.5	Confident	69.8	Low	63 Å²	63	26.2 Å²	26.2	41%	0.409	15%	0.145	S	C	.	.	H	α-helix	trans	-51.2	-37.5	-170.8	-32.5	36.6	0	0	0	115.4	D716 I717 A806 S807 L808	D716-P804 HydrophobicContact CB-CB 4.49Å; D716-P804 HydrophobicContact CB-CG 4.02Å; I717-P804 HydrophobicContact CG2-CB 3.81Å; I717-P804 VanDerWaalsContact CG2-O 3.32Å; I717-P804 WeakPolarHBondContact CG2-O 3.32Å; P804-A806 VanDerWaalsContact C-N 3.35Å; P804-A806 PolarHBondContact O-N 3.05Å; P804-S807 WeakPolarHBondContact O-CB 3.19Å; P804-S807 PolarHBondContact O-N 3.36Å; P804-L808 WeakPolarHBondContact O-CB 3.39Å; P804-L808 PolarHBondContact O-N 3.32Å
805	A	85.2	Confident	72.3	Confident	21 Å²	21	25.4 Å²	25.4	17%	0.174	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-34.5	175	0	0	0	0	0	113.7	V462 M463 K803 L808 Q809	V462-A805 WeakPolarHBondContact O-CB 3.42Å; M463-A805 CarbonylContact O-C 3.53Å; M463-A805 WeakPolarHBondContact O-CB 3.13Å; K803-A805 VanDerWaalsContact C-N 3.25Å; K803-A805 PolarHBondContact O-N 3.2Å; A805-L808 WeakPolarHBondContact O-CB 3.41Å; A805-Q809 PolarHBondContact O-N 3.43Å
806	A	82.1	Confident	74.3	Confident	9 Å²	9	25.2 Å²	25.2	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-76.1	-33.4	174.1	0	0	0	0	0	112.5	V464 K802 K803 P804 L808 Q809 Q810	V464-A806 HydrophobicContact CB-CB 3.95Å; V464-A806 HydrophobicContact CG1-CB 4.43Å; K802-A806 HydrophobicContact CB-CB 4.22Å; K802-A806 HydrophobicContact CG-CB 4.49Å; K803-A806 WeakPolarHBondContact O-CA 3.47Å; K803-A806 WeakPolarHBondContact O-CB 3.39Å; K803-A806 PolarHBondContact O-N 3.43Å; P804-A806 VanDerWaalsContact C-N 3.35Å; P804-A806 PolarHBondContact O-N 3.05Å; A806-L808 VanDerWaalsContact C-N 3.35Å; A806-Q809 PolarHBondContact O-N 3.02Å; A806-Q810 PolarHBondContact O-N 3.34Å
807	S	86.5	Confident	76.9	Confident	13 Å²	13	24.2 Å²	24.2	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-43.7	170	-47.5	0	0	0	0	110.7	K802 K803 P804 Q810 V811	K802-S807 VanDerWaalsContact CB-OG 3.27Å; K802-S807 WeakPolarHBondContact CB-OG 3.41Å; K802-S807 PolarHBondContact O-OG 2.84Å; K803-S807 PolarHBondContact O-N 3.03Å; K803-S807 PolarHBondContact O-OG 3Å; P804-S807 WeakPolarHBondContact O-CB 3.19Å; P804-S807 PolarHBondContact O-N 3.36Å; S807-Q810 PolarHBondContact O-N 3.24Å; S807-V811 WeakPolarHBondContact O-CG2 3.31Å; S807-V811 PolarHBondContact O-N 3.24Å; S807-V811 VanDerWaalsContact O-N 3.17Å
808	L	89.4	Confident	78.7	Confident	15 Å²	15	23.4 Å²	23.4	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-46.9	172.7	169.9	65	0	0	0	111.6	Y302 Y309 I717 I719 P804 A805 A806 Q810 V811 L812	Y302-L808 HydrophobicContact CE1-CD2 4.47Å; Y309-L808 HydrophobicContact CD1-CD1 4.44Å; Y309-L808 HydrophobicContact CD1-CD2 4.31Å; Y309-L808 HydrophobicContact CE1-CD1 3.78Å; Y309-L808 HydrophobicContact CE1-CD2 4.44Å; I717-L808 HydrophobicContact CD1-CB 4.41Å; I719-L808 HydrophobicContact CD1-CD1 3.5Å; I719-L808 VanDerWaalsContact CD1-CD1 3.5Å; P804-L808 WeakPolarHBondContact O-CB 3.39Å; P804-L808 PolarHBondContact O-N 3.32Å; A805-L808 WeakPolarHBondContact O-CB 3.41Å; A806-L808 VanDerWaalsContact C-N 3.35Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; L808-Q810 PolarHBondContact O-N 3.49Å; L808-V811 PolarHBondContact O-N 2.89Å; L808-L812 HydrophobicContact CD1-CD1 3.77Å; L808-L812 HydrophobicContact CD1-CG 4.2Å; L808-L812 HydrophobicContact CG-CD1 4.28Å; L808-L812 WeakPolarHBondContact O-CG 3.44Å; L808-L812 PolarHBondContact O-N 3.24Å
809	Q	86.8	Confident	80.3	Confident	69 Å²	69	24 Å²	24	32%	0.322	13%	0.131	S	C	.	.	H	α-helix	trans	-58.8	-46.2	177.7	-167.7	-166	-10.3	0	0	111.4	Y302 A805 A806 V811 L812 T813	Y302-Q809 VanDerWaalsContact OH-CA 3.29Å; Y302-Q809 WeakPolarHBondContact OH-CA 3.49Å; A805-Q809 PolarHBondContact O-N 3.43Å; A806-Q809 PolarHBondContact O-N 3.02Å; Q809-V811 PolarHBondContact O-N 2.75Å; Q809-L812 PolarHBondContact O-N 2.96Å; Q809-T813 HydrophobicContact CG-CG2 4.39Å; Q809-T813 PolarHBondContact O-N 3.13Å; Q809-T813 PolarHBondContact O-OG1 2.8Å; Q809-T813 VanDerWaalsContact O-OG1 3.11Å
810	Q	84.1	Confident	81.9	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-54	-54.8	178.3	-177.9	-178.2	14.5	0	0	111.6	A806 S807 L808 L812 T813 D814 H816 S817 E819	A806-Q810 PolarHBondContact O-N 3.34Å; S807-Q810 PolarHBondContact O-N 3.24Å; L808-Q810 VanDerWaalsContact C-N 3.34Å; L808-Q810 PolarHBondContact O-N 3.49Å; Q810-L812 PolarHBondContact O-N 3.03Å; Q810-T813 PolarHBondContact O-N 2.83Å; Q810-T813 VanDerWaalsContact O-N 3.15Å; Q810-D814 HydrophobicContact CB-CB 4.31Å; Q810-D814 HydrophobicContact CG-CB 3.6Å; Q810-D814 VanDerWaalsContact O-CB 3.23Å; Q810-D814 WeakPolarHBondContact O-CB 3.48Å; Q810-D814 PolarHBondContact O-N 3.09Å; Q810-H816 PolarHBondContact NE2-O 3.37Å; Q810-S817 PolarHBondContact NE2-O 3.11Å; Q810-E819 PolarHBondContact OE1-OE2 3.35Å
811	V	89	Confident	83.4	Confident	13 Å²	13	26 Å²	26	8%	0.079	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-22.4	-174.3	175.9	0	0	0	0	113.1	V714 I717 I719 K720 S807 L808 Q809 P818	V714-V811 HydrophobicContact CG2-CG2 3.57Å; I717-V811 HydrophobicContact CD1-CG2 4.22Å; I719-V811 HydrophobicContact CG2-CG1 3.8Å; K720-V811 WeakPolarHBondContact O-CG1 3.49Å; S807-V811 WeakPolarHBondContact O-CG2 3.31Å; S807-V811 PolarHBondContact O-N 3.24Å; S807-V811 VanDerWaalsContact O-N 3.17Å; L808-V811 PolarHBondContact O-N 2.89Å; Q809-V811 PolarHBondContact O-N 2.75Å; V811-P818 HydrophobicContact CG2-CG 3.98Å
