A0A2K6D425_MACNE Loading...

Guanine nucleotide-binding protein G(i) subunit alpha-1

AlphaFold DB , UniProt , Accession A0A2K6D425, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene GNAI1, Length 422 aa.

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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	41	Very low	30.2	Very low	233 Å²	233	162.9 Å²	162.9	100%	1.148	84%	0.837	S	S	*	*				0	98.1	0	-66.2	157.7	173.6	0	0	105.9
2	L	28.6	Very low	29.9	Very low	153 Å²	153	161.7 Å²	161.7	80%	0.801	83%	0.833	S	S	*	*				55.4	123.3	66.6	-60.1	165.1	0	0	0	110.5
3	K	27.4	Very low	29.9	Very low	188 Å²	188	165.2 Å²	165.2	82%	0.817	84%	0.839	S	S	*	*			cis	-164.6	155.3	5.1	-133.9	174.8	-175.7	-176.8	0	110.8
4	R	34.7	Very low	29.5	Very low	231 Å²	231	157.8 Å²	157.8	87%	0.872	83%	0.825	S	S	*	*			trans	-75.5	156.8	148.1	-74.4	-174	176.5	-166.8	0.1	109.1
5	P	41.6	Very low	29.3	Very low	104 Å²	104	155.3 Å²	155.3	68%	0.675	83%	0.826	S	S	*	*				-130.2	150.5	110.5	4.8	18.2	0	0	0	111.8
6	E	28.2	Very low	29.2	Very low	175 Å²	175	152.3 Å²	152.3	82%	0.818	82%	0.821	S	S	*	*				70.1	124.2	70.6	-59.7	175.7	147.5	0	0	113.4
7	L	26.9	Very low	29.2	Very low	167 Å²	167	150.7 Å²	150.7	87%	0.874	82%	0.821	S	S	*	*				72.7	95.1	53.7	-92.1	168	0	0	0	116
8	A	27.9	Very low	29.3	Very low	93 Å²	93	149.5 Å²	149.5	77%	0.769	82%	0.819	S	S	*	*			trans	177.3	132.7	140	0	0	0	0	0	108.1
9	F	24.9	Very low	29.4	Very low	177 Å²	177	148.2 Å²	148.2	78%	0.776	82%	0.818	S	S	*	*			cis	88.2	129	49.7	-109.1	-64.8	0	0	0	116.3
10	F	26.1	Very low	29.3	Very low	192 Å²	192	147.6 Å²	147.6	84%	0.842	82%	0.819	S	S	*	*			trans	69.5	132.4	167.9	-77.1	-73.3	0	0	0	120.9
11	G	25.3	Very low	29.6	Very low	79 Å²	79	152.6 Å²	152.6	81%	0.814	83%	0.826	S	S	*	*			trans	174.8	74.9	175.5	0	0	0	0	0	112
12	N	26.6	Very low	29	Very low	148 Å²	148	153 Å²	153	79%	0.791	81%	0.814	S	S	*	*			trans	-92.6	118.7	-170.1	-157.9	14.2	0	0	0	112.1
13	F	29.3	Very low	28.9	Very low	207 Å²	207	149.1 Å²	149.1	91%	0.908	81%	0.812	S	S	*	*			trans	-152	132.4	158.8	-85.6	-82.7	0	0	0	107.1
14	G	24.4	Very low	28.9	Very low	62 Å²	62	150.5 Å²	150.5	64%	0.639	81%	0.812	S	S	*	*			cis	119.8	56.1	6.8	0	0	0	0	0	113.1
15	S	27.2	Very low	28.5	Very low	121 Å²	121	148.7 Å²	148.7	85%	0.846	81%	0.81	S	S	*	*			trans	-179.7	134.4	147.3	32.2	0	0	0	0	113.1
16	S	27.1	Very low	27.8	Very low	106 Å²	106	154.2 Å²	154.2	74%	0.741	82%	0.818	S	S	*	*			trans	-71.4	161.4	165.8	48.4	0	0	0	0	112.1
17	P	30.1	Very low	27.7	Very low	126 Å²	126	157.7 Å²	157.7	82%	0.818	82%	0.823	S	S	*	*				-134.2	149.2	109.2	36.3	-27.8	0	0	0	115
18	T	29.5	Very low	27.6	Very low	129 Å²	129	152.2 Å²	152.2	79%	0.791	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.9	164.4	175.2	26.7	0	0	0	0	113.2
19	P	31.2	Very low	27.7	Very low	124 Å²	124	160 Å²	160	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.2	139.9	-149.3	32.9	-36.3	0	0	0	114.6
20	T	28.1	Very low	27.8	Very low	136 Å²	136	162.8 Å²	162.8	83%	0.834	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-83.5	127.2	166.4	42	0	0	0	0	111.1	R22	T20-R22 PolarHBondContact O-N 2.99Å
21	R	34.9	Very low	28.1	Very low	253 Å²	253	156.1 Å²	156.1	96%	0.955	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-50	117.6	175.4	-74.7	171.6	162.4	-179.7	-6	111.5
22	R	28.7	Very low	28.5	Very low	242 Å²	242	158.6 Å²	158.6	91%	0.913	81%	0.809	S	S	*	*			trans	-120.8	119.5	151.8	-75	-169.3	173.9	-167.7	-1	109.2	T20	T20-R22 PolarHBondContact O-N 2.99Å
23	G	26.9	Very low	28.5	Very low	72 Å²	72	161.7 Å²	161.7	74%	0.742	81%	0.81	S	S	*	*			trans	-65.5	146.2	-170	0	0	0	0	0	113.1	K25	G23-K25 PolarHBondContact O-N 3.42Å; G23-K25 VanDerWaalsContact O-N 3.1Å
24	R	28.3	Very low	28.6	Very low	217 Å²	217	163.8 Å²	163.8	82%	0.819	81%	0.812	S	S	*	*			trans	-54.4	113.6	171.3	-58	178	-170.5	-164	1.4	108.9	W26	R24-W26 VanDerWaalsContact C-N 3.29Å; R24-W26 PolarHBondContact O-N 3.2Å
25	K	25	Very low	28.7	Very low	193 Å²	193	168.5 Å²	168.5	84%	0.839	82%	0.817	S	S	*	*			trans	-74.9	88.6	166.1	-81.9	-171.8	176	-179.4	0	108.4	G23 W27	G23-K25 PolarHBondContact O-N 3.42Å; G23-K25 VanDerWaalsContact O-N 3.1Å; K25-W27 PolarHBondContact O-N 3.37Å
26	W	27	Very low	28.7	Very low	220 Å²	220	167 Å²	167	83%	0.833	81%	0.812	S	S	*	*			trans	-59.2	122.4	162.8	-70	81.8	0	0	0	108.7	R24 G28	R24-W26 VanDerWaalsContact C-N 3.29Å; R24-W26 PolarHBondContact O-N 3.2Å; W26-G28 PolarHBondContact O-N 3.31Å
27	W	26.2	Very low	28.6	Very low	248 Å²	248	172 Å²	172	94%	0.939	82%	0.821	S	S	*	*			trans	-76.4	69.1	168	-71.1	100.2	0	0	0	109.5	K25 W29	K25-W27 PolarHBondContact O-N 3.37Å; W27-W29 PolarHBondContact O-N 3.11Å
28	G	25.6	Very low	28.5	Very low	51 Å²	51	175.2 Å²	175.2	53%	0.526	83%	0.825	S	S	.	*			trans	-63.8	132	168.6	0	0	0	0	0	109.9	W26 R30	W26-G28 PolarHBondContact O-N 3.31Å; G28-R30 PolarHBondContact O-N 3.37Å
29	W	29.6	Very low	28.5	Very low	258 Å²	258	180.8 Å²	180.8	98%	0.977	83%	0.831	S	S	*	*			trans	-48.7	110	167.2	-107.2	65.8	0	0	0	109.7	W27	W27-W29 PolarHBondContact O-N 3.11Å
30	R	27.6	Very low	28.4	Very low	234 Å²	234	180.4 Å²	180.4	88%	0.883	83%	0.829	S	S	*	*			trans	-97.7	109.2	167	-71.2	-173.7	-176.7	-97.9	2.4	107.5	G28	G28-R30 PolarHBondContact O-N 3.37Å
31	G	32.4	Very low	28.4	Very low	52 Å²	52	182.4 Å²	182.4	54%	0.536	83%	0.833	S	S	.	*	P	Polyproline II helix	trans	-61.6	159.5	169.6	0	0	0	0	0	111.5	R33	G31-R33 PolarHBondContact O-N 3.49Å
32	P	33.5	Very low	28.1	Very low	132 Å²	132	182 Å²	182	86%	0.857	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-57.7	134.8	176.7	-22.4	33.5	0	0	0	111.4
33	R	26.5	Very low	28.1	Very low	212 Å²	212	177.4 Å²	177.4	80%	0.8	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67	136.5	171.4	-70.6	-174.1	179.6	-157.1	2.4	109.6	G31	G31-R33 PolarHBondContact O-N 3.49Å
34	R	31.1	Very low	28.1	Very low	251 Å²	251	183.7 Å²	183.7	95%	0.947	82%	0.822	S	S	*	*			trans	-88	109.9	163.9	-73.4	-174.3	174.3	-159	-0.9	109.5
35	E	27.1	Very low	28	Very low	162 Å²	162	181.3 Å²	181.3	76%	0.757	82%	0.817	S	S	*	*			trans	-136	133.8	156.8	-71.7	172.3	-156.4	0	0	104.5
36	A	26.1	Very low	28.2	Very low	89 Å²	89	178 Å²	178	74%	0.736	81%	0.809	S	S	*	*			cis	-151.4	157.5	-0.6	0	0	0	0	0	109.7
37	F	25.5	Very low	28.5	Very low	212 Å²	212	172.1 Å²	172.1	93%	0.93	80%	0.801	S	S	*	*			trans	167.9	89.4	137.7	-104.8	-76.8	0	0	0	110.6
38	E	27.5	Very low	28.9	Very low	192 Å²	192	165.6 Å²	165.6	90%	0.897	79%	0.791	S	S	*	*			trans	-146.2	120.1	155.9	-84.8	-164.3	161.3	0	0	109
39	R	29.1	Very low	29.4	Very low	247 Å²	247	168.8 Å²	168.8	93%	0.932	80%	0.8	S	S	*	*			trans	-156.3	154	154.8	-84.5	-137.8	-179.9	-159.3	-0.1	109.2
40	P	30.2	Very low	29.8	Very low	115 Å²	115	165.2 Å²	165.2	75%	0.747	80%	0.799	S	S	*	*				-113.8	161.5	-125.7	37.8	-32.6	0	0	0	115.6
41	L	27	Very low	30.4	Very low	178 Å²	178	156.2 Å²	156.2	93%	0.932	78%	0.779	S	S	*	*			trans	-68.4	132.7	168.4	-81.3	153.7	0	0	0	111.6
42	R	28.5	Very low	30.6	Very low	245 Å²	245	158 Å²	158	93%	0.925	79%	0.789	S	S	*	*			trans	-127.8	149.5	159.6	-95.8	-169.8	173.8	-156.6	-1.2	110
43	E	29.4	Very low	31	Very low	145 Å²	145	163 Å²	163	68%	0.678	79%	0.79	S	S	*	*			trans	-82	162.4	-167.8	-76.9	-167.6	154.6	0	0	116.4
44	R	26.3	Very low	31.9	Very low	204 Å²	204	158.5 Å²	158.5	77%	0.77	79%	0.787	S	S	*	*			trans	68.5	147.1	158.4	-69.3	161.9	-145.7	-112	-1.8	114.3
45	K	27.7	Very low	32.4	Very low	167 Å²	167	156.1 Å²	156.1	73%	0.726	78%	0.778	S	S	*	*			cis	-160.1	170.7	8	-125.3	177.1	165.4	-122.4	0	106.5
46	D	29.1	Very low	33.1	Very low	123 Å²	123	151.4 Å²	151.4	66%	0.658	77%	0.766	S	S	*	*			cis	-153	-174.2	3.6	-145.4	-26.8	0	0	0	109.8
47	S	32.7	Very low	33.9	Very low	97 Å²	97	157.2 Å²	157.2	68%	0.678	77%	0.769	S	S	*	*			trans	-88.3	151.4	175	-174.4	0	0	0	0	113.2
48	P	34.7	Very low	34.7	Very low	112 Å²	112	157.3 Å²	157.3	73%	0.727	76%	0.763	S	S	*	*				-148.6	176.4	111.2	35.5	-17.3	0	0	0	116.9
49	V	35	Very low	35.3	Very low	117 Å²	117	154.7 Å²	154.7	71%	0.709	75%	0.751	S	S	*	*			trans	85.7	80.8	162.6	-160.8	0	0	0	0	117.7	G51	V49-G51 PolarHBondContact O-N 3.28Å
50	L	39.3	Very low	35.9	Very low	184 Å²	184	152.8 Å²	152.8	96%	0.963	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	103.5	137.5	-85.1	67.7	0	0	0	109.2
51	G	39.6	Very low	36.4	Very low	45 Å²	45	157.5 Å²	157.5	46%	0.464	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-160.6	-32.2	175.9	0	0	0	0	0	114.9	V49	V49-G51 PolarHBondContact O-N 3.28Å
52	A	37.3	Very low	36.8	Very low	88 Å²	88	157 Å²	157	73%	0.727	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-14.8	-176.2	0	0	0	0	0	115.3
53	R	41.5	Very low	37.2	Very low	237 Å²	237	149.5 Å²	149.5	89%	0.894	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-7.2	-170.1	-81.9	-174	170.5	-173.5	-2.9	116.1
54	T	45.3	Very low	37.8	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.724	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-15.7	-177.7	39	0	0	0	0	114.9
55	R	40.7	Very low	38.6	Very low	202 Å²	202	143.6 Å²	143.6	76%	0.762	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-48.6	179.9	-145.5	170.3	-175.3	168.5	1	112.6	R57 R58	R55-R57 PolarHBondContact O-N 3.36Å; R55-R58 PolarHBondContact O-N 2.89Å; R55-R58 VanDerWaalsContact O-N 3.14Å
56	A	41.8	Very low	39.3	Very low	62 Å²	62	144.4 Å²	144.4	51%	0.512	74%	0.739	S	S	.	*	H	α-helix	trans	-63.9	-12.3	-179.3	0	0	0	0	0	115.4
57	R	43.4	Very low	39.6	Very low	211 Å²	211	141.8 Å²	141.8	80%	0.796	74%	0.741	S	S	*	*	H	α-helix	trans	-90.1	-12.3	178.6	-127.8	-179.1	-174.3	-164.5	1.3	113.8	R55	R55-R57 PolarHBondContact O-N 3.36Å
58	R	42.4	Very low	40.3	Very low	215 Å²	215	145.5 Å²	145.5	81%	0.811	75%	0.753	S	S	*	*	H	α-helix	trans	-90.7	-38.5	-179.6	-136.9	175.5	-173.7	-174.2	1.2	112.3	R55 R60 R61	R55-R58 PolarHBondContact O-N 2.89Å; R55-R58 VanDerWaalsContact O-N 3.14Å; R58-R60 PolarHBondContact O-N 2.95Å; R58-R61 PolarHBondContact O-N 3.25Å
59	E	39.8	Very low	40.7	Very low	136 Å²	136	148.8 Å²	148.8	64%	0.636	76%	0.761	S	S	*	*	H	α-helix	trans	-66.7	-35.5	178.1	-71.4	162.2	-179.9	0	0	112.6	R61 Q62	E59-R61 PolarHBondContact O-N 3.11Å; E59-R61 VanDerWaalsContact O-N 3.14Å; E59-Q62 PolarHBondContact O-N 3.31Å
60	R	43.1	Very low	40.9	Very low	207 Å²	207	145.9 Å²	145.9	78%	0.781	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-8.7	175.2	-69.3	-167.1	-174.4	-148.5	0.8	115.2	R58	R58-R60 PolarHBondContact O-N 2.95Å
61	R	40.4	Very low	41.6	Very low	214 Å²	214	143.7 Å²	143.7	81%	0.808	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-7.9	177.5	-90.5	-173	169.1	-171.3	-4.2	114.6	R58 E59	R58-R61 PolarHBondContact O-N 3.25Å; E59-R61 PolarHBondContact O-N 3.11Å; E59-R61 VanDerWaalsContact O-N 3.14Å
62	Q	34.9	Very low	42.2	Very low	169 Å²	169	147 Å²	147	79%	0.79	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-15.7	172.4	-88.3	177.4	-44.4	0	0	113.9	E59 L64	E59-Q62 PolarHBondContact O-N 3.31Å; Q62-L64 PolarHBondContact O-N 2.91Å
63	A	36.6	Very low	43.1	Very low	87 Å²	87	148 Å²	148	72%	0.719	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	9.6	174.3	0	0	0	0	0	114.6
64	L	41.8	Very low	44.5	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	6	-178.8	-92	161.7	0	0	0	113.7	Q62	Q62-L64 PolarHBondContact O-N 2.91Å
65	A	43.2	Very low	45.9	Very low	72 Å²	72	137.4 Å²	137.4	60%	0.595	73%	0.73	S	S	*	*	S	Bend	trans	-135.4	132.2	170.4	0	0	0	0	0	108.4
66	L	43.1	Very low	47.5	Very low	184 Å²	184	135.1 Å²	135.1	96%	0.963	73%	0.728	S	S	*	*	S	Bend	trans	77.6	109.6	-170.2	-51.1	162.2	0	0	0	113.8
67	G	34.9	Very low	49.4	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	73%	0.725	S	S	*	*			trans	138.5	69.4	175.4	0	0	0	0	0	113.2	M69	G67-M69 VanDerWaalsContact C-N 3.32Å; G67-M69 PolarHBondContact O-N 3.42Å
68	N	47.8	Very low	51.2	Low	174 Å²	174	131.7 Å²	131.7	93%	0.93	71%	0.711	S	S	*	*			trans	-49.5	84.4	171.7	-168.2	40.2	0	0	0	112.1	G70	N68-G70 PolarHBondContact O-N 3.2Å
69	M	42.2	Very low	53.2	Low	182 Å²	182	123.3 Å²	123.3	90%	0.897	69%	0.688	S	S	*	*			trans	-89.9	107.6	-175.4	-149.8	-178	-66.6	0	0	109.6	G67	G67-M69 VanDerWaalsContact C-N 3.32Å; G67-M69 PolarHBondContact O-N 3.42Å
70	G	39.8	Very low	55.5	Low	56 Å²	56	118.9 Å²	118.9	58%	0.577	67%	0.674	S	S	*	*			trans	-57.8	137.4	-170.5	0	0	0	0	0	113.7	N68 T72	N68-G70 PolarHBondContact O-N 3.2Å; G70-T72 PolarHBondContact O-N 3.41Å
71	C	53.7	Low	57.7	Low	138 Å²	138	112.3 Å²	112.3	93%	0.932	66%	0.657	S	S	*	*	S	Bend	trans	-76	67.4	178.8	-171.2	0	0	0	0	111.8
72	T	52.4	Low	60	Low	115 Å²	115	107.3 Å²	107.3	71%	0.706	64%	0.643	S	S	*	*			trans	-143	106.6	171.2	50	0	0	0	0	109.9	G70 S74	G70-T72 PolarHBondContact O-N 3.41Å; T72-S74 PolarHBondContact O-N 3.39Å
73	L	56.9	Low	62.8	Low	107 Å²	107	105.7 Å²	105.7	56%	0.56	63%	0.63	S	S	*	*			trans	-48.3	132.8	153.3	-77.3	161.1	0	0	0	107.5	D77 K78	L73-D77 HydrophobicContact CB-CB 4.29Å; L73-D77 HydrophobicContact CD2-CB 3.91Å; L73-K78 HydrophobicContact CB-CD 4.34Å; L73-K78 HydrophobicContact CB-CG 3.6Å; L73-K78 HydrophobicContact CD1-CG 4.19Å
74	S	69.9	Low	65.5	Low	46 Å²	46	104.3 Å²	104.3	32%	0.322	62%	0.615	S	S	.	*			trans	-59.4	157.4	178	74.7	0	0	0	0	109.8	T72 E76 D77 K78	T72-S74 PolarHBondContact O-N 3.39Å; S74-E76 PolarHBondContact O-N 3.37Å; S74-E76 PolarHBondContact OG-N 2.65Å; S74-D77 VanDerWaalsContact CB-OD2 3.29Å; S74-D77 WeakPolarHBondContact CB-OD2 3.36Å; S74-D77 PolarHBondContact N-OD2 3.35Å; S74-D77 PolarHBondContact O-N 3.1Å; S74-D77 VanDerWaalsContact O-N 3.14Å; S74-D77 PolarHBondContact OG-N 2.82Å; S74-D77 PolarHBondContact OG-OD2 2.67Å; S74-K78 PolarHBondContact O-N 3.36Å
75	A	74.4	Confident	67.9	Low	87 Å²	87	102.3 Å²	102.3	72%	0.719	60%	0.6	S	S	*	*	H	α-helix	trans	-56.9	-32.2	175.8	0	0	0	0	0	111.2	A79	A75-A79 WeakPolarHBondContact O-CB 3.31Å; A75-A79 PolarHBondContact O-N 3.45Å
76	E	75.6	Confident	70.2	Confident	155 Å²	155	103.6 Å²	103.6	72%	0.724	60%	0.595	S	S	*	*	H	α-helix	trans	-70.6	-42.4	176.9	-59.2	-175.8	157.8	0	0	112.4	S74 A79 A80	S74-E76 PolarHBondContact O-N 3.37Å; S74-E76 PolarHBondContact OG-N 2.65Å; E76-A79 PolarHBondContact O-N 2.62Å; E76-A80 WeakPolarHBondContact O-CB 3.28Å; E76-A80 PolarHBondContact O-N 3.41Å
77	D	81.1	Confident	72.6	Confident	83 Å²	83	99.4 Å²	99.4	44%	0.444	57%	0.572	S	S	.	*	H	α-helix	trans	-64.9	-44.4	175.6	-62.5	-52.8	0	0	0	111.5	L73 S74 A79 A80 V81	L73-D77 HydrophobicContact CB-CB 4.29Å; L73-D77 HydrophobicContact CD2-CB 3.91Å; S74-D77 VanDerWaalsContact CB-OD2 3.29Å; S74-D77 WeakPolarHBondContact CB-OD2 3.36Å; S74-D77 PolarHBondContact N-OD2 3.35Å; S74-D77 PolarHBondContact O-N 3.1Å; S74-D77 VanDerWaalsContact O-N 3.14Å; S74-D77 PolarHBondContact OG-N 2.82Å; S74-D77 PolarHBondContact OG-OD2 2.67Å; D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 3.5Å; D77-A80 PolarHBondContact O-N 3.41Å; D77-V81 WeakPolarHBondContact O-CG2 3.36Å; D77-V81 PolarHBondContact O-N 3.08Å
78	K	81.2	Confident	75.4	Confident	117 Å²	117	100.5 Å²	100.5	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-44.1	175.2	-68.4	-171.5	-177.6	-179	0	111	L73 S74 A80 V81 E82	L73-K78 HydrophobicContact CB-CD 4.34Å; L73-K78 HydrophobicContact CB-CG 3.6Å; L73-K78 HydrophobicContact CD1-CG 4.19Å; S74-K78 PolarHBondContact O-N 3.36Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 2.86Å; K78-V81 PolarHBondContact O-N 2.79Å; K78-E82 PolarHBondContact O-N 3.2Å
79	A	85.4	Confident	77.5	Confident	39 Å²	39	98.9 Å²	98.9	32%	0.322	54%	0.543	S	S	.	.	H	α-helix	trans	-66.7	-32.1	176.6	0	0	0	0	0	112.3	A75 E76 D77 R83	A75-A79 WeakPolarHBondContact O-CB 3.31Å; A75-A79 PolarHBondContact O-N 3.45Å; E76-A79 PolarHBondContact O-N 2.62Å; D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 3.5Å; A79-R83 WeakPolarHBondContact O-CB 3.17Å; A79-R83 VanDerWaalsContact O-CG 3.28Å; A79-R83 WeakPolarHBondContact O-CG 3.41Å; A79-R83 PolarHBondContact O-N 3.37Å; A79-R83 PolarHBondContact O-NH1 2.94Å
80	A	86.4	Confident	79.9	Confident	43 Å²	43	93.3 Å²	93.3	36%	0.355	52%	0.516	S	S	.	.	H	α-helix	trans	-68.4	-42.6	173.8	0	0	0	0	0	112	E76 D77 K78 R83 S84	E76-A80 WeakPolarHBondContact O-CB 3.28Å; E76-A80 PolarHBondContact O-N 3.41Å; D77-A80 PolarHBondContact O-N 3.41Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 2.86Å; A80-R83 PolarHBondContact O-N 3.29Å; A80-S84 PolarHBondContact O-N 3.06Å
81	V	89.4	Confident	82.4	Confident	70 Å²	70	96.1 Å²	96.1	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175	169.8	0	0	0	0	111.4	D77 K78 S84 K85	D77-V81 WeakPolarHBondContact O-CG2 3.36Å; D77-V81 PolarHBondContact O-N 3.08Å; K78-V81 PolarHBondContact O-N 2.79Å; V81-S84 WeakPolarHBondContact O-CB 3.23Å; V81-S84 PolarHBondContact O-N 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.49Å; V81-K85 PolarHBondContact O-N 3.24Å
82	E	89.9	Confident	84	Confident	108 Å²	108	97.8 Å²	97.8	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-36.2	176.4	-68.8	-52.8	139.3	0	0	112.8	K78 S84 K85 M86	K78-E82 PolarHBondContact O-N 3.2Å; E82-S84 VanDerWaalsContact C-N 3.35Å; E82-K85 PolarHBondContact O-N 3.42Å; E82-K85 IonicContact OE1-NZ 2.65Å; E82-K85 PolarHBondContact OE1-NZ 2.85Å; E82-K85 WeakPolarHBondContact OE2-CD 3.48Å; E82-K85 IonicContact OE2-NZ 3.67Å; E82-M86 WeakPolarHBondContact O-CB 3.41Å; E82-M86 PolarHBondContact O-N 2.94Å
83	R	92	Very high	85.6	Confident	136 Å²	136	96.2 Å²	96.2	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-42.6	169.6	-77	-174.4	-58.1	-93.6	1.9	111.7	A79 A80 M86 I87	A79-R83 WeakPolarHBondContact O-CB 3.17Å; A79-R83 VanDerWaalsContact O-CG 3.28Å; A79-R83 WeakPolarHBondContact O-CG 3.41Å; A79-R83 PolarHBondContact O-N 3.37Å; A79-R83 PolarHBondContact O-NH1 2.94Å; A80-R83 PolarHBondContact O-N 3.29Å; R83-M86 PolarHBondContact O-N 3.27Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.46Å; R83-I87 PolarHBondContact O-N 3.28Å
84	S	93.4	Very high	86.9	Confident	58 Å²	58	95.2 Å²	95.2	41%	0.406	48%	0.484	S	S	.	.	H	α-helix	trans	-60.9	-51.3	176.4	-164.5	0	0	0	0	111	A80 V81 E82 M86 I87 D88	A80-S84 PolarHBondContact O-N 3.06Å; V81-S84 WeakPolarHBondContact O-CB 3.23Å; V81-S84 PolarHBondContact O-N 3.49Å; E82-S84 VanDerWaalsContact C-N 3.35Å; S84-M86 PolarHBondContact O-N 3.47Å; S84-I87 CarbonylContact O-C 3.6Å; S84-I87 WeakPolarHBondContact O-CA 3.36Å; S84-I87 WeakPolarHBondContact O-CB 3.4Å; S84-I87 PolarHBondContact O-N 3.49Å; S84-D88 PolarHBondContact O-N 3.32Å; S84-D88 VanDerWaalsContact O-OD2 3.08Å; S84-D88 PolarHBondContact OG-OD2 3Å
85	K	93.3	Very high	87.5	Confident	110 Å²	110	95 Å²	95	48%	0.478	49%	0.488	S	S	.	.	H	α-helix	trans	-56.6	-38.1	176.3	-71.2	174	-176.7	173	0	112.9	V81 E82 R89	V81-K85 WeakPolarHBondContact O-CG 3.49Å; V81-K85 PolarHBondContact O-N 3.24Å; E82-K85 PolarHBondContact O-N 3.42Å; E82-K85 IonicContact OE1-NZ 2.65Å; E82-K85 PolarHBondContact OE1-NZ 2.85Å; E82-K85 WeakPolarHBondContact OE2-CD 3.48Å; E82-K85 IonicContact OE2-NZ 3.67Å; K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 2.79Å
86	M	92.3	Very high	87.8	Confident	99 Å²	99	95 Å²	95	49%	0.488	47%	0.474	S	S	.	.	H	α-helix	trans	-68.3	-40	176.7	-169.5	177	72.6	0	0	111.6	E82 R83 S84 R89 N90	E82-M86 WeakPolarHBondContact O-CB 3.41Å; E82-M86 PolarHBondContact O-N 2.94Å; R83-M86 PolarHBondContact O-N 3.27Å; S84-M86 PolarHBondContact O-N 3.47Å; M86-R89 PolarHBondContact O-N 3.05Å; M86-N90 WeakPolarHBondContact O-CB 3.43Å; M86-N90 PolarHBondContact O-N 2.79Å; M86-N90 PolarHBondContact O-OD1 2.97Å; M86-N90 VanDerWaalsContact O-OD1 3.09Å
87	I	93.4	Very high	87.8	Confident	95 Å²	95	92.3 Å²	92.3	49%	0.487	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-47.7	172.7	-68.4	162.4	0	0	0	110.3	R83 S84 R89 N90 L91	R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.46Å; R83-I87 PolarHBondContact O-N 3.28Å; S84-I87 CarbonylContact O-C 3.6Å; S84-I87 WeakPolarHBondContact O-CA 3.36Å; S84-I87 WeakPolarHBondContact O-CB 3.4Å; S84-I87 PolarHBondContact O-N 3.49Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 2.87Å; I87-N90 PolarHBondContact O-N 3.32Å; I87-L91 HydrophobicContact CG2-CD1 3.82Å; I87-L91 HydrophobicContact CG2-CG 4.21Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 3.26Å
88	D	93.1	Very high	87.6	Confident	93 Å²	93	91.1 Å²	91.1	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-38.4	179.2	-63.2	-38.5	0	0	0	111.8	S84 R92	S84-D88 PolarHBondContact O-N 3.32Å; S84-D88 VanDerWaalsContact O-OD2 3.08Å; S84-D88 PolarHBondContact OG-OD2 3Å; D88-R92 WeakPolarHBondContact O-CB 3.48Å; D88-R92 PolarHBondContact O-N 3.26Å
89	R	92.3	Very high	87.3	Confident	140 Å²	140	89.7 Å²	89.7	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-48.6	173.2	-169.7	-172.4	68	-151.2	-6.9	111.3	K85 M86 I87 L91 R92 E93	K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 2.79Å; M86-R89 PolarHBondContact O-N 3.05Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 2.87Å; R89-L91 PolarHBondContact O-N 3.14Å; R89-R92 WeakPolarHBondContact O-CB 3.43Å; R89-R92 PolarHBondContact O-N 3.22Å; R89-E93 WeakPolarHBondContact CD-OE1 3.47Å; R89-E93 WeakPolarHBondContact CG-OE1 3.48Å; R89-E93 IonicContact NE-OE1 3.98Å; R89-E93 PolarHBondContact NE-OE1 3.05Å; R89-E93 WeakPolarHBondContact O-CG 3.14Å; R89-E93 PolarHBondContact O-N 3.32Å
90	N	91.7	Very high	87.1	Confident	65 Å²	65	94.8 Å²	94.8	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-43.1	178.9	-67.1	6.1	0	0	0	111.3	M86 I87 R92 E93 D94	M86-N90 WeakPolarHBondContact O-CB 3.43Å; M86-N90 PolarHBondContact O-N 2.79Å; M86-N90 PolarHBondContact O-OD1 2.97Å; M86-N90 VanDerWaalsContact O-OD1 3.09Å; I87-N90 PolarHBondContact O-N 3.32Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 PolarHBondContact O-N 2.85Å; N90-E93 PolarHBondContact O-N 2.96Å; N90-D94 WeakPolarHBondContact O-CB 3.34Å; N90-D94 PolarHBondContact O-N 3.35Å
91	L	91.6	Very high	87.1	Confident	114 Å²	114	95 Å²	95	60%	0.597	48%	0.476	S	S	*	.	H	α-helix	trans	-60.3	-36.8	174.9	-74.8	173.1	0	0	0	112.4	I87 R89 G95	I87-L91 HydrophobicContact CG2-CD1 3.82Å; I87-L91 HydrophobicContact CG2-CG 4.21Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 3.26Å; R89-L91 PolarHBondContact O-N 3.14Å; L91-G95 PolarHBondContact O-N 3.4Å
92	R	88.9	Confident	87	Confident	174 Å²	174	92.3 Å²	92.3	66%	0.657	46%	0.46	S	S	*	.	H	α-helix	trans	-69.2	-47.5	174.3	-178.8	177.6	175.6	153.4	4.4	111.8	D88 R89 N90 D94 G95 E96	D88-R92 WeakPolarHBondContact O-CB 3.48Å; D88-R92 PolarHBondContact O-N 3.26Å; R89-R92 WeakPolarHBondContact O-CB 3.43Å; R89-R92 PolarHBondContact O-N 3.22Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 PolarHBondContact O-N 2.85Å; R92-D94 VanDerWaalsContact C-N 3.31Å; R92-D94 PolarHBondContact O-N 2.94Å; R92-G95 PolarHBondContact O-N 2.85Å; R92-E96 WeakPolarHBondContact CG-OE1 3.48Å; R92-E96 IonicContact CZ-OE1 2.64Å; R92-E96 IonicContact NE-OE1 3.82Å; R92-E96 PolarHBondContact NE-OE1 2.85Å; R92-E96 IonicContact NH2-OE1 3.37Å; R92-E96 PolarHBondContact NH2-OE1 3.19Å; R92-E96 WeakPolarHBondContact O-CB 3.38Å; R92-E96 WeakPolarHBondContact O-CG 3.29Å; R92-E96 PolarHBondContact O-N 3Å
93	E	86.1	Confident	87.1	Confident	81 Å²	81	90 Å²	90	38%	0.379	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-41.1	177.1	-71.8	173.5	-153.4	0	0	111.5	R89 N90 E96 K97	R89-E93 WeakPolarHBondContact CD-OE1 3.47Å; R89-E93 WeakPolarHBondContact CG-OE1 3.48Å; R89-E93 IonicContact NE-OE1 3.98Å; R89-E93 PolarHBondContact NE-OE1 3.05Å; R89-E93 WeakPolarHBondContact O-CG 3.14Å; R89-E93 PolarHBondContact O-N 3.32Å; N90-E93 PolarHBondContact O-N 2.96Å; E93-E96 PolarHBondContact O-N 3.46Å; E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.45Å
94	D	83.8	Confident	87.1	Confident	87 Å²	87	83.6 Å²	83.6	47%	0.465	42%	0.424	S	S	.	.	H	α-helix	trans	-72.8	-33.3	177	-68.7	-18.8	0	0	0	112.2	N90 R92 K97 A98	N90-D94 WeakPolarHBondContact O-CB 3.34Å; N90-D94 PolarHBondContact O-N 3.35Å; R92-D94 VanDerWaalsContact C-N 3.31Å; R92-D94 PolarHBondContact O-N 2.94Å; D94-K97 PolarHBondContact O-N 2.88Å; D94-K97 IonicContact OD1-NZ 3.56Å; D94-K97 PolarHBondContact OD1-NZ 3.24Å; D94-A98 VanDerWaalsContact O-CB 3.23Å; D94-A98 WeakPolarHBondContact O-CB 3.2Å; D94-A98 PolarHBondContact O-N 2.9Å
95	G	82.7	Confident	87.2	Confident	40 Å²	40	80.8 Å²	80.8	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-42	169.9	0	0	0	0	0	113	L91 R92 A98 A99	L91-G95 PolarHBondContact O-N 3.4Å; R92-G95 PolarHBondContact O-N 2.85Å; G95-A98 PolarHBondContact O-N 3.44Å; G95-A99 WeakPolarHBondContact O-CB 3.06Å; G95-A99 PolarHBondContact O-N 2.84Å
96	E	80.1	Confident	87.3	Confident	88 Å²	88	75.6 Å²	75.6	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-35	175.9	-72.7	177.4	-162.8	0	0	112	R92 E93	R92-E96 WeakPolarHBondContact CG-OE1 3.48Å; R92-E96 IonicContact CZ-OE1 2.64Å; R92-E96 IonicContact NE-OE1 3.82Å; R92-E96 PolarHBondContact NE-OE1 2.85Å; R92-E96 IonicContact NH2-OE1 3.37Å; R92-E96 PolarHBondContact NH2-OE1 3.19Å; R92-E96 WeakPolarHBondContact O-CB 3.38Å; R92-E96 WeakPolarHBondContact O-CG 3.29Å; R92-E96 PolarHBondContact O-N 3Å; E93-E96 PolarHBondContact O-N 3.46Å
97	K	76.8	Confident	87.6	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-47.3	170	-69.7	167.5	-155.5	152.8	0	112	E93 D94 A99 R100 E101	E93-K97 VanDerWaalsContact O-CG 3.29Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.45Å; D94-K97 PolarHBondContact O-N 2.88Å; D94-K97 IonicContact OD1-NZ 3.56Å; D94-K97 PolarHBondContact OD1-NZ 3.24Å; K97-A99 VanDerWaalsContact C-N 3.26Å; K97-A99 PolarHBondContact O-N 3.26Å; K97-R100 CarbonylContact O-C 3.56Å; K97-R100 WeakPolarHBondContact O-CA 3.36Å; K97-R100 PolarHBondContact O-N 2.9Å; K97-E101 PolarHBondContact O-N 3.17Å
98	A	76.4	Confident	87.7	Confident	58 Å²	58	66.3 Å²	66.3	48%	0.479	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-33	-180	0	0	0	0	0	112.3	D94 G95 R100 E101	D94-A98 VanDerWaalsContact O-CB 3.23Å; D94-A98 WeakPolarHBondContact O-CB 3.2Å; D94-A98 PolarHBondContact O-N 2.9Å; G95-A98 PolarHBondContact O-N 3.44Å; A98-R100 PolarHBondContact O-N 3.37Å; A98-E101 WeakPolarHBondContact O-CB 3.28Å; A98-E101 PolarHBondContact O-N 3.09Å
99	A	75.3	Confident	87.8	Confident	88 Å²	88	62.4 Å²	62.4	73%	0.727	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.3	173	0	0	0	0	0	114	G95 K97	G95-A99 WeakPolarHBondContact O-CB 3.06Å; G95-A99 PolarHBondContact O-N 2.84Å; K97-A99 VanDerWaalsContact C-N 3.26Å; K97-A99 PolarHBondContact O-N 3.26Å
100	R	79.4	Confident	87.8	Confident	146 Å²	146	56.7 Å²	56.7	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	11.7	175.8	-59	-179.2	-168.4	-173.8	5.1	112.8	K97 A98 L262 H263	K97-R100 CarbonylContact O-C 3.56Å; K97-R100 WeakPolarHBondContact O-CA 3.36Å; K97-R100 PolarHBondContact O-N 2.9Å; A98-R100 PolarHBondContact O-N 3.37Å; R100-L262 HydrophobicContact CB-CD2 4.35Å; R100-H263 PolarHBondContact O-N 3.03Å
101	E	86.4	Confident	87.8	Confident	48 Å²	48	56 Å²	56	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116	-177.7	-175.8	170.2	-83.8	0	0	110.8	K97 A98 K103 H263 K265	K97-E101 PolarHBondContact O-N 3.17Å; A98-E101 WeakPolarHBondContact O-CB 3.28Å; A98-E101 PolarHBondContact O-N 3.09Å; E101-K103 HydrophobicContact CG-CG 4.38Å; E101-K103 WeakPolarHBondContact OE2-CE 3.32Å; E101-K103 IonicContact OE2-NZ 3.83Å; E101-H263 CarbonylContact C-O 3.57Å; E101-H263 WeakPolarHBondContact CA-O 3.42Å; E101-K265 VanDerWaalsContact CD-CD 3.42Å; E101-K265 VanDerWaalsContact CD-CE 3.48Å; E101-K265 HydrophobicContact CG-CD 4.02Å; E101-K265 HydrophobicContact CG-CG 4.37Å; E101-K265 WeakPolarHBondContact OE1-CE 3.44Å; E101-K265 IonicContact OE1-NZ 2.62Å; E101-K265 PolarHBondContact OE1-NZ 3.19Å; E101-K265 WeakPolarHBondContact OE2-CD 3.18Å; E101-K265 IonicContact OE2-NZ 3.81Å; E101-K265 PolarHBondContact OE2-NZ 2.98Å
102	V	88.6	Confident	88	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.9	177.3	-179.9	0	0	0	0	109.2	L104 L262 H263 F264 K265 T287 I411	V102-L104 HydrophobicContact CG1-CD2 3.85Å; V102-L104 HydrophobicContact CG1-CG 4.18Å; V102-L262 HydrophobicContact CG2-CB 4.37Å; V102-L262 HydrophobicContact CG2-CD1 4.14Å; V102-H263 PolarHBondContact N-O 3.17Å; V102-F264 HydrophobicContact CB-CD1 3.78Å; V102-F264 HydrophobicContact CB-CE1 3.82Å; V102-F264 HydrophobicContact CB-CG 4.37Å; V102-F264 HydrophobicContact CB-CZ 4.4Å; V102-F264 HydrophobicContact CG1-CD1 3.74Å; V102-F264 HydrophobicContact CG1-CE1 3.54Å; V102-F264 HydrophobicContact CG1-CZ 4.41Å; V102-F264 HydrophobicContact CG2-CE1 4.34Å; V102-F264 HydrophobicContact CG2-CZ 4.48Å; V102-F264 WeakPolarHBondContact O-CA 3.47Å; V102-K265 PolarHBondContact O-N 2.76Å; V102-T287 HydrophobicContact CG1-CG2 4.06Å; V102-I411 HydrophobicContact CG1-CG2 4.12Å
103	K	91.1	Very high	88.3	Confident	61 Å²	61	42.9 Å²	42.9	27%	0.265	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.7	179.3	-68.1	-179.8	-175.1	170.5	0	110.5	E101 K265 F267 G285 T287 A288	E101-K103 HydrophobicContact CG-CG 4.38Å; E101-K103 WeakPolarHBondContact OE2-CE 3.32Å; E101-K103 IonicContact OE2-NZ 3.83Å; K103-K265 WeakPolarHBondContact CA-O 3.47Å; K103-K265 HydrophobicContact CG-CB 4.33Å; K103-F267 HydrophobicContact CB-CE2 4.32Å; K103-F267 HydrophobicContact CG-CE2 4.31Å; K103-G285 WeakPolarHBondContact CD-O 3.46Å; K103-T287 PolarHBondContact N-OG1 2.8Å; K103-T287 WeakPolarHBondContact O-CB 3.11Å; K103-T287 PolarHBondContact O-N 3.03Å; K103-A288 PolarHBondContact O-N 2.57Å
104	L	93	Very high	88.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.4	178.8	-59.5	-176.6	0	0	0	110.6	V102 F264 K265 M266 F267 A288 I290 F404 I411	V102-L104 HydrophobicContact CG1-CD2 3.85Å; V102-L104 HydrophobicContact CG1-CG 4.18Å; L104-F264 HydrophobicContact CD1-CD1 3.56Å; L104-F264 HydrophobicContact CD1-CE1 3.92Å; L104-F264 HydrophobicContact CG-CD1 3.99Å; L104-F264 HydrophobicContact CG-CE1 4.42Å; L104-K265 PolarHBondContact N-O 3.47Å; L104-M266 HydrophobicContact CB-CE 4.34Å; L104-M266 HydrophobicContact CB-CG 4.42Å; L104-M266 HydrophobicContact CD1-CE 3.64Å; L104-M266 WeakPolarHBondContact O-CA 3.47Å; L104-F267 PolarHBondContact O-N 2.81Å; L104-A288 WeakPolarHBondContact CA-O 3.42Å; L104-A288 HydrophobicContact CD2-CB 3.97Å; L104-I290 HydrophobicContact CD1-CD1 4.16Å; L104-F404 HydrophobicContact CD1-CE2 3.73Å; L104-F404 HydrophobicContact CD1-CZ 3.86Å; L104-I411 HydrophobicContact CD2-CD1 3.78Å
105	L	95.2	Very high	89.3	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.8	177.4	-177.2	60.6	0	0	0	110.6	L107 F267 V269 C282 F283 V286 A288 I289 I290 F327	L105-L107 HydrophobicContact CD1-CD2 4.22Å; L105-L107 HydrophobicContact CD2-CD1 4.05Å; L105-L107 HydrophobicContact CD2-CD2 4.03Å; L105-L107 HydrophobicContact CD2-CG 4.11Å; L105-L107 HydrophobicContact CG-CD1 4.38Å; L105-L107 HydrophobicContact CG-CD2 3.86Å; L105-L107 HydrophobicContact CG-CG 3.91Å; L105-F267 HydrophobicContact CD1-CB 3.81Å; L105-V269 HydrophobicContact CD1-CG1 4.3Å; L105-C282 HydrophobicContact CD1-CB 3.66Å; L105-F283 HydrophobicContact CD2-CD1 3.66Å; L105-F283 HydrophobicContact CD2-CE1 3.77Å; L105-V286 HydrophobicContact CB-CG1 3.8Å; L105-V286 HydrophobicContact CB-CG2 4.1Å; L105-V286 HydrophobicContact CD2-CG2 4.16Å; L105-A288 PolarHBondContact N-O 3.38Å; L105-A288 VanDerWaalsContact N-O 3.07Å; L105-I289 HydrophobicContact CB-CG1 4.48Å; L105-I289 WeakPolarHBondContact O-CA 3.17Å; L105-I290 PolarHBondContact O-N 3.46Å; L105-F327 HydrophobicContact CD2-CZ 4.13Å
106	L	95.9	Very high	90	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.1	176.2	-77.1	165.5	0	0	0	110.5	K114 I117 V118 M266 F267 D268 V269 I290	L106-K114 HydrophobicContact CB-CB 4.17Å; L106-K114 HydrophobicContact CB-CD 4.02Å; L106-K114 HydrophobicContact CB-CG 4.04Å; L106-K114 HydrophobicContact CD1-CB 4.43Å; L106-K114 VanDerWaalsContact O-CD 3.26Å; L106-K114 WeakPolarHBondContact O-CD 3.49Å; L106-I117 HydrophobicContact CD2-CD1 4.36Å; L106-I117 HydrophobicContact CD2-CG2 4.27Å; L106-V118 HydrophobicContact CD1-CG2 3.33Å; L106-M266 HydrophobicContact CD1-CG 3.72Å; L106-M266 HydrophobicContact CD1-SD 3.58Å; L106-M266 VanDerWaalsContact CD1-SD 3.58Å; L106-M266 HydrophobicContact CG-CG 4.13Å; L106-M266 HydrophobicContact CG-SD 4.19Å; L106-F267 WeakPolarHBondContact CB-O 3.47Å; L106-F267 PolarHBondContact N-O 3.23Å; L106-D268 HydrophobicContact CD1-CB 4.29Å; L106-V269 WeakPolarHBondContact O-CG2 3.38Å; L106-I290 WeakPolarHBondContact CA-O 3.04Å; L106-I290 HydrophobicContact CD2-CB 3.8Å; L106-I290 HydrophobicContact CD2-CG2 3.68Å
