A0A096MZM0_PAPAN Loading...

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

AlphaFold DB (A0A2K6D425), UniProt , Accession A0A096MZM0, Species PAPAN (Papio anubis, Olive baboon), Gene GNAI1, Length 422 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 188.3 ms (Link to these results)

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