A0A087XQJ9_POEFO Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A087XQJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	26.8	Very low	244 Å²	244	176.5 Å²	176.5	100%	1.202	87%	0.868	S	S	*	*				0	99.3	0	-90.2	173.3	170	0	0	109.7
2	R	24.6	Very low	26.8	Very low	253 Å²	253	171.2 Å²	171.2	96%	0.955	85%	0.852	S	S	*	*			trans	-142.4	105.2	158.4	-82.6	-167.3	175	-162	-1.4	107	S4	R2-S4 PolarHBondContact O-N 3.3Å
3	H	26.2	Very low	27.3	Very low	192 Å²	192	170.5 Å²	170.5	89%	0.889	83%	0.834	S	S	*	*			trans	-66.2	119.8	174.5	-83.9	-63.8	0	0	0	109.6
4	S	23.9	Very low	27.5	Very low	107 Å²	107	163.8 Å²	163.8	75%	0.748	80%	0.803	S	S	*	*			trans	-87.9	114.7	158	-177.4	0	0	0	0	107.8	R2 R6	R2-S4 PolarHBondContact O-N 3.3Å; S4-R6 PolarHBondContact O-N 3.39Å; S4-R6 VanDerWaalsContact O-N 3.08Å
5	K	24.8	Very low	27.4	Very low	204 Å²	204	162.2 Å²	162.2	89%	0.887	80%	0.799	S	S	*	*			trans	-69	100.5	170.3	-77.1	-179.9	175.6	177.9	0	107.5	M7	K5-M7 PolarHBondContact O-N 3.32Å
6	R	27.4	Very low	27.9	Very low	237 Å²	237	161.1 Å²	161.1	89%	0.894	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.7	172.5	-84.9	179.5	171.6	179.8	-3.7	109.8	S4	S4-R6 PolarHBondContact O-N 3.39Å; S4-R6 VanDerWaalsContact O-N 3.08Å
7	M	24.1	Very low	28.5	Very low	175 Å²	175	162.2 Å²	162.2	86%	0.862	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.1	130.4	159.1	-80.6	-152.7	158.9	0	0	109.1	K5 S9	K5-M7 PolarHBondContact O-N 3.32Å; M7-S9 PolarHBondContact O-N 3.18Å
8	R	25.1	Very low	28.5	Very low	234 Å²	234	155.3 Å²	155.3	88%	0.883	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-60.7	125.8	169.9	-66.6	178.3	175.9	-151.5	-3.4	108.5
9	S	25.4	Very low	28.6	Very low	110 Å²	110	158.1 Å²	158.1	77%	0.769	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.3	132.1	153.6	-63.2	0	0	0	0	107.5	M7 G11	M7-S9 PolarHBondContact O-N 3.18Å; S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 2.74Å
10	P	28.1	Very low	28.9	Very low	119 Å²	119	156.7 Å²	156.7	77%	0.773	76%	0.758	S	S	*	*			trans	-69.1	91.6	172.3	-14.9	29.4	0	0	0	109	V12	P10-V12 VanDerWaalsContact C-N 3.28Å; P10-V12 PolarHBondContact O-N 2.69Å; P10-V12 VanDerWaalsContact O-N 3.07Å
11	G	29.3	Very low	29	Very low	66 Å²	66	155.2 Å²	155.2	68%	0.68	75%	0.754	S	S	*	*			trans	-72.9	85.9	162.2	0	0	0	0	0	108.6	S9	S9-G11 VanDerWaalsContact C-N 3.29Å; S9-G11 PolarHBondContact O-N 2.74Å
12	V	27.2	Very low	28.7	Very low	113 Å²	113	153.5 Å²	153.5	69%	0.685	73%	0.734	S	S	*	*			trans	-105.4	78	158.6	-173.4	0	0	0	0	106	P10	P10-V12 VanDerWaalsContact C-N 3.28Å; P10-V12 PolarHBondContact O-N 2.69Å; P10-V12 VanDerWaalsContact O-N 3.07Å
13	W	33.8	Very low	29.1	Very low	163 Å²	163	149 Å²	149	62%	0.617	73%	0.726	S	S	*	*			trans	-124.3	103.1	168.6	-68.7	102.9	0	0	0	106.1
14	L	29.9	Very low	29.5	Very low	76 Å²	76	147.5 Å²	147.5	40%	0.398	72%	0.719	S	S	.	*	S	Bend	trans	135.1	2.9	158.9	-75.6	146.2	0	0	0	117.6	Y17	L14-Y17 HydrophobicContact CD2-CD2 3.64Å; L14-Y17 HydrophobicContact CD2-CE2 3.31Å; L14-Y17 HydrophobicContact CG-CD2 4.48Å; L14-Y17 HydrophobicContact CG-CE2 4.11Å
15	D	25.8	Very low	29.7	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	4.3	169	-120.1	7.2	0	0	0	114.2
16	E	34.7	Very low	30	Very low	145 Å²	145	149.2 Å²	149.2	68%	0.678	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-5.6	176.9	-96.8	-174.9	163.3	0	0	114.4	G18	E16-G18 PolarHBondContact O-N 3.29Å; E16-G18 VanDerWaalsContact O-N 3.14Å
17	Y	39.3	Very low	30.1	Very low	179 Å²	179	147.2 Å²	147.2	70%	0.702	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	15.1	-174.8	-71.5	-81.6	0	0	0	115.4	L14	L14-Y17 HydrophobicContact CD2-CD2 3.64Å; L14-Y17 HydrophobicContact CD2-CE2 3.31Å; L14-Y17 HydrophobicContact CG-CD2 4.48Å; L14-Y17 HydrophobicContact CG-CE2 4.11Å
18	G	28	Very low	30.5	Very low	38 Å²	38	150 Å²	150	39%	0.392	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.4	-5.9	-177.8	0	0	0	0	0	116.9	E16 R22	E16-G18 PolarHBondContact O-N 3.29Å; E16-G18 VanDerWaalsContact O-N 3.14Å; G18-R22 WeakPolarHBondContact O-CB 3.49Å
19	W	30.3	Very low	30.6	Very low	208 Å²	208	150.5 Å²	150.5	79%	0.788	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-35.8	-173.3	-77.6	89.6	0	0	0	113.8
20	E	33.8	Very low	30.7	Very low	130 Å²	130	155.3 Å²	155.3	61%	0.607	73%	0.728	S	S	*	*	S	Bend	trans	-74.4	-38.7	178.1	-72	-164.2	129.7	0	0	112.1	R22 R418	E20-R22 PolarHBondContact O-N 3.31Å; E20-R418 IonicContact OE1-CZ 2.94Å; E20-R418 IonicContact OE1-NH1 3.44Å; E20-R418 PolarHBondContact OE1-NH1 2.72Å; E20-R418 IonicContact OE1-NH2 3.81Å; E20-R418 PolarHBondContact OE1-NH2 3.4Å
21	D	31.6	Very low	30.7	Very low	126 Å²	126	160.6 Å²	160.6	67%	0.674	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-72.7	-24.6	179.7	-85.4	-14	0	0	0	114.2	M23 E24	D21-M23 VanDerWaalsContact C-N 3.31Å; D21-M23 PolarHBondContact O-N 3.07Å; D21-E24 PolarHBondContact O-N 3.05Å
22	R	30.3	Very low	30.6	Very low	208 Å²	208	164.5 Å²	164.5	79%	0.785	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-78	-14.9	-175.9	-159.6	176.8	-113.6	-161.9	0.1	113.4	G18 E20	G18-R22 WeakPolarHBondContact O-CB 3.49Å; E20-R22 PolarHBondContact O-N 3.31Å
23	M	32.7	Very low	30.7	Very low	159 Å²	159	164.5 Å²	164.5	78%	0.783	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-86.7	-19.4	175.4	-83.4	-71.4	-142.8	0	0	113.5	D21	D21-M23 VanDerWaalsContact C-N 3.31Å; D21-M23 PolarHBondContact O-N 3.07Å
24	E	34.3	Very low	30.8	Very low	160 Å²	160	162.7 Å²	162.7	75%	0.748	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-22.4	-175.8	-142.5	164.5	-163.4	0	0	112.8	D21 R26	D21-E24 PolarHBondContact O-N 3.05Å; E24-R26 PolarHBondContact O-N 2.65Å
25	C	27.9	Very low	30.6	Very low	116 Å²	116	164.4 Å²	164.4	78%	0.784	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-4.3	-178.3	-143.6	0	0	0	0	114.8
26	R	30.3	Very low	30.6	Very low	232 Å²	232	161.8 Å²	161.8	88%	0.875	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	5.8	-179.5	-91.1	-175	174.1	-177.5	-1.1	116.2	E24	E24-R26 PolarHBondContact O-N 2.65Å
27	K	30.8	Very low	30.4	Very low	194 Å²	194	161.4 Å²	161.4	84%	0.843	77%	0.766	S	S	*	*	S	Bend	trans	-126.1	22.2	-179.6	-76	-170.8	179	177.7	0	116.2
28	R	31.8	Very low	29.8	Very low	234 Å²	234	163.4 Å²	163.4	88%	0.883	77%	0.772	S	S	*	*			trans	-129.6	82.5	166.4	-83.1	-175.6	168.9	-177.1	-1.8	111.2
29	R	28.2	Very low	29.9	Very low	244 Å²	244	169.4 Å²	169.4	92%	0.921	79%	0.79	S	S	*	*			trans	-161.4	134.1	147.4	-107.5	168.4	-176.1	-160.6	0	109.9
30	K	27.2	Very low	29.7	Very low	211 Å²	211	166.2 Å²	166.2	92%	0.917	79%	0.788	S	S	*	*			trans	91.1	96.4	175.3	-59.4	-172.4	174.2	-175.4	0	116.8
31	R	26.9	Very low	29.4	Very low	230 Å²	230	170.6 Å²	170.6	87%	0.868	80%	0.799	S	S	*	*			trans	-97	164.4	146.8	-108	-173.8	179.6	-170.4	-1.2	108.8
32	D	28.1	Very low	29.1	Very low	149 Å²	149	169 Å²	169	80%	0.797	80%	0.798	S	S	*	*			trans	91.8	122.6	173.1	-48.9	-20.5	0	0	0	113.4
33	S	28.1	Very low	28.9	Very low	112 Å²	112	169.5 Å²	169.5	78%	0.783	80%	0.8	S	S	*	*			cis	-164.8	176.7	10.8	-92.4	0	0	0	0	109.4
34	P	36	Very low	28.5	Very low	125 Å²	125	172.7 Å²	172.7	81%	0.812	80%	0.803	S	S	*	*			trans	-103.1	156.6	-149.7	38.7	-32.6	0	0	0	116
35	S	26.8	Very low	28.1	Very low	112 Å²	112	170.5 Å²	170.5	78%	0.783	81%	0.805	S	S	*	*			trans	-160.1	128.2	153	-163.9	0	0	0	0	113.4
36	S	26.5	Very low	28.2	Very low	86 Å²	86	171 Å²	171	60%	0.601	81%	0.808	S	S	*	*			trans	17.7	150.1	149	72.3	0	0	0	0	125
37	D	29.1	Very low	27.9	Very low	137 Å²	137	171 Å²	171	73%	0.733	81%	0.808	S	S	*	*			trans	102.2	100.3	143.8	-57.8	-41.5	0	0	0	121.5
38	R	26.6	Very low	27.5	Very low	221 Å²	221	173.1 Å²	173.1	83%	0.834	81%	0.812	S	S	*	*				36.8	134.3	123.1	-82.1	-174.8	179.1	178.1	0.8	121.9
39	E	29.6	Very low	27.1	Very low	163 Å²	163	169.1 Å²	169.1	76%	0.762	81%	0.808	S	S	*	*			trans	93.7	105.5	139.8	-76	178.1	-164.3	0	0	121.9
40	N	26.4	Very low	26.9	Very low	141 Å²	141	167.2 Å²	167.2	75%	0.754	81%	0.807	S	S	*	*				55.9	107.4	111.4	-137.2	7.9	0	0	0	119.9
41	R	27.4	Very low	26.7	Very low	222 Å²	222	161.1 Å²	161.1	84%	0.838	80%	0.796	S	S	*	*				160.2	128.6	115.7	-91.2	178.5	174	175.3	-0.1	114.4
42	S	25.6	Very low	26.6	Very low	94 Å²	94	161.3 Å²	161.3	66%	0.657	80%	0.798	S	S	*	*			trans	11.4	140.8	141.3	79.7	0	0	0	0	123.2
43	R	26.1	Very low	26.4	Very low	217 Å²	217	160.8 Å²	160.8	82%	0.819	80%	0.795	S	S	*	*			trans	99.9	127.1	132.9	-84.4	172.5	-176	-172.1	2.9	120.2
44	R	25.6	Very low	26.3	Very low	226 Å²	226	159.1 Å²	159.1	85%	0.853	80%	0.795	S	S	*	*			trans	93.6	115.2	142.1	-77.3	176.4	175.7	-175	-1.5	119.2
45	S	24.6	Very low	25.8	Very low	114 Å²	114	160.2 Å²	160.2	80%	0.797	79%	0.789	S	S	*	*			trans	-54.2	160.8	150.6	-45	0	0	0	0	112
46	P	30	Very low	25.7	Very low	128 Å²	128	163.6 Å²	163.6	83%	0.831	79%	0.787	S	S	*	*				-138.6	158.4	101.3	27.5	-9.2	0	0	0	115.2
47	R	24.2	Very low	25.7	Very low	231 Å²	231	165.9 Å²	165.9	87%	0.872	79%	0.791	S	S	*	*			trans	-57.3	149.8	172.6	-68.6	171.2	167.6	169.4	-4.9	112.8
48	Y	23.1	Very low	25.6	Very low	238 Å²	238	168.3 Å²	168.3	93%	0.933	80%	0.798	S	S	*	*				-156.4	141	129.7	-114.8	-82	0	0	0	112
49	N	22.9	Very low	25.6	Very low	151 Å²	151	162.8 Å²	162.8	81%	0.807	80%	0.8	S	S	*	*			trans	-78.8	149.5	-177.2	-79.1	-29.4	0	0	0	114.1
50	K	23.9	Very low	25.7	Very low	204 Å²	204	166.7 Å²	166.7	89%	0.887	81%	0.808	S	S	*	*			trans	-177.6	107	132.4	-109.5	177.3	171.8	178.2	0	107.8
51	A	22.9	Very low	25.9	Very low	83 Å²	83	165.4 Å²	165.4	69%	0.686	81%	0.809	S	S	*	*				70.4	104.5	75.1	0	0	0	0	0	113.4
52	Y	25.4	Very low	26	Very low	233 Å²	233	162.7 Å²	162.7	91%	0.914	81%	0.811	S	S	*	*			trans	-168.4	97.5	142.5	-90	-72.5	0	0	0	104.7
53	D	24.7	Very low	26.4	Very low	138 Å²	138	166.3 Å²	166.3	74%	0.738	82%	0.823	S	S	*	*				74.3	117.1	79.8	-147.5	11	0	0	0	112.9	H55	D53-H55 IonicContact OD1-CD2 3.39Å; D53-H55 PolarHBondContact OD1-CD2 2.67Å; D53-H55 IonicContact OD1-NE2 3.93Å
54	G	24.5	Very low	26.5	Very low	77 Å²	77	165.1 Å²	165.1	79%	0.794	83%	0.826	S	S	*	*			trans	-173.2	81.2	-169.5	0	0	0	0	0	110
55	H	25.3	Very low	26.7	Very low	148 Å²	148	166 Å²	166	69%	0.685	83%	0.83	S	S	*	*			trans	-76.2	135.3	-178.4	-93.6	-100.2	0	0	0	113	D53	D53-H55 IonicContact OD1-CD2 3.39Å; D53-H55 PolarHBondContact OD1-CD2 2.67Å; D53-H55 IonicContact OD1-NE2 3.93Å
56	Y	25.3	Very low	27	Very low	184 Å²	184	168.8 Å²	168.8	72%	0.722	84%	0.835	S	S	*	*			trans	71.4	112.6	140.8	-84.1	-112.1	0	0	0	119.4
57	L	27	Very low	27	Very low	133 Å²	133	170.4 Å²	170.4	70%	0.696	84%	0.837	S	S	*	*				67.4	91.2	71.4	-71.3	168.6	0	0	0	113.1
58	E	26.4	Very low	27.1	Very low	189 Å²	189	164.8 Å²	164.8	88%	0.883	83%	0.833	S	S	*	*			trans	-163.9	89	146.9	-122.7	176.4	-174.5	0	0	110.9
59	A	27.2	Very low	27.3	Very low	105 Å²	105	162.9 Å²	162.9	87%	0.868	83%	0.832	S	S	*	*			trans	-166.5	35.4	158.7	0	0	0	0	0	111.3
60	R	31.1	Very low	27.4	Very low	245 Å²	245	164.7 Å²	164.7	93%	0.925	84%	0.836	S	S	*	*			trans	-128.1	74.4	173.6	-82.5	-167.6	178.7	-177.2	1.9	109.9
61	S	31.1	Very low	27.4	Very low	113 Å²	113	163.9 Å²	163.9	79%	0.79	83%	0.832	S	S	*	*	S	Bend	trans	-168.8	96.7	152.2	-176.4	0	0	0	0	107.7
62	L	30.2	Very low	27.5	Very low	165 Å²	165	170.8 Å²	170.8	86%	0.864	84%	0.842	S	S	*	*	S	Bend	trans	-176.1	-11	160	-101.6	159.3	0	0	0	112
63	N	32.2	Very low	27.5	Very low	171 Å²	171	165.9 Å²	165.9	91%	0.914	84%	0.836	S	S	*	*	S	Bend	trans	-103.3	26.4	176.8	-81.2	-8.8	0	0	0	115.1
64	Q	29.6	Very low	27.5	Very low	192 Å²	192	164.6 Å²	164.6	90%	0.897	84%	0.837	S	S	*	*			trans	-119.2	76	166.6	-87.4	-178.4	-5.8	0	0	109.4
65	R	29.9	Very low	27.5	Very low	244 Å²	244	169.2 Å²	169.2	92%	0.921	84%	0.838	S	S	*	*	S	Bend	trans	-162.9	23.3	162.5	-114.3	170	-167.7	-166.8	2.5	115.9
66	L	30.9	Very low	27.4	Very low	173 Å²	173	170.3 Å²	170.3	91%	0.906	84%	0.843	S	S	*	*	S	Bend	trans	-136	31	176.7	-78.2	174.7	0	0	0	113.9
67	D	29.6	Very low	27.3	Very low	162 Å²	162	165.8 Å²	165.8	87%	0.866	84%	0.838	S	S	*	*	S	Bend	trans	-145.4	45.6	178.8	-118.9	-5.6	0	0	0	113
68	S	26.3	Very low	27.2	Very low	113 Å²	113	166.4 Å²	166.4	79%	0.79	84%	0.842	S	S	*	*			trans	-152.8	79	170.7	-55.8	0	0	0	0	110.5
69	Q	26.2	Very low	27.2	Very low	197 Å²	197	163.8 Å²	163.8	92%	0.921	83%	0.834	S	S	*	*			trans	177.3	88.3	145.1	-101.5	168	-3.6	0	0	110.6
70	E	25.2	Very low	27.2	Very low	189 Å²	189	165.2 Å²	165.2	88%	0.883	83%	0.831	S	S	*	*			trans	-141.8	141.2	147.4	-95.2	-170	172.4	0	0	108.7
71	K	24.8	Very low	27	Very low	187 Å²	187	157.9 Å²	157.9	81%	0.813	82%	0.823	S	S	*	*			trans	86.3	98.9	-174.3	-57.9	-179.4	177	-178.9	0	115
72	Y	25.3	Very low	26.8	Very low	229 Å²	229	157.5 Å²	157.5	90%	0.898	82%	0.82	S	S	*	*				-163	146.9	91	-91.4	-79.6	0	0	0	110.1
73	T	25.4	Very low	26.6	Very low	129 Å²	129	157.2 Å²	157.2	79%	0.791	82%	0.819	S	S	*	*			trans	-88.4	147.3	-175.3	42.1	0	0	0	0	113.3
74	C	23.5	Very low	26.3	Very low	112 Å²	112	155.5 Å²	155.5	76%	0.757	81%	0.81	S	S	*	*			trans	56.3	116.8	141	-149	0	0	0	0	120
75	E	24.3	Very low	26.3	Very low	174 Å²	174	153.1 Å²	153.1	81%	0.813	80%	0.803	S	S	*	*				175.5	131.1	102.8	-92.6	-173.3	162.4	0	0	113.4
76	H	24.8	Very low	26.1	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.787	79%	0.792	S	S	*	*			trans	47.1	126.8	139.9	-98.5	-76.5	0	0	0	125.1
77	S	23.4	Very low	26	Very low	89 Å²	89	147.9 Å²	147.9	62%	0.622	79%	0.794	S	S	*	*			trans	106.5	106.2	130.4	-66.7	0	0	0	0	120
78	L	24.8	Very low	25.9	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	79%	0.788	S	S	*	*				66.3	129.8	121.1	-67.1	172.4	0	0	0	122
79	D	25.7	Very low	26	Very low	135 Å²	135	147.4 Å²	147.4	72%	0.722	78%	0.782	S	S	*	*			trans	87	117.7	139.5	-62.4	-20.5	0	0	0	121.6
80	V	28	Very low	26.2	Very low	134 Å²	134	142.5 Å²	142.5	81%	0.812	77%	0.766	S	S	*	*				133.6	122	119.4	-173.8	0	0	0	0	113
81	A	26.5	Very low	26.3	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	76%	0.763	S	S	*	*			trans	-91.3	142.8	167.6	0	0	0	0	0	111.6
82	C	25.6	Very low	26.4	Very low	105 Å²	105	143.2 Å²	143.2	71%	0.709	76%	0.762	S	S	*	*			trans	-178.1	123.8	144.8	44.4	0	0	0	0	108.5
83	N	27	Very low	26.5	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	76%	0.758	S	S	*	*				63.1	140	108.2	-64.5	1.1	0	0	0	113
84	D	26.3	Very low	26.6	Very low	135 Å²	135	145 Å²	145	72%	0.722	76%	0.76	S	S	*	*			cis	-169	-179.6	21.8	-159.1	1.5	0	0	0	108.1
85	D	28.7	Very low	26.8	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	76%	0.76	S	S	*	*			trans	93.8	106.1	152.9	-61.6	-37.4	0	0	0	119
86	G	25.1	Very low	26.9	Very low	67 Å²	67	145.9 Å²	145.9	69%	0.691	76%	0.762	S	S	*	*			trans	-83.8	177	166.4	0	0	0	0	0	113.5
87	Y	28.9	Very low	27	Very low	241 Å²	241	144.2 Å²	144.2	95%	0.945	76%	0.759	S	S	*	*			trans	-168.3	134.7	141.5	-117.2	-86.8	0	0	0	108.8
88	D	28.3	Very low	27	Very low	138 Å²	138	151.3 Å²	151.3	74%	0.738	77%	0.772	S	S	*	*			trans	-71.6	142.3	167.8	-174.8	23.3	0	0	0	109.7
89	D	27.4	Very low	27.1	Very low	126 Å²	126	151.1 Å²	151.1	67%	0.674	77%	0.767	S	S	*	*				179.1	146.8	119	-139.6	-25	0	0	0	112.7
90	T	31.3	Very low	27.1	Very low	95 Å²	95	151.9 Å²	151.9	58%	0.583	77%	0.766	S	S	*	*			trans	-59.3	159.5	170.1	55.1	0	0	0	0	114.3
91	Y	26.9	Very low	26.9	Very low	208 Å²	208	155.9 Å²	155.9	82%	0.816	77%	0.768	S	S	*	*			trans	169.8	160	130.3	-96.7	-75.8	0	0	0	113.9
92	K	27.7	Very low	26.8	Very low	182 Å²	182	155.8 Å²	155.8	79%	0.791	76%	0.762	S	S	*	*			trans	-77.9	163.1	-162.6	-69.1	161	171.4	169.8	0	116.4
93	E	27.3	Very low	26.8	Very low	174 Å²	174	160.2 Å²	160.2	81%	0.813	77%	0.769	S	S	*	*			trans	-13.5	136.3	149.9	-73.1	178	147.6	0	0	117.9
94	R	27.4	Very low	26.9	Very low	223 Å²	223	158 Å²	158	84%	0.842	77%	0.766	S	S	*	*				-176	150.9	100.4	-130.4	176.7	-92.2	-156.3	-7.7	114.5
95	D	27.3	Very low	27.1	Very low	141 Å²	141	157.1 Å²	157.1	75%	0.754	77%	0.771	S	S	*	*			trans	-21.5	143	168	-57	-50.8	0	0	0	120.2
96	L	27.2	Very low	27	Very low	162 Å²	162	153.7 Å²	153.7	85%	0.848	77%	0.768	S	S	*	*			trans	-140.3	116.5	149.1	-80.2	175.9	0	0	0	112
97	D	26.6	Very low	27.2	Very low	136 Å²	136	162.1 Å²	162.1	73%	0.727	78%	0.779	S	S	*	*			trans	-69.6	142.4	167.1	-130.9	-11.7	0	0	0	110.6
98	W	23.6	Very low	27.3	Very low	237 Å²	237	156.2 Å²	156.2	90%	0.898	77%	0.773	S	S	*	*			trans	-143.7	113.5	160.1	-82.5	103.7	0	0	0	110.7
99	H	26.5	Very low	27.3	Very low	142 Å²	142	152.9 Å²	152.9	66%	0.657	77%	0.771	S	S	*	*			trans	-118.1	143.2	174	-104.6	-59	0	0	0	111.2
100	H	25.1	Very low	27.5	Very low	151 Å²	151	159 Å²	159	70%	0.699	79%	0.785	S	S	*	*			trans	84.1	121.1	154.2	-66.4	-60.5	0	0	0	121.1
101	Y	23.7	Very low	27.5	Very low	218 Å²	218	158.9 Å²	158.9	86%	0.855	79%	0.788	S	S	*	*				-144.6	131	118.8	-137.2	-94.7	0	0	0	112.3