107	L	96.9	Very high	90.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	168.5	177.6	-62.2	-175.4	0	0	0	112	L105 V269 W279 I289 I290 F291 C292 I321 F327	L105-L107 HydrophobicContact CD1-CD2 4.22Å; L105-L107 HydrophobicContact CD2-CD1 4.05Å; L105-L107 HydrophobicContact CD2-CD2 4.03Å; L105-L107 HydrophobicContact CD2-CG 4.11Å; L105-L107 HydrophobicContact CG-CD1 4.38Å; L105-L107 HydrophobicContact CG-CD2 3.86Å; L105-L107 HydrophobicContact CG-CG 3.91Å; L107-V269 HydrophobicContact CD2-CG2 3.72Å; L107-W279 HydrophobicContact CB-CZ3 4.47Å; L107-W279 HydrophobicContact CD1-CZ3 4.47Å; L107-W279 HydrophobicContact CD2-CD2 3.88Å; L107-W279 HydrophobicContact CD2-CE3 3.72Å; L107-W279 HydrophobicContact CD2-CG 4.43Å; L107-W279 HydrophobicContact CD2-CH2 4.19Å; L107-W279 HydrophobicContact CD2-CZ2 4.38Å; L107-W279 HydrophobicContact CD2-CZ3 3.88Å; L107-I289 HydrophobicContact CB-CG2 4.22Å; L107-I289 HydrophobicContact CD1-CD1 4.41Å; L107-I289 HydrophobicContact CD1-CG2 3.91Å; L107-I289 HydrophobicContact CG-CG2 4.09Å; L107-I290 PolarHBondContact N-O 2.85Å; L107-F291 HydrophobicContact CB-CD2 3.79Å; L107-F291 HydrophobicContact CB-CE2 4.29Å; L107-C292 PolarHBondContact O-N 2.64Å; L107-I321 HydrophobicContact CD1-CD1 3.84Å; L107-I321 HydrophobicContact CD1-CG1 4.07Å; L107-I321 HydrophobicContact CD1-CG2 3.78Å; L107-F327 HydrophobicContact CD1-CE2 4.41Å
108	G	96.8	Very high	91.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.			trans	129.3	172	178.6	0	0	0	0	0	113.3	K114	G108-K114 PolarHBondContact O-NZ 3.5Å
109	A	95.1	Very high	92.4	Very high	11 Å²	11	26.7 Å²	26.7	9%	0.091	15%	0.15	C	C	.	.	S	Bend	trans	-59.7	171.4	-174	0	0	0	0	0	114	S112 K114 E313 L317	A109-S112 PolarHBondContact O-OG 3.14Å; A109-S112 VanDerWaalsContact O-OG 3.06Å; A109-K114 PolarHBondContact O-NZ 2.9Å; A109-E313 WeakPolarHBondContact CB-OE2 3.4Å; A109-L317 HydrophobicContact CB-CD2 4.48Å
110	G	91.3	Very high	93.4	Very high	20 Å²	20	22.5 Å²	22.5	21%	0.206	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	143.5	166	0	0	0	0	0	110.3	S112 G271	G110-S112 PolarHBondContact O-N 3.24Å; G110-S112 VanDerWaalsContact O-N 3.08Å; G110-G271 PolarHBondContact N-O 3.48Å
111	E	91.9	Very high	94	Very high	49 Å²	49	15.6 Å²	15.6	23%	0.229	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	9.8	175.5	-40.4	-162	70.5	0	0	116.9	G113 R246 R310 K338	E111-G113 PolarHBondContact O-N 2.8Å; E111-G113 VanDerWaalsContact O-N 3.17Å; E111-R246 IonicContact OE1-CZ 2.67Å; E111-R246 IonicContact OE1-NE 3.17Å; E111-R246 PolarHBondContact OE1-NE 3.08Å; E111-R246 IonicContact OE1-NH1 2.8Å; E111-R246 PolarHBondContact OE1-NH1 3.28Å; E111-R246 IonicContact OE1-NH2 3.46Å; E111-R246 PolarHBondContact OE1-NH2 3.48Å; E111-R246 IonicContact OE2-CZ 2.74Å; E111-R246 IonicContact OE2-NH1 2.92Å; E111-R246 IonicContact OE2-NH2 2.81Å; E111-R246 PolarHBondContact OE2-NH2 3.03Å; E111-R310 IonicContact OE2-CZ 3.36Å; E111-R310 IonicContact OE2-NH1 2.84Å; E111-R310 PolarHBondContact OE2-NH1 2.87Å; E111-R310 IonicContact OE2-NH2 3.11Å; E111-R310 PolarHBondContact OE2-NH2 2.62Å; E111-K338 WeakPolarHBondContact O-CE 3.33Å; E111-K338 PolarHBondContact O-NZ 3.22Å; E111-K338 VanDerWaalsContact O-NZ 3.11Å
112	S	96	Very high	94.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	9%	0.087	C	C	.	.	S	Bend	trans	-71.7	-4.3	178.8	64.3	0	0	0	0	115.5	A109 G110 K114 C292 N337	A109-S112 PolarHBondContact O-OG 3.14Å; A109-S112 VanDerWaalsContact O-OG 3.06Å; G110-S112 PolarHBondContact O-N 3.24Å; G110-S112 VanDerWaalsContact O-N 3.08Å; S112-K114 PolarHBondContact OG-NZ 3.02Å; S112-C292 WeakPolarHBondContact CB-O 3.21Å; S112-C292 WeakPolarHBondContact OG-CB 3.22Å; S112-C292 PolarHBondContact OG-O 3.05Å; S112-C292 VanDerWaalsContact OG-O 3.13Å; S112-N337 PolarHBondContact O-ND2 3.09Å
113	G	95.5	Very high	94.5	Very high	12 Å²	12	16.1 Å²	16.1	12%	0.124	9%	0.091	C	C	.	.	S	Bend	trans	95.4	7.9	175.9	0	0	0	0	0	116.6	E111 S115 T116 I117	E111-G113 PolarHBondContact O-N 2.8Å; E111-G113 VanDerWaalsContact O-N 3.17Å; G113-S115 PolarHBondContact O-N 3.45Å; G113-T116 WeakPolarHBondContact O-CA 3.4Å; G113-T116 VanDerWaalsContact O-CB 3.3Å; G113-T116 WeakPolarHBondContact O-CB 3.41Å; G113-T116 PolarHBondContact O-N 2.94Å; G113-I117 PolarHBondContact O-N 2.86Å
114	K	95.6	Very high	94.6	Very high	10 Å²	10	14.6 Å²	14.6	4%	0.043	9%	0.086	C	C	.	.	H	α-helix	trans	-45.6	-56.8	175.2	-68.4	-177.5	-69.1	-64.9	0	113.5	L106 G108 A109 S112 T116 I117 V118 D268 V269 C292	L106-K114 HydrophobicContact CB-CB 4.17Å; L106-K114 HydrophobicContact CB-CD 4.02Å; L106-K114 HydrophobicContact CB-CG 4.04Å; L106-K114 HydrophobicContact CD1-CB 4.43Å; L106-K114 VanDerWaalsContact O-CD 3.26Å; L106-K114 WeakPolarHBondContact O-CD 3.49Å; G108-K114 PolarHBondContact O-NZ 3.5Å; A109-K114 PolarHBondContact O-NZ 2.9Å; S112-K114 PolarHBondContact OG-NZ 3.02Å; K114-T116 PolarHBondContact O-N 3.31Å; K114-I117 WeakPolarHBondContact O-CA 3.45Å; K114-I117 WeakPolarHBondContact O-CB 3.44Å; K114-I117 PolarHBondContact O-N 3.36Å; K114-V118 PolarHBondContact O-N 2.96Å; K114-V118 VanDerWaalsContact O-N 3.09Å; K114-D268 VanDerWaalsContact CB-OD1 3.22Å; K114-D268 WeakPolarHBondContact CB-OD1 3.44Å; K114-V269 WeakPolarHBondContact CE-O 3.46Å; K114-C292 HydrophobicContact CG-CB 4.05Å
115	S	95.6	Very high	94.4	Very high	35 Å²	35	16 Å²	16	25%	0.245	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-27.7	-179.2	-39.1	0	0	0	0	112.5	G113 V118 K119 T249 D268	G113-S115 PolarHBondContact O-N 3.45Å; S115-V118 PolarHBondContact O-N 3.23Å; S115-K119 VanDerWaalsContact O-CG 3.25Å; S115-K119 WeakPolarHBondContact O-CG 3.38Å; S115-K119 PolarHBondContact O-N 3.33Å; S115-T249 PolarHBondContact OG-OG1 2.95Å; S115-D268 WeakPolarHBondContact CA-OD2 3.23Å; S115-D268 VanDerWaalsContact CB-OD2 3.26Å; S115-D268 WeakPolarHBondContact CB-OD2 3.29Å; S115-D268 PolarHBondContact OG-OD2 3.27Å
116	T	96.3	Very high	94	Very high	26 Å²	26	19.9 Å²	19.9	16%	0.16	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-37.1	171.9	-48.4	0	0	0	0	111.1	G113 K114 K119 Q120 L243 A394 T395	G113-T116 WeakPolarHBondContact O-CA 3.4Å; G113-T116 VanDerWaalsContact O-CB 3.3Å; G113-T116 WeakPolarHBondContact O-CB 3.41Å; G113-T116 PolarHBondContact O-N 2.94Å; K114-T116 PolarHBondContact O-N 3.31Å; T116-K119 PolarHBondContact O-N 2.95Å; T116-Q120 WeakPolarHBondContact O-CG 3.4Å; T116-Q120 PolarHBondContact O-N 3.36Å; T116-L243 HydrophobicContact CG2-CD2 4.05Å; T116-A394 HydrophobicContact CG2-CB 3.79Å; T116-A394 WeakPolarHBondContact CG2-O 3.4Å; T116-T395 HydrophobicContact CG2-CG2 4.28Å
117	I	95.7	Very high	93.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-42.7	173.9	-65.1	151	0	0	0	110.9	L106 G113 K114 K119 Q120 M121 C292 F335 A394	L106-I117 HydrophobicContact CD2-CD1 4.36Å; L106-I117 HydrophobicContact CD2-CG2 4.27Å; G113-I117 PolarHBondContact O-N 2.86Å; K114-I117 WeakPolarHBondContact O-CA 3.45Å; K114-I117 WeakPolarHBondContact O-CB 3.44Å; K114-I117 PolarHBondContact O-N 3.36Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.14Å; I117-Q120 WeakPolarHBondContact O-CB 3.28Å; I117-Q120 PolarHBondContact O-N 3.47Å; I117-Q120 VanDerWaalsContact O-N 3.1Å; I117-M121 HydrophobicContact CG2-CE 4.46Å; I117-M121 WeakPolarHBondContact O-CG 3.47Å; I117-M121 PolarHBondContact O-N 3.36Å; I117-C292 WeakPolarHBondContact CD1-SG 3.49Å; I117-F335 HydrophobicContact CD1-CD2 3.69Å; I117-F335 HydrophobicContact CD1-CE2 4.16Å; I117-F335 HydrophobicContact CG2-CE2 4.47Å; I117-A394 HydrophobicContact CG1-CB 4.07Å
118	V	94	Very high	93.4	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-46.3	172.7	178.9	0	0	0	0	111.5	L106 K114 S115 Q120 M121 K122 T255 M266 D268	L106-V118 HydrophobicContact CD1-CG2 3.33Å; K114-V118 PolarHBondContact O-N 2.96Å; K114-V118 VanDerWaalsContact O-N 3.09Å; S115-V118 PolarHBondContact O-N 3.23Å; V118-Q120 PolarHBondContact O-N 2.92Å; V118-M121 WeakPolarHBondContact O-CB 3.42Å; V118-M121 PolarHBondContact O-N 2.99Å; V118-K122 PolarHBondContact O-N 3.48Å; V118-T255 HydrophobicContact CG1-CG2 4Å; V118-T255 WeakPolarHBondContact CG1-OG1 3.29Å; V118-M266 HydrophobicContact CG2-CG 4.28Å; V118-M266 HydrophobicContact CG2-SD 3.93Å; V118-D268 HydrophobicContact CG2-CB 3.73Å
119	K	95	Very high	93.3	Very high	23 Å²	23	26.3 Å²	26.3	10%	0.1	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-37.6	175.7	-69.1	172.3	176.3	-178.8	0	111.9	S115 T116 I117 K122 I123 Y129 V242 L243 T245	S115-K119 VanDerWaalsContact O-CG 3.25Å; S115-K119 WeakPolarHBondContact O-CG 3.38Å; S115-K119 PolarHBondContact O-N 3.33Å; T116-K119 PolarHBondContact O-N 2.95Å; I117-K119 VanDerWaalsContact C-N 3.34Å; I117-K119 PolarHBondContact O-N 3.14Å; K119-K122 PolarHBondContact O-N 2.98Å; K119-I123 WeakPolarHBondContact O-CG1 3.48Å; K119-I123 PolarHBondContact O-N 3.14Å; K119-Y129 VanDerWaalsContact CA-OH 3.31Å; K119-Y129 WeakPolarHBondContact CA-OH 3.49Å; K119-Y129 HydrophobicContact CB-CE2 4.41Å; K119-Y129 WeakPolarHBondContact CB-OH 3.41Å; K119-Y129 VanDerWaalsContact CG-OH 3.3Å; K119-Y129 WeakPolarHBondContact CG-OH 3.46Å; K119-V242 PolarHBondContact NZ-O 3.02Å; K119-L243 HydrophobicContact CB-CD2 3.75Å; K119-T245 PolarHBondContact NZ-O 3.16Å; K119-T245 PolarHBondContact NZ-OG1 3.48Å
120	Q	95.3	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-35.7	174.4	-69	-76.2	19	0	0	113	T116 I117 V118 K122 I123 I124 L243 A394 T397 V400	T116-Q120 WeakPolarHBondContact O-CG 3.4Å; T116-Q120 PolarHBondContact O-N 3.36Å; I117-Q120 WeakPolarHBondContact O-CB 3.28Å; I117-Q120 PolarHBondContact O-N 3.47Å; I117-Q120 VanDerWaalsContact O-N 3.1Å; V118-Q120 PolarHBondContact O-N 2.92Å; Q120-K122 VanDerWaalsContact C-N 3.27Å; Q120-K122 PolarHBondContact O-N 3.22Å; Q120-I123 PolarHBondContact O-N 2.79Å; Q120-I124 HydrophobicContact CB-CD1 4.06Å; Q120-I124 WeakPolarHBondContact O-CB 3.38Å; Q120-I124 WeakPolarHBondContact O-CD1 3.37Å; Q120-I124 VanDerWaalsContact O-CG1 3.25Å; Q120-I124 WeakPolarHBondContact O-CG1 3.45Å; Q120-I124 PolarHBondContact O-N 3.48Å; Q120-L243 HydrophobicContact CG-CD2 3.67Å; Q120-A394 WeakPolarHBondContact CG-O 3.32Å; Q120-A394 PolarHBondContact NE2-O 3.47Å; Q120-T397 PolarHBondContact NE2-OG1 2.8Å; Q120-T397 PolarHBondContact OE1-OG1 3.44Å; Q120-V400 HydrophobicContact CB-CB 4.34Å; Q120-V400 HydrophobicContact CB-CG1 3.76Å; Q120-V400 HydrophobicContact CG-CB 4.29Å; Q120-V400 HydrophobicContact CG-CG1 4.18Å; Q120-V400 HydrophobicContact CG-CG2 4.15Å
121	M	93.3	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-40.4	176.2	-60.4	-59.8	91	0	0	111.5	I117 V118 I123 I124 H125 F257 M266 V400 F404	I117-M121 HydrophobicContact CG2-CE 4.46Å; I117-M121 WeakPolarHBondContact O-CG 3.47Å; I117-M121 PolarHBondContact O-N 3.36Å; V118-M121 WeakPolarHBondContact O-CB 3.42Å; V118-M121 PolarHBondContact O-N 2.99Å; M121-I123 VanDerWaalsContact C-N 3.34Å; M121-I123 PolarHBondContact O-N 3.01Å; M121-I124 HydrophobicContact CE-CD1 4.23Å; M121-I124 PolarHBondContact O-N 3.17Å; M121-H125 WeakPolarHBondContact O-CB 3.29Å; M121-H125 PolarHBondContact O-N 3.35Å; M121-F257 HydrophobicContact CB-CD1 3.97Å; M121-F257 HydrophobicContact CB-CE1 3.79Å; M121-F257 HydrophobicContact CB-CG 4.49Å; M121-F257 HydrophobicContact CB-CZ 4.16Å; M121-F257 HydrophobicContact CG-CD1 4.41Å; M121-F257 HydrophobicContact CG-CE1 3.72Å; M121-F257 HydrophobicContact CG-CZ 3.85Å; M121-F257 HydrophobicContact SD-CE1 4.14Å; M121-F257 HydrophobicContact SD-CE2 4.13Å; M121-F257 HydrophobicContact SD-CZ 3.61Å; M121-M266 HydrophobicContact CG-CE 3.7Å; M121-M266 HydrophobicContact CG-SD 3.73Å; M121-M266 HydrophobicContact SD-CE 3.85Å; M121-V400 HydrophobicContact CE-CG1 3.76Å; M121-F404 HydrophobicContact CE-CB 4.33Å; M121-F404 HydrophobicContact CE-CD2 4.01Å; M121-F404 HydrophobicContact CE-CG 4.06Å; M121-F404 HydrophobicContact SD-CD1 4.23Å; M121-F404 HydrophobicContact SD-CD2 3.68Å; M121-F404 HydrophobicContact SD-CE1 4.21Å; M121-F404 HydrophobicContact SD-CE2 3.66Å; M121-F404 HydrophobicContact SD-CG 3.98Å; M121-F404 HydrophobicContact SD-CZ 3.94Å
122	K	92.4	Very high	93.6	Very high	38 Å²	38	34.9 Å²	34.9	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-34.6	172.8	173.2	154.1	178.3	161	0	113.2	V118 K119 Q120 E126 G128 Y129 E133	V118-K122 PolarHBondContact O-N 3.48Å; K119-K122 PolarHBondContact O-N 2.98Å; Q120-K122 VanDerWaalsContact C-N 3.27Å; Q120-K122 PolarHBondContact O-N 3.22Å; K122-E126 WeakPolarHBondContact CD-OE2 3.25Å; K122-E126 HydrophobicContact CG-CB 4.38Å; K122-E126 WeakPolarHBondContact CG-OE2 3.33Å; K122-E126 CarbonylContact O-C 3.58Å; K122-E126 WeakPolarHBondContact O-CB 3.21Å; K122-E126 PolarHBondContact O-N 3.11Å; K122-G128 WeakPolarHBondContact CE-O 3.42Å; K122-G128 VanDerWaalsContact O-CA 3.32Å; K122-G128 WeakPolarHBondContact O-CA 3.49Å; K122-G128 PolarHBondContact O-N 2.6Å; K122-Y129 HydrophobicContact CD-CD1 4.3Å; K122-Y129 HydrophobicContact CD-CE1 3.82Å; K122-Y129 HydrophobicContact CG-CE1 4.43Å; K122-Y129 HydrophobicContact CG-CE2 4.47Å; K122-E133 VanDerWaalsContact CE-OE2 3.31Å; K122-E133 WeakPolarHBondContact CE-OE2 3.25Å; K122-E133 IonicContact NZ-OE1 2.7Å; K122-E133 PolarHBondContact NZ-OE1 3.18Å; K122-E133 IonicContact NZ-OE2 2.83Å; K122-E133 PolarHBondContact NZ-OE2 3Å
123	I	93.4	Very high	93.5	Very high	33 Å²	33	37.6 Å²	37.6	17%	0.169	21%	0.21	C	C	.	.	H	α-helix	trans	-73.3	-36.2	176.9	-63.5	176.1	0	0	0	112.2	K119 Q120 M121 Y129 Q239 L243 T397	K119-I123 WeakPolarHBondContact O-CG1 3.48Å; K119-I123 PolarHBondContact O-N 3.14Å; Q120-I123 PolarHBondContact O-N 2.79Å; M121-I123 VanDerWaalsContact C-N 3.34Å; M121-I123 PolarHBondContact O-N 3.01Å; I123-Y129 HydrophobicContact CD1-CD2 4.22Å; I123-Y129 HydrophobicContact CD1-CE2 4.04Å; I123-Y129 HydrophobicContact CG1-CD2 3.98Å; I123-Y129 HydrophobicContact CG1-CE2 3.85Å; I123-Q239 HydrophobicContact CD1-CB 4.19Å; I123-L243 HydrophobicContact CD1-CD1 3.75Å; I123-L243 HydrophobicContact CD1-CD2 3.87Å; I123-L243 HydrophobicContact CD1-CG 3.75Å; I123-T397 HydrophobicContact CG2-CG2 3.87Å
124	I	91.9	Very high	93.5	Very high	30 Å²	30	37.3 Å²	37.3	15%	0.154	21%	0.206	C	C	.	.	H	α-helix	trans	-92.1	-35.1	-171.4	-61.1	162.2	0	0	0	112	Q120 M121 T397 V400 Q401	Q120-I124 HydrophobicContact CB-CD1 4.06Å; Q120-I124 WeakPolarHBondContact O-CB 3.38Å; Q120-I124 WeakPolarHBondContact O-CD1 3.37Å; Q120-I124 VanDerWaalsContact O-CG1 3.25Å; Q120-I124 WeakPolarHBondContact O-CG1 3.45Å; Q120-I124 PolarHBondContact O-N 3.48Å; M121-I124 HydrophobicContact CE-CD1 4.23Å; M121-I124 PolarHBondContact O-N 3.17Å; I124-T397 HydrophobicContact CD1-CG2 4.14Å; I124-T397 HydrophobicContact CG1-CG2 3.67Å; I124-V400 HydrophobicContact CD1-CB 4.22Å; I124-V400 HydrophobicContact CD1-CG1 3.95Å; I124-Q401 HydrophobicContact CD1-CB 3.97Å; I124-Q401 HydrophobicContact CG1-CB 4.38Å; I124-Q401 HydrophobicContact CG2-CB 4.11Å; I124-Q401 HydrophobicContact CG2-CG 3.81Å
125	H	88.9	Confident	93.5	Very high	29 Å²	29	41.1 Å²	41.1	13%	0.134	22%	0.223	C	C	.	.	H	α-helix	trans	-119.4	-2.3	-170.6	-55.7	-59.3	0	0	0	114.6	M121 F257 F259 F404	M121-H125 WeakPolarHBondContact O-CB 3.29Å; M121-H125 PolarHBondContact O-N 3.35Å; H125-F257 HydrophobicContact CB-CB 4.13Å; H125-F257 HydrophobicContact CB-CD2 3.75Å; H125-F257 HydrophobicContact CB-CG 4.23Å; H125-F257 AromaticContact CD2-CD2 3.64Å; H125-F257 AromaticContact CD2-CE2 3.57Å; H125-F257 AromaticContact CG-CD2 3.83Å; H125-F259 AromaticContact CE1-CD2 3.42Å; H125-F259 VanDerWaalsContact CE1-CD2 3.42Å; H125-F259 WeakPolarHBondContact CE1-CD2 3.29Å; H125-F259 AromaticContact CE1-CE2 3.78Å; H125-F259 AromaticContact CE1-CG 3.65Å; H125-F259 AromaticContact ND1-CD2 3.47Å; H125-F259 WeakPolarHBondContact ND1-CD2 3.24Å; H125-F259 AromaticContact ND1-CG 3.85Å; H125-F404 AromaticContact NE2-CD1 3.39Å; H125-F404 WeakPolarHBondContact NE2-CD1 3.37Å; H125-F404 AromaticContact NE2-CE1 3.68Å
126	E	88.1	Confident	93.4	Very high	81 Å²	81	46.2 Å²	46.2	38%	0.379	24%	0.242	S	C	.	.	S	Bend	trans	-123.3	-160	169.9	-53	175.5	-164.9	0	0	110.2	K122 G128 F257	K122-E126 WeakPolarHBondContact CD-OE2 3.25Å; K122-E126 HydrophobicContact CG-CB 4.38Å; K122-E126 WeakPolarHBondContact CG-OE2 3.33Å; K122-E126 CarbonylContact O-C 3.58Å; K122-E126 WeakPolarHBondContact O-CB 3.21Å; K122-E126 PolarHBondContact O-N 3.11Å; E126-G128 PolarHBondContact O-N 3.43Å; E126-F257 HydrophobicContact CG-CB 4.48Å
127	A	88.5	Confident	93.4	Very high	106 Å²	106	47.6 Å²	47.6	88%	0.876	25%	0.245	S	C	*	.			trans	-79.8	8.7	177.3	0	0	0	0	0	114.3
128	G	91.1	Very high	93.3	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	25%	0.254	C	S	.	.			trans	67	-155.5	-168.2	0	0	0	0	0	112.7	K122 E126	K122-G128 WeakPolarHBondContact CE-O 3.42Å; K122-G128 VanDerWaalsContact O-CA 3.32Å; K122-G128 WeakPolarHBondContact O-CA 3.49Å; K122-G128 PolarHBondContact O-N 2.6Å; E126-G128 PolarHBondContact O-N 3.43Å
129	Y	93.8	Very high	93.3	Very high	25 Å²	25	50.5 Å²	50.5	10%	0.098	26%	0.263	C	S	.	.			trans	-94.6	128.3	178.2	-67.1	-78.7	0	0	0	111.2	K119 K122 I123 E133 Y137 V242	K119-Y129 VanDerWaalsContact CA-OH 3.31Å; K119-Y129 WeakPolarHBondContact CA-OH 3.49Å; K119-Y129 HydrophobicContact CB-CE2 4.41Å; K119-Y129 WeakPolarHBondContact CB-OH 3.41Å; K119-Y129 VanDerWaalsContact CG-OH 3.3Å; K119-Y129 WeakPolarHBondContact CG-OH 3.46Å; K122-Y129 HydrophobicContact CD-CD1 4.3Å; K122-Y129 HydrophobicContact CD-CE1 3.82Å; K122-Y129 HydrophobicContact CG-CE1 4.43Å; K122-Y129 HydrophobicContact CG-CE2 4.47Å; I123-Y129 HydrophobicContact CD1-CD2 4.22Å; I123-Y129 HydrophobicContact CD1-CE2 4.04Å; I123-Y129 HydrophobicContact CG1-CD2 3.98Å; I123-Y129 HydrophobicContact CG1-CE2 3.85Å; Y129-E133 WeakPolarHBondContact CA-OE2 3.26Å; Y129-E133 HydrophobicContact CD1-CB 4.23Å; Y129-Y137 HydrophobicContact CD1-CE2 4.25Å; Y129-Y137 HydrophobicContact CE1-CE2 4.19Å; Y129-V242 HydrophobicContact CD1-CG1 4.26Å; Y129-V242 HydrophobicContact CD2-CB 4.48Å; Y129-V242 HydrophobicContact CD2-CG1 3.95Å; Y129-V242 HydrophobicContact CE1-CG1 4.11Å; Y129-V242 HydrophobicContact CE2-CG1 3.8Å; Y129-V242 HydrophobicContact CG-CG1 4.19Å
130	S	95.2	Very high	93.4	Very high	47 Å²	47	51.1 Å²	51.1	33%	0.329	27%	0.268	S	S	.	.			trans	-70.2	167.3	172.9	96.4	0	0	0	0	111.7	E132 E133 C134	S130-E132 VanDerWaalsContact C-N 3.26Å; S130-E132 WeakPolarHBondContact CB-OE2 3.47Å; S130-E132 PolarHBondContact O-N 3.36Å; S130-E132 PolarHBondContact OG-N 2.9Å; S130-E132 PolarHBondContact OG-OE2 3.06Å; S130-E133 PolarHBondContact N-OE2 3.39Å; S130-E133 PolarHBondContact O-N 2.74Å; S130-E133 PolarHBondContact OG-N 2.77Å; S130-C134 WeakPolarHBondContact O-CB 3.45Å; S130-C134 PolarHBondContact O-N 2.8Å; S130-C134 PolarHBondContact O-SG 2.93Å
131	E	94.8	Very high	93.4	Very high	105 Å²	105	51.1 Å²	51.1	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-36.5	176.2	-160.8	-172.7	113	0	0	111.7	C134 K135 I236	E131-C134 PolarHBondContact O-N 3.28Å; E131-K135 WeakPolarHBondContact O-CD 3.43Å; E131-K135 VanDerWaalsContact O-CG 3.23Å; E131-K135 WeakPolarHBondContact O-CG 3.28Å; E131-K135 PolarHBondContact O-N 3.5Å; E131-K135 WeakPolarHBondContact OE1-CE 3.34Å; E131-K135 IonicContact OE1-NZ 2.87Å; E131-K135 PolarHBondContact OE1-NZ 3.3Å; E131-I236 HydrophobicContact CG-CD1 3.93Å; E131-I236 HydrophobicContact CG-CG2 3.99Å; E131-I236 WeakPolarHBondContact OE1-CD1 3.48Å
132	E	94.8	Very high	93.5	Very high	108 Å²	108	51.4 Å²	51.4	51%	0.505	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-44	175.8	-60.2	63.1	-134	0	0	111.4	S130 K135 Q136	S130-E132 VanDerWaalsContact C-N 3.26Å; S130-E132 WeakPolarHBondContact CB-OE2 3.47Å; S130-E132 PolarHBondContact O-N 3.36Å; S130-E132 PolarHBondContact OG-N 2.9Å; S130-E132 PolarHBondContact OG-OE2 3.06Å; E132-K135 PolarHBondContact O-N 3.04Å; E132-Q136 WeakPolarHBondContact O-CG 3.39Å; E132-Q136 PolarHBondContact O-N 2.65Å
133	E	94.5	Very high	93.6	Very high	57 Å²	57	52 Å²	52	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-45.7	175	-63.8	-171.4	122.4	0	0	110.8	K122 Y129 S130 K135 Q136 Y137	K122-E133 VanDerWaalsContact CE-OE2 3.31Å; K122-E133 WeakPolarHBondContact CE-OE2 3.25Å; K122-E133 IonicContact NZ-OE1 2.7Å; K122-E133 PolarHBondContact NZ-OE1 3.18Å; K122-E133 IonicContact NZ-OE2 2.83Å; K122-E133 PolarHBondContact NZ-OE2 3Å; Y129-E133 WeakPolarHBondContact CA-OE2 3.26Å; Y129-E133 HydrophobicContact CD1-CB 4.23Å; S130-E133 PolarHBondContact N-OE2 3.39Å; S130-E133 PolarHBondContact O-N 2.74Å; S130-E133 PolarHBondContact OG-N 2.77Å; E133-K135 VanDerWaalsContact C-N 3.29Å; E133-K135 PolarHBondContact O-N 3.39Å; E133-Q136 WeakPolarHBondContact O-CB 3.4Å; E133-Q136 PolarHBondContact O-N 2.85Å; E133-Y137 VanDerWaalsContact O-CD2 3.25Å; E133-Y137 WeakPolarHBondContact O-CD2 3.47Å; E133-Y137 PolarHBondContact O-N 2.86Å
134	C	95.6	Very high	93.8	Very high	7 Å²	7	50.9 Å²	50.9	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-55.5	-42.1	174.1	-81	0	0	0	0	112.4	S130 E131 Q136 Y137 I236 P237	S130-C134 WeakPolarHBondContact O-CB 3.45Å; S130-C134 PolarHBondContact O-N 2.8Å; S130-C134 PolarHBondContact O-SG 2.93Å; E131-C134 PolarHBondContact O-N 3.28Å; C134-Q136 VanDerWaalsContact C-N 3.28Å; C134-Q136 PolarHBondContact O-N 3.28Å; C134-Y137 PolarHBondContact O-N 2.91Å; C134-Y137 VanDerWaalsContact O-N 3.09Å; C134-I236 HydrophobicContact CB-CG2 4.04Å; C134-P237 VanDerWaalsContact CB-O 3.23Å; C134-P237 WeakPolarHBondContact CB-O 3.36Å; C134-P237 WeakPolarHBondContact O-CD 3.48Å; C134-P237 VanDerWaalsContact O-CG 3.24Å; C134-P237 WeakPolarHBondContact O-CG 3.25Å; C134-P237 PolarHBondContact SG-O 2.63Å
135	K	94.6	Very high	94	Very high	90 Å²	90	49.4 Å²	49.4	39%	0.391	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-36.6	175	-75.5	161.4	-172.4	157.5	0	112.5	E131 E132 E133 Y137 K138 I236	E131-K135 WeakPolarHBondContact O-CD 3.43Å; E131-K135 VanDerWaalsContact O-CG 3.23Å; E131-K135 WeakPolarHBondContact O-CG 3.28Å; E131-K135 PolarHBondContact O-N 3.5Å; E131-K135 WeakPolarHBondContact OE1-CE 3.34Å; E131-K135 IonicContact OE1-NZ 2.87Å; E131-K135 PolarHBondContact OE1-NZ 3.3Å; E132-K135 PolarHBondContact O-N 3.04Å; E133-K135 VanDerWaalsContact C-N 3.29Å; E133-K135 PolarHBondContact O-N 3.39Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 3.35Å; K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 2.9Å; K135-K138 VanDerWaalsContact O-N 3.08Å; K135-I236 HydrophobicContact CG-CG1 4.32Å; K135-I236 HydrophobicContact CG-CG2 4.27Å
136	Q	94.1	Very high	94.3	Very high	142 Å²	142	49 Å²	49	66%	0.664	26%	0.264	S	S	*	.	H	α-helix	trans	-63.4	-31.1	176.6	-62.7	168.9	20.4	0	0	112.4	E132 E133 C134 K138	E132-Q136 WeakPolarHBondContact O-CG 3.39Å; E132-Q136 PolarHBondContact O-N 2.65Å; E133-Q136 WeakPolarHBondContact O-CB 3.4Å; E133-Q136 PolarHBondContact O-N 2.85Å; C134-Q136 VanDerWaalsContact C-N 3.28Å; C134-Q136 PolarHBondContact O-N 3.28Å; Q136-K138 VanDerWaalsContact C-N 3.27Å; Q136-K138 PolarHBondContact O-N 3.34Å
137	Y	95.8	Very high	94.7	Very high	55 Å²	55	50.7 Å²	50.7	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.3	175.2	-71.4	-83.5	0	0	0	114.3	Y129 E133 C134 K135 A139 V140 V141 V242 T245	Y129-Y137 HydrophobicContact CD1-CE2 4.25Å; Y129-Y137 HydrophobicContact CE1-CE2 4.19Å; E133-Y137 VanDerWaalsContact O-CD2 3.25Å; E133-Y137 WeakPolarHBondContact O-CD2 3.47Å; E133-Y137 PolarHBondContact O-N 2.86Å; C134-Y137 PolarHBondContact O-N 2.91Å; C134-Y137 VanDerWaalsContact O-N 3.09Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 3.35Å; Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 2.85Å; Y137-V140 HydrophobicContact CD1-CG2 4.49Å; Y137-V140 WeakPolarHBondContact O-CB 3.35Å; Y137-V140 PolarHBondContact O-N 2.96Å; Y137-V141 WeakPolarHBondContact O-CG2 3.32Å; Y137-V141 PolarHBondContact O-N 3.35Å; Y137-V242 HydrophobicContact CD1-CG1 4.17Å; Y137-V242 HydrophobicContact CD2-CB 4.35Å; Y137-V242 HydrophobicContact CD2-CG1 3.79Å; Y137-V242 HydrophobicContact CD2-CG2 3.67Å; Y137-V242 HydrophobicContact CE1-CG1 4.04Å; Y137-V242 HydrophobicContact CE2-CG1 3.66Å; Y137-V242 HydrophobicContact CE2-CG2 4.34Å; Y137-V242 HydrophobicContact CG-CB 4.42Å; Y137-V242 HydrophobicContact CG-CG1 4.06Å; Y137-V242 HydrophobicContact CG-CG2 3.85Å; Y137-T245 HydrophobicContact CD1-CG2 4.24Å
138	K	94.9	Very high	95.1	Very high	44 Å²	44	45.9 Å²	45.9	19%	0.191	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-45.4	-177.3	-172.9	170.2	-179.1	164	0	112.1	K135 Q136 V140 V141 Y142 P233 Y235 P237	K135-K138 WeakPolarHBondContact O-CB 3.39Å; K135-K138 PolarHBondContact O-N 2.9Å; K135-K138 VanDerWaalsContact O-N 3.08Å; Q136-K138 VanDerWaalsContact C-N 3.27Å; Q136-K138 PolarHBondContact O-N 3.34Å; K138-V140 VanDerWaalsContact C-N 3.33Å; K138-V140 PolarHBondContact O-N 2.75Å; K138-V141 PolarHBondContact O-N 2.87Å; K138-Y142 HydrophobicContact CD-CE2 4.36Å; K138-Y142 WeakPolarHBondContact CE-OH 3.05Å; K138-Y142 HydrophobicContact CG-CD2 4.34Å; K138-Y142 HydrophobicContact CG-CE1 4.33Å; K138-Y142 HydrophobicContact CG-CE2 3.88Å; K138-Y142 PolarHBondContact O-N 3.02Å; K138-P233 PolarHBondContact NZ-O 3.12Å; K138-P233 VanDerWaalsContact NZ-O 3.09Å; K138-Y235 HydrophobicContact CD-CD1 4.45Å; K138-Y235 WeakPolarHBondContact CD-O 2.98Å; K138-Y235 WeakPolarHBondContact CE-O 3.31Å; K138-Y235 HydrophobicContact CG-CD1 4.21Å; K138-Y235 HydrophobicContact CG-CE1 4.44Å; K138-Y235 PolarHBondContact NZ-O 3.09Å; K138-P237 HydrophobicContact CB-CG 4.03Å
139	A	94	Very high	95.5	Very high	36 Å²	36	45.6 Å²	45.6	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-38.3	175	0	0	0	0	0	112.9	Y137 S143	Y137-A139 VanDerWaalsContact C-N 3.35Å; Y137-A139 PolarHBondContact O-N 2.85Å; A139-S143 WeakPolarHBondContact O-CB 3.36Å; A139-S143 PolarHBondContact O-N 2.89Å
140	V	95.6	Very high	95.6	Very high	35 Å²	35	45.4 Å²	45.4	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-43.4	178.3	-172	0	0	0	0	111.1	Y137 K138 S143 N144 T245 V247	Y137-V140 HydrophobicContact CD1-CG2 4.49Å; Y137-V140 WeakPolarHBondContact O-CB 3.35Å; Y137-V140 PolarHBondContact O-N 2.96Å; K138-V140 VanDerWaalsContact C-N 3.33Å; K138-V140 PolarHBondContact O-N 2.75Å; V140-S143 PolarHBondContact O-N 3.23Å; V140-N144 VanDerWaalsContact O-CB 3.26Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 VanDerWaalsContact O-CG 3.23Å; V140-N144 PolarHBondContact O-N 2.83Å; V140-N144 PolarHBondContact O-ND2 3.47Å; V140-T245 HydrophobicContact CB-CG2 4.12Å; V140-T245 HydrophobicContact CG1-CG2 3.87Å; V140-V247 HydrophobicContact CG1-CG2 3.61Å; V140-V247 HydrophobicContact CG2-CG2 4.36Å
141	V	96.8	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-47.9	175.3	172.6	0	0	0	0	110.8	Y137 K138 N144 T145 Y223 I230 Y235 P237 D241 T245	Y137-V141 WeakPolarHBondContact O-CG2 3.32Å; Y137-V141 PolarHBondContact O-N 3.35Å; K138-V141 PolarHBondContact O-N 2.87Å; V141-N144 PolarHBondContact O-N 3.33Å; V141-T145 WeakPolarHBondContact O-CB 3.32Å; V141-T145 PolarHBondContact O-N 3.29Å; V141-T145 PolarHBondContact O-OG1 2.7Å; V141-Y223 HydrophobicContact CB-CE1 4.42Å; V141-Y223 HydrophobicContact CG1-CD1 3.82Å; V141-Y223 HydrophobicContact CG1-CE1 3.66Å; V141-Y223 HydrophobicContact CG2-CE1 4.13Å; V141-I230 HydrophobicContact CG1-CD1 4.48Å; V141-I230 HydrophobicContact CG1-CG2 4.06Å; V141-Y235 HydrophobicContact CG1-CE1 4.23Å; V141-P237 HydrophobicContact CG2-CB 4.44Å; V141-P237 HydrophobicContact CG2-CG 4.34Å; V141-D241 HydrophobicContact CG2-CB 4.13Å; V141-T245 HydrophobicContact CG2-CG2 3.53Å
142	Y	95.8	Very high	95.9	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-47.4	178.6	-68.8	-7.2	0	0	0	111.7	K138 N144 T145 I146 G185 M187 I230 Y235	K138-Y142 HydrophobicContact CD-CE2 4.36Å; K138-Y142 WeakPolarHBondContact CE-OH 3.05Å; K138-Y142 HydrophobicContact CG-CD2 4.34Å; K138-Y142 HydrophobicContact CG-CE1 4.33Å; K138-Y142 HydrophobicContact CG-CE2 3.88Å; K138-Y142 PolarHBondContact O-N 3.02Å; Y142-N144 PolarHBondContact O-N 2.86Å; Y142-T145 WeakPolarHBondContact O-CB 3.18Å; Y142-T145 PolarHBondContact O-N 3.06Å; Y142-T145 VanDerWaalsContact O-N 3.16Å; Y142-I146 WeakPolarHBondContact O-CB 3.48Å; Y142-I146 VanDerWaalsContact O-CG1 3.3Å; Y142-I146 WeakPolarHBondContact O-CG1 3.42Å; Y142-I146 PolarHBondContact O-N 2.87Å; Y142-G185 WeakPolarHBondContact CD2-O 3.42Å; Y142-G185 VanDerWaalsContact CE2-O 3.29Å; Y142-G185 WeakPolarHBondContact CE2-O 3.33Å; Y142-M187 HydrophobicContact CD1-CB 4.29Å; Y142-M187 HydrophobicContact CD1-CE 4.16Å; Y142-M187 HydrophobicContact CD1-SD 4.44Å; Y142-M187 HydrophobicContact CD2-CB 3.8Å; Y142-M187 HydrophobicContact CE1-CB 4.13Å; Y142-M187 HydrophobicContact CE1-SD 4.5Å; Y142-M187 HydrophobicContact CE2-CB 3.63Å; Y142-M187 HydrophobicContact CG-CB 4.11Å; Y142-M187 HydrophobicContact CG-CE 4.27Å; Y142-I230 HydrophobicContact CD1-CG2 3.7Å; Y142-I230 HydrophobicContact CE1-CG2 3.48Å; Y142-I230 VanDerWaalsContact CE1-CG2 3.48Å; Y142-I230 WeakPolarHBondContact CE1-O 3.22Å; Y142-I230 PolarHBondContact OH-O 3.31Å; Y142-Y235 AromaticContact CE1-CD1 3.6Å; Y142-Y235 HydrophobicContact CE1-CD1 3.6Å; Y142-Y235 AromaticContact CE1-CE1 3.8Å; Y142-Y235 HydrophobicContact CE1-CE1 3.8Å; Y142-Y235 AromaticContact CZ-CD1 3.9Å
143	S	94.5	Very high	96.1	Very high	49 Å²	49	34.9 Å²	34.9	34%	0.343	18%	0.18	S	C	.	.	H	α-helix	trans	-57.8	-46.6	175.8	-176.2	0	0	0	0	111.9	A139 V140 T145 Q147	A139-S143 WeakPolarHBondContact O-CB 3.36Å; A139-S143 PolarHBondContact O-N 2.89Å; V140-S143 PolarHBondContact O-N 3.23Å; S143-T145 PolarHBondContact O-N 3.11Å; S143-Q147 VanDerWaalsContact O-CB 3.24Å; S143-Q147 WeakPolarHBondContact O-CB 3.33Å; S143-Q147 WeakPolarHBondContact O-CG 3Å; S143-Q147 PolarHBondContact O-N 3.46Å; S143-Q147 PolarHBondContact OG-NE2 2.55Å; S143-Q147 VanDerWaalsContact OG-NE2 3.1Å
144	N	96.2	Very high	96.3	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-40.4	175.3	-79	-163.3	0	0	0	112.7	V140 V141 Y142 S148 Y223 R246	V140-N144 VanDerWaalsContact O-CB 3.26Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 VanDerWaalsContact O-CG 3.23Å; V140-N144 PolarHBondContact O-N 2.83Å; V140-N144 PolarHBondContact O-ND2 3.47Å; V141-N144 PolarHBondContact O-N 3.33Å; Y142-N144 PolarHBondContact O-N 2.86Å; N144-S148 VanDerWaalsContact O-CB 3.3Å; N144-S148 WeakPolarHBondContact O-CB 3.11Å; N144-S148 PolarHBondContact O-N 3.38Å; N144-S148 PolarHBondContact O-OG 2.78Å; N144-Y223 HydrophobicContact CB-CD2 4.37Å; N144-Y223 HydrophobicContact CB-CE2 4.07Å; N144-R246 PolarHBondContact ND2-O 3.34Å; N144-R246 VanDerWaalsContact ND2-O 3.09Å; N144-R246 PolarHBondContact OD1-N 3.27Å
145	T	97.1	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-51.7	179.2	-54.3	0	0	0	0	110.8	V141 Y142 S143 S148 I149 M187 Y223 L224 L227	V141-T145 WeakPolarHBondContact O-CB 3.32Å; V141-T145 PolarHBondContact O-N 3.29Å; V141-T145 PolarHBondContact O-OG1 2.7Å; Y142-T145 WeakPolarHBondContact O-CB 3.18Å; Y142-T145 PolarHBondContact O-N 3.06Å; Y142-T145 VanDerWaalsContact O-N 3.16Å; S143-T145 PolarHBondContact O-N 3.11Å; T145-S148 PolarHBondContact O-N 2.84Å; T145-I149 PolarHBondContact O-N 3.48Å; T145-M187 HydrophobicContact CG2-CE 4.37Å; T145-Y223 WeakPolarHBondContact OG1-CB 3.25Å; T145-L224 HydrophobicContact CG2-CD2 3.97Å; T145-L227 HydrophobicContact CG2-CD1 4.08Å
146	I	95.7	Very high	96.6	Very high	20 Å²	20	35.1 Å²	35.1	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-44	-179.4	-65.6	163.8	0	0	0	110.9	Y142 S148 I149 I150 A179 M187 L191 I195	Y142-I146 WeakPolarHBondContact O-CB 3.48Å; Y142-I146 VanDerWaalsContact O-CG1 3.3Å; Y142-I146 WeakPolarHBondContact O-CG1 3.42Å; Y142-I146 PolarHBondContact O-N 2.87Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3.06Å; I146-I149 VanDerWaalsContact O-CG2 3.23Å; I146-I149 WeakPolarHBondContact O-CG2 3.26Å; I146-I150 HydrophobicContact CG2-CD1 3.75Å; I146-I150 WeakPolarHBondContact O-CB 3.02Å; I146-I150 VanDerWaalsContact O-CG1 3.3Å; I146-I150 WeakPolarHBondContact O-CG1 3.49Å; I146-I150 PolarHBondContact O-N 3.31Å; I146-A179 HydrophobicContact CG2-CB 3.59Å; I146-M187 HydrophobicContact CD1-CE 3.98Å; I146-M187 HydrophobicContact CG1-CE 3.82Å; I146-L191 HydrophobicContact CD1-CD2 3.79Å; I146-L191 HydrophobicContact CG1-CD2 4.17Å; I146-I195 HydrophobicContact CG1-CD1 4.18Å
147	Q	95.6	Very high	96.7	Very high	117 Å²	117	31.4 Å²	31.4	55%	0.547	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-35.4	176.4	-72.1	176.9	16.3	0	0	112.6	S143 A151	S143-Q147 VanDerWaalsContact O-CB 3.24Å; S143-Q147 WeakPolarHBondContact O-CB 3.33Å; S143-Q147 WeakPolarHBondContact O-CG 3Å; S143-Q147 PolarHBondContact O-N 3.46Å; S143-Q147 PolarHBondContact OG-NE2 2.55Å; S143-Q147 VanDerWaalsContact OG-NE2 3.1Å; Q147-A151 WeakPolarHBondContact O-CB 3.27Å; Q147-A151 PolarHBondContact O-N 2.63Å
148	S	97.7	Very high	96.7	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-49.2	179.4	-62.9	0	0	0	0	111.9	N144 T145 I146 A151 I152	N144-S148 VanDerWaalsContact O-CB 3.3Å; N144-S148 WeakPolarHBondContact O-CB 3.11Å; N144-S148 PolarHBondContact O-N 3.38Å; N144-S148 PolarHBondContact O-OG 2.78Å; T145-S148 PolarHBondContact O-N 2.84Å; I146-S148 VanDerWaalsContact C-N 3.32Å; I146-S148 PolarHBondContact O-N 3.06Å; S148-A151 PolarHBondContact O-N 2.83Å; S148-I152 WeakPolarHBondContact O-CG1 3.36Å; S148-I152 PolarHBondContact O-N 3.43Å; S148-I152 VanDerWaalsContact O-N 3.16Å