812	L	86.4	Confident	84.6	Confident	27 Å²	27	22 Å²	22	14%	0.141	12%	0.119	C	C	.	.	H	α-helix	trans	-97.6	-23.9	178.8	-61.7	-179.9	0	0	0	114.8	E301 Y302 Y309 L808 Q809 Q810	E301-L812 HydrophobicContact CB-CD2 4.42Å; Y302-L812 HydrophobicContact CD2-CD1 4.47Å; Y302-L812 HydrophobicContact CE1-CD1 4.19Å; Y302-L812 HydrophobicContact CE2-CD1 4.07Å; Y309-L812 HydrophobicContact CE1-CD1 3.87Å; Y309-L812 HydrophobicContact CE2-CD1 4.16Å; Y309-L812 WeakPolarHBondContact OH-CD2 3.39Å; L808-L812 HydrophobicContact CD1-CD1 3.77Å; L808-L812 HydrophobicContact CD1-CG 4.2Å; L808-L812 HydrophobicContact CG-CD1 4.28Å; L808-L812 WeakPolarHBondContact O-CG 3.44Å; L808-L812 PolarHBondContact O-N 3.24Å; Q809-L812 PolarHBondContact O-N 2.96Å; Q810-L812 PolarHBondContact O-N 3.03Å
813	T	80.3	Confident	85.5	Confident	20 Å²	20	20.4 Å²	20.4	12%	0.123	11%	0.113	C	C	.	.	H	α-helix	trans	-135.5	0.7	-167.1	79.3	0	0	0	0	115.6	T299 Y302 Q809 Q810	T299-T813 HydrophobicContact CG2-CG2 4.14Å; Y302-T813 HydrophobicContact CE2-CG2 4.24Å; Q809-T813 HydrophobicContact CG-CG2 4.39Å; Q809-T813 PolarHBondContact O-N 3.13Å; Q809-T813 PolarHBondContact O-OG1 2.8Å; Q809-T813 VanDerWaalsContact O-OG1 3.11Å; Q810-T813 PolarHBondContact O-N 2.83Å; Q810-T813 VanDerWaalsContact O-N 3.15Å
814	D	78.5	Confident	86.3	Confident	30 Å²	30	20 Å²	20	16%	0.16	11%	0.112	C	C	.	.			trans	-117.2	124.9	-176.3	-161.6	-11.9	0	0	0	108.6	Q810 H816	Q810-D814 HydrophobicContact CB-CB 4.31Å; Q810-D814 HydrophobicContact CG-CB 3.6Å; Q810-D814 VanDerWaalsContact O-CB 3.23Å; Q810-D814 WeakPolarHBondContact O-CB 3.48Å; Q810-D814 PolarHBondContact O-N 3.09Å; D814-H816 PolarHBondContact O-N 2.86Å; D814-H816 IonicContact OD1-CE1 2.71Å; D814-H816 IonicContact OD1-CG 2.83Å; D814-H816 PolarHBondContact OD1-N 3.47Å; D814-H816 IonicContact OD1-ND1 2.85Å; D814-H816 PolarHBondContact OD1-ND1 3.2Å; D814-H816 IonicContact OD2-ND1 3.83Å
815	P	85.1	Confident	86.7	Confident	8 Å²	8	17 Å²	17	5%	0.052	9%	0.092	C	C	.	.	S	Bend	trans	-64.6	-21.7	172.7	29.3	-37	0	0	0	111.1	V631 L634 T726 E729 S817	V631-P815 HydrophobicContact CG1-CG 4.44Å; L634-P815 HydrophobicContact CD1-CG 4.43Å; T726-P815 WeakPolarHBondContact CA-O 3.03Å; T726-P815 WeakPolarHBondContact CB-O 3.46Å; T726-P815 WeakPolarHBondContact CG2-O 3.5Å; E729-P815 HydrophobicContact CG-CB 3.91Å; E729-P815 WeakPolarHBondContact CG-O 3.34Å; P815-S817 PolarHBondContact O-N 3.35Å
816	H	83.5	Confident	87.1	Confident	14 Å²	14	16 Å²	16	7%	0.065	8%	0.084	C	C	.	.	S	Bend	trans	-76.1	121.8	178.1	-49.3	106.1	0	0	0	111.6	E729 Q810 D814 R822	E729-H816 IonicContact OE2-CD2 3.28Å; E729-H816 PolarHBondContact OE2-CD2 2.86Å; E729-H816 IonicContact OE2-NE2 3.25Å; E729-H816 PolarHBondContact OE2-NE2 3.36Å; Q810-H816 PolarHBondContact NE2-O 3.37Å; D814-H816 PolarHBondContact O-N 2.86Å; D814-H816 IonicContact OD1-CE1 2.71Å; D814-H816 IonicContact OD1-CG 2.83Å; D814-H816 PolarHBondContact OD1-N 3.47Å; D814-H816 IonicContact OD1-ND1 2.85Å; D814-H816 PolarHBondContact OD1-ND1 3.2Å; D814-H816 IonicContact OD2-ND1 3.83Å; H816-R822 PolarHBondContact CD2-NH1 3.36Å
817	S	90	Very high	87.8	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-50.3	145.8	167	-77.3	0	0	0	0	111.7	Y709 T726 N730 Q810 P815 R822	Y709-S817 WeakPolarHBondContact CD1-OG 3.13Å; T726-S817 WeakPolarHBondContact CB-OG 3.48Å; T726-S817 PolarHBondContact OG1-OG 3.19Å; N730-S817 WeakPolarHBondContact OD1-CB 3.38Å; N730-S817 PolarHBondContact OD1-OG 2.91Å; Q810-S817 PolarHBondContact NE2-O 3.11Å; P815-S817 PolarHBondContact O-N 3.35Å; S817-R822 WeakPolarHBondContact O-CD 3.27Å; S817-R822 WeakPolarHBondContact O-CG 3.22Å
818	P	86.9	Confident	88.2	Confident	7 Å²	7	15.2 Å²	15.2	5%	0.045	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-53.2	144.2	177.9	-26	34.1	0	0	0	113.1	V714 V721 V811 M820 F821 R822	V714-P818 HydrophobicContact CG2-CB 4.44Å; V714-P818 HydrophobicContact CG2-CG 3.73Å; V721-P818 HydrophobicContact CG2-CG 3.91Å; V811-P818 HydrophobicContact CG2-CG 3.98Å; P818-M820 VanDerWaalsContact C-N 3.28Å; P818-M820 PolarHBondContact O-N 3.46Å; P818-F821 HydrophobicContact CB-CD2 3.97Å; P818-F821 HydrophobicContact CB-CE2 4.47Å; P818-F821 HydrophobicContact CG-CD2 4.2Å; P818-F821 PolarHBondContact O-N 3.07Å; P818-R822 PolarHBondContact O-N 3.13Å
819	E	79.8	Confident	88.4	Confident	18 Å²	18	15.2 Å²	15.2	8%	0.084	8%	0.078	C	C	.	.	H	α-helix	trans	-46.7	-44.3	-165.9	-82.6	89.8	154.7	0	0	114.5	K795 F797 W798 K802 Q810 F821	K795-E819 IonicContact NZ-OE1 2.64Å; K795-E819 PolarHBondContact NZ-OE1 3Å; F797-E819 WeakPolarHBondContact O-CG 3.45Å; W798-E819 HydrophobicContact CE3-CB 4.23Å; W798-E819 HydrophobicContact CE3-CG 4.31Å; W798-E819 VanDerWaalsContact CE3-O 3.26Å; W798-E819 WeakPolarHBondContact O-CB 3.32Å; K802-E819 WeakPolarHBondContact CE-OE1 3.4Å; K802-E819 WeakPolarHBondContact CE-OE2 3.37Å; K802-E819 IonicContact NZ-OE1 2.84Å; K802-E819 PolarHBondContact NZ-OE1 3.15Å; K802-E819 IonicContact NZ-OE2 3.69Å; K802-E819 PolarHBondContact NZ-OE2 3.33Å; Q810-E819 PolarHBondContact OE1-OE2 3.35Å; E819-F821 VanDerWaalsContact C-N 3.34Å; E819-F821 PolarHBondContact O-N 3.3Å