102	S	25.9	Very low	27.7	Very low	90 Å²	90	160.2 Å²	160.2	63%	0.629	79%	0.792	S	S	*	*			trans	-94.2	155.8	175.5	-50.9	0	0	0	0	110.5
103	K	25.6	Very low	27.8	Very low	198 Å²	198	162.2 Å²	162.2	86%	0.861	80%	0.795	S	S	*	*			trans	-143.3	129.3	145	-86.4	-165.6	179.3	171.5	0	112.8
104	S	28.4	Very low	28	Very low	111 Å²	111	159.3 Å²	159.3	78%	0.776	79%	0.793	S	S	*	*			trans	-68.2	170.4	170	49	0	0	0	0	111.8
105	S	31.2	Very low	28.2	Very low	118 Å²	118	153.5 Å²	153.5	83%	0.825	79%	0.787	S	S	*	*				173.4	166	53.2	50.8	0	0	0	0	106.7
106	G	26.2	Very low	28.4	Very low	69 Å²	69	156.2 Å²	156.2	71%	0.711	79%	0.786	S	S	*	*			cis	168.7	-152.3	11.4	0	0	0	0	0	113
107	R	29.3	Very low	28.7	Very low	244 Å²	244	157 Å²	157	92%	0.921	78%	0.778	S	S	*	*			trans	88.6	104.2	169.5	-67.4	-172.6	175.9	-137.6	-0.2	117.2
108	S	31.4	Very low	29.1	Very low	117 Å²	117	157.5 Å²	157.5	82%	0.818	78%	0.776	S	S	*	*				86.3	135.9	77.1	70.9	0	0	0	0	112.5
109	G	27.8	Very low	29.5	Very low	68 Å²	68	156.2 Å²	156.2	70%	0.701	77%	0.771	S	S	*	*			cis	149.9	154.7	6.4	0	0	0	0	0	109.6
110	R	30.5	Very low	29.8	Very low	255 Å²	255	156.2 Å²	156.2	96%	0.962	78%	0.776	S	S	*	*			trans	95.8	148.3	171.3	-58.6	178.3	173.7	-148.6	-0.3	117.4
111	S	31.7	Very low	30.2	Very low	93 Å²	93	160.7 Å²	160.7	65%	0.65	79%	0.787	S	S	*	*			cis	-178.4	143.2	-29	65.8	0	0	0	0	109.4
112	R	31.3	Very low	30.7	Very low	235 Å²	235	161 Å²	161	89%	0.887	79%	0.786	S	S	*	*			trans	64.1	145.2	153.6	-63.4	174.6	171.8	179.6	-1.9	117
113	R	29.9	Very low	31.1	Very low	225 Å²	225	164.6 Å²	164.6	85%	0.849	79%	0.793	S	S	*	*			cis	-171.7	154.3	29.9	-140	175.8	-172.2	-176	1.4	111.5
114	S	30.7	Very low	31.4	Very low	113 Å²	113	165.8 Å²	165.8	79%	0.79	79%	0.792	S	S	*	*			trans	71.9	147.5	151.4	92.1	0	0	0	0	118.5
115	S	31.8	Very low	31.7	Very low	100 Å²	100	171.2 Å²	171.2	70%	0.699	80%	0.795	S	S	*	*			cis	-164.8	151.3	10	60.7	0	0	0	0	112.1
116	R	33	Very low	31.7	Very low	199 Å²	199	171.4 Å²	171.4	75%	0.751	80%	0.797	S	S	*	*			trans	62.1	120.9	136.3	-78.1	-179.1	173.6	168.3	-1.2	123.5
117	R	33.7	Very low	32	Very low	177 Å²	177	176.3 Å²	176.3	67%	0.668	80%	0.801	S	S	*	*				87.9	110.8	124.2	-72.5	178.2	178.8	-175.9	-1.3	118.3
118	Q	33.8	Very low	32.2	Very low	147 Å²	147	169.3 Å²	169.3	69%	0.687	79%	0.789	S	S	*	*				101.2	138.9	102.2	-84.9	-178.3	-12.8	0	0	109.4
119	R	31.9	Very low	32.3	Very low	211 Å²	211	174.6 Å²	174.6	80%	0.796	79%	0.791	S	S	*	*			cis	-163.7	151	24.6	-130.7	169.4	-175.4	-170.5	2.1	109.7
120	D	33.5	Very low	32.6	Very low	142 Å²	142	180 Å²	180	76%	0.759	80%	0.798	S	S	*	*			trans	-55.2	157.9	169.7	-61.5	-74.1	0	0	0	115.2
121	R	33.5	Very low	32.7	Very low	245 Å²	245	179.9 Å²	179.9	93%	0.925	80%	0.798	S	S	*	*				-167.9	119	112.1	-99.1	164	-171.9	-174.9	1.9	112.4
122	R	33.5	Very low	32.8	Very low	225 Å²	225	180.6 Å²	180.6	85%	0.849	80%	0.802	S	S	*	*			trans	-86.5	153.6	162.1	-71.6	178.4	172.7	-169.8	-1.9	110
123	H	35.5	Very low	33	Very low	165 Å²	165	174.8 Å²	174.8	76%	0.764	80%	0.798	S	S	*	*			trans	152.2	143.8	142.6	-81.2	-39.1	0	0	0	108.4
124	R	31.5	Very low	33.2	Very low	223 Å²	223	169.4 Å²	169.4	84%	0.842	80%	0.795	S	S	*	*			cis	-162.3	161.5	8.5	-116.8	167.7	-171.3	-170.1	0.7	107.8
125	R	33.8	Very low	33.6	Very low	224 Å²	224	176.2 Å²	176.2	85%	0.845	80%	0.803	S	S	*	*			trans	-77.5	155.8	176.5	-63	169.5	169	170.9	-5.1	112.2
126	S	31.6	Very low	33.9	Very low	122 Å²	122	181.8 Å²	181.8	85%	0.853	81%	0.809	S	S	*	*			trans	-156.4	142.3	141.2	4.2	0	0	0	0	112.5
127	H	33.4	Very low	34.1	Very low	172 Å²	172	177.5 Å²	177.5	80%	0.796	81%	0.81	S	S	*	*			trans	-69.5	169	-179.5	-54.6	-66.5	0	0	0	112
128	S	32.5	Very low	34.4	Very low	97 Å²	97	177.1 Å²	177.1	68%	0.678	82%	0.815	S	S	*	*			cis	-176.1	153.8	38.1	80.8	0	0	0	0	113.2
129	R	33.2	Very low	34.8	Very low	228 Å²	228	178.2 Å²	178.2	86%	0.86	82%	0.82	S	S	*	*			trans	68.1	112.8	137.5	-67.7	173.2	-176.3	-172.4	1.6	123.4
130	H	35	Very low	35.2	Very low	183 Å²	183	179.4 Å²	179.4	85%	0.847	82%	0.824	S	S	*	*			trans	24.4	127.7	135	-62.9	-56.7	0	0	0	122.1
131	R	31.7	Very low	35.7	Very low	252 Å²	252	183.4 Å²	183.4	95%	0.951	83%	0.829	S	S	*	*				-149.1	142.3	127.2	-100.6	176.6	-168.1	-155.2	1.8	110.9
132	S	33.9	Very low	36.3	Very low	107 Å²	107	176.8 Å²	176.8	75%	0.748	82%	0.82	S	S	*	*			trans	-88.5	159.7	-171.3	36.3	0	0	0	0	114
133	S	34.7	Very low	36.9	Very low	113 Å²	113	177.2 Å²	177.2	79%	0.79	82%	0.822	S	S	*	*			trans	64.7	105.9	152.7	65.7	0	0	0	0	120.4
134	S	34.1	Very low	37.6	Very low	113 Å²	113	178.9 Å²	178.9	79%	0.79	83%	0.827	S	S	*	*				-155.5	116.7	108.9	61.8	0	0	0	0	110.4	R136	S134-R136 PolarHBondContact O-N 2.73Å
135	R	41.1	Very low	38.5	Very low	255 Å²	255	179.3 Å²	179.3	96%	0.962	83%	0.829	S	S	*	*			trans	-76.8	106.8	169.3	-76.9	177.6	171.1	176.1	-3.1	107.5
136	R	37.2	Very low	39.7	Very low	217 Å²	217	174.1 Å²	174.1	82%	0.819	83%	0.827	S	S	*	*			trans	-113.3	96.5	154.3	-80	-174	175.3	-177.6	-0.6	107.5	S134 H138	S134-R136 PolarHBondContact O-N 2.73Å; R136-H138 VanDerWaalsContact C-N 3.31Å; R136-H138 PolarHBondContact O-N 3.05Å
137	S	37	Very low	41.2	Very low	110 Å²	110	176.7 Å²	176.7	77%	0.769	82%	0.818	S	S	*	*			trans	-66.5	91.9	170.2	51.3	0	0	0	0	108.5	Q139	S137-Q139 PolarHBondContact O-N 3.21Å
138	H	39.4	Very low	43.3	Very low	168 Å²	168	172.3 Å²	172.3	78%	0.778	81%	0.807	S	S	*	*			trans	-66.8	92	158.2	-75.8	-66.9	0	0	0	107.1	R136 R140	R136-H138 VanDerWaalsContact C-N 3.31Å; R136-H138 PolarHBondContact O-N 3.05Å; H138-R140 PolarHBondContact O-N 3.25Å
139	Q	42.2	Very low	46	Very low	171 Å²	171	170.1 Å²	170.1	80%	0.799	79%	0.789	S	S	*	*			trans	-59.1	87.7	156.9	-85.8	178.9	-22.1	0	0	106.8	S137 R141	S137-Q139 PolarHBondContact O-N 3.21Å; Q139-R141 PolarHBondContact O-N 3.38Å
140	R	40.4	Very low	48.8	Very low	235 Å²	235	164.3 Å²	164.3	89%	0.887	77%	0.771	S	S	*	*			trans	-63.3	92.2	154.5	-79.5	-172.7	162.8	-167	-4.1	105.1	H138 S142	H138-R140 PolarHBondContact O-N 3.25Å; R140-S142 PolarHBondContact O-N 3.11Å
141	R	44.4	Very low	51.7	Low	226 Å²	226	158.5 Å²	158.5	85%	0.853	75%	0.747	S	S	*	*			trans	-53	98.7	153.8	-81.9	-177.1	168.6	-174.7	-3.8	104.8	Q139 R143	Q139-R141 PolarHBondContact O-N 3.38Å; R141-R143 PolarHBondContact O-N 3.05Å
142	S	45.4	Very low	54.7	Low	107 Å²	107	148.9 Å²	148.9	75%	0.748	71%	0.714	S	S	*	*			trans	-56.2	97.1	164.8	177.1	0	0	0	0	104.9	R140 K144	R140-S142 PolarHBondContact O-N 3.11Å; S142-K144 VanDerWaalsContact C-N 3.25Å; S142-K144 PolarHBondContact O-N 3.2Å
143	R	47.7	Very low	57.5	Low	233 Å²	233	152.4 Å²	152.4	88%	0.879	72%	0.724	S	S	*	*			trans	-54.4	105.9	157.9	-78.4	178.5	165.7	156.7	-4.7	102.9	R141 R145	R141-R143 PolarHBondContact O-N 3.05Å; R143-R145 VanDerWaalsContact C-N 3.29Å; R143-R145 PolarHBondContact O-N 2.91Å
144	K	49.3	Very low	60.3	Low	200 Å²	200	152.8 Å²	152.8	87%	0.87	71%	0.714	S	S	*	*			trans	-47.2	105	170.1	-83.4	178.6	174.9	179.5	0	104.5	S142 S146	S142-K144 VanDerWaalsContact C-N 3.25Å; S142-K144 PolarHBondContact O-N 3.2Å; K144-S146 PolarHBondContact O-N 2.59Å; K144-S146 VanDerWaalsContact O-N 3.14Å
145	R	50.9	Low	63.1	Low	233 Å²	233	147.9 Å²	147.9	88%	0.879	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.2	167.7	-93.9	176.8	146.1	179.5	-8.4	104.2	R143 R147	R143-R145 VanDerWaalsContact C-N 3.29Å; R143-R145 PolarHBondContact O-N 2.91Å; R145-R147 PolarHBondContact O-N 2.94Å
146	S	57.9	Low	65.7	Low	115 Å²	115	136 Å²	136	80%	0.804	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-47.2	118.9	168.2	47.1	0	0	0	0	106.2	K144 S148	K144-S146 PolarHBondContact O-N 2.59Å; K144-S146 VanDerWaalsContact O-N 3.14Å; S146-S148 PolarHBondContact O-N 2.77Å
147	R	64.5	Low	68.6	Low	175 Å²	175	126 Å²	126	66%	0.66	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-53.2	137.4	170.9	-75.9	175.1	165.9	164.6	-10.5	106.7	R145 V149 H160	R145-R147 PolarHBondContact O-N 2.94Å; R147-V149 PolarHBondContact O-N 2.93Å; R147-H160 PolarHBondContact NH1-ND1 3.05Å
148	S	76.6	Confident	71.4	Confident	81 Å²	81	124.5 Å²	124.5	57%	0.566	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-52.5	132.8	167.9	23.7	0	0	0	0	107.8	S146 E150	S146-S148 PolarHBondContact O-N 2.77Å; S148-E150 WeakPolarHBondContact CB-OE1 3.49Å; S148-E150 PolarHBondContact O-N 3.02Å; S148-E150 PolarHBondContact OG-OE1 3.18Å
149	V	88.4	Confident	74	Confident	50 Å²	50	118 Å²	118	30%	0.303	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-69.2	122.8	169.1	-179.9	0	0	0	0	106.2	R147 L157 Y241 H242	R147-V149 PolarHBondContact O-N 2.93Å; V149-L157 HydrophobicContact CG1-CD1 3.52Å; V149-Y241 HydrophobicContact CG1-CE1 3.94Å; V149-Y241 HydrophobicContact CG2-CE1 4.17Å; V149-Y241 WeakPolarHBondContact CG2-OH 3.33Å; V149-H242 HydrophobicContact CG1-CB 3.98Å
150	E	93.9	Very high	76.6	Confident	106 Å²	106	114.2 Å²	114.2	50%	0.495	53%	0.533	S	S	.	.			trans	-132.8	146.6	-172.5	-72.2	171.2	-163.9	0	0	109.5	S148 I158	S148-E150 WeakPolarHBondContact CB-OE1 3.49Å; S148-E150 PolarHBondContact O-N 3.02Å; S148-E150 PolarHBondContact OG-OE1 3.18Å; E150-I158 HydrophobicContact CB-CD1 4.35Å; E150-I158 WeakPolarHBondContact O-CB 2.93Å; E150-I158 PolarHBondContact O-N 3.28Å
151	D	95.4	Very high	79.2	Confident	62 Å²	62	108.2 Å²	108.2	33%	0.332	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-107.5	150	177.9	-57.9	-0	0	0	0	108.4	H156 N203 H244	D151-H156 CarbonylContact C-O 3.51Å; D151-H156 VanDerWaalsContact CA-O 3.25Å; D151-H156 WeakPolarHBondContact CA-O 3.46Å; D151-N203 WeakPolarHBondContact OD2-CB 3.27Å; D151-N203 PolarHBondContact OD2-ND2 3.39Å; D151-H244 IonicContact OD1-CE1 3.51Å; D151-H244 IonicContact OD1-NE2 2.88Å; D151-H244 PolarHBondContact OD1-NE2 2.93Å; D151-H244 IonicContact OD2-CE1 3.92Å; D151-H244 IonicContact OD2-NE2 3.65Å
152	D	93.9	Very high	81.7	Confident	50 Å²	50	99.3 Å²	99.3	27%	0.267	50%	0.497	S	S	.	.			trans	-81	173.8	169.2	69.4	20.2	0	0	0	112.2	E154 G155 H156 I158	D152-E154 PolarHBondContact O-N 3.44Å; D152-E154 WeakPolarHBondContact OD1-CA 3.44Å; D152-E154 PolarHBondContact OD1-N 2.61Å; D152-G155 PolarHBondContact O-N 3.28Å; D152-G155 PolarHBondContact OD1-N 2.59Å; D152-G155 VanDerWaalsContact OD1-N 3.14Å; D152-H156 PolarHBondContact N-O 3.05Å; D152-H156 WeakPolarHBondContact OD1-CB 3.39Å; D152-H156 IonicContact OD1-CD2 3.12Å; D152-H156 PolarHBondContact OD1-N 3.33Å; D152-H156 WeakPolarHBondContact OD2-CB 3.4Å; D152-H156 IonicContact OD2-CD2 3.91Å; D152-H156 IonicContact OD2-CG 3.56Å; D152-I158 HydrophobicContact CB-CD1 4.15Å; D152-I158 HydrophobicContact CB-CG1 4.1Å
153	D	93.6	Very high	84.1	Confident	180 Å²	180	96.5 Å²	96.5	96%	0.963	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.8	-178.8	-64.7	-29.3	0	0	0	113.3
154	E	92.4	Very high	86.4	Confident	122 Å²	122	89 Å²	89	57%	0.57	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	6.6	177.7	-60	-171.8	-169.3	0	0	113.1	D152 K202	D152-E154 PolarHBondContact O-N 3.44Å; D152-E154 WeakPolarHBondContact OD1-CA 3.44Å; D152-E154 PolarHBondContact OD1-N 2.61Å; E154-K202 WeakPolarHBondContact O-CD 3.39Å; E154-K202 PolarHBondContact O-NZ 3.03Å; E154-K202 IonicContact OE2-NZ 3.63Å; E154-K202 PolarHBondContact OE2-NZ 3.24Å
155	G	93.9	Very high	88.6	Confident	10 Å²	10	79.7 Å²	79.7	10%	0.103	41%	0.409	C	S	.	.	S	Bend	trans	74.7	18.6	179.9	0	0	0	0	0	114.1	D152 K202 N203 H244	D152-G155 PolarHBondContact O-N 3.28Å; D152-G155 PolarHBondContact OD1-N 2.59Å; D152-G155 VanDerWaalsContact OD1-N 3.14Å; G155-K202 CarbonylContact O-C 3.59Å; G155-K202 WeakPolarHBondContact O-CA 3.35Å; G155-K202 WeakPolarHBondContact O-CB 3.28Å; G155-N203 PolarHBondContact O-N 3.12Å; G155-H244 PolarHBondContact O-CE1 3.5Å
156	H	96.1	Very high	90.6	Very high	6 Å²	6	73.7 Å²	73.7	3%	0.028	39%	0.39	C	S	.	.			trans	-81.8	144.2	168.8	-68.2	-84.9	0	0	0	111.1	D151 D152 I158 E177 K202	D151-H156 CarbonylContact C-O 3.51Å; D151-H156 VanDerWaalsContact CA-O 3.25Å; D151-H156 WeakPolarHBondContact CA-O 3.46Å; D152-H156 PolarHBondContact N-O 3.05Å; D152-H156 WeakPolarHBondContact OD1-CB 3.39Å; D152-H156 IonicContact OD1-CD2 3.12Å; D152-H156 PolarHBondContact OD1-N 3.33Å; D152-H156 WeakPolarHBondContact OD2-CB 3.4Å; D152-H156 IonicContact OD2-CD2 3.91Å; D152-H156 IonicContact OD2-CG 3.56Å; H156-I158 PolarHBondContact O-N 3.2Å; H156-E177 IonicContact NE2-OE1 3.69Å; H156-K202 VanDerWaalsContact CD2-CE 3.42Å; H156-K202 WeakPolarHBondContact CD2-CE 3.39Å; H156-K202 WeakPolarHBondContact CE1-CE 3.3Å; H156-K202 WeakPolarHBondContact NE2-CE 3.1Å; H156-K202 PolarHBondContact NE2-NZ 2.9Å; H156-K202 VanDerWaalsContact NE2-NZ 3.14Å
157	L	96.6	Very high	92.3	Very high	7 Å²	7	72.3 Å²	72.3	4%	0.037	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-61.4	128.7	167.6	-178.9	64	0	0	0	110.2	V149 Y159 L165 I200 Y241 H244	V149-L157 HydrophobicContact CG1-CD1 3.52Å; L157-Y159 HydrophobicContact CG-CD1 4.45Å; L157-Y159 WeakPolarHBondContact O-CD1 3.02Å; L157-L165 HydrophobicContact CD2-CD2 4.21Å; L157-I200 HydrophobicContact CB-CG2 4.07Å; L157-I200 HydrophobicContact CD2-CD1 4.31Å; L157-I200 HydrophobicContact CD2-CG2 4.05Å; L157-Y241 HydrophobicContact CD1-CE1 4.3Å; L157-Y241 HydrophobicContact CD2-CD1 4.06Å; L157-Y241 HydrophobicContact CD2-CE1 4.12Å; L157-H244 PolarHBondContact N-CE1 2.94Å
158	I	96.1	Very high	93.9	Very high	77 Å²	77	66 Å²	66	40%	0.395	36%	0.361	S	S	.	.			trans	-85.4	115.6	170.5	-58	174.9	0	0	0	108.5	E150 D152 H156	E150-I158 HydrophobicContact CB-CD1 4.35Å; E150-I158 WeakPolarHBondContact O-CB 2.93Å; E150-I158 PolarHBondContact O-N 3.28Å; D152-I158 HydrophobicContact CB-CD1 4.15Å; D152-I158 HydrophobicContact CB-CG1 4.1Å; H156-I158 PolarHBondContact O-N 3.2Å
159	Y	95.3	Very high	94.9	Very high	33 Å²	33	62.1 Å²	62.1	13%	0.129	33%	0.334	C	S	.	.			trans	-136.9	164.7	178.9	65.3	-96.8	0	0	0	112	L157 I171 T174 K182 V184 I200	L157-Y159 HydrophobicContact CG-CD1 4.45Å; L157-Y159 WeakPolarHBondContact O-CD1 3.02Å; Y159-I171 HydrophobicContact CD1-CD1 4.4Å; Y159-I171 HydrophobicContact CD2-CD1 3.64Å; Y159-I171 HydrophobicContact CD2-CG2 3.91Å; Y159-I171 HydrophobicContact CE2-CD1 4.35Å; Y159-I171 HydrophobicContact CE2-CG2 4.01Å; Y159-I171 HydrophobicContact CG-CD1 3.68Å; Y159-T174 PolarHBondContact OH-OG1 3.11Å; Y159-K182 HydrophobicContact CE1-CB 4.33Å; Y159-K182 HydrophobicContact CE1-CD 3.71Å; Y159-V184 HydrophobicContact CE1-CG1 4.07Å; Y159-V184 HydrophobicContact CE2-CG1 3.61Å; Y159-V184 WeakPolarHBondContact OH-CG1 3.26Å; Y159-I200 HydrophobicContact CE1-CD1 4.47Å
160	H	95.3	Very high	95.4	Very high	90 Å²	90	62.4 Å²	62.4	42%	0.417	33%	0.332	S	S	.	.			trans	-130	158.3	175.5	-54.6	79.6	0	0	0	110.7	R147 G162 D163	R147-H160 PolarHBondContact NH1-ND1 3.05Å; H160-G162 PolarHBondContact O-N 3.44Å; H160-D163 IonicContact CG-OD2 3.96Å; H160-D163 PolarHBondContact N-OD2 3.33Å; H160-D163 IonicContact ND1-OD2 3.49Å; H160-D163 PolarHBondContact ND1-OD2 3.32Å; H160-D163 VanDerWaalsContact O-CB 3.25Å; H160-D163 WeakPolarHBondContact O-CB 3.3Å; H160-D163 PolarHBondContact O-N 2.87Å
161	N	96.3	Very high	95.6	Very high	109 Å²	109	57.4 Å²	57.4	58%	0.583	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	132.3	171.7	-60.3	1.2	0	0	0	109.9	I171 L172	N161-I171 CarbonylContact C-O 3.4Å; N161-L172 WeakPolarHBondContact CB-O 3.44Å; N161-L172 PolarHBondContact ND2-O 3.03Å; N161-L172 PolarHBondContact OD1-O 3.23Å
162	G	95.8	Very high	95.7	Very high	40 Å²	40	56.6 Å²	56.6	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-1.4	-173.3	0	0	0	0	0	114.6	H160 I171	H160-G162 PolarHBondContact O-N 3.44Å; G162-I171 PolarHBondContact N-O 2.94Å
163	D	95.9	Very high	95.9	Very high	48 Å²	48	56.3 Å²	56.3	26%	0.257	31%	0.306	S	S	.	.			trans	-71	142	172.6	-72.5	-15	0	0	0	110.4	H160 I171	H160-D163 IonicContact CG-OD2 3.96Å; H160-D163 PolarHBondContact N-OD2 3.33Å; H160-D163 IonicContact ND1-OD2 3.49Å; H160-D163 PolarHBondContact ND1-OD2 3.32Å; H160-D163 VanDerWaalsContact O-CB 3.25Å; H160-D163 WeakPolarHBondContact O-CB 3.3Å; H160-D163 PolarHBondContact O-N 2.87Å; D163-I171 PolarHBondContact O-N 3.05Å
164	M	95.7	Very high	96	Very high	76 Å²	76	50.9 Å²	50.9	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.7	-177.6	-69.8	-68.3	-65.1	0	0	110.7	Y169 E170	M164-Y169 CarbonylContact C-O 3.56Å; M164-Y169 WeakPolarHBondContact CA-O 3.35Å; M164-E170 HydrophobicContact SD-CB 3.44Å; M164-E170 WeakPolarHBondContact SD-CB 3.23Å; M164-E170 HydrophobicContact SD-CG 3.82Å