149	I	98.1	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-39.6	176.6	-173.4	65.8	0	0	0	111.7	T145 I146 A151 I152 I153 L175 I195 L198 V204 L224	T145-I149 PolarHBondContact O-N 3.48Å; I146-I149 VanDerWaalsContact O-CG2 3.23Å; I146-I149 WeakPolarHBondContact O-CG2 3.26Å; I149-A151 VanDerWaalsContact C-N 3.31Å; I149-A151 PolarHBondContact O-N 3.26Å; I149-I152 PolarHBondContact O-N 2.87Å; I149-I153 HydrophobicContact CD1-CG1 4.33Å; I149-I153 HydrophobicContact CG1-CG1 4.28Å; I149-I153 WeakPolarHBondContact O-CG1 3.32Å; I149-I153 PolarHBondContact O-N 3.43Å; I149-L175 HydrophobicContact CG1-CD2 3.91Å; I149-L175 HydrophobicContact CG2-CD1 4.08Å; I149-L175 HydrophobicContact CG2-CD2 4.09Å; I149-I195 HydrophobicContact CB-CG2 4.21Å; I149-I195 HydrophobicContact CG1-CG2 4.18Å; I149-I195 HydrophobicContact CG2-CD1 4.08Å; I149-I195 HydrophobicContact CG2-CG1 3.98Å; I149-I195 HydrophobicContact CG2-CG2 4.05Å; I149-L198 HydrophobicContact CD1-CB 4.2Å; I149-V204 HydrophobicContact CD1-CG1 4.16Å; I149-L224 HydrophobicContact CB-CD2 4.03Å
150	I	97.3	Very high	96.9	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-41	173.9	-78.7	172.5	0	0	0	112	I146 R154 L175 F176 A179	I146-I150 HydrophobicContact CG2-CD1 3.75Å; I146-I150 WeakPolarHBondContact O-CB 3.02Å; I146-I150 VanDerWaalsContact O-CG1 3.3Å; I146-I150 WeakPolarHBondContact O-CG1 3.49Å; I146-I150 PolarHBondContact O-N 3.31Å; I150-R154 WeakPolarHBondContact O-CB 3.48Å; I150-R154 VanDerWaalsContact O-CG 3.27Å; I150-R154 WeakPolarHBondContact O-CG 3.41Å; I150-R154 PolarHBondContact O-N 3.01Å; I150-L175 HydrophobicContact CG1-CD2 4.12Å; I150-L175 HydrophobicContact CG1-CG 4.2Å; I150-F176 HydrophobicContact CG1-CE1 4.28Å; I150-F176 HydrophobicContact CG2-CE1 4.04Å; I150-A179 HydrophobicContact CD1-CB 3.69Å
151	A	97.9	Very high	97.1	Very high	25 Å²	25	44.8 Å²	44.8	21%	0.207	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-43.5	177.5	0	0	0	0	0	111.6	Q147 S148 I149 R154 A155 L216	Q147-A151 WeakPolarHBondContact O-CB 3.27Å; Q147-A151 PolarHBondContact O-N 2.63Å; S148-A151 PolarHBondContact O-N 2.83Å; I149-A151 VanDerWaalsContact C-N 3.31Å; I149-A151 PolarHBondContact O-N 3.26Å; A151-R154 PolarHBondContact O-N 3.36Å; A151-A155 WeakPolarHBondContact O-CB 3.48Å; A151-A155 PolarHBondContact O-N 2.98Å; A151-L216 HydrophobicContact CB-CD1 3.91Å
152	I	98.6	Very high	97.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-49	177.5	-60.8	159.6	0	0	0	110.8	S148 I149 R154 A155 M156 W199 V204 C207 F208 Y214 L216 L224	S148-I152 WeakPolarHBondContact O-CG1 3.36Å; S148-I152 PolarHBondContact O-N 3.43Å; S148-I152 VanDerWaalsContact O-N 3.16Å; I149-I152 PolarHBondContact O-N 2.87Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 2.91Å; I152-A155 WeakPolarHBondContact O-CA 3.39Å; I152-A155 WeakPolarHBondContact O-CB 3.14Å; I152-A155 PolarHBondContact O-N 3.21Å; I152-M156 PolarHBondContact O-N 2.96Å; I152-W199 HydrophobicContact CD1-CE3 4.5Å; I152-W199 HydrophobicContact CD1-CZ3 3.9Å; I152-V204 HydrophobicContact CG2-CG1 3.89Å; I152-C207 HydrophobicContact CG2-CB 4.05Å; I152-F208 HydrophobicContact CD1-CD2 3.96Å; I152-Y214 HydrophobicContact CG1-CE2 4.38Å; I152-L216 HydrophobicContact CD1-CD1 4.37Å; I152-L216 HydrophobicContact CD1-CD2 4.27Å; I152-L216 HydrophobicContact CG1-CD1 3.97Å; I152-L216 HydrophobicContact CG1-CD2 4Å; I152-L224 HydrophobicContact CD1-CD1 3.98Å
153	I	98.3	Very high	97.2	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-37.8	179.1	-61.8	-60.3	0	0	0	111.8	I149 A155 M156 F163 A172 L175 F176 L198 V204	I149-I153 HydrophobicContact CD1-CG1 4.33Å; I149-I153 HydrophobicContact CG1-CG1 4.28Å; I149-I153 WeakPolarHBondContact O-CG1 3.32Å; I149-I153 PolarHBondContact O-N 3.43Å; I153-A155 VanDerWaalsContact C-N 3.35Å; I153-M156 HydrophobicContact CD1-SD 3.95Å; I153-M156 PolarHBondContact O-N 2.86Å; I153-F163 HydrophobicContact CD1-CE1 3.95Å; I153-F163 HydrophobicContact CD1-CZ 4.37Å; I153-A172 HydrophobicContact CG2-CB 3.94Å; I153-L175 HydrophobicContact CG1-CD2 3.96Å; I153-F176 HydrophobicContact CB-CZ 4.45Å; I153-F176 HydrophobicContact CG2-CE2 3.83Å; I153-F176 HydrophobicContact CG2-CZ 3.91Å; I153-L198 HydrophobicContact CD1-CD1 4.32Å; I153-L198 HydrophobicContact CD1-CD2 4.02Å; I153-L198 HydrophobicContact CG1-CD1 4.41Å; I153-V204 HydrophobicContact CD1-CG2 3.76Å
154	R	97.7	Very high	97.4	Very high	150 Å²	150	53.7 Å²	53.7	57%	0.566	28%	0.276	S	S	*	.	H	α-helix	trans	-66.4	-35.7	172.5	-74.7	174.6	175.6	167	1.6	112.5	I150 A151 I152 R158 F176	I150-R154 WeakPolarHBondContact O-CB 3.48Å; I150-R154 VanDerWaalsContact O-CG 3.27Å; I150-R154 WeakPolarHBondContact O-CG 3.41Å; I150-R154 PolarHBondContact O-N 3.01Å; A151-R154 PolarHBondContact O-N 3.36Å; I152-R154 VanDerWaalsContact C-N 3.32Å; I152-R154 PolarHBondContact O-N 2.91Å; R154-R158 PolarHBondContact O-N 3.2Å; R154-F176 HydrophobicContact CG-CE1 4.13Å; R154-F176 HydrophobicContact CG-CZ 3.94Å
155	A	98.1	Very high	97.4	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-37	176.8	0	0	0	0	0	112.2	A151 I152 I153 G157 R158 L159 Y214	A151-A155 WeakPolarHBondContact O-CB 3.48Å; A151-A155 PolarHBondContact O-N 2.98Å; I152-A155 WeakPolarHBondContact O-CA 3.39Å; I152-A155 WeakPolarHBondContact O-CB 3.14Å; I152-A155 PolarHBondContact O-N 3.21Å; I153-A155 VanDerWaalsContact C-N 3.35Å; A155-G157 VanDerWaalsContact C-N 3.32Å; A155-G157 PolarHBondContact O-N 3.27Å; A155-R158 PolarHBondContact O-N 3.37Å; A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CG 3.22Å; A155-L159 PolarHBondContact O-N 2.99Å; A155-Y214 HydrophobicContact CB-CD1 3.41Å; A155-Y214 VanDerWaalsContact CB-CD1 3.41Å; A155-Y214 HydrophobicContact CB-CD2 3.69Å; A155-Y214 HydrophobicContact CB-CE1 3.42Å; A155-Y214 VanDerWaalsContact CB-CE1 3.42Å; A155-Y214 HydrophobicContact CB-CE2 3.7Å; A155-Y214 HydrophobicContact CB-CG 3.54Å
156	M	98.2	Very high	97.3	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-52.7	-48.4	174.1	-71.7	-179.8	73.8	0	0	112	I152 I153 R158 L159 K160 I161 F163 V204 C207	I152-M156 PolarHBondContact O-N 2.96Å; I153-M156 HydrophobicContact CD1-SD 3.95Å; I153-M156 PolarHBondContact O-N 2.86Å; M156-R158 VanDerWaalsContact C-N 3.32Å; M156-R158 PolarHBondContact O-N 3.39Å; M156-L159 PolarHBondContact O-N 3.23Å; M156-K160 WeakPolarHBondContact O-CA 3.44Å; M156-K160 PolarHBondContact O-N 3.08Å; M156-I161 HydrophobicContact CB-CB 4.47Å; M156-I161 HydrophobicContact CE-CG2 4.28Å; M156-I161 WeakPolarHBondContact CE-O 3.29Å; M156-I161 HydrophobicContact CG-CB 4.43Å; M156-I161 PolarHBondContact O-N 3.2Å; M156-F163 HydrophobicContact CE-CD1 3.55Å; M156-F163 HydrophobicContact CE-CE1 3.66Å; M156-F163 HydrophobicContact CE-CG 4.04Å; M156-F163 HydrophobicContact CE-CZ 4.22Å; M156-F163 HydrophobicContact SD-CD1 4.23Å; M156-F163 HydrophobicContact SD-CE1 3.78Å; M156-F163 HydrophobicContact SD-CZ 4.34Å; M156-V204 HydrophobicContact CE-CG2 4.19Å; M156-V204 HydrophobicContact SD-CB 4.24Å; M156-V204 HydrophobicContact SD-CG2 3.54Å; M156-V204 VanDerWaalsContact SD-CG2 3.54Å; M156-C207 HydrophobicContact CG-CB 3.48Å; M156-C207 VanDerWaalsContact CG-CB 3.48Å; M156-C207 VanDerWaalsContact CG-SG 3.55Å; M156-C207 PolarHBondContact N-SG 2.81Å; M156-C207 VanDerWaalsContact N-SG 3.45Å; M156-C207 HydrophobicContact SD-CB 4.44Å
157	G	96.2	Very high	97.3	Very high	64 Å²	64	62.3 Å²	62.3	66%	0.66	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-31.8	178	0	0	0	0	0	114.2	A155	A155-G157 VanDerWaalsContact C-N 3.32Å; A155-G157 PolarHBondContact O-N 3.27Å
158	R	95.9	Very high	97.4	Very high	197 Å²	197	58.9 Å²	58.9	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-76	-44.2	175.7	-68.4	179.9	178	-164.6	-2.3	112.3	R154 A155 M156 K160	R154-R158 PolarHBondContact O-N 3.2Å; A155-R158 PolarHBondContact O-N 3.37Å; M156-R158 VanDerWaalsContact C-N 3.32Å; M156-R158 PolarHBondContact O-N 3.39Å; R158-K160 VanDerWaalsContact C-N 3.25Å; R158-K160 PolarHBondContact O-N 3.33Å
159	L	97.3	Very high	97.3	Very high	40 Å²	40	60 Å²	60	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-81.6	-3.4	-178.2	-61.2	-176.8	0	0	0	113.2	A155 M156 I161 R210 E213 Y214	A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CG 3.22Å; A155-L159 PolarHBondContact O-N 2.99Å; M156-L159 PolarHBondContact O-N 3.23Å; L159-I161 HydrophobicContact CB-CD1 3.79Å; L159-I161 HydrophobicContact CB-CG1 3.88Å; L159-I161 HydrophobicContact CD1-CD1 4.02Å; L159-R210 HydrophobicContact CD1-CB 4.21Å; L159-E213 HydrophobicContact CD1-CB 4.34Å; L159-E213 HydrophobicContact CD2-CB 4.22Å; L159-E213 WeakPolarHBondContact CD2-OE2 3.42Å; L159-Y214 HydrophobicContact CD1-CD1 4.13Å; L159-Y214 HydrophobicContact CD1-CE1 4.15Å
160	K	97.4	Very high	97.3	Very high	186 Å²	186	64.1 Å²	64.1	81%	0.809	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	50	-176.2	-56.6	179.5	-178.1	178.5	0	111.9	M156 R158	M156-K160 WeakPolarHBondContact O-CA 3.44Å; M156-K160 PolarHBondContact O-N 3.08Å; R158-K160 VanDerWaalsContact C-N 3.25Å; R158-K160 PolarHBondContact O-N 3.33Å
161	I	97.9	Very high	97.3	Very high	28 Å²	28	63.5 Å²	63.5	14%	0.144	35%	0.346	C	S	.	.			trans	-100.2	115.2	175.2	-58.3	172.4	0	0	0	107.3	M156 L159 G203 A206 C207	M156-I161 HydrophobicContact CB-CB 4.47Å; M156-I161 HydrophobicContact CE-CG2 4.28Å; M156-I161 WeakPolarHBondContact CE-O 3.29Å; M156-I161 HydrophobicContact CG-CB 4.43Å; M156-I161 PolarHBondContact O-N 3.2Å; L159-I161 HydrophobicContact CB-CD1 3.79Å; L159-I161 HydrophobicContact CB-CG1 3.88Å; L159-I161 HydrophobicContact CD1-CD1 4.02Å; I161-G203 WeakPolarHBondContact CG2-O 3.35Å; I161-A206 HydrophobicContact CG2-CB 4.48Å; I161-C207 HydrophobicContact CD1-CB 3.78Å
162	D	98	Very high	97.2	Very high	140 Å²	140	62.7 Å²	62.7	75%	0.749	34%	0.34	S	S	*	.			trans	-72.4	158.2	175	-62.8	-49.3	0	0	0	111.4	G203	D162-G203 WeakPolarHBondContact O-CA 3.34Å
163	F	98.4	Very high	97.1	Very high	54 Å²	54	69.3 Å²	69.3	24%	0.237	37%	0.365	C	S	.	.			trans	-69.7	148.2	170.1	-64.7	-76.7	0	0	0	110.8	I153 M156 D165 R168 A169 A172 L198 V204	I153-F163 HydrophobicContact CD1-CE1 3.95Å; I153-F163 HydrophobicContact CD1-CZ 4.37Å; M156-F163 HydrophobicContact CE-CD1 3.55Å; M156-F163 HydrophobicContact CE-CE1 3.66Å; M156-F163 HydrophobicContact CE-CG 4.04Å; M156-F163 HydrophobicContact CE-CZ 4.22Å; M156-F163 HydrophobicContact SD-CD1 4.23Å; M156-F163 HydrophobicContact SD-CE1 3.78Å; M156-F163 HydrophobicContact SD-CZ 4.34Å; F163-D165 VanDerWaalsContact C-N 3.34Å; F163-D165 VanDerWaalsContact CB-O 3.3Å; F163-D165 WeakPolarHBondContact CB-O 3.33Å; F163-R168 HydrophobicContact CB-CB 4.11Å; F163-R168 HydrophobicContact CD1-CB 3.61Å; F163-R168 HydrophobicContact CE1-CB 4.18Å; F163-R168 HydrophobicContact CG-CB 3.86Å; F163-A169 HydrophobicContact CD2-CB 4.28Å; F163-A169 HydrophobicContact CE2-CB 4.25Å; F163-A172 HydrophobicContact CE1-CB 4.42Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.66Å; F163-L198 HydrophobicContact CE1-CD2 4.06Å; F163-V204 HydrophobicContact CD1-CG2 4.11Å; F163-V204 HydrophobicContact CE1-CG2 4Å
164	G	97.6	Very high	97	Very high	49 Å²	49	72.4 Å²	72.4	51%	0.505	38%	0.379	S	S	.	.	S	Bend	trans	-67.6	-36.3	171.3	0	0	0	0	0	112.5	D201 S202	G164-D201 WeakPolarHBondContact CA-OD2 3.35Å; G164-D201 VanDerWaalsContact N-CG 3.32Å; G164-D201 PolarHBondContact N-OD1 3.35Å; G164-D201 PolarHBondContact N-OD2 3.36Å; G164-S202 WeakPolarHBondContact CA-OG 3.31Å
165	D	97.1	Very high	97	Very high	63 Å²	63	65.2 Å²	65.2	34%	0.337	35%	0.352	S	S	.	.	S	Bend	trans	-116.5	122.2	170.3	164.6	21.6	0	0	0	110.1	F163 A167 R168 D201	F163-D165 VanDerWaalsContact C-N 3.34Å; F163-D165 VanDerWaalsContact CB-O 3.3Å; F163-D165 WeakPolarHBondContact CB-O 3.33Å; D165-A167 PolarHBondContact O-N 2.9Å; D165-A167 VanDerWaalsContact O-N 3.17Å; D165-A167 WeakPolarHBondContact OD1-CB 3.47Å; D165-A167 PolarHBondContact OD1-N 3.27Å; D165-R168 HydrophobicContact CB-CG 4.04Å; D165-R168 VanDerWaalsContact O-CB 3.26Å; D165-R168 WeakPolarHBondContact O-CB 3.45Å; D165-R168 VanDerWaalsContact O-CG 3.3Å; D165-R168 WeakPolarHBondContact O-CG 3.26Å; D165-R168 PolarHBondContact O-N 3.34Å; D165-R168 IonicContact OD2-CZ 2.6Å; D165-R168 IonicContact OD2-NE 3.74Å; D165-R168 PolarHBondContact OD2-NE 2.65Å; D165-R168 IonicContact OD2-NH2 3.83Å; D165-R168 PolarHBondContact OD2-NH2 3.01Å; D165-D201 PolarHBondContact N-OD2 2.98Å
166	S	94.8	Very high	96.8	Very high	105 Å²	105	68.9 Å²	68.9	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	-178.1	56.7	0	0	0	0	113.7	R168 A169	S166-R168 PolarHBondContact O-N 2.9Å; S166-A169 WeakPolarHBondContact O-CB 3.38Å; S166-A169 PolarHBondContact O-N 3.1Å
167	A	94.8	Very high	96.6	Very high	42 Å²	42	73.7 Å²	73.7	35%	0.347	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.2	174.3	0	0	0	0	0	112.7	D165 A169 D170	D165-A167 PolarHBondContact O-N 2.9Å; D165-A167 VanDerWaalsContact O-N 3.17Å; D165-A167 WeakPolarHBondContact OD1-CB 3.47Å; D165-A167 PolarHBondContact OD1-N 3.27Å; A167-A169 PolarHBondContact O-N 2.84Å; A167-A169 VanDerWaalsContact O-N 3.14Å; A167-D170 PolarHBondContact O-N 2.89Å; A167-D170 VanDerWaalsContact O-N 3.12Å
168	R	97.8	Very high	96.4	Very high	46 Å²	46	72.3 Å²	72.3	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-16.6	175.6	-57.5	-52.4	115.8	-146	-1.3	113.4	F163 D165 S166 D170 D171 A172 L198 D201	F163-R168 HydrophobicContact CB-CB 4.11Å; F163-R168 HydrophobicContact CD1-CB 3.61Å; F163-R168 HydrophobicContact CE1-CB 4.18Å; F163-R168 HydrophobicContact CG-CB 3.86Å; D165-R168 HydrophobicContact CB-CG 4.04Å; D165-R168 VanDerWaalsContact O-CB 3.26Å; D165-R168 WeakPolarHBondContact O-CB 3.45Å; D165-R168 VanDerWaalsContact O-CG 3.3Å; D165-R168 WeakPolarHBondContact O-CG 3.26Å; D165-R168 PolarHBondContact O-N 3.34Å; D165-R168 IonicContact OD2-CZ 2.6Å; D165-R168 IonicContact OD2-NE 3.74Å; D165-R168 PolarHBondContact OD2-NE 2.65Å; D165-R168 IonicContact OD2-NH2 3.83Å; D165-R168 PolarHBondContact OD2-NH2 3.01Å; S166-R168 PolarHBondContact O-N 2.9Å; R168-D170 PolarHBondContact O-N 2.89Å; R168-D171 IonicContact CZ-OD2 2.69Å; R168-D171 IonicContact NE-OD2 2.77Å; R168-D171 IonicContact NH1-OD1 3.46Å; R168-D171 IonicContact NH1-OD2 3.15Å; R168-D171 PolarHBondContact NH1-OD2 2.92Å; R168-D171 PolarHBondContact O-N 2.84Å; R168-A172 PolarHBondContact O-N 2.83Å; R168-L198 HydrophobicContact CB-CD2 4.1Å; R168-D201 HydrophobicContact CG-CB 4.04Å
169	A	96.4	Very high	96.1	Very high	27 Å²	27	64 Å²	64	22%	0.223	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-31.1	173.1	0	0	0	0	0	112.6	F163 S166 A167 R173	F163-A169 HydrophobicContact CD2-CB 4.28Å; F163-A169 HydrophobicContact CE2-CB 4.25Å; S166-A169 WeakPolarHBondContact O-CB 3.38Å; S166-A169 PolarHBondContact O-N 3.1Å; A167-A169 PolarHBondContact O-N 2.84Å; A167-A169 VanDerWaalsContact O-N 3.14Å; A169-R173 WeakPolarHBondContact O-CG 2.94Å; A169-R173 PolarHBondContact O-N 3.06Å; A169-R173 PolarHBondContact O-NH1 2.68Å
170	D	96.7	Very high	95.6	Very high	86 Å²	86	65.6 Å²	65.6	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-75.3	-41.4	173	-81.1	-62.2	0	0	0	112.1	A167 R168 A172 R173 Q174	A167-D170 PolarHBondContact O-N 2.89Å; A167-D170 VanDerWaalsContact O-N 3.12Å; R168-D170 PolarHBondContact O-N 2.89Å; D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 2.96Å; D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 3.41Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 2.61Å; D170-R173 VanDerWaalsContact OD1-CZ 3.24Å; D170-R173 IonicContact OD1-NE 2.62Å; D170-R173 PolarHBondContact OD1-NE 2.84Å; D170-R173 IonicContact OD1-NH2 3.28Å; D170-R173 PolarHBondContact OD1-NH2 3.07Å; D170-R173 IonicContact OD2-NH2 3.03Å; D170-R173 PolarHBondContact OD2-NH2 3.25Å; D170-Q174 WeakPolarHBondContact O-CG 3.34Å; D170-Q174 PolarHBondContact O-N 2.85Å
171	D	97.7	Very high	95	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.043	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-39.5	172.1	-64.2	-82.9	0	0	0	111.9	R168 R173 Q174 L175 V194 R197 L198	R168-D171 IonicContact CZ-OD2 2.69Å; R168-D171 IonicContact NE-OD2 2.77Å; R168-D171 IonicContact NH1-OD1 3.46Å; R168-D171 IonicContact NH1-OD2 3.15Å; R168-D171 PolarHBondContact NH1-OD2 2.92Å; R168-D171 PolarHBondContact O-N 2.84Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 2.93Å; D171-Q174 PolarHBondContact O-N 3.3Å; D171-L175 WeakPolarHBondContact O-CB 3.47Å; D171-L175 PolarHBondContact O-N 3.11Å; D171-V194 HydrophobicContact CB-CG1 4.14Å; D171-V194 VanDerWaalsContact O-CG1 3.24Å; D171-V194 WeakPolarHBondContact O-CG1 3.34Å; D171-R197 IonicContact OD1-CZ 3.24Å; D171-R197 IonicContact OD1-NE 2.69Å; D171-R197 PolarHBondContact OD1-NE 3.4Å; D171-R197 IonicContact OD1-NH2 3.03Å; D171-R197 PolarHBondContact OD1-NH2 3.44Å; D171-L198 HydrophobicContact CB-CD1 4.23Å; D171-L198 HydrophobicContact CB-CD2 3.77Å; D171-L198 HydrophobicContact CB-CG 3.8Å
172	A	97.1	Very high	94.1	Very high	9 Å²	9	61.1 Å²	61.1	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-38.9	175.5	0	0	0	0	0	111.9	I153 F163 R168 D170 F176 L198	I153-A172 HydrophobicContact CG2-CB 3.94Å; F163-A172 HydrophobicContact CE1-CB 4.42Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.66Å; R168-A172 PolarHBondContact O-N 2.83Å; D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 2.96Å; A172-F176 WeakPolarHBondContact O-CD2 3.41Å; A172-L198 HydrophobicContact CB-CD2 4.29Å
173	R	96.1	Very high	93.2	Very high	138 Å²	138	61.9 Å²	61.9	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-48.1	172.2	-72.6	-177.7	-78.7	-89.6	15.5	111.3	A169 D170 D171 L175 F176 V177	A169-R173 WeakPolarHBondContact O-CG 2.94Å; A169-R173 PolarHBondContact O-N 3.06Å; A169-R173 PolarHBondContact O-NH1 2.68Å; D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 3.41Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 2.61Å; D170-R173 VanDerWaalsContact OD1-CZ 3.24Å; D170-R173 IonicContact OD1-NE 2.62Å; D170-R173 PolarHBondContact OD1-NE 2.84Å; D170-R173 IonicContact OD1-NH2 3.28Å; D170-R173 PolarHBondContact OD1-NH2 3.07Å; D170-R173 IonicContact OD2-NH2 3.03Å; D170-R173 PolarHBondContact OD2-NH2 3.25Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 2.93Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 3.35Å; R173-F176 PolarHBondContact O-N 3.09Å; R173-V177 PolarHBondContact O-N 3.01Å
174	Q	96.1	Very high	92	Very high	79 Å²	79	68.5 Å²	68.5	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-40.8	178.1	-72.3	178.6	-9.2	0	0	112	D170 D171 F176 V177 L178 V194	D170-Q174 WeakPolarHBondContact O-CG 3.34Å; D170-Q174 PolarHBondContact O-N 2.85Å; D171-Q174 PolarHBondContact O-N 3.3Å; Q174-F176 VanDerWaalsContact C-N 3.33Å; Q174-F176 PolarHBondContact O-N 2.9Å; Q174-V177 PolarHBondContact O-N 2.82Å; Q174-L178 HydrophobicContact CB-CD1 4.43Å; Q174-L178 WeakPolarHBondContact O-CB 3.31Å; Q174-L178 WeakPolarHBondContact O-CG 3.46Å; Q174-L178 PolarHBondContact O-N 3.05Å; Q174-V194 HydrophobicContact CB-CG1 4.49Å; Q174-V194 HydrophobicContact CB-CG2 4.12Å
175	L	96.6	Very high	90.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-54.2	-47.5	177	175.3	63.7	0	0	0	111.8	I149 I150 I153 D171 R173 A179 L191 V194 I195 L198	I149-L175 HydrophobicContact CG1-CD2 3.91Å; I149-L175 HydrophobicContact CG2-CD1 4.08Å; I149-L175 HydrophobicContact CG2-CD2 4.09Å; I150-L175 HydrophobicContact CG1-CD2 4.12Å; I150-L175 HydrophobicContact CG1-CG 4.2Å; I153-L175 HydrophobicContact CG1-CD2 3.96Å; D171-L175 WeakPolarHBondContact O-CB 3.47Å; D171-L175 PolarHBondContact O-N 3.11Å; R173-L175 VanDerWaalsContact C-N 3.32Å; R173-L175 PolarHBondContact O-N 3.35Å; L175-A179 WeakPolarHBondContact O-CB 3.45Å; L175-A179 PolarHBondContact O-N 3.29Å; L175-L191 HydrophobicContact CD1-CD1 3.77Å; L175-V194 HydrophobicContact CB-CG1 3.85Å; L175-I195 HydrophobicContact CD1-CD1 4.24Å; L175-I195 HydrophobicContact CD1-CG1 3.73Å; L175-L198 HydrophobicContact CB-CD1 4.03Å; L175-L198 HydrophobicContact CD2-CD1 3.74Å; L175-L198 HydrophobicContact CG-CD1 4.4Å
176	F	94.7	Very high	90	Very high	80 Å²	80	70.5 Å²	70.5	35%	0.351	41%	0.406	S	S	.	.	H	α-helix	trans	-67.7	-35.6	-179.5	-70.8	-64.3	0	0	0	112.9	I150 I153 R154 A172 R173 Q174 G180	I150-F176 HydrophobicContact CG1-CE1 4.28Å; I150-F176 HydrophobicContact CG2-CE1 4.04Å; I153-F176 HydrophobicContact CB-CZ 4.45Å; I153-F176 HydrophobicContact CG2-CE2 3.83Å; I153-F176 HydrophobicContact CG2-CZ 3.91Å; R154-F176 HydrophobicContact CG-CE1 4.13Å; R154-F176 HydrophobicContact CG-CZ 3.94Å; A172-F176 WeakPolarHBondContact O-CD2 3.41Å; R173-F176 PolarHBondContact O-N 3.09Å; Q174-F176 VanDerWaalsContact C-N 3.33Å; Q174-F176 PolarHBondContact O-N 2.9Å; F176-G180 PolarHBondContact O-N 2.97Å; F176-G180 VanDerWaalsContact O-N 3.16Å
177	V	94.3	Very high	89.8	Confident	106 Å²	106	65.9 Å²	65.9	64%	0.642	37%	0.373	S	S	*	.	H	α-helix	trans	-69.4	-53.4	176.7	176.5	0	0	0	0	110.5	R173 Q174 A179 G180 A181	R173-V177 PolarHBondContact O-N 3.01Å; Q174-V177 PolarHBondContact O-N 2.82Å; V177-A179 PolarHBondContact O-N 3.1Å; V177-G180 PolarHBondContact O-N 3.35Å; V177-G180 VanDerWaalsContact O-N 3.16Å; V177-A181 PolarHBondContact O-N 3.44Å; V177-A181 VanDerWaalsContact O-N 3.11Å
178	L	92.1	Very high	89.7	Confident	36 Å²	36	66.5 Å²	66.5	19%	0.188	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-40.9	-178	-68	172.7	0	0	0	112	Q174 G180 A181 A182 E190 L191 V194	Q174-L178 HydrophobicContact CB-CD1 4.43Å; Q174-L178 WeakPolarHBondContact O-CB 3.31Å; Q174-L178 WeakPolarHBondContact O-CG 3.46Å; Q174-L178 PolarHBondContact O-N 3.05Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 3.48Å; L178-A181 CarbonylContact O-C 3.57Å; L178-A181 PolarHBondContact O-N 3.01Å; L178-A182 WeakPolarHBondContact O-CB 2.88Å; L178-A182 PolarHBondContact O-N 3.18Å; L178-E190 HydrophobicContact CD1-CG 3.9Å; L178-L191 HydrophobicContact CB-CB 4.41Å; L178-L191 HydrophobicContact CB-CD1 3.93Å; L178-L191 HydrophobicContact CD1-CB 4.39Å; L178-V194 HydrophobicContact CD1-CG2 4.06Å
179	A	89.9	Confident	89.4	Confident	23 Å²	23	68.5 Å²	68.5	19%	0.19	40%	0.399	C	S	.	.	H	α-helix	trans	-70.3	-26.4	175.9	0	0	0	0	0	113.4	I146 I150 L175 V177 A181	I146-A179 HydrophobicContact CG2-CB 3.59Å; I150-A179 HydrophobicContact CD1-CB 3.69Å; L175-A179 WeakPolarHBondContact O-CB 3.45Å; L175-A179 PolarHBondContact O-N 3.29Å; V177-A179 PolarHBondContact O-N 3.1Å; A179-A181 VanDerWaalsContact C-N 3.34Å
180	G	85.9	Confident	89.4	Confident	72 Å²	72	72.8 Å²	72.8	74%	0.742	42%	0.415	S	S	*	.	H	α-helix	trans	-75.8	-22.1	173	0	0	0	0	0	113.7	F176 V177 L178	F176-G180 PolarHBondContact O-N 2.97Å; F176-G180 VanDerWaalsContact O-N 3.16Å; V177-G180 PolarHBondContact O-N 3.35Å; V177-G180 VanDerWaalsContact O-N 3.16Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 3.48Å
181	A	84.8	Confident	89.3	Confident	80 Å²	80	68.8 Å²	68.8	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-103.4	-1.4	177.2	0	0	0	0	0	113.8	V177 L178 A179 E183	V177-A181 PolarHBondContact O-N 3.44Å; V177-A181 VanDerWaalsContact O-N 3.11Å; L178-A181 CarbonylContact O-C 3.57Å; L178-A181 PolarHBondContact O-N 3.01Å; A179-A181 VanDerWaalsContact C-N 3.34Å; A181-E183 PolarHBondContact O-N 2.85Å
182	A	80.1	Confident	89.3	Confident	40 Å²	40	68.8 Å²	68.8	33%	0.331	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-73	126.6	-176.6	0	0	0	0	0	111.6	L178 L191	L178-A182 WeakPolarHBondContact O-CB 2.88Å; L178-A182 PolarHBondContact O-N 3.18Å; A182-L191 HydrophobicContact CB-CD2 4.41Å
183	E	77.8	Confident	89.3	Confident	156 Å²	156	69.3 Å²	69.3	73%	0.729	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-68.5	143.6	171	-64.5	179.9	179.1	0	0	111.2	A181 G185 F186	A181-E183 PolarHBondContact O-N 2.85Å; E183-G185 PolarHBondContact O-N 3.45Å; E183-F186 PolarHBondContact O-N 3.37Å
184	E	73.5	Confident	89.4	Confident	193 Å²	193	62.8 Å²	62.8	90%	0.902	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	127.3	176.7	-65.8	-167.3	167.2	0	0	110.9
185	G	71.1	Confident	89.5	Confident	29 Å²	29	59 Å²	59	30%	0.299	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-4.6	-179.7	0	0	0	0	0	116	Y142 E183	Y142-G185 WeakPolarHBondContact CD2-O 3.42Å; Y142-G185 VanDerWaalsContact CE2-O 3.29Å; Y142-G185 WeakPolarHBondContact CE2-O 3.33Å; E183-G185 PolarHBondContact O-N 3.45Å
186	F	82.8	Confident	89.6	Confident	125 Å²	125	62.4 Å²	62.4	55%	0.548	37%	0.373	S	S	.	.			trans	-115.7	142.4	178.8	-155.9	-108.9	0	0	0	113.3	E183 T188	E183-F186 PolarHBondContact O-N 3.37Å; F186-T188 HydrophobicContact CD1-CG2 3.94Å; F186-T188 HydrophobicContact CE1-CG2 3.98Å
187	M	89.6	Confident	89.7	Confident	9 Å²	9	63.5 Å²	63.5	4%	0.044	38%	0.375	C	S	.	.			trans	-127.3	108.9	173.2	-179.9	161.3	-74.3	0	0	108.4	Y142 T145 I146 A192 L227 I230 A231	Y142-M187 HydrophobicContact CD1-CB 4.29Å; Y142-M187 HydrophobicContact CD1-CE 4.16Å; Y142-M187 HydrophobicContact CD1-SD 4.44Å; Y142-M187 HydrophobicContact CD2-CB 3.8Å; Y142-M187 HydrophobicContact CE1-CB 4.13Å; Y142-M187 HydrophobicContact CE1-SD 4.5Å; Y142-M187 HydrophobicContact CE2-CB 3.63Å; Y142-M187 HydrophobicContact CG-CB 4.11Å; Y142-M187 HydrophobicContact CG-CE 4.27Å; T145-M187 HydrophobicContact CG2-CE 4.37Å; I146-M187 HydrophobicContact CD1-CE 3.98Å; I146-M187 HydrophobicContact CG1-CE 3.82Å; M187-A192 HydrophobicContact CG-CB 4.21Å; M187-A192 HydrophobicContact SD-CB 4.32Å; M187-L227 HydrophobicContact SD-CD1 3.86Å; M187-I230 HydrophobicContact SD-CG2 4.45Å; M187-A231 HydrophobicContact CG-CB 4.42Å; M187-A231 HydrophobicContact SD-CB 4.13Å
188	T	91.9	Very high	89.9	Confident	54 Å²	54	58.5 Å²	58.5	33%	0.331	35%	0.345	S	S	.	.			trans	-71.1	148.6	179.2	69.4	0	0	0	0	110.6	F186 E190 L191 A192	F186-T188 HydrophobicContact CD1-CG2 3.94Å; F186-T188 HydrophobicContact CE1-CG2 3.98Å; T188-E190 PolarHBondContact O-N 3.11Å; T188-L191 PolarHBondContact O-N 3.36Å; T188-L191 VanDerWaalsContact OG1-CB 3.25Å; T188-L191 WeakPolarHBondContact OG1-CB 3.39Å; T188-L191 PolarHBondContact OG1-N 2.84Å; T188-L191 VanDerWaalsContact OG1-N 3.11Å; T188-A192 PolarHBondContact O-N 3.2Å
189	A	93.3	Very high	90.3	Very high	89 Å²	89	57.7 Å²	57.7	74%	0.736	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-31	175.8	0	0	0	0	0	112.4	G193	A189-G193 PolarHBondContact O-N 3.21Å
190	E	94.7	Very high	90.7	Very high	117 Å²	117	64.2 Å²	64.2	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-51	174.1	-172.7	-178.4	-170.8	0	0	111.7	L178 T188 A192 G193 V194	L178-E190 HydrophobicContact CD1-CG 3.9Å; T188-E190 PolarHBondContact O-N 3.11Å; E190-A192 PolarHBondContact O-N 2.67Å; E190-G193 PolarHBondContact O-N 2.68Å; E190-G193 VanDerWaalsContact O-N 3.14Å; E190-V194 WeakPolarHBondContact O-CG2 3.44Å; E190-V194 PolarHBondContact O-N 3.06Å
191	L	95.6	Very high	91.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-45.2	177.3	176.4	59	0	0	0	111.1	I146 L175 L178 A182 T188 G193 V194 I195	I146-L191 HydrophobicContact CD1-CD2 3.79Å; I146-L191 HydrophobicContact CG1-CD2 4.17Å; L175-L191 HydrophobicContact CD1-CD1 3.77Å; L178-L191 HydrophobicContact CB-CB 4.41Å; L178-L191 HydrophobicContact CB-CD1 3.93Å; L178-L191 HydrophobicContact CD1-CB 4.39Å; A182-L191 HydrophobicContact CB-CD2 4.41Å; T188-L191 PolarHBondContact O-N 3.36Å; T188-L191 VanDerWaalsContact OG1-CB 3.25Å; T188-L191 WeakPolarHBondContact OG1-CB 3.39Å; T188-L191 PolarHBondContact OG1-N 2.84Å; T188-L191 VanDerWaalsContact OG1-N 3.11Å; L191-G193 VanDerWaalsContact C-N 3.31Å; L191-G193 PolarHBondContact O-N 3.17Å; L191-V194 PolarHBondContact O-N 3.36Å; L191-I195 HydrophobicContact CD1-CD1 3.87Å; L191-I195 HydrophobicContact CD1-CG1 4.09Å; L191-I195 HydrophobicContact CG-CD1 3.92Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.17Å; L191-I195 PolarHBondContact O-N 2.88Å
192	A	96.8	Very high	91.9	Very high	9 Å²	9	61.3 Å²	61.3	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-41.7	174.2	0	0	0	0	0	111.8	M187 T188 E190 I195 K196 A231	M187-A192 HydrophobicContact CG-CB 4.21Å; M187-A192 HydrophobicContact SD-CB 4.32Å; T188-A192 PolarHBondContact O-N 3.2Å; E190-A192 PolarHBondContact O-N 2.67Å; A192-I195 PolarHBondContact O-N 3.26Å; A192-K196 VanDerWaalsContact O-CB 3.23Å; A192-K196 WeakPolarHBondContact O-CB 3.11Å; A192-K196 PolarHBondContact O-N 3.1Å; A192-A231 HydrophobicContact CB-CB 3.46Å; A192-A231 VanDerWaalsContact CB-CB 3.46Å
193	G	97.6	Very high	92.8	Very high	20 Å²	20	59.7 Å²	59.7	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175.1	0	0	0	0	0	113.3	A189 E190 L191 K196 R197	A189-G193 PolarHBondContact O-N 3.21Å; E190-G193 PolarHBondContact O-N 2.68Å; E190-G193 VanDerWaalsContact O-N 3.14Å; L191-G193 VanDerWaalsContact C-N 3.31Å; L191-G193 PolarHBondContact O-N 3.17Å; G193-K196 PolarHBondContact O-N 3.19Å; G193-R197 WeakPolarHBondContact O-CG 3.45Å; G193-R197 PolarHBondContact O-N 2.93Å; G193-R197 VanDerWaalsContact O-N 3.09Å; G193-R197 PolarHBondContact O-NH1 2.64Å
194	V	98.1	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-52.4	174.3	165.9	0	0	0	0	110.9	D171 Q174 L175 L178 E190 L191 K196 R197 L198	D171-V194 HydrophobicContact CB-CG1 4.14Å; D171-V194 VanDerWaalsContact O-CG1 3.24Å; D171-V194 WeakPolarHBondContact O-CG1 3.34Å; Q174-V194 HydrophobicContact CB-CG1 4.49Å; Q174-V194 HydrophobicContact CB-CG2 4.12Å; L175-V194 HydrophobicContact CB-CG1 3.85Å; L178-V194 HydrophobicContact CD1-CG2 4.06Å; E190-V194 WeakPolarHBondContact O-CG2 3.44Å; E190-V194 PolarHBondContact O-N 3.06Å; L191-V194 PolarHBondContact O-N 3.36Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 3.28Å; V194-R197 PolarHBondContact O-N 3.38Å; V194-L198 HydrophobicContact CG1-CD1 3.95Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 3.29Å
195	I	98.3	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-42.1	179.5	-62.8	172.1	0	0	0	110.6	I146 I149 L175 L191 A192 R197 L198 W199 L224 L227	I146-I195 HydrophobicContact CG1-CD1 4.18Å; I149-I195 HydrophobicContact CB-CG2 4.21Å; I149-I195 HydrophobicContact CG1-CG2 4.18Å; I149-I195 HydrophobicContact CG2-CD1 4.08Å; I149-I195 HydrophobicContact CG2-CG1 3.98Å; I149-I195 HydrophobicContact CG2-CG2 4.05Å; L175-I195 HydrophobicContact CD1-CD1 4.24Å; L175-I195 HydrophobicContact CD1-CG1 3.73Å; L191-I195 HydrophobicContact CD1-CD1 3.87Å; L191-I195 HydrophobicContact CD1-CG1 4.09Å; L191-I195 HydrophobicContact CG-CD1 3.92Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.17Å; L191-I195 PolarHBondContact O-N 2.88Å; A192-I195 PolarHBondContact O-N 3.26Å; I195-R197 PolarHBondContact O-N 2.77Å; I195-L198 PolarHBondContact O-N 3.13Å; I195-W199 WeakPolarHBondContact O-CB 3.41Å; I195-W199 PolarHBondContact O-N 3.09Å; I195-L224 HydrophobicContact CG2-CD2 3.61Å; I195-L227 HydrophobicContact CB-CD2 3.82Å; I195-L227 HydrophobicContact CG2-CD1 4.48Å; I195-L227 HydrophobicContact CG2-CD2 3.58Å
196	K	98.3	Very high	96.3	Very high	72 Å²	72	46.6 Å²	46.6	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-39.3	178.9	-171	176.2	-173.1	172.3	0	112.8	A192 G193 V194 K200 L227 D228	A192-K196 VanDerWaalsContact O-CB 3.23Å; A192-K196 WeakPolarHBondContact O-CB 3.11Å; A192-K196 PolarHBondContact O-N 3.1Å; G193-K196 PolarHBondContact O-N 3.19Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 3.28Å; K196-K200 WeakPolarHBondContact O-CG 3.42Å; K196-K200 PolarHBondContact O-N 3.22Å; K196-L227 HydrophobicContact CB-CD2 3.87Å; K196-D228 WeakPolarHBondContact CD-OD1 3.41Å; K196-D228 VanDerWaalsContact CE-OD1 3.26Å; K196-D228 WeakPolarHBondContact CE-OD1 3.48Å; K196-D228 VanDerWaalsContact CE-OD2 3.29Å; K196-D228 WeakPolarHBondContact CE-OD2 3.3Å; K196-D228 IonicContact NZ-OD1 2.73Å; K196-D228 PolarHBondContact NZ-OD1 3.39Å; K196-D228 IonicContact NZ-OD2 3.56Å; K196-D228 PolarHBondContact NZ-OD2 3.32Å
197	R	98.5	Very high	97	Very high	103 Å²	103	40.6 Å²	40.6	39%	0.389	23%	0.226	S	C	.	.	H	α-helix	trans	-71	-42.5	177.1	-70.1	-176.2	-54.9	-102.1	6.2	111.4	D171 G193 V194 I195 K200	D171-R197 IonicContact OD1-CZ 3.24Å; D171-R197 IonicContact OD1-NE 2.69Å; D171-R197 PolarHBondContact OD1-NE 3.4Å; D171-R197 IonicContact OD1-NH2 3.03Å; D171-R197 PolarHBondContact OD1-NH2 3.44Å; G193-R197 WeakPolarHBondContact O-CG 3.45Å; G193-R197 PolarHBondContact O-N 2.93Å; G193-R197 VanDerWaalsContact O-N 3.09Å; G193-R197 PolarHBondContact O-NH1 2.64Å; V194-R197 PolarHBondContact O-N 3.38Å; I195-R197 PolarHBondContact O-N 2.77Å; R197-K200 PolarHBondContact O-N 2.91Å