820	M	86.7	Confident	88.8	Confident	40 Å²	40	12.3 Å²	12.3	20%	0.197	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-30.9	177.8	65.6	-172.8	-68.6	0	0	114.4	Y183 P715 P818 V823 I824	Y183-M820 HydrophobicContact CD1-CB 3.76Å; Y183-M820 HydrophobicContact CD2-CB 4.2Å; Y183-M820 HydrophobicContact CE1-CB 4.02Å; Y183-M820 HydrophobicContact CE2-CB 4.47Å; Y183-M820 HydrophobicContact CG-CB 3.85Å; P715-M820 VanDerWaalsContact CD-SD 3.56Å; P715-M820 HydrophobicContact CG-CE 4.09Å; P715-M820 HydrophobicContact CG-SD 3.8Å; P818-M820 VanDerWaalsContact C-N 3.28Å; P818-M820 PolarHBondContact O-N 3.46Å; M820-V823 PolarHBondContact O-N 2.67Å; M820-I824 HydrophobicContact CB-CD1 4.4Å; M820-I824 HydrophobicContact CE-CD1 4.13Å; M820-I824 WeakPolarHBondContact O-CB 3.13Å; M820-I824 WeakPolarHBondContact O-CD1 3.39Å; M820-I824 VanDerWaalsContact O-CG1 3.22Å; M820-I824 WeakPolarHBondContact O-CG1 3.23Å; M820-I824 PolarHBondContact O-N 2.84Å
821	F	92.1	Very high	89.2	Confident	11 Å²	11	16.7 Å²	16.7	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-87.3	-18.9	-175.9	-60.2	-57	0	0	0	113.3	Y709 Y712 T713 V714 V721 P818 E819 V823 G825	Y709-F821 HydrophobicContact CE1-CB 4.3Å; Y709-F821 WeakPolarHBondContact CE1-O 3.19Å; Y709-F821 PolarHBondContact OH-O 3.41Å; Y712-F821 AromaticContact CD1-CD1 3.5Å; Y712-F821 HydrophobicContact CD1-CD1 3.5Å; Y712-F821 VanDerWaalsContact CD1-CD1 3.5Å; Y712-F821 AromaticContact CD1-CE1 3.58Å; Y712-F821 HydrophobicContact CD1-CE1 3.58Å; Y712-F821 HydrophobicContact CD1-CG 4.38Å; Y712-F821 HydrophobicContact CD2-CB 3.91Å; Y712-F821 AromaticContact CD2-CD1 3.74Å; Y712-F821 HydrophobicContact CD2-CD1 3.74Å; Y712-F821 AromaticContact CD2-CG 3.87Å; Y712-F821 HydrophobicContact CD2-CG 3.87Å; Y712-F821 HydrophobicContact CE1-CD1 4.05Å; Y712-F821 HydrophobicContact CE1-CE1 4.37Å; Y712-F821 HydrophobicContact CE2-CB 4.36Å; Y712-F821 HydrophobicContact CE2-CD1 4.28Å; Y712-F821 HydrophobicContact CG-CB 4.35Å; Y712-F821 AromaticContact CG-CD1 3.35Å; Y712-F821 HydrophobicContact CG-CD1 3.35Å; Y712-F821 HydrophobicContact CG-CD2 4.42Å; Y712-F821 AromaticContact CG-CE1 3.68Å; Y712-F821 HydrophobicContact CG-CE1 3.68Å; Y712-F821 AromaticContact CG-CG 3.79Å; Y712-F821 HydrophobicContact CG-CG 3.79Å; Y712-F821 HydrophobicContact CG-CZ 4.35Å; T713-F821 WeakPolarHBondContact O-CZ 3.46Å; V714-F821 HydrophobicContact CG2-CE2 4.18Å; V721-F821 HydrophobicContact CG2-CD2 4.03Å; V721-F821 HydrophobicContact CG2-CE2 4.35Å; P818-F821 HydrophobicContact CB-CD2 3.97Å; P818-F821 HydrophobicContact CB-CE2 4.47Å; P818-F821 HydrophobicContact CG-CD2 4.2Å; P818-F821 PolarHBondContact O-N 3.07Å; E819-F821 VanDerWaalsContact C-N 3.34Å; E819-F821 PolarHBondContact O-N 3.3Å; F821-V823 VanDerWaalsContact C-N 3.34Å; F821-G825 WeakPolarHBondContact O-CA 3.27Å; F821-G825 PolarHBondContact O-N 2.83Å
822	R	90.5	Very high	89.5	Confident	8 Å²	8	18.9 Å²	18.9	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-71.8	-30.5	166.1	-63.8	-177.9	69.4	-172.8	5.1	110.7	H667 D733 Y779 W798 H816 S817 P818 V826	H667-R822 PolarHBondContact CE1-NH2 2.96Å; H667-R822 PolarHBondContact NE2-NH2 2.92Å; D733-R822 IonicContact OD1-CZ 2.73Å; D733-R822 IonicContact OD1-NE 3.21Å; D733-R822 PolarHBondContact OD1-NE 3.44Å; D733-R822 IonicContact OD1-NH2 2.7Å; D733-R822 PolarHBondContact OD1-NH2 3.34Å; D733-R822 WeakPolarHBondContact OD2-CD 3.29Å; D733-R822 VanDerWaalsContact OD2-CG 3.25Å; D733-R822 WeakPolarHBondContact OD2-CG 3.27Å; D733-R822 IonicContact OD2-CZ 3.49Å; D733-R822 IonicContact OD2-NE 3.9Å; D733-R822 PolarHBondContact OD2-NE 3.37Å; D733-R822 IonicContact OD2-NH2 2.73Å; Y779-R822 PolarHBondContact OH-O 2.89Å; Y779-R822 VanDerWaalsContact OH-O 3.07Å; W798-R822 HydrophobicContact CD2-CB 4.23Å; W798-R822 HydrophobicContact CE3-CB 3.77Å; W798-R822 HydrophobicContact CH2-CB 3.34Å; W798-R822 HydrophobicContact CH2-CG 3.97Å; W798-R822 VanDerWaalsContact CH2-NE 3.3Å; W798-R822 HydrophobicContact CZ2-CB 3.78Å; W798-R822 HydrophobicContact CZ3-CB 3.35Å; W798-R822 VanDerWaalsContact CZ3-CD 3.48Å; W798-R822 HydrophobicContact CZ3-CG 3.88Å; H816-R822 PolarHBondContact CD2-NH1 3.36Å; S817-R822 WeakPolarHBondContact O-CD 3.27Å; S817-R822 WeakPolarHBondContact O-CG 3.22Å; P818-R822 PolarHBondContact O-N 3.13Å; R822-V826 WeakPolarHBondContact O-CB 3.16Å; R822-V826 WeakPolarHBondContact O-CG2 3.46Å
823	V	90.4	Very high	89.9	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.8	-59.3	164.5	-179.3	0	0	0	0	112.2	F182 Y183 A780 W798 M820 F821 L827	F182-V823 HydrophobicContact CB-CG1 4.49Å; F182-V823 HydrophobicContact CD1-CG1 4.13Å; Y183-V823 HydrophobicContact CD2-CB 4.45Å; Y183-V823 HydrophobicContact CD2-CG2 4.15Å; A780-V823 HydrophobicContact CB-CG1 4.3Å; A780-V823 HydrophobicContact CB-CG2 4.44Å; W798-V823 HydrophobicContact CB-CG2 3.36Å; W798-V823 HydrophobicContact CD2-CG2 3.93Å; W798-V823 HydrophobicContact CG-CG2 3.16Å; M820-V823 PolarHBondContact O-N 2.67Å; F821-V823 VanDerWaalsContact C-N 3.34Å; V823-L827 HydrophobicContact CG1-CD1 3.78Å; V823-L827 HydrophobicContact CG1-CG 4.49Å; V823-L827 WeakPolarHBondContact O-CB 3.3Å; V823-L827 WeakPolarHBondContact O-CG 3.46Å; V823-L827 PolarHBondContact O-N 3.31Å