165	L	95.5	Very high	96.2	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.8	173	-82.7	61.7	0	0	0	109.6	L157 A167 R168 Y169 I171 L198 I200 F239 Y241	L157-L165 HydrophobicContact CD2-CD2 4.21Å; L165-A167 PolarHBondContact O-N 2.69Å; L165-R168 PolarHBondContact O-N 3.23Å; L165-Y169 PolarHBondContact N-O 3.23Å; L165-Y169 PolarHBondContact O-N 3.23Å; L165-I171 HydrophobicContact CD1-CD1 3.48Å; L165-I171 VanDerWaalsContact CD1-CD1 3.48Å; L165-I171 HydrophobicContact CD1-CG1 3.98Å; L165-I171 HydrophobicContact CD2-CD1 4.36Å; L165-L198 HydrophobicContact CD2-CD2 3.78Å; L165-I200 HydrophobicContact CD2-CD1 3.84Å; L165-I200 HydrophobicContact CD2-CG1 4.47Å; L165-F239 HydrophobicContact CB-CZ 4.49Å; L165-Y241 HydrophobicContact CD2-CD1 4.46Å; L165-Y241 HydrophobicContact CG-CD1 4.25Å; L165-Y241 HydrophobicContact CG-CE1 4.06Å; L165-Y241 HydrophobicContact CG-CE2 4.49Å
166	K	94.1	Very high	96.1	Very high	107 Å²	107	50.3 Å²	50.3	47%	0.465	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	25.4	-177.9	-160.9	-178.4	172.9	-175.7	0	113.6	R168 D237 F239	K166-R168 PolarHBondContact O-N 3.25Å; K166-D237 IonicContact NZ-OD2 2.85Å; K166-F239 HydrophobicContact CB-CE2 4.3Å; K166-F239 HydrophobicContact CD-CB 4.21Å; K166-F239 HydrophobicContact CD-CD1 4.23Å; K166-F239 HydrophobicContact CD-CD2 4.12Å; K166-F239 HydrophobicContact CD-CG 3.94Å
167	A	94.2	Very high	95.9	Very high	85 Å²	85	56.1 Å²	56.1	70%	0.702	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	21.5	-171.9	0	0	0	0	0	114.7	L165	L165-A167 PolarHBondContact O-N 2.69Å
168	R	96.9	Very high	95.4	Very high	43 Å²	43	57.7 Å²	57.7	16%	0.162	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-46.6	-174.5	175.7	-179.2	175.7	-173.3	-7.7	112.5	L165 K166 D188 H189 D190 D237	L165-R168 PolarHBondContact O-N 3.23Å; K166-R168 PolarHBondContact O-N 3.25Å; R168-D188 VanDerWaalsContact CG-OD1 3.24Å; R168-D188 WeakPolarHBondContact CG-OD1 3.45Å; R168-D188 IonicContact CZ-OD1 3.43Å; R168-D188 IonicContact CZ-OD2 2.69Å; R168-D188 IonicContact NE-OD1 3.49Å; R168-D188 PolarHBondContact NE-OD1 3.29Å; R168-D188 IonicContact NE-OD2 2.78Å; R168-D188 PolarHBondContact NE-OD2 2.91Å; R168-D188 IonicContact NH2-OD1 3.75Å; R168-D188 IonicContact NH2-OD2 3.92Å; R168-D188 PolarHBondContact NH2-OD2 3.38Å; R168-H189 WeakPolarHBondContact O-CB 3.22Å; R168-H189 PolarHBondContact O-CD2 3.38Å; R168-H189 PolarHBondContact O-N 3.21Å; R168-D190 WeakPolarHBondContact CD-OD2 3.33Å; R168-D190 HydrophobicContact CG-CB 3.98Å; R168-D190 IonicContact NE-OD2 3.88Å; R168-D237 IonicContact CZ-OD2 3.47Å; R168-D237 IonicContact NH1-OD2 2.92Å; R168-D237 PolarHBondContact NH1-OD2 3.21Å
169	Y	98.2	Very high	95	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.9	-174.1	-61.2	-75.1	0	0	0	110.8	M164 L165 C186 I187 D188 V196 D237 F239 A248	M164-Y169 CarbonylContact C-O 3.56Å; M164-Y169 WeakPolarHBondContact CA-O 3.35Å; L165-Y169 PolarHBondContact N-O 3.23Å; L165-Y169 PolarHBondContact O-N 3.23Å; Y169-C186 HydrophobicContact CD1-CB 4.44Å; Y169-I187 WeakPolarHBondContact CA-O 3.4Å; Y169-D188 HydrophobicContact CD1-CB 4.14Å; Y169-D188 HydrophobicContact CE1-CB 3.96Å; Y169-V196 HydrophobicContact CD1-CG2 3.94Å; Y169-V196 HydrophobicContact CE1-CG2 4.07Å; Y169-D237 WeakPolarHBondContact OH-CB 3.49Å; Y169-D237 PolarHBondContact OH-OD2 3.28Å; Y169-F239 AromaticContact CD2-CE1 3.59Å; Y169-F239 HydrophobicContact CD2-CE1 3.59Å; Y169-F239 AromaticContact CD2-CZ 3.65Å; Y169-F239 HydrophobicContact CD2-CZ 3.65Å; Y169-F239 HydrophobicContact CE2-CD1 4.03Å; Y169-F239 AromaticContact CE2-CE1 3.27Å; Y169-F239 HydrophobicContact CE2-CE1 3.27Å; Y169-F239 AromaticContact CE2-CZ 3.85Å; Y169-F239 HydrophobicContact CE2-CZ 3.85Å; Y169-A248 HydrophobicContact CE1-CB 4.37Å
170	E	98.1	Very high	94.6	Very high	56 Å²	56	59.1 Å²	59.1	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.9	174.8	-171.7	179.5	169.5	0	0	110.4	M164 L172 C186 I187 H189	M164-E170 HydrophobicContact SD-CB 3.44Å; M164-E170 WeakPolarHBondContact SD-CB 3.23Å; M164-E170 HydrophobicContact SD-CG 3.82Å; E170-L172 PolarHBondContact O-N 3.06Å; E170-C186 CarbonylContact O-C 3.55Å; E170-C186 WeakPolarHBondContact O-CA 3.31Å; E170-C186 WeakPolarHBondContact O-CB 3.31Å; E170-I187 HydrophobicContact CB-CB 4.25Å; E170-I187 PolarHBondContact N-O 3.29Å; E170-I187 PolarHBondContact O-N 2.94Å; E170-H189 IonicContact OE2-CE1 2.75Å; E170-H189 PolarHBondContact OE2-CE1 2.91Å; E170-H189 IonicContact OE2-NE2 3.66Å; E170-H189 PolarHBondContact OE2-NE2 3.45Å
171	I	98.3	Very high	94.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	123.4	179.2	-63.2	178.9	0	0	0	110.5	Y159 N161 G162 D163 L165 V184 I200	Y159-I171 HydrophobicContact CD1-CD1 4.4Å; Y159-I171 HydrophobicContact CD2-CD1 3.64Å; Y159-I171 HydrophobicContact CD2-CG2 3.91Å; Y159-I171 HydrophobicContact CE2-CD1 4.35Å; Y159-I171 HydrophobicContact CE2-CG2 4.01Å; Y159-I171 HydrophobicContact CG-CD1 3.68Å; N161-I171 CarbonylContact C-O 3.4Å; G162-I171 PolarHBondContact N-O 2.94Å; D163-I171 PolarHBondContact O-N 3.05Å; L165-I171 HydrophobicContact CD1-CD1 3.48Å; L165-I171 VanDerWaalsContact CD1-CD1 3.48Å; L165-I171 HydrophobicContact CD1-CG1 3.98Å; L165-I171 HydrophobicContact CD2-CD1 4.36Å; I171-V184 HydrophobicContact CD1-CG2 4.38Å; I171-V184 HydrophobicContact CG1-CG2 4.17Å; I171-V184 HydrophobicContact CG2-CB 4.16Å; I171-V184 HydrophobicContact CG2-CG1 4.29Å; I171-V184 HydrophobicContact CG2-CG2 4.47Å; I171-I200 HydrophobicContact CD1-CD1 4.45Å
172	L	97.8	Very high	94.6	Very high	45 Å²	45	51.5 Å²	51.5	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-51.7	175.4	-64.6	-175.8	0	0	0	112.5	N161 E170 E185 I187	N161-L172 WeakPolarHBondContact CB-O 3.44Å; N161-L172 PolarHBondContact ND2-O 3.03Å; N161-L172 PolarHBondContact OD1-O 3.23Å; E170-L172 PolarHBondContact O-N 3.06Å; L172-E185 HydrophobicContact CD1-CG 4.38Å; L172-E185 PolarHBondContact N-O 3.1Å; L172-I187 HydrophobicContact CD1-CD1 4.13Å; L172-I187 HydrophobicContact CD1-CG1 3.69Å; L172-I187 HydrophobicContact CD2-CD1 3.83Å; L172-I187 HydrophobicContact CD2-CG1 3.97Å; L172-I187 HydrophobicContact CG-CD1 4.34Å; L172-I187 HydrophobicContact CG-CG1 3.94Å
173	C	97.5	Very high	94.7	Very high	45 Å²	45	51.8 Å²	51.8	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	165.5	-178.7	70.5	0	0	0	0	111.3	V184 E185	C173-V184 CarbonylContact O-C 3.56Å; C173-V184 VanDerWaalsContact O-CA 3.3Å; C173-V184 WeakPolarHBondContact O-CA 3.29Å; C173-V184 WeakPolarHBondContact O-CB 3.05Å; C173-E185 PolarHBondContact O-N 2.92Å
174	T	97.2	Very high	94.8	Very high	65 Å²	65	49.5 Å²	49.5	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.6	172.2	-53.6	0	0	0	0	110.1	Y159 G176	Y159-T174 PolarHBondContact OH-OG1 3.11Å; T174-G176 WeakPolarHBondContact CG2-O 3.36Å
175	L	95.3	Very high	94.9	Very high	88 Å²	88	46.9 Å²	46.9	46%	0.461	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-40	174.8	-64	174.8	0	0	0	111.3	V183 E185 A197 L251	L175-V183 HydrophobicContact CB-CG1 4.33Å; L175-V183 HydrophobicContact CD1-CG1 4.21Å; L175-V183 PolarHBondContact N-O 2.89Å; L175-E185 HydrophobicContact CD1-CB 4Å; L175-E185 HydrophobicContact CD2-CB 3.96Å; L175-E185 HydrophobicContact CG-CB 3.9Å; L175-A197 HydrophobicContact CD1-CB 4Å; L175-L251 HydrophobicContact CD1-CD1 3.77Å
176	G	92.9	Very high	95	Very high	32 Å²	32	46.7 Å²	46.7	33%	0.33	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	161.7	-178.6	0	0	0	0	0	113.3	T174 V183	T174-G176 WeakPolarHBondContact CG2-O 3.36Å; G176-V183 PolarHBondContact N-O 3.02Å; G176-V183 VanDerWaalsContact N-O 3.1Å; G176-V183 PolarHBondContact O-N 2.96Å
177	E	92.1	Very high	95.2	Very high	128 Å²	128	43.5 Å²	43.5	60%	0.598	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	135.1	177.5	178.8	169.5	-168.3	0	0	108.9	H156 K182	H156-E177 IonicContact NE2-OE1 3.69Å; E177-K182 HydrophobicContact CB-CG 4.17Å; E177-K182 VanDerWaalsContact CD-CE 3.44Å; E177-K182 HydrophobicContact CG-CG 3.86Å; E177-K182 WeakPolarHBondContact OE1-CE 3.07Å; E177-K182 IonicContact OE1-NZ 3.84Å
178	G	86.1	Confident	95.4	Very high	41 Å²	41	39.6 Å²	39.6	42%	0.423	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-178.1	-179.2	0	0	0	0	0	111.8	F180 G181	G178-F180 PolarHBondContact O-N 3.11Å; G178-F180 VanDerWaalsContact O-N 3.12Å; G178-G181 PolarHBondContact N-O 2.91Å; G178-G181 PolarHBondContact O-N 2.91Å; G178-G181 VanDerWaalsContact O-N 3.14Å; G178-G181 VanDerWaalsContact O-O 3.06Å
179	A	85.6	Confident	95.4	Very high	53 Å²	53	42 Å²	42	44%	0.438	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.2	-176.1	0	0	0	0	0	113.5	K202	A179-K202 WeakPolarHBondContact O-CD 3.37Å; A179-K202 VanDerWaalsContact O-CE 3.31Å; A179-K202 WeakPolarHBondContact O-CE 3.24Å
180	F	88.4	Confident	95.3	Very high	86 Å²	86	47.6 Å²	47.6	38%	0.377	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-21.8	-176.7	-58.4	-79.4	0	0	0	114.1	G178 K202 Y207	G178-F180 PolarHBondContact O-N 3.11Å; G178-F180 VanDerWaalsContact O-N 3.12Å; F180-K202 PolarHBondContact O-N 2.93Å; F180-Y207 AromaticContact CD1-CD1 3.57Å; F180-Y207 HydrophobicContact CD1-CD1 3.57Å; F180-Y207 AromaticContact CD1-CE1 3.81Å; F180-Y207 HydrophobicContact CD1-CE1 3.81Å; F180-Y207 HydrophobicContact CE1-CD1 4.05Å; F180-Y207 HydrophobicContact CE1-CE1 4.05Å
181	G	93.8	Very high	95.1	Very high	8 Å²	8	49 Å²	49	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-159.2	-169.7	0	0	0	0	0	113.9	G178 I200	G178-G181 PolarHBondContact N-O 2.91Å; G178-G181 PolarHBondContact O-N 2.91Å; G178-G181 VanDerWaalsContact O-N 3.14Å; G178-G181 VanDerWaalsContact O-O 3.06Å; G181-I200 VanDerWaalsContact CA-O 3.3Å; G181-I200 WeakPolarHBondContact CA-O 3.07Å
182	K	96.4	Very high	94.9	Very high	32 Å²	32	57.1 Å²	57.1	14%	0.139	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.2	-177.9	-68.9	169.1	-177.4	166.9	0	109.6	Y159 E177 I200	Y159-K182 HydrophobicContact CE1-CB 4.33Å; Y159-K182 HydrophobicContact CE1-CD 3.71Å; E177-K182 HydrophobicContact CB-CG 4.17Å; E177-K182 VanDerWaalsContact CD-CE 3.44Å; E177-K182 HydrophobicContact CG-CG 3.86Å; E177-K182 WeakPolarHBondContact OE1-CE 3.07Å; E177-K182 IonicContact OE1-NZ 3.84Å; K182-I200 PolarHBondContact N-O 3.42Å; K182-I200 PolarHBondContact O-N 3.37Å
183	V	97.7	Very high	94.7	Very high	45 Å²	45	56.6 Å²	56.6	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.8	170.2	-173.9	0	0	0	0	107.3	L175 G176 A197 L198 K199	L175-V183 HydrophobicContact CB-CG1 4.33Å; L175-V183 HydrophobicContact CD1-CG1 4.21Å; L175-V183 PolarHBondContact N-O 2.89Å; G176-V183 PolarHBondContact N-O 3.02Å; G176-V183 VanDerWaalsContact N-O 3.1Å; G176-V183 PolarHBondContact O-N 2.96Å; V183-A197 HydrophobicContact CG1-CB 4.24Å; V183-L198 WeakPolarHBondContact CA-O 3.42Å; V183-K199 HydrophobicContact CG2-CB 4.29Å; V183-K199 HydrophobicContact CG2-CG 4.15Å
184	V	98.2	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151	-179.8	-62.2	0	0	0	0	110.6	Y159 I171 C173 A197 L198 I200	Y159-V184 HydrophobicContact CE1-CG1 4.07Å; Y159-V184 HydrophobicContact CE2-CG1 3.61Å; Y159-V184 WeakPolarHBondContact OH-CG1 3.26Å; I171-V184 HydrophobicContact CD1-CG2 4.38Å; I171-V184 HydrophobicContact CG1-CG2 4.17Å; I171-V184 HydrophobicContact CG2-CB 4.16Å; I171-V184 HydrophobicContact CG2-CG1 4.29Å; I171-V184 HydrophobicContact CG2-CG2 4.47Å; C173-V184 CarbonylContact O-C 3.56Å; C173-V184 VanDerWaalsContact O-CA 3.3Å; C173-V184 WeakPolarHBondContact O-CA 3.29Å; C173-V184 WeakPolarHBondContact O-CB 3.05Å; V184-A197 CarbonylContact O-C 3.5Å; V184-A197 WeakPolarHBondContact O-CA 3.35Å; V184-L198 HydrophobicContact CG2-CB 3.86Å; V184-L198 HydrophobicContact CG2-CD2 4.38Å; V184-L198 PolarHBondContact N-O 3.44Å; V184-L198 PolarHBondContact O-N 3.28Å; V184-I200 HydrophobicContact CG1-CD1 4.46Å; V184-I200 HydrophobicContact CG2-CD1 3.86Å; V184-I200 HydrophobicContact CG2-CG1 4.46Å
185	E	98.4	Very high	94.7	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.6	167	-173.4	173.3	-160.5	0	0	109.2	L172 C173 L175 R195 V196 L251	L172-E185 HydrophobicContact CD1-CG 4.38Å; L172-E185 PolarHBondContact N-O 3.1Å; C173-E185 PolarHBondContact O-N 2.92Å; L175-E185 HydrophobicContact CD1-CB 4Å; L175-E185 HydrophobicContact CD2-CB 3.96Å; L175-E185 HydrophobicContact CG-CB 3.9Å; E185-R195 IonicContact OE1-CZ 3.68Å; E185-R195 IonicContact OE1-NE 3.46Å; E185-R195 PolarHBondContact OE1-NE 3.05Å; E185-R195 IonicContact OE1-NH2 3.93Å; E185-R195 PolarHBondContact OE1-NH2 3.48Å; E185-R195 IonicContact OE2-CZ 3.87Å; E185-R195 IonicContact OE2-NH2 3.83Å; E185-R195 PolarHBondContact OE2-NH2 3.3Å; E185-V196 WeakPolarHBondContact CA-O 3.23Å; E185-L251 HydrophobicContact CG-CD1 4.2Å; E185-L251 HydrophobicContact CG-CD2 4.34Å; E185-L251 WeakPolarHBondContact OE1-CD2 3.22Å
186	C	98.6	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.4	178.6	-67.3	0	0	0	0	113	Y169 E170 R195 V196	Y169-C186 HydrophobicContact CD1-CB 4.44Å; E170-C186 CarbonylContact O-C 3.55Å; E170-C186 WeakPolarHBondContact O-CA 3.31Å; E170-C186 WeakPolarHBondContact O-CB 3.31Å; C186-R195 WeakPolarHBondContact O-CA 3.43Å; C186-V196 HydrophobicContact CB-CG2 3.76Å; C186-V196 PolarHBondContact N-O 3.29Å; C186-V196 PolarHBondContact O-N 3.11Å
187	I	98.3	Very high	95.1	Very high	39 Å²	39	53.8 Å²	53.8	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.5	159.1	-59.2	-179.4	0	0	0	107.7	Y169 E170 L172	Y169-I187 WeakPolarHBondContact CA-O 3.4Å; E170-I187 HydrophobicContact CB-CB 4.25Å; E170-I187 PolarHBondContact N-O 3.29Å; E170-I187 PolarHBondContact O-N 2.94Å; L172-I187 HydrophobicContact CD1-CD1 4.13Å; L172-I187 HydrophobicContact CD1-CG1 3.69Å; L172-I187 HydrophobicContact CD2-CD1 3.83Å; L172-I187 HydrophobicContact CD2-CG1 3.97Å; L172-I187 HydrophobicContact CG-CD1 4.34Å; L172-I187 HydrophobicContact CG-CG1 3.94Å
188	D	97.9	Very high	95.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	102	171	-172.7	-11.5	0	0	0	110	R168 Y169 D190 N191 G193 A194 V196	R168-D188 VanDerWaalsContact CG-OD1 3.24Å; R168-D188 WeakPolarHBondContact CG-OD1 3.45Å; R168-D188 IonicContact CZ-OD1 3.43Å; R168-D188 IonicContact CZ-OD2 2.69Å; R168-D188 IonicContact NE-OD1 3.49Å; R168-D188 PolarHBondContact NE-OD1 3.29Å; R168-D188 IonicContact NE-OD2 2.78Å; R168-D188 PolarHBondContact NE-OD2 2.91Å; R168-D188 IonicContact NH2-OD1 3.75Å; R168-D188 IonicContact NH2-OD2 3.92Å; R168-D188 PolarHBondContact NH2-OD2 3.38Å; Y169-D188 HydrophobicContact CD1-CB 4.14Å; Y169-D188 HydrophobicContact CE1-CB 3.96Å; D188-D190 VanDerWaalsContact C-N 3.26Å; D188-D190 PolarHBondContact O-N 3.19Å; D188-D190 PolarHBondContact OD1-N 3.26Å; D188-D190 VanDerWaalsContact OD1-N 3.1Å; D188-N191 HydrophobicContact CB-CB 4.28Å; D188-N191 PolarHBondContact O-N 3.4Å; D188-G193 VanDerWaalsContact O-CA 3.29Å; D188-G193 WeakPolarHBondContact O-CA 3.5Å; D188-G193 PolarHBondContact O-N 3.06Å; D188-A194 PolarHBondContact N-O 3.23Å; D188-V196 HydrophobicContact CB-CG1 4.14Å; D188-V196 HydrophobicContact CB-CG2 4.46Å
189	H	96.9	Very high	96	Very high	93 Å²	93	47 Å²	47	43%	0.431	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.9	-177.5	-75.5	-87.7	0	0	0	113.9	R168 E170 N191	R168-H189 WeakPolarHBondContact O-CB 3.22Å; R168-H189 PolarHBondContact O-CD2 3.38Å; R168-H189 PolarHBondContact O-N 3.21Å; E170-H189 IonicContact OE2-CE1 2.75Å; E170-H189 PolarHBondContact OE2-CE1 2.91Å; E170-H189 IonicContact OE2-NE2 3.66Å; E170-H189 PolarHBondContact OE2-NE2 3.45Å; H189-N191 VanDerWaalsContact C-N 3.34Å
190	D	96.1	Very high	96.6	Very high	118 Å²	118	44.8 Å²	44.8	63%	0.631	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.8	176.4	-70.3	-4	0	0	0	112.1	R168 D188	R168-D190 WeakPolarHBondContact CD-OD2 3.33Å; R168-D190 HydrophobicContact CG-CB 3.98Å; R168-D190 IonicContact NE-OD2 3.88Å; D188-D190 VanDerWaalsContact C-N 3.26Å; D188-D190 PolarHBondContact O-N 3.19Å; D188-D190 PolarHBondContact OD1-N 3.26Å; D188-D190 VanDerWaalsContact OD1-N 3.1Å
191	N	93.8	Very high	97	Very high	86 Å²	86	40.9 Å²	40.9	46%	0.46	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	58	-177.3	-169.2	51.2	0	0	0	111.3	D188 H189 G193 A194	D188-N191 HydrophobicContact CB-CB 4.28Å; D188-N191 PolarHBondContact O-N 3.4Å; H189-N191 VanDerWaalsContact C-N 3.34Å; N191-G193 PolarHBondContact O-N 2.78Å; N191-A194 HydrophobicContact CB-CB 4.46Å; N191-A194 WeakPolarHBondContact ND2-CB 3.4Å; N191-A194 VanDerWaalsContact O-CB 3.22Å; N191-A194 WeakPolarHBondContact O-CB 3.4Å; N191-A194 PolarHBondContact O-N 3.36Å
192	D	93.1	Very high	97.2	Very high	171 Å²	171	41.3 Å²	41.3	91%	0.914	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	29	175.9	-64.5	-35.8	0	0	0	115	A194	D192-A194 VanDerWaalsContact C-N 3.32Å