198	L	98.6	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-47.4	174.1	-70.9	170.6	0	0	0	111.8	I149 I153 F163 R168 D171 A172 L175 V194 I195 K200 D201 V204	I149-L198 HydrophobicContact CD1-CB 4.2Å; I153-L198 HydrophobicContact CD1-CD1 4.32Å; I153-L198 HydrophobicContact CD1-CD2 4.02Å; I153-L198 HydrophobicContact CG1-CD1 4.41Å; F163-L198 HydrophobicContact CE1-CD2 4.06Å; R168-L198 HydrophobicContact CB-CD2 4.1Å; D171-L198 HydrophobicContact CB-CD1 4.23Å; D171-L198 HydrophobicContact CB-CD2 3.77Å; D171-L198 HydrophobicContact CB-CG 3.8Å; A172-L198 HydrophobicContact CB-CD2 4.29Å; L175-L198 HydrophobicContact CB-CD1 4.03Å; L175-L198 HydrophobicContact CD2-CD1 3.74Å; L175-L198 HydrophobicContact CG-CD1 4.4Å; V194-L198 HydrophobicContact CG1-CD1 3.95Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 3.29Å; I195-L198 PolarHBondContact O-N 3.13Å; L198-K200 PolarHBondContact O-N 3.04Å; L198-D201 VanDerWaalsContact O-CB 3.25Å; L198-D201 WeakPolarHBondContact O-CB 3.21Å; L198-D201 PolarHBondContact O-N 3.35Å; L198-V204 VanDerWaalsContact O-CB 3.26Å; L198-V204 WeakPolarHBondContact O-CB 3.45Å; L198-V204 WeakPolarHBondContact O-CG1 3.31Å; L198-V204 VanDerWaalsContact O-CG2 3.27Å; L198-V204 WeakPolarHBondContact O-CG2 2.94Å
199	W	98.5	Very high	97.6	Very high	19 Å²	19	44.6 Å²	44.6	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-26.1	-177.5	-174.3	-126.1	0	0	0	113.5	I152 I195 D201 V204 Q205 F208 A221 L224 N225	I152-W199 HydrophobicContact CD1-CE3 4.5Å; I152-W199 HydrophobicContact CD1-CZ3 3.9Å; I195-W199 WeakPolarHBondContact O-CB 3.41Å; I195-W199 PolarHBondContact O-N 3.09Å; W199-D201 VanDerWaalsContact C-N 3.35Å; W199-V204 HydrophobicContact CE3-CG1 4.1Å; W199-Q205 VanDerWaalsContact CD2-NE2 3.25Å; W199-Q205 VanDerWaalsContact CE3-NE2 3.32Å; W199-Q205 VanDerWaalsContact CZ2-NE2 3.35Å; W199-Q205 PolarHBondContact O-NE2 3.29Å; W199-F208 HydrophobicContact CH2-CB 4.12Å; W199-F208 AromaticContact CH2-CD1 3.78Å; W199-F208 HydrophobicContact CH2-CD1 3.78Å; W199-F208 AromaticContact CH2-CD2 3.86Å; W199-F208 HydrophobicContact CH2-CD2 3.86Å; W199-F208 HydrophobicContact CH2-CE1 4.21Å; W199-F208 HydrophobicContact CH2-CE2 4.28Å; W199-F208 AromaticContact CH2-CG 3.61Å; W199-F208 HydrophobicContact CH2-CG 3.61Å; W199-F208 HydrophobicContact CH2-CZ 4.45Å; W199-F208 HydrophobicContact CZ3-CB 3.94Å; W199-F208 HydrophobicContact CZ3-CD1 4.46Å; W199-F208 HydrophobicContact CZ3-CD2 4.12Å; W199-F208 AromaticContact CZ3-CG 3.89Å; W199-F208 HydrophobicContact CZ3-CG 3.89Å; W199-A221 HydrophobicContact CZ2-CB 4.35Å; W199-L224 VanDerWaalsContact CD1-O 3.23Å; W199-L224 HydrophobicContact CD2-CB 3.66Å; W199-L224 HydrophobicContact CD2-CD1 4.01Å; W199-L224 HydrophobicContact CD2-CG 4.39Å; W199-L224 HydrophobicContact CE3-CB 4.28Å; W199-L224 HydrophobicContact CE3-CD1 3.72Å; W199-L224 HydrophobicContact CG-CB 3.86Å; W199-L224 HydrophobicContact CH2-CD1 4.23Å; W199-L224 HydrophobicContact CZ2-CB 4.05Å; W199-L224 HydrophobicContact CZ2-CD1 4.47Å; W199-L224 HydrophobicContact CZ3-CD1 3.86Å; W199-N225 PolarHBondContact NE1-OD1 2.71Å
200	K	98.4	Very high	97.7	Very high	160 Å²	160	44.8 Å²	44.8	70%	0.696	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.2	174.4	-73	-176.7	175.9	-163.7	0	114.6	K196 R197 L198	K196-K200 WeakPolarHBondContact O-CG 3.42Å; K196-K200 PolarHBondContact O-N 3.22Å; R197-K200 PolarHBondContact O-N 2.91Å; L198-K200 PolarHBondContact O-N 3.04Å
201	D	98.8	Very high	97.8	Very high	9 Å²	9	41 Å²	41	5%	0.048	21%	0.211	C	C	.	.			trans	-71.8	136.9	-179.6	-177.5	-98.3	0	0	0	111.9	G164 D165 R168 L198 W199 G203 V204 Q205	G164-D201 WeakPolarHBondContact CA-OD2 3.35Å; G164-D201 VanDerWaalsContact N-CG 3.32Å; G164-D201 PolarHBondContact N-OD1 3.35Å; G164-D201 PolarHBondContact N-OD2 3.36Å; D165-D201 PolarHBondContact N-OD2 2.98Å; R168-D201 HydrophobicContact CG-CB 4.04Å; L198-D201 VanDerWaalsContact O-CB 3.25Å; L198-D201 WeakPolarHBondContact O-CB 3.21Å; L198-D201 PolarHBondContact O-N 3.35Å; W199-D201 VanDerWaalsContact C-N 3.35Å; D201-G203 VanDerWaalsContact C-N 3.33Å; D201-G203 PolarHBondContact O-N 3.26Å; D201-G203 VanDerWaalsContact OD1-CA 3.26Å; D201-G203 WeakPolarHBondContact OD1-CA 3.32Å; D201-G203 PolarHBondContact OD1-N 2.8Å; D201-V204 HydrophobicContact CB-CB 4.06Å; D201-V204 HydrophobicContact CB-CG2 3.82Å; D201-V204 PolarHBondContact O-N 3.03Å; D201-V204 PolarHBondContact OD1-N 3.32Å; D201-V204 VanDerWaalsContact OD1-N 3.08Å; D201-Q205 WeakPolarHBondContact O-CG 3.39Å; D201-Q205 PolarHBondContact O-N 3.14Å
202	S	98.5	Very high	97.6	Very high	82 Å²	82	45.8 Å²	45.8	57%	0.573	23%	0.229	S	C	*	.	H	α-helix	trans	-69.4	-29.1	-177.5	55.2	0	0	0	0	113.2	G164 A206	G164-S202 WeakPolarHBondContact CA-OG 3.31Å; S202-A206 VanDerWaalsContact O-CB 3.3Å; S202-A206 WeakPolarHBondContact O-CB 3.38Å; S202-A206 PolarHBondContact O-N 3.09Å
203	G	98.5	Very high	97.5	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-42.2	172.3	0	0	0	0	0	112.1	I161 D162 D201 A206 C207	I161-G203 WeakPolarHBondContact CG2-O 3.35Å; D162-G203 WeakPolarHBondContact O-CA 3.34Å; D201-G203 VanDerWaalsContact C-N 3.33Å; D201-G203 PolarHBondContact O-N 3.26Å; D201-G203 VanDerWaalsContact OD1-CA 3.26Å; D201-G203 WeakPolarHBondContact OD1-CA 3.32Å; D201-G203 PolarHBondContact OD1-N 2.8Å; G203-A206 PolarHBondContact O-N 3.42Å; G203-C207 WeakPolarHBondContact O-CB 3.4Å; G203-C207 PolarHBondContact O-N 3.14Å
204	V	98.6	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-44.5	172.6	176.9	0	0	0	0	110.9	I149 I152 I153 M156 F163 L198 W199 D201 C207 F208	I149-V204 HydrophobicContact CD1-CG1 4.16Å; I152-V204 HydrophobicContact CG2-CG1 3.89Å; I153-V204 HydrophobicContact CD1-CG2 3.76Å; M156-V204 HydrophobicContact CE-CG2 4.19Å; M156-V204 HydrophobicContact SD-CB 4.24Å; M156-V204 HydrophobicContact SD-CG2 3.54Å; M156-V204 VanDerWaalsContact SD-CG2 3.54Å; F163-V204 HydrophobicContact CD1-CG2 4.11Å; F163-V204 HydrophobicContact CE1-CG2 4Å; L198-V204 VanDerWaalsContact O-CB 3.26Å; L198-V204 WeakPolarHBondContact O-CB 3.45Å; L198-V204 WeakPolarHBondContact O-CG1 3.31Å; L198-V204 VanDerWaalsContact O-CG2 3.27Å; L198-V204 WeakPolarHBondContact O-CG2 2.94Å; W199-V204 HydrophobicContact CE3-CG1 4.1Å; D201-V204 HydrophobicContact CB-CB 4.06Å; D201-V204 HydrophobicContact CB-CG2 3.82Å; D201-V204 PolarHBondContact O-N 3.03Å; D201-V204 PolarHBondContact OD1-N 3.32Å; D201-V204 VanDerWaalsContact OD1-N 3.08Å; V204-C207 WeakPolarHBondContact O-CB 3.44Å; V204-C207 PolarHBondContact O-N 3.19Å; V204-F208 PolarHBondContact O-N 2.85Å
205	Q	98.5	Very high	97.3	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-40.3	174.6	-72.2	-61.7	-35.7	0	0	112.7	W199 D201 C207 F208 N209	W199-Q205 VanDerWaalsContact CD2-NE2 3.25Å; W199-Q205 VanDerWaalsContact CE3-NE2 3.32Å; W199-Q205 VanDerWaalsContact CZ2-NE2 3.35Å; W199-Q205 PolarHBondContact O-NE2 3.29Å; D201-Q205 WeakPolarHBondContact O-CG 3.39Å; D201-Q205 PolarHBondContact O-N 3.14Å; Q205-C207 VanDerWaalsContact C-N 3.3Å; Q205-C207 PolarHBondContact O-N 2.85Å; Q205-F208 PolarHBondContact O-N 3.46Å; Q205-N209 PolarHBondContact O-N 3.25Å; Q205-N209 PolarHBondContact O-ND2 2.87Å
206	A	98.1	Very high	97.2	Very high	44 Å²	44	53.8 Å²	53.8	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-38	174.2	0	0	0	0	0	112	I161 S202 G203 N209 R210	I161-A206 HydrophobicContact CG2-CB 4.48Å; S202-A206 VanDerWaalsContact O-CB 3.3Å; S202-A206 WeakPolarHBondContact O-CB 3.38Å; S202-A206 PolarHBondContact O-N 3.09Å; G203-A206 PolarHBondContact O-N 3.42Å; A206-N209 PolarHBondContact O-N 3.18Å; A206-R210 PolarHBondContact O-N 2.96Å
207	C	98.4	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-40.5	173.8	-169.2	0	0	0	0	112.6	I152 M156 I161 G203 V204 Q205 N209 R210 S211 Y214	I152-C207 HydrophobicContact CG2-CB 4.05Å; M156-C207 HydrophobicContact CG-CB 3.48Å; M156-C207 VanDerWaalsContact CG-CB 3.48Å; M156-C207 VanDerWaalsContact CG-SG 3.55Å; M156-C207 PolarHBondContact N-SG 2.81Å; M156-C207 VanDerWaalsContact N-SG 3.45Å; M156-C207 HydrophobicContact SD-CB 4.44Å; I161-C207 HydrophobicContact CD1-CB 3.78Å; G203-C207 WeakPolarHBondContact O-CB 3.4Å; G203-C207 PolarHBondContact O-N 3.14Å; V204-C207 WeakPolarHBondContact O-CB 3.44Å; V204-C207 PolarHBondContact O-N 3.19Å; Q205-C207 VanDerWaalsContact C-N 3.3Å; Q205-C207 PolarHBondContact O-N 2.85Å; C207-N209 VanDerWaalsContact C-N 3.34Å; C207-N209 PolarHBondContact O-N 2.86Å; C207-R210 CarbonylContact O-C 3.57Å; C207-R210 WeakPolarHBondContact O-CA 3.4Å; C207-R210 PolarHBondContact O-N 3.13Å; C207-S211 PolarHBondContact O-N 2.98Å; C207-Y214 WeakPolarHBondContact O-CE1 3.3Å; C207-Y214 PolarHBondContact O-OH 3.19Å
208	F	97.8	Very high	96.7	Very high	41 Å²	41	49.3 Å²	49.3	18%	0.18	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-39.1	174.6	177.3	-102.5	0	0	0	112.4	I152 W199 V204 Q205 R210 S211 L216 A220 A221	I152-F208 HydrophobicContact CD1-CD2 3.96Å; W199-F208 HydrophobicContact CH2-CB 4.12Å; W199-F208 AromaticContact CH2-CD1 3.78Å; W199-F208 HydrophobicContact CH2-CD1 3.78Å; W199-F208 AromaticContact CH2-CD2 3.86Å; W199-F208 HydrophobicContact CH2-CD2 3.86Å; W199-F208 HydrophobicContact CH2-CE1 4.21Å; W199-F208 HydrophobicContact CH2-CE2 4.28Å; W199-F208 AromaticContact CH2-CG 3.61Å; W199-F208 HydrophobicContact CH2-CG 3.61Å; W199-F208 HydrophobicContact CH2-CZ 4.45Å; W199-F208 HydrophobicContact CZ3-CB 3.94Å; W199-F208 HydrophobicContact CZ3-CD1 4.46Å; W199-F208 HydrophobicContact CZ3-CD2 4.12Å; W199-F208 AromaticContact CZ3-CG 3.89Å; W199-F208 HydrophobicContact CZ3-CG 3.89Å; V204-F208 PolarHBondContact O-N 2.85Å; Q205-F208 PolarHBondContact O-N 3.46Å; F208-R210 PolarHBondContact O-N 2.82Å; F208-S211 WeakPolarHBondContact O-CB 3.08Å; F208-S211 PolarHBondContact O-N 3.02Å; F208-S211 PolarHBondContact O-OG 3.36Å; F208-L216 HydrophobicContact CD2-CD2 3.6Å; F208-L216 HydrophobicContact CE2-CD2 3.62Å; F208-A220 HydrophobicContact CE2-CB 4.25Å; F208-A221 HydrophobicContact CE1-CB 4.11Å; F208-A221 HydrophobicContact CE2-CB 4.35Å; F208-A221 HydrophobicContact CZ-CB 3.65Å
209	N	96.1	Very high	96.6	Very high	106 Å²	106	49.9 Å²	49.9	57%	0.567	25%	0.25	S	S	*	.	H	α-helix	trans	-64.4	-19.1	173.5	-76	-60.8	0	0	0	113.5	Q205 A206 C207	Q205-N209 PolarHBondContact O-N 3.25Å; Q205-N209 PolarHBondContact O-ND2 2.87Å; A206-N209 PolarHBondContact O-N 3.18Å; C207-N209 VanDerWaalsContact C-N 3.34Å; C207-N209 PolarHBondContact O-N 2.86Å
210	R	95.9	Very high	96.5	Very high	93 Å²	93	49 Å²	49	35%	0.351	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	18.1	172.6	-68.4	177	65	-169.9	-1.7	113.1	L159 A206 C207 F208 R212 E213	L159-R210 HydrophobicContact CD1-CB 4.21Å; A206-R210 PolarHBondContact O-N 2.96Å; C207-R210 CarbonylContact O-C 3.57Å; C207-R210 WeakPolarHBondContact O-CA 3.4Å; C207-R210 PolarHBondContact O-N 3.13Å; F208-R210 PolarHBondContact O-N 2.82Å; R210-R212 PolarHBondContact O-N 2.91Å; R210-E213 IonicContact CZ-OE1 2.67Å; R210-E213 IonicContact CZ-OE2 2.78Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 3.09Å; R210-E213 IonicContact NE-OE2 3.44Å; R210-E213 PolarHBondContact NE-OE2 2.99Å; R210-E213 IonicContact NH2-OE1 3.46Å; R210-E213 PolarHBondContact NH2-OE1 3.01Å; R210-E213 IonicContact NH2-OE2 2.8Å; R210-E213 PolarHBondContact NH2-OE2 3.38Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å
211	S	95.3	Very high	96.5	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-57	-16.1	-177.4	48.3	0	0	0	0	116	C207 F208 E213 Y214	C207-S211 PolarHBondContact O-N 2.98Å; F208-S211 WeakPolarHBondContact O-CB 3.08Å; F208-S211 PolarHBondContact O-N 3.02Å; F208-S211 PolarHBondContact O-OG 3.36Å; S211-E213 PolarHBondContact O-N 3.26Å; S211-Y214 PolarHBondContact O-N 2.8Å
212	R	93.3	Very high	96.4	Very high	102 Å²	102	44.5 Å²	44.5	39%	0.385	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.6	-21.9	170.4	71.5	177.1	-173.1	173.6	4.6	114.2	R210 Y214 D299 L300 S349	R210-R212 PolarHBondContact O-N 2.91Å; R212-Y214 VanDerWaalsContact C-N 3.27Å; R212-Y214 PolarHBondContact O-N 2.73Å; R212-D299 WeakPolarHBondContact CD-OD2 3.49Å; R212-D299 IonicContact NH1-OD2 3.85Å; R212-L300 HydrophobicContact CB-CD2 3.72Å; R212-S349 PolarHBondContact NH1-OG 3.01Å
213	E	94.7	Very high	96.4	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.411	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-84.7	0.8	-176.3	-60.3	175.8	-135.7	0	0	113	L159 R210 S211	L159-E213 HydrophobicContact CD1-CB 4.34Å; L159-E213 HydrophobicContact CD2-CB 4.22Å; L159-E213 WeakPolarHBondContact CD2-OE2 3.42Å; R210-E213 IonicContact CZ-OE1 2.67Å; R210-E213 IonicContact CZ-OE2 2.78Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 3.09Å; R210-E213 IonicContact NE-OE2 3.44Å; R210-E213 PolarHBondContact NE-OE2 2.99Å; R210-E213 IonicContact NH2-OE1 3.46Å; R210-E213 PolarHBondContact NH2-OE1 3.01Å; R210-E213 IonicContact NH2-OE2 2.8Å; R210-E213 PolarHBondContact NH2-OE2 3.38Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å; S211-E213 PolarHBondContact O-N 3.26Å
214	Y	95.8	Very high	96.4	Very high	27 Å²	27	40.5 Å²	40.5	11%	0.106	20%	0.201	C	C	.	.	S	Bend	trans	-152.7	174.5	177.5	56.6	-85.8	0	0	0	111.3	I152 A155 L159 C207 S211 R212 L216	I152-Y214 HydrophobicContact CG1-CE2 4.38Å; A155-Y214 HydrophobicContact CB-CD1 3.41Å; A155-Y214 VanDerWaalsContact CB-CD1 3.41Å; A155-Y214 HydrophobicContact CB-CD2 3.69Å; A155-Y214 HydrophobicContact CB-CE1 3.42Å; A155-Y214 VanDerWaalsContact CB-CE1 3.42Å; A155-Y214 HydrophobicContact CB-CE2 3.7Å; A155-Y214 HydrophobicContact CB-CG 3.54Å; L159-Y214 HydrophobicContact CD1-CD1 4.13Å; L159-Y214 HydrophobicContact CD1-CE1 4.15Å; C207-Y214 WeakPolarHBondContact O-CE1 3.3Å; C207-Y214 PolarHBondContact O-OH 3.19Å; S211-Y214 PolarHBondContact O-N 2.8Å; R212-Y214 VanDerWaalsContact C-N 3.27Å; R212-Y214 PolarHBondContact O-N 2.73Å; Y214-L216 HydrophobicContact CD2-CB 4.25Å; Y214-L216 HydrophobicContact CE2-CB 4Å; Y214-L216 HydrophobicContact CE2-CD1 4.39Å; Y214-L216 HydrophobicContact CE2-CD2 4.11Å; Y214-L216 HydrophobicContact CE2-CG 4.39Å; Y214-L216 PolarHBondContact O-N 3.12Å
215	Q	95.3	Very high	96.4	Very high	62 Å²	62	45.7 Å²	45.7	29%	0.29	23%	0.229	S	C	.	.			trans	-88.1	109.5	-180	-58.1	-63.1	-34.6	0	0	109.9	V301 A303	Q215-V301 PolarHBondContact NE2-O 3.04Å; Q215-A303 HydrophobicContact CG-CB 3.99Å
216	L	96	Very high	96.3	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	23%	0.231	C	C	.	.			trans	-123.1	164.2	175.7	-168.7	57.2	0	0	0	110.8	A151 I152 F208 Y214 A220 R246	A151-L216 HydrophobicContact CB-CD1 3.91Å; I152-L216 HydrophobicContact CD1-CD1 4.37Å; I152-L216 HydrophobicContact CD1-CD2 4.27Å; I152-L216 HydrophobicContact CG1-CD1 3.97Å; I152-L216 HydrophobicContact CG1-CD2 4Å; F208-L216 HydrophobicContact CD2-CD2 3.6Å; F208-L216 HydrophobicContact CE2-CD2 3.62Å; Y214-L216 HydrophobicContact CD2-CB 4.25Å; Y214-L216 HydrophobicContact CE2-CB 4Å; Y214-L216 HydrophobicContact CE2-CD1 4.39Å; Y214-L216 HydrophobicContact CE2-CD2 4.11Å; Y214-L216 HydrophobicContact CE2-CG 4.39Å; Y214-L216 PolarHBondContact O-N 3.12Å; L216-A220 HydrophobicContact CD1-CB 4.08Å; L216-A220 HydrophobicContact CD2-CB 4.14Å; L216-A220 HydrophobicContact CG-CB 4.02Å; L216-R246 PolarHBondContact O-NH1 3.13Å
217	N	92.8	Very high	96.3	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.107	22%	0.215	C	C	.	.			trans	-92.2	134.3	172.8	-172.8	22.4	0	0	0	110.3	S219 A220 R246	N217-S219 PolarHBondContact O-N 3.35Å; N217-A220 WeakPolarHBondContact O-CB 3.39Å; N217-A220 PolarHBondContact O-N 2.89Å; N217-R246 VanDerWaalsContact OD1-CD 3.22Å; N217-R246 WeakPolarHBondContact OD1-CD 3.38Å
218	D	93.1	Very high	96.2	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35	180	-60	-31	0	0	0	112.4	A220 K338 L341	D218-A220 PolarHBondContact O-N 3.16Å; D218-K338 WeakPolarHBondContact OD2-CE 3.44Å; D218-K338 IonicContact OD2-NZ 2.65Å; D218-K338 PolarHBondContact OD2-NZ 3.25Å; D218-L341 HydrophobicContact CB-CD1 3.75Å
219	S	95.8	Very high	96.2	Very high	11 Å²	11	49.4 Å²	49.4	8%	0.077	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1.4	177.2	-53.2	0	0	0	0	114.8	N217 A221 Y222 Y223 R244	N217-S219 PolarHBondContact O-N 3.35Å; S219-A221 PolarHBondContact O-N 3.34Å; S219-Y222 WeakPolarHBondContact O-CB 3.29Å; S219-Y222 PolarHBondContact O-N 2.78Å; S219-Y223 VanDerWaalsContact O-CD2 3.31Å; S219-Y223 WeakPolarHBondContact O-CD2 3.3Å; S219-Y223 PolarHBondContact O-N 3.02Å; S219-Y223 VanDerWaalsContact O-N 3.16Å; S219-R244 WeakPolarHBondContact CB-O 3.45Å; S219-R244 WeakPolarHBondContact OG-CB 3.38Å; S219-R244 PolarHBondContact OG-O 2.9Å
220	A	97.4	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-53	-175.5	0	0	0	0	0	112.6	F208 L216 N217 D218 Y222 Y223 L224	F208-A220 HydrophobicContact CE2-CB 4.25Å; L216-A220 HydrophobicContact CD1-CB 4.08Å; L216-A220 HydrophobicContact CD2-CB 4.14Å; L216-A220 HydrophobicContact CG-CB 4.02Å; N217-A220 WeakPolarHBondContact O-CB 3.39Å; N217-A220 PolarHBondContact O-N 2.89Å; D218-A220 PolarHBondContact O-N 3.16Å; A220-Y222 VanDerWaalsContact C-N 3.32Å; A220-Y222 PolarHBondContact O-N 3.46Å; A220-Y223 PolarHBondContact O-N 2.65Å; A220-L224 WeakPolarHBondContact O-CB 3.37Å; A220-L224 VanDerWaalsContact O-CG 3.22Å; A220-L224 WeakPolarHBondContact O-CG 3.45Å; A220-L224 PolarHBondContact O-N 3.5Å
221	A	97.2	Very high	96.2	Very high	24 Å²	24	41.1 Å²	41.1	20%	0.198	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-37.9	179.4	0	0	0	0	0	112.5	W199 F208 S219 Y223 L224 N225	W199-A221 HydrophobicContact CZ2-CB 4.35Å; F208-A221 HydrophobicContact CE1-CB 4.11Å; F208-A221 HydrophobicContact CE2-CB 4.35Å; F208-A221 HydrophobicContact CZ-CB 3.65Å; S219-A221 PolarHBondContact O-N 3.34Å; A221-Y223 PolarHBondContact O-N 2.75Å; A221-L224 PolarHBondContact O-N 3.37Å; A221-N225 WeakPolarHBondContact O-CB 3.35Å; A221-N225 PolarHBondContact O-N 2.8Å; A221-N225 PolarHBondContact O-ND2 3.49Å
222	Y	97.9	Very high	96.1	Very high	51 Å²	51	43.7 Å²	43.7	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-52.6	177.4	172.5	-96.1	0	0	0	111.2	S219 A220 D226 Q240 D241 R244	S219-Y222 WeakPolarHBondContact O-CB 3.29Å; S219-Y222 PolarHBondContact O-N 2.78Å; A220-Y222 VanDerWaalsContact C-N 3.32Å; A220-Y222 PolarHBondContact O-N 3.46Å; Y222-D226 PolarHBondContact O-N 3.3Å; Y222-Q240 HydrophobicContact CE2-CG 4.2Å; Y222-D241 VanDerWaalsContact CE1-OD1 3.31Å; Y222-D241 WeakPolarHBondContact CE1-OD1 3.43Å; Y222-D241 PolarHBondContact OH-OD1 3.2Å; Y222-D241 VanDerWaalsContact OH-OD1 3.12Å; Y222-R244 HydrophobicContact CD1-CB 4.29Å; Y222-R244 HydrophobicContact CD1-CG 4.43Å; Y222-R244 HydrophobicContact CE1-CB 4.36Å; Y222-R244 VanDerWaalsContact CE1-CD 3.49Å
223	Y	98.2	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.5	-36.1	-179.7	-63.6	-55	0	0	0	113.6	V141 N144 T145 S219 A220 A221 D226 L227 I230 D241 R244 T245	V141-Y223 HydrophobicContact CB-CE1 4.42Å; V141-Y223 HydrophobicContact CG1-CD1 3.82Å; V141-Y223 HydrophobicContact CG1-CE1 3.66Å; V141-Y223 HydrophobicContact CG2-CE1 4.13Å; N144-Y223 HydrophobicContact CB-CD2 4.37Å; N144-Y223 HydrophobicContact CB-CE2 4.07Å; T145-Y223 WeakPolarHBondContact OG1-CB 3.25Å; S219-Y223 VanDerWaalsContact O-CD2 3.31Å; S219-Y223 WeakPolarHBondContact O-CD2 3.3Å; S219-Y223 PolarHBondContact O-N 3.02Å; S219-Y223 VanDerWaalsContact O-N 3.16Å; A220-Y223 PolarHBondContact O-N 2.65Å; A221-Y223 PolarHBondContact O-N 2.75Å; Y223-D226 PolarHBondContact O-N 3.48Å; Y223-L227 PolarHBondContact O-N 3.35Å; Y223-L227 VanDerWaalsContact O-N 3.17Å; Y223-I230 HydrophobicContact CD1-CD1 3.76Å; Y223-I230 HydrophobicContact CG-CD1 4.36Å; Y223-I230 WeakPolarHBondContact O-CD1 3.48Å; Y223-D241 HydrophobicContact CE1-CB 4.34Å; Y223-D241 PolarHBondContact OH-O 2.97Å; Y223-R244 PolarHBondContact OH-O 3.42Å; Y223-T245 WeakPolarHBondContact OH-CA 3.38Å; Y223-T245 WeakPolarHBondContact OH-CG2 3.41Å; Y223-T245 PolarHBondContact OH-N 3.01Å
224	L	98.3	Very high	96	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-29.7	-178	-66.3	169.9	0	0	0	112.7	T145 I149 I152 I195 W199 A220 A221	T145-L224 HydrophobicContact CG2-CD2 3.97Å; I149-L224 HydrophobicContact CB-CD2 4.03Å; I152-L224 HydrophobicContact CD1-CD1 3.98Å; I195-L224 HydrophobicContact CG2-CD2 3.61Å; W199-L224 VanDerWaalsContact CD1-O 3.23Å; W199-L224 HydrophobicContact CD2-CB 3.66Å; W199-L224 HydrophobicContact CD2-CD1 4.01Å; W199-L224 HydrophobicContact CD2-CG 4.39Å; W199-L224 HydrophobicContact CE3-CB 4.28Å; W199-L224 HydrophobicContact CE3-CD1 3.72Å; W199-L224 HydrophobicContact CG-CB 3.86Å; W199-L224 HydrophobicContact CH2-CD1 4.23Å; W199-L224 HydrophobicContact CZ2-CB 4.05Å; W199-L224 HydrophobicContact CZ2-CD1 4.47Å; W199-L224 HydrophobicContact CZ3-CD1 3.86Å; A220-L224 WeakPolarHBondContact O-CB 3.37Å; A220-L224 VanDerWaalsContact O-CG 3.22Å; A220-L224 WeakPolarHBondContact O-CG 3.45Å; A220-L224 PolarHBondContact O-N 3.5Å; A221-L224 PolarHBondContact O-N 3.37Å
225	N	98.1	Very high	96	Very high	110 Å²	110	45.5 Å²	45.5	59%	0.588	24%	0.244	S	C	*	.	H	α-helix	trans	-71	-39.2	171.8	-68.6	-14.7	0	0	0	112	W199 A221 L227	W199-N225 PolarHBondContact NE1-OD1 2.71Å; A221-N225 WeakPolarHBondContact O-CB 3.35Å; A221-N225 PolarHBondContact O-N 2.8Å; A221-N225 PolarHBondContact O-ND2 3.49Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 2.88Å
226	D	97.4	Very high	96	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	12.9	-179.4	-99.6	20.8	0	0	0	114.3	Y222 Y223 D228 R229 I230	Y222-D226 PolarHBondContact O-N 3.3Å; Y223-D226 PolarHBondContact O-N 3.48Å; D226-D228 PolarHBondContact O-N 3.03Å; D226-R229 WeakPolarHBondContact O-CB 3.44Å; D226-R229 PolarHBondContact O-N 3.27Å; D226-R229 IonicContact OD2-CZ 3.88Å; D226-R229 IonicContact OD2-NE 2.92Å; D226-R229 PolarHBondContact OD2-NE 2.87Å; D226-R229 IonicContact OD2-NH2 3.99Å; D226-R229 PolarHBondContact OD2-NH2 3.48Å; D226-I230 HydrophobicContact CB-CD1 4Å; D226-I230 PolarHBondContact O-N 3.39Å; D226-I230 VanDerWaalsContact O-N 3.14Å
227	L	97.6	Very high	96	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-54	-34.2	-172.7	-177.2	63.9	0	0	0	113.6	T145 M187 I195 K196 Y223 N225 R229 I230 A231	T145-L227 HydrophobicContact CG2-CD1 4.08Å; M187-L227 HydrophobicContact SD-CD1 3.86Å; I195-L227 HydrophobicContact CB-CD2 3.82Å; I195-L227 HydrophobicContact CG2-CD1 4.48Å; I195-L227 HydrophobicContact CG2-CD2 3.58Å; K196-L227 HydrophobicContact CB-CD2 3.87Å; Y223-L227 PolarHBondContact O-N 3.35Å; Y223-L227 VanDerWaalsContact O-N 3.17Å; N225-L227 VanDerWaalsContact C-N 3.31Å; N225-L227 PolarHBondContact O-N 2.88Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.92Å; L227-I230 PolarHBondContact O-N 3.27Å; L227-A231 VanDerWaalsContact O-CB 3.24Å; L227-A231 WeakPolarHBondContact O-CB 3.08Å; L227-A231 PolarHBondContact O-N 3.46Å
228	D	96.5	Very high	96.2	Very high	95 Å²	95	46.7 Å²	46.7	51%	0.508	25%	0.254	S	S	.	.	H	α-helix	trans	-66.6	-26.1	177.6	-76.4	-25.6	0	0	0	114.1	K196 D226 Q232	K196-D228 WeakPolarHBondContact CD-OD1 3.41Å; K196-D228 VanDerWaalsContact CE-OD1 3.26Å; K196-D228 WeakPolarHBondContact CE-OD1 3.48Å; K196-D228 VanDerWaalsContact CE-OD2 3.29Å; K196-D228 WeakPolarHBondContact CE-OD2 3.3Å; K196-D228 IonicContact NZ-OD1 2.73Å; K196-D228 PolarHBondContact NZ-OD1 3.39Å; K196-D228 IonicContact NZ-OD2 3.56Å; K196-D228 PolarHBondContact NZ-OD2 3.32Å; D226-D228 PolarHBondContact O-N 3.03Å; D228-Q232 VanDerWaalsContact O-CG 3.26Å; D228-Q232 WeakPolarHBondContact O-CG 3.46Å; D228-Q232 PolarHBondContact O-NE2 3.03Å
229	R	97.1	Very high	96.3	Very high	62 Å²	62	47.5 Å²	47.5	23%	0.234	26%	0.256	C	S	.	.	H	α-helix	trans	-81.6	-42.8	172.3	177.6	179.3	64.8	84.2	0.6	110.5	D226 L227 Q232 D241	D226-R229 WeakPolarHBondContact O-CB 3.44Å; D226-R229 PolarHBondContact O-N 3.27Å; D226-R229 IonicContact OD2-CZ 3.88Å; D226-R229 IonicContact OD2-NE 2.92Å; D226-R229 PolarHBondContact OD2-NE 2.87Å; D226-R229 IonicContact OD2-NH2 3.99Å; D226-R229 PolarHBondContact OD2-NH2 3.48Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.92Å; R229-Q232 WeakPolarHBondContact O-CG 3.46Å; R229-Q232 PolarHBondContact O-N 3.37Å; R229-D241 IonicContact CZ-OD1 3.51Å; R229-D241 IonicContact CZ-OD2 3.01Å; R229-D241 IonicContact NH1-OD1 3.29Å; R229-D241 PolarHBondContact NH1-OD1 2.62Å; R229-D241 IonicContact NH1-OD2 2.63Å; R229-D241 PolarHBondContact NH1-OD2 2.91Å; R229-D241 IonicContact NH2-OD1 2.83Å; R229-D241 PolarHBondContact NH2-OD1 2.69Å; R229-D241 IonicContact NH2-OD2 3.23Å; R229-D241 PolarHBondContact NH2-OD2 3.41Å
230	I	96.6	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-37.8	-175.3	-67.3	166	0	0	0	111.3	V141 Y142 M187 Y223 D226 L227 Q232 Y235	V141-I230 HydrophobicContact CG1-CD1 4.48Å; V141-I230 HydrophobicContact CG1-CG2 4.06Å; Y142-I230 HydrophobicContact CD1-CG2 3.7Å; Y142-I230 HydrophobicContact CE1-CG2 3.48Å; Y142-I230 VanDerWaalsContact CE1-CG2 3.48Å; Y142-I230 WeakPolarHBondContact CE1-O 3.22Å; Y142-I230 PolarHBondContact OH-O 3.31Å; M187-I230 HydrophobicContact SD-CG2 4.45Å; Y223-I230 HydrophobicContact CD1-CD1 3.76Å; Y223-I230 HydrophobicContact CG-CD1 4.36Å; Y223-I230 WeakPolarHBondContact O-CD1 3.48Å; D226-I230 HydrophobicContact CB-CD1 4Å; D226-I230 PolarHBondContact O-N 3.39Å; D226-I230 VanDerWaalsContact O-N 3.14Å; L227-I230 PolarHBondContact O-N 3.27Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 2.61Å; I230-Y235 HydrophobicContact CB-CE1 4.43Å; I230-Y235 HydrophobicContact CG1-CE1 4.48Å; I230-Y235 HydrophobicContact CG1-CE2 4.41Å; I230-Y235 HydrophobicContact CG2-CD1 4.48Å; I230-Y235 HydrophobicContact CG2-CE1 4.11Å; I230-Y235 WeakPolarHBondContact O-CB 3.39Å; I230-Y235 WeakPolarHBondContact O-CD1 3.38Å
231	A	95.3	Very high	96.4	Very high	24 Å²	24	50 Å²	50	20%	0.198	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.7	-179.4	0	0	0	0	0	114.9	M187 A192 L227	M187-A231 HydrophobicContact CG-CB 4.42Å; M187-A231 HydrophobicContact SD-CB 4.13Å; A192-A231 HydrophobicContact CB-CB 3.46Å; A192-A231 VanDerWaalsContact CB-CB 3.46Å; L227-A231 VanDerWaalsContact O-CB 3.24Å; L227-A231 WeakPolarHBondContact O-CB 3.08Å; L227-A231 PolarHBondContact O-N 3.46Å
232	Q	95	Very high	96.4	Very high	91 Å²	91	48.8 Å²	48.8	43%	0.425	26%	0.257	S	S	.	.			trans	-70.2	140.3	178.5	-61.2	-174.7	1.4	0	0	110.9	D228 R229 I230 N234 Y235	D228-Q232 VanDerWaalsContact O-CG 3.26Å; D228-Q232 WeakPolarHBondContact O-CG 3.46Å; D228-Q232 PolarHBondContact O-NE2 3.03Å; R229-Q232 WeakPolarHBondContact O-CG 3.46Å; R229-Q232 PolarHBondContact O-N 3.37Å; I230-Q232 VanDerWaalsContact C-N 3.27Å; I230-Q232 PolarHBondContact O-N 2.61Å; Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 2.88Å; Q232-Y235 WeakPolarHBondContact O-CB 3.26Å; Q232-Y235 PolarHBondContact O-N 2.95Å
233	P	91.2	Very high	96.3	Very high	122 Å²	122	46.5 Å²	46.5	79%	0.792	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-44.1	-179.5	-26.2	34.8	0	0	0	112.8	K138 Y235	K138-P233 PolarHBondContact NZ-O 3.12Å; K138-P233 VanDerWaalsContact NZ-O 3.09Å; P233-Y235 VanDerWaalsContact C-N 3.26Å; P233-Y235 PolarHBondContact O-N 3.15Å
234	N	93.3	Very high	96.2	Very high	122 Å²	122	49 Å²	49	65%	0.652	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	12.5	176.4	65.4	-43.6	0	0	0	113.9	Q232 I236	Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 2.88Å; N234-I236 PolarHBondContact O-N 3.27Å
235	Y	95.4	Very high	96.1	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.039	26%	0.259	C	S	.	.			trans	-57.2	126.9	176	170.6	-121.5	0	0	0	111.2	K138 V141 Y142 I230 Q232 P233 P237 D241	K138-Y235 HydrophobicContact CD-CD1 4.45Å; K138-Y235 WeakPolarHBondContact CD-O 2.98Å; K138-Y235 WeakPolarHBondContact CE-O 3.31Å; K138-Y235 HydrophobicContact CG-CD1 4.21Å; K138-Y235 HydrophobicContact CG-CE1 4.44Å; K138-Y235 PolarHBondContact NZ-O 3.09Å; V141-Y235 HydrophobicContact CG1-CE1 4.23Å; Y142-Y235 AromaticContact CE1-CD1 3.6Å; Y142-Y235 HydrophobicContact CE1-CD1 3.6Å; Y142-Y235 AromaticContact CE1-CE1 3.8Å; Y142-Y235 HydrophobicContact CE1-CE1 3.8Å; Y142-Y235 AromaticContact CZ-CD1 3.9Å; I230-Y235 HydrophobicContact CB-CE1 4.43Å; I230-Y235 HydrophobicContact CG1-CE1 4.48Å; I230-Y235 HydrophobicContact CG1-CE2 4.41Å; I230-Y235 HydrophobicContact CG2-CD1 4.48Å; I230-Y235 HydrophobicContact CG2-CE1 4.11Å; I230-Y235 WeakPolarHBondContact O-CB 3.39Å; I230-Y235 WeakPolarHBondContact O-CD1 3.38Å; Q232-Y235 WeakPolarHBondContact O-CB 3.26Å; Q232-Y235 PolarHBondContact O-N 2.95Å; P233-Y235 VanDerWaalsContact C-N 3.26Å; P233-Y235 PolarHBondContact O-N 3.15Å; Y235-P237 HydrophobicContact CE1-CG 3.91Å; Y235-P237 WeakPolarHBondContact OH-CA 3.42Å; Y235-D241 VanDerWaalsContact OH-CG 3.29Å; Y235-D241 PolarHBondContact OH-OD2 3.32Å
236	I	95.4	Very high	95.9	Very high	61 Å²	61	47.7 Å²	47.7	31%	0.313	25%	0.245	S	C	.	.			trans	-120.7	127.2	168.1	-63.1	166.5	0	0	0	106.5	E131 C134 K135 N234	E131-I236 HydrophobicContact CG-CD1 3.93Å; E131-I236 HydrophobicContact CG-CG2 3.99Å; E131-I236 WeakPolarHBondContact OE1-CD1 3.48Å; C134-I236 HydrophobicContact CB-CG2 4.04Å; K135-I236 HydrophobicContact CG-CG1 4.32Å; K135-I236 HydrophobicContact CG-CG2 4.27Å; N234-I236 PolarHBondContact O-N 3.27Å
237	P	97.4	Very high	95.6	Very high	4 Å²	4	49 Å²	49	3%	0.026	26%	0.255	C	S	.	.			trans	-55.9	138.6	175.5	-28	36.6	0	0	0	113	C134 K138 V141 Y235 D241 V242	C134-P237 VanDerWaalsContact CB-O 3.23Å; C134-P237 WeakPolarHBondContact CB-O 3.36Å; C134-P237 WeakPolarHBondContact O-CD 3.48Å; C134-P237 VanDerWaalsContact O-CG 3.24Å; C134-P237 WeakPolarHBondContact O-CG 3.25Å; C134-P237 PolarHBondContact SG-O 2.63Å; K138-P237 HydrophobicContact CB-CG 4.03Å; V141-P237 HydrophobicContact CG2-CB 4.44Å; V141-P237 HydrophobicContact CG2-CG 4.34Å; Y235-P237 HydrophobicContact CE1-CG 3.91Å; Y235-P237 WeakPolarHBondContact OH-CA 3.42Å; P237-D241 HydrophobicContact CB-CB 4Å; P237-V242 HydrophobicContact CB-CG2 4.41Å
238	T	96.9	Very high	95.3	Very high	63 Å²	63	55.3 Å²	55.3	39%	0.387	28%	0.282	S	S	.	.			trans	-81	165.3	169.1	68.4	0	0	0	0	110.3	Q240 D241 V242	T238-Q240 PolarHBondContact O-N 3.04Å; T238-Q240 PolarHBondContact OG1-N 3.13Å; T238-D241 WeakPolarHBondContact CB-OD2 3.35Å; T238-D241 PolarHBondContact N-OD2 3.18Å; T238-D241 WeakPolarHBondContact O-CB 3.45Å; T238-D241 PolarHBondContact O-N 3.28Å; T238-D241 PolarHBondContact OG1-N 3.07Å; T238-D241 PolarHBondContact OG1-OD2 3.06Å; T238-V242 WeakPolarHBondContact O-CG2 3.38Å; T238-V242 PolarHBondContact O-N 2.89Å
239	Q	95.4	Very high	94.9	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-30.8	172.2	-57.5	-169.2	39.8	0	0	112.2	I123 V242 L243	I123-Q239 HydrophobicContact CD1-CB 4.19Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-L243 WeakPolarHBondContact O-CB 3.39Å; Q239-L243 WeakPolarHBondContact O-CG 3.46Å; Q239-L243 PolarHBondContact O-N 2.94Å
240	Q	96.3	Very high	94.6	Very high	63 Å²	63	54.4 Å²	54.4	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-38.3	174.8	-166.1	67	53.2	0	0	112.4	Y222 T238 R244 T395	Y222-Q240 HydrophobicContact CE2-CG 4.2Å; T238-Q240 PolarHBondContact O-N 3.04Å; T238-Q240 PolarHBondContact OG1-N 3.13Å; Q240-R244 WeakPolarHBondContact O-CB 3.45Å; Q240-R244 WeakPolarHBondContact O-CG 3.3Å; Q240-R244 PolarHBondContact O-N 2.9Å; Q240-R244 VanDerWaalsContact O-N 3.13Å; Q240-T395 PolarHBondContact NE2-O 3.34Å; Q240-T395 VanDerWaalsContact NE2-O 3.09Å
241	D	97.6	Very high	94.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-46.1	172.4	-60.2	-65.4	0	0	0	110	V141 Y222 Y223 R229 Y235 P237 T238 L243 R244 T245	V141-D241 HydrophobicContact CG2-CB 4.13Å; Y222-D241 VanDerWaalsContact CE1-OD1 3.31Å; Y222-D241 WeakPolarHBondContact CE1-OD1 3.43Å; Y222-D241 PolarHBondContact OH-OD1 3.2Å; Y222-D241 VanDerWaalsContact OH-OD1 3.12Å; Y223-D241 HydrophobicContact CE1-CB 4.34Å; Y223-D241 PolarHBondContact OH-O 2.97Å; R229-D241 IonicContact CZ-OD1 3.51Å; R229-D241 IonicContact CZ-OD2 3.01Å; R229-D241 IonicContact NH1-OD1 3.29Å; R229-D241 PolarHBondContact NH1-OD1 2.62Å; R229-D241 IonicContact NH1-OD2 2.63Å; R229-D241 PolarHBondContact NH1-OD2 2.91Å; R229-D241 IonicContact NH2-OD1 2.83Å; R229-D241 PolarHBondContact NH2-OD1 2.69Å; R229-D241 IonicContact NH2-OD2 3.23Å; R229-D241 PolarHBondContact NH2-OD2 3.41Å; Y235-D241 VanDerWaalsContact OH-CG 3.29Å; Y235-D241 PolarHBondContact OH-OD2 3.32Å; P237-D241 HydrophobicContact CB-CB 4Å; T238-D241 WeakPolarHBondContact CB-OD2 3.35Å; T238-D241 PolarHBondContact N-OD2 3.18Å; T238-D241 WeakPolarHBondContact O-CB 3.45Å; T238-D241 PolarHBondContact O-N 3.28Å; T238-D241 PolarHBondContact OG1-N 3.07Å; T238-D241 PolarHBondContact OG1-OD2 3.06Å; D241-L243 PolarHBondContact O-N 3.11Å; D241-R244 CarbonylContact O-C 3.39Å; D241-R244 PolarHBondContact O-N 3.33Å; D241-R244 VanDerWaalsContact O-N 3.16Å; D241-T245 WeakPolarHBondContact O-CG2 3.47Å; D241-T245 PolarHBondContact O-N 3.18Å