824	I	93.3	Very high	90.7	Very high	22 Å²	22	16.9 Å²	16.9	11%	0.113	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-48.3	-168.5	-67.5	164.1	0	0	0	110.9	N181 Y712 M820 V826 S828 M845	N181-I824 WeakPolarHBondContact OD1-CD1 3.32Å; Y712-I824 HydrophobicContact CE1-CG2 4.43Å; M820-I824 HydrophobicContact CB-CD1 4.4Å; M820-I824 HydrophobicContact CE-CD1 4.13Å; M820-I824 WeakPolarHBondContact O-CB 3.13Å; M820-I824 WeakPolarHBondContact O-CD1 3.39Å; M820-I824 VanDerWaalsContact O-CG1 3.22Å; M820-I824 WeakPolarHBondContact O-CG1 3.23Å; M820-I824 PolarHBondContact O-N 2.84Å; I824-V826 VanDerWaalsContact C-N 3.34Å; I824-V826 PolarHBondContact O-N 3.04Å; I824-S828 VanDerWaalsContact O-CB 3.24Å; I824-S828 WeakPolarHBondContact O-CB 3.28Å; I824-S828 PolarHBondContact O-N 3.07Å; I824-S828 PolarHBondContact O-OG 3.38Å; I824-S828 VanDerWaalsContact O-OG 3.04Å; I824-M845 HydrophobicContact CB-SD 4.49Å; I824-M845 HydrophobicContact CG1-SD 4.26Å; I824-M845 HydrophobicContact CG2-SD 4.12Å
825	G	93.9	Very high	91.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-39.6	-177.3	0	0	0	0	0	113.4	Q708 Y712 F821 N829	Q708-G825 PolarHBondContact NE2-O 2.72Å; Y712-G825 WeakPolarHBondContact OH-CA 3.11Å; F821-G825 WeakPolarHBondContact O-CA 3.27Å; F821-G825 PolarHBondContact O-N 2.83Å; G825-N829 PolarHBondContact O-ND2 3.07Å; G825-N829 VanDerWaalsContact O-ND2 3.12Å
826	V	94.8	Very high	92	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.2	-52.4	178.3	176	0	0	0	0	111.5	D733 N734 V737 Y779 R822 I824 S828 N829 L830	D733-V826 HydrophobicContact CB-CG2 3.47Å; D733-V826 VanDerWaalsContact CB-CG2 3.47Å; N734-V826 WeakPolarHBondContact OD1-CA 3.3Å; V737-V826 HydrophobicContact CB-CG1 3.91Å; V737-V826 HydrophobicContact CG1-CG1 4.32Å; V737-V826 HydrophobicContact CG2-CG1 3.82Å; Y779-V826 HydrophobicContact CE1-CG1 4.42Å; R822-V826 WeakPolarHBondContact O-CB 3.16Å; R822-V826 WeakPolarHBondContact O-CG2 3.46Å; I824-V826 VanDerWaalsContact C-N 3.34Å; I824-V826 PolarHBondContact O-N 3.04Å; V826-S828 VanDerWaalsContact C-N 3.32Å; V826-S828 PolarHBondContact O-N 2.99Å; V826-N829 WeakPolarHBondContact O-CB 3.29Å; V826-N829 PolarHBondContact O-N 3.03Å; V826-L830 HydrophobicContact CG1-CD1 4.27Å; V826-L830 PolarHBondContact O-N 2.82Å
827	L	95.3	Very high	92.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72	-27.1	-174.1	-61.3	-177.5	0	0	0	112.4	F182 V737 F776 Y779 V823 N829 L830 F833 M845	F182-L827 HydrophobicContact CB-CD1 4.33Å; F182-L827 HydrophobicContact CD1-CD1 3.31Å; F182-L827 HydrophobicContact CE1-CD1 3.83Å; F182-L827 HydrophobicContact CG-CD1 3.98Å; V737-L827 HydrophobicContact CG1-CD2 4.44Å; F776-L827 HydrophobicContact CD1-CD2 3.64Å; F776-L827 HydrophobicContact CE1-CD2 4.15Å; Y779-L827 HydrophobicContact CD1-CD1 4.42Å; Y779-L827 HydrophobicContact CD1-CD2 4.17Å; Y779-L827 HydrophobicContact CD1-CG 4.42Å; Y779-L827 HydrophobicContact CE1-CD2 4.42Å; Y779-L827 HydrophobicContact CE1-CG 4.43Å; V823-L827 HydrophobicContact CG1-CD1 3.78Å; V823-L827 HydrophobicContact CG1-CG 4.49Å; V823-L827 WeakPolarHBondContact O-CB 3.3Å; V823-L827 WeakPolarHBondContact O-CG 3.46Å; V823-L827 PolarHBondContact O-N 3.31Å; L827-N829 PolarHBondContact O-N 2.95Å; L827-L830 HydrophobicContact CD2-CD1 4.26Å; L827-L830 PolarHBondContact O-N 2.99Å; L827-F833 HydrophobicContact CB-CD1 4.06Å; L827-F833 HydrophobicContact CB-CD2 4.02Å; L827-F833 HydrophobicContact CB-CE1 4.37Å; L827-F833 HydrophobicContact CB-CE2 4.29Å; L827-F833 HydrophobicContact CB-CG 3.91Å; L827-F833 HydrophobicContact CB-CZ 4.47Å; L827-F833 HydrophobicContact CD1-CD2 3.97Å; L827-F833 HydrophobicContact CD1-CE2 3.88Å; L827-F833 HydrophobicContact CD2-CB 4.37Å; L827-F833 HydrophobicContact CD2-CD2 3.97Å; L827-F833 HydrophobicContact CD2-CG 4.24Å; L827-F833 HydrophobicContact CG-CD2 4.21Å; L827-F833 HydrophobicContact CG-CG 4.49Å; L827-F833 VanDerWaalsContact O-CD1 3.31Å; L827-F833 WeakPolarHBondContact O-CD1 3.46Å; L827-M845 HydrophobicContact CB-CE 3.58Å
828	S	95	Very high	92.9	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-26.3	167.6	-70.5	0	0	0	0	113.2	I824 V826 Q844 K854	I824-S828 VanDerWaalsContact O-CB 3.24Å; I824-S828 WeakPolarHBondContact O-CB 3.28Å; I824-S828 PolarHBondContact O-N 3.07Å; I824-S828 PolarHBondContact O-OG 3.38Å; I824-S828 VanDerWaalsContact O-OG 3.04Å; V826-S828 VanDerWaalsContact C-N 3.32Å; V826-S828 PolarHBondContact O-N 2.99Å; S828-Q844 PolarHBondContact OG-O 3.28Å; S828-K854 WeakPolarHBondContact O-CD 3.23Å; S828-K854 WeakPolarHBondContact O-CE 3.47Å
829	N	95.1	Very high	93.4	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.08	15%	0.15	C	C	.	.	H	α-helix	trans	-84.2	-22.1	-179.4	-74.9	-17.1	0	0	0	113.4	Q708 N734 G825 V826 L827 R853 K854 C855	Q708-N829 PolarHBondContact NE2-ND2 3.03Å; Q708-N829 PolarHBondContact NE2-OD1 2.82Å; Q708-N829 PolarHBondContact OE1-ND2 3.45Å; N734-N829 VanDerWaalsContact OD1-CB 3.31Å; N734-N829 WeakPolarHBondContact OD1-CB 3.4Å; N734-N829 PolarHBondContact OD1-ND2 3.28Å; G825-N829 PolarHBondContact O-ND2 3.07Å; G825-N829 VanDerWaalsContact O-ND2 3.12Å; V826-N829 WeakPolarHBondContact O-CB 3.29Å; V826-N829 PolarHBondContact O-N 3.03Å; L827-N829 PolarHBondContact O-N 2.95Å; N829-R853 PolarHBondContact OD1-O 3.09Å; N829-K854 VanDerWaalsContact OD1-CA 3.28Å; N829-K854 WeakPolarHBondContact OD1-CA 3.02Å; N829-C855 WeakPolarHBondContact CB-O 3.3Å; N829-C855 VanDerWaalsContact CG-O 3.26Å; N829-C855 PolarHBondContact ND2-O 2.79Å; N829-C855 PolarHBondContact OD1-N 3.41Å