193	G	93.7	Very high	97.2	Very high	33 Å²	33	42.4 Å²	42.4	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	23.3	-178.9	0	0	0	0	0	113.9	D188 N191	D188-G193 VanDerWaalsContact O-CA 3.29Å; D188-G193 WeakPolarHBondContact O-CA 3.5Å; D188-G193 PolarHBondContact O-N 3.06Å; N191-G193 PolarHBondContact O-N 2.78Å
194	A	97.1	Very high	97.1	Very high	33 Å²	33	43.4 Å²	43.4	27%	0.273	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	143.3	175.9	0	0	0	0	0	111.7	D188 N191 D192	D188-A194 PolarHBondContact N-O 3.23Å; N191-A194 HydrophobicContact CB-CB 4.46Å; N191-A194 WeakPolarHBondContact ND2-CB 3.4Å; N191-A194 VanDerWaalsContact O-CB 3.22Å; N191-A194 WeakPolarHBondContact O-CB 3.4Å; N191-A194 PolarHBondContact O-N 3.36Å; D192-A194 VanDerWaalsContact C-N 3.32Å
195	R	98	Very high	96.9	Very high	124 Å²	124	49 Å²	49	47%	0.468	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.2	176.1	-60.9	-76.6	-80.9	-105	1.3	109.6	E185 C186 L251	E185-R195 IonicContact OE1-CZ 3.68Å; E185-R195 IonicContact OE1-NE 3.46Å; E185-R195 PolarHBondContact OE1-NE 3.05Å; E185-R195 IonicContact OE1-NH2 3.93Å; E185-R195 PolarHBondContact OE1-NH2 3.48Å; E185-R195 IonicContact OE2-CZ 3.87Å; E185-R195 IonicContact OE2-NH2 3.83Å; E185-R195 PolarHBondContact OE2-NH2 3.3Å; C186-R195 WeakPolarHBondContact O-CA 3.43Å; R195-L251 HydrophobicContact CB-CB 4.43Å; R195-L251 HydrophobicContact CB-CD2 3.76Å
196	V	98.3	Very high	96.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	-177.9	-57.6	0	0	0	0	111	Y169 E185 C186 D188 L236 F249	Y169-V196 HydrophobicContact CD1-CG2 3.94Å; Y169-V196 HydrophobicContact CE1-CG2 4.07Å; E185-V196 WeakPolarHBondContact CA-O 3.23Å; C186-V196 HydrophobicContact CB-CG2 3.76Å; C186-V196 PolarHBondContact N-O 3.29Å; C186-V196 PolarHBondContact O-N 3.11Å; D188-V196 HydrophobicContact CB-CG1 4.14Å; D188-V196 HydrophobicContact CB-CG2 4.46Å; V196-L236 HydrophobicContact CB-CD1 4.42Å; V196-L236 HydrophobicContact CG1-CD1 3.67Å; V196-F249 WeakPolarHBondContact CA-O 3.26Å; V196-F249 WeakPolarHBondContact CB-O 3.34Å
197	A	98.5	Very high	96.5	Very high	13 Å²	13	57.5 Å²	57.5	11%	0.107	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.4	167.1	0	0	0	0	0	109.1	L175 V183 V184 A248 F249 L251	L175-A197 HydrophobicContact CD1-CB 4Å; V183-A197 HydrophobicContact CG1-CB 4.24Å; V184-A197 CarbonylContact O-C 3.5Å; V184-A197 WeakPolarHBondContact O-CA 3.35Å; A197-A248 CarbonylContact O-C 3.5Å; A197-A248 WeakPolarHBondContact O-CA 3.47Å; A197-F249 HydrophobicContact CB-CB 4.45Å; A197-F249 PolarHBondContact N-O 3.34Å; A197-F249 PolarHBondContact O-N 3.49Å; A197-L251 HydrophobicContact CB-CD1 4.21Å
198	L	98.4	Very high	96.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.3	-179.9	-170.9	71.6	0	0	0	109.8	L165 V183 V184 I200 F239 C246 A248	L165-L198 HydrophobicContact CD2-CD2 3.78Å; V183-L198 WeakPolarHBondContact CA-O 3.42Å; V184-L198 HydrophobicContact CG2-CB 3.86Å; V184-L198 HydrophobicContact CG2-CD2 4.38Å; V184-L198 PolarHBondContact N-O 3.44Å; V184-L198 PolarHBondContact O-N 3.28Å; L198-I200 HydrophobicContact CD2-CD1 4.37Å; L198-I200 HydrophobicContact CD2-CG1 4.23Å; L198-I200 HydrophobicContact CG-CG1 4.22Å; L198-F239 HydrophobicContact CD1-CE1 3.85Å; L198-F239 HydrophobicContact CD1-CZ 4.01Å; L198-F239 HydrophobicContact CD2-CZ 4.16Å; L198-C246 HydrophobicContact CD1-CB 4.18Å; L198-A248 HydrophobicContact CD1-CB 3.87Å
199	K	98.1	Very high	96.3	Very high	28 Å²	28	65 Å²	65	12%	0.122	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.5	174.3	-172.3	-179	-168.5	-177.9	0	108.5	V183 I201 E214 C246 I247 F249 D333	V183-K199 HydrophobicContact CG2-CB 4.29Å; V183-K199 HydrophobicContact CG2-CG 4.15Å; K199-I201 HydrophobicContact CD-CD1 4.05Å; K199-I201 HydrophobicContact CG-CD1 3.9Å; K199-E214 IonicContact NZ-OE1 2.63Å; K199-E214 PolarHBondContact NZ-OE1 3.42Å; K199-E214 IonicContact NZ-OE2 3.85Å; K199-E214 PolarHBondContact NZ-OE2 2.95Å; K199-C246 CarbonylContact O-C 3.57Å; K199-C246 VanDerWaalsContact O-CA 3.27Å; K199-C246 WeakPolarHBondContact O-CA 3.42Å; K199-I247 HydrophobicContact CB-CB 4.42Å; K199-I247 PolarHBondContact N-O 3.2Å; K199-I247 PolarHBondContact O-N 3.15Å; K199-F249 HydrophobicContact CB-CE2 3.96Å; K199-F249 HydrophobicContact CD-CE2 4.3Å; K199-D333 IonicContact NZ-OD1 3.37Å; K199-D333 PolarHBondContact NZ-OD1 3.1Å
200	I	98.2	Very high	96.1	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110	-179.9	-53.7	173.2	0	0	0	108.1	L157 Y159 L165 I171 G181 K182 V184 L198 H244	L157-I200 HydrophobicContact CB-CG2 4.07Å; L157-I200 HydrophobicContact CD2-CD1 4.31Å; L157-I200 HydrophobicContact CD2-CG2 4.05Å; Y159-I200 HydrophobicContact CE1-CD1 4.47Å; L165-I200 HydrophobicContact CD2-CD1 3.84Å; L165-I200 HydrophobicContact CD2-CG1 4.47Å; I171-I200 HydrophobicContact CD1-CD1 4.45Å; G181-I200 VanDerWaalsContact CA-O 3.3Å; G181-I200 WeakPolarHBondContact CA-O 3.07Å; K182-I200 PolarHBondContact N-O 3.42Å; K182-I200 PolarHBondContact O-N 3.37Å; V184-I200 HydrophobicContact CG1-CD1 4.46Å; V184-I200 HydrophobicContact CG2-CD1 3.86Å; V184-I200 HydrophobicContact CG2-CG1 4.46Å; L198-I200 HydrophobicContact CD2-CD1 4.37Å; L198-I200 HydrophobicContact CD2-CG1 4.23Å; L198-I200 HydrophobicContact CG-CG1 4.22Å; I200-H244 HydrophobicContact CG2-CB 3.98Å
201	I	98.1	Very high	96.1	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.3	-176.1	-56	-66.3	0	0	0	110.2	K199 A211 H244 V245	K199-I201 HydrophobicContact CD-CD1 4.05Å; K199-I201 HydrophobicContact CG-CD1 3.9Å; I201-A211 HydrophobicContact CB-CB 4.32Å; I201-A211 HydrophobicContact CD1-CB 4.13Å; I201-A211 HydrophobicContact CG1-CB 3.66Å; I201-A211 HydrophobicContact CG2-CB 4.09Å; I201-H244 WeakPolarHBondContact O-CB 3.41Å; I201-H244 PolarHBondContact O-ND1 2.9Å; I201-V245 HydrophobicContact CB-CB 4.21Å; I201-V245 VanDerWaalsContact CB-O 3.28Å; I201-V245 WeakPolarHBondContact CB-O 3.47Å; I201-V245 HydrophobicContact CG1-CB 4.25Å; I201-V245 WeakPolarHBondContact CG1-O 3.47Å; I201-V245 PolarHBondContact N-O 2.91Å
202	K	96.9	Very high	96.3	Very high	16 Å²	16	55.8 Å²	55.8	7%	0.07	28%	0.281	C	S	.	.			trans	-54.8	144.7	173.9	-71.7	-178.3	174.5	-147	0	111.6	E154 G155 H156 A179 F180 I204 Y207	E154-K202 WeakPolarHBondContact O-CD 3.39Å; E154-K202 PolarHBondContact O-NZ 3.03Å; E154-K202 IonicContact OE2-NZ 3.63Å; E154-K202 PolarHBondContact OE2-NZ 3.24Å; G155-K202 CarbonylContact O-C 3.59Å; G155-K202 WeakPolarHBondContact O-CA 3.35Å; G155-K202 WeakPolarHBondContact O-CB 3.28Å; H156-K202 VanDerWaalsContact CD2-CE 3.42Å; H156-K202 WeakPolarHBondContact CD2-CE 3.39Å; H156-K202 WeakPolarHBondContact CE1-CE 3.3Å; H156-K202 WeakPolarHBondContact NE2-CE 3.1Å; H156-K202 PolarHBondContact NE2-NZ 2.9Å; H156-K202 VanDerWaalsContact NE2-NZ 3.14Å; A179-K202 WeakPolarHBondContact O-CD 3.37Å; A179-K202 VanDerWaalsContact O-CE 3.31Å; A179-K202 WeakPolarHBondContact O-CE 3.24Å; F180-K202 PolarHBondContact O-N 2.93Å; K202-I204 HydrophobicContact CB-CD1 4.25Å; K202-I204 HydrophobicContact CB-CG1 4.27Å; K202-I204 HydrophobicContact CD-CD1 4.1Å; K202-I204 PolarHBondContact O-N 3.29Å; K202-Y207 HydrophobicContact CB-CD2 3.94Å; K202-Y207 HydrophobicContact CD-CD2 4.02Å; K202-Y207 HydrophobicContact CD-CE2 3.94Å
203	N	96.2	Very high	96.4	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.294	25%	0.252	S	S	.	.	S	Bend	trans	-79.1	61.7	174.6	-167.6	10.2	0	0	0	110.7	D151 G155 H242 G243 H244	D151-N203 WeakPolarHBondContact OD2-CB 3.27Å; D151-N203 PolarHBondContact OD2-ND2 3.39Å; G155-N203 PolarHBondContact O-N 3.12Å; N203-H242 PolarHBondContact ND2-O 3.07Å; N203-G243 WeakPolarHBondContact OD1-CA 3.42Å; N203-G243 PolarHBondContact OD1-O 3.15Å; N203-H244 VanDerWaalsContact CB-CE1 3.49Å; N203-H244 WeakPolarHBondContact CB-CE1 3.43Å; N203-H244 PolarHBondContact N-ND1 3.13Å
204	I	95.9	Very high	96.6	Very high	67 Å²	67	48.3 Å²	48.3	34%	0.344	24%	0.237	S	C	.	.			trans	-132.6	124.7	178.3	-61.7	173.8	0	0	0	106.7	K202 R206 Y207 R208	K202-I204 HydrophobicContact CB-CD1 4.25Å; K202-I204 HydrophobicContact CB-CG1 4.27Å; K202-I204 HydrophobicContact CD-CD1 4.1Å; K202-I204 PolarHBondContact O-N 3.29Å; I204-R206 VanDerWaalsContact C-N 3.29Å; I204-R206 PolarHBondContact O-N 3.28Å; I204-R206 VanDerWaalsContact O-N 3.13Å; I204-Y207 HydrophobicContact CB-CD2 3.82Å; I204-Y207 HydrophobicContact CB-CE2 4.48Å; I204-Y207 HydrophobicContact CD1-CD2 4Å; I204-Y207 HydrophobicContact CD1-CE2 3.93Å; I204-Y207 HydrophobicContact CG1-CD2 4.4Å; I204-Y207 HydrophobicContact CG2-CD2 4.11Å; I204-Y207 HydrophobicContact CG2-CE2 4.49Å; I204-Y207 PolarHBondContact O-N 2.77Å; I204-R208 PolarHBondContact O-N 3.32Å
205	D	94.9	Very high	96.6	Very high	116 Å²	116	46.8 Å²	46.8	62%	0.62	22%	0.224	S	C	*	.	H	α-helix	trans	-50.2	-45.3	-170	-67.4	-28.1	0	0	0	113.5	Y207 R208 E209	D205-Y207 VanDerWaalsContact C-N 3.31Å; D205-Y207 PolarHBondContact O-N 2.91Å; D205-R208 WeakPolarHBondContact O-CB 3.11Å; D205-R208 PolarHBondContact O-N 3.31Å; D205-R208 VanDerWaalsContact O-N 3.14Å; D205-E209 WeakPolarHBondContact O-CG 3.4Å; D205-E209 PolarHBondContact O-N 3.42Å
206	R	93.3	Very high	96.6	Very high	163 Å²	163	47 Å²	47	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-56.7	-41.7	177.3	-177.7	-178.2	176.9	-175.6	0.3	113.1	I204 A210	I204-R206 VanDerWaalsContact C-N 3.29Å; I204-R206 PolarHBondContact O-N 3.28Å; I204-R206 VanDerWaalsContact O-N 3.13Å; R206-A210 PolarHBondContact O-N 3.43Å
207	Y	95.1	Very high	96.6	Very high	39 Å²	39	47 Å²	47	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-77	-33.1	179.2	-63.7	-48.3	0	0	0	111.6	F180 K202 I204 D205 A210 A211	F180-Y207 AromaticContact CD1-CD1 3.57Å; F180-Y207 HydrophobicContact CD1-CD1 3.57Å; F180-Y207 AromaticContact CD1-CE1 3.81Å; F180-Y207 HydrophobicContact CD1-CE1 3.81Å; F180-Y207 HydrophobicContact CE1-CD1 4.05Å; F180-Y207 HydrophobicContact CE1-CE1 4.05Å; K202-Y207 HydrophobicContact CB-CD2 3.94Å; K202-Y207 HydrophobicContact CD-CD2 4.02Å; K202-Y207 HydrophobicContact CD-CE2 3.94Å; I204-Y207 HydrophobicContact CB-CD2 3.82Å; I204-Y207 HydrophobicContact CB-CE2 4.48Å; I204-Y207 HydrophobicContact CD1-CD2 4Å; I204-Y207 HydrophobicContact CD1-CE2 3.93Å; I204-Y207 HydrophobicContact CG1-CD2 4.4Å; I204-Y207 HydrophobicContact CG2-CD2 4.11Å; I204-Y207 HydrophobicContact CG2-CE2 4.49Å; I204-Y207 PolarHBondContact O-N 2.77Å; D205-Y207 VanDerWaalsContact C-N 3.31Å; D205-Y207 PolarHBondContact O-N 2.91Å; Y207-A210 PolarHBondContact O-N 3.43Å; Y207-A211 WeakPolarHBondContact O-CB 3.4Å; Y207-A211 PolarHBondContact O-N 2.83Å
208	R	96.3	Very high	96.6	Very high	56 Å²	56	46.4 Å²	46.4	21%	0.211	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-46.4	173.5	-66.8	170.7	52.9	69.2	-1.7	111.3	I204 D205 A211 M212 D240 G243 V245	I204-R208 PolarHBondContact O-N 3.32Å; D205-R208 WeakPolarHBondContact O-CB 3.11Å; D205-R208 PolarHBondContact O-N 3.31Å; D205-R208 VanDerWaalsContact O-N 3.14Å; R208-A211 PolarHBondContact O-N 3.42Å; R208-M212 WeakPolarHBondContact O-CG 3.46Å; R208-M212 PolarHBondContact O-N 2.95Å; R208-D240 IonicContact CZ-OD2 3.56Å; R208-D240 VanDerWaalsContact CZ-OD2 3.27Å; R208-D240 IonicContact NH1-OD2 3.99Å; R208-D240 PolarHBondContact NH1-OD2 3.49Å; R208-D240 IonicContact NH2-OD2 3Å; R208-D240 PolarHBondContact NH2-OD2 3.29Å; R208-G243 WeakPolarHBondContact CD-O 3.49Å; R208-G243 PolarHBondContact NH1-O 3.48Å; R208-V245 HydrophobicContact CB-CG2 4.18Å; R208-V245 HydrophobicContact CG-CG2 4.23Å
209	E	94.5	Very high	96.5	Very high	143 Å²	143	50.3 Å²	50.3	67%	0.668	24%	0.242	S	C	*	.	H	α-helix	trans	-59.6	-47.1	176.2	-73.5	176.6	179.9	0	0	111.8	D205 A211 M212 S213	D205-E209 WeakPolarHBondContact O-CG 3.4Å; D205-E209 PolarHBondContact O-N 3.42Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 2.91Å; E209-M212 PolarHBondContact O-N 3.31Å; E209-S213 PolarHBondContact O-N 2.98Å; E209-S213 VanDerWaalsContact O-N 3.08Å
210	A	93.8	Very high	96.5	Very high	38 Å²	38	52.6 Å²	52.6	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-41.8	176	0	0	0	0	0	112.2	R206 Y207 M212 S213 E214	R206-A210 PolarHBondContact O-N 3.43Å; Y207-A210 PolarHBondContact O-N 3.43Å; A210-M212 PolarHBondContact O-N 2.87Å; A210-S213 WeakPolarHBondContact O-CB 3.24Å; A210-S213 PolarHBondContact O-N 3.24Å; A210-E214 PolarHBondContact O-N 3.38Å
211	A	96.6	Very high	96.4	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-34.9	176.8	0	0	0	0	0	113	I201 Y207 R208 E209 E214 V215 V245	I201-A211 HydrophobicContact CB-CB 4.32Å; I201-A211 HydrophobicContact CD1-CB 4.13Å; I201-A211 HydrophobicContact CG1-CB 3.66Å; I201-A211 HydrophobicContact CG2-CB 4.09Å; Y207-A211 WeakPolarHBondContact O-CB 3.4Å; Y207-A211 PolarHBondContact O-N 2.83Å; R208-A211 PolarHBondContact O-N 3.42Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 2.91Å; A211-E214 WeakPolarHBondContact O-CB 3.13Å; A211-E214 PolarHBondContact O-N 3.02Å; A211-V215 WeakPolarHBondContact O-CG2 3.33Å; A211-V215 PolarHBondContact O-N 2.69Å; A211-V245 HydrophobicContact CB-CB 4.08Å; A211-V245 HydrophobicContact CB-CG1 3.95Å
212	M	97.2	Very high	96.4	Very high	62 Å²	62	54 Å²	54	31%	0.305	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-39.7	174.8	-71.6	-57.1	-59.3	0	0	111.8	R208 E209 A210 E214 V215 E216 W238 V245	R208-M212 WeakPolarHBondContact O-CG 3.46Å; R208-M212 PolarHBondContact O-N 2.95Å; E209-M212 PolarHBondContact O-N 3.31Å; A210-M212 PolarHBondContact O-N 2.87Å; M212-E214 VanDerWaalsContact C-N 3.33Å; M212-E214 PolarHBondContact O-N 3.2Å; M212-V215 WeakPolarHBondContact O-CB 3.22Å; M212-V215 PolarHBondContact O-N 2.8Å; M212-E216 WeakPolarHBondContact O-CG 3.27Å; M212-E216 PolarHBondContact O-N 2.78Å; M212-W238 HydrophobicContact CE-CH2 3.94Å; M212-W238 HydrophobicContact CE-CZ3 3.94Å; M212-W238 HydrophobicContact SD-CE3 4.31Å; M212-W238 HydrophobicContact SD-CH2 4.49Å; M212-W238 HydrophobicContact SD-CZ3 3.88Å; M212-V245 HydrophobicContact SD-CG1 4.31Å; M212-V245 HydrophobicContact SD-CG2 4.35Å
213	S	95.2	Very high	96.3	Very high	43 Å²	43	58.6 Å²	58.6	30%	0.301	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-44	170.6	-179.6	0	0	0	0	111.5	E209 A210 V215 E216 V217	E209-S213 PolarHBondContact O-N 2.98Å; E209-S213 VanDerWaalsContact O-N 3.08Å; A210-S213 WeakPolarHBondContact O-CB 3.24Å; A210-S213 PolarHBondContact O-N 3.24Å; S213-V215 PolarHBondContact O-N 3.43Å; S213-E216 PolarHBondContact O-N 3Å; S213-V217 WeakPolarHBondContact O-CG2 3.34Å; S213-V217 PolarHBondContact O-N 3.16Å
214	E	97.1	Very high	96.3	Very high	5 Å²	5	59.2 Å²	59.2	2%	0.023	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-44.7	174.1	-170.4	176.1	-172	0	0	112.1	K199 A210 A211 M212 E216 V217 L218 F334	K199-E214 IonicContact NZ-OE1 2.63Å; K199-E214 PolarHBondContact NZ-OE1 3.42Å; K199-E214 IonicContact NZ-OE2 3.85Å; K199-E214 PolarHBondContact NZ-OE2 2.95Å; A210-E214 PolarHBondContact O-N 3.38Å; A211-E214 WeakPolarHBondContact O-CB 3.13Å; A211-E214 PolarHBondContact O-N 3.02Å; M212-E214 VanDerWaalsContact C-N 3.33Å; M212-E214 PolarHBondContact O-N 3.2Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 3.49Å; E214-V217 PolarHBondContact O-N 3.33Å; E214-L218 HydrophobicContact CG-CD1 3.86Å; E214-L218 HydrophobicContact CG-CG 4.4Å; E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 VanDerWaalsContact O-CG 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.32Å; E214-L218 PolarHBondContact O-N 2.93Å; E214-F334 HydrophobicContact CG-CB 4.29Å; E214-F334 PolarHBondContact OE1-N 3.36Å
215	V	98.2	Very high	96.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-41.1	176.6	167.3	0	0	0	0	111.5	A211 M212 S213 L218 K219 M235 W238 I247	A211-V215 WeakPolarHBondContact O-CG2 3.33Å; A211-V215 PolarHBondContact O-N 2.69Å; M212-V215 WeakPolarHBondContact O-CB 3.22Å; M212-V215 PolarHBondContact O-N 2.8Å; S213-V215 PolarHBondContact O-N 3.43Å; V215-L218 PolarHBondContact O-N 3.3Å; V215-K219 HydrophobicContact CG1-CD 4.16Å; V215-K219 HydrophobicContact CG1-CG 4.46Å; V215-K219 WeakPolarHBondContact O-CB 3.36Å; V215-K219 VanDerWaalsContact O-CG 3.29Å; V215-K219 WeakPolarHBondContact O-CG 3.41Å; V215-K219 PolarHBondContact O-N 3.3Å; V215-M235 HydrophobicContact CG1-CE 4.43Å; V215-M235 HydrophobicContact CG1-SD 4.33Å; V215-M235 HydrophobicContact CG2-SD 4.38Å; V215-W238 HydrophobicContact CG1-CB 4.4Å; V215-W238 HydrophobicContact CG1-CD2 3.85Å; V215-W238 HydrophobicContact CG1-CG 3.7Å; V215-W238 HydrophobicContact CG2-CB 4.09Å; V215-W238 HydrophobicContact CG2-CD2 4.44Å; V215-W238 HydrophobicContact CG2-CG 4.17Å; V215-I247 HydrophobicContact CG2-CD1 3.62Å; V215-I247 HydrophobicContact CG2-CG1 3.8Å