242	V	96.8	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-47.2	177.2	175.8	0	0	0	0	111.2	K119 Y129 Y137 P237 T238 Q239 R244 T245	K119-V242 PolarHBondContact NZ-O 3.02Å; Y129-V242 HydrophobicContact CD1-CG1 4.26Å; Y129-V242 HydrophobicContact CD2-CB 4.48Å; Y129-V242 HydrophobicContact CD2-CG1 3.95Å; Y129-V242 HydrophobicContact CE1-CG1 4.11Å; Y129-V242 HydrophobicContact CE2-CG1 3.8Å; Y129-V242 HydrophobicContact CG-CG1 4.19Å; Y137-V242 HydrophobicContact CD1-CG1 4.17Å; Y137-V242 HydrophobicContact CD2-CB 4.35Å; Y137-V242 HydrophobicContact CD2-CG1 3.79Å; Y137-V242 HydrophobicContact CD2-CG2 3.67Å; Y137-V242 HydrophobicContact CE1-CG1 4.04Å; Y137-V242 HydrophobicContact CE2-CG1 3.66Å; Y137-V242 HydrophobicContact CE2-CG2 4.34Å; Y137-V242 HydrophobicContact CG-CB 4.42Å; Y137-V242 HydrophobicContact CG-CG1 4.06Å; Y137-V242 HydrophobicContact CG-CG2 3.85Å; P237-V242 HydrophobicContact CB-CG2 4.41Å; T238-V242 WeakPolarHBondContact O-CG2 3.38Å; T238-V242 PolarHBondContact O-N 2.89Å; Q239-V242 PolarHBondContact O-N 3.33Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.88Å; V242-T245 PolarHBondContact O-N 3.18Å; V242-T245 PolarHBondContact O-OG1 3.25Å
243	L	96.1	Very high	94	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-41	175.3	-78.3	170.4	0	0	0	112.7	T116 K119 Q120 I123 Q239 D241	T116-L243 HydrophobicContact CG2-CD2 4.05Å; K119-L243 HydrophobicContact CB-CD2 3.75Å; Q120-L243 HydrophobicContact CG-CD2 3.67Å; I123-L243 HydrophobicContact CD1-CD1 3.75Å; I123-L243 HydrophobicContact CD1-CD2 3.87Å; I123-L243 HydrophobicContact CD1-CG 3.75Å; Q239-L243 WeakPolarHBondContact O-CB 3.39Å; Q239-L243 WeakPolarHBondContact O-CG 3.46Å; Q239-L243 PolarHBondContact O-N 2.94Å; D241-L243 PolarHBondContact O-N 3.11Å
244	R	96.6	Very high	94.1	Very high	53 Å²	53	54.3 Å²	54.3	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-82	-7.8	-177.9	-72.5	179.3	-179.2	-80.5	-2.7	114.3	S219 Y222 Y223 Q240 D241 V242 R246 T395	S219-R244 WeakPolarHBondContact CB-O 3.45Å; S219-R244 WeakPolarHBondContact OG-CB 3.38Å; S219-R244 PolarHBondContact OG-O 2.9Å; Y222-R244 HydrophobicContact CD1-CB 4.29Å; Y222-R244 HydrophobicContact CD1-CG 4.43Å; Y222-R244 HydrophobicContact CE1-CB 4.36Å; Y222-R244 VanDerWaalsContact CE1-CD 3.49Å; Y223-R244 PolarHBondContact OH-O 3.42Å; Q240-R244 WeakPolarHBondContact O-CB 3.45Å; Q240-R244 WeakPolarHBondContact O-CG 3.3Å; Q240-R244 PolarHBondContact O-N 2.9Å; Q240-R244 VanDerWaalsContact O-N 3.13Å; D241-R244 CarbonylContact O-C 3.39Å; D241-R244 PolarHBondContact O-N 3.33Å; D241-R244 VanDerWaalsContact O-N 3.16Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.88Å; R244-R246 PolarHBondContact O-N 3.24Å; R244-T395 HydrophobicContact CG-CG2 4.06Å; R244-T395 PolarHBondContact NH2-OG1 3.03Å
245	T	96.3	Very high	94	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.049	26%	0.259	C	S	.	.			trans	-68.8	131.6	175.9	56.2	0	0	0	0	111.6	K119 Y137 V140 V141 Y223 D241 V242	K119-T245 PolarHBondContact NZ-O 3.16Å; K119-T245 PolarHBondContact NZ-OG1 3.48Å; Y137-T245 HydrophobicContact CD1-CG2 4.24Å; V140-T245 HydrophobicContact CB-CG2 4.12Å; V140-T245 HydrophobicContact CG1-CG2 3.87Å; V141-T245 HydrophobicContact CG2-CG2 3.53Å; Y223-T245 WeakPolarHBondContact OH-CA 3.38Å; Y223-T245 WeakPolarHBondContact OH-CG2 3.41Å; Y223-T245 PolarHBondContact OH-N 3.01Å; D241-T245 WeakPolarHBondContact O-CG2 3.47Å; D241-T245 PolarHBondContact O-N 3.18Å; V242-T245 PolarHBondContact O-N 3.18Å; V242-T245 PolarHBondContact O-OG1 3.25Å
246	R	93.4	Very high	93.9	Very high	77 Å²	77	54.5 Å²	54.5	29%	0.291	28%	0.281	S	S	.	.			trans	-99.7	109.5	173.7	178.7	175.2	172.9	-178.4	3.6	109.6	E111 N144 L216 N217 R244	E111-R246 IonicContact OE1-CZ 2.67Å; E111-R246 IonicContact OE1-NE 3.17Å; E111-R246 PolarHBondContact OE1-NE 3.08Å; E111-R246 IonicContact OE1-NH1 2.8Å; E111-R246 PolarHBondContact OE1-NH1 3.28Å; E111-R246 IonicContact OE1-NH2 3.46Å; E111-R246 PolarHBondContact OE1-NH2 3.48Å; E111-R246 IonicContact OE2-CZ 2.74Å; E111-R246 IonicContact OE2-NH1 2.92Å; E111-R246 IonicContact OE2-NH2 2.81Å; E111-R246 PolarHBondContact OE2-NH2 3.03Å; N144-R246 PolarHBondContact ND2-O 3.34Å; N144-R246 VanDerWaalsContact ND2-O 3.09Å; N144-R246 PolarHBondContact OD1-N 3.27Å; L216-R246 PolarHBondContact O-NH1 3.13Å; N217-R246 VanDerWaalsContact OD1-CD 3.22Å; N217-R246 WeakPolarHBondContact OD1-CD 3.38Å; R244-R246 PolarHBondContact O-N 3.24Å
247	V	91.9	Very high	93.7	Very high	90 Å²	90	52 Å²	52	55%	0.545	27%	0.269	S	S	.	.			trans	-114.3	139.3	163.6	-176.6	0	0	0	0	106.8	V140 T249	V140-V247 HydrophobicContact CG1-CG2 3.61Å; V140-V247 HydrophobicContact CG2-CG2 4.36Å; V247-T249 PolarHBondContact O-N 2.76Å
248	K	90.6	Very high	93.2	Very high	136 Å²	136	55.8 Å²	55.8	59%	0.591	29%	0.292	S	S	*	.			trans	-76.8	105.3	175.1	-70.7	-178.3	176.4	-176.1	0	108.8	T250	K248-T250 PolarHBondContact O-N 3.39Å
249	T	89.5	Confident	92.5	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.184	28%	0.28	C	S	.	.			trans	-60.3	121.2	173.9	-47.2	0	0	0	0	110.5	S115 V247 V253 D268 G270	S115-T249 PolarHBondContact OG-OG1 2.95Å; V247-T249 PolarHBondContact O-N 2.76Å; T249-V253 HydrophobicContact CG2-CG2 4.26Å; T249-D268 PolarHBondContact OG1-OD2 3.49Å; T249-G270 WeakPolarHBondContact O-CA 3.31Å
250	T	90.2	Very high	91.8	Very high	108 Å²	108	55.2 Å²	55.2	66%	0.663	28%	0.283	S	S	*	.			trans	-116.2	133.5	173.6	54.9	0	0	0	0	109.6	K248 E275	K248-T250 PolarHBondContact O-N 3.39Å; T250-E275 WeakPolarHBondContact CA-OE2 3.23Å
251	G	90.2	Very high	91.1	Very high	17 Å²	17	59.3 Å²	59.3	18%	0.175	31%	0.306	C	S	.	.	S	Bend	trans	81.5	-141.9	-175.8	0	0	0	0	0	112.8	G270 E275	G251-G270 PolarHBondContact O-N 3.42Å; G251-E275 PolarHBondContact N-OE2 3.25Å
252	I	91.6	Very high	90.4	Very high	68 Å²	68	60.9 Å²	60.9	35%	0.349	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.3	-176.3	-61.3	153.9	0	0	0	105.8	F267 D268 V269 K278 H281 C282	I252-F267 HydrophobicContact CG2-CD1 4.12Å; I252-D268 WeakPolarHBondContact CA-O 3.35Å; I252-V269 HydrophobicContact CB-CG1 4.37Å; I252-V269 HydrophobicContact CG1-CG1 3.9Å; I252-V269 HydrophobicContact CG2-CG1 4.22Å; I252-K278 HydrophobicContact CD1-CB 4.48Å; I252-H281 HydrophobicContact CD1-CB 4.09Å; I252-C282 VanDerWaalsContact CD1-SG 3.52Å; I252-C282 WeakPolarHBondContact CG2-SG 3.5Å
253	V	92.3	Very high	90	Very high	68 Å²	68	64.9 Å²	64.9	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.4	173	-179	0	0	0	0	107.6	T249 F267 D268	T249-V253 HydrophobicContact CG2-CG2 4.26Å; V253-F267 WeakPolarHBondContact O-CA 3.37Å; V253-D268 PolarHBondContact N-O 2.94Å; V253-D268 PolarHBondContact O-N 3.45Å
254	E	93.1	Very high	89.8	Confident	81 Å²	81	64.9 Å²	64.9	38%	0.379	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	172.6	-168.6	173.3	167.5	0	0	109	H256 K265 M266 F267	E254-H256 IonicContact OE1-CE1 2.88Å; E254-H256 PolarHBondContact OE1-CE1 2.84Å; E254-H256 IonicContact OE1-NE2 2.67Å; E254-H256 PolarHBondContact OE1-NE2 3.19Å; E254-K265 WeakPolarHBondContact OE1-CD 3.4Å; E254-K265 WeakPolarHBondContact OE1-CE 3.21Å; E254-K265 WeakPolarHBondContact OE1-CG 3.11Å; E254-M266 CarbonylContact C-O 3.55Å; E254-M266 WeakPolarHBondContact CA-O 3.36Å; E254-F267 HydrophobicContact CB-CD1 4.15Å; E254-F267 HydrophobicContact CB-CE1 4.04Å; E254-F267 HydrophobicContact CG-CD1 4.06Å; E254-F267 HydrophobicContact CG-CE1 3.61Å; E254-F267 HydrophobicContact CG-CZ 4.08Å; E254-F267 WeakPolarHBondContact OE2-CE1 3.47Å
255	T	91.6	Very high	89.6	Confident	27 Å²	27	64.5 Å²	64.5	17%	0.166	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.9	176.5	-59.6	0	0	0	0	108.9	V118 M266	V118-T255 HydrophobicContact CG1-CG2 4Å; V118-T255 WeakPolarHBondContact CG1-OG1 3.29Å; T255-M266 PolarHBondContact N-O 2.84Å; T255-M266 PolarHBondContact O-N 2.83Å
256	H	92.1	Very high	89.4	Confident	109 Å²	109	64.1 Å²	64.1	51%	0.505	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127	-171.2	-56.5	-117.4	0	0	0	109.6	E254 F264	E254-H256 IonicContact OE1-CE1 2.88Å; E254-H256 PolarHBondContact OE1-CE1 2.84Å; E254-H256 IonicContact OE1-NE2 2.67Å; E254-H256 PolarHBondContact OE1-NE2 3.19Å; H256-F264 WeakPolarHBondContact CA-O 3.23Å
257	F	90.9	Very high	89.5	Confident	10 Å²	10	61.7 Å²	61.7	4%	0.044	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.3	174.3	60.8	-86	0	0	0	111	M121 H125 E126 F259 F264 M266 F404	M121-F257 HydrophobicContact CB-CD1 3.97Å; M121-F257 HydrophobicContact CB-CE1 3.79Å; M121-F257 HydrophobicContact CB-CG 4.49Å; M121-F257 HydrophobicContact CB-CZ 4.16Å; M121-F257 HydrophobicContact CG-CD1 4.41Å; M121-F257 HydrophobicContact CG-CE1 3.72Å; M121-F257 HydrophobicContact CG-CZ 3.85Å; M121-F257 HydrophobicContact SD-CE1 4.14Å; M121-F257 HydrophobicContact SD-CE2 4.13Å; M121-F257 HydrophobicContact SD-CZ 3.61Å; H125-F257 HydrophobicContact CB-CB 4.13Å; H125-F257 HydrophobicContact CB-CD2 3.75Å; H125-F257 HydrophobicContact CB-CG 4.23Å; H125-F257 AromaticContact CD2-CD2 3.64Å; H125-F257 AromaticContact CD2-CE2 3.57Å; H125-F257 AromaticContact CG-CD2 3.83Å; E126-F257 HydrophobicContact CG-CB 4.48Å; F257-F259 HydrophobicContact CD2-CB 4.48Å; F257-F264 HydrophobicContact CD1-CB 4.04Å; F257-F264 HydrophobicContact CD2-CB 3.91Å; F257-F264 HydrophobicContact CD2-CD2 4.25Å; F257-F264 HydrophobicContact CD2-CG 4.28Å; F257-F264 HydrophobicContact CE1-CB 3.72Å; F257-F264 HydrophobicContact CE2-CB 3.57Å; F257-F264 HydrophobicContact CE2-CD1 4.34Å; F257-F264 AromaticContact CE2-CD2 3.84Å; F257-F264 HydrophobicContact CE2-CD2 3.84Å; F257-F264 AromaticContact CE2-CG 3.66Å; F257-F264 HydrophobicContact CE2-CG 3.66Å; F257-F264 HydrophobicContact CG-CB 4.14Å; F257-F264 HydrophobicContact CZ-CB 3.47Å; F257-F264 VanDerWaalsContact CZ-CB 3.47Å; F257-F264 HydrophobicContact CZ-CD1 4.2Å; F257-F264 HydrophobicContact CZ-CD2 4.45Å; F257-F264 AromaticContact CZ-CG 3.8Å; F257-F264 HydrophobicContact CZ-CG 3.8Å; F257-F264 PolarHBondContact N-O 3.33Å; F257-F264 VanDerWaalsContact N-O 3.11Å; F257-F264 PolarHBondContact O-N 3.06Å; F257-M266 HydrophobicContact CE1-CB 4.11Å; F257-M266 HydrophobicContact CE1-CE 4Å; F257-M266 HydrophobicContact CZ-CE 3.98Å; F257-F404 AromaticContact CE2-CE1 3.84Å; F257-F404 HydrophobicContact CE2-CE1 3.84Å; F257-F404 AromaticContact CE2-CZ 3.79Å; F257-F404 HydrophobicContact CE2-CZ 3.79Å; F257-F404 HydrophobicContact CZ-CE1 4.14Å; F257-F404 HydrophobicContact CZ-CE2 4.3Å; F257-F404 AromaticContact CZ-CZ 3.62Å; F257-F404 HydrophobicContact CZ-CZ 3.62Å
258	T	86.9	Confident	89.6	Confident	83 Å²	83	57.8 Å²	57.8	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	179.5	45.6	0	0	0	0	110.7	L262 H263	T258-L262 WeakPolarHBondContact CA-O 3.35Å; T258-H263 WeakPolarHBondContact CG2-ND1 3.4Å
259	F	83.8	Confident	89.8	Confident	35 Å²	35	51.3 Å²	51.3	15%	0.154	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.2	176.1	179.6	-120	0	0	0	110.7	H125 F257 D261 L262 F264 F404 D405 T408	H125-F259 AromaticContact CE1-CD2 3.42Å; H125-F259 VanDerWaalsContact CE1-CD2 3.42Å; H125-F259 WeakPolarHBondContact CE1-CD2 3.29Å; H125-F259 AromaticContact CE1-CE2 3.78Å; H125-F259 AromaticContact CE1-CG 3.65Å; H125-F259 AromaticContact ND1-CD2 3.47Å; H125-F259 WeakPolarHBondContact ND1-CD2 3.24Å; H125-F259 AromaticContact ND1-CG 3.85Å; F257-F259 HydrophobicContact CD2-CB 4.48Å; F259-D261 VanDerWaalsContact C-N 3.28Å; F259-D261 PolarHBondContact O-N 2.7Å; F259-L262 PolarHBondContact N-O 3.08Å; F259-L262 WeakPolarHBondContact O-CB 3.25Å; F259-L262 PolarHBondContact O-N 2.68Å; F259-F264 HydrophobicContact CB-CD2 4.08Å; F259-F264 HydrophobicContact CB-CE2 3.85Å; F259-F264 HydrophobicContact CD1-CE2 4.22Å; F259-F404 HydrophobicContact CD1-CD1 4.43Å; F259-F404 HydrophobicContact CD1-CE1 4.08Å; F259-D405 WeakPolarHBondContact CZ-OD1 3.42Å; F259-T408 HydrophobicContact CD1-CG2 3.9Å; F259-T408 HydrophobicContact CE1-CG2 3.77Å
260	K	81.1	Confident	89.9	Confident	94 Å²	94	49.9 Å²	49.9	41%	0.409	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	47.6	-175.8	-67.2	173.8	172.8	167.9	0	113	L262 T408 D409	K260-L262 PolarHBondContact O-N 3.11Å; K260-L262 VanDerWaalsContact O-N 3.1Å; K260-T408 HydrophobicContact CD-CG2 4.28Å; K260-D409 IonicContact NZ-OD1 2.68Å; K260-D409 PolarHBondContact NZ-OD1 3.19Å; K260-D409 IonicContact NZ-OD2 3.08Å
261	D	80.1	Confident	89.9	Confident	149 Å²	149	45.1 Å²	45.1	80%	0.797	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	13.1	-176.9	-56.3	-42.8	0	0	0	116.6	F259	F259-D261 VanDerWaalsContact C-N 3.28Å; F259-D261 PolarHBondContact O-N 2.7Å
262	L	83.6	Confident	89.9	Confident	33 Å²	33	47.1 Å²	47.1	17%	0.173	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.6	172.4	-61.2	173.2	0	0	0	111.2	R100 V102 T258 F259 K260 F264 I412	R100-L262 HydrophobicContact CB-CD2 4.35Å; V102-L262 HydrophobicContact CG2-CB 4.37Å; V102-L262 HydrophobicContact CG2-CD1 4.14Å; T258-L262 WeakPolarHBondContact CA-O 3.35Å; F259-L262 PolarHBondContact N-O 3.08Å; F259-L262 WeakPolarHBondContact O-CB 3.25Å; F259-L262 PolarHBondContact O-N 2.68Å; K260-L262 PolarHBondContact O-N 3.11Å; K260-L262 VanDerWaalsContact O-N 3.1Å; L262-F264 HydrophobicContact CB-CD2 4.35Å; L262-F264 HydrophobicContact CB-CE2 3.86Å; L262-I412 HydrophobicContact CD1-CD1 3.53Å; L262-I412 HydrophobicContact CD1-CG1 3.58Å
263	H	88.3	Confident	89.9	Confident	84 Å²	84	48.4 Å²	48.4	39%	0.389	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.8	175.3	-65.4	-71.1	0	0	0	109.2	R100 E101 V102 T258	R100-H263 PolarHBondContact O-N 3.03Å; E101-H263 CarbonylContact C-O 3.57Å; E101-H263 WeakPolarHBondContact CA-O 3.42Å; V102-H263 PolarHBondContact N-O 3.17Å; T258-H263 WeakPolarHBondContact CG2-ND1 3.4Å
264	F	90.9	Very high	89.8	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.6	177.3	-74.2	-93.8	0	0	0	110.7	V102 L104 H256 F257 F259 L262 F404 T408	V102-F264 HydrophobicContact CB-CD1 3.78Å; V102-F264 HydrophobicContact CB-CE1 3.82Å; V102-F264 HydrophobicContact CB-CG 4.37Å; V102-F264 HydrophobicContact CB-CZ 4.4Å; V102-F264 HydrophobicContact CG1-CD1 3.74Å; V102-F264 HydrophobicContact CG1-CE1 3.54Å; V102-F264 HydrophobicContact CG1-CZ 4.41Å; V102-F264 HydrophobicContact CG2-CE1 4.34Å; V102-F264 HydrophobicContact CG2-CZ 4.48Å; V102-F264 WeakPolarHBondContact O-CA 3.47Å; L104-F264 HydrophobicContact CD1-CD1 3.56Å; L104-F264 HydrophobicContact CD1-CE1 3.92Å; L104-F264 HydrophobicContact CG-CD1 3.99Å; L104-F264 HydrophobicContact CG-CE1 4.42Å; H256-F264 WeakPolarHBondContact CA-O 3.23Å; F257-F264 HydrophobicContact CD1-CB 4.04Å; F257-F264 HydrophobicContact CD2-CB 3.91Å; F257-F264 HydrophobicContact CD2-CD2 4.25Å; F257-F264 HydrophobicContact CD2-CG 4.28Å; F257-F264 HydrophobicContact CE1-CB 3.72Å; F257-F264 HydrophobicContact CE2-CB 3.57Å; F257-F264 HydrophobicContact CE2-CD1 4.34Å; F257-F264 AromaticContact CE2-CD2 3.84Å; F257-F264 HydrophobicContact CE2-CD2 3.84Å; F257-F264 AromaticContact CE2-CG 3.66Å; F257-F264 HydrophobicContact CE2-CG 3.66Å; F257-F264 HydrophobicContact CG-CB 4.14Å; F257-F264 HydrophobicContact CZ-CB 3.47Å; F257-F264 VanDerWaalsContact CZ-CB 3.47Å; F257-F264 HydrophobicContact CZ-CD1 4.2Å; F257-F264 HydrophobicContact CZ-CD2 4.45Å; F257-F264 AromaticContact CZ-CG 3.8Å; F257-F264 HydrophobicContact CZ-CG 3.8Å; F257-F264 PolarHBondContact N-O 3.33Å; F257-F264 VanDerWaalsContact N-O 3.11Å; F257-F264 PolarHBondContact O-N 3.06Å; F259-F264 HydrophobicContact CB-CD2 4.08Å; F259-F264 HydrophobicContact CB-CE2 3.85Å; F259-F264 HydrophobicContact CD1-CE2 4.22Å; L262-F264 HydrophobicContact CB-CD2 4.35Å; L262-F264 HydrophobicContact CB-CE2 3.86Å; F264-F404 HydrophobicContact CD1-CZ 4.09Å; F264-F404 HydrophobicContact CE1-CE1 4.45Å; F264-F404 AromaticContact CE1-CZ 3.93Å; F264-F404 HydrophobicContact CE1-CZ 3.93Å; F264-F404 HydrophobicContact CZ-CE1 4.45Å; F264-F404 HydrophobicContact CZ-CZ 4.37Å; F264-T408 HydrophobicContact CZ-CG2 4.01Å
265	K	92.6	Very high	89.8	Confident	44 Å²	44	45.8 Å²	45.8	19%	0.191	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.6	164.2	-81.7	178.7	174.2	162.6	0	108.9	E101 V102 K103 L104 E254 F267	E101-K265 VanDerWaalsContact CD-CD 3.42Å; E101-K265 VanDerWaalsContact CD-CE 3.48Å; E101-K265 HydrophobicContact CG-CD 4.02Å; E101-K265 HydrophobicContact CG-CG 4.37Å; E101-K265 WeakPolarHBondContact OE1-CE 3.44Å; E101-K265 IonicContact OE1-NZ 2.62Å; E101-K265 PolarHBondContact OE1-NZ 3.19Å; E101-K265 WeakPolarHBondContact OE2-CD 3.18Å; E101-K265 IonicContact OE2-NZ 3.81Å; E101-K265 PolarHBondContact OE2-NZ 2.98Å; V102-K265 PolarHBondContact O-N 2.76Å; K103-K265 WeakPolarHBondContact CA-O 3.47Å; K103-K265 HydrophobicContact CG-CB 4.33Å; L104-K265 PolarHBondContact N-O 3.47Å; E254-K265 WeakPolarHBondContact OE1-CD 3.4Å; E254-K265 WeakPolarHBondContact OE1-CE 3.21Å; E254-K265 WeakPolarHBondContact OE1-CG 3.11Å; K265-F267 HydrophobicContact CB-CE2 4.05Å; K265-F267 HydrophobicContact CB-CZ 4.31Å
266	M	93.2	Very high	89.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.2	179.4	-171.1	171.7	-73.5	0	0	110.3	L104 L106 V118 M121 E254 T255 F257 I290 F404	L104-M266 HydrophobicContact CB-CE 4.34Å; L104-M266 HydrophobicContact CB-CG 4.42Å; L104-M266 HydrophobicContact CD1-CE 3.64Å; L104-M266 WeakPolarHBondContact O-CA 3.47Å; L106-M266 HydrophobicContact CD1-CG 3.72Å; L106-M266 HydrophobicContact CD1-SD 3.58Å; L106-M266 VanDerWaalsContact CD1-SD 3.58Å; L106-M266 HydrophobicContact CG-CG 4.13Å; L106-M266 HydrophobicContact CG-SD 4.19Å; V118-M266 HydrophobicContact CG2-CG 4.28Å; V118-M266 HydrophobicContact CG2-SD 3.93Å; M121-M266 HydrophobicContact CG-CE 3.7Å; M121-M266 HydrophobicContact CG-SD 3.73Å; M121-M266 HydrophobicContact SD-CE 3.85Å; E254-M266 CarbonylContact C-O 3.55Å; E254-M266 WeakPolarHBondContact CA-O 3.36Å; T255-M266 PolarHBondContact N-O 2.84Å; T255-M266 PolarHBondContact O-N 2.83Å; F257-M266 HydrophobicContact CE1-CB 4.11Å; F257-M266 HydrophobicContact CE1-CE 4Å; F257-M266 HydrophobicContact CZ-CE 3.98Å; M266-I290 HydrophobicContact CE-CD1 4.38Å; M266-F404 HydrophobicContact CE-CE2 3.92Å
267	F	94.5	Very high	89.7	Confident	27 Å²	27	50.1 Å²	50.1	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109	179.6	-61.2	-85.1	0	0	0	110.1	K103 L104 L105 L106 I252 V253 E254 K265	K103-F267 HydrophobicContact CB-CE2 4.32Å; K103-F267 HydrophobicContact CG-CE2 4.31Å; L104-F267 PolarHBondContact O-N 2.81Å; L105-F267 HydrophobicContact CD1-CB 3.81Å; L106-F267 WeakPolarHBondContact CB-O 3.47Å; L106-F267 PolarHBondContact N-O 3.23Å; I252-F267 HydrophobicContact CG2-CD1 4.12Å; V253-F267 WeakPolarHBondContact O-CA 3.37Å; E254-F267 HydrophobicContact CB-CD1 4.15Å; E254-F267 HydrophobicContact CB-CE1 4.04Å; E254-F267 HydrophobicContact CG-CD1 4.06Å; E254-F267 HydrophobicContact CG-CE1 3.61Å; E254-F267 HydrophobicContact CG-CZ 4.08Å; E254-F267 WeakPolarHBondContact OE2-CE1 3.47Å; K265-F267 HydrophobicContact CB-CE2 4.05Å; K265-F267 HydrophobicContact CB-CZ 4.31Å
268	D	94.7	Very high	89.7	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.3	167.1	-179.6	35.8	0	0	0	110.2	L106 K114 S115 V118 T249 I252 V253	L106-D268 HydrophobicContact CD1-CB 4.29Å; K114-D268 VanDerWaalsContact CB-OD1 3.22Å; K114-D268 WeakPolarHBondContact CB-OD1 3.44Å; S115-D268 WeakPolarHBondContact CA-OD2 3.23Å; S115-D268 VanDerWaalsContact CB-OD2 3.26Å; S115-D268 WeakPolarHBondContact CB-OD2 3.29Å; S115-D268 PolarHBondContact OG-OD2 3.27Å; V118-D268 HydrophobicContact CG2-CB 3.73Å; T249-D268 PolarHBondContact OG1-OD2 3.49Å; I252-D268 WeakPolarHBondContact CA-O 3.35Å; V253-D268 PolarHBondContact N-O 2.94Å; V253-D268 PolarHBondContact O-N 3.45Å
269	V	94.5	Very high	90	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.1	-176.5	-60.2	0	0	0	0	110.7	L105 L106 L107 K114 I252 G271 W279	L105-V269 HydrophobicContact CD1-CG1 4.3Å; L106-V269 WeakPolarHBondContact O-CG2 3.38Å; L107-V269 HydrophobicContact CD2-CG2 3.72Å; K114-V269 WeakPolarHBondContact CE-O 3.46Å; I252-V269 HydrophobicContact CB-CG1 4.37Å; I252-V269 HydrophobicContact CG1-CG1 3.9Å; I252-V269 HydrophobicContact CG2-CG1 4.22Å; V269-G271 PolarHBondContact O-N 3.28Å; V269-W279 VanDerWaalsContact CG2-CD1 3.48Å; V269-W279 HydrophobicContact CG2-CD2 4.18Å; V269-W279 HydrophobicContact CG2-CG 4.04Å; V269-W279 HydrophobicContact CG2-CZ2 4.3Å; V269-W279 VanDerWaalsContact CG2-NE1 3.28Å
270	G	92.8	Very high	90.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	25%	0.247	C	C	.	.			trans	-53.6	124.3	179.2	0	0	0	0	0	112.6	T249 G251 E275 W279	T249-G270 WeakPolarHBondContact O-CA 3.31Å; G251-G270 PolarHBondContact O-N 3.42Å; G270-E275 WeakPolarHBondContact O-CB 3.3Å; G270-W279 PolarHBondContact O-NE1 3.02Å
271	G	90	Very high	90.3	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	26%	0.26	C	S	.	.			trans	-83.2	-16.3	-175.7	0	0	0	0	0	115.9	G110 V269 R276	G110-G271 PolarHBondContact N-O 3.48Å; V269-G271 PolarHBondContact O-N 3.28Å; G271-R276 PolarHBondContact O-NE 3.16Å; G271-R276 PolarHBondContact O-NH2 3.16Å
272	Q	89.6	Confident	90.7	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.271	23%	0.226	S	C	.	.	S	Bend	trans	-68	151.1	178.8	-73	166	36.5	0	0	110.8	S274 E275 R276	Q272-S274 PolarHBondContact O-N 2.76Å; Q272-S274 VanDerWaalsContact O-N 3.16Å; Q272-E275 PolarHBondContact O-N 3.19Å; Q272-R276 VanDerWaalsContact O-CG 3.27Å; Q272-R276 WeakPolarHBondContact O-CG 3.31Å
273	R	91.6	Very high	90.9	Very high	95 Å²	95	47.3 Å²	47.3	36%	0.358	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.6	-174.8	-69.7	174.2	173.3	-179	1.8	112.7	E275 E304 D305	R273-E275 VanDerWaalsContact C-N 3.32Å; R273-E275 PolarHBondContact O-N 3.2Å; R273-E304 WeakPolarHBondContact CB-OE1 3.43Å; R273-E304 WeakPolarHBondContact CG-OE2 3.4Å; R273-E304 PolarHBondContact N-OE1 3.34Å; R273-E304 PolarHBondContact N-OE2 2.94Å; R273-D305 IonicContact CZ-OD2 3.56Å; R273-D305 VanDerWaalsContact CZ-OD2 3.23Å; R273-D305 IonicContact NH1-OD2 2.75Å; R273-D305 PolarHBondContact NH1-OD2 3.2Å; R273-D305 IonicContact NH2-OD2 3.5Å; R273-D305 PolarHBondContact NH2-OD2 2.89Å
274	S	89.8	Confident	90.7	Very high	70 Å²	70	51.4 Å²	51.4	49%	0.49	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.2	175.6	50.5	0	0	0	0	113.7	Q272	Q272-S274 PolarHBondContact O-N 2.76Å; Q272-S274 VanDerWaalsContact O-N 3.16Å
275	E	92.9	Very high	90.3	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.112	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-22.8	-171.2	-65.7	-61.2	103.2	0	0	113.1	T250 G251 G270 Q272 R273 K277 K278	T250-E275 WeakPolarHBondContact CA-OE2 3.23Å; G251-E275 PolarHBondContact N-OE2 3.25Å; G270-E275 WeakPolarHBondContact O-CB 3.3Å; Q272-E275 PolarHBondContact O-N 3.19Å; R273-E275 VanDerWaalsContact C-N 3.32Å; R273-E275 PolarHBondContact O-N 3.2Å; E275-K277 PolarHBondContact O-N 3.19Å; E275-K278 WeakPolarHBondContact O-CB 3.19Å; E275-K278 WeakPolarHBondContact O-CG 3.45Å; E275-K278 PolarHBondContact O-N 3.26Å; E275-K278 IonicContact OE1-NZ 3.58Å; E275-K278 PolarHBondContact OE1-NZ 3.3Å; E275-K278 IonicContact OE2-NZ 2.69Å; E275-K278 PolarHBondContact OE2-NZ 2.94Å
276	R	92.1	Very high	90.2	Very high	46 Å²	46	52.4 Å²	52.4	17%	0.174	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63	-20	-171.4	-48.5	-167.7	-173.2	160.7	-5.8	115.2	G271 Q272 K278 W279 E313	G271-R276 PolarHBondContact O-NE 3.16Å; G271-R276 PolarHBondContact O-NH2 3.16Å; Q272-R276 VanDerWaalsContact O-CG 3.27Å; Q272-R276 WeakPolarHBondContact O-CG 3.31Å; R276-K278 PolarHBondContact O-N 3.09Å; R276-W279 HydrophobicContact CB-CD2 4.02Å; R276-W279 HydrophobicContact CB-CE3 4.4Å; R276-W279 HydrophobicContact CB-CG 4.41Å; R276-W279 HydrophobicContact CB-CZ2 4.35Å; R276-W279 HydrophobicContact CG-CD2 4.33Å; R276-W279 HydrophobicContact CG-CH2 4.23Å; R276-W279 HydrophobicContact CG-CZ2 3.75Å; R276-W279 WeakPolarHBondContact O-CB 3.35Å; R276-W279 PolarHBondContact O-N 3.14Å; R276-E313 IonicContact CZ-OE1 3.52Å; R276-E313 VanDerWaalsContact CZ-OE1 3.23Å; R276-E313 IonicContact CZ-OE2 2.63Å; R276-E313 IonicContact NH1-OE1 3.23Å; R276-E313 PolarHBondContact NH1-OE1 2.87Å; R276-E313 IonicContact NH1-OE2 3.4Å; R276-E313 VanDerWaalsContact NH2-CD 3.25Å; R276-E313 IonicContact NH2-OE1 2.79Å; R276-E313 PolarHBondContact NH2-OE1 3.09Å; R276-E313 IonicContact NH2-OE2 2.69Å; R276-E313 PolarHBondContact NH2-OE2 3.23Å
277	K	89.7	Confident	90	Very high	181 Å²	181	53.7 Å²	53.7	79%	0.787	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.3	172.9	-66	-178.9	-178.4	175.9	0	112.5	E275	E275-K277 PolarHBondContact O-N 3.19Å
278	K	91.6	Very high	89.8	Confident	75 Å²	75	52.4 Å²	52.4	33%	0.326	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.4	-20	-179.1	-55.6	174.4	-172.6	168.3	0	112.6	I252 E275 R276 I280 H281	I252-K278 HydrophobicContact CD1-CB 4.48Å; E275-K278 WeakPolarHBondContact O-CB 3.19Å; E275-K278 WeakPolarHBondContact O-CG 3.45Å; E275-K278 PolarHBondContact O-N 3.26Å; E275-K278 IonicContact OE1-NZ 3.58Å; E275-K278 PolarHBondContact OE1-NZ 3.3Å; E275-K278 IonicContact OE2-NZ 2.69Å; E275-K278 PolarHBondContact OE2-NZ 2.94Å; R276-K278 PolarHBondContact O-N 3.09Å; K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 PolarHBondContact O-N 3.44Å; K278-H281 WeakPolarHBondContact O-CB 3.4Å; K278-H281 PolarHBondContact O-CD2 3.3Å; K278-H281 PolarHBondContact O-N 3.43Å; K278-H281 VanDerWaalsContact O-N 3.16Å
279	W	92	Very high	89.8	Confident	11 Å²	11	52.1 Å²	52.1	4%	0.042	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-34.4	-172.1	-67.3	4.2	0	0	0	113.7	L107 V269 G270 R276 H281 C282 F283 L317 I321	L107-W279 HydrophobicContact CB-CZ3 4.47Å; L107-W279 HydrophobicContact CD1-CZ3 4.47Å; L107-W279 HydrophobicContact CD2-CD2 3.88Å; L107-W279 HydrophobicContact CD2-CE3 3.72Å; L107-W279 HydrophobicContact CD2-CG 4.43Å; L107-W279 HydrophobicContact CD2-CH2 4.19Å; L107-W279 HydrophobicContact CD2-CZ2 4.38Å; L107-W279 HydrophobicContact CD2-CZ3 3.88Å; V269-W279 VanDerWaalsContact CG2-CD1 3.48Å; V269-W279 HydrophobicContact CG2-CD2 4.18Å; V269-W279 HydrophobicContact CG2-CG 4.04Å; V269-W279 HydrophobicContact CG2-CZ2 4.3Å; V269-W279 VanDerWaalsContact CG2-NE1 3.28Å; G270-W279 PolarHBondContact O-NE1 3.02Å; R276-W279 HydrophobicContact CB-CD2 4.02Å; R276-W279 HydrophobicContact CB-CE3 4.4Å; R276-W279 HydrophobicContact CB-CG 4.41Å; R276-W279 HydrophobicContact CB-CZ2 4.35Å; R276-W279 HydrophobicContact CG-CD2 4.33Å; R276-W279 HydrophobicContact CG-CH2 4.23Å; R276-W279 HydrophobicContact CG-CZ2 3.75Å; R276-W279 WeakPolarHBondContact O-CB 3.35Å; R276-W279 PolarHBondContact O-N 3.14Å; W279-H281 PolarHBondContact O-N 3.49Å; W279-H281 VanDerWaalsContact O-N 3.09Å; W279-C282 PolarHBondContact O-N 2.85Å; W279-F283 HydrophobicContact CB-CE1 3.73Å; W279-F283 HydrophobicContact CB-CZ 4.07Å; W279-F283 WeakPolarHBondContact O-CD1 3.45Å; W279-F283 WeakPolarHBondContact O-CE1 3.43Å; W279-L317 HydrophobicContact CH2-CD1 3.88Å; W279-L317 HydrophobicContact CH2-CD2 4.04Å; W279-L317 HydrophobicContact CH2-CG 4.3Å; W279-L317 HydrophobicContact CZ3-CD1 3.79Å; W279-L317 HydrophobicContact CZ3-CG 4.49Å; W279-I321 HydrophobicContact CE3-CD1 4.32Å; W279-I321 HydrophobicContact CZ3-CD1 4.14Å; W279-I321 HydrophobicContact CZ3-CG1 4.46Å
280	I	86.2	Confident	89.8	Confident	78 Å²	78	52.1 Å²	52.1	40%	0.4	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-57.8	-25.2	-179.3	-169.1	58.8	0	0	0	113.3	K278 C282 F283	K278-I280 VanDerWaalsContact C-N 3.26Å; K278-I280 PolarHBondContact O-N 3.44Å; I280-C282 PolarHBondContact O-N 2.76Å; I280-F283 HydrophobicContact CD1-CB 4.27Å; I280-F283 HydrophobicContact CD1-CD2 3.55Å; I280-F283 HydrophobicContact CD1-CE2 4.15Å; I280-F283 HydrophobicContact CD1-CG 4.08Å; I280-F283 PolarHBondContact O-N 2.92Å
281	H	86.1	Confident	90.1	Very high	149 Å²	149	52 Å²	52	69%	0.69	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-70.3	-10.8	176.5	-57.4	-58.8	0	0	0	113.6	I252 K278 W279	I252-H281 HydrophobicContact CD1-CB 4.09Å; K278-H281 WeakPolarHBondContact O-CB 3.4Å; K278-H281 PolarHBondContact O-CD2 3.3Å; K278-H281 PolarHBondContact O-N 3.43Å; K278-H281 VanDerWaalsContact O-N 3.16Å; W279-H281 PolarHBondContact O-N 3.49Å; W279-H281 VanDerWaalsContact O-N 3.09Å
282	C	88.9	Confident	90.5	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.074	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-111.7	6.7	178.9	-53.3	0	0	0	0	113.2	L105 I252 W279 I280 V286	L105-C282 HydrophobicContact CD1-CB 3.66Å; I252-C282 VanDerWaalsContact CD1-SG 3.52Å; I252-C282 WeakPolarHBondContact CG2-SG 3.5Å; W279-C282 PolarHBondContact O-N 2.85Å; I280-C282 PolarHBondContact O-N 2.76Å; C282-V286 WeakPolarHBondContact O-CG2 3.22Å
283	F	87.4	Confident	90.9	Very high	21 Å²	21	48.9 Å²	48.9	9%	0.092	25%	0.245	C	C	.	.			trans	-85.8	-16.7	-171.4	-76.5	15.8	0	0	0	113.6	L105 W279 I280 I321 W326 F327	L105-F283 HydrophobicContact CD2-CD1 3.66Å; L105-F283 HydrophobicContact CD2-CE1 3.77Å; W279-F283 HydrophobicContact CB-CE1 3.73Å; W279-F283 HydrophobicContact CB-CZ 4.07Å; W279-F283 WeakPolarHBondContact O-CD1 3.45Å; W279-F283 WeakPolarHBondContact O-CE1 3.43Å; I280-F283 HydrophobicContact CD1-CB 4.27Å; I280-F283 HydrophobicContact CD1-CD2 3.55Å; I280-F283 HydrophobicContact CD1-CE2 4.15Å; I280-F283 HydrophobicContact CD1-CG 4.08Å; I280-F283 PolarHBondContact O-N 2.92Å; F283-I321 HydrophobicContact CZ-CD1 4.32Å; F283-W326 HydrophobicContact CD2-CB 4.29Å; F283-W326 HydrophobicContact CD2-CG 4.42Å; F283-F327 HydrophobicContact CB-CE1 4.13Å; F283-F327 HydrophobicContact CB-CZ 4.11Å; F283-F327 HydrophobicContact CD1-CE1 4.26Å; F283-F327 HydrophobicContact CD1-CE2 4.34Å; F283-F327 AromaticContact CD1-CZ 3.48Å; F283-F327 HydrophobicContact CD1-CZ 3.48Å; F283-F327 VanDerWaalsContact CD1-CZ 3.48Å; F283-F327 HydrophobicContact CD2-CE1 4.09Å; F283-F327 AromaticContact CD2-CE2 3.87Å; F283-F327 HydrophobicContact CD2-CE2 3.87Å; F283-F327 AromaticContact CD2-CZ 3.43Å; F283-F327 HydrophobicContact CD2-CZ 3.43Å; F283-F327 VanDerWaalsContact CD2-CZ 3.43Å; F283-F327 HydrophobicContact CE1-CE2 4.04Å; F283-F327 AromaticContact CE1-CZ 3.58Å; F283-F327 HydrophobicContact CE1-CZ 3.58Å; F283-F327 AromaticContact CE2-CE2 3.55Å; F283-F327 HydrophobicContact CE2-CE2 3.55Å; F283-F327 AromaticContact CE2-CZ 3.55Å; F283-F327 HydrophobicContact CE2-CZ 3.55Å; F283-F327 AromaticContact CG-CE1 3.92Å; F283-F327 HydrophobicContact CG-CE1 3.92Å; F283-F327 HydrophobicContact CG-CE2 4.27Å; F283-F327 AromaticContact CG-CZ 3.4Å; F283-F327 HydrophobicContact CG-CZ 3.4Å; F283-F327 AromaticContact CZ-CE2 3.64Å; F283-F327 HydrophobicContact CZ-CE2 3.64Å; F283-F327 AromaticContact CZ-CZ 3.62Å; F283-F327 HydrophobicContact CZ-CZ 3.62Å
284	E	84.2	Confident	91.2	Very high	170 Å²	170	44.7 Å²	44.7	79%	0.794	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	126.4	-176.6	-173.8	169.4	-162.4	0	0	112.1	V286	E284-V286 VanDerWaalsContact C-N 3.27Å; E284-V286 PolarHBondContact O-N 3.22Å
285	G	82.8	Confident	91.6	Very high	54 Å²	54	41.4 Å²	41.4	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	20.2	177.5	0	0	0	0	0	115	K103 T287	K103-G285 WeakPolarHBondContact CD-O 3.46Å; G285-T287 PolarHBondContact O-N 2.81Å
286	V	89.6	Confident	91.8	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.091	20%	0.203	C	C	.	.			trans	-66.8	121.3	175.3	176	0	0	0	0	110.1	L105 C282 E284 A288 I289 T330	L105-V286 HydrophobicContact CB-CG1 3.8Å; L105-V286 HydrophobicContact CB-CG2 4.1Å; L105-V286 HydrophobicContact CD2-CG2 4.16Å; C282-V286 WeakPolarHBondContact O-CG2 3.22Å; E284-V286 VanDerWaalsContact C-N 3.27Å; E284-V286 PolarHBondContact O-N 3.22Å; V286-A288 VanDerWaalsContact CG1-O 3.26Å; V286-A288 WeakPolarHBondContact CG1-O 3.41Å; V286-I289 HydrophobicContact CG1-CG1 4.11Å; V286-T330 HydrophobicContact CG1-CG2 4.07Å
287	T	88.9	Confident	92.1	Very high	27 Å²	27	38.5 Å²	38.5	17%	0.166	20%	0.197	C	C	.	.	S	Bend	trans	-71.7	-45.9	176.8	-46.6	0	0	0	0	111.3	V102 K103 G285 I411 N415	V102-T287 HydrophobicContact CG1-CG2 4.06Å; K103-T287 PolarHBondContact N-OG1 2.8Å; K103-T287 WeakPolarHBondContact O-CB 3.11Å; K103-T287 PolarHBondContact O-N 3.03Å; G285-T287 PolarHBondContact O-N 2.81Å; T287-I411 HydrophobicContact CG2-CG2 4Å; T287-N415 WeakPolarHBondContact CG2-ND2 3.49Å; T287-N415 WeakPolarHBondContact CG2-OD1 3.24Å
288	A	91.1	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.8	177.9	0	0	0	0	0	112.3	K103 L104 L105 V286 S331 I333 I411	K103-A288 PolarHBondContact O-N 2.57Å; L104-A288 WeakPolarHBondContact CA-O 3.42Å; L104-A288 HydrophobicContact CD2-CB 3.97Å; L105-A288 PolarHBondContact N-O 3.38Å; L105-A288 VanDerWaalsContact N-O 3.07Å; V286-A288 VanDerWaalsContact CG1-O 3.26Å; V286-A288 WeakPolarHBondContact CG1-O 3.41Å; A288-S331 WeakPolarHBondContact CA-O 3.5Å; A288-I333 HydrophobicContact CB-CD1 3.82Å; A288-I411 HydrophobicContact CB-CD1 3.74Å; A288-I411 HydrophobicContact CB-CG1 4.02Å