830	L	94.3	Very high	94.2	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	18%	0.181	C	C	.	.			trans	-89.8	123.9	-177.3	-60.6	178	0	0	0	112.6	V737 K738 F776 V826 L827 E832 F833 A834	V737-L830 HydrophobicContact CB-CD1 4.26Å; V737-L830 HydrophobicContact CG1-CD1 3.66Å; K738-L830 HydrophobicContact CB-CD2 3.94Å; K738-L830 HydrophobicContact CD-CD2 4.27Å; K738-L830 HydrophobicContact CG-CD2 4.09Å; F776-L830 HydrophobicContact CE1-CD1 4.09Å; V826-L830 HydrophobicContact CG1-CD1 4.27Å; V826-L830 PolarHBondContact O-N 2.82Å; L827-L830 HydrophobicContact CD2-CD1 4.26Å; L827-L830 PolarHBondContact O-N 2.99Å; L830-E832 VanDerWaalsContact C-N 3.32Å; L830-F833 HydrophobicContact CB-CB 3.98Å; L830-A834 PolarHBondContact O-N 2.93Å
831	D	93.5	Very high	94.5	Very high	105 Å²	105	40.3 Å²	40.3	56%	0.561	20%	0.203	S	C	*	.	H	α-helix	trans	-74.3	-27.5	173.3	-77.1	-24.7	0	0	0	111.6	A834 K835 K854	D831-A834 PolarHBondContact O-N 3.38Å; D831-K835 VanDerWaalsContact O-CB 3.29Å; D831-K835 WeakPolarHBondContact O-CB 3.15Å; D831-K835 PolarHBondContact O-N 3.19Å; D831-K854 IonicContact OD1-NZ 2.63Å; D831-K854 PolarHBondContact OD1-NZ 3.17Å
832	E	94.1	Very high	94.5	Very high	58 Å²	58	41.7 Å²	41.7	27%	0.271	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-42.2	174.3	-60.8	83.2	174.5	0	0	111.5	Y741 F776 L830 T836	Y741-E832 HydrophobicContact CD1-CB 4.08Å; Y741-E832 HydrophobicContact CD1-CG 4Å; Y741-E832 HydrophobicContact CE1-CB 3.75Å; Y741-E832 HydrophobicContact CE1-CG 3.75Å; F776-E832 HydrophobicContact CZ-CB 4.18Å; L830-E832 VanDerWaalsContact C-N 3.32Å; E832-T836 VanDerWaalsContact O-CB 3.25Å; E832-T836 WeakPolarHBondContact O-CB 3.25Å; E832-T836 PolarHBondContact O-N 3Å; E832-T836 PolarHBondContact O-OG1 3.41Å
833	F	95.6	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-52.2	173.1	169.5	-92.2	0	0	0	110.7	F182 F776 L827 L830 K835 T836 F837 M845	F182-F833 HydrophobicContact CB-CE2 4.41Å; F182-F833 HydrophobicContact CB-CZ 4Å; F182-F833 HydrophobicContact CD1-CE2 4.09Å; F182-F833 AromaticContact CD2-CE2 3.53Å; F182-F833 HydrophobicContact CD2-CE2 3.53Å; F182-F833 AromaticContact CD2-CZ 3.49Å; F182-F833 HydrophobicContact CD2-CZ 3.49Å; F182-F833 VanDerWaalsContact CD2-CZ 3.49Å; F182-F833 HydrophobicContact CE1-CE2 4.2Å; F182-F833 AromaticContact CE2-CE2 3.69Å; F182-F833 HydrophobicContact CE2-CE2 3.69Å; F182-F833 HydrophobicContact CE2-CZ 4.06Å; F182-F833 AromaticContact CG-CE2 3.73Å; F182-F833 HydrophobicContact CG-CE2 3.73Å; F182-F833 AromaticContact CG-CZ 3.74Å; F182-F833 HydrophobicContact CG-CZ 3.74Å; F182-F833 HydrophobicContact CZ-CE2 4.02Å; F776-F833 HydrophobicContact CB-CD2 4.05Å; F776-F833 HydrophobicContact CB-CE2 4.43Å; F776-F833 HydrophobicContact CD1-CB 4.25Å; F776-F833 AromaticContact CD1-CD2 3.99Å; F776-F833 HydrophobicContact CD1-CD2 3.99Å; F776-F833 HydrophobicContact CD2-CD2 4.19Å; F776-F833 HydrophobicContact CE1-CB 3.94Å; F776-F833 HydrophobicContact CE2-CB 4.36Å; F776-F833 AromaticContact CG-CD2 3.81Å; F776-F833 HydrophobicContact CG-CD2 3.81Å; F776-F833 HydrophobicContact CZ-CB 4.01Å; L827-F833 HydrophobicContact CB-CD1 4.06Å; L827-F833 HydrophobicContact CB-CD2 4.02Å; L827-F833 HydrophobicContact CB-CE1 4.37Å; L827-F833 HydrophobicContact CB-CE2 4.29Å; L827-F833 HydrophobicContact CB-CG 3.91Å; L827-F833 HydrophobicContact CB-CZ 4.47Å; L827-F833 HydrophobicContact CD1-CD2 3.97Å; L827-F833 HydrophobicContact CD1-CE2 3.88Å; L827-F833 HydrophobicContact CD2-CB 4.37Å; L827-F833 HydrophobicContact CD2-CD2 3.97Å; L827-F833 HydrophobicContact CD2-CG 4.24Å; L827-F833 HydrophobicContact CG-CD2 4.21Å; L827-F833 HydrophobicContact CG-CG 4.49Å; L827-F833 VanDerWaalsContact O-CD1 3.31Å; L827-F833 WeakPolarHBondContact O-CD1 3.46Å; L830-F833 HydrophobicContact CB-CB 3.98Å; F833-K835 VanDerWaalsContact C-N 3.29Å; F833-K835 PolarHBondContact O-N 3.44Å; F833-T836 PolarHBondContact O-N 2.92Å; F833-F837 AromaticContact CD2-CD2 3.8Å; F833-F837 HydrophobicContact CD2-CD2 3.8Å; F833-F837 HydrophobicContact CD2-CE2 4.02Å; F833-F837 AromaticContact CE2-CD2 3.39Å; F833-F837 HydrophobicContact CE2-CD2 3.39Å; F833-F837 AromaticContact CE2-CE2 3.64Å; F833-F837 HydrophobicContact CE2-CE2 3.64Å; F833-F837 HydrophobicContact CE2-CG 4.27Å; F833-F837 AromaticContact CZ-CD2 3.87Å; F833-F837 HydrophobicContact CZ-CD2 3.87Å; F833-F837 HydrophobicContact CZ-CE2 4.47Å; F833-F837 HydrophobicContact CZ-CG 4.34Å; F833-F837 PolarHBondContact O-N 2.61Å; F833-F837 VanDerWaalsContact O-N 3.07Å; F833-M845 HydrophobicContact CE1-CB 3.78Å; F833-M845 HydrophobicContact CE1-CE 4.23Å; F833-M845 HydrophobicContact CZ-CB 4.49Å; F833-M845 HydrophobicContact CZ-CE 4.44Å
834	A	96.2	Very high	94.9	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-38.1	-177.7	0	0	0	0	0	112.2	L830 D831 N838 C839 N846	L830-A834 PolarHBondContact O-N 2.93Å; D831-A834 PolarHBondContact O-N 3.38Å; A834-N838 CarbonylContact O-C 3.56Å; A834-N838 WeakPolarHBondContact O-CA 3.4Å; A834-N838 PolarHBondContact O-N 2.86Å; A834-C839 HydrophobicContact CB-CB 4.26Å; A834-C839 PolarHBondContact O-N 2.68Å; A834-N846 HydrophobicContact CB-CB 3.93Å