216	E	97.6	Very high	96	Very high	128 Å²	128	54.3 Å²	54.3	60%	0.598	28%	0.278	S	S	*	.	H	α-helix	trans	-65.3	-45.2	178.2	-72.3	177.8	-176.8	0	0	111.9	M212 S213 E214 K219 H220	M212-E216 WeakPolarHBondContact O-CG 3.27Å; M212-E216 PolarHBondContact O-N 2.78Å; S213-E216 PolarHBondContact O-N 3Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 3.49Å; E216-K219 PolarHBondContact O-N 3.47Å; E216-H220 PolarHBondContact O-N 3.01Å; E216-H220 VanDerWaalsContact O-N 3.09Å
217	V	97.8	Very high	95.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-50.3	173.1	171.7	0	0	0	0	110.5	S213 E214 K219 H220 L221 L292 F334 A337 Y339	S213-V217 WeakPolarHBondContact O-CG2 3.34Å; S213-V217 PolarHBondContact O-N 3.16Å; E214-V217 PolarHBondContact O-N 3.33Å; V217-K219 PolarHBondContact O-N 3.09Å; V217-H220 WeakPolarHBondContact O-CB 3.32Å; V217-H220 PolarHBondContact O-N 2.84Å; V217-H220 VanDerWaalsContact O-N 3.16Å; V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.25Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.46Å; V217-L292 HydrophobicContact CG1-CD1 4.45Å; V217-L292 HydrophobicContact CG1-CD2 3.59Å; V217-L292 HydrophobicContact CG2-CD1 4.37Å; V217-F334 HydrophobicContact CG1-CB 4.02Å; V217-F334 HydrophobicContact CG1-CD1 4.35Å; V217-F334 HydrophobicContact CG1-CG 4.4Å; V217-A337 HydrophobicContact CG1-CB 4.35Å; V217-Y339 HydrophobicContact CG2-CE2 3.87Å
218	L	98.2	Very high	95.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-41	-179.1	-74.7	166.8	0	0	0	112.7	E214 V215 H220 L221 N222 V233 M235 I247 F249 F334	E214-L218 HydrophobicContact CG-CD1 3.86Å; E214-L218 HydrophobicContact CG-CG 4.4Å; E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 VanDerWaalsContact O-CG 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.32Å; E214-L218 PolarHBondContact O-N 2.93Å; V215-L218 PolarHBondContact O-N 3.3Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 3.3Å; L218-L221 PolarHBondContact O-N 3.39Å; L218-N222 VanDerWaalsContact O-CB 3.32Å; L218-N222 WeakPolarHBondContact O-CB 3.12Å; L218-N222 PolarHBondContact O-N 3.47Å; L218-V233 HydrophobicContact CD2-CG1 4.43Å; L218-M235 HydrophobicContact CB-CB 3.99Å; L218-M235 HydrophobicContact CB-CE 4.32Å; L218-M235 HydrophobicContact CB-SD 3.93Å; L218-M235 HydrophobicContact CD1-CB 4.23Å; L218-M235 HydrophobicContact CD1-CG 4.42Å; L218-M235 HydrophobicContact CD1-SD 4.04Å; L218-M235 HydrophobicContact CD2-CB 4.5Å; L218-M235 HydrophobicContact CG-CB 4.48Å; L218-I247 HydrophobicContact CD1-CG2 4.19Å; L218-F249 HydrophobicContact CD1-CE1 3.54Å; L218-F249 HydrophobicContact CD1-CZ 3.68Å; L218-F249 HydrophobicContact CD2-CE1 4.04Å; L218-F249 HydrophobicContact CG-CE1 4.45Å; L218-F334 HydrophobicContact CD2-CD2 3.64Å; L218-F334 HydrophobicContact CD2-CE2 4.2Å; L218-F334 HydrophobicContact CD2-CG 4.38Å
219	K	97.8	Very high	95.5	Very high	83 Å²	83	60.8 Å²	60.8	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-44.5	174.1	-77.6	175	-178.3	166.7	0	111.7	V215 E216 V217 T223 M235	V215-K219 HydrophobicContact CG1-CD 4.16Å; V215-K219 HydrophobicContact CG1-CG 4.46Å; V215-K219 WeakPolarHBondContact O-CB 3.36Å; V215-K219 VanDerWaalsContact O-CG 3.29Å; V215-K219 WeakPolarHBondContact O-CG 3.41Å; V215-K219 PolarHBondContact O-N 3.3Å; E216-K219 PolarHBondContact O-N 3.47Å; V217-K219 PolarHBondContact O-N 3.09Å; K219-T223 PolarHBondContact O-N 3.25Å; K219-T223 VanDerWaalsContact O-N 3.13Å; K219-T223 PolarHBondContact O-OG1 2.98Å; K219-M235 HydrophobicContact CG-CE 3.57Å
220	H	97.1	Very high	95.4	Very high	76 Å²	76	56.7 Å²	56.7	35%	0.352	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-47.4	179.1	-176.3	-155.5	0	0	0	111.2	E216 V217 L218 N222 T223 L224 Y339	E216-H220 PolarHBondContact O-N 3.01Å; E216-H220 VanDerWaalsContact O-N 3.09Å; V217-H220 WeakPolarHBondContact O-CB 3.32Å; V217-H220 PolarHBondContact O-N 2.84Å; V217-H220 VanDerWaalsContact O-N 3.16Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 3.3Å; H220-N222 PolarHBondContact O-N 3.21Å; H220-T223 WeakPolarHBondContact O-CB 3.47Å; H220-T223 PolarHBondContact O-N 3.01Å; H220-L224 VanDerWaalsContact NE2-CD1 3.34Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.22Å; H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.11Å; H220-Y339 AromaticContact ND1-CE1 3.94Å; H220-Y339 AromaticContact ND1-CZ 3.8Å; H220-Y339 PolarHBondContact ND1-OH 3.43Å
221	L	97	Very high	95.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-44.4	178.3	-65.1	-178.6	0	0	0	112.4	V217 L218 T223 L224 D225 F286 L287 L292 F334	V217-L221 HydrophobicContact CG1-CD1 3.94Å; V217-L221 HydrophobicContact CG1-CG 4.25Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.46Å; L218-L221 PolarHBondContact O-N 3.39Å; L221-T223 PolarHBondContact O-N 3.37Å; L221-L224 PolarHBondContact O-N 3.33Å; L221-D225 PolarHBondContact O-N 2.88Å; L221-F286 HydrophobicContact CD2-CE1 3.81Å; L221-F286 HydrophobicContact CD2-CZ 4.27Å; L221-L287 HydrophobicContact CD1-CD2 3.8Å; L221-L287 HydrophobicContact CD2-CD2 3.75Å; L221-L287 HydrophobicContact CG-CD2 4.46Å; L221-L292 HydrophobicContact CD1-CD2 4.26Å; L221-L292 HydrophobicContact CD2-CD2 4.19Å; L221-F334 HydrophobicContact CD1-CD1 3.82Å; L221-F334 HydrophobicContact CD1-CE1 3.6Å; L221-F334 HydrophobicContact CD1-CE2 4.34Å; L221-F334 HydrophobicContact CD1-CG 4.3Å; L221-F334 HydrophobicContact CD1-CZ 3.88Å
222	N	96.8	Very high	95.5	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-37.9	175.5	-83.4	5.6	0	0	0	112.4	L218 H220 D225 A226 H234 M235	L218-N222 VanDerWaalsContact O-CB 3.32Å; L218-N222 WeakPolarHBondContact O-CB 3.12Å; L218-N222 PolarHBondContact O-N 3.47Å; H220-N222 PolarHBondContact O-N 3.21Å; N222-D225 CarbonylContact O-C 3.41Å; N222-A226 PolarHBondContact O-N 3.44Å; N222-H234 PolarHBondContact OD1-CD2 2.93Å; N222-M235 PolarHBondContact ND2-N 3.12Å; N222-M235 PolarHBondContact ND2-O 2.86Å; N222-M235 PolarHBondContact OD1-N 3.21Å
223	T	96.6	Very high	95.5	Very high	112 Å²	112	53 Å²	53	69%	0.687	27%	0.267	S	S	*	.	H	α-helix	trans	-69.6	-42.4	178.5	-56.4	0	0	0	0	111.2	K219 H220 L221 D225	K219-T223 PolarHBondContact O-N 3.25Å; K219-T223 VanDerWaalsContact O-N 3.13Å; K219-T223 PolarHBondContact O-OG1 2.98Å; H220-T223 WeakPolarHBondContact O-CB 3.47Å; H220-T223 PolarHBondContact O-N 3.01Å; L221-T223 PolarHBondContact O-N 3.37Å; T223-D225 VanDerWaalsContact C-N 3.35Å
224	L	95.8	Very high	95.6	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-27.6	179.5	-69.8	173.8	0	0	0	113.3	H220 L221 F286 N290	H220-L224 VanDerWaalsContact NE2-CD1 3.34Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.22Å; H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.11Å; L221-L224 PolarHBondContact O-N 3.33Å; L224-F286 HydrophobicContact CB-CE2 3.93Å; L224-F286 HydrophobicContact CB-CZ 3.71Å; L224-F286 HydrophobicContact CD1-CZ 4.46Å; L224-N290 HydrophobicContact CD1-CB 4.05Å; L224-N290 VanDerWaalsContact CD1-CG 3.43Å; L224-N290 WeakPolarHBondContact CD1-OD1 3.43Å
225	D	94.4	Very high	95.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	50.9	177.3	-167	35.2	0	0	0	112.7	L221 N222 T223 D227 R228 R229 Y230 H234 F286	L221-D225 PolarHBondContact O-N 2.88Å; N222-D225 CarbonylContact O-C 3.41Å; T223-D225 VanDerWaalsContact C-N 3.35Å; D225-D227 PolarHBondContact O-N 3.06Å; D225-R228 PolarHBondContact O-N 3.33Å; D225-R228 PolarHBondContact OD1-N 2.95Å; D225-R228 WeakPolarHBondContact OD2-CA 3.33Å; D225-R229 VanDerWaalsContact CG-N 3.34Å; D225-R229 PolarHBondContact OD1-N 3.38Å; D225-R229 PolarHBondContact OD2-N 2.85Å; D225-R229 VanDerWaalsContact OD2-N 3.13Å; D225-Y230 HydrophobicContact CB-CD2 4.01Å; D225-Y230 WeakPolarHBondContact OD1-CD2 3.42Å; D225-Y230 PolarHBondContact OD2-N 3.12Å; D225-H234 PolarHBondContact O-NE2 3.03Å; D225-H234 IonicContact OD2-CE1 2.76Å; D225-F286 HydrophobicContact CB-CE1 4.39Å; D225-F286 HydrophobicContact CB-CZ 3.96Å
226	A	90.7	Very high	95.6	Very high	76 Å²	76	55.4 Å²	55.4	63%	0.628	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.1	176.7	0	0	0	0	0	112.7	N222 R228	N222-A226 PolarHBondContact O-N 3.44Å; A226-R228 VanDerWaalsContact C-N 3.27Å; A226-R228 PolarHBondContact O-N 3.45Å
227	D	90.9	Very high	95.6	Very high	109 Å²	109	51.1 Å²	51.1	58%	0.583	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.4	179.1	-61.7	-24	0	0	0	113.6	D225 R229	D225-D227 PolarHBondContact O-N 3.06Å; D227-R229 VanDerWaalsContact C-N 3.3Å; D227-R229 HydrophobicContact CB-CG 3.73Å; D227-R229 PolarHBondContact O-N 2.84Å; D227-R229 IonicContact OD2-CZ 2.83Å; D227-R229 IonicContact OD2-NE 3.29Å; D227-R229 IonicContact OD2-NH1 3.29Å; D227-R229 IonicContact OD2-NH2 2.72Å
228	R	90.9	Very high	95.6	Very high	141 Å²	141	54.9 Å²	54.9	53%	0.532	27%	0.271	S	S	.	.			trans	53.4	40.6	-178.3	-44.6	-165	175.9	-166.1	-1.6	114.1	D225 A226	D225-R228 PolarHBondContact O-N 3.33Å; D225-R228 PolarHBondContact OD1-N 2.95Å; D225-R228 WeakPolarHBondContact OD2-CA 3.33Å; A226-R228 VanDerWaalsContact C-N 3.27Å; A226-R228 PolarHBondContact O-N 3.45Å
229	R	90.6	Very high	95.6	Very high	145 Å²	145	55.5 Å²	55.5	55%	0.547	27%	0.273	S	S	.	.			trans	-86.9	-14.8	-175.8	-67.6	-174.5	-60.6	-164.2	-7	113.5	D225 D227 R282	D225-R229 VanDerWaalsContact CG-N 3.34Å; D225-R229 PolarHBondContact OD1-N 3.38Å; D225-R229 PolarHBondContact OD2-N 2.85Å; D225-R229 VanDerWaalsContact OD2-N 3.13Å; D227-R229 VanDerWaalsContact C-N 3.3Å; D227-R229 HydrophobicContact CB-CG 3.73Å; D227-R229 PolarHBondContact O-N 2.84Å; D227-R229 IonicContact OD2-CZ 2.83Å; D227-R229 IonicContact OD2-NE 3.29Å; D227-R229 IonicContact OD2-NH1 3.29Å; D227-R229 IonicContact OD2-NH2 2.72Å; R229-R282 PolarHBondContact O-NH1 3.5Å; R229-R282 PolarHBondContact O-NH2 2.95Å
230	Y	93.2	Very high	95.6	Very high	56 Å²	56	55.2 Å²	55.2	22%	0.22	28%	0.276	C	S	.	.	S	Bend	trans	-109.6	143.3	178.8	-58.3	-74.6	0	0	0	109.7	D225 C232 F286	D225-Y230 HydrophobicContact CB-CD2 4.01Å; D225-Y230 WeakPolarHBondContact OD1-CD2 3.42Å; D225-Y230 PolarHBondContact OD2-N 3.12Å; Y230-C232 PolarHBondContact O-N 3.46Å; Y230-F286 HydrophobicContact CD1-CB 3.56Å; Y230-F286 HydrophobicContact CD1-CD2 4.39Å; Y230-F286 AromaticContact CD1-CG 3.99Å; Y230-F286 HydrophobicContact CD1-CG 3.99Å; Y230-F286 HydrophobicContact CD2-CB 4.19Å; Y230-F286 HydrophobicContact CD2-CD1 4.11Å; Y230-F286 AromaticContact CD2-CD2 3.53Å; Y230-F286 HydrophobicContact CD2-CD2 3.53Å; Y230-F286 HydrophobicContact CD2-CE1 4.35Å; Y230-F286 AromaticContact CD2-CE2 3.81Å; Y230-F286 HydrophobicContact CD2-CE2 3.81Å; Y230-F286 AromaticContact CD2-CG 3.68Å; Y230-F286 HydrophobicContact CD2-CG 3.68Å; Y230-F286 HydrophobicContact CD2-CZ 4.21Å; Y230-F286 HydrophobicContact CE1-CB 3.79Å; Y230-F286 HydrophobicContact CE1-CD2 4.33Å; Y230-F286 HydrophobicContact CE1-CG 4.28Å; Y230-F286 HydrophobicContact CE2-CB 4.41Å; Y230-F286 AromaticContact CE2-CD2 3.47Å; Y230-F286 HydrophobicContact CE2-CD2 3.47Å; Y230-F286 VanDerWaalsContact CE2-CD2 3.47Å; Y230-F286 AromaticContact CE2-CE2 3.85Å; Y230-F286 HydrophobicContact CE2-CE2 3.85Å; Y230-F286 HydrophobicContact CE2-CG 4.02Å; Y230-F286 HydrophobicContact CG-CB 3.78Å; Y230-F286 HydrophobicContact CG-CD1 4.01Å; Y230-F286 HydrophobicContact CG-CD2 4.01Å; Y230-F286 AromaticContact CG-CG 3.68Å; Y230-F286 HydrophobicContact CG-CG 3.68Å; Y230-F286 AromaticContact CZ-CD2 3.89Å
231	S	95.3	Very high	95.6	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.098	27%	0.267	C	S	.	.	S	Bend	trans	-76.4	50.2	-177.4	-66.8	0	0	0	0	112.1	V329 K330 I331	S231-V329 WeakPolarHBondContact CB-O 3.4Å; S231-V329 PolarHBondContact OG-O 3Å; S231-V329 VanDerWaalsContact OG-O 3.12Å; S231-K330 CarbonylContact O-C 3.58Å; S231-K330 WeakPolarHBondContact O-CA 3.3Å; S231-I331 PolarHBondContact O-N 3.37Å
232	C	97.4	Very high	95.5	Very high	5 Å²	5	59 Å²	59	3%	0.034	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-104.1	146.2	170.2	-62.5	0	0	0	0	108.8	Y230 K330 F334	Y230-C232 PolarHBondContact O-N 3.46Å; C232-K330 PolarHBondContact O-NZ 3.5Å; C232-F334 HydrophobicContact CB-CE2 4.44Å; C232-F334 HydrophobicContact CB-CZ 3.96Å
233	V	97.6	Very high	95.4	Very high	8 Å²	8	58 Å²	58	5%	0.048	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.4	138.2	175.5	67.3	0	0	0	0	111.3	L218 F249 E250 L252 I331 V332 F334	L218-V233 HydrophobicContact CD2-CG1 4.43Å; V233-F249 HydrophobicContact CG1-CD1 3.99Å; V233-F249 HydrophobicContact CG1-CE1 4.05Å; V233-F249 HydrophobicContact CG2-CB 4.03Å; V233-F249 HydrophobicContact CG2-CD1 3.75Å; V233-F249 HydrophobicContact CG2-CG 4.22Å; V233-E250 HydrophobicContact CG2-CG 4.15Å; V233-L252 HydrophobicContact CG2-CD1 4.2Å; V233-I331 PolarHBondContact N-O 3.12Å; V233-V332 HydrophobicContact CB-CG1 4Å; V233-V332 HydrophobicContact CG1-CB 4.19Å; V233-V332 HydrophobicContact CG1-CG1 4.14Å; V233-V332 HydrophobicContact CG2-CG1 4.43Å; V233-F334 HydrophobicContact CG1-CD2 4.38Å; V233-F334 HydrophobicContact CG1-CE2 3.99Å
234	H	96.6	Very high	95.5	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-91.4	121.6	176.5	-77.1	82.2	0	0	0	110.7	N222 D225 E250 K330	N222-H234 PolarHBondContact OD1-CD2 2.93Å; D225-H234 PolarHBondContact O-NE2 3.03Å; D225-H234 IonicContact OD2-CE1 2.76Å; H234-E250 PolarHBondContact N-OE1 3.11Å; H234-E250 IonicContact ND1-OE1 3.38Å; H234-E250 PolarHBondContact O-N 3.44Å; H234-K330 PolarHBondContact ND1-NZ 3.47Å
235	M	97.9	Very high	95.6	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.4	167.3	-174.6	-175.9	70.8	0	0	109.5	V215 L218 K219 N222 W238 I247 A248 F249	V215-M235 HydrophobicContact CG1-CE 4.43Å; V215-M235 HydrophobicContact CG1-SD 4.33Å; V215-M235 HydrophobicContact CG2-SD 4.38Å; L218-M235 HydrophobicContact CB-CB 3.99Å; L218-M235 HydrophobicContact CB-CE 4.32Å; L218-M235 HydrophobicContact CB-SD 3.93Å; L218-M235 HydrophobicContact CD1-CB 4.23Å; L218-M235 HydrophobicContact CD1-CG 4.42Å; L218-M235 HydrophobicContact CD1-SD 4.04Å; L218-M235 HydrophobicContact CD2-CB 4.5Å; L218-M235 HydrophobicContact CG-CB 4.48Å; K219-M235 HydrophobicContact CG-CE 3.57Å; N222-M235 PolarHBondContact ND2-N 3.12Å; N222-M235 PolarHBondContact ND2-O 2.86Å; N222-M235 PolarHBondContact OD1-N 3.21Å; M235-W238 HydrophobicContact SD-CB 4.21Å; M235-I247 HydrophobicContact CG-CG2 3.63Å; M235-I247 HydrophobicContact SD-CG2 3.64Å; M235-A248 CarbonylContact C-O 3.58Å; M235-F249 HydrophobicContact CB-CD1 4.35Å; M235-F249 HydrophobicContact CB-CE1 4.23Å
236	L	97.1	Very high	95.8	Very high	70 Å²	70	49.4 Å²	49.4	37%	0.366	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-41.2	-178.8	-58	179.8	0	0	0	112.1	V196 A248	V196-L236 HydrophobicContact CB-CD1 4.42Å; V196-L236 HydrophobicContact CG1-CD1 3.67Å; L236-A248 HydrophobicContact CB-CB 4.43Å; L236-A248 PolarHBondContact N-O 2.75Å
237	D	97.4	Very high	96.1	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.1	179.7	-162.8	5.6	0	0	0	109.3	K166 R168 Y169 A248	K166-D237 IonicContact NZ-OD2 2.85Å; R168-D237 IonicContact CZ-OD2 3.47Å; R168-D237 IonicContact NH1-OD2 2.92Å; R168-D237 PolarHBondContact NH1-OD2 3.21Å; Y169-D237 WeakPolarHBondContact OH-CB 3.49Å; Y169-D237 PolarHBondContact OH-OD2 3.28Å; D237-A248 HydrophobicContact CB-CB 4.22Å; D237-A248 PolarHBondContact O-N 2.91Å
238	W	98.3	Very high	96.5	Very high	82 Å²	82	40.6 Å²	40.6	31%	0.311	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.9	166.4	74.6	-77.5	0	0	0	109.8	M212 V215 M235 C246	M212-W238 HydrophobicContact CE-CH2 3.94Å; M212-W238 HydrophobicContact CE-CZ3 3.94Å; M212-W238 HydrophobicContact SD-CE3 4.31Å; M212-W238 HydrophobicContact SD-CH2 4.49Å; M212-W238 HydrophobicContact SD-CZ3 3.88Å; V215-W238 HydrophobicContact CG1-CB 4.4Å; V215-W238 HydrophobicContact CG1-CD2 3.85Å; V215-W238 HydrophobicContact CG1-CG 3.7Å; V215-W238 HydrophobicContact CG2-CB 4.09Å; V215-W238 HydrophobicContact CG2-CD2 4.44Å; V215-W238 HydrophobicContact CG2-CG 4.17Å; M235-W238 HydrophobicContact SD-CB 4.21Å; W238-C246 CarbonylContact C-O 3.55Å; W238-C246 WeakPolarHBondContact CA-O 3.47Å