289	I	93.8	Very high	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.3	173.6	-63.2	168.5	0	0	0	108.8	L105 L107 V286 F291 I321 F327 T330 S331 I332 I333	L105-I289 HydrophobicContact CB-CG1 4.48Å; L105-I289 WeakPolarHBondContact O-CA 3.17Å; L107-I289 HydrophobicContact CB-CG2 4.22Å; L107-I289 HydrophobicContact CD1-CD1 4.41Å; L107-I289 HydrophobicContact CD1-CG2 3.91Å; L107-I289 HydrophobicContact CG-CG2 4.09Å; V286-I289 HydrophobicContact CG1-CG1 4.11Å; I289-F291 HydrophobicContact CG2-CB 4.44Å; I289-I321 HydrophobicContact CD1-CG2 4.04Å; I289-F327 HydrophobicContact CD1-CB 4.12Å; I289-F327 HydrophobicContact CD1-CD1 3.67Å; I289-F327 HydrophobicContact CD1-CD2 3.53Å; I289-F327 HydrophobicContact CD1-CE1 3.79Å; I289-F327 HydrophobicContact CD1-CE2 3.65Å; I289-F327 HydrophobicContact CD1-CG 3.51Å; I289-F327 HydrophobicContact CD1-CZ 3.74Å; I289-T330 HydrophobicContact CD1-CG2 4.21Å; I289-T330 HydrophobicContact CG1-CG2 4.03Å; I289-S331 PolarHBondContact N-O 2.96Å; I289-I332 HydrophobicContact CB-CG1 4.28Å; I289-I332 HydrophobicContact CD1-CG1 4.42Å; I289-I333 PolarHBondContact O-N 3.04Å
290	I	95.8	Very high	92.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.7	166.6	-62.4	173.3	0	0	0	107.1	L104 L105 L106 L107 M266 I333 F335	L104-I290 HydrophobicContact CD1-CD1 4.16Å; L105-I290 PolarHBondContact O-N 3.46Å; L106-I290 WeakPolarHBondContact CA-O 3.04Å; L106-I290 HydrophobicContact CD2-CB 3.8Å; L106-I290 HydrophobicContact CD2-CG2 3.68Å; L107-I290 PolarHBondContact N-O 2.85Å; M266-I290 HydrophobicContact CE-CD1 4.38Å; I290-I333 HydrophobicContact CG1-CB 4.32Å; I290-I333 HydrophobicContact CG1-CD1 4.28Å; I290-F335 HydrophobicContact CG2-CD1 4.41Å; I290-F335 HydrophobicContact CG2-CD2 3.43Å; I290-F335 VanDerWaalsContact CG2-CD2 3.43Å; I290-F335 HydrophobicContact CG2-CE1 4.45Å; I290-F335 HydrophobicContact CG2-CE2 3.49Å; I290-F335 VanDerWaalsContact CG2-CE2 3.49Å; I290-F335 HydrophobicContact CG2-CG 3.93Å; I290-F335 HydrophobicContact CG2-CZ 4.01Å
291	F	97.7	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.8	178.6	-165.8	-81.8	0	0	0	110.5	L107 I289 V293 L317 F318 I321 I333 L334 F335 F375	L107-F291 HydrophobicContact CB-CD2 3.79Å; L107-F291 HydrophobicContact CB-CE2 4.29Å; I289-F291 HydrophobicContact CG2-CB 4.44Å; F291-V293 HydrophobicContact CD1-CG2 3.9Å; F291-V293 HydrophobicContact CE1-CG2 3.88Å; F291-L317 HydrophobicContact CE2-CD2 4.49Å; F291-L317 HydrophobicContact CE2-CG 4.06Å; F291-L317 HydrophobicContact CZ-CB 4.2Å; F291-L317 HydrophobicContact CZ-CD2 4.16Å; F291-L317 HydrophobicContact CZ-CG 3.93Å; F291-F318 HydrophobicContact CB-CD2 4.14Å; F291-F318 HydrophobicContact CB-CE2 4.12Å; F291-F318 HydrophobicContact CD1-CB 4.48Å; F291-F318 AromaticContact CD1-CD2 3.55Å; F291-F318 HydrophobicContact CD1-CD2 3.55Å; F291-F318 HydrophobicContact CD1-CE2 4.26Å; F291-F318 HydrophobicContact CD1-CG 4.44Å; F291-F318 AromaticContact CD2-CD2 3.88Å; F291-F318 HydrophobicContact CD2-CD2 3.88Å; F291-F318 HydrophobicContact CE1-CB 3.88Å; F291-F318 AromaticContact CE1-CD2 3.82Å; F291-F318 HydrophobicContact CE1-CD2 3.82Å; F291-F318 HydrophobicContact CE1-CG 4.31Å; F291-F318 HydrophobicContact CE2-CB 4.29Å; F291-F318 HydrophobicContact CE2-CD2 4.12Å; F291-F318 AromaticContact CG-CD2 3.58Å; F291-F318 HydrophobicContact CG-CD2 3.58Å; F291-F318 HydrophobicContact CG-CE2 4.09Å; F291-F318 HydrophobicContact CZ-CB 3.76Å; F291-F318 HydrophobicContact CZ-CD2 4.09Å; F291-F318 HydrophobicContact CZ-CG 4.46Å; F291-I321 HydrophobicContact CD2-CG2 4.49Å; F291-I321 HydrophobicContact CE2-CB 4.5Å; F291-I321 HydrophobicContact CE2-CG1 4.25Å; F291-I333 PolarHBondContact N-O 3.17Å; F291-L334 HydrophobicContact CB-CD1 4.45Å; F291-L334 HydrophobicContact CD1-CD1 4.01Å; F291-F335 PolarHBondContact O-N 2.66Å; F291-F375 HydrophobicContact CE1-CE1 4.46Å
292	C	98	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.7	-177	-57.7	0	0	0	0	111.2	L107 S112 K114 I117	L107-C292 PolarHBondContact O-N 2.64Å; S112-C292 WeakPolarHBondContact CB-O 3.21Å; S112-C292 WeakPolarHBondContact OG-CB 3.22Å; S112-C292 PolarHBondContact OG-O 3.05Å; S112-C292 VanDerWaalsContact OG-O 3.13Å; K114-C292 HydrophobicContact CG-CB 4.05Å; I117-C292 WeakPolarHBondContact CD1-SG 3.49Å
293	V	98.5	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.7	171.2	-179.3	0	0	0	0	108.5	F291 M311 L334 F335 L336 N337 F375	F291-V293 HydrophobicContact CD1-CG2 3.9Å; F291-V293 HydrophobicContact CE1-CG2 3.88Å; V293-M311 HydrophobicContact CG1-CE 4.11Å; V293-M311 HydrophobicContact CG1-SD 3.77Å; V293-L334 HydrophobicContact CG2-CD1 3.66Å; V293-F335 PolarHBondContact N-O 3.44Å; V293-L336 HydrophobicContact CB-CD2 3.92Å; V293-L336 HydrophobicContact CG1-CD2 4.21Å; V293-L336 HydrophobicContact CG2-CD2 4.15Å; V293-N337 WeakPolarHBondContact O-CA 3.31Å; V293-N337 VanDerWaalsContact O-CB 3.29Å; V293-N337 WeakPolarHBondContact O-CB 3.5Å; V293-N337 PolarHBondContact O-N 3.16Å; V293-F375 HydrophobicContact CB-CZ 4.31Å; V293-F375 HydrophobicContact CG1-CE1 4.4Å; V293-F375 HydrophobicContact CG1-CE2 3.84Å; V293-F375 HydrophobicContact CG1-CZ 3.65Å; V293-F375 HydrophobicContact CG2-CD1 3.98Å; V293-F375 HydrophobicContact CG2-CE1 3.48Å; V293-F375 VanDerWaalsContact CG2-CE1 3.48Å; V293-F375 HydrophobicContact CG2-CE2 4.19Å; V293-F375 HydrophobicContact CG2-CZ 3.61Å
294	A	98.1	Very high	93.6	Very high	7 Å²	7	25.2 Å²	25.2	6%	0.058	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.4	169	0	0	0	0	0	109.8	S296 D297 M311 K338	A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 3.3Å; A294-D297 HydrophobicContact CB-CB 3.98Å; A294-D297 VanDerWaalsContact CB-CG 3.46Å; A294-D297 VanDerWaalsContact CB-OD1 3.22Å; A294-D297 WeakPolarHBondContact CB-OD1 3.1Å; A294-D297 PolarHBondContact O-N 3.39Å; A294-M311 VanDerWaalsContact O-CE 3.31Å; A294-M311 WeakPolarHBondContact O-CE 3.17Å; A294-K338 HydrophobicContact CB-CD 3.75Å; A294-K338 HydrophobicContact CB-CG 4.45Å
295	L	98.4	Very high	93.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-60	-39.9	177.6	-73.6	176.7	0	0	0	111.8	D297 Y298 L336 N337 K339 F342 I371 F391	L295-D297 PolarHBondContact O-N 3.14Å; L295-Y298 WeakPolarHBondContact O-CD1 3.43Å; L295-L336 HydrophobicContact CD1-CB 4.01Å; L295-L336 HydrophobicContact CD2-CB 4.01Å; L295-L336 HydrophobicContact CD2-CD2 4.28Å; L295-L336 HydrophobicContact CG-CB 3.98Å; L295-N337 WeakPolarHBondContact CB-O 3.46Å; L295-N337 PolarHBondContact N-O 3.03Å; L295-K339 HydrophobicContact CD1-CB 4.13Å; L295-F342 HydrophobicContact CB-CB 3.63Å; L295-F342 HydrophobicContact CB-CD1 4.35Å; L295-F342 HydrophobicContact CB-CD2 4.01Å; L295-F342 HydrophobicContact CB-CG 3.74Å; L295-F342 HydrophobicContact CD1-CB 4.5Å; L295-F342 HydrophobicContact CD1-CD1 4.34Å; L295-F342 HydrophobicContact CD1-CG 4.49Å; L295-F342 WeakPolarHBondContact O-CD2 3.37Å; L295-I371 HydrophobicContact CD2-CB 4.14Å; L295-I371 HydrophobicContact CD2-CD1 3.96Å; L295-I371 HydrophobicContact CD2-CG2 3.69Å; L295-F391 HydrophobicContact CD1-CD1 3.91Å; L295-F391 HydrophobicContact CD1-CE1 4.18Å
296	S	97.4	Very high	94.2	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.021	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-63.2	-10.1	180	60	0	0	0	0	115.7	A294 K338 K345	A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 3.3Å; S296-K338 WeakPolarHBondContact OG-CD 3.43Å; S296-K345 WeakPolarHBondContact O-CD 3.37Å; S296-K345 PolarHBondContact O-NZ 2.89Å
297	D	97.1	Very high	94.3	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-91.6	4.5	-170.4	-74.7	42.7	0	0	0	112.9	A294 L295 D299 L300 R310 K338	A294-D297 HydrophobicContact CB-CB 3.98Å; A294-D297 VanDerWaalsContact CB-CG 3.46Å; A294-D297 VanDerWaalsContact CB-OD1 3.22Å; A294-D297 WeakPolarHBondContact CB-OD1 3.1Å; A294-D297 PolarHBondContact O-N 3.39Å; L295-D297 PolarHBondContact O-N 3.14Å; D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.32Å; D297-L300 HydrophobicContact CB-CD1 4.33Å; D297-L300 PolarHBondContact O-N 3.38Å; D297-L300 VanDerWaalsContact O-N 3.15Å; D297-R310 HydrophobicContact CB-CB 3.88Å; D297-R310 WeakPolarHBondContact OD2-CD 3.46Å; D297-R310 IonicContact OD2-CZ 3.18Å; D297-R310 IonicContact OD2-NE 3.65Å; D297-R310 IonicContact OD2-NH1 2.94Å; D297-R310 PolarHBondContact OD2-NH1 3.44Å; D297-K338 IonicContact OD1-NZ 2.89Å; D297-K338 PolarHBondContact OD1-NZ 3.3Å; D297-K338 VanDerWaalsContact OD1-NZ 3.08Å
298	Y	97.4	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.5	-177.7	72.4	-85.2	0	0	0	115.6	L295 N309 F342 K345 I346 S349 L351 C354	L295-Y298 WeakPolarHBondContact O-CD1 3.43Å; Y298-N309 PolarHBondContact O-ND2 3.15Å; Y298-F342 AromaticContact CD1-CD2 3.77Å; Y298-F342 HydrophobicContact CD1-CD2 3.77Å; Y298-F342 AromaticContact CD1-CE2 3.7Å; Y298-F342 HydrophobicContact CD1-CE2 3.7Å; Y298-F342 AromaticContact CE1-CD2 3.66Å; Y298-F342 HydrophobicContact CE1-CD2 3.66Å; Y298-F342 AromaticContact CE1-CE2 3.67Å; Y298-F342 HydrophobicContact CE1-CE2 3.67Å; Y298-F342 HydrophobicContact CG-CE2 4.48Å; Y298-K345 HydrophobicContact CE1-CB 4.37Å; Y298-K345 HydrophobicContact CE1-CD 3.83Å; Y298-K345 HydrophobicContact CE1-CG 4.16Å; Y298-K345 PolarHBondContact OH-O 2.83Å; Y298-I346 WeakPolarHBondContact OH-CA 3.12Å; Y298-I346 PolarHBondContact OH-N 3.42Å; Y298-S349 WeakPolarHBondContact CE2-O 3.34Å; Y298-S349 WeakPolarHBondContact OH-CB 3.35Å; Y298-S349 PolarHBondContact OH-O 3.49Å; Y298-L351 HydrophobicContact CD2-CD1 4.01Å; Y298-L351 HydrophobicContact CG-CD1 4.15Å; Y298-C354 VanDerWaalsContact O-CB 3.31Å; Y298-C354 WeakPolarHBondContact O-CB 3.26Å
299	D	96.4	Very high	94.8	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.08	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	17.1	177.2	71.1	-10.6	0	0	0	113	R212 D297 K345 S349 I353	R212-D299 WeakPolarHBondContact CD-OD2 3.49Å; R212-D299 IonicContact NH1-OD2 3.85Å; D297-D299 VanDerWaalsContact C-N 3.33Å; D297-D299 PolarHBondContact O-N 3.32Å; D299-K345 WeakPolarHBondContact OD1-CE 3.26Å; D299-K345 IonicContact OD1-NZ 2.89Å; D299-K345 PolarHBondContact OD1-NZ 3.08Å; D299-K345 IonicContact OD2-NZ 2.73Å; D299-S349 WeakPolarHBondContact OD2-CB 3.33Å; D299-S349 PolarHBondContact OD2-OG 2.89Å; D299-I353 HydrophobicContact CB-CB 4.42Å; D299-I353 HydrophobicContact CB-CD1 4.21Å; D299-I353 HydrophobicContact CB-CG2 3.91Å
300	L	96.1	Very high	94.9	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.099	18%	0.179	C	C	.	.			trans	-106	152	179.4	-60.3	-173.6	0	0	0	111.8	R212 D297 N309 R310	R212-L300 HydrophobicContact CB-CD2 3.72Å; D297-L300 HydrophobicContact CB-CD1 4.33Å; D297-L300 PolarHBondContact O-N 3.38Å; D297-L300 VanDerWaalsContact O-N 3.15Å; L300-N309 CarbonylContact O-C 3.53Å; L300-N309 WeakPolarHBondContact O-CA 3.48Å; L300-R310 HydrophobicContact CB-CB 4.45Å; L300-R310 HydrophobicContact CB-CG 3.92Å; L300-R310 PolarHBondContact O-N 3.35Å
301	V	95.2	Very high	95	Very high	51 Å²	51	34.2 Å²	34.2	31%	0.309	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157	169	-60.5	0	0	0	0	111.4	Q215 E306 M308 R310	Q215-V301 PolarHBondContact NE2-O 3.04Å; V301-E306 WeakPolarHBondContact CB-O 3.29Å; V301-E306 WeakPolarHBondContact CG1-O 3.39Å; V301-M308 WeakPolarHBondContact CA-O 3.26Å; V301-R310 VanDerWaalsContact C-CG 3.48Å; V301-R310 WeakPolarHBondContact O-CG 3.43Å; V301-R310 PolarHBondContact O-NE 2.61Å
302	L	92.8	Very high	95	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.1	179.8	-66.2	164.6	0	0	0	111.1	E304 D305 M308 R310 E313	L302-E304 PolarHBondContact O-N 3.34Å; L302-D305 HydrophobicContact CB-CB 4.16Å; L302-D305 HydrophobicContact CD1-CB 4.16Å; L302-D305 CarbonylContact O-C 3.42Å; L302-D305 PolarHBondContact O-N 3.09Å; L302-M308 HydrophobicContact CD1-CB 3.84Å; L302-M308 HydrophobicContact CD1-CG 3.57Å; L302-M308 WeakPolarHBondContact CG-O 3.45Å; L302-M308 PolarHBondContact N-O 2.8Å; L302-R310 HydrophobicContact CD2-CG 4.02Å; L302-R310 HydrophobicContact CG-CG 4.29Å; L302-E313 HydrophobicContact CD1-CB 3.9Å; L302-E313 HydrophobicContact CD1-CG 3.58Å; L302-E313 HydrophobicContact CD2-CB 4.14Å; L302-E313 HydrophobicContact CD2-CG 3.99Å; L302-E313 HydrophobicContact CG-CB 4.34Å; L302-E313 HydrophobicContact CG-CG 4.33Å
303	A	88.5	Confident	94.9	Very high	69 Å²	69	38 Å²	38	57%	0.57	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.3	169.7	0	0	0	0	0	113.3	Q215	Q215-A303 HydrophobicContact CG-CB 3.99Å
304	E	88.8	Confident	94.9	Very high	81 Å²	81	38.2 Å²	38.2	38%	0.379	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-12.9	-179.9	-59.9	170	114.8	0	0	112.6	R273 L302	R273-E304 WeakPolarHBondContact CB-OE1 3.43Å; R273-E304 WeakPolarHBondContact CG-OE2 3.4Å; R273-E304 PolarHBondContact N-OE1 3.34Å; R273-E304 PolarHBondContact N-OE2 2.94Å; L302-E304 PolarHBondContact O-N 3.34Å
305	D	90.6	Very high	94.9	Very high	48 Å²	48	39 Å²	39	26%	0.257	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	89.6	-161.3	-176.3	-7.3	0	0	0	109.6	R273 L302 E307 M308	R273-D305 IonicContact CZ-OD2 3.56Å; R273-D305 VanDerWaalsContact CZ-OD2 3.23Å; R273-D305 IonicContact NH1-OD2 2.75Å; R273-D305 PolarHBondContact NH1-OD2 3.2Å; R273-D305 IonicContact NH2-OD2 3.5Å; R273-D305 PolarHBondContact NH2-OD2 2.89Å; L302-D305 HydrophobicContact CB-CB 4.16Å; L302-D305 HydrophobicContact CD1-CB 4.16Å; L302-D305 CarbonylContact O-C 3.42Å; L302-D305 PolarHBondContact O-N 3.09Å; D305-E307 PolarHBondContact O-N 3.37Å; D305-M308 HydrophobicContact CB-CB 4.12Å; D305-M308 VanDerWaalsContact CG-CB 3.41Å; D305-M308 PolarHBondContact O-N 3.29Å; D305-M308 VanDerWaalsContact O-N 3.12Å; D305-M308 WeakPolarHBondContact OD2-CB 3.5Å
306	E	88.4	Confident	94.9	Very high	148 Å²	148	45.4 Å²	45.4	69%	0.692	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	-12	-170.3	-64.4	-173.6	163.5	0	0	114.2	V301	V301-E306 WeakPolarHBondContact CB-O 3.29Å; V301-E306 WeakPolarHBondContact CG1-O 3.39Å
307	E	90.6	Very high	94.8	Very high	192 Å²	192	45.8 Å²	45.8	90%	0.897	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	-21	173.6	-63.3	-173.3	166.6	0	0	112.7	D305	D305-E307 PolarHBondContact O-N 3.37Å
308	M	94.1	Very high	94.9	Very high	25 Å²	25	45.4 Å²	45.4	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.2	-172.5	-177.3	74.7	-158.5	0	0	111.3	V301 L302 D305 H312 E313 K316	V301-M308 WeakPolarHBondContact CA-O 3.26Å; L302-M308 HydrophobicContact CD1-CB 3.84Å; L302-M308 HydrophobicContact CD1-CG 3.57Å; L302-M308 WeakPolarHBondContact CG-O 3.45Å; L302-M308 PolarHBondContact N-O 2.8Å; D305-M308 HydrophobicContact CB-CB 4.12Å; D305-M308 VanDerWaalsContact CG-CB 3.41Å; D305-M308 PolarHBondContact O-N 3.29Å; D305-M308 VanDerWaalsContact O-N 3.12Å; D305-M308 WeakPolarHBondContact OD2-CB 3.5Å; M308-H312 HydrophobicContact CE-CB 3.55Å; M308-E313 HydrophobicContact CE-CB 3.89Å; M308-E313 HydrophobicContact CG-CB 4.42Å; M308-K316 HydrophobicContact CE-CD 3.8Å; M308-K316 VanDerWaalsContact CE-NZ 3.34Å; M308-K316 PolarHBondContact SD-NZ 2.95Å; M308-K316 VanDerWaalsContact SD-NZ 3.4Å
309	N	96.5	Very high	94.9	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.112	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	136.4	171.1	-179.9	-74.3	0	0	0	111.9	Y298 L300 M311 H312 E313	Y298-N309 PolarHBondContact O-ND2 3.15Å; L300-N309 CarbonylContact O-C 3.53Å; L300-N309 WeakPolarHBondContact O-CA 3.48Å; N309-M311 WeakPolarHBondContact OD1-CA 3.08Å; N309-M311 WeakPolarHBondContact OD1-CB 3.35Å; N309-M311 PolarHBondContact OD1-N 2.76Å; N309-H312 HydrophobicContact CB-CB 4.25Å; N309-H312 PolarHBondContact OD1-N 3.29Å; N309-E313 PolarHBondContact O-N 3.09Å; N309-E313 VanDerWaalsContact O-N 3.09Å
310	R	96.8	Very high	94.9	Very high	18 Å²	18	50 Å²	50	7%	0.068	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-38.5	-175.8	-66.7	-166.1	177.8	-157.8	-6.4	113.6	E111 D297 L300 V301 L302 E313 S314	E111-R310 IonicContact OE2-CZ 3.36Å; E111-R310 IonicContact OE2-NH1 2.84Å; E111-R310 PolarHBondContact OE2-NH1 2.87Å; E111-R310 IonicContact OE2-NH2 3.11Å; E111-R310 PolarHBondContact OE2-NH2 2.62Å; D297-R310 HydrophobicContact CB-CB 3.88Å; D297-R310 WeakPolarHBondContact OD2-CD 3.46Å; D297-R310 IonicContact OD2-CZ 3.18Å; D297-R310 IonicContact OD2-NE 3.65Å; D297-R310 IonicContact OD2-NH1 2.94Å; D297-R310 PolarHBondContact OD2-NH1 3.44Å; L300-R310 HydrophobicContact CB-CB 4.45Å; L300-R310 HydrophobicContact CB-CG 3.92Å; L300-R310 PolarHBondContact O-N 3.35Å; V301-R310 VanDerWaalsContact C-CG 3.48Å; V301-R310 WeakPolarHBondContact O-CG 3.43Å; V301-R310 PolarHBondContact O-NE 2.61Å; L302-R310 HydrophobicContact CD2-CG 4.02Å; L302-R310 HydrophobicContact CG-CG 4.29Å; R310-E313 WeakPolarHBondContact O-CB 3.18Å; R310-E313 PolarHBondContact O-N 3.2Å; R310-S314 PolarHBondContact O-N 3.02Å
311	M	97.7	Very high	94.9	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-44.5	178.4	-175.6	63.2	78.6	0	0	111	V293 A294 N309 E313 S314 M315 Y355 I371 F375	V293-M311 HydrophobicContact CG1-CE 4.11Å; V293-M311 HydrophobicContact CG1-SD 3.77Å; A294-M311 VanDerWaalsContact O-CE 3.31Å; A294-M311 WeakPolarHBondContact O-CE 3.17Å; N309-M311 WeakPolarHBondContact OD1-CA 3.08Å; N309-M311 WeakPolarHBondContact OD1-CB 3.35Å; N309-M311 PolarHBondContact OD1-N 2.76Å; M311-E313 PolarHBondContact O-N 2.86Å; M311-S314 WeakPolarHBondContact O-CB 3.24Å; M311-S314 PolarHBondContact O-N 3.15Å; M311-S314 VanDerWaalsContact O-N 3.11Å; M311-M315 WeakPolarHBondContact O-CG 3.32Å; M311-M315 PolarHBondContact O-N 3.49Å; M311-Y355 HydrophobicContact CG-CE2 4.34Å; M311-Y355 VanDerWaalsContact CG-OH 3.3Å; M311-Y355 WeakPolarHBondContact CG-OH 3.47Å; M311-I371 HydrophobicContact CE-CD1 4.38Å; M311-I371 HydrophobicContact CE-CG2 4.12Å; M311-I371 HydrophobicContact SD-CG2 4.31Å; M311-F375 HydrophobicContact SD-CE2 3.58Å; M311-F375 VanDerWaalsContact SD-CE2 3.58Å; M311-F375 HydrophobicContact SD-CZ 3.83Å
312	H	97.5	Very high	94.9	Very high	71 Å²	71	46.9 Å²	46.9	33%	0.329	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-29.4	172	-70.1	148.4	0	0	0	113.4	M308 N309 K316 C354	M308-H312 HydrophobicContact CE-CB 3.55Å; N309-H312 HydrophobicContact CB-CB 4.25Å; N309-H312 PolarHBondContact OD1-N 3.29Å; H312-K316 VanDerWaalsContact O-CG 3.28Å; H312-K316 WeakPolarHBondContact O-CG 3.48Å; H312-K316 PolarHBondContact O-N 2.74Å; H312-C354 PolarHBondContact CE1-O 3.39Å; H312-C354 PolarHBondContact NE2-O 3Å; H312-C354 VanDerWaalsContact NE2-O 3.15Å
313	E	96.8	Very high	95	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-49.8	172.2	-166	-71.6	129.5	0	0	110.5	A109 R276 L302 M308 N309 R310 M311 M315 K316 L317	A109-E313 WeakPolarHBondContact CB-OE2 3.4Å; R276-E313 IonicContact CZ-OE1 3.52Å; R276-E313 VanDerWaalsContact CZ-OE1 3.23Å; R276-E313 IonicContact CZ-OE2 2.63Å; R276-E313 IonicContact NH1-OE1 3.23Å; R276-E313 PolarHBondContact NH1-OE1 2.87Å; R276-E313 IonicContact NH1-OE2 3.4Å; R276-E313 VanDerWaalsContact NH2-CD 3.25Å; R276-E313 IonicContact NH2-OE1 2.79Å; R276-E313 PolarHBondContact NH2-OE1 3.09Å; R276-E313 IonicContact NH2-OE2 2.69Å; R276-E313 PolarHBondContact NH2-OE2 3.23Å; L302-E313 HydrophobicContact CD1-CB 3.9Å; L302-E313 HydrophobicContact CD1-CG 3.58Å; L302-E313 HydrophobicContact CD2-CB 4.14Å; L302-E313 HydrophobicContact CD2-CG 3.99Å; L302-E313 HydrophobicContact CG-CB 4.34Å; L302-E313 HydrophobicContact CG-CG 4.33Å; M308-E313 HydrophobicContact CE-CB 3.89Å; M308-E313 HydrophobicContact CG-CB 4.42Å; N309-E313 PolarHBondContact O-N 3.09Å; N309-E313 VanDerWaalsContact O-N 3.09Å; R310-E313 WeakPolarHBondContact O-CB 3.18Å; R310-E313 PolarHBondContact O-N 3.2Å; M311-E313 PolarHBondContact O-N 2.86Å; E313-M315 VanDerWaalsContact C-N 3.29Å; E313-M315 PolarHBondContact O-N 2.97Å; E313-K316 PolarHBondContact O-N 3.05Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 2.92Å
314	S	98.1	Very high	95.2	Very high	4 Å²	4	47 Å²	47	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-40.8	177.5	-167.5	0	0	0	0	112.1	R310 M311 L317 F318	R310-S314 PolarHBondContact O-N 3.02Å; M311-S314 WeakPolarHBondContact O-CB 3.24Å; M311-S314 PolarHBondContact O-N 3.15Å; M311-S314 VanDerWaalsContact O-N 3.11Å; S314-L317 WeakPolarHBondContact O-CB 3.32Å; S314-L317 PolarHBondContact O-N 3.01Å; S314-F318 WeakPolarHBondContact O-CB 3.02Å; S314-F318 PolarHBondContact O-N 2.86Å
315	M	98.3	Very high	95.3	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-49.1	174	-71.6	179.1	76.5	0	0	112.7	M311 E313 L317 F318 D319 Y355 Q374 F375 L378	M311-M315 WeakPolarHBondContact O-CG 3.32Å; M311-M315 PolarHBondContact O-N 3.49Å; E313-M315 VanDerWaalsContact C-N 3.29Å; E313-M315 PolarHBondContact O-N 2.97Å; M315-L317 PolarHBondContact O-N 2.63Å; M315-F318 PolarHBondContact O-N 3.49Å; M315-F318 VanDerWaalsContact O-N 3.16Å; M315-D319 PolarHBondContact O-N 3.29Å; M315-Y355 HydrophobicContact CE-CE1 4.38Å; M315-Y355 HydrophobicContact SD-CE1 3.83Å; M315-Y355 PolarHBondContact SD-OH 2.98Å; M315-Q374 HydrophobicContact CE-CB 3.88Å; M315-Q374 WeakPolarHBondContact CE-O 3.39Å; M315-F375 HydrophobicContact CB-CE1 4.47Å; M315-F375 HydrophobicContact CB-CZ 4.34Å; M315-F375 HydrophobicContact CG-CD2 4.29Å; M315-F375 HydrophobicContact CG-CE1 3.95Å; M315-F375 HydrophobicContact CG-CE2 3.67Å; M315-F375 HydrophobicContact CG-CZ 3.46Å; M315-F375 VanDerWaalsContact CG-CZ 3.46Å; M315-L378 HydrophobicContact CB-CD1 3.92Å; M315-L378 HydrophobicContact CE-CD1 4.16Å; M315-L378 HydrophobicContact CG-CD1 4.28Å; M315-L378 WeakPolarHBondContact O-CD1 3.3Å
316	K	97.3	Very high	95.2	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-59.2	-38.6	176.1	-73.8	171.5	-173	175.4	0	111.8	M308 H312 E313 S320	M308-K316 HydrophobicContact CE-CD 3.8Å; M308-K316 VanDerWaalsContact CE-NZ 3.34Å; M308-K316 PolarHBondContact SD-NZ 2.95Å; M308-K316 VanDerWaalsContact SD-NZ 3.4Å; H312-K316 VanDerWaalsContact O-CG 3.28Å; H312-K316 WeakPolarHBondContact O-CG 3.48Å; H312-K316 PolarHBondContact O-N 2.74Å; E313-K316 PolarHBondContact O-N 3.05Å; K316-S320 PolarHBondContact O-N 2.83Å
317	L	97	Very high	95.3	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-45.3	175.9	-175.2	58.5	0	0	0	111.1	A109 W279 F291 E313 S314 M315 S320 I321	A109-L317 HydrophobicContact CB-CD2 4.48Å; W279-L317 HydrophobicContact CH2-CD1 3.88Å; W279-L317 HydrophobicContact CH2-CD2 4.04Å; W279-L317 HydrophobicContact CH2-CG 4.3Å; W279-L317 HydrophobicContact CZ3-CD1 3.79Å; W279-L317 HydrophobicContact CZ3-CG 4.49Å; F291-L317 HydrophobicContact CE2-CD2 4.49Å; F291-L317 HydrophobicContact CE2-CG 4.06Å; F291-L317 HydrophobicContact CZ-CB 4.2Å; F291-L317 HydrophobicContact CZ-CD2 4.16Å; F291-L317 HydrophobicContact CZ-CG 3.93Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 2.92Å; S314-L317 WeakPolarHBondContact O-CB 3.32Å; S314-L317 PolarHBondContact O-N 3.01Å; M315-L317 PolarHBondContact O-N 2.63Å; L317-S320 PolarHBondContact O-N 3Å; L317-S320 PolarHBondContact O-OG 3.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.18Å; L317-I321 PolarHBondContact O-N 2.83Å
318	F	98.1	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-47.6	176.8	-173	-105	0	0	0	112.5	F291 S314 M315 S320 I321 C322 I332 L334 F375 L378 I387	F291-F318 HydrophobicContact CB-CD2 4.14Å; F291-F318 HydrophobicContact CB-CE2 4.12Å; F291-F318 HydrophobicContact CD1-CB 4.48Å; F291-F318 AromaticContact CD1-CD2 3.55Å; F291-F318 HydrophobicContact CD1-CD2 3.55Å; F291-F318 HydrophobicContact CD1-CE2 4.26Å; F291-F318 HydrophobicContact CD1-CG 4.44Å; F291-F318 AromaticContact CD2-CD2 3.88Å; F291-F318 HydrophobicContact CD2-CD2 3.88Å; F291-F318 HydrophobicContact CE1-CB 3.88Å; F291-F318 AromaticContact CE1-CD2 3.82Å; F291-F318 HydrophobicContact CE1-CD2 3.82Å; F291-F318 HydrophobicContact CE1-CG 4.31Å; F291-F318 HydrophobicContact CE2-CB 4.29Å; F291-F318 HydrophobicContact CE2-CD2 4.12Å; F291-F318 AromaticContact CG-CD2 3.58Å; F291-F318 HydrophobicContact CG-CD2 3.58Å; F291-F318 HydrophobicContact CG-CE2 4.09Å; F291-F318 HydrophobicContact CZ-CB 3.76Å; F291-F318 HydrophobicContact CZ-CD2 4.09Å; F291-F318 HydrophobicContact CZ-CG 4.46Å; S314-F318 WeakPolarHBondContact O-CB 3.02Å; S314-F318 PolarHBondContact O-N 2.86Å; M315-F318 PolarHBondContact O-N 3.49Å; M315-F318 VanDerWaalsContact O-N 3.16Å; F318-S320 PolarHBondContact O-N 3.29Å; F318-I321 PolarHBondContact O-N 2.89Å; F318-C322 HydrophobicContact CD1-CB 4.32Å; F318-C322 HydrophobicContact CE1-CB 4Å; F318-C322 HydrophobicContact CZ-CB 4.16Å; F318-C322 WeakPolarHBondContact O-CB 3.39Å; F318-C322 PolarHBondContact O-N 2.95Å; F318-I332 HydrophobicContact CE2-CG2 3.91Å; F318-I332 HydrophobicContact CZ-CG2 4.24Å; F318-L334 HydrophobicContact CD2-CD1 4.29Å; F318-L334 HydrophobicContact CE2-CD1 3.99Å; F318-F375 HydrophobicContact CB-CD1 3.79Å; F318-F375 HydrophobicContact CB-CE1 3.81Å; F318-F375 AromaticContact CD1-CD1 3.84Å; F318-F375 HydrophobicContact CD1-CD1 3.84Å; F318-F375 HydrophobicContact CD2-CD1 4.33Å; F318-F375 VanDerWaalsContact CE1-O 3.3Å; F318-F375 WeakPolarHBondContact CE1-O 3.34Å; F318-F375 AromaticContact CG-CD1 3.72Å; F318-F375 HydrophobicContact CG-CD1 3.72Å; F318-F375 HydrophobicContact CG-CE1 4.24Å; F318-L378 HydrophobicContact CB-CD1 4.5Å; F318-L378 HydrophobicContact CD1-CB 4.09Å; F318-L378 HydrophobicContact CD1-CD1 4.04Å; F318-L378 HydrophobicContact CE1-CB 4.49Å; F318-I387 HydrophobicContact CE1-CD1 3.89Å; F318-I387 HydrophobicContact CZ-CD1 3.66Å; F318-I387 HydrophobicContact CZ-CG1 4.32Å; F318-I387 HydrophobicContact CZ-CG2 4.45Å
319	D	97.8	Very high	94.8	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-52.4	-44.9	174.8	178.4	38.2	0	0	0	111.5	M315 I321 N323 L378 K380	M315-D319 PolarHBondContact O-N 3.29Å; D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 2.96Å; D319-N323 WeakPolarHBondContact O-CB 3.28Å; D319-N323 PolarHBondContact O-N 3.23Å; D319-N323 VanDerWaalsContact O-N 3.14Å; D319-N323 PolarHBondContact O-ND2 2.81Å; D319-N323 PolarHBondContact OD1-ND2 3.16Å; D319-L378 HydrophobicContact CB-CB 4.49Å; D319-L378 HydrophobicContact CB-CD2 4.44Å; D319-K380 VanDerWaalsContact CG-NZ 3.34Å; D319-K380 IonicContact OD1-NZ 3.61Å; D319-K380 PolarHBondContact OD1-NZ 3.27Å; D319-K380 IonicContact OD2-NZ 2.63Å; D319-K380 PolarHBondContact OD2-NZ 3.5Å
320	S	96.1	Very high	94.4	Very high	61 Å²	61	49.6 Å²	49.6	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-23.9	-179.5	80.5	0	0	0	0	114.6	K316 L317 F318 N324	K316-S320 PolarHBondContact O-N 2.83Å; L317-S320 PolarHBondContact O-N 3Å; L317-S320 PolarHBondContact O-OG 3.47Å; F318-S320 PolarHBondContact O-N 3.29Å; S320-N324 WeakPolarHBondContact O-CB 3.02Å
321	I	95.1	Very high	93.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-91.9	-51.2	178.2	-65.9	-58	0	0	0	110.6	L107 W279 F283 I289 F291 L317 F318 D319 N323 N324 F327	L107-I321 HydrophobicContact CD1-CD1 3.84Å; L107-I321 HydrophobicContact CD1-CG1 4.07Å; L107-I321 HydrophobicContact CD1-CG2 3.78Å; W279-I321 HydrophobicContact CE3-CD1 4.32Å; W279-I321 HydrophobicContact CZ3-CD1 4.14Å; W279-I321 HydrophobicContact CZ3-CG1 4.46Å; F283-I321 HydrophobicContact CZ-CD1 4.32Å; I289-I321 HydrophobicContact CD1-CG2 4.04Å; F291-I321 HydrophobicContact CD2-CG2 4.49Å; F291-I321 HydrophobicContact CE2-CB 4.5Å; F291-I321 HydrophobicContact CE2-CG1 4.25Å; L317-I321 WeakPolarHBondContact O-CG1 3.18Å; L317-I321 PolarHBondContact O-N 2.83Å; F318-I321 PolarHBondContact O-N 2.89Å; D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 2.96Å; I321-N323 VanDerWaalsContact C-N 3.27Å; I321-N323 PolarHBondContact O-N 3.25Å; I321-N324 VanDerWaalsContact O-CB 3.25Å; I321-N324 WeakPolarHBondContact O-CB 3.33Å; I321-N324 PolarHBondContact O-N 3.41Å; I321-N324 VanDerWaalsContact O-N 3.09Å; I321-F327 HydrophobicContact CD1-CE2 4.23Å; I321-F327 HydrophobicContact CG2-CD2 4Å; I321-F327 HydrophobicContact CG2-CE2 4.14Å
322	C	95.2	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-40.4	-178.4	-172.8	0	0	0	0	112.2	F318 I332 R381	F318-C322 HydrophobicContact CD1-CB 4.32Å; F318-C322 HydrophobicContact CE1-CB 4Å; F318-C322 HydrophobicContact CZ-CB 4.16Å; F318-C322 WeakPolarHBondContact O-CB 3.39Å; F318-C322 PolarHBondContact O-N 2.95Å; C322-I332 HydrophobicContact CB-CD1 4.09Å; C322-R381 PolarHBondContact O-NH2 2.94Å; C322-R381 VanDerWaalsContact O-NH2 3.1Å
323	N	95	Very high	93.6	Very high	39 Å²	39	46.7 Å²	46.7	21%	0.209	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.5	-179.4	-57.7	-55.7	0	0	0	113.4	D319 I321 L378 K380	D319-N323 WeakPolarHBondContact O-CB 3.28Å; D319-N323 PolarHBondContact O-N 3.23Å; D319-N323 VanDerWaalsContact O-N 3.14Å; D319-N323 PolarHBondContact O-ND2 2.81Å; D319-N323 PolarHBondContact OD1-ND2 3.16Å; I321-N323 VanDerWaalsContact C-N 3.27Å; I321-N323 PolarHBondContact O-N 3.25Å; N323-L378 PolarHBondContact ND2-O 2.89Å; N323-K380 HydrophobicContact CB-CD 4.39Å; N323-K380 WeakPolarHBondContact OD1-CB 3.35Å; N323-K380 PolarHBondContact OD1-N 2.9Å; N323-K380 VanDerWaalsContact OD1-N 3.09Å
324	N	92.6	Very high	93.6	Very high	44 Å²	44	46.2 Å²	46.2	24%	0.235	23%	0.228	C	C	.	.			trans	-69.3	147.9	173.3	-153.8	-49.2	0	0	0	110.9	S320 I321 W326 F327 R381	S320-N324 WeakPolarHBondContact O-CB 3.02Å; I321-N324 VanDerWaalsContact O-CB 3.25Å; I321-N324 WeakPolarHBondContact O-CB 3.33Å; I321-N324 PolarHBondContact O-N 3.41Å; I321-N324 VanDerWaalsContact O-N 3.09Å; N324-W326 PolarHBondContact OD1-N 2.99Å; N324-F327 HydrophobicContact CB-CB 4.49Å; N324-F327 HydrophobicContact CB-CD2 3.91Å; N324-F327 PolarHBondContact O-N 2.95Å; N324-R381 PolarHBondContact O-NH2 3.48Å
325	K	91.4	Very high	93.6	Very high	184 Å²	184	46.3 Å²	46.3	80%	0.8	23%	0.228	S	C	*	.	S	Bend	trans	-71.1	-35.6	175.3	-65.9	-170.3	176.7	-170.2	0	112.3	F327 T328	K325-F327 PolarHBondContact O-N 2.89Å; K325-T328 PolarHBondContact O-N 3.18Å; K325-T328 PolarHBondContact O-OG1 2.94Å
326	W	89.9	Confident	93.6	Very high	171 Å²	171	45.2 Å²	45.2	65%	0.648	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.8	176.1	-70.8	96.8	0	0	0	113.2	F283 N324	F283-W326 HydrophobicContact CD2-CB 4.29Å; F283-W326 HydrophobicContact CD2-CG 4.42Å; N324-W326 PolarHBondContact OD1-N 2.99Å
327	F	90.3	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	39.7	-177.3	-54.6	-44.8	0	0	0	111.3	L105 L107 F283 I289 I321 N324 K325 T330 K385	L105-F327 HydrophobicContact CD2-CZ 4.13Å; L107-F327 HydrophobicContact CD1-CE2 4.41Å; F283-F327 HydrophobicContact CB-CE1 4.13Å; F283-F327 HydrophobicContact CB-CZ 4.11Å; F283-F327 HydrophobicContact CD1-CE1 4.26Å; F283-F327 HydrophobicContact CD1-CE2 4.34Å; F283-F327 AromaticContact CD1-CZ 3.48Å; F283-F327 HydrophobicContact CD1-CZ 3.48Å; F283-F327 VanDerWaalsContact CD1-CZ 3.48Å; F283-F327 HydrophobicContact CD2-CE1 4.09Å; F283-F327 AromaticContact CD2-CE2 3.87Å; F283-F327 HydrophobicContact CD2-CE2 3.87Å; F283-F327 AromaticContact CD2-CZ 3.43Å; F283-F327 HydrophobicContact CD2-CZ 3.43Å; F283-F327 VanDerWaalsContact CD2-CZ 3.43Å; F283-F327 HydrophobicContact CE1-CE2 4.04Å; F283-F327 AromaticContact CE1-CZ 3.58Å; F283-F327 HydrophobicContact CE1-CZ 3.58Å; F283-F327 AromaticContact CE2-CE2 3.55Å; F283-F327 HydrophobicContact CE2-CE2 3.55Å; F283-F327 AromaticContact CE2-CZ 3.55Å; F283-F327 HydrophobicContact CE2-CZ 3.55Å; F283-F327 AromaticContact CG-CE1 3.92Å; F283-F327 HydrophobicContact CG-CE1 3.92Å; F283-F327 HydrophobicContact CG-CE2 4.27Å; F283-F327 AromaticContact CG-CZ 3.4Å; F283-F327 HydrophobicContact CG-CZ 3.4Å; F283-F327 AromaticContact CZ-CE2 3.64Å; F283-F327 HydrophobicContact CZ-CE2 3.64Å; F283-F327 AromaticContact CZ-CZ 3.62Å; F283-F327 HydrophobicContact CZ-CZ 3.62Å; I289-F327 HydrophobicContact CD1-CB 4.12Å; I289-F327 HydrophobicContact CD1-CD1 3.67Å; I289-F327 HydrophobicContact CD1-CD2 3.53Å; I289-F327 HydrophobicContact CD1-CE1 3.79Å; I289-F327 HydrophobicContact CD1-CE2 3.65Å; I289-F327 HydrophobicContact CD1-CG 3.51Å; I289-F327 HydrophobicContact CD1-CZ 3.74Å; I321-F327 HydrophobicContact CD1-CE2 4.23Å; I321-F327 HydrophobicContact CG2-CD2 4Å; I321-F327 HydrophobicContact CG2-CE2 4.14Å; N324-F327 HydrophobicContact CB-CB 4.49Å; N324-F327 HydrophobicContact CB-CD2 3.91Å; N324-F327 PolarHBondContact O-N 2.95Å; K325-F327 PolarHBondContact O-N 2.89Å; F327-T330 HydrophobicContact CD1-CG2 4.39Å; F327-K385 PolarHBondContact O-NZ 3.22Å
328	T	88.6	Confident	93.7	Very high	44 Å²	44	39.2 Å²	39.2	27%	0.27	20%	0.196	S	C	.	.	S	Bend	trans	-65.2	-51.1	178.6	-63.8	0	0	0	0	110.5	K325 R381	K325-T328 PolarHBondContact O-N 3.18Å; K325-T328 PolarHBondContact O-OG1 2.94Å; T328-R381 PolarHBondContact OG1-NH1 2.93Å