835	K	96.2	Very high	95	Very high	160 Å²	160	45.4 Å²	45.4	70%	0.696	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-47.1	171.4	-179.3	-169.4	173.5	-161	0	111.7	D831 F833 F837 N838	D831-K835 VanDerWaalsContact O-CB 3.29Å; D831-K835 WeakPolarHBondContact O-CB 3.15Å; D831-K835 PolarHBondContact O-N 3.19Å; F833-K835 VanDerWaalsContact C-N 3.29Å; F833-K835 PolarHBondContact O-N 3.44Å; K835-F837 VanDerWaalsContact C-N 3.33Å; K835-F837 PolarHBondContact O-N 3.12Å; K835-N838 PolarHBondContact O-N 3.48Å; K835-N838 VanDerWaalsContact O-N 3.12Å
836	T	95.8	Very high	95.1	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-31.1	-174.6	-64.7	0	0	0	0	113.6	D772 Q773 F776 E832 F833	D772-T836 HydrophobicContact CB-CG2 3.67Å; Q773-T836 HydrophobicContact CB-CG2 4.37Å; Q773-T836 HydrophobicContact CG-CG2 3.52Å; Q773-T836 PolarHBondContact NE2-O 3.12Å; F776-T836 HydrophobicContact CD2-CG2 3.93Å; F776-T836 HydrophobicContact CE2-CG2 4.07Å; E832-T836 VanDerWaalsContact O-CB 3.25Å; E832-T836 WeakPolarHBondContact O-CB 3.25Å; E832-T836 PolarHBondContact O-N 3Å; E832-T836 PolarHBondContact O-OG1 3.41Å; F833-T836 PolarHBondContact O-N 2.92Å
837	F	96.2	Very high	95	Very high	25 Å²	25	46.5 Å²	46.5	11%	0.11	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.8	173.1	-70.6	-86.2	0	0	0	114	P178 F182 Y185 Q773 F776 F833 K835 C839	P178-F837 HydrophobicContact CB-CD1 3.89Å; P178-F837 HydrophobicContact CB-CE1 4.4Å; P178-F837 HydrophobicContact CB-CG 4.39Å; P178-F837 HydrophobicContact CG-CD1 3.97Å; F182-F837 HydrophobicContact CE2-CD1 4.22Å; F182-F837 HydrophobicContact CE2-CD2 4.2Å; F182-F837 AromaticContact CE2-CE1 3.75Å; F182-F837 HydrophobicContact CE2-CE1 3.75Å; F182-F837 AromaticContact CE2-CE2 3.72Å; F182-F837 HydrophobicContact CE2-CE2 3.72Å; F182-F837 HydrophobicContact CE2-CG 4.44Å; F182-F837 AromaticContact CE2-CZ 3.48Å; F182-F837 HydrophobicContact CE2-CZ 3.48Å; F182-F837 VanDerWaalsContact CE2-CZ 3.48Å; F182-F837 HydrophobicContact CZ-CE1 4.35Å; F182-F837 AromaticContact CZ-CE2 3.93Å; F182-F837 HydrophobicContact CZ-CE2 3.93Å; F182-F837 AromaticContact CZ-CZ 3.69Å; F182-F837 HydrophobicContact CZ-CZ 3.69Å; Y185-F837 HydrophobicContact CE1-CE1 4.43Å; Q773-F837 HydrophobicContact CB-CE1 4.25Å; Q773-F837 HydrophobicContact CB-CZ 3.84Å; Q773-F837 HydrophobicContact CG-CD1 4.46Å; Q773-F837 HydrophobicContact CG-CE1 3.91Å; Q773-F837 HydrophobicContact CG-CE2 4.19Å; Q773-F837 HydrophobicContact CG-CZ 3.75Å; F776-F837 HydrophobicContact CB-CE2 3.96Å; F776-F837 HydrophobicContact CD2-CE2 4.18Å; F776-F837 HydrophobicContact CG-CE2 4.44Å; F833-F837 AromaticContact CD2-CD2 3.8Å; F833-F837 HydrophobicContact CD2-CD2 3.8Å; F833-F837 HydrophobicContact CD2-CE2 4.02Å; F833-F837 AromaticContact CE2-CD2 3.39Å; F833-F837 HydrophobicContact CE2-CD2 3.39Å; F833-F837 AromaticContact CE2-CE2 3.64Å; F833-F837 HydrophobicContact CE2-CE2 3.64Å; F833-F837 HydrophobicContact CE2-CG 4.27Å; F833-F837 AromaticContact CZ-CD2 3.87Å; F833-F837 HydrophobicContact CZ-CD2 3.87Å; F833-F837 HydrophobicContact CZ-CE2 4.47Å; F833-F837 HydrophobicContact CZ-CG 4.34Å; F833-F837 PolarHBondContact O-N 2.61Å; F833-F837 VanDerWaalsContact O-N 3.07Å; K835-F837 VanDerWaalsContact C-N 3.33Å; K835-F837 PolarHBondContact O-N 3.12Å; F837-C839 VanDerWaalsContact C-N 3.28Å; F837-C839 PolarHBondContact O-N 3.44Å
838	N	96.5	Very high	94.7	Very high	135 Å²	135	49.6 Å²	49.6	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	36.8	-178	-61.3	-91.2	0	0	0	113.9	A834 K835 K840	A834-N838 CarbonylContact O-C 3.56Å; A834-N838 WeakPolarHBondContact O-CA 3.4Å; A834-N838 PolarHBondContact O-N 2.86Å; K835-N838 PolarHBondContact O-N 3.48Å; K835-N838 VanDerWaalsContact O-N 3.12Å; N838-K840 PolarHBondContact O-N 2.85Å
839	C	96.9	Very high	94.1	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.054	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.9	123.9	-177.7	-58.4	0	0	0	0	111.9	C179 A834 F837 N846	C179-C839 WeakPolarHBondContact CA-SG 3.25Å; C179-C839 HydrophobicContact CB-CB 3.59Å; C179-C839 WeakPolarHBondContact CB-SG 3.29Å; C179-C839 WeakPolarHBondContact SG-CA 3.5Å; C179-C839 WeakPolarHBondContact SG-CB 3.24Å; C179-C839 CovalentContact SG-SG 2.04Å; C179-C839 PolarHBondContact SG-SG 3.31Å; A834-C839 HydrophobicContact CB-CB 4.26Å; A834-C839 PolarHBondContact O-N 2.68Å; F837-C839 VanDerWaalsContact C-N 3.28Å; F837-C839 PolarHBondContact O-N 3.44Å; C839-N846 HydrophobicContact CB-CB 3.84Å; C839-N846 PolarHBondContact O-ND2 3.4Å
840	K	95.8	Very high	93.4	Very high	168 Å²	168	58.9 Å²	58.9	73%	0.73	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-65.8	138.9	-178.9	-66.2	170	-174.6	164	0	110.7	N838 G842 S843	N838-K840 PolarHBondContact O-N 2.85Å; K840-G842 PolarHBondContact O-N 3.31Å; K840-S843 WeakPolarHBondContact O-CB 3.45Å; K840-S843 PolarHBondContact O-N 2.82Å
841	P	94.1	Very high	92.6	Very high	101 Å²	101	61.5 Å²	61.5	66%	0.656	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.1	173	-25	34.3	0	0	0	111.2	L848	P841-L848 HydrophobicContact CB-CD2 3.56Å