239	F	98.1	Very high	96.9	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.053	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.1	178.4	55.7	-84.6	0	0	0	111.5	L165 K166 Y169 L198 Y241 C246	L165-F239 HydrophobicContact CB-CZ 4.49Å; K166-F239 HydrophobicContact CB-CE2 4.3Å; K166-F239 HydrophobicContact CD-CB 4.21Å; K166-F239 HydrophobicContact CD-CD1 4.23Å; K166-F239 HydrophobicContact CD-CD2 4.12Å; K166-F239 HydrophobicContact CD-CG 3.94Å; Y169-F239 AromaticContact CD2-CE1 3.59Å; Y169-F239 HydrophobicContact CD2-CE1 3.59Å; Y169-F239 AromaticContact CD2-CZ 3.65Å; Y169-F239 HydrophobicContact CD2-CZ 3.65Å; Y169-F239 HydrophobicContact CE2-CD1 4.03Å; Y169-F239 AromaticContact CE2-CE1 3.27Å; Y169-F239 HydrophobicContact CE2-CE1 3.27Å; Y169-F239 AromaticContact CE2-CZ 3.85Å; Y169-F239 HydrophobicContact CE2-CZ 3.85Å; L198-F239 HydrophobicContact CD1-CE1 3.85Å; L198-F239 HydrophobicContact CD1-CZ 4.01Å; L198-F239 HydrophobicContact CD2-CZ 4.16Å; F239-Y241 HydrophobicContact CE2-CG 4.46Å; F239-C246 HydrophobicContact CD1-CB 4.15Å; F239-C246 HydrophobicContact CD2-CB 3.84Å; F239-C246 HydrophobicContact CE1-CB 3.81Å; F239-C246 HydrophobicContact CE2-CB 3.5Å; F239-C246 VanDerWaalsContact CE2-CB 3.5Å; F239-C246 HydrophobicContact CG-CB 4.16Å; F239-C246 HydrophobicContact CZ-CB 3.48Å; F239-C246 VanDerWaalsContact CZ-CB 3.48Å; F239-C246 PolarHBondContact N-O 3.4Å; F239-C246 PolarHBondContact O-N 3.46Å
240	D	97.5	Very high	97.2	Very high	77 Å²	77	29.7 Å²	29.7	41%	0.412	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.9	166.8	-167.8	-59.5	0	0	0	109.1	R208 G243 H244	R208-D240 IonicContact CZ-OD2 3.56Å; R208-D240 VanDerWaalsContact CZ-OD2 3.27Å; R208-D240 IonicContact NH1-OD2 3.99Å; R208-D240 PolarHBondContact NH1-OD2 3.49Å; R208-D240 IonicContact NH2-OD2 3Å; R208-D240 PolarHBondContact NH2-OD2 3.29Å; D240-G243 WeakPolarHBondContact OD1-CA 3.1Å; D240-G243 PolarHBondContact OD1-N 3Å; D240-H244 WeakPolarHBondContact CA-O 3.44Å
241	Y	96.9	Very high	97.4	Very high	43 Å²	43	29.7 Å²	29.7	17%	0.169	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	97.3	176.3	-173.3	-102.3	0	0	0	109.4	V149 L157 L165 F239 G243 H244	V149-Y241 HydrophobicContact CG1-CE1 3.94Å; V149-Y241 HydrophobicContact CG2-CE1 4.17Å; V149-Y241 WeakPolarHBondContact CG2-OH 3.33Å; L157-Y241 HydrophobicContact CD1-CE1 4.3Å; L157-Y241 HydrophobicContact CD2-CD1 4.06Å; L157-Y241 HydrophobicContact CD2-CE1 4.12Å; L165-Y241 HydrophobicContact CD2-CD1 4.46Å; L165-Y241 HydrophobicContact CG-CD1 4.25Å; L165-Y241 HydrophobicContact CG-CE1 4.06Å; L165-Y241 HydrophobicContact CG-CE2 4.49Å; F239-Y241 HydrophobicContact CE2-CG 4.46Å; Y241-G243 VanDerWaalsContact C-N 3.25Å; Y241-G243 PolarHBondContact O-N 2.57Å; Y241-H244 PolarHBondContact N-O 2.84Å; Y241-H244 WeakPolarHBondContact O-CB 3.43Å; Y241-H244 PolarHBondContact O-CD2 3Å; Y241-H244 PolarHBondContact O-N 2.97Å
242	H	95.1	Very high	97.5	Very high	120 Å²	120	30.4 Å²	30.4	56%	0.556	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	33.9	178.6	-63.6	-89.4	0	0	0	114.5	V149 N203	V149-H242 HydrophobicContact CG1-CB 3.98Å; N203-H242 PolarHBondContact ND2-O 3.07Å
243	G	95.3	Very high	97.5	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	0	-175.3	0	0	0	0	0	113.8	N203 R208 D240 Y241	N203-G243 WeakPolarHBondContact OD1-CA 3.42Å; N203-G243 PolarHBondContact OD1-O 3.15Å; R208-G243 WeakPolarHBondContact CD-O 3.49Å; R208-G243 PolarHBondContact NH1-O 3.48Å; D240-G243 WeakPolarHBondContact OD1-CA 3.1Å; D240-G243 PolarHBondContact OD1-N 3Å; Y241-G243 VanDerWaalsContact C-N 3.25Å; Y241-G243 PolarHBondContact O-N 2.57Å
244	H	97.9	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.2	166.3	-61	-80	0	0	0	110.2	D151 G155 L157 I200 I201 N203 D240 Y241 C246	D151-H244 IonicContact OD1-CE1 3.51Å; D151-H244 IonicContact OD1-NE2 2.88Å; D151-H244 PolarHBondContact OD1-NE2 2.93Å; D151-H244 IonicContact OD2-CE1 3.92Å; D151-H244 IonicContact OD2-NE2 3.65Å; G155-H244 PolarHBondContact O-CE1 3.5Å; L157-H244 PolarHBondContact N-CE1 2.94Å; I200-H244 HydrophobicContact CG2-CB 3.98Å; I201-H244 WeakPolarHBondContact O-CB 3.41Å; I201-H244 PolarHBondContact O-ND1 2.9Å; N203-H244 VanDerWaalsContact CB-CE1 3.49Å; N203-H244 WeakPolarHBondContact CB-CE1 3.43Å; N203-H244 PolarHBondContact N-ND1 3.13Å; D240-H244 WeakPolarHBondContact CA-O 3.44Å; Y241-H244 PolarHBondContact N-O 2.84Å; Y241-H244 WeakPolarHBondContact O-CB 3.43Å; Y241-H244 PolarHBondContact O-CD2 3Å; Y241-H244 PolarHBondContact O-N 2.97Å; H244-C246 PolarHBondContact O-N 3.48Å
245	V	98.2	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.8	166.8	-178.7	0	0	0	0	107.4	I201 R208 A211 M212 I247	I201-V245 HydrophobicContact CB-CB 4.21Å; I201-V245 VanDerWaalsContact CB-O 3.28Å; I201-V245 WeakPolarHBondContact CB-O 3.47Å; I201-V245 HydrophobicContact CG1-CB 4.25Å; I201-V245 WeakPolarHBondContact CG1-O 3.47Å; I201-V245 PolarHBondContact N-O 2.91Å; R208-V245 HydrophobicContact CB-CG2 4.18Å; R208-V245 HydrophobicContact CG-CG2 4.23Å; A211-V245 HydrophobicContact CB-CB 4.08Å; A211-V245 HydrophobicContact CB-CG1 3.95Å; M212-V245 HydrophobicContact SD-CG1 4.31Å; M212-V245 HydrophobicContact SD-CG2 4.35Å; V245-I247 HydrophobicContact CG1-CG1 4.25Å
246	C	98.4	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.8	179.5	-67.1	0	0	0	0	109.4	L198 K199 W238 F239 H244	L198-C246 HydrophobicContact CD1-CB 4.18Å; K199-C246 CarbonylContact O-C 3.57Å; K199-C246 VanDerWaalsContact O-CA 3.27Å; K199-C246 WeakPolarHBondContact O-CA 3.42Å; W238-C246 CarbonylContact C-O 3.55Å; W238-C246 WeakPolarHBondContact CA-O 3.47Å; F239-C246 HydrophobicContact CD1-CB 4.15Å; F239-C246 HydrophobicContact CD2-CB 3.84Å; F239-C246 HydrophobicContact CE1-CB 3.81Å; F239-C246 HydrophobicContact CE2-CB 3.5Å; F239-C246 VanDerWaalsContact CE2-CB 3.5Å; F239-C246 HydrophobicContact CG-CB 4.16Å; F239-C246 HydrophobicContact CZ-CB 3.48Å; F239-C246 VanDerWaalsContact CZ-CB 3.48Å; F239-C246 PolarHBondContact N-O 3.4Å; F239-C246 PolarHBondContact O-N 3.46Å; H244-C246 PolarHBondContact O-N 3.48Å
247	I	98.6	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.5	-179.7	-47.1	174.6	0	0	0	108.5	K199 V215 L218 M235 V245 F249	K199-I247 HydrophobicContact CB-CB 4.42Å; K199-I247 PolarHBondContact N-O 3.2Å; K199-I247 PolarHBondContact O-N 3.15Å; V215-I247 HydrophobicContact CG2-CD1 3.62Å; V215-I247 HydrophobicContact CG2-CG1 3.8Å; L218-I247 HydrophobicContact CD1-CG2 4.19Å; M235-I247 HydrophobicContact CG-CG2 3.63Å; M235-I247 HydrophobicContact SD-CG2 3.64Å; V245-I247 HydrophobicContact CG1-CG1 4.25Å; I247-F249 HydrophobicContact CB-CE2 3.78Å; I247-F249 HydrophobicContact CB-CZ 4.03Å; I247-F249 HydrophobicContact CG2-CD2 4.32Å; I247-F249 HydrophobicContact CG2-CE1 4Å; I247-F249 HydrophobicContact CG2-CE2 3.54Å; I247-F249 HydrophobicContact CG2-CZ 3.36Å
248	A	98.4	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.8	179.5	0	0	0	0	0	110.4	Y169 A197 L198 M235 L236 D237	Y169-A248 HydrophobicContact CE1-CB 4.37Å; A197-A248 CarbonylContact O-C 3.5Å; A197-A248 WeakPolarHBondContact O-CA 3.47Å; L198-A248 HydrophobicContact CD1-CB 3.87Å; M235-A248 CarbonylContact C-O 3.58Å; L236-A248 HydrophobicContact CB-CB 4.43Å; L236-A248 PolarHBondContact N-O 2.75Å; D237-A248 HydrophobicContact CB-CB 4.22Å; D237-A248 PolarHBondContact O-N 2.91Å
249	F	98.4	Very high	97.6	Very high	21 Å²	21	29.2 Å²	29.2	9%	0.092	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.7	178.9	-59.9	-83.7	0	0	0	110.6	V196 A197 K199 L218 V233 M235 I247	V196-F249 WeakPolarHBondContact CA-O 3.26Å; V196-F249 WeakPolarHBondContact CB-O 3.34Å; A197-F249 HydrophobicContact CB-CB 4.45Å; A197-F249 PolarHBondContact N-O 3.34Å; A197-F249 PolarHBondContact O-N 3.49Å; K199-F249 HydrophobicContact CB-CE2 3.96Å; K199-F249 HydrophobicContact CD-CE2 4.3Å; L218-F249 HydrophobicContact CD1-CE1 3.54Å; L218-F249 HydrophobicContact CD1-CZ 3.68Å; L218-F249 HydrophobicContact CD2-CE1 4.04Å; L218-F249 HydrophobicContact CG-CE1 4.45Å; V233-F249 HydrophobicContact CG1-CD1 3.99Å; V233-F249 HydrophobicContact CG1-CE1 4.05Å; V233-F249 HydrophobicContact CG2-CB 4.03Å; V233-F249 HydrophobicContact CG2-CD1 3.75Å; V233-F249 HydrophobicContact CG2-CG 4.22Å; M235-F249 HydrophobicContact CB-CD1 4.35Å; M235-F249 HydrophobicContact CB-CE1 4.23Å; I247-F249 HydrophobicContact CB-CE2 3.78Å; I247-F249 HydrophobicContact CB-CZ 4.03Å; I247-F249 HydrophobicContact CG2-CD2 4.32Å; I247-F249 HydrophobicContact CG2-CE1 4Å; I247-F249 HydrophobicContact CG2-CE2 3.54Å; I247-F249 HydrophobicContact CG2-CZ 3.36Å
250	E	97	Very high	97.6	Very high	36 Å²	36	28.7 Å²	28.7	17%	0.168	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	140.4	162.4	70.2	-163.1	132.1	0	0	110.1	V233 H234 L252 K330	V233-E250 HydrophobicContact CG2-CG 4.15Å; H234-E250 PolarHBondContact N-OE1 3.11Å; H234-E250 IonicContact ND1-OE1 3.38Å; H234-E250 PolarHBondContact O-N 3.44Å; E250-L252 HydrophobicContact CG-CD2 4.04Å; E250-L252 HydrophobicContact CG-CG 4.23Å; E250-K330 WeakPolarHBondContact OE1-CD 3.49Å; E250-K330 IonicContact OE1-NZ 2.94Å; E250-K330 PolarHBondContact OE1-NZ 3.3Å; E250-K330 IonicContact OE2-NZ 3.06Å; E250-K330 PolarHBondContact OE2-NZ 3.15Å
251	L	97.9	Very high	97.6	Very high	57 Å²	57	30.2 Å²	30.2	30%	0.298	15%	0.151	S	C	.	.			trans	-74.3	132.3	174.3	-174.3	71.6	0	0	0	109.5	L175 E185 R195 A197	L175-L251 HydrophobicContact CD1-CD1 3.77Å; E185-L251 HydrophobicContact CG-CD1 4.2Å; E185-L251 HydrophobicContact CG-CD2 4.34Å; E185-L251 WeakPolarHBondContact OE1-CD2 3.22Å; R195-L251 HydrophobicContact CB-CB 4.43Å; R195-L251 HydrophobicContact CB-CD2 3.76Å; A197-L251 HydrophobicContact CB-CD1 4.21Å
252	L	98	Very high	97.5	Very high	28 Å²	28	33 Å²	33	15%	0.147	17%	0.166	C	C	.	.			trans	-119.3	168.1	177.3	-61.8	175	0	0	0	110	V233 E250 L303 I305 K330 V332	V233-L252 HydrophobicContact CG2-CD1 4.2Å; E250-L252 HydrophobicContact CG-CD2 4.04Å; E250-L252 HydrophobicContact CG-CG 4.23Å; L252-L303 HydrophobicContact CB-CB 4.11Å; L252-L303 HydrophobicContact CB-CD2 3.95Å; L252-L303 HydrophobicContact CD1-CB 3.89Å; L252-L303 HydrophobicContact CD1-CD2 4.13Å; L252-I305 HydrophobicContact CD2-CG1 4.48Å; L252-K330 HydrophobicContact CD1-CB 4.02Å; L252-K330 HydrophobicContact CD1-CD 4.44Å; L252-K330 HydrophobicContact CD2-CD 4.14Å; L252-V332 HydrophobicContact CD1-CG1 4.08Å
253	G	97.8	Very high	97.5	Very high	22 Å²	22	27.6 Å²	27.6	23%	0.227	14%	0.141	C	C	.	.			trans	-74.9	-161.2	172.6	0	0	0	0	0	113.2	L304 I305	G253-L304 WeakPolarHBondContact CA-O 3.18Å; G253-L304 PolarHBondContact N-O 3.07Å; G253-I305 PolarHBondContact N-O 3.42Å
254	L	97.5	Very high	97.5	Very high	46 Å²	46	33.2 Å²	33.2	24%	0.241	17%	0.168	C	C	.	.			trans	-59.5	151.1	178.9	-64.8	176.7	0	0	0	112.6	D258 F259 L304 S307	L254-D258 HydrophobicContact CB-CB 4.39Å; L254-D258 HydrophobicContact CD2-CB 4.34Å; L254-F259 HydrophobicContact CB-CB 4.45Å; L254-F259 HydrophobicContact CD1-CD2 4.45Å; L254-L304 PolarHBondContact O-N 2.9Å; L254-S307 PolarHBondContact N-OG 3.03Å
255	S	98.3	Very high	97.4	Very high	8 Å²	8	37.1 Å²	37.1	6%	0.056	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-61.2	150.4	161.4	76.7	0	0	0	0	109.8	Y257 D258 F259 E300	S255-Y257 PolarHBondContact O-N 3.21Å; S255-D258 PolarHBondContact O-N 2.86Å; S255-D258 VanDerWaalsContact O-N 3.1Å; S255-D258 WeakPolarHBondContact OG-CB 3.29Å; S255-D258 PolarHBondContact OG-N 2.86Å; S255-D258 PolarHBondContact OG-OD2 2.84Å; S255-F259 PolarHBondContact O-N 2.83Å; S255-E300 WeakPolarHBondContact CB-O 3.19Å
256	T	98.6	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-27.4	176.6	56.6	0	0	0	0	112	L260 M276 P299 I302 L304 V329 Y380	T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.04Å; T256-L260 VanDerWaalsContact O-N 3.11Å; T256-M276 HydrophobicContact CG2-SD 4.18Å; T256-P299 PolarHBondContact N-O 3.26Å; T256-P299 WeakPolarHBondContact OG1-CA 3.5Å; T256-P299 PolarHBondContact OG1-O 2.83Å; T256-I302 HydrophobicContact CG2-CB 4.36Å; T256-I302 HydrophobicContact CG2-CG2 3.9Å; T256-I302 WeakPolarHBondContact CG2-O 3.26Å; T256-I302 PolarHBondContact N-O 2.92Å; T256-I302 PolarHBondContact OG1-O 3Å; T256-L304 HydrophobicContact CG2-CD2 4.4Å; T256-L304 HydrophobicContact CG2-CG 4.29Å; T256-V329 HydrophobicContact CG2-CG1 4.19Å; T256-Y380 WeakPolarHBondContact CB-OH 3.44Å; T256-Y380 HydrophobicContact CG2-CE1 4.39Å; T256-Y380 WeakPolarHBondContact CG2-OH 3.48Å; T256-Y380 WeakPolarHBondContact OG1-CE1 3.46Å; T256-Y380 PolarHBondContact OG1-OH 3.46Å
257	Y	98	Very high	97.1	Very high	65 Å²	65	40.4 Å²	40.4	26%	0.255	20%	0.203	S	C	.	.	H	α-helix	trans	-65.1	-51.5	169.4	-178	-102.5	0	0	0	112.6	S255 F259 L260 K261 F265 P299 E300	S255-Y257 PolarHBondContact O-N 3.21Å; Y257-F259 VanDerWaalsContact C-N 3.28Å; Y257-F259 PolarHBondContact O-N 3.2Å; Y257-L260 WeakPolarHBondContact O-CB 3.4Å; Y257-L260 PolarHBondContact O-N 3.31Å; Y257-K261 HydrophobicContact CE1-CD 4.25Å; Y257-K261 WeakPolarHBondContact O-CB 3.45Å; Y257-K261 PolarHBondContact O-N 2.9Å; Y257-F265 HydrophobicContact CE2-CE1 4.24Å; Y257-P299 PolarHBondContact N-O 3Å; Y257-E300 HydrophobicContact CD1-CG 4.05Å; Y257-E300 HydrophobicContact CG-CG 3.91Å
258	D	97.6	Very high	97	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-36.5	-178.5	-70.3	-50	0	0	0	111	L254 S255 K261 E262	L254-D258 HydrophobicContact CB-CB 4.39Å; L254-D258 HydrophobicContact CD2-CB 4.34Å; S255-D258 PolarHBondContact O-N 2.86Å; S255-D258 VanDerWaalsContact O-N 3.1Å; S255-D258 WeakPolarHBondContact OG-CB 3.29Å; S255-D258 PolarHBondContact OG-N 2.86Å; S255-D258 PolarHBondContact OG-OD2 2.84Å; D258-K261 WeakPolarHBondContact O-CB 3.32Å; D258-K261 PolarHBondContact O-N 3.18Å; D258-E262 WeakPolarHBondContact O-CB 3.27Å; D258-E262 WeakPolarHBondContact O-CG 3.47Å; D258-E262 PolarHBondContact O-N 3.23Å
259	F	97.4	Very high	96.8	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-48	171.9	-173	-85.7	0	0	0	112	L254 S255 Y257 K261 E262 N263 F268 L304 Y309 R322 L324	L254-F259 HydrophobicContact CB-CB 4.45Å; L254-F259 HydrophobicContact CD1-CD2 4.45Å; S255-F259 PolarHBondContact O-N 2.83Å; Y257-F259 VanDerWaalsContact C-N 3.28Å; Y257-F259 PolarHBondContact O-N 3.2Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 2.97Å; F259-E262 PolarHBondContact O-N 3.26Å; F259-N263 VanDerWaalsContact O-CB 3.26Å; F259-N263 WeakPolarHBondContact O-CB 3.32Å; F259-N263 PolarHBondContact O-N 3.13Å; F259-F268 HydrophobicContact CD1-CD1 4.45Å; F259-F268 AromaticContact CD1-CE1 3.35Å; F259-F268 HydrophobicContact CD1-CE1 3.35Å; F259-F268 AromaticContact CD1-CZ 3.61Å; F259-F268 HydrophobicContact CD1-CZ 3.61Å; F259-F268 HydrophobicContact CE1-CD1 4.35Å; F259-F268 AromaticContact CE1-CE1 3.58Å; F259-F268 HydrophobicContact CE1-CE1 3.58Å; F259-F268 HydrophobicContact CE1-CZ 4.29Å; F259-F268 HydrophobicContact CG-CE1 4.32Å; F259-F268 HydrophobicContact CG-CZ 4.38Å; F259-L304 HydrophobicContact CB-CD1 3.97Å; F259-L304 HydrophobicContact CD2-CD1 3.89Å; F259-L304 HydrophobicContact CG-CD1 4Å; F259-Y309 AromaticContact CE2-CD1 3.9Å; F259-Y309 HydrophobicContact CE2-CD1 3.9Å; F259-Y309 HydrophobicContact CE2-CG 4.37Å; F259-Y309 HydrophobicContact CZ-CD1 4.4Å; F259-Y309 HydrophobicContact CZ-CG 4.47Å; F259-R322 HydrophobicContact CZ-CB 4.39Å; F259-L324 HydrophobicContact CD2-CD2 3.82Å; F259-L324 HydrophobicContact CE1-CD2 4.22Å; F259-L324 HydrophobicContact CE1-CG 4.12Å; F259-L324 HydrophobicContact CE2-CD2 3.32Å; F259-L324 HydrophobicContact CE2-CG 4.08Å; F259-L324 HydrophobicContact CG-CD2 4.45Å; F259-L324 HydrophobicContact CZ-CD2 3.55Å; F259-L324 HydrophobicContact CZ-CG 3.76Å
260	L	97.2	Very high	96.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-46	175	-78.9	172.2	0	0	0	111.1	T256 Y257 N263 N264 F265 Q266 F268 Y380	T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.04Å; T256-L260 VanDerWaalsContact O-N 3.11Å; Y257-L260 WeakPolarHBondContact O-CB 3.4Å; Y257-L260 PolarHBondContact O-N 3.31Å; L260-N263 CarbonylContact O-C 3.53Å; L260-N263 VanDerWaalsContact O-C 3.25Å; L260-N263 WeakPolarHBondContact O-CA 3.49Å; L260-N263 PolarHBondContact O-N 3.5Å; L260-N263 VanDerWaalsContact O-N 3.1Å; L260-N264 PolarHBondContact O-N 2.87Å; L260-F265 HydrophobicContact CB-CD1 4.46Å; L260-F265 VanDerWaalsContact O-CA 3.31Å; L260-F265 WeakPolarHBondContact O-CA 3.36Å; L260-F265 PolarHBondContact O-N 2.88Å; L260-Q266 WeakPolarHBondContact CD2-O 3.35Å; L260-F268 HydrophobicContact CD1-CD2 4.47Å; L260-F268 HydrophobicContact CD1-CE2 3.86Å; L260-F268 HydrophobicContact CD2-CD2 3.77Å; L260-F268 HydrophobicContact CD2-CE2 3.53Å; L260-F268 HydrophobicContact CD2-CZ 4.1Å; L260-F268 HydrophobicContact CG-CD2 4.2Å; L260-F268 HydrophobicContact CG-CE2 3.47Å; L260-F268 VanDerWaalsContact CG-CE2 3.47Å; L260-F268 HydrophobicContact CG-CZ 3.95Å; L260-Y380 HydrophobicContact CD1-CD1 4.17Å