329	D	84	Confident	93.7	Very high	151 Å²	151	41.9 Å²	41.9	81%	0.807	21%	0.208	S	C	*	.	S	Bend	trans	-101.6	-7.2	-174.6	-41.3	-71.2	0	0	0	112.4	S331	D329-S331 PolarHBondContact O-N 2.94Å
330	T	88.5	Confident	93.6	Very high	20 Å²	20	42 Å²	42	12%	0.123	21%	0.208	C	C	.	.			trans	-69.8	122.9	177.4	-46	0	0	0	0	111.5	V286 I289 F327 K385	V286-T330 HydrophobicContact CG1-CG2 4.07Å; I289-T330 HydrophobicContact CD1-CG2 4.21Å; I289-T330 HydrophobicContact CG1-CG2 4.03Å; F327-T330 HydrophobicContact CD1-CG2 4.39Å; T330-K385 WeakPolarHBondContact O-CE 3.17Å; T330-K385 PolarHBondContact O-NZ 3.29Å
331	S	87.6	Confident	93.6	Very high	27 Å²	27	41.9 Å²	41.9	19%	0.189	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	139.3	173.7	-71.8	0	0	0	0	111.7	A288 I289 D329	A288-S331 WeakPolarHBondContact CA-O 3.5Å; I289-S331 PolarHBondContact N-O 2.96Å; D329-S331 PolarHBondContact O-N 2.94Å
332	I	93.1	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.1	176.2	-65	-174.9	0	0	0	109.8	I289 F318 C322 K385 I387 Y388	I289-I332 HydrophobicContact CB-CG1 4.28Å; I289-I332 HydrophobicContact CD1-CG1 4.42Å; F318-I332 HydrophobicContact CE2-CG2 3.91Å; F318-I332 HydrophobicContact CZ-CG2 4.24Å; C322-I332 HydrophobicContact CB-CD1 4.09Å; I332-K385 VanDerWaalsContact CD1-NZ 3.26Å; I332-I387 WeakPolarHBondContact O-CA 3.23Å; I332-Y388 PolarHBondContact O-N 3.32Å
333	I	95.3	Very high	93.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.2	166.9	-60.1	105.4	0	0	0	107.7	A288 I289 I290 F291 F335 Y388 V407 I411	A288-I333 HydrophobicContact CB-CD1 3.82Å; I289-I333 PolarHBondContact O-N 3.04Å; I290-I333 HydrophobicContact CG1-CB 4.32Å; I290-I333 HydrophobicContact CG1-CD1 4.28Å; F291-I333 PolarHBondContact N-O 3.17Å; I333-F335 HydrophobicContact CG2-CD1 3.66Å; I333-F335 HydrophobicContact CG2-CE1 3.34Å; I333-F335 HydrophobicContact CG2-CZ 4.2Å; I333-Y388 CarbonylContact C-O 3.47Å; I333-Y388 WeakPolarHBondContact CA-O 3.25Å; I333-Y388 HydrophobicContact CG1-CD2 4.47Å; I333-Y388 WeakPolarHBondContact CG2-O 3.3Å; I333-V407 HydrophobicContact CD1-CG1 3.75Å; I333-V407 HydrophobicContact CG1-CG1 3.8Å; I333-V407 HydrophobicContact CG1-CG2 4.15Å; I333-V407 HydrophobicContact CG2-CG1 4.44Å; I333-V407 HydrophobicContact CG2-CG2 3.59Å; I333-I411 HydrophobicContact CD1-CD1 3.88Å; I333-I411 HydrophobicContact CD1-CG1 4.19Å
334	L	97.3	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112	179.4	178.8	64.7	0	0	0	109.6	F291 V293 F318 L336 F375 I387 Y388 T389 H390	F291-L334 HydrophobicContact CB-CD1 4.45Å; F291-L334 HydrophobicContact CD1-CD1 4.01Å; V293-L334 HydrophobicContact CG2-CD1 3.66Å; F318-L334 HydrophobicContact CD2-CD1 4.29Å; F318-L334 HydrophobicContact CE2-CD1 3.99Å; L334-L336 HydrophobicContact CD1-CD2 4.4Å; L334-L336 HydrophobicContact CD2-CD2 4.13Å; L334-L336 HydrophobicContact CG-CD2 4.08Å; L334-L336 HydrophobicContact CG-CG 4.35Å; L334-F375 HydrophobicContact CD1-CD1 4.28Å; L334-F375 HydrophobicContact CD2-CB 3.54Å; L334-F375 HydrophobicContact CD2-CG 4.19Å; L334-I387 HydrophobicContact CB-CG2 3.6Å; L334-I387 HydrophobicContact CD2-CG2 4.29Å; L334-Y388 PolarHBondContact N-O 2.69Å; L334-T389 HydrophobicContact CB-CG2 4.38Å; L334-T389 HydrophobicContact CD2-CG2 4.05Å; L334-T389 HydrophobicContact CG-CG2 4.27Å; L334-T389 CarbonylContact O-C 3.44Å; L334-T389 WeakPolarHBondContact O-CA 3.48Å; L334-H390 PolarHBondContact O-N 3.2Å
335	F	98.2	Very high	94	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108	174.4	-76.7	-1.3	0	0	0	110.4	I117 I290 F291 V293 I333 N337 H390 T392 V403 V407	I117-F335 HydrophobicContact CD1-CD2 3.69Å; I117-F335 HydrophobicContact CD1-CE2 4.16Å; I117-F335 HydrophobicContact CG2-CE2 4.47Å; I290-F335 HydrophobicContact CG2-CD1 4.41Å; I290-F335 HydrophobicContact CG2-CD2 3.43Å; I290-F335 VanDerWaalsContact CG2-CD2 3.43Å; I290-F335 HydrophobicContact CG2-CE1 4.45Å; I290-F335 HydrophobicContact CG2-CE2 3.49Å; I290-F335 VanDerWaalsContact CG2-CE2 3.49Å; I290-F335 HydrophobicContact CG2-CG 3.93Å; I290-F335 HydrophobicContact CG2-CZ 4.01Å; F291-F335 PolarHBondContact O-N 2.66Å; V293-F335 PolarHBondContact N-O 3.44Å; I333-F335 HydrophobicContact CG2-CD1 3.66Å; I333-F335 HydrophobicContact CG2-CE1 3.34Å; I333-F335 HydrophobicContact CG2-CZ 4.2Å; F335-N337 PolarHBondContact O-N 2.9Å; F335-H390 HydrophobicContact CD1-CB 4.11Å; F335-H390 HydrophobicContact CE1-CB 4.24Å; F335-T392 HydrophobicContact CB-CG2 4.29Å; F335-T392 HydrophobicContact CD1-CG2 3.99Å; F335-T392 HydrophobicContact CD2-CG2 4.24Å; F335-T392 HydrophobicContact CE1-CG2 4.36Å; F335-T392 HydrophobicContact CG-CG2 3.93Å; F335-V403 HydrophobicContact CD1-CG1 4.18Å; F335-V403 HydrophobicContact CE1-CG1 3.32Å; F335-V403 HydrophobicContact CZ-CG1 3.58Å; F335-V407 HydrophobicContact CE1-CG2 4.01Å; F335-V407 HydrophobicContact CZ-CG2 4.32Å
336	L	98.4	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	82.8	170.1	-61.5	-178	0	0	0	108.1	V293 L295 L334 Q372 T389 H390 F391 T392	V293-L336 HydrophobicContact CB-CD2 3.92Å; V293-L336 HydrophobicContact CG1-CD2 4.21Å; V293-L336 HydrophobicContact CG2-CD2 4.15Å; L295-L336 HydrophobicContact CD1-CB 4.01Å; L295-L336 HydrophobicContact CD2-CB 4.01Å; L295-L336 HydrophobicContact CD2-CD2 4.28Å; L295-L336 HydrophobicContact CG-CB 3.98Å; L334-L336 HydrophobicContact CD1-CD2 4.4Å; L334-L336 HydrophobicContact CD2-CD2 4.13Å; L334-L336 HydrophobicContact CG-CD2 4.08Å; L334-L336 HydrophobicContact CG-CG 4.35Å; L336-Q372 HydrophobicContact CD1-CB 3.69Å; L336-Q372 HydrophobicContact CD1-CG 4.37Å; L336-T389 HydrophobicContact CD1-CG2 3.54Å; L336-T389 HydrophobicContact CG-CG2 3.87Å; L336-H390 PolarHBondContact N-O 2.93Å; L336-F391 HydrophobicContact CB-CD1 3.77Å; L336-F391 HydrophobicContact CB-CE1 3.95Å; L336-F391 HydrophobicContact CD1-CD1 4.07Å; L336-F391 HydrophobicContact CD1-CE1 3.42Å; L336-F391 VanDerWaalsContact CD1-CE1 3.42Å; L336-F391 HydrophobicContact CD1-CZ 3.73Å; L336-F391 HydrophobicContact CG-CE1 4.33Å; L336-T392 PolarHBondContact O-N 2.9Å
337	N	98.3	Very high	94.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	167.6	-169	-170.6	26.3	0	0	0	112.8	S112 V293 L295 F335 K339 T392 A394	S112-N337 PolarHBondContact O-ND2 3.09Å; V293-N337 WeakPolarHBondContact O-CA 3.31Å; V293-N337 VanDerWaalsContact O-CB 3.29Å; V293-N337 WeakPolarHBondContact O-CB 3.5Å; V293-N337 PolarHBondContact O-N 3.16Å; L295-N337 WeakPolarHBondContact CB-O 3.46Å; L295-N337 PolarHBondContact N-O 3.03Å; F335-N337 PolarHBondContact O-N 2.9Å; N337-K339 VanDerWaalsContact C-N 3.29Å; N337-T392 CarbonylContact C-O 3.57Å; N337-T392 VanDerWaalsContact CA-O 3.29Å; N337-T392 WeakPolarHBondContact CA-O 3.35Å; N337-T392 WeakPolarHBondContact CA-OG1 3.47Å; N337-T392 VanDerWaalsContact CB-OG1 3.3Å; N337-T392 WeakPolarHBondContact CB-OG1 3.38Å; N337-T392 PolarHBondContact OD1-O 2.99Å; N337-T392 PolarHBondContact OD1-OG1 2.85Å; N337-A394 WeakPolarHBondContact OD1-CB 3.35Å; N337-A394 PolarHBondContact OD1-N 3.29Å
338	K	97.7	Very high	94.7	Very high	15 Å²	15	45 Å²	45	7%	0.065	22%	0.22	C	C	.	.			trans	60.6	36	-176	-49.1	178.3	-172.2	178.8	0	112.4	E111 D218 A294 S296 D297 D340 L341 F342 T392	E111-K338 WeakPolarHBondContact O-CE 3.33Å; E111-K338 PolarHBondContact O-NZ 3.22Å; E111-K338 VanDerWaalsContact O-NZ 3.11Å; D218-K338 WeakPolarHBondContact OD2-CE 3.44Å; D218-K338 IonicContact OD2-NZ 2.65Å; D218-K338 PolarHBondContact OD2-NZ 3.25Å; A294-K338 HydrophobicContact CB-CD 3.75Å; A294-K338 HydrophobicContact CB-CG 4.45Å; S296-K338 WeakPolarHBondContact OG-CD 3.43Å; D297-K338 IonicContact OD1-NZ 2.89Å; D297-K338 PolarHBondContact OD1-NZ 3.3Å; D297-K338 VanDerWaalsContact OD1-NZ 3.08Å; K338-D340 VanDerWaalsContact C-OD1 3.28Å; K338-D340 WeakPolarHBondContact CA-OD1 3.27Å; K338-D340 PolarHBondContact O-N 2.72Å; K338-L341 HydrophobicContact CB-CB 4.31Å; K338-L341 HydrophobicContact CB-CD1 4.29Å; K338-L341 HydrophobicContact CB-CG 4.48Å; K338-L341 HydrophobicContact CD-CD1 4.25Å; K338-L341 PolarHBondContact O-N 3.38Å; K338-L341 VanDerWaalsContact O-N 3.14Å; K338-F342 PolarHBondContact O-N 2.86Å; K338-T392 PolarHBondContact N-O 3.08Å; K338-T392 VanDerWaalsContact N-O 3.11Å
339	K	97.3	Very high	94.9	Very high	57 Å²	57	43.1 Å²	43.1	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-33.5	179.4	73.6	-179	-176.6	179.1	0	112.7	L295 N337 F342 E343 Y364 F391 T392 C393 N399	L295-K339 HydrophobicContact CD1-CB 4.13Å; N337-K339 VanDerWaalsContact C-N 3.29Å; K339-F342 PolarHBondContact O-N 2.69Å; K339-E343 WeakPolarHBondContact O-CB 3.39Å; K339-E343 PolarHBondContact O-N 2.63Å; K339-Y364 HydrophobicContact CB-CE2 4.15Å; K339-F391 HydrophobicContact CD-CB 4.1Å; K339-T392 WeakPolarHBondContact CG-O 3.08Å; K339-T392 PolarHBondContact N-O 2.73Å; K339-C393 HydrophobicContact CG-CB 4.32Å; K339-N399 PolarHBondContact NZ-ND2 2.88Å
340	D	96.3	Very high	95.5	Very high	50 Å²	50	38.3 Å²	38.3	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-46.5	174.7	57.4	-50.7	0	0	0	112.2	K338 E344 C393	K338-D340 VanDerWaalsContact C-OD1 3.28Å; K338-D340 WeakPolarHBondContact CA-OD1 3.27Å; K338-D340 PolarHBondContact O-N 2.72Å; D340-E344 PolarHBondContact O-N 2.91Å; D340-C393 PolarHBondContact OD1-SG 3.45Å
341	L	96.5	Very high	95.9	Very high	59 Å²	59	37.4 Å²	37.4	31%	0.309	18%	0.18	S	C	.	.	H	α-helix	trans	-72.1	-33	176.7	-58.9	-178.3	0	0	0	111.7	D218 K338 K345	D218-L341 HydrophobicContact CB-CD1 3.75Å; K338-L341 HydrophobicContact CB-CB 4.31Å; K338-L341 HydrophobicContact CB-CD1 4.29Å; K338-L341 HydrophobicContact CB-CG 4.48Å; K338-L341 HydrophobicContact CD-CD1 4.25Å; K338-L341 PolarHBondContact O-N 3.38Å; K338-L341 VanDerWaalsContact O-N 3.14Å; L341-K345 WeakPolarHBondContact O-CB 3.22Å; L341-K345 PolarHBondContact O-N 3.46Å
342	F	98	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-45.5	175.8	179	-107.7	0	0	0	112.2	L295 Y298 K338 K339 E344 K345 I346 Y364 A367 A368 I371	L295-F342 HydrophobicContact CB-CB 3.63Å; L295-F342 HydrophobicContact CB-CD1 4.35Å; L295-F342 HydrophobicContact CB-CD2 4.01Å; L295-F342 HydrophobicContact CB-CG 3.74Å; L295-F342 HydrophobicContact CD1-CB 4.5Å; L295-F342 HydrophobicContact CD1-CD1 4.34Å; L295-F342 HydrophobicContact CD1-CG 4.49Å; L295-F342 WeakPolarHBondContact O-CD2 3.37Å; Y298-F342 AromaticContact CD1-CD2 3.77Å; Y298-F342 HydrophobicContact CD1-CD2 3.77Å; Y298-F342 AromaticContact CD1-CE2 3.7Å; Y298-F342 HydrophobicContact CD1-CE2 3.7Å; Y298-F342 AromaticContact CE1-CD2 3.66Å; Y298-F342 HydrophobicContact CE1-CD2 3.66Å; Y298-F342 AromaticContact CE1-CE2 3.67Å; Y298-F342 HydrophobicContact CE1-CE2 3.67Å; Y298-F342 HydrophobicContact CG-CE2 4.48Å; K338-F342 PolarHBondContact O-N 2.86Å; K339-F342 PolarHBondContact O-N 2.69Å; F342-E344 VanDerWaalsContact C-N 3.31Å; F342-E344 PolarHBondContact O-N 3.44Å; F342-K345 PolarHBondContact O-N 3.02Å; F342-I346 HydrophobicContact CE2-CB 4.48Å; F342-I346 HydrophobicContact CE2-CD1 4.34Å; F342-I346 HydrophobicContact CZ-CB 4.36Å; F342-I346 HydrophobicContact CZ-CD1 4.21Å; F342-I346 HydrophobicContact CZ-CG1 4.31Å; F342-I346 WeakPolarHBondContact O-CG2 3.22Å; F342-I346 PolarHBondContact O-N 3.36Å; F342-Y364 AromaticContact CD1-CD2 3.71Å; F342-Y364 HydrophobicContact CD1-CD2 3.71Å; F342-Y364 AromaticContact CD1-CE2 3.9Å; F342-Y364 HydrophobicContact CD1-CE2 3.9Å; F342-Y364 HydrophobicContact CE1-CD2 4.13Å; F342-A367 HydrophobicContact CE1-CB 4.16Å; F342-A367 HydrophobicContact CZ-CB 3.73Å; F342-A368 HydrophobicContact CE1-CB 4.02Å; F342-I371 HydrophobicContact CE2-CD1 3.72Å; F342-I371 HydrophobicContact CZ-CD1 3.7Å
343	E	97	Very high	96.5	Very high	84 Å²	84	42.5 Å²	42.5	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-56.5	-42.1	177.7	-168.5	-170.7	151.1	0	0	112.2	K339 K347 Y364	K339-E343 WeakPolarHBondContact O-CB 3.39Å; K339-E343 PolarHBondContact O-N 2.63Å; E343-K347 VanDerWaalsContact O-CD 3.3Å; E343-K347 WeakPolarHBondContact O-CD 3.37Å; E343-K347 WeakPolarHBondContact O-CE 3.46Å; E343-K347 WeakPolarHBondContact O-CG 3.46Å; E343-K347 IonicContact OE1-NZ 2.82Å; E343-Y364 HydrophobicContact CB-CD2 3.74Å; E343-Y364 HydrophobicContact CB-CE2 4.32Å; E343-Y364 HydrophobicContact CB-CG 4.33Å; E343-Y364 HydrophobicContact CG-CD2 4.01Å; E343-Y364 HydrophobicContact CG-CG 4.09Å
344	E	95	Very high	96.5	Very high	97 Å²	97	42.4 Å²	42.4	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-74.1	-25.5	176.2	-74.4	-56.4	111.7	0	0	114.2	D340 F342 K347	D340-E344 PolarHBondContact O-N 2.91Å; F342-E344 VanDerWaalsContact C-N 3.31Å; F342-E344 PolarHBondContact O-N 3.44Å; E344-K347 IonicContact OE1-NZ 3.35Å; E344-K347 PolarHBondContact OE1-NZ 2.79Å
345	K	95.8	Very high	96.5	Very high	46 Å²	46	42.6 Å²	42.6	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-87.6	-39.1	-174.6	-160.9	-179.5	-151.4	-175.9	0	113	S296 Y298 D299 L341 F342 K347 K348 S349	S296-K345 WeakPolarHBondContact O-CD 3.37Å; S296-K345 PolarHBondContact O-NZ 2.89Å; Y298-K345 HydrophobicContact CE1-CB 4.37Å; Y298-K345 HydrophobicContact CE1-CD 3.83Å; Y298-K345 HydrophobicContact CE1-CG 4.16Å; Y298-K345 PolarHBondContact OH-O 2.83Å; D299-K345 WeakPolarHBondContact OD1-CE 3.26Å; D299-K345 IonicContact OD1-NZ 2.89Å; D299-K345 PolarHBondContact OD1-NZ 3.08Å; D299-K345 IonicContact OD2-NZ 2.73Å; L341-K345 WeakPolarHBondContact O-CB 3.22Å; L341-K345 PolarHBondContact O-N 3.46Å; F342-K345 PolarHBondContact O-N 3.02Å; K345-K347 PolarHBondContact O-N 3.4Å; K345-K348 PolarHBondContact O-N 2.99Å; K345-S349 PolarHBondContact O-N 3.12Å
346	I	97.1	Very high	96.5	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-29.7	-179.3	-165.7	63.8	0	0	0	112.2	Y298 F342 K348 L351 N362 A367	Y298-I346 WeakPolarHBondContact OH-CA 3.12Å; Y298-I346 PolarHBondContact OH-N 3.42Å; F342-I346 HydrophobicContact CE2-CB 4.48Å; F342-I346 HydrophobicContact CE2-CD1 4.34Å; F342-I346 HydrophobicContact CZ-CB 4.36Å; F342-I346 HydrophobicContact CZ-CD1 4.21Å; F342-I346 HydrophobicContact CZ-CG1 4.31Å; F342-I346 WeakPolarHBondContact O-CG2 3.22Å; F342-I346 PolarHBondContact O-N 3.36Å; I346-K348 PolarHBondContact O-N 3.4Å; I346-K348 VanDerWaalsContact O-N 3.15Å; I346-L351 HydrophobicContact CD1-CB 3.93Å; I346-N362 HydrophobicContact CD1-CB 4.34Å; I346-N362 HydrophobicContact CG1-CB 4.15Å; I346-A367 HydrophobicContact CD1-CB 3.96Å; I346-A367 HydrophobicContact CG1-CB 3.99Å
347	K	94.7	Very high	96.3	Very high	123 Å²	123	52.8 Å²	52.8	54%	0.535	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.6	172	-63.2	166.8	-170.7	168.1	0	113.9	E343 E344 K345	E343-K347 VanDerWaalsContact O-CD 3.3Å; E343-K347 WeakPolarHBondContact O-CD 3.37Å; E343-K347 WeakPolarHBondContact O-CE 3.46Å; E343-K347 WeakPolarHBondContact O-CG 3.46Å; E343-K347 IonicContact OE1-NZ 2.82Å; E344-K347 IonicContact OE1-NZ 3.35Å; E344-K347 PolarHBondContact OE1-NZ 2.79Å; K345-K347 PolarHBondContact O-N 3.4Å
348	K	93.3	Very high	96.3	Very high	155 Å²	155	53.3 Å²	53.3	67%	0.674	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-26.9	-171.5	-60	173.9	-173.3	168.6	0	114	K345 I346	K345-K348 PolarHBondContact O-N 2.99Å; I346-K348 PolarHBondContact O-N 3.4Å; I346-K348 VanDerWaalsContact O-N 3.15Å
349	S	94.8	Very high	96.2	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.035	30%	0.303	C	S	.	.	S	Bend	trans	-132.4	114.6	-172.1	-174.2	0	0	0	0	108.3	R212 Y298 D299 K345 I353	R212-S349 PolarHBondContact NH1-OG 3.01Å; Y298-S349 WeakPolarHBondContact CE2-O 3.34Å; Y298-S349 WeakPolarHBondContact OH-CB 3.35Å; Y298-S349 PolarHBondContact OH-O 3.49Å; D299-S349 WeakPolarHBondContact OD2-CB 3.33Å; D299-S349 PolarHBondContact OD2-OG 2.89Å; K345-S349 PolarHBondContact O-N 3.12Å; S349-I353 VanDerWaalsContact OG-CD1 3.32Å; S349-I353 WeakPolarHBondContact OG-CD1 3.45Å
350	P	96	Very high	96	Very high	50 Å²	50	55.9 Å²	55.9	33%	0.325	30%	0.303	S	S	.	.			trans	-72.5	147.6	-171.2	29.7	-36.2	0	0	0	112.1	T352 I353 N362	P350-T352 PolarHBondContact O-N 3.36Å; P350-T352 VanDerWaalsContact O-N 3.12Å; P350-I353 HydrophobicContact CG-CD1 4.17Å; P350-I353 HydrophobicContact CG-CG1 4.36Å; P350-I353 PolarHBondContact O-N 3.44Å; P350-N362 WeakPolarHBondContact CA-OD1 3.38Å
351	L	97.5	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23.4	-179.8	-174.6	59.8	0	0	0	112.8	Y298 I346 I353 C354 Y355 Y358 N362 A367 Y370 I371	Y298-L351 HydrophobicContact CD2-CD1 4.01Å; Y298-L351 HydrophobicContact CG-CD1 4.15Å; I346-L351 HydrophobicContact CD1-CB 3.93Å; L351-I353 PolarHBondContact O-N 3.3Å; L351-C354 PolarHBondContact O-N 2.9Å; L351-Y355 HydrophobicContact CD1-CD2 3.67Å; L351-Y355 HydrophobicContact CD1-CE2 4.01Å; L351-Y355 HydrophobicContact CD2-CD2 4.27Å; L351-Y355 HydrophobicContact CG-CD2 3.82Å; L351-Y355 PolarHBondContact O-N 2.95Å; L351-Y355 VanDerWaalsContact O-N 3.07Å; L351-Y358 HydrophobicContact CB-CD1 3.86Å; L351-Y358 HydrophobicContact CB-CE1 4.07Å; L351-Y358 HydrophobicContact CB-CG 4.41Å; L351-Y358 HydrophobicContact CD2-CD1 3.98Å; L351-Y358 HydrophobicContact CD2-CD2 3.88Å; L351-Y358 HydrophobicContact CD2-CE1 4.02Å; L351-Y358 HydrophobicContact CD2-CE2 3.94Å; L351-Y358 HydrophobicContact CD2-CG 3.89Å; L351-Y358 HydrophobicContact CG-CD1 4.24Å; L351-Y358 HydrophobicContact CG-CG 4.31Å; L351-N362 PolarHBondContact N-OD1 3.19Å; L351-N362 VanDerWaalsContact N-OD1 3.09Å; L351-A367 HydrophobicContact CD2-CB 3.93Å; L351-Y370 HydrophobicContact CD2-CD1 3.94Å; L351-Y370 HydrophobicContact CD2-CG 4.48Å; L351-I371 HydrophobicContact CD1-CD1 3.95Å; L351-I371 HydrophobicContact CD1-CG1 4.2Å; L351-I371 HydrophobicContact CD2-CG1 4.41Å
352	T	97	Very high	95.8	Very high	58 Å²	58	56.5 Å²	56.5	36%	0.356	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.4	-12.1	178.8	54.6	0	0	0	0	115.2	P350 C354 Y355 Y358	P350-T352 PolarHBondContact O-N 3.36Å; P350-T352 VanDerWaalsContact O-N 3.12Å; T352-C354 VanDerWaalsContact C-N 3.32Å; T352-Y355 WeakPolarHBondContact CA-O 3.26Å; T352-Y358 HydrophobicContact CG2-CD1 4.42Å; T352-Y358 WeakPolarHBondContact CG2-O 3.47Å
353	I	95.2	Very high	95.7	Very high	76 Å²	76	59.5 Å²	59.5	39%	0.39	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.8	-36.1	169	-68.1	161	0	0	0	111.4	D299 S349 P350 L351	D299-I353 HydrophobicContact CB-CB 4.42Å; D299-I353 HydrophobicContact CB-CD1 4.21Å; D299-I353 HydrophobicContact CB-CG2 3.91Å; S349-I353 VanDerWaalsContact OG-CD1 3.32Å; S349-I353 WeakPolarHBondContact OG-CD1 3.45Å; P350-I353 HydrophobicContact CG-CD1 4.17Å; P350-I353 HydrophobicContact CG-CG1 4.36Å; P350-I353 PolarHBondContact O-N 3.44Å; L351-I353 PolarHBondContact O-N 3.3Å
354	C	96.3	Very high	95.6	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-44.4	174.5	-166.3	0	0	0	0	111.3	Y298 H312 L351 T352 P356	Y298-C354 VanDerWaalsContact O-CB 3.31Å; Y298-C354 WeakPolarHBondContact O-CB 3.26Å; H312-C354 PolarHBondContact CE1-O 3.39Å; H312-C354 PolarHBondContact NE2-O 3Å; H312-C354 VanDerWaalsContact NE2-O 3.15Å; L351-C354 PolarHBondContact O-N 2.9Å; T352-C354 VanDerWaalsContact C-N 3.32Å; C354-P356 WeakPolarHBondContact O-CD 3.24Å
355	Y	96.9	Very high	95.7	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.012	33%	0.325	C	S	.	.			trans	-123	81.6	-170	-60.4	-76.1	0	0	0	110.1	M311 M315 L351 T352 E357 Y358 Y370 I371 Q374	M311-Y355 HydrophobicContact CG-CE2 4.34Å; M311-Y355 VanDerWaalsContact CG-OH 3.3Å; M311-Y355 WeakPolarHBondContact CG-OH 3.47Å; M315-Y355 HydrophobicContact CE-CE1 4.38Å; M315-Y355 HydrophobicContact SD-CE1 3.83Å; M315-Y355 PolarHBondContact SD-OH 2.98Å; L351-Y355 HydrophobicContact CD1-CD2 3.67Å; L351-Y355 HydrophobicContact CD1-CE2 4.01Å; L351-Y355 HydrophobicContact CD2-CD2 4.27Å; L351-Y355 HydrophobicContact CG-CD2 3.82Å; L351-Y355 PolarHBondContact O-N 2.95Å; L351-Y355 VanDerWaalsContact O-N 3.07Å; T352-Y355 WeakPolarHBondContact CA-O 3.26Å; Y355-E357 WeakPolarHBondContact CB-OE1 3.38Å; Y355-E357 WeakPolarHBondContact CD1-OE1 3.5Å; Y355-E357 PolarHBondContact O-N 3.07Å; Y355-Y358 WeakPolarHBondContact O-CB 3.43Å; Y355-Y358 PolarHBondContact O-N 3.21Å; Y355-Y370 AromaticContact CD1-CE1 3.9Å; Y355-Y370 HydrophobicContact CD1-CE1 3.9Å; Y355-Y370 HydrophobicContact CD2-CD1 4.36Å; Y355-Y370 HydrophobicContact CD2-CE1 4.06Å; Y355-Y370 HydrophobicContact CE1-CE1 4.45Å; Y355-Y370 HydrophobicContact CG-CD1 4.42Å; Y355-Y370 AromaticContact CG-CE1 3.68Å; Y355-Y370 HydrophobicContact CG-CE1 3.68Å; Y355-I371 HydrophobicContact CE2-CG1 4.1Å; Y355-Q374 HydrophobicContact CD1-CG 4.39Å; Y355-Q374 HydrophobicContact CE1-CB 4.37Å; Y355-Q374 HydrophobicContact CE1-CG 3.89Å
356	P	96.8	Very high	95.8	Very high	105 Å²	105	61 Å²	61	68%	0.682	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.2	-176.4	-26.7	35.8	0	0	0	114.6	C354	C354-P356 WeakPolarHBondContact O-CD 3.24Å
357	E	96.1	Very high	95.8	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.2	175.5	74	-66.6	159.1	0	0	114.8	Y355 A359 Y370	Y355-E357 WeakPolarHBondContact CB-OE1 3.38Å; Y355-E357 WeakPolarHBondContact CD1-OE1 3.5Å; Y355-E357 PolarHBondContact O-N 3.07Å; E357-A359 PolarHBondContact O-N 3.45Å; E357-Y370 PolarHBondContact OE1-OH 3.46Å
358	Y	97.4	Very high	96	Very high	15 Å²	15	55 Å²	55	6%	0.059	31%	0.309	C	S	.	.			trans	-66.2	112.8	178	-179.5	-107.9	0	0	0	111.4	L351 T352 Y355 G360 S361 E366 A367 Y370	L351-Y358 HydrophobicContact CB-CD1 3.86Å; L351-Y358 HydrophobicContact CB-CE1 4.07Å; L351-Y358 HydrophobicContact CB-CG 4.41Å; L351-Y358 HydrophobicContact CD2-CD1 3.98Å; L351-Y358 HydrophobicContact CD2-CD2 3.88Å; L351-Y358 HydrophobicContact CD2-CE1 4.02Å; L351-Y358 HydrophobicContact CD2-CE2 3.94Å; L351-Y358 HydrophobicContact CD2-CG 3.89Å; L351-Y358 HydrophobicContact CG-CD1 4.24Å; L351-Y358 HydrophobicContact CG-CG 4.31Å; T352-Y358 HydrophobicContact CG2-CD1 4.42Å; T352-Y358 WeakPolarHBondContact CG2-O 3.47Å; Y355-Y358 WeakPolarHBondContact O-CB 3.43Å; Y355-Y358 PolarHBondContact O-N 3.21Å; Y358-G360 VanDerWaalsContact CE1-C 3.45Å; Y358-G360 WeakPolarHBondContact CE1-O 3.17Å; Y358-G360 VanDerWaalsContact CZ-CA 3.49Å; Y358-S361 WeakPolarHBondContact CE1-O 3.29Å; Y358-S361 PolarHBondContact OH-O 3.49Å; Y358-E366 WeakPolarHBondContact OH-CG 3.3Å; Y358-A367 PolarHBondContact OH-N 2.86Å; Y358-Y370 AromaticContact CD2-CD1 3.72Å; Y358-Y370 HydrophobicContact CD2-CD1 3.72Å; Y358-Y370 AromaticContact CD2-CD2 3.55Å; Y358-Y370 HydrophobicContact CD2-CD2 3.55Å; Y358-Y370 HydrophobicContact CD2-CE1 4.02Å; Y358-Y370 AromaticContact CD2-CE2 3.86Å; Y358-Y370 HydrophobicContact CD2-CE2 3.86Å; Y358-Y370 AromaticContact CD2-CG 3.47Å; Y358-Y370 HydrophobicContact CD2-CG 3.47Å; Y358-Y370 VanDerWaalsContact CD2-CG 3.47Å; Y358-Y370 HydrophobicContact CE2-CD1 4.22Å; Y358-Y370 AromaticContact CE2-CD2 3.84Å; Y358-Y370 HydrophobicContact CE2-CD2 3.84Å; Y358-Y370 AromaticContact CE2-CG 3.63Å; Y358-Y370 HydrophobicContact CE2-CG 3.63Å
359	A	94.9	Very high	96.2	Very high	104 Å²	104	49.8 Å²	49.8	86%	0.86	29%	0.294	S	S	*	.			trans	-101.3	0.3	-179.3	0	0	0	0	0	114.1	E357	E357-A359 PolarHBondContact O-N 3.45Å
360	G	93.8	Very high	96.4	Very high	23 Å²	23	52 Å²	52	24%	0.237	30%	0.302	C	S	.	.	S	Bend	trans	-79.4	176.6	-179.2	0	0	0	0	0	114	Y358 E366	Y358-G360 VanDerWaalsContact CE1-C 3.45Å; Y358-G360 WeakPolarHBondContact CE1-O 3.17Å; Y358-G360 VanDerWaalsContact CZ-CA 3.49Å; G360-E366 WeakPolarHBondContact CA-OE1 3.4Å
361	S	94.5	Very high	96.5	Very high	49 Å²	49	49.7 Å²	49.7	34%	0.343	29%	0.287	S	S	.	.			trans	-73.2	154.9	174.8	74	0	0	0	0	112.1	Y358 T363 E366	Y358-S361 WeakPolarHBondContact CE1-O 3.29Å; Y358-S361 PolarHBondContact OH-O 3.49Å; S361-T363 PolarHBondContact O-N 3.35Å; S361-T363 WeakPolarHBondContact OG-CG2 3.38Å; S361-T363 PolarHBondContact OG-N 2.96Å; S361-T363 PolarHBondContact OG-OG1 3.24Å; S361-E366 WeakPolarHBondContact CA-OE2 3.48Å; S361-E366 WeakPolarHBondContact CB-OE2 3.06Å; S361-E366 VanDerWaalsContact N-CD 3.29Å; S361-E366 PolarHBondContact N-OE1 2.74Å; S361-E366 PolarHBondContact N-OE2 3.43Å; S361-E366 PolarHBondContact OG-OE2 2.86Å
362	N	93.1	Very high	96.5	Very high	73 Å²	73	51.9 Å²	51.9	39%	0.39	30%	0.297	S	S	.	.	S	Bend	trans	-82.1	38.8	170.6	-64.7	-60.2	0	0	0	111.7	I346 P350 L351	I346-N362 HydrophobicContact CD1-CB 4.34Å; I346-N362 HydrophobicContact CG1-CB 4.15Å; P350-N362 WeakPolarHBondContact CA-OD1 3.38Å; L351-N362 PolarHBondContact N-OD1 3.19Å; L351-N362 VanDerWaalsContact N-OD1 3.09Å
363	T	96	Very high	96.5	Very high	62 Å²	62	52 Å²	52	38%	0.38	30%	0.299	S	S	.	.			trans	-81.3	157.9	168.6	56.2	0	0	0	0	110	S361 E366 A367	S361-T363 PolarHBondContact O-N 3.35Å; S361-T363 WeakPolarHBondContact OG-CG2 3.38Å; S361-T363 PolarHBondContact OG-N 2.96Å; S361-T363 PolarHBondContact OG-OG1 3.24Å; T363-E366 WeakPolarHBondContact OG1-CB 3.47Å; T363-A367 WeakPolarHBondContact O-CB 3.45Å; T363-A367 PolarHBondContact O-N 3.3Å
364	Y	96.7	Very high	96.7	Very high	44 Å²	44	50.4 Å²	50.4	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-46.9	178.5	165.3	-97.1	0	0	0	110.8	K339 F342 E343 A368	K339-Y364 HydrophobicContact CB-CE2 4.15Å; F342-Y364 AromaticContact CD1-CD2 3.71Å; F342-Y364 HydrophobicContact CD1-CD2 3.71Å; F342-Y364 AromaticContact CD1-CE2 3.9Å; F342-Y364 HydrophobicContact CD1-CE2 3.9Å; F342-Y364 HydrophobicContact CE1-CD2 4.13Å; E343-Y364 HydrophobicContact CB-CD2 3.74Å; E343-Y364 HydrophobicContact CB-CE2 4.32Å; E343-Y364 HydrophobicContact CB-CG 4.33Å; E343-Y364 HydrophobicContact CG-CD2 4.01Å; E343-Y364 HydrophobicContact CG-CG 4.09Å; Y364-A368 HydrophobicContact CE2-CB 4.32Å; Y364-A368 WeakPolarHBondContact O-CB 3.5Å; Y364-A368 PolarHBondContact O-N 2.81Å
365	E	96.5	Very high	96.8	Very high	129 Å²	129	50.4 Å²	50.4	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-63.1	-51.2	-172.2	-64.3	70.8	-159.1	0	0	111.8	A369	E365-A369 VanDerWaalsContact O-CB 3.26Å; E365-A369 WeakPolarHBondContact O-CB 3.48Å; E365-A369 PolarHBondContact O-N 3.31Å
366	E	96.9	Very high	96.7	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-71.1	-42.4	-177	-162.5	-178.6	172.2	0	0	111.6	Y358 G360 S361 T363 A369 Y370	Y358-E366 WeakPolarHBondContact OH-CG 3.3Å; G360-E366 WeakPolarHBondContact CA-OE1 3.4Å; S361-E366 WeakPolarHBondContact CA-OE2 3.48Å; S361-E366 WeakPolarHBondContact CB-OE2 3.06Å; S361-E366 VanDerWaalsContact N-CD 3.29Å; S361-E366 PolarHBondContact N-OE1 2.74Å; S361-E366 PolarHBondContact N-OE2 3.43Å; S361-E366 PolarHBondContact OG-OE2 2.86Å; T363-E366 WeakPolarHBondContact OG1-CB 3.47Å; E366-A369 PolarHBondContact O-N 3.44Å; E366-Y370 WeakPolarHBondContact O-CB 3.33Å; E366-Y370 PolarHBondContact O-N 3.28Å
367	A	98.1	Very high	96.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-37.6	179.6	0	0	0	0	0	112.1	F342 I346 L351 Y358 T363 I371	F342-A367 HydrophobicContact CE1-CB 4.16Å; F342-A367 HydrophobicContact CZ-CB 3.73Å; I346-A367 HydrophobicContact CD1-CB 3.96Å; I346-A367 HydrophobicContact CG1-CB 3.99Å; L351-A367 HydrophobicContact CD2-CB 3.93Å; Y358-A367 PolarHBondContact OH-N 2.86Å; T363-A367 WeakPolarHBondContact O-CB 3.45Å; T363-A367 PolarHBondContact O-N 3.3Å; A367-I371 WeakPolarHBondContact O-CG1 3.47Å; A367-I371 PolarHBondContact O-N 2.95Å; A367-I371 VanDerWaalsContact O-N 3.1Å
368	A	98.1	Very high	96.8	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-42.3	175.1	0	0	0	0	0	111.8	F342 Y364 I371 Q372 F391	F342-A368 HydrophobicContact CE1-CB 4.02Å; Y364-A368 HydrophobicContact CE2-CB 4.32Å; Y364-A368 WeakPolarHBondContact O-CB 3.5Å; Y364-A368 PolarHBondContact O-N 2.81Å; A368-I371 PolarHBondContact O-N 3.49Å; A368-Q372 PolarHBondContact O-N 2.99Å; A368-F391 HydrophobicContact CB-CD1 4.44Å; A368-F391 HydrophobicContact CB-CE1 3.68Å; A368-F391 HydrophobicContact CB-CZ 4.07Å
369	A	97.9	Very high	96.7	Very high	44 Å²	44	48.4 Å²	48.4	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-40.3	174.4	0	0	0	0	0	111.9	E365 E366 Q372 C373	E365-A369 VanDerWaalsContact O-CB 3.26Å; E365-A369 WeakPolarHBondContact O-CB 3.48Å; E365-A369 PolarHBondContact O-N 3.31Å; E366-A369 PolarHBondContact O-N 3.44Å; A369-Q372 WeakPolarHBondContact O-CB 3.39Å; A369-Q372 PolarHBondContact O-N 3.19Å; A369-C373 PolarHBondContact O-N 3.28Å; A369-C373 PolarHBondContact O-SG 3.45Å; A369-C373 VanDerWaalsContact O-SG 3.36Å
370	Y	98.3	Very high	96.7	Very high	53 Å²	53	50.2 Å²	50.2	21%	0.208	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-48.7	174.6	-173.9	-93.8	0	0	0	111.8	L351 Y355 E357 Y358 E366 Q372 C373 Q374	L351-Y370 HydrophobicContact CD2-CD1 3.94Å; L351-Y370 HydrophobicContact CD2-CG 4.48Å; Y355-Y370 AromaticContact CD1-CE1 3.9Å; Y355-Y370 HydrophobicContact CD1-CE1 3.9Å; Y355-Y370 HydrophobicContact CD2-CD1 4.36Å; Y355-Y370 HydrophobicContact CD2-CE1 4.06Å; Y355-Y370 HydrophobicContact CE1-CE1 4.45Å; Y355-Y370 HydrophobicContact CG-CD1 4.42Å; Y355-Y370 AromaticContact CG-CE1 3.68Å; Y355-Y370 HydrophobicContact CG-CE1 3.68Å; E357-Y370 PolarHBondContact OE1-OH 3.46Å; Y358-Y370 AromaticContact CD2-CD1 3.72Å; Y358-Y370 HydrophobicContact CD2-CD1 3.72Å; Y358-Y370 AromaticContact CD2-CD2 3.55Å; Y358-Y370 HydrophobicContact CD2-CD2 3.55Å; Y358-Y370 HydrophobicContact CD2-CE1 4.02Å; Y358-Y370 AromaticContact CD2-CE2 3.86Å; Y358-Y370 HydrophobicContact CD2-CE2 3.86Å; Y358-Y370 AromaticContact CD2-CG 3.47Å; Y358-Y370 HydrophobicContact CD2-CG 3.47Å; Y358-Y370 VanDerWaalsContact CD2-CG 3.47Å; Y358-Y370 HydrophobicContact CE2-CD1 4.22Å; Y358-Y370 AromaticContact CE2-CD2 3.84Å; Y358-Y370 HydrophobicContact CE2-CD2 3.84Å; Y358-Y370 AromaticContact CE2-CG 3.63Å; Y358-Y370 HydrophobicContact CE2-CG 3.63Å; E366-Y370 WeakPolarHBondContact O-CB 3.33Å; E366-Y370 PolarHBondContact O-N 3.28Å; Y370-Q372 VanDerWaalsContact C-N 3.29Å; Y370-Q372 PolarHBondContact O-N 3.45Å; Y370-C373 PolarHBondContact O-N 3.36Å; Y370-Q374 HydrophobicContact CD1-CG 3.8Å; Y370-Q374 HydrophobicContact CE1-CG 3.51Å; Y370-Q374 VanDerWaalsContact O-CG 3.32Å; Y370-Q374 WeakPolarHBondContact O-CG 3.25Å; Y370-Q374 PolarHBondContact O-N 2.91Å
371	I	98.4	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-41.1	176.7	-64.5	164.7	0	0	0	110.6	L295 M311 F342 L351 Y355 A367 A368 Q374 F375	L295-I371 HydrophobicContact CD2-CB 4.14Å; L295-I371 HydrophobicContact CD2-CD1 3.96Å; L295-I371 HydrophobicContact CD2-CG2 3.69Å; M311-I371 HydrophobicContact CE-CD1 4.38Å; M311-I371 HydrophobicContact CE-CG2 4.12Å; M311-I371 HydrophobicContact SD-CG2 4.31Å; F342-I371 HydrophobicContact CE2-CD1 3.72Å; F342-I371 HydrophobicContact CZ-CD1 3.7Å; L351-I371 HydrophobicContact CD1-CD1 3.95Å; L351-I371 HydrophobicContact CD1-CG1 4.2Å; L351-I371 HydrophobicContact CD2-CG1 4.41Å; Y355-I371 HydrophobicContact CE2-CG1 4.1Å; A367-I371 WeakPolarHBondContact O-CG1 3.47Å; A367-I371 PolarHBondContact O-N 2.95Å; A367-I371 VanDerWaalsContact O-N 3.1Å; A368-I371 PolarHBondContact O-N 3.49Å; I371-Q374 PolarHBondContact O-N 2.8Å; I371-F375 HydrophobicContact CG2-CD2 4.08Å; I371-F375 HydrophobicContact CG2-CE2 4.04Å; I371-F375 WeakPolarHBondContact O-CD2 3.49Å; I371-F375 PolarHBondContact O-N 3.46Å
372	Q	98.3	Very high	96.1	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-54	173.7	168.6	169.4	4	0	0	111.8	L336 A368 A369 Y370 Q374 F375 E376 T389 F391	L336-Q372 HydrophobicContact CD1-CB 3.69Å; L336-Q372 HydrophobicContact CD1-CG 4.37Å; A368-Q372 PolarHBondContact O-N 2.99Å; A369-Q372 WeakPolarHBondContact O-CB 3.39Å; A369-Q372 PolarHBondContact O-N 3.19Å; Y370-Q372 VanDerWaalsContact C-N 3.29Å; Y370-Q372 PolarHBondContact O-N 3.45Å; Q372-Q374 VanDerWaalsContact C-N 3.29Å; Q372-Q374 PolarHBondContact O-N 3.39Å; Q372-F375 PolarHBondContact O-N 2.82Å; Q372-F375 VanDerWaalsContact O-N 3.08Å; Q372-E376 HydrophobicContact CG-CG 4.37Å; Q372-E376 VanDerWaalsContact CG-OE1 3.25Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.27Å; Q372-E376 PolarHBondContact NE2-OE1 3.16Å; Q372-E376 PolarHBondContact O-N 3.23Å; Q372-T389 HydrophobicContact CG-CG2 3.92Å; Q372-F391 HydrophobicContact CB-CZ 4.11Å
373	C	97.3	Very high	95.7	Very high	59 Å²	59	59 Å²	59	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-41.6	178.3	-64.5	0	0	0	0	111.9	A369 Y370 F375 E376 D377	A369-C373 PolarHBondContact O-N 3.28Å; A369-C373 PolarHBondContact O-SG 3.45Å; A369-C373 VanDerWaalsContact O-SG 3.36Å; Y370-C373 PolarHBondContact O-N 3.36Å; C373-F375 PolarHBondContact O-N 3Å; C373-E376 PolarHBondContact O-N 3.09Å; C373-D377 VanDerWaalsContact O-CB 3.31Å; C373-D377 WeakPolarHBondContact O-CB 3.45Å; C373-D377 VanDerWaalsContact O-CG 3.3Å; C373-D377 PolarHBondContact O-N 3.21Å