842	G	92	Very high	91.7	Very high	40 Å²	40	65.5 Å²	65.5	41%	0.412	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-4.9	-175.2	0	0	0	0	0	115.7	K840 N846	K840-G842 PolarHBondContact O-N 3.31Å; G842-N846 PolarHBondContact N-O 2.82Å
843	S	94.6	Very high	91	Very high	9 Å²	9	66 Å²	66	6%	0.063	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-67.1	160.7	165.7	87.9	0	0	0	0	110.4	C179 E180 K840 M845 N846	C179-S843 VanDerWaalsContact O-CB 3.26Å; C179-S843 WeakPolarHBondContact O-CB 3.41Å; C179-S843 PolarHBondContact O-OG 2.75Å; E180-S843 VanDerWaalsContact OE1-CB 3.29Å; E180-S843 WeakPolarHBondContact OE1-CB 3.36Å; K840-S843 WeakPolarHBondContact O-CB 3.45Å; K840-S843 PolarHBondContact O-N 2.82Å; S843-M845 VanDerWaalsContact C-N 3.26Å; S843-M845 PolarHBondContact O-N 3.12Å; S843-N846 CarbonylContact O-C 3.52Å; S843-N846 PolarHBondContact O-N 3.38Å; S843-N846 PolarHBondContact OG-N 3.03Å
844	Q	93.3	Very high	90.7	Very high	99 Å²	99	68.2 Å²	68.2	46%	0.463	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.1	-177.6	-62.1	-64.5	-1	0	0	113.3	E180 S828	E180-Q844 WeakPolarHBondContact O-CB 3.39Å; E180-Q844 VanDerWaalsContact OE2-CG 3.3Å; E180-Q844 WeakPolarHBondContact OE2-CG 3.25Å; S828-Q844 PolarHBondContact OG-O 3.28Å
845	M	95.3	Very high	90.6	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.6	174.3	-52.7	-63.5	-48.3	0	0	113.8	P178 C179 F182 I824 L827 F833 S843	P178-M845 WeakPolarHBondContact O-CG 3.48Å; C179-M845 VanDerWaalsContact O-CB 3.29Å; C179-M845 WeakPolarHBondContact O-CB 3.23Å; C179-M845 WeakPolarHBondContact O-CG 3.27Å; C179-M845 PolarHBondContact O-N 3.27Å; F182-M845 HydrophobicContact CB-CE 3.76Å; F182-M845 HydrophobicContact CB-CG 4.39Å; F182-M845 HydrophobicContact CB-SD 4.14Å; I824-M845 HydrophobicContact CB-SD 4.49Å; I824-M845 HydrophobicContact CG1-SD 4.26Å; I824-M845 HydrophobicContact CG2-SD 4.12Å; L827-M845 HydrophobicContact CB-CE 3.58Å; F833-M845 HydrophobicContact CE1-CB 3.78Å; F833-M845 HydrophobicContact CE1-CE 4.23Å; F833-M845 HydrophobicContact CZ-CB 4.49Å; F833-M845 HydrophobicContact CZ-CE 4.44Å; S843-M845 VanDerWaalsContact C-N 3.26Å; S843-M845 PolarHBondContact O-N 3.12Å
846	N	96.2	Very high	90.4	Very high	20 Å²	20	63.6 Å²	63.6	11%	0.107	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-141.5	64.9	170.1	-169	17.8	0	0	0	111.6	A834 C839 G842 S843 K854	A834-N846 HydrophobicContact CB-CB 3.93Å; C839-N846 HydrophobicContact CB-CB 3.84Å; C839-N846 PolarHBondContact O-ND2 3.4Å; G842-N846 PolarHBondContact N-O 2.82Å; S843-N846 CarbonylContact O-C 3.52Å; S843-N846 PolarHBondContact O-N 3.38Å; S843-N846 PolarHBondContact OG-N 3.03Å; N846-K854 VanDerWaalsContact OD1-CE 3.25Å; N846-K854 WeakPolarHBondContact OD1-CE 3.29Å; N846-K854 PolarHBondContact OD1-NZ 3.24Å
847	P	93.2	Very high	90.3	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.019	34%	0.34	C	S	.	.			trans	-59.3	150.2	-177.5	18	-27.6	0	0	0	113.3	R853 K854	P847-R853 HydrophobicContact CB-CB 3.69Å; P847-R853 HydrophobicContact CG-CB 3.89Å; P847-K854 HydrophobicContact CG-CG 3.77Å; P847-K854 WeakPolarHBondContact O-CE 3.26Å
848	L	89	Confident	90.2	Very high	65 Å²	65	62.4 Å²	62.4	34%	0.34	34%	0.336	S	S	.	.			trans	-73.9	149.6	177.6	-64.8	174.5	0	0	0	110.7	P841 S850 D851	P841-L848 HydrophobicContact CB-CD2 3.56Å; L848-S850 WeakPolarHBondContact CB-OG 3.38Å; L848-S850 PolarHBondContact O-N 2.99Å; L848-S850 VanDerWaalsContact O-N 3.12Å; L848-D851 PolarHBondContact N-OD2 3.25Å; L848-D851 VanDerWaalsContact O-CB 3.31Å; L848-D851 WeakPolarHBondContact O-CB 3.31Å; L848-D851 PolarHBondContact O-N 2.75Å
849	P	81.3	Confident	89.9	Confident	120 Å²	120	58.8 Å²	58.8	78%	0.779	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-56.8	-27.5	174	-26.6	35.3	0	0	0	113.9	D851 R852	P849-D851 PolarHBondContact O-N 3.05Å; P849-R852 PolarHBondContact O-N 2.04Å
850	S	81.2	Confident	89.5	Confident	94 Å²	94	61.4 Å²	61.4	66%	0.657	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.1	172.7	47	0	0	0	0	113.8	L848 R852	L848-S850 WeakPolarHBondContact CB-OG 3.38Å; L848-S850 PolarHBondContact O-N 2.99Å; L848-S850 VanDerWaalsContact O-N 3.12Å; S850-R852 VanDerWaalsContact C-N 3.26Å; S850-R852 PolarHBondContact O-N 3.11Å
851	D	77.4	Confident	89.2	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.332	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-79.7	-14.1	-170.7	-53.9	-1.3	0	0	0	111.9	L848 P849 R853	L848-D851 PolarHBondContact N-OD2 3.25Å; L848-D851 VanDerWaalsContact O-CB 3.31Å; L848-D851 WeakPolarHBondContact O-CB 3.31Å; L848-D851 PolarHBondContact O-N 2.75Å; P849-D851 PolarHBondContact O-N 3.05Å; D851-R853 HydrophobicContact CB-CB 4.15Å; D851-R853 HydrophobicContact CB-CG 3.91Å; D851-R853 PolarHBondContact O-N 2.78Å; D851-R853 VanDerWaalsContact O-N 3.13Å; D851-R853 IonicContact OD2-CZ 3.68Å; D851-R853 IonicContact OD2-NE 2.77Å; D851-R853 PolarHBondContact OD2-NE 2.73Å; D851-R853 IonicContact OD2-NH2 2.71Å; D851-R853 PolarHBondContact OD2-NH2 2.92Å
852	R	75	Confident	88.9	Confident	189 Å²	189	52.8 Å²	52.8	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	24.2	-168.3	-58.4	-175.5	175.3	-163.7	-2.9	114.1	P849 S850	P849-R852 PolarHBondContact O-N 2.04Å; S850-R852 VanDerWaalsContact C-N 3.26Å; S850-R852 PolarHBondContact O-N 3.11Å