261	K	96.6	Very high	96.6	Very high	110 Å²	110	47.6 Å²	47.6	48%	0.478	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-46.1	179.6	-179.8	-177.3	175.1	-172.6	0	112.1	Y257 D258 F259 N263 N264 F265	Y257-K261 HydrophobicContact CE1-CD 4.25Å; Y257-K261 WeakPolarHBondContact O-CB 3.45Å; Y257-K261 PolarHBondContact O-N 2.9Å; D258-K261 WeakPolarHBondContact O-CB 3.32Å; D258-K261 PolarHBondContact O-N 3.18Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 2.97Å; K261-N263 PolarHBondContact O-N 3.32Å; K261-N264 PolarHBondContact O-N 2.97Å; K261-F265 HydrophobicContact CB-CE1 4.16Å; K261-F265 HydrophobicContact CB-CZ 3.99Å; K261-F265 HydrophobicContact CG-CE2 4.37Å; K261-F265 HydrophobicContact CG-CZ 3.98Å
262	E	95.5	Very high	96.6	Very high	102 Å²	102	45.6 Å²	45.6	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-27.1	175	-73.5	-168.9	-170.4	0	0	112.6	D258 F259 N264 R322	D258-E262 WeakPolarHBondContact O-CB 3.27Å; D258-E262 WeakPolarHBondContact O-CG 3.47Å; D258-E262 PolarHBondContact O-N 3.23Å; F259-E262 PolarHBondContact O-N 3.26Å; E262-N264 PolarHBondContact O-N 2.88Å; E262-R322 PolarHBondContact O-NH1 2.92Å; E262-R322 PolarHBondContact O-NH2 3.01Å
263	N	94.5	Very high	96.6	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	20.3	172.3	-161.3	28.3	0	0	0	113.1	F259 L260 K261 F265 Q266 R322	F259-N263 VanDerWaalsContact O-CB 3.26Å; F259-N263 WeakPolarHBondContact O-CB 3.32Å; F259-N263 PolarHBondContact O-N 3.13Å; L260-N263 CarbonylContact O-C 3.53Å; L260-N263 VanDerWaalsContact O-C 3.25Å; L260-N263 WeakPolarHBondContact O-CA 3.49Å; L260-N263 PolarHBondContact O-N 3.5Å; L260-N263 VanDerWaalsContact O-N 3.1Å; K261-N263 PolarHBondContact O-N 3.32Å; N263-F265 PolarHBondContact O-N 3.08Å; N263-Q266 PolarHBondContact ND2-O 3.22Å; N263-Q266 WeakPolarHBondContact O-CB 3.42Å; N263-Q266 WeakPolarHBondContact O-CG 3.44Å; N263-Q266 PolarHBondContact O-N 3.38Å; N263-R322 VanDerWaalsContact OD1-CD 3.27Å; N263-R322 WeakPolarHBondContact OD1-CD 3.27Å; N263-R322 VanDerWaalsContact OD1-CG 3.29Å; N263-R322 WeakPolarHBondContact OD1-CG 3.37Å
264	N	95.2	Very high	96.7	Very high	130 Å²	130	44.3 Å²	44.3	70%	0.695	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.7	-179.6	-56.8	-66.4	0	0	0	113.7	L260 K261 E262 Q266	L260-N264 PolarHBondContact O-N 2.87Å; K261-N264 PolarHBondContact O-N 2.97Å; E262-N264 PolarHBondContact O-N 2.88Å; N264-Q266 PolarHBondContact O-N 2.9Å
265	F	96.1	Very high	96.7	Very high	83 Å²	83	44.6 Å²	44.6	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.5	-176.6	-59.2	-77.9	0	0	0	113.5	Y257 L260 K261 N263 G383	Y257-F265 HydrophobicContact CE2-CE1 4.24Å; L260-F265 HydrophobicContact CB-CD1 4.46Å; L260-F265 VanDerWaalsContact O-CA 3.31Å; L260-F265 WeakPolarHBondContact O-CA 3.36Å; L260-F265 PolarHBondContact O-N 2.88Å; K261-F265 HydrophobicContact CB-CE1 4.16Å; K261-F265 HydrophobicContact CB-CZ 3.99Å; K261-F265 HydrophobicContact CG-CE2 4.37Å; K261-F265 HydrophobicContact CG-CZ 3.98Å; N263-F265 PolarHBondContact O-N 3.08Å; F265-G383 WeakPolarHBondContact CB-O 3.43Å; F265-G383 WeakPolarHBondContact CD1-O 3.43Å; F265-G383 WeakPolarHBondContact O-CA 3.44Å
266	Q	94.9	Very high	96.7	Very high	38 Å²	38	44.2 Å²	44.2	18%	0.178	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-70.4	133.1	165.5	-68	-165.1	41.1	0	0	109.7	L260 N263 N264 D320	L260-Q266 WeakPolarHBondContact CD2-O 3.35Å; N263-Q266 PolarHBondContact ND2-O 3.22Å; N263-Q266 WeakPolarHBondContact O-CB 3.42Å; N263-Q266 WeakPolarHBondContact O-CG 3.44Å; N263-Q266 PolarHBondContact O-N 3.38Å; N264-Q266 PolarHBondContact O-N 2.9Å; Q266-D320 PolarHBondContact NE2-O 3.47Å; Q266-D320 VanDerWaalsContact NE2-O 3.13Å; Q266-D320 PolarHBondContact OE1-O 3.16Å
267	P	95.7	Very high	96.7	Very high	31 Å²	31	44.2 Å²	44.2	20%	0.201	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69	160	-175.4	28.5	-36.1	0	0	0	112.6	Y380 Y381	P267-Y380 WeakPolarHBondContact CA-O 3.33Å; P267-Y380 WeakPolarHBondContact CB-O 3.36Å; P267-Y381 VanDerWaalsContact CB-C 3.5Å; P267-Y381 WeakPolarHBondContact CB-O 3.26Å
268	F	96.5	Very high	96.8	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.039	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.8	146.8	172.6	-67.3	-77.1	0	0	0	111.4	F259 L260 I273 M276 L324 Y380	F259-F268 HydrophobicContact CD1-CD1 4.45Å; F259-F268 AromaticContact CD1-CE1 3.35Å; F259-F268 HydrophobicContact CD1-CE1 3.35Å; F259-F268 AromaticContact CD1-CZ 3.61Å; F259-F268 HydrophobicContact CD1-CZ 3.61Å; F259-F268 HydrophobicContact CE1-CD1 4.35Å; F259-F268 AromaticContact CE1-CE1 3.58Å; F259-F268 HydrophobicContact CE1-CE1 3.58Å; F259-F268 HydrophobicContact CE1-CZ 4.29Å; F259-F268 HydrophobicContact CG-CE1 4.32Å; F259-F268 HydrophobicContact CG-CZ 4.38Å; L260-F268 HydrophobicContact CD1-CD2 4.47Å; L260-F268 HydrophobicContact CD1-CE2 3.86Å; L260-F268 HydrophobicContact CD2-CD2 3.77Å; L260-F268 HydrophobicContact CD2-CE2 3.53Å; L260-F268 HydrophobicContact CD2-CZ 4.1Å; L260-F268 HydrophobicContact CG-CD2 4.2Å; L260-F268 HydrophobicContact CG-CE2 3.47Å; L260-F268 VanDerWaalsContact CG-CE2 3.47Å; L260-F268 HydrophobicContact CG-CZ 3.95Å; F268-I273 HydrophobicContact CB-CD1 4.27Å; F268-I273 HydrophobicContact CB-CG1 3.71Å; F268-I273 WeakPolarHBondContact O-CD1 3.47Å; F268-M276 HydrophobicContact CB-CE 4.14Å; F268-M276 HydrophobicContact CD1-CE 3.92Å; F268-M276 HydrophobicContact CD2-CE 3.86Å; F268-M276 HydrophobicContact CE1-CE 4.25Å; F268-M276 HydrophobicContact CE2-CE 4.18Å; F268-M276 HydrophobicContact CG-CE 3.71Å; F268-M276 HydrophobicContact CZ-CE 4.38Å; F268-L324 HydrophobicContact CD1-CD1 4.11Å; F268-L324 HydrophobicContact CE1-CD1 3.66Å; F268-L324 HydrophobicContact CE1-CG 4.41Å; F268-Y380 AromaticContact CD2-CD1 3.94Å; F268-Y380 HydrophobicContact CD2-CD1 3.94Å; F268-Y380 AromaticContact CD2-CG 3.91Å; F268-Y380 HydrophobicContact CD2-CG 3.91Å; F268-Y380 AromaticContact CE2-CD1 3.79Å; F268-Y380 HydrophobicContact CE2-CD1 3.79Å; F268-Y380 HydrophobicContact CE2-CE1 4.16Å; F268-Y380 HydrophobicContact CE2-CG 4.19Å; F268-Y380 PolarHBondContact N-O 2.99Å
269	P	94.9	Very high	96.8	Very high	31 Å²	31	41.1 Å²	41.1	20%	0.201	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-58.3	139.8	168.5	-23.7	33.8	0	0	0	111.5	K271 Q272 I273	P269-K271 PolarHBondContact O-N 3.25Å; P269-Q272 HydrophobicContact CB-CG 4.43Å; P269-Q272 HydrophobicContact CG-CG 4.5Å; P269-Q272 WeakPolarHBondContact O-CA 3.46Å; P269-Q272 WeakPolarHBondContact O-CB 3.46Å; P269-Q272 PolarHBondContact O-N 3.44Å; P269-I273 PolarHBondContact O-N 3.18Å
270	V	95.9	Very high	96.9	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-54.6	-31.4	-175.6	72.2	0	0	0	0	113.6	I273 R274 D454 L458 F484	V270-I273 PolarHBondContact O-N 3.31Å; V270-R274 PolarHBondContact O-N 3.5Å; V270-D454 HydrophobicContact CG1-CB 4.16Å; V270-D454 HydrophobicContact CG2-CB 4.27Å; V270-L458 HydrophobicContact CG2-CD2 4.11Å; V270-F484 HydrophobicContact CG2-CE2 4.31Å
271	K	95.6	Very high	96.9	Very high	151 Å²	151	41 Å²	41	66%	0.657	20%	0.195	S	C	*	.	H	α-helix	trans	-66.4	-38.8	175.8	-64.9	-178	-178.9	176.3	0	112.1	P269 R274 H275	P269-K271 PolarHBondContact O-N 3.25Å; K271-R274 WeakPolarHBondContact O-CB 3.36Å; K271-R274 PolarHBondContact O-N 3.02Å; K271-H275 PolarHBondContact O-N 2.94Å; K271-H275 VanDerWaalsContact O-N 3.14Å
272	Q	97.3	Very high	97	Very high	15 Å²	15	39.1 Å²	39.1	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-71.6	-39.8	174.5	-63.9	-167.3	-15.1	0	0	111	P269 R274 H275 M276 L324 P327	P269-Q272 HydrophobicContact CB-CG 4.43Å; P269-Q272 HydrophobicContact CG-CG 4.5Å; P269-Q272 WeakPolarHBondContact O-CA 3.46Å; P269-Q272 WeakPolarHBondContact O-CB 3.46Å; P269-Q272 PolarHBondContact O-N 3.44Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 3.07Å; Q272-H275 WeakPolarHBondContact O-CB 3.49Å; Q272-H275 PolarHBondContact O-N 3.32Å; Q272-M276 HydrophobicContact CB-CE 4.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.37Å; Q272-M276 PolarHBondContact O-N 3.48Å; Q272-L324 PolarHBondContact NE2-O 3.2Å; Q272-P327 HydrophobicContact CB-CB 4.15Å; Q272-P327 HydrophobicContact CG-CB 4.21Å; Q272-P327 HydrophobicContact CG-CG 4.4Å
273	I	98.4	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.9	-45.1	172.7	-58.8	179	0	0	0	110.2	F268 P269 V270 H275 M276 A277 L377 Y381 L458	F268-I273 HydrophobicContact CB-CD1 4.27Å; F268-I273 HydrophobicContact CB-CG1 3.71Å; F268-I273 WeakPolarHBondContact O-CD1 3.47Å; P269-I273 PolarHBondContact O-N 3.18Å; V270-I273 PolarHBondContact O-N 3.31Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 2.94Å; I273-M276 PolarHBondContact O-N 3.42Å; I273-A277 WeakPolarHBondContact O-CB 3.45Å; I273-A277 PolarHBondContact O-N 3.29Å; I273-L377 HydrophobicContact CG2-CD2 4.27Å; I273-Y381 HydrophobicContact CD1-CD2 4.03Å; I273-Y381 HydrophobicContact CD1-CG 4.44Å; I273-L458 HydrophobicContact CD1-CD2 4.45Å; I273-L458 HydrophobicContact CG2-CD1 4.11Å; I273-L458 HydrophobicContact CG2-CD2 4.07Å
274	R	98.4	Very high	97.3	Very high	23 Å²	23	34 Å²	34	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-45.9	174.4	-173	-172	-65.4	118.8	3.9	112	V270 K271 Q272 Y278 D454 F484 F485 C487 Y488	V270-R274 PolarHBondContact O-N 3.5Å; K271-R274 WeakPolarHBondContact O-CB 3.36Å; K271-R274 PolarHBondContact O-N 3.02Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 3.07Å; R274-Y278 WeakPolarHBondContact O-CB 3.34Å; R274-Y278 PolarHBondContact O-N 3.45Å; R274-D454 IonicContact CZ-OD2 2.59Å; R274-D454 IonicContact NH1-OD2 2.91Å; R274-D454 IonicContact NH2-OD1 3.42Å; R274-D454 PolarHBondContact NH2-OD1 2.86Å; R274-D454 IonicContact NH2-OD2 3.75Å; R274-D454 PolarHBondContact NH2-OD2 3.23Å; R274-F484 HydrophobicContact CB-CE1 3.71Å; R274-F484 HydrophobicContact CB-CE2 4.16Å; R274-F484 HydrophobicContact CB-CZ 3.44Å; R274-F484 VanDerWaalsContact CB-CZ 3.44Å; R274-F484 WeakPolarHBondContact CD-O 3.4Å; R274-F484 HydrophobicContact CG-CD1 4.14Å; R274-F484 HydrophobicContact CG-CE1 3.73Å; R274-F484 HydrophobicContact CG-CE2 4.31Å; R274-F484 HydrophobicContact CG-CZ 3.82Å; R274-F484 PolarHBondContact NE-O 3.4Å; R274-F485 HydrophobicContact CG-CD1 3.85Å; R274-F485 HydrophobicContact CG-CE1 4.03Å; R274-F485 WeakPolarHBondContact O-CE1 3.04Å; R274-C487 WeakPolarHBondContact CD-SG 3.48Å; R274-Y488 HydrophobicContact CG-CE2 4.21Å
275	H	98.1	Very high	97.5	Very high	52 Å²	52	30.9 Å²	30.9	24%	0.241	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-48.3	-178.3	-162.1	-86.5	0	0	0	112.6	K271 Q272 I273 Q279 P327 D328 Y488	K271-H275 PolarHBondContact O-N 2.94Å; K271-H275 VanDerWaalsContact O-N 3.14Å; Q272-H275 WeakPolarHBondContact O-CB 3.49Å; Q272-H275 PolarHBondContact O-N 3.32Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 2.94Å; H275-Q279 PolarHBondContact CE1-NE2 2.91Å; H275-Q279 PolarHBondContact ND1-NE2 3.2Å; H275-Q279 WeakPolarHBondContact O-CG 3.43Å; H275-Q279 PolarHBondContact O-N 2.92Å; H275-Q279 PolarHBondContact O-NE2 2.91Å; H275-Q279 VanDerWaalsContact O-NE2 3.09Å; H275-P327 HydrophobicContact CB-CB 4.36Å; H275-P327 HydrophobicContact CB-CG 3.92Å; H275-P327 PolarHBondContact ND1-O 3.46Å; H275-D328 IonicContact CE1-OD1 3.65Å; H275-D328 PolarHBondContact CE1-OD1 3.04Å; H275-D328 IonicContact ND1-OD1 3.41Å; H275-Y488 VanDerWaalsContact CA-OH 3.3Å; H275-Y488 WeakPolarHBondContact CA-OH 3.37Å; H275-Y488 PolarHBondContact CD2-OH 2.65Å
276	M	98.7	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-45.1	176.8	-65.7	-174.1	-72.6	0	0	111.2	T256 F268 Q272 I273 Y278 Q279 I280 L304 P327 V329 Y380	T256-M276 HydrophobicContact CG2-SD 4.18Å; F268-M276 HydrophobicContact CB-CE 4.14Å; F268-M276 HydrophobicContact CD1-CE 3.92Å; F268-M276 HydrophobicContact CD2-CE 3.86Å; F268-M276 HydrophobicContact CE1-CE 4.25Å; F268-M276 HydrophobicContact CE2-CE 4.18Å; F268-M276 HydrophobicContact CG-CE 3.71Å; F268-M276 HydrophobicContact CZ-CE 4.38Å; Q272-M276 HydrophobicContact CB-CE 4.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.37Å; Q272-M276 PolarHBondContact O-N 3.48Å; I273-M276 PolarHBondContact O-N 3.42Å; M276-Y278 VanDerWaalsContact C-N 3.32Å; M276-Y278 PolarHBondContact O-N 2.84Å; M276-Q279 PolarHBondContact O-N 2.9Å; M276-Q279 VanDerWaalsContact O-N 3.17Å; M276-I280 HydrophobicContact CB-CD1 4.28Å; M276-I280 WeakPolarHBondContact O-CB 3.28Å; M276-I280 WeakPolarHBondContact O-CD1 3.13Å; M276-I280 VanDerWaalsContact O-CG1 3.22Å; M276-I280 WeakPolarHBondContact O-CG1 3.48Å; M276-I280 PolarHBondContact O-N 3.35Å; M276-L304 HydrophobicContact SD-CD2 4.5Å; M276-P327 HydrophobicContact CG-CB 4.26Å; M276-P327 WeakPolarHBondContact CG-O 3.47Å; M276-V329 HydrophobicContact CB-CG1 4.42Å; M276-V329 HydrophobicContact CB-CG2 4.35Å; M276-V329 HydrophobicContact CG-CG1 3.78Å; M276-V329 HydrophobicContact CG-CG2 4.44Å; M276-V329 HydrophobicContact SD-CG1 3.88Å; M276-Y380 HydrophobicContact CB-CE2 4.42Å; M276-Y380 HydrophobicContact CE-CD2 4.07Å; M276-Y380 HydrophobicContact CE-CE2 4.25Å; M276-Y380 HydrophobicContact SD-CE2 4.39Å
277	A	98.8	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.5	-44.8	178.3	0	0	0	0	0	112.1	I273 Q279 I280 I281 L377 F485	I273-A277 WeakPolarHBondContact O-CB 3.45Å; I273-A277 PolarHBondContact O-N 3.29Å; A277-Q279 PolarHBondContact O-N 2.79Å; A277-I280 PolarHBondContact O-N 3.13Å; A277-I281 VanDerWaalsContact O-CB 3.32Å; A277-I281 WeakPolarHBondContact O-CB 3.37Å; A277-I281 WeakPolarHBondContact O-CD1 3.32Å; A277-I281 WeakPolarHBondContact O-CG1 3.22Å; A277-I281 PolarHBondContact O-N 3.02Å; A277-L377 HydrophobicContact CB-CD1 4Å; A277-L377 HydrophobicContact CB-CD2 3.53Å; A277-L377 HydrophobicContact CB-CG 4.43Å; A277-F485 HydrophobicContact CB-CE1 4.04Å; A277-F485 HydrophobicContact CB-CZ 3.95Å
278	Y	98.5	Very high	97.9	Very high	46 Å²	46	25.5 Å²	25.5	18%	0.18	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-44.3	178.9	-174.4	-100.1	0	0	0	111.9	R274 M276 R282 L480 F485 Y488	R274-Y278 WeakPolarHBondContact O-CB 3.34Å; R274-Y278 PolarHBondContact O-N 3.45Å; M276-Y278 VanDerWaalsContact C-N 3.32Å; M276-Y278 PolarHBondContact O-N 2.84Å; Y278-R282 HydrophobicContact CD1-CG 4.47Å; Y278-R282 HydrophobicContact CE1-CG 4.17Å; Y278-R282 WeakPolarHBondContact O-CB 3.49Å; Y278-R282 WeakPolarHBondContact O-CG 3.11Å; Y278-R282 PolarHBondContact O-N 3.25Å; Y278-L480 HydrophobicContact CD2-CD2 3.8Å; Y278-L480 HydrophobicContact CE2-CD2 3.76Å; Y278-F485 HydrophobicContact CD2-CB 4.2Å; Y278-F485 AromaticContact CD2-CD1 3.81Å; Y278-F485 HydrophobicContact CD2-CD1 3.81Å; Y278-F485 HydrophobicContact CD2-CD2 4.49Å; Y278-F485 HydrophobicContact CD2-CE1 4.31Å; Y278-F485 AromaticContact CD2-CG 3.91Å; Y278-F485 HydrophobicContact CD2-CG 3.91Å; Y278-F485 HydrophobicContact CG-CD1 4.34Å; Y278-Y488 HydrophobicContact CD1-CE2 4.46Å; Y278-Y488 HydrophobicContact CD2-CD2 4.05Å; Y278-Y488 HydrophobicContact CD2-CE2 4.23Å; Y278-Y488 HydrophobicContact CE2-CD2 4.34Å; Y278-Y488 HydrophobicContact CG-CD2 4.22Å; Y278-Y488 AromaticContact CG-CE2 3.99Å; Y278-Y488 HydrophobicContact CG-CE2 3.99Å
279	Q	98.3	Very high	98	Very high	16 Å²	16	32.6 Å²	32.6	8%	0.075	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-47.3	177.9	-70	173	88.6	0	0	112.3	H275 M276 A277 R282 A283 P327 D328 V329	H275-Q279 PolarHBondContact CE1-NE2 2.91Å; H275-Q279 PolarHBondContact ND1-NE2 3.2Å; H275-Q279 WeakPolarHBondContact O-CG 3.43Å; H275-Q279 PolarHBondContact O-N 2.92Å; H275-Q279 PolarHBondContact O-NE2 2.91Å; H275-Q279 VanDerWaalsContact O-NE2 3.09Å; M276-Q279 PolarHBondContact O-N 2.9Å; M276-Q279 VanDerWaalsContact O-N 3.17Å; A277-Q279 PolarHBondContact O-N 2.79Å; Q279-R282 PolarHBondContact O-N 3.03Å; Q279-A283 WeakPolarHBondContact O-CB 3.25Å; Q279-A283 PolarHBondContact O-N 3.48Å; Q279-P327 PolarHBondContact NE2-O 3.36Å; Q279-D328 PolarHBondContact OE1-OD1 3.39Å; Q279-V329 HydrophobicContact CB-CG2 3.89Å
280	I	98.8	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-50.8	178.2	-65.9	158.5	0	0	0	110	M276 A277 R282 A283 V284 I302 V329 I331 I373 Y380	M276-I280 HydrophobicContact CB-CD1 4.28Å; M276-I280 WeakPolarHBondContact O-CB 3.28Å; M276-I280 WeakPolarHBondContact O-CD1 3.13Å; M276-I280 VanDerWaalsContact O-CG1 3.22Å; M276-I280 WeakPolarHBondContact O-CG1 3.48Å; M276-I280 PolarHBondContact O-N 3.35Å; A277-I280 PolarHBondContact O-N 3.13Å; I280-R282 VanDerWaalsContact C-N 3.32Å; I280-R282 PolarHBondContact O-N 3.06Å; I280-A283 PolarHBondContact O-N 3.1Å; I280-V284 HydrophobicContact CG2-CG2 4.32Å; I280-V284 WeakPolarHBondContact O-CG2 3.46Å; I280-V284 PolarHBondContact O-N 2.88Å; I280-I302 HydrophobicContact CD1-CD1 3.75Å; I280-I302 HydrophobicContact CD1-CG2 4.26Å; I280-I302 HydrophobicContact CG1-CD1 4.15Å; I280-I302 HydrophobicContact CG1-CG2 4.34Å; I280-V329 HydrophobicContact CG1-CG2 4.09Å; I280-I331 HydrophobicContact CG2-CD1 4.33Å; I280-I373 HydrophobicContact CG2-CD1 4.15Å; I280-I373 HydrophobicContact CG2-CG1 3.95Å; I280-I373 HydrophobicContact CG2-CG2 4.48Å; I280-Y380 HydrophobicContact CD1-CE2 4.1Å
281	I	98.8	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-41.6	179.3	-66.5	165	0	0	0	110.7	A277 K285 I373 L461 M465 L476 A479 L480 F485	A277-I281 VanDerWaalsContact O-CB 3.32Å; A277-I281 WeakPolarHBondContact O-CB 3.37Å; A277-I281 WeakPolarHBondContact O-CD1 3.32Å; A277-I281 WeakPolarHBondContact O-CG1 3.22Å; A277-I281 PolarHBondContact O-N 3.02Å; I281-K285 WeakPolarHBondContact O-CB 3.46Å; I281-K285 PolarHBondContact O-N 3.09Å; I281-I373 HydrophobicContact CG1-CG2 4.39Å; I281-L461 HydrophobicContact CD1-CD2 4.47Å; I281-M465 HydrophobicContact CD1-CE 3.53Å; I281-M465 HydrophobicContact CG1-CE 3.88Å; I281-L476 HydrophobicContact CG1-CD2 4.42Å; I281-L476 HydrophobicContact CG2-CB 4.02Å; I281-L476 HydrophobicContact CG2-CD2 4.02Å; I281-A479 HydrophobicContact CD1-CB 4.25Å; I281-A479 HydrophobicContact CG2-CB 4.07Å; I281-L480 HydrophobicContact CB-CD2 4.01Å; I281-L480 HydrophobicContact CG2-CD1 4.35Å; I281-L480 HydrophobicContact CG2-CD2 3.51Å; I281-L480 HydrophobicContact CG2-CG 3.55Å; I281-F485 HydrophobicContact CD1-CE2 3.71Å; I281-F485 HydrophobicContact CD1-CZ 3.57Å
282	R	98.1	Very high	98.3	Very high	69 Å²	69	30.6 Å²	30.6	26%	0.26	13%	0.133	S	C	.	.	H	α-helix	trans	-62.2	-43.8	176	-81.4	-174.1	66.5	-111.3	-3.4	112.3	R229 Y278 Q279 I280 F286 L480	R229-R282 PolarHBondContact O-NH1 3.5Å; R229-R282 PolarHBondContact O-NH2 2.95Å; Y278-R282 HydrophobicContact CD1-CG 4.47Å; Y278-R282 HydrophobicContact CE1-CG 4.17Å; Y278-R282 WeakPolarHBondContact O-CB 3.49Å; Y278-R282 WeakPolarHBondContact O-CG 3.11Å; Y278-R282 PolarHBondContact O-N 3.25Å; Q279-R282 PolarHBondContact O-N 3.03Å; I280-R282 VanDerWaalsContact C-N 3.32Å; I280-R282 PolarHBondContact O-N 3.06Å; R282-F286 PolarHBondContact O-N 3.03Å; R282-F286 VanDerWaalsContact O-N 3.16Å; R282-L480 HydrophobicContact CG-CD1 3.95Å; R282-L480 HydrophobicContact CG-CD2 3.72Å
283	A	98.5	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.4	-50.2	179.3	0	0	0	0	0	111.5	Q279 I280 K285 F286 L287 I331	Q279-A283 WeakPolarHBondContact O-CB 3.25Å; Q279-A283 PolarHBondContact O-N 3.48Å; I280-A283 PolarHBondContact O-N 3.1Å; A283-K285 VanDerWaalsContact C-N 3.33Å; A283-K285 PolarHBondContact O-N 3.22Å; A283-F286 WeakPolarHBondContact O-CA 3.46Å; A283-F286 VanDerWaalsContact O-CB 3.27Å; A283-F286 WeakPolarHBondContact O-CB 3.44Å; A283-F286 PolarHBondContact O-N 3.2Å; A283-L287 PolarHBondContact O-N 3.33Å; A283-L287 VanDerWaalsContact O-N 3.08Å; A283-I331 HydrophobicContact CB-CD1 3.68Å; A283-I331 HydrophobicContact CB-CG1 4.34Å
284	V	98.8	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-35.8	-179.6	-177.1	0	0	0	0	111.5	I280 F286 L287 H288 L297 I331 D369 I373 L476	I280-V284 HydrophobicContact CG2-CG2 4.32Å; I280-V284 WeakPolarHBondContact O-CG2 3.46Å; I280-V284 PolarHBondContact O-N 2.88Å; V284-F286 PolarHBondContact O-N 3.46Å; V284-L287 WeakPolarHBondContact O-CB 3.29Å; V284-L287 PolarHBondContact O-N 2.82Å; V284-L287 VanDerWaalsContact O-N 3.09Å; V284-H288 WeakPolarHBondContact CG1-NE2 3.43Å; V284-H288 PolarHBondContact O-CD2 2.82Å; V284-H288 PolarHBondContact O-N 3.17Å; V284-L297 HydrophobicContact CG1-CD1 4.25Å; V284-L297 HydrophobicContact CG2-CD1 3.76Å; V284-L297 HydrophobicContact CG2-CD2 4.28Å; V284-I331 HydrophobicContact CG2-CD1 3.43Å; V284-I331 VanDerWaalsContact CG2-CD1 3.43Å; V284-D369 HydrophobicContact CG1-CB 3.87Å; V284-I373 HydrophobicContact CB-CD1 4.17Å; V284-I373 HydrophobicContact CG1-CD1 4.28Å; V284-I373 HydrophobicContact CG2-CD1 4.07Å; V284-L476 HydrophobicContact CB-CD1 3.67Å; V284-L476 HydrophobicContact CG1-CD1 3.5Å
285	K	98.6	Very high	98.4	Very high	65 Å²	65	28.9 Å²	28.9	28%	0.283	13%	0.126	S	C	.	.	H	α-helix	trans	-59.1	-38.6	171.5	178.6	-173.3	152.6	-174.3	0	111.6	I281 A283 H288 K289 L476 E477 L480	I281-K285 WeakPolarHBondContact O-CB 3.46Å; I281-K285 PolarHBondContact O-N 3.09Å; A283-K285 VanDerWaalsContact C-N 3.33Å; A283-K285 PolarHBondContact O-N 3.22Å; K285-H288 PolarHBondContact O-N 3.12Å; K285-K289 WeakPolarHBondContact O-CB 3.27Å; K285-K289 PolarHBondContact O-N 3.44Å; K285-L476 HydrophobicContact CB-CB 3.84Å; K285-L476 HydrophobicContact CB-CD1 4.15Å; K285-L476 HydrophobicContact CG-CB 4.33Å; K285-L476 VanDerWaalsContact N-CD1 3.33Å; K285-E477 WeakPolarHBondContact CE-OE2 3.39Å; K285-E477 IonicContact NZ-OE1 2.82Å; K285-E477 IonicContact NZ-OE2 2.71Å; K285-E477 PolarHBondContact NZ-OE2 3.36Å; K285-L480 HydrophobicContact CD-CD1 3.61Å
286	F	98.4	Very high	98.3	Very high	13 Å²	13	27 Å²	27	6%	0.057	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-41.7	174.6	161	-102.3	0	0	0	111.4	L221 L224 D225 Y230 R282 A283 V284 K289 N290	L221-F286 HydrophobicContact CD2-CE1 3.81Å; L221-F286 HydrophobicContact CD2-CZ 4.27Å; L224-F286 HydrophobicContact CB-CE2 3.93Å; L224-F286 HydrophobicContact CB-CZ 3.71Å; L224-F286 HydrophobicContact CD1-CZ 4.46Å; D225-F286 HydrophobicContact CB-CE1 4.39Å; D225-F286 HydrophobicContact CB-CZ 3.96Å; Y230-F286 HydrophobicContact CD1-CB 3.56Å; Y230-F286 HydrophobicContact CD1-CD2 4.39Å; Y230-F286 AromaticContact CD1-CG 3.99Å; Y230-F286 HydrophobicContact CD1-CG 3.99Å; Y230-F286 HydrophobicContact CD2-CB 4.19Å; Y230-F286 HydrophobicContact CD2-CD1 4.11Å; Y230-F286 AromaticContact CD2-CD2 3.53Å; Y230-F286 HydrophobicContact CD2-CD2 3.53Å; Y230-F286 HydrophobicContact CD2-CE1 4.35Å; Y230-F286 AromaticContact CD2-CE2 3.81Å; Y230-F286 HydrophobicContact CD2-CE2 3.81Å; Y230-F286 AromaticContact CD2-CG 3.68Å; Y230-F286 HydrophobicContact CD2-CG 3.68Å; Y230-F286 HydrophobicContact CD2-CZ 4.21Å; Y230-F286 HydrophobicContact CE1-CB 3.79Å; Y230-F286 HydrophobicContact CE1-CD2 4.33Å; Y230-F286 HydrophobicContact CE1-CG 4.28Å; Y230-F286 HydrophobicContact CE2-CB 4.41Å; Y230-F286 AromaticContact CE2-CD2 3.47Å; Y230-F286 HydrophobicContact CE2-CD2 3.47Å; Y230-F286 VanDerWaalsContact CE2-CD2 3.47Å; Y230-F286 AromaticContact CE2-CE2 3.85Å; Y230-F286 HydrophobicContact CE2-CE2 3.85Å; Y230-F286 HydrophobicContact CE2-CG 4.02Å; Y230-F286 HydrophobicContact CG-CB 3.78Å; Y230-F286 HydrophobicContact CG-CD1 4.01Å; Y230-F286 HydrophobicContact CG-CD2 4.01Å; Y230-F286 AromaticContact CG-CG 3.68Å; Y230-F286 HydrophobicContact CG-CG 3.68Å; Y230-F286 AromaticContact CZ-CD2 3.89Å; R282-F286 PolarHBondContact O-N 3.03Å; R282-F286 VanDerWaalsContact O-N 3.16Å; A283-F286 WeakPolarHBondContact O-CA 3.46Å; A283-F286 VanDerWaalsContact O-CB 3.27Å; A283-F286 WeakPolarHBondContact O-CB 3.44Å; A283-F286 PolarHBondContact O-N 3.2Å; V284-F286 PolarHBondContact O-N 3.46Å; F286-K289 PolarHBondContact O-N 3.47Å; F286-N290 WeakPolarHBondContact CD2-ND2 3.5Å; F286-N290 VanDerWaalsContact CE2-ND2 3.28Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.45Å; F286-N290 PolarHBondContact O-N 3.1Å; F286-N290 PolarHBondContact O-ND2 3.35Å
287	L	98.4	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-51.6	173.1	-52.2	179.8	0	0	0	111.4	L221 A283 V284 K289 N290 K291 L292 H294 F334	L221-L287 HydrophobicContact CD1-CD2 3.8Å; L221-L287 HydrophobicContact CD2-CD2 3.75Å; L221-L287 HydrophobicContact CG-CD2 4.46Å; A283-L287 PolarHBondContact O-N 3.33Å; A283-L287 VanDerWaalsContact O-N 3.08Å; V284-L287 WeakPolarHBondContact O-CB 3.29Å; V284-L287 PolarHBondContact O-N 2.82Å; V284-L287 VanDerWaalsContact O-N 3.09Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 2.89Å; L287-N290 CarbonylContact O-C 3.54Å; L287-N290 VanDerWaalsContact O-C 3.32Å; L287-N290 WeakPolarHBondContact O-CA 3.45Å; L287-N290 PolarHBondContact O-N 3.04Å; L287-K291 PolarHBondContact O-N 2.93Å; L287-L292 CarbonylContact C-O 3.59Å; L287-L292 HydrophobicContact CB-CB 4.45Å; L287-L292 WeakPolarHBondContact CB-O 3.5Å; L287-L292 HydrophobicContact CD2-CD2 4.27Å; L287-L292 PolarHBondContact O-N 3.21Å; L287-L292 VanDerWaalsContact O-N 3.13Å; L287-H294 HydrophobicContact CD1-CB 4.14Å; L287-F334 HydrophobicContact CD1-CE1 3.81Å; L287-F334 HydrophobicContact CD2-CE1 3.81Å; L287-F334 HydrophobicContact CD2-CZ 4.46Å; L287-F334 HydrophobicContact CG-CE1 4.47Å
288	H	98.3	Very high	98.3	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.125	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-36.4	-178.6	-65.3	-180	0	0	0	112.6	V284 K285 N290 K291 L292 H366 D369 L476	V284-H288 WeakPolarHBondContact CG1-NE2 3.43Å; V284-H288 PolarHBondContact O-CD2 2.82Å; V284-H288 PolarHBondContact O-N 3.17Å; K285-H288 PolarHBondContact O-N 3.12Å; H288-N290 PolarHBondContact O-N 3.12Å; H288-K291 PolarHBondContact O-N 2.92Å; H288-K291 VanDerWaalsContact O-N 3.11Å; H288-L292 PolarHBondContact CD2-O 3.24Å; H288-L292 PolarHBondContact N-O 2.89Å; H288-H366 HydrophobicContact CB-CB 4.4Å; H288-H366 AromaticContact CD2-CD2 3.31Å; H288-H366 PolarHBondContact CD2-CD2 2.93Å; H288-H366 AromaticContact CD2-CG 3.8Å; H288-H366 PolarHBondContact CE1-O 3.08Å; H288-H366 AromaticContact CG-CD2 3.64Å; H288-H366 AromaticContact CG-CG 3.76Å; H288-H366 AromaticContact NE2-CD2 3.95Å; H288-H366 PolarHBondContact NE2-O 2.75Å; H288-D369 IonicContact CD2-OD2 3.11Å; H288-D369 IonicContact CE1-OD2 3.61Å; H288-D369 IonicContact NE2-OD2 2.72Å; H288-D369 PolarHBondContact NE2-OD2 3.44Å; H288-L476 WeakPolarHBondContact ND1-CD1 3.44Å
289	K	97.8	Very high	98.3	Very high	157 Å²	157	26.4 Å²	26.4	68%	0.683	12%	0.116	S	C	*	.	H	α-helix	trans	-60.8	-33.4	174.5	-174.5	-177.5	175.2	-169.9	0	111.6	K285 F286 L287 K291	K285-K289 WeakPolarHBondContact O-CB 3.27Å; K285-K289 PolarHBondContact O-N 3.44Å; F286-K289 PolarHBondContact O-N 3.47Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 2.89Å; K289-K291 VanDerWaalsContact C-N 3.3Å
290	N	97.5	Very high	98.3	Very high	38 Å²	38	28.7 Å²	28.7	20%	0.203	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	22.1	178.2	-62.8	-65	0	0	0	113	L224 F286 L287 H288 L292	L224-N290 HydrophobicContact CD1-CB 4.05Å; L224-N290 VanDerWaalsContact CD1-CG 3.43Å; L224-N290 WeakPolarHBondContact CD1-OD1 3.43Å; F286-N290 WeakPolarHBondContact CD2-ND2 3.5Å; F286-N290 VanDerWaalsContact CE2-ND2 3.28Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.45Å; F286-N290 PolarHBondContact O-N 3.1Å; F286-N290 PolarHBondContact O-ND2 3.35Å; L287-N290 CarbonylContact O-C 3.54Å; L287-N290 VanDerWaalsContact O-C 3.32Å; L287-N290 WeakPolarHBondContact O-CA 3.45Å; L287-N290 PolarHBondContact O-N 3.04Å; H288-N290 PolarHBondContact O-N 3.12Å; N290-L292 PolarHBondContact O-N 3.38Å
291	K	97.9	Very high	98.3	Very high	120 Å²	120	29.2 Å²	29.2	52%	0.522	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	27.5	172.7	-47.6	-55.6	-172.9	172.5	0	113.7	L287 H288 K289 Y339 D340	L287-K291 PolarHBondContact O-N 2.93Å; H288-K291 PolarHBondContact O-N 2.92Å; H288-K291 VanDerWaalsContact O-N 3.11Å; K289-K291 VanDerWaalsContact C-N 3.3Å; K291-Y339 CarbonylContact O-C 3.19Å; K291-Y339 WeakPolarHBondContact O-CA 3.42Å; K291-D340 HydrophobicContact CB-CB 4.24Å; K291-D340 WeakPolarHBondContact CD-OD2 3.21Å; K291-D340 PolarHBondContact O-N 3.09Å
292	L	98.2	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.8	-178	-170.9	73.9	0	0	0	109.6	V217 L221 L287 H288 N290 A337 Y339 H366	V217-L292 HydrophobicContact CG1-CD1 4.45Å; V217-L292 HydrophobicContact CG1-CD2 3.59Å; V217-L292 HydrophobicContact CG2-CD1 4.37Å; L221-L292 HydrophobicContact CD1-CD2 4.26Å; L221-L292 HydrophobicContact CD2-CD2 4.19Å; L287-L292 CarbonylContact C-O 3.59Å; L287-L292 HydrophobicContact CB-CB 4.45Å; L287-L292 WeakPolarHBondContact CB-O 3.5Å; L287-L292 HydrophobicContact CD2-CD2 4.27Å; L287-L292 PolarHBondContact O-N 3.21Å; L287-L292 VanDerWaalsContact O-N 3.13Å; H288-L292 PolarHBondContact CD2-O 3.24Å; H288-L292 PolarHBondContact N-O 2.89Å; N290-L292 PolarHBondContact O-N 3.38Å; L292-A337 HydrophobicContact CD1-CB 3.87Å; L292-A337 HydrophobicContact CD2-CB 4.12Å; L292-A337 HydrophobicContact CG-CB 4.05Å; L292-Y339 HydrophobicContact CB-CD1 4.23Å; L292-Y339 HydrophobicContact CB-CE1 4.2Å; L292-Y339 HydrophobicContact CD1-CD1 3.78Å; L292-Y339 HydrophobicContact CD1-CD2 3.93Å; L292-Y339 HydrophobicContact CD1-CE1 3.79Å; L292-Y339 HydrophobicContact CD1-CE2 3.94Å; L292-Y339 HydrophobicContact CD1-CG 3.86Å; L292-H366 PolarHBondContact N-NE2 2.89Å
293	T	98.5	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135	170.4	-53.1	0	0	0	0	108.8	T295 A337 T338 W364 H366 C368 D369	T293-T295 HydrophobicContact CG2-CG2 3.79Å; T293-A337 CarbonylContact O-C 3.47Å; T293-A337 VanDerWaalsContact O-CA 3.22Å; T293-A337 WeakPolarHBondContact O-CA 3.49Å; T293-T338 PolarHBondContact N-O 2.98Å; T293-T338 PolarHBondContact O-N 3.31Å; T293-W364 HydrophobicContact CG2-CE3 4.36Å; T293-W364 HydrophobicContact CG2-CZ3 4.01Å; T293-H366 PolarHBondContact OG1-CD2 3.46Å; T293-H366 PolarHBondContact OG1-N 2.88Å; T293-C368 VanDerWaalsContact CG2-SG 3.58Å; T293-D369 WeakPolarHBondContact CG2-OD2 3.48Å
294	H	98.6	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.			trans	-75.1	-39.1	-178.6	-175.1	-73.6	0	0	0	112.2	L287 D296 L297 V332 D333 F334 N336 D369	L287-H294 HydrophobicContact CD1-CB 4.14Å; H294-D296 PolarHBondContact CE1-O 3.14Å; H294-D296 VanDerWaalsContact ND1-C 3.31Å; H294-D296 PolarHBondContact ND1-N 3.03Å; H294-D296 PolarHBondContact O-N 3.46Å; H294-L297 HydrophobicContact CB-CD1 4.47Å; H294-L297 HydrophobicContact CB-CD2 4.07Å; H294-L297 HydrophobicContact CB-CG 3.96Å; H294-L297 PolarHBondContact ND1-N 3.06Å; H294-V332 PolarHBondContact NE2-O 3.37Å; H294-V332 VanDerWaalsContact NE2-O 3.15Å; H294-D333 PolarHBondContact CE1-O 3.4Å; H294-D333 PolarHBondContact NE2-O 2.9Å; H294-F334 AromaticContact CD2-CE1 3.91Å; H294-N336 CarbonylContact O-C 3.53Å; H294-D369 PolarHBondContact N-OD2 3.2Å
295	T	98.1	Very high	98.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	14%	0.144	C	C	.	.			trans	67.2	-23.8	176.7	87.8	0	0	0	0	116.9	T293 N336 S349 W364 D369	T293-T295 HydrophobicContact CG2-CG2 3.79Å; T295-N336 PolarHBondContact OG1-O 3.36Å; T295-S349 WeakPolarHBondContact O-CA 3.38Å; T295-S349 WeakPolarHBondContact O-CB 3.44Å; T295-S349 PolarHBondContact O-N 3.47Å; T295-S349 VanDerWaalsContact O-N 3.09Å; T295-S349 PolarHBondContact O-OG 3.4Å; T295-W364 HydrophobicContact CG2-CH2 3.64Å; T295-W364 HydrophobicContact CG2-CZ2 4.49Å; T295-W364 HydrophobicContact CG2-CZ3 3.65Å; T295-D369 PolarHBondContact N-OD1 3.3Å
296	D	97.7	Very high	98.1	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	15%	0.15	C	C	.	.			trans	-123.9	46.8	177.2	-161.5	38.1	0	0	0	114.3	H294 K298 N301 N336 T350	H294-D296 PolarHBondContact CE1-O 3.14Å; H294-D296 VanDerWaalsContact ND1-C 3.31Å; H294-D296 PolarHBondContact ND1-N 3.03Å; H294-D296 PolarHBondContact O-N 3.46Å; D296-K298 PolarHBondContact O-N 3.21Å; D296-K298 IonicContact OD1-NZ 3.28Å; D296-K298 IonicContact OD2-NZ 3.01Å; D296-K298 PolarHBondContact OD2-NZ 3.13Å; D296-N301 PolarHBondContact O-ND2 3.07Å; D296-N336 HydrophobicContact CB-CB 4.31Å; D296-T350 WeakPolarHBondContact OD1-CB 3.45Å; D296-T350 PolarHBondContact OD1-N 2.77Å; D296-T350 PolarHBondContact OD1-OG1 2.92Å
297	L	98.7	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.			trans	-71.7	126.5	173.4	-68.2	174.7	0	0	0	110.7	V284 H294 I331 D369 I373 I376	V284-L297 HydrophobicContact CG1-CD1 4.25Å; V284-L297 HydrophobicContact CG2-CD1 3.76Å; V284-L297 HydrophobicContact CG2-CD2 4.28Å; H294-L297 HydrophobicContact CB-CD1 4.47Å; H294-L297 HydrophobicContact CB-CD2 4.07Å; H294-L297 HydrophobicContact CB-CG 3.96Å; H294-L297 PolarHBondContact ND1-N 3.06Å; L297-I331 HydrophobicContact CD2-CD1 4.26Å; L297-I331 HydrophobicContact CD2-CG2 3.94Å; L297-D369 HydrophobicContact CD1-CB 3.66Å; L297-I373 HydrophobicContact CD1-CD1 4.3Å; L297-I373 HydrophobicContact CD1-CG1 3.98Å; L297-I376 HydrophobicContact CB-CD1 4.05Å
298	K	98.5	Very high	98	Very high	32 Å²	32	36.4 Å²	36.4	14%	0.139	18%	0.178	C	C	.	.			trans	-160.5	161.6	178.3	61	-169.7	-176.6	-144.1	0	110.3	D296 E300 N301 I302 T350 Y353	D296-K298 PolarHBondContact O-N 3.21Å; D296-K298 IonicContact OD1-NZ 3.28Å; D296-K298 IonicContact OD2-NZ 3.01Å; D296-K298 PolarHBondContact OD2-NZ 3.13Å; K298-E300 VanDerWaalsContact CB-OE2 3.31Å; K298-E300 WeakPolarHBondContact CB-OE2 3.24Å; K298-E300 HydrophobicContact CD-CB 4.42Å; K298-E300 WeakPolarHBondContact CD-OE2 3.47Å; K298-E300 HydrophobicContact CG-CB 4.18Å; K298