374	Q	98	Very high	95.2	Very high	44 Å²	44	61.7 Å²	61.7	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-30.9	177	-71.1	-59.2	-70.6	0	0	113.7	M315 Y355 Y370 I371 Q372 L378	M315-Q374 HydrophobicContact CE-CB 3.88Å; M315-Q374 WeakPolarHBondContact CE-O 3.39Å; Y355-Q374 HydrophobicContact CD1-CG 4.39Å; Y355-Q374 HydrophobicContact CE1-CB 4.37Å; Y355-Q374 HydrophobicContact CE1-CG 3.89Å; Y370-Q374 HydrophobicContact CD1-CG 3.8Å; Y370-Q374 HydrophobicContact CE1-CG 3.51Å; Y370-Q374 VanDerWaalsContact O-CG 3.32Å; Y370-Q374 WeakPolarHBondContact O-CG 3.25Å; Y370-Q374 PolarHBondContact O-N 2.91Å; I371-Q374 PolarHBondContact O-N 2.8Å; Q372-Q374 VanDerWaalsContact C-N 3.29Å; Q372-Q374 PolarHBondContact O-N 3.39Å; Q374-L378 WeakPolarHBondContact O-CG 3.26Å
375	F	98.2	Very high	94.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-83	-42.1	172.9	-83.7	-94.6	0	0	0	112.7	F291 V293 M311 M315 F318 L334 I371 Q372 C373 D377 L378	F291-F375 HydrophobicContact CE1-CE1 4.46Å; V293-F375 HydrophobicContact CB-CZ 4.31Å; V293-F375 HydrophobicContact CG1-CE1 4.4Å; V293-F375 HydrophobicContact CG1-CE2 3.84Å; V293-F375 HydrophobicContact CG1-CZ 3.65Å; V293-F375 HydrophobicContact CG2-CD1 3.98Å; V293-F375 HydrophobicContact CG2-CE1 3.48Å; V293-F375 VanDerWaalsContact CG2-CE1 3.48Å; V293-F375 HydrophobicContact CG2-CE2 4.19Å; V293-F375 HydrophobicContact CG2-CZ 3.61Å; M311-F375 HydrophobicContact SD-CE2 3.58Å; M311-F375 VanDerWaalsContact SD-CE2 3.58Å; M311-F375 HydrophobicContact SD-CZ 3.83Å; M315-F375 HydrophobicContact CB-CE1 4.47Å; M315-F375 HydrophobicContact CB-CZ 4.34Å; M315-F375 HydrophobicContact CG-CD2 4.29Å; M315-F375 HydrophobicContact CG-CE1 3.95Å; M315-F375 HydrophobicContact CG-CE2 3.67Å; M315-F375 HydrophobicContact CG-CZ 3.46Å; M315-F375 VanDerWaalsContact CG-CZ 3.46Å; F318-F375 HydrophobicContact CB-CD1 3.79Å; F318-F375 HydrophobicContact CB-CE1 3.81Å; F318-F375 AromaticContact CD1-CD1 3.84Å; F318-F375 HydrophobicContact CD1-CD1 3.84Å; F318-F375 HydrophobicContact CD2-CD1 4.33Å; F318-F375 VanDerWaalsContact CE1-O 3.3Å; F318-F375 WeakPolarHBondContact CE1-O 3.34Å; F318-F375 AromaticContact CG-CD1 3.72Å; F318-F375 HydrophobicContact CG-CD1 3.72Å; F318-F375 HydrophobicContact CG-CE1 4.24Å; L334-F375 HydrophobicContact CD1-CD1 4.28Å; L334-F375 HydrophobicContact CD2-CB 3.54Å; L334-F375 HydrophobicContact CD2-CG 4.19Å; I371-F375 HydrophobicContact CG2-CD2 4.08Å; I371-F375 HydrophobicContact CG2-CE2 4.04Å; I371-F375 WeakPolarHBondContact O-CD2 3.49Å; I371-F375 PolarHBondContact O-N 3.46Å; Q372-F375 PolarHBondContact O-N 2.82Å; Q372-F375 VanDerWaalsContact O-N 3.08Å; C373-F375 PolarHBondContact O-N 3Å; F375-D377 VanDerWaalsContact C-N 3.29Å; F375-D377 PolarHBondContact O-N 3.05Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.24Å; F375-L378 VanDerWaalsContact O-N 3.13Å
376	E	96.6	Very high	94.1	Very high	51 Å²	51	59.9 Å²	59.9	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-32.5	-180	-70.9	172.9	178.7	0	0	112.3	Q372 C373 L378 N379 K382 T389	Q372-E376 HydrophobicContact CG-CG 4.37Å; Q372-E376 VanDerWaalsContact CG-OE1 3.25Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.27Å; Q372-E376 PolarHBondContact NE2-OE1 3.16Å; Q372-E376 PolarHBondContact O-N 3.23Å; C373-E376 PolarHBondContact O-N 3.09Å; E376-L378 VanDerWaalsContact C-N 3.25Å; E376-L378 PolarHBondContact O-N 3.37Å; E376-N379 VanDerWaalsContact O-CB 3.32Å; E376-N379 WeakPolarHBondContact O-CB 3.37Å; E376-N379 PolarHBondContact O-N 3.46Å; E376-K382 VanDerWaalsContact O-CE 3.27Å; E376-K382 WeakPolarHBondContact O-CE 3.34Å; E376-T389 WeakPolarHBondContact OE1-CB 3.19Å; E376-T389 PolarHBondContact OE1-OG1 2.87Å
377	D	96.6	Very high	93.8	Very high	95 Å²	95	56.7 Å²	56.7	51%	0.508	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.4	174.4	-75.3	-22.9	0	0	0	114.3	C373 F375 N379 K382	C373-D377 VanDerWaalsContact O-CB 3.31Å; C373-D377 WeakPolarHBondContact O-CB 3.45Å; C373-D377 VanDerWaalsContact O-CG 3.3Å; C373-D377 PolarHBondContact O-N 3.21Å; F375-D377 VanDerWaalsContact C-N 3.29Å; F375-D377 PolarHBondContact O-N 3.05Å; D377-N379 PolarHBondContact O-N 2.92Å; D377-K382 IonicContact OD1-NZ 3.72Å; D377-K382 PolarHBondContact OD1-NZ 3.43Å
378	L	97.1	Very high	93.6	Very high	39 Å²	39	58.5 Å²	58.5	20%	0.204	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.3	173.4	-61.5	170.7	0	0	0	112.5	M315 F318 D319 N323 Q374 F375 E376 K380	M315-L378 HydrophobicContact CB-CD1 3.92Å; M315-L378 HydrophobicContact CE-CD1 4.16Å; M315-L378 HydrophobicContact CG-CD1 4.28Å; M315-L378 WeakPolarHBondContact O-CD1 3.3Å; F318-L378 HydrophobicContact CB-CD1 4.5Å; F318-L378 HydrophobicContact CD1-CB 4.09Å; F318-L378 HydrophobicContact CD1-CD1 4.04Å; F318-L378 HydrophobicContact CE1-CB 4.49Å; D319-L378 HydrophobicContact CB-CB 4.49Å; D319-L378 HydrophobicContact CB-CD2 4.44Å; N323-L378 PolarHBondContact ND2-O 2.89Å; Q374-L378 WeakPolarHBondContact O-CG 3.26Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.24Å; F375-L378 VanDerWaalsContact O-N 3.13Å; E376-L378 VanDerWaalsContact C-N 3.25Å; E376-L378 PolarHBondContact O-N 3.37Å; L378-K380 PolarHBondContact O-N 3.1Å
379	N	95.9	Very high	93.4	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.059	30%	0.302	C	S	.	.			trans	-74.6	111.5	176	-174.7	4.5	0	0	0	111.3	E376 D377 R381 K382 K385 I387	E376-N379 VanDerWaalsContact O-CB 3.32Å; E376-N379 WeakPolarHBondContact O-CB 3.37Å; E376-N379 PolarHBondContact O-N 3.46Å; D377-N379 PolarHBondContact O-N 2.92Å; N379-R381 PolarHBondContact O-N 3.14Å; N379-R381 PolarHBondContact OD1-N 2.91Å; N379-K382 HydrophobicContact CB-CG 4.22Å; N379-K382 WeakPolarHBondContact O-CG 3.3Å; N379-K385 PolarHBondContact ND2-O 3.27Å; N379-I387 HydrophobicContact CB-CD1 3.64Å
380	K	94.1	Very high	93.4	Very high	142 Å²	142	59.6 Å²	59.6	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	4.7	179.7	-62.7	163.8	-175.8	140.5	0	113	D319 N323 L378	D319-K380 VanDerWaalsContact CG-NZ 3.34Å; D319-K380 IonicContact OD1-NZ 3.61Å; D319-K380 PolarHBondContact OD1-NZ 3.27Å; D319-K380 IonicContact OD2-NZ 2.63Å; D319-K380 PolarHBondContact OD2-NZ 3.5Å; N323-K380 HydrophobicContact CB-CD 4.39Å; N323-K380 WeakPolarHBondContact OD1-CB 3.35Å; N323-K380 PolarHBondContact OD1-N 2.9Å; N323-K380 VanDerWaalsContact OD1-N 3.09Å; L378-K380 PolarHBondContact O-N 3.1Å
381	R	90.1	Very high	93.3	Very high	58 Å²	58	59.7 Å²	59.7	22%	0.219	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	39.8	-175.9	-68.1	-177.4	-76.4	-160.4	1.4	111.7	C322 N324 T328 N379 D383 T384 K385	C322-R381 PolarHBondContact O-NH2 2.94Å; C322-R381 VanDerWaalsContact O-NH2 3.1Å; N324-R381 PolarHBondContact O-NH2 3.48Å; T328-R381 PolarHBondContact OG1-NH1 2.93Å; N379-R381 PolarHBondContact O-N 3.14Å; N379-R381 PolarHBondContact OD1-N 2.91Å; R381-D383 PolarHBondContact O-N 2.9Å; R381-D383 VanDerWaalsContact O-N 3.11Å; R381-T384 PolarHBondContact O-N 3.41Å; R381-K385 HydrophobicContact CB-CB 4.29Å; R381-K385 WeakPolarHBondContact O-CB 3.23Å; R381-K385 PolarHBondContact O-N 3.42Å
382	K	85.9	Confident	93.2	Very high	108 Å²	108	59.8 Å²	59.8	47%	0.47	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.8	-176.9	-63.7	-165.2	175.7	-169.2	0	113.5	E376 D377 N379 T384	E376-K382 VanDerWaalsContact O-CE 3.27Å; E376-K382 WeakPolarHBondContact O-CE 3.34Å; D377-K382 IonicContact OD1-NZ 3.72Å; D377-K382 PolarHBondContact OD1-NZ 3.43Å; N379-K382 HydrophobicContact CB-CG 4.22Å; N379-K382 WeakPolarHBondContact O-CG 3.3Å; K382-T384 VanDerWaalsContact C-N 3.33Å; K382-T384 PolarHBondContact O-N 2.92Å
383	D	84.8	Confident	93.2	Very high	165 Å²	165	58 Å²	58	88%	0.882	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.8	-177.4	-46.2	-49.7	0	0	0	114.2	R381	R381-D383 PolarHBondContact O-N 2.9Å; R381-D383 VanDerWaalsContact O-N 3.11Å
384	T	84.6	Confident	93.1	Very high	118 Å²	118	55.4 Å²	55.4	72%	0.724	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-8.5	-175	72.3	0	0	0	0	113.5	R381 K382	R381-T384 PolarHBondContact O-N 3.41Å; K382-T384 VanDerWaalsContact C-N 3.33Å; K382-T384 PolarHBondContact O-N 2.92Å
385	K	85.8	Confident	92.9	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.052	27%	0.27	C	S	.	.			trans	-141.4	107.1	-175.5	-177.4	171.3	-174.1	165.7	0	109.8	F327 T330 I332 N379 R381	F327-K385 PolarHBondContact O-NZ 3.22Å; T330-K385 WeakPolarHBondContact O-CE 3.17Å; T330-K385 PolarHBondContact O-NZ 3.29Å; I332-K385 VanDerWaalsContact CD1-NZ 3.26Å; N379-K385 PolarHBondContact ND2-O 3.27Å; R381-K385 HydrophobicContact CB-CB 4.29Å; R381-K385 WeakPolarHBondContact O-CB 3.23Å; R381-K385 PolarHBondContact O-N 3.42Å
386	E	84.3	Confident	92.8	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	29%	0.287	S	S	*	.			trans	-78.4	148.9	173.1	-163.2	169.2	-164.7	0	0	110.8	Y388	E386-Y388 HydrophobicContact CB-CE1 4.28Å; E386-Y388 HydrophobicContact CB-CE2 4.38Å; E386-Y388 HydrophobicContact CG-CD1 4.3Å; E386-Y388 HydrophobicContact CG-CE1 3.71Å; E386-Y388 WeakPolarHBondContact OE2-CE1 3.24Å; E386-Y388 PolarHBondContact OE2-OH 3.22Å
387	I	91.9	Very high	92.7	Very high	20 Å²	20	57.3 Å²	57.3	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.6	169.6	-67.2	163.3	0	0	0	107.2	F318 I332 L334 N379 T389	F318-I387 HydrophobicContact CE1-CD1 3.89Å; F318-I387 HydrophobicContact CZ-CD1 3.66Å; F318-I387 HydrophobicContact CZ-CG1 4.32Å; F318-I387 HydrophobicContact CZ-CG2 4.45Å; I332-I387 WeakPolarHBondContact O-CA 3.23Å; L334-I387 HydrophobicContact CB-CG2 3.6Å; L334-I387 HydrophobicContact CD2-CG2 4.29Å; N379-I387 HydrophobicContact CB-CD1 3.64Å; I387-T389 PolarHBondContact O-N 3Å
388	Y	92.9	Very high	92.6	Very high	38 Å²	38	60.9 Å²	60.9	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	95.7	179.1	-58	-70.6	0	0	0	109.8	I332 I333 L334 E386 V410 N414	I332-Y388 PolarHBondContact O-N 3.32Å; I333-Y388 CarbonylContact C-O 3.47Å; I333-Y388 WeakPolarHBondContact CA-O 3.25Å; I333-Y388 HydrophobicContact CG1-CD2 4.47Å; I333-Y388 WeakPolarHBondContact CG2-O 3.3Å; L334-Y388 PolarHBondContact N-O 2.69Å; E386-Y388 HydrophobicContact CB-CE1 4.28Å; E386-Y388 HydrophobicContact CB-CE2 4.38Å; E386-Y388 HydrophobicContact CG-CD1 4.3Å; E386-Y388 HydrophobicContact CG-CE1 3.71Å; E386-Y388 WeakPolarHBondContact OE2-CE1 3.24Å; E386-Y388 PolarHBondContact OE2-OH 3.22Å; Y388-V410 HydrophobicContact CD1-CG1 3.95Å; Y388-V410 HydrophobicContact CD2-CG1 3.73Å; Y388-V410 HydrophobicContact CE1-CG1 3.66Å; Y388-V410 HydrophobicContact CE2-CG1 3.4Å; Y388-V410 VanDerWaalsContact CE2-CG1 3.4Å; Y388-V410 HydrophobicContact CG-CG1 3.99Å; Y388-N414 PolarHBondContact OH-ND2 3.46Å
389	T	95.7	Very high	92.4	Very high	25 Å²	25	60.1 Å²	60.1	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.4	-176.4	-54.4	0	0	0	0	112.4	L334 L336 Q372 E376 I387	L334-T389 HydrophobicContact CB-CG2 4.38Å; L334-T389 HydrophobicContact CD2-CG2 4.05Å; L334-T389 HydrophobicContact CG-CG2 4.27Å; L334-T389 CarbonylContact O-C 3.44Å; L334-T389 WeakPolarHBondContact O-CA 3.48Å; L336-T389 HydrophobicContact CD1-CG2 3.54Å; L336-T389 HydrophobicContact CG-CG2 3.87Å; Q372-T389 HydrophobicContact CG-CG2 3.92Å; E376-T389 WeakPolarHBondContact OE1-CB 3.19Å; E376-T389 PolarHBondContact OE1-OG1 2.87Å; I387-T389 PolarHBondContact O-N 3Å
390	H	96.3	Very high	92.3	Very high	43 Å²	43	59.9 Å²	59.9	20%	0.199	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.5	175.4	-64.4	-88.9	0	0	0	112.1	L334 F335 L336 T392 V403	L334-H390 PolarHBondContact O-N 3.2Å; F335-H390 HydrophobicContact CD1-CB 4.11Å; F335-H390 HydrophobicContact CE1-CB 4.24Å; L336-H390 PolarHBondContact N-O 2.93Å; H390-T392 HydrophobicContact CB-CG2 4.34Å; H390-V403 HydrophobicContact CB-CG1 3.64Å; H390-V403 HydrophobicContact CB-CG2 4.22Å
391	F	97.1	Very high	92.2	Very high	56 Å²	56	57.1 Å²	57.1	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.2	172.3	-68.6	-77.3	0	0	0	111.2	L295 L336 K339 A368 Q372	L295-F391 HydrophobicContact CD1-CD1 3.91Å; L295-F391 HydrophobicContact CD1-CE1 4.18Å; L336-F391 HydrophobicContact CB-CD1 3.77Å; L336-F391 HydrophobicContact CB-CE1 3.95Å; L336-F391 HydrophobicContact CD1-CD1 4.07Å; L336-F391 HydrophobicContact CD1-CE1 3.42Å; L336-F391 VanDerWaalsContact CD1-CE1 3.42Å; L336-F391 HydrophobicContact CD1-CZ 3.73Å; L336-F391 HydrophobicContact CG-CE1 4.33Å; K339-F391 HydrophobicContact CD-CB 4.1Å; A368-F391 HydrophobicContact CB-CD1 4.44Å; A368-F391 HydrophobicContact CB-CE1 3.68Å; A368-F391 HydrophobicContact CB-CZ 4.07Å; Q372-F391 HydrophobicContact CB-CZ 4.11Å
392	T	97.1	Very high	92.2	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.012	30%	0.304	C	S	.	.			trans	-116.6	150.6	-171.6	58.9	0	0	0	0	113.8	F335 L336 N337 K338 K339 H390 N399 V403	F335-T392 HydrophobicContact CB-CG2 4.29Å; F335-T392 HydrophobicContact CD1-CG2 3.99Å; F335-T392 HydrophobicContact CD2-CG2 4.24Å; F335-T392 HydrophobicContact CE1-CG2 4.36Å; F335-T392 HydrophobicContact CG-CG2 3.93Å; L336-T392 PolarHBondContact O-N 2.9Å; N337-T392 CarbonylContact C-O 3.57Å; N337-T392 VanDerWaalsContact CA-O 3.29Å; N337-T392 WeakPolarHBondContact CA-O 3.35Å; N337-T392 WeakPolarHBondContact CA-OG1 3.47Å; N337-T392 VanDerWaalsContact CB-OG1 3.3Å; N337-T392 WeakPolarHBondContact CB-OG1 3.38Å; N337-T392 PolarHBondContact OD1-O 2.99Å; N337-T392 PolarHBondContact OD1-OG1 2.85Å; K338-T392 PolarHBondContact N-O 3.08Å; K338-T392 VanDerWaalsContact N-O 3.11Å; K339-T392 WeakPolarHBondContact CG-O 3.08Å; K339-T392 PolarHBondContact N-O 2.73Å; H390-T392 HydrophobicContact CB-CG2 4.34Å; T392-N399 VanDerWaalsContact CA-OD1 3.24Å; T392-N399 WeakPolarHBondContact CA-OD1 3.37Å; T392-V403 HydrophobicContact CG2-CB 4.37Å; T392-V403 HydrophobicContact CG2-CG1 3.93Å; T392-V403 HydrophobicContact CG2-CG2 4.18Å
393	C	96.7	Very high	92.3	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.061	28%	0.283	C	S	.	.			trans	-121.6	99.3	158.6	177	0	0	0	0	106.6	K339 D340 T395 D396 N399	K339-C393 HydrophobicContact CG-CB 4.32Å; D340-C393 PolarHBondContact OD1-SG 3.45Å; C393-T395 PolarHBondContact O-N 3.07Å; C393-T395 PolarHBondContact SG-OG1 2.93Å; C393-D396 HydrophobicContact CB-CB 4.13Å; C393-D396 PolarHBondContact O-N 2.93Å; C393-N399 PolarHBondContact N-OD1 3.22Å
394	A	95.5	Very high	92.5	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.9	-177.1	0	0	0	0	0	113.7	T116 I117 Q120 N337	T116-A394 HydrophobicContact CG2-CB 3.79Å; T116-A394 WeakPolarHBondContact CG2-O 3.4Å; I117-A394 HydrophobicContact CG1-CB 4.07Å; Q120-A394 WeakPolarHBondContact CG-O 3.32Å; Q120-A394 PolarHBondContact NE2-O 3.47Å; N337-A394 WeakPolarHBondContact OD1-CB 3.35Å; N337-A394 PolarHBondContact OD1-N 3.29Å
395	T	94.9	Very high	92.6	Very high	26 Å²	26	45.3 Å²	45.3	16%	0.16	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.3	174.3	62.7	0	0	0	0	114.5	T116 Q240 R244 C393	T116-T395 HydrophobicContact CG2-CG2 4.28Å; Q240-T395 PolarHBondContact NE2-O 3.34Å; Q240-T395 VanDerWaalsContact NE2-O 3.09Å; R244-T395 HydrophobicContact CG-CG2 4.06Å; R244-T395 PolarHBondContact NH2-OG1 3.03Å; C393-T395 PolarHBondContact O-N 3.07Å; C393-T395 PolarHBondContact SG-OG1 2.93Å
396	D	95.9	Very high	92.6	Very high	69 Å²	69	46.3 Å²	46.3	37%	0.369	23%	0.229	S	C	.	.			trans	-103	107.2	171.8	172.5	4.8	0	0	0	109.9	C393 K398 N399 V400	C393-D396 HydrophobicContact CB-CB 4.13Å; C393-D396 PolarHBondContact O-N 2.93Å; D396-K398 VanDerWaalsContact C-N 3.3Å; D396-K398 PolarHBondContact O-N 2.98Å; D396-K398 WeakPolarHBondContact OD1-CB 3.26Å; D396-K398 PolarHBondContact OD1-N 3.36Å; D396-N399 HydrophobicContact CB-CB 4Å; D396-N399 PolarHBondContact O-N 2.95Å; D396-N399 PolarHBondContact OD1-N 2.67Å; D396-N399 VanDerWaalsContact OD2-CB 3.26Å; D396-N399 WeakPolarHBondContact OD2-CB 3.37Å; D396-V400 WeakPolarHBondContact O-CG2 3.44Å; D396-V400 PolarHBondContact O-N 3.37Å
397	T	94.6	Very high	92.5	Very high	41 Å²	41	40.5 Å²	40.5	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-35	-178.9	-56.9	0	0	0	0	113	Q120 I123 I124 V400 Q401	Q120-T397 PolarHBondContact NE2-OG1 2.8Å; Q120-T397 PolarHBondContact OE1-OG1 3.44Å; I123-T397 HydrophobicContact CG2-CG2 3.87Å; I124-T397 HydrophobicContact CD1-CG2 4.14Å; I124-T397 HydrophobicContact CG1-CG2 3.67Å; T397-V400 PolarHBondContact O-N 2.92Å; T397-Q401 VanDerWaalsContact O-CB 3.31Å; T397-Q401 WeakPolarHBondContact O-CB 3.48Å; T397-Q401 PolarHBondContact O-N 2.6Å
398	K	93.8	Very high	92	Very high	170 Å²	170	39.5 Å²	39.5	74%	0.739	20%	0.197	S	C	*	.	H	α-helix	trans	-70.5	-41.5	179.4	-67.2	-177.5	178.6	179.7	0	111.2	D396 F402	D396-K398 VanDerWaalsContact C-N 3.3Å; D396-K398 PolarHBondContact O-N 2.98Å; D396-K398 WeakPolarHBondContact OD1-CB 3.26Å; D396-K398 PolarHBondContact OD1-N 3.36Å; K398-F402 WeakPolarHBondContact O-CB 3.3Å; K398-F402 PolarHBondContact O-N 2.77Å
399	N	93.5	Very high	91.4	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-42.3	176.1	175.5	-110.3	0	0	0	111.8	K339 T392 C393 D396 V403	K339-N399 PolarHBondContact NZ-ND2 2.88Å; T392-N399 VanDerWaalsContact CA-OD1 3.24Å; T392-N399 WeakPolarHBondContact CA-OD1 3.37Å; C393-N399 PolarHBondContact N-OD1 3.22Å; D396-N399 HydrophobicContact CB-CB 4Å; D396-N399 PolarHBondContact O-N 2.95Å; D396-N399 PolarHBondContact OD1-N 2.67Å; D396-N399 VanDerWaalsContact OD2-CB 3.26Å; D396-N399 WeakPolarHBondContact OD2-CB 3.37Å; N399-V403 WeakPolarHBondContact O-CB 3.36Å; N399-V403 VanDerWaalsContact O-CG2 3.29Å; N399-V403 WeakPolarHBondContact O-CG2 3.41Å; N399-V403 PolarHBondContact O-N 3.46Å; N399-V403 VanDerWaalsContact O-N 3.08Å
400	V	92.9	Very high	90.4	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-42.1	177.1	176.1	0	0	0	0	111.7	Q120 M121 I124 D396 T397 V403 F404	Q120-V400 HydrophobicContact CB-CB 4.34Å; Q120-V400 HydrophobicContact CB-CG1 3.76Å; Q120-V400 HydrophobicContact CG-CB 4.29Å; Q120-V400 HydrophobicContact CG-CG1 4.18Å; Q120-V400 HydrophobicContact CG-CG2 4.15Å; M121-V400 HydrophobicContact CE-CG1 3.76Å; I124-V400 HydrophobicContact CD1-CB 4.22Å; I124-V400 HydrophobicContact CD1-CG1 3.95Å; D396-V400 WeakPolarHBondContact O-CG2 3.44Å; D396-V400 PolarHBondContact O-N 3.37Å; T397-V400 PolarHBondContact O-N 2.92Å; V400-V403 PolarHBondContact O-N 3.11Å; V400-F404 VanDerWaalsContact O-CB 3.28Å; V400-F404 WeakPolarHBondContact O-CB 3.27Å; V400-F404 PolarHBondContact O-N 3.1Å
401	Q	92.1	Very high	89.3	Confident	84 Å²	84	39.7 Å²	39.7	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-57.9	-54.6	175.7	-177.5	173.8	17.2	0	0	111.5	I124 T397 V403 F404 D405	I124-Q401 HydrophobicContact CD1-CB 3.97Å; I124-Q401 HydrophobicContact CG1-CB 4.38Å; I124-Q401 HydrophobicContact CG2-CB 4.11Å; I124-Q401 HydrophobicContact CG2-CG 3.81Å; T397-Q401 VanDerWaalsContact O-CB 3.31Å; T397-Q401 WeakPolarHBondContact O-CB 3.48Å; T397-Q401 PolarHBondContact O-N 2.6Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 2.97Å; Q401-F404 PolarHBondContact O-N 2.69Å; Q401-F404 VanDerWaalsContact O-N 3.14Å; Q401-D405 VanDerWaalsContact O-CG 3.23Å; Q401-D405 PolarHBondContact O-N 2.99Å
402	F	89.6	Confident	88.1	Confident	148 Å²	148	38.9 Å²	38.9	65%	0.649	20%	0.2	S	C	*	.	H	α-helix	trans	-57.6	-41.6	179.6	176.1	-96.2	0	0	0	112.9	K398 A406	K398-F402 WeakPolarHBondContact O-CB 3.3Å; K398-F402 PolarHBondContact O-N 2.77Å; F402-A406 PolarHBondContact O-N 2.91Å
403	V	89	Confident	86.8	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-40	178.3	170.2	0	0	0	0	111.2	F335 H390 T392 N399 V400 Q401 A406 V407	F335-V403 HydrophobicContact CD1-CG1 4.18Å; F335-V403 HydrophobicContact CE1-CG1 3.32Å; F335-V403 HydrophobicContact CZ-CG1 3.58Å; H390-V403 HydrophobicContact CB-CG1 3.64Å; H390-V403 HydrophobicContact CB-CG2 4.22Å; T392-V403 HydrophobicContact CG2-CB 4.37Å; T392-V403 HydrophobicContact CG2-CG1 3.93Å; T392-V403 HydrophobicContact CG2-CG2 4.18Å; N399-V403 WeakPolarHBondContact O-CB 3.36Å; N399-V403 VanDerWaalsContact O-CG2 3.29Å; N399-V403 WeakPolarHBondContact O-CG2 3.41Å; N399-V403 PolarHBondContact O-N 3.46Å; N399-V403 VanDerWaalsContact O-N 3.08Å; V400-V403 PolarHBondContact O-N 3.11Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 2.97Å; V403-A406 PolarHBondContact O-N 3.28Å; V403-V407 HydrophobicContact CG1-CG2 4.3Å; V403-V407 WeakPolarHBondContact O-CB 3.26Å; V403-V407 WeakPolarHBondContact O-CG2 3.34Å; V403-V407 PolarHBondContact O-N 3.49Å
404	F	88.3	Confident	85.4	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-35.9	178.2	-166.4	-95.1	0	0	0	112.6	L104 M121 H125 F257 F259 F264 M266 V400 Q401 V407 T408	L104-F404 HydrophobicContact CD1-CE2 3.73Å; L104-F404 HydrophobicContact CD1-CZ 3.86Å; M121-F404 HydrophobicContact CE-CB 4.33Å; M121-F404 HydrophobicContact CE-CD2 4.01Å; M121-F404 HydrophobicContact CE-CG 4.06Å; M121-F404 HydrophobicContact SD-CD1 4.23Å; M121-F404 HydrophobicContact SD-CD2 3.68Å; M121-F404 HydrophobicContact SD-CE1 4.21Å; M121-F404 HydrophobicContact SD-CE2 3.66Å; M121-F404 HydrophobicContact SD-CG 3.98Å; M121-F404 HydrophobicContact SD-CZ 3.94Å; H125-F404 AromaticContact NE2-CD1 3.39Å; H125-F404 WeakPolarHBondContact NE2-CD1 3.37Å; H125-F404 AromaticContact NE2-CE1 3.68Å; F257-F404 AromaticContact CE2-CE1 3.84Å; F257-F404 HydrophobicContact CE2-CE1 3.84Å; F257-F404 AromaticContact CE2-CZ 3.79Å; F257-F404 HydrophobicContact CE2-CZ 3.79Å; F257-F404 HydrophobicContact CZ-CE1 4.14Å; F257-F404 HydrophobicContact CZ-CE2 4.3Å; F257-F404 AromaticContact CZ-CZ 3.62Å; F257-F404 HydrophobicContact CZ-CZ 3.62Å; F259-F404 HydrophobicContact CD1-CD1 4.43Å; F259-F404 HydrophobicContact CD1-CE1 4.08Å; F264-F404 HydrophobicContact CD1-CZ 4.09Å; F264-F404 HydrophobicContact CE1-CE1 4.45Å; F264-F404 AromaticContact CE1-CZ 3.93Å; F264-F404 HydrophobicContact CE1-CZ 3.93Å; F264-F404 HydrophobicContact CZ-CE1 4.45Å; F264-F404 HydrophobicContact CZ-CZ 4.37Å; M266-F404 HydrophobicContact CE-CE2 3.92Å; V400-F404 VanDerWaalsContact O-CB 3.28Å; V400-F404 WeakPolarHBondContact O-CB 3.27Å; V400-F404 PolarHBondContact O-N 3.1Å; Q401-F404 PolarHBondContact O-N 2.69Å; Q401-F404 VanDerWaalsContact O-N 3.14Å; F404-V407 PolarHBondContact O-N 2.83Å; F404-T408 WeakPolarHBondContact CE1-OG1 3.08Å; F404-T408 VanDerWaalsContact O-CB 3.28Å; F404-T408 WeakPolarHBondContact O-CB 3.45Å; F404-T408 PolarHBondContact O-N 3.4Å; F404-T408 PolarHBondContact O-OG1 3.44Å
405	D	87.8	Confident	83.9	Confident	46 Å²	46	49 Å²	49	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-48.7	172.9	-69.7	-22.5	0	0	0	111.1	F259 Q401 T408 D409	F259-D405 WeakPolarHBondContact CZ-OD1 3.42Å; Q401-D405 VanDerWaalsContact O-CG 3.23Å; Q401-D405 PolarHBondContact O-N 2.99Å; D405-T408 PolarHBondContact O-N 3.38Å; D405-D409 PolarHBondContact O-N 3.28Å
406	A	84.2	Confident	82.3	Confident	32 Å²	32	50.9 Å²	50.9	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-43.7	178.3	0	0	0	0	0	112.5	F402 V403 T408 D409 V410	F402-A406 PolarHBondContact O-N 2.91Å; V403-A406 PolarHBondContact O-N 3.28Å; A406-T408 VanDerWaalsContact C-N 3.33Å; A406-T408 PolarHBondContact O-N 2.9Å; A406-D409 PolarHBondContact O-N 2.99Å; A406-V410 WeakPolarHBondContact O-CG2 3.25Å; A406-V410 PolarHBondContact O-N 3.45Å
407	V	82.8	Confident	80.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-42.9	174.9	164.4	0	0	0	0	111.1	I333 F335 V403 F404 D409 V410 I411	I333-V407 HydrophobicContact CD1-CG1 3.75Å; I333-V407 HydrophobicContact CG1-CG1 3.8Å; I333-V407 HydrophobicContact CG1-CG2 4.15Å; I333-V407 HydrophobicContact CG2-CG1 4.44Å; I333-V407 HydrophobicContact CG2-CG2 3.59Å; F335-V407 HydrophobicContact CE1-CG2 4.01Å; F335-V407 HydrophobicContact CZ-CG2 4.32Å; V403-V407 HydrophobicContact CG1-CG2 4.3Å; V403-V407 WeakPolarHBondContact O-CB 3.26Å; V403-V407 WeakPolarHBondContact O-CG2 3.34Å; V403-V407 PolarHBondContact O-N 3.49Å; F404-V407 PolarHBondContact O-N 2.83Å; V407-D409 PolarHBondContact O-N 2.93Å; V407-V410 PolarHBondContact O-N 3.14Å; V407-I411 HydrophobicContact CG1-CD1 3.58Å; V407-I411 HydrophobicContact CG1-CG1 4.27Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.36Å; V407-I411 PolarHBondContact O-N 3.28Å
408	T	82.1	Confident	78.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-44.9	178.1	-64.4	0	0	0	0	111.3	F259 K260 F264 F404 D405 A406 V410 I411 I412	F259-T408 HydrophobicContact CD1-CG2 3.9Å; F259-T408 HydrophobicContact CE1-CG2 3.77Å; K260-T408 HydrophobicContact CD-CG2 4.28Å; F264-T408 HydrophobicContact CZ-CG2 4.01Å; F404-T408 WeakPolarHBondContact CE1-OG1 3.08Å; F404-T408 VanDerWaalsContact O-CB 3.28Å; F404-T408 WeakPolarHBondContact O-CB 3.45Å; F404-T408 PolarHBondContact O-N 3.4Å; F404-T408 PolarHBondContact O-OG1 3.44Å; D405-T408 PolarHBondContact O-N 3.38Å; A406-T408 VanDerWaalsContact C-N 3.33Å; A406-T408 PolarHBondContact O-N 2.9Å; T408-V410 VanDerWaalsContact C-N 3.26Å; T408-V410 PolarHBondContact O-N 2.89Å; T408-I411 PolarHBondContact O-N 3.38Å; T408-I412 HydrophobicContact CG2-CD1 3.48Å; T408-I412 VanDerWaalsContact CG2-CD1 3.48Å; T408-I412 HydrophobicContact CG2-CG1 4.06Å; T408-I412 WeakPolarHBondContact O-CB 3.41Å; T408-I412 VanDerWaalsContact O-CG1 3.23Å; T408-I412 WeakPolarHBondContact O-CG1 3.32Å; T408-I412 PolarHBondContact O-N 3.36Å
409	D	79.9	Confident	76.9	Confident	67 Å²	67	54.7 Å²	54.7	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-31	179.7	-72.5	-12.7	0	0	0	112.8	K260 D405 A406 V407 K413	K260-D409 IonicContact NZ-OD1 2.68Å; K260-D409 PolarHBondContact NZ-OD1 3.19Å; K260-D409 IonicContact NZ-OD2 3.08Å; D405-D409 PolarHBondContact O-N 3.28Å; A406-D409 PolarHBondContact O-N 2.99Å; V407-D409 PolarHBondContact O-N 2.93Å; D409-K413 WeakPolarHBondContact O-CB 3.33Å; D409-K413 VanDerWaalsContact O-CD 3.31Å; D409-K413 WeakPolarHBondContact O-CD 3.44Å; D409-K413 WeakPolarHBondContact O-CG 3.42Å; D409-K413 PolarHBondContact O-N 3.17Å
410	V	73.8	Confident	74.5	Confident	38 Å²	38	56.7 Å²	56.7	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-48.7	172.9	172.5	0	0	0	0	111.4	Y388 A406 V407 T408 I412 K413 N414	Y388-V410 HydrophobicContact CD1-CG1 3.95Å; Y388-V410 HydrophobicContact CD2-CG1 3.73Å; Y388-V410 HydrophobicContact CE1-CG1 3.66Å; Y388-V410 HydrophobicContact CE2-CG1 3.4Å; Y388-V410 VanDerWaalsContact CE2-CG1 3.4Å; Y388-V410 HydrophobicContact CG-CG1 3.99Å; A406-V410 WeakPolarHBondContact O-CG2 3.25Å; A406-V410 PolarHBondContact O-N 3.45Å; V407-V410 PolarHBondContact O-N 3.14Å; T408-V410 VanDerWaalsContact C-N 3.26Å; T408-V410 PolarHBondContact O-N 2.89Å; V410-I412 VanDerWaalsContact C-N 3.33Å; V410-I412 PolarHBondContact O-N 2.86Å; V410-K413 PolarHBondContact O-N 3.28Å; V410-N414 PolarHBondContact O-N 2.8Å; V410-N414 VanDerWaalsContact O-N 3.11Å
411	I	74.4	Confident	72.2	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-46.1	178	-68.7	171.6	0	0	0	110.4	V102 L104 T287 A288 I333 V407 T408 N414 N415	V102-I411 HydrophobicContact CG1-CG2 4.12Å; L104-I411 HydrophobicContact CD2-CD1 3.78Å; T287-I411 HydrophobicContact CG2-CG2 4Å; A288-I411 HydrophobicContact CB-CD1 3.74Å; A288-I411 HydrophobicContact CB-CG1 4.02Å; I333-I411 HydrophobicContact CD1-CD1 3.88Å; I333-I411 HydrophobicContact CD1-CG1 4.19Å; V407-I411 HydrophobicContact CG1-CD1 3.58Å; V407-I411 HydrophobicContact CG1-CG1 4.27Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.36Å; V407-I411 PolarHBondContact O-N 3.28Å; T408-I411 PolarHBondContact O-N 3.38Å; I411-N414 PolarHBondContact O-N 3.3Å; I411-N415 WeakPolarHBondContact CG2-ND2 3.04Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 3.12Å
412	I	71.5	Confident	69.6	Low	40 Å²	40	69.1 Å²	69.1	21%	0.205	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-47.6	178.6	-70.5	175.5	0	0	0	110.8	L262 T408 V410 N414 N415 L416	L262-I412 HydrophobicContact CD1-CD1 3.53Å; L262-I412 HydrophobicContact CD1-CG1 3.58Å; T408-I412 HydrophobicContact CG2-CD1 3.48Å; T408-I412 VanDerWaalsContact CG2-CD1 3.48Å; T408-I412 HydrophobicContact CG2-CG1 4.06Å; T408-I412 WeakPolarHBondContact O-CB 3.41Å; T408-I412 VanDerWaalsContact O-CG1 3.23Å; T408-I412 WeakPolarHBondContact O-CG1 3.32Å; T408-I412 PolarHBondContact O-N 3.36Å; V410-I412 VanDerWaalsContact C-N 3.33Å; V410-I412 PolarHBondContact O-N 2.86Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.84Å; I412-N415 PolarHBondContact O-N 3.1Å; I412-L416 HydrophobicContact CG2-CD1 3.53Å; I412-L416 HydrophobicContact CG2-CG 4.04Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.3Å; I412-L416 PolarHBondContact O-N 3.29Å
413	K	69.8	Low	68.6	Low	135 Å²	135	65.2 Å²	65.2	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-59.7	-36.6	179.7	-78.8	168.7	-174.2	169.3	0	113.2	D409 V410 K417	D409-K413 WeakPolarHBondContact O-CB 3.33Å; D409-K413 VanDerWaalsContact O-CD 3.31Å; D409-K413 WeakPolarHBondContact O-CD 3.44Å; D409-K413 WeakPolarHBondContact O-CG 3.42Å; D409-K413 PolarHBondContact O-N 3.17Å; V410-K413 PolarHBondContact O-N 3.28Å; K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 3.47Å
414	N	67.4	Low	67.6	Low	37 Å²	37	68.3 Å²	68.3	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-76.4	-45.5	178.7	-69.8	-11	0	0	0	111.4	Y388 V410 I411 I412 L416 K417 D418	Y388-N414 PolarHBondContact OH-ND2 3.46Å; V410-N414 PolarHBondContact O-N 2.8Å; V410-N414 VanDerWaalsContact O-N 3.11Å; I411-N414 PolarHBondContact O-N 3.3Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.84Å; N414-L416 PolarHBondContact O-N 3.35Å; N414-K417 WeakPolarHBondContact O-CB 3.34Å; N414-K417 PolarHBondContact O-N 3.29Å; N414-D418 PolarHBondContact O-N 3.48Å; N414-D418 VanDerWaalsContact O-N 3.11Å
415	N	63.3	Low	66.4	Low	56 Å²	56	72 Å²	72	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-36.7	177.3	-75.5	-86.8	0	0	0	113.1	T287 I411 I412 K417 D418 C419	T287-N415 WeakPolarHBondContact CG2-ND2 3.49Å; T287-N415 WeakPolarHBondContact CG2-OD1 3.24Å; I411-N415 WeakPolarHBondContact CG2-ND2 3.04Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 3.12Å; I412-N415 PolarHBondContact O-N 3.1Å; N415-K417 VanDerWaalsContact C-N 3.3Å; N415-K417 PolarHBondContact O-N 3.16Å; N415-D418 PolarHBondContact O-N 3.11Å; N415-C419 PolarHBondContact O-N 3.17Å; N415-C419 PolarHBondContact O-SG 3.18Å; N415-C419 VanDerWaalsContact O-SG 3.37Å
416	L	61	Low	65.2	Low	65 Å²	65	73.5 Å²	73.5	34%	0.34	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-32.5	176.8	-73.6	176	0	0	0	112.7	I412 N414 G420 L421	I412-L416 HydrophobicContact CG2-CD1 3.53Å; I412-L416 HydrophobicContact CG2-CG 4.04Å; I412-L416 WeakPolarHBondContact O-CB 3.42Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.3Å; I412-L416 PolarHBondContact O-N 3.29Å; N414-L416 PolarHBondContact O-N 3.35Å; L416-G420 PolarHBondContact O-N 3.32Å; L416-L421 HydrophobicContact CD2-CB 4.29Å; L416-L421 HydrophobicContact CD2-CD1 3.91Å; L416-L421 PolarHBondContact O-N 2.69Å
417	K	61.2	Low	64	Low	128 Å²	128	76.1 Å²	76.1	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-67.7	-46.1	171.3	-71.6	170.1	-179.8	175.2	0	111.2	K413 N414 N415 C419 G420	K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 3.47Å; N414-K417 WeakPolarHBondContact O-CB 3.34Å; N414-K417 PolarHBondContact O-N 3.29Å; N415-K417 VanDerWaalsContact C-N 3.3Å; N415-K417 PolarHBondContact O-N 3.16Å; K417-C419 PolarHBondContact O-N 3.03Å; K417-G420 PolarHBondContact O-N 3.16Å
418	D	58.8	Low	62.7	Low	140 Å²	140	81.1 Å²	81.1	75%	0.749	43%	0.431	S	S	*	.	H	α-helix	trans	-64.7	-28.8	179.9	-67.1	-21.4	0	0	0	112.4	N414 N415 G420	N414-D418 PolarHBondContact O-N 3.48Å; N414-D418 VanDerWaalsContact O-N 3.11Å; N415-D418 PolarHBondContact O-N 3.11Å; D418-G420 VanDerWaalsContact C-N 3.3Å
419	C	52.7	Low	61.3	Low	92 Å²	92	86.9 Å²	86.9	62%	0.622	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.5	170.7	-66.6	0	0	0	0	114.7	N415 K417 L421	N415-C419 PolarHBondContact O-N 3.17Å; N415-C419 PolarHBondContact O-SG 3.18Å; N415-C419 VanDerWaalsContact O-SG 3.37Å; K417-C419 PolarHBondContact O-N 3.03Å; C419-L421 VanDerWaalsContact C-N 3.31Å; C419-L421 HydrophobicContact CB-CD1 4Å; C419-L421 HydrophobicContact CB-CG 4.29Å; C419-L421 PolarHBondContact O-N 3.03Å
420	G	42.8	Very low	59.9	Low	64 Å²	64	88.5 Å²	88.5	66%	0.66	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	26.6	-179.4	0	0	0	0	0	114.5	L416 K417 D418	L416-G420 PolarHBondContact O-N 3.32Å; K417-G420 PolarHBondContact O-N 3.16Å; D418-G420 VanDerWaalsContact C-N 3.3Å
421	L	43.8	Very low	58.7	Low	125 Å²	125	92.7 Å²	92.7	65%	0.654	49%	0.49	S	S	*	.			trans	-96.3	6.9	-179.2	-72.3	166.6	0	0	0	113.3	L416 C419	L416-L421 HydrophobicContact CD2-CB 4.29Å; L416-L421 HydrophobicContact CD2-CD1 3.91Å; L416-L421 PolarHBondContact O-N 2.69Å; C419-L421 VanDerWaalsContact C-N 3.31Å; C419-L421 HydrophobicContact CB-CD1 4Å; C419-L421 HydrophobicContact CB-CG 4.29Å; C419-L421 PolarHBondContact O-N 3.03Å
422	F	38.3	Very low	57.3	Low	226 Å²	226	100.7 Å²	100.7	99%	0.991	53%	0.533	S	S	*	.			trans	-147.8	0	-178.5	-136	-78.8	0	0	0	112.2

Retrieved 422 of 422 residues in 122.9 ms (Link to these results)

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