853	R	79.9	Confident	88.7	Confident	69 Å²	69	53.6 Å²	53.6	26%	0.26	28%	0.28	S	S	.	.			trans	-93.7	-4	178.2	-66.3	-172.3	-63	150.8	-5.8	114.2	N829 P847 D851	N829-R853 PolarHBondContact OD1-O 3.09Å; P847-R853 HydrophobicContact CB-CB 3.69Å; P847-R853 HydrophobicContact CG-CB 3.89Å; D851-R853 HydrophobicContact CB-CB 4.15Å; D851-R853 HydrophobicContact CB-CG 3.91Å; D851-R853 PolarHBondContact O-N 2.78Å; D851-R853 VanDerWaalsContact O-N 3.13Å; D851-R853 IonicContact OD2-CZ 3.68Å; D851-R853 IonicContact OD2-NE 2.77Å; D851-R853 PolarHBondContact OD2-NE 2.73Å; D851-R853 IonicContact OD2-NH2 2.71Å; D851-R853 PolarHBondContact OD2-NH2 2.92Å
854	K	89.3	Confident	88.3	Confident	46 Å²	46	56.6 Å²	56.6	20%	0.2	29%	0.294	C	S	.	.			trans	-99.1	120.5	166.5	-70.7	-146.1	-177.6	-158.6	0	109.9	S828 N829 D831 N846 P847	S828-K854 WeakPolarHBondContact O-CD 3.23Å; S828-K854 WeakPolarHBondContact O-CE 3.47Å; N829-K854 VanDerWaalsContact OD1-CA 3.28Å; N829-K854 WeakPolarHBondContact OD1-CA 3.02Å; D831-K854 IonicContact OD1-NZ 2.63Å; D831-K854 PolarHBondContact OD1-NZ 3.17Å; N846-K854 VanDerWaalsContact OD1-CE 3.25Å; N846-K854 WeakPolarHBondContact OD1-CE 3.29Å; N846-K854 PolarHBondContact OD1-NZ 3.24Å; P847-K854 HydrophobicContact CG-CG 3.77Å; P847-K854 WeakPolarHBondContact O-CE 3.26Å
855	C	93.9	Very high	88	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.041	28%	0.282	C	S	.	.			trans	-122.6	143.4	178.1	-59.4	0	0	0	0	110.6	C704 I705 N829	C704-C855 HydrophobicContact CB-CB 3.79Å; C704-C855 WeakPolarHBondContact CB-SG 3.45Å; C704-C855 PolarHBondContact O-SG 2.76Å; C704-C855 VanDerWaalsContact SG-CA 3.51Å; C704-C855 WeakPolarHBondContact SG-CB 3.4Å; C704-C855 CovalentContact SG-SG 2.04Å; C704-C855 PolarHBondContact SG-SG 3.01Å; I705-C855 HydrophobicContact CD1-CB 3.59Å; I705-C855 HydrophobicContact CG1-CB 4.07Å; N829-C855 WeakPolarHBondContact CB-O 3.3Å; N829-C855 VanDerWaalsContact CG-O 3.26Å; N829-C855 PolarHBondContact ND2-O 2.79Å; N829-C855 PolarHBondContact OD1-N 3.41Å
856	S	91.8	Very high	87.4	Confident	63 Å²	63	57.6 Å²	57.6	44%	0.441	30%	0.304	S	S	.	.			trans	-146.4	126.9	177.2	-177.9	0	0	0	0	108.4	R701 K738	R701-S856 WeakPolarHBondContact CD-O 3.45Å; R701-S856 WeakPolarHBondContact CG-O 3.02Å; K738-S856 PolarHBondContact NZ-OG 3.11Å
857	V	94.5	Very high	86.7	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.036	32%	0.32	C	S	.	.			trans	-107.1	-63.8	177	-171.6	0	0	0	0	108	W525 F698 R701 T702 I705 I731	W525-V857 VanDerWaalsContact CE2-O 3.31Å; W525-V857 WeakPolarHBondContact CZ2-O 3.41Å; W525-V857 PolarHBondContact NE1-O 3.35Å; F698-V857 HydrophobicContact CD2-CG1 3.73Å; F698-V857 HydrophobicContact CE2-CG1 3.6Å; R701-V857 HydrophobicContact CB-CB 4.4Å; R701-V857 HydrophobicContact CB-CG1 4.36Å; R701-V857 HydrophobicContact CB-CG2 4.05Å; T702-V857 HydrophobicContact CG2-CG1 4.45Å; I705-V857 HydrophobicContact CG1-CG2 3.97Å; I731-V857 HydrophobicContact CG1-CG2 4.27Å; I731-V857 HydrophobicContact CG2-CB 4.35Å; I731-V857 HydrophobicContact CG2-CG1 4.37Å; I731-V857 HydrophobicContact CG2-CG2 4.41Å
858	W	93.6	Very high	86.1	Confident	6 Å²	6	66 Å²	66	2%	0.023	35%	0.347	C	S	.	.			trans	-101.6	0	172.6	-53.6	105.6	0	0	0	108.4	F516 L519 V520 L523 W525 M526 T670 F673 W690 F698 A735 K738	F516-W858 HydrophobicContact CE2-CD2 4.4Å; F516-W858 HydrophobicContact CE2-CE3 4.19Å; F516-W858 HydrophobicContact CZ-CE3 4.27Å; F516-W858 HydrophobicContact CZ-CZ3 4.48Å; L519-W858 WeakPolarHBondContact CD1-OXT 3.32Å; L519-W858 HydrophobicContact CD2-CB 3.97Å; L519-W858 VanDerWaalsContact CD2-OXT 3.3Å; L519-W858 WeakPolarHBondContact CD2-OXT 3.21Å; L519-W858 WeakPolarHBondContact CG-OXT 3.3Å; V520-W858 HydrophobicContact CG2-CE3 4.16Å; V520-W858 HydrophobicContact CG2-CZ3 4.21Å; L523-W858 HydrophobicContact CD1-CE3 3.78Å; L523-W858 HydrophobicContact CD1-CZ3 4.03Å; L523-W858 WeakPolarHBondContact CD2-OXT 3.18Å; W525-W858 HydrophobicContact CH2-CH2 4.2Å; W525-W858 HydrophobicContact CZ2-CE3 4.5Å; W525-W858 HydrophobicContact CZ2-CH2 4.34Å; W525-W858 HydrophobicContact CZ2-CZ3 4.3Å; M526-W858 HydrophobicContact CE-CH2 4.26Å; M526-W858 HydrophobicContact CE-CZ3 3.68Å; M526-W858 HydrophobicContact SD-CZ3 4.48Å; T670-W858 HydrophobicContact CG2-CG 4.43Å; F673-W858 HydrophobicContact CB-CD2 4.41Å; F673-W858 HydrophobicContact CB-CH2 4.04Å; F673-W858 HydrophobicContact CB-CZ2 3.49Å; F673-W858 VanDerWaalsContact CB-CZ2 3.49Å; F673-W858 HydrophobicContact CD1-CH2 4.41Å; F673-W858 HydrophobicContact CG-CZ2 4.43Å; F673-W858 VanDerWaalsContact O-CZ2 3.29Å; F673-W858 WeakPolarHBondContact O-CZ2 3.47Å; F673-W858 PolarHBondContact O-NE1 3.31Å; W690-W858 AromaticContact CH2-CH2 3.73Å; W690-W858 HydrophobicContact CH2-CH2 3.73Å; W690-W858 AromaticContact CH2-CZ2 3.94Å; W690-W858 HydrophobicContact CH2-CZ2 3.94Å; W690-W858 HydrophobicContact CZ2-CH2 4.45Å; F698-W858 HydrophobicContact CD2-CZ2 4.14Å; F698-W858 AromaticContact CE2-CZ2 3.76Å; F698-W858 HydrophobicContact CE2-CZ2 3.76Å; A735-W858 HydrophobicContact CB-CB 3.76Å; A735-W858 HydrophobicContact CB-CG 4.37Å; K738-W858 WeakPolarHBondContact CD-O 3.42Å; K738-W858 PolarHBondContact NZ-O 3.17Å; K738-W858 PolarHBondContact NZ-OXT 3.29Å

Retrieved 858 of 858 residues in 258 ms (Link to these results)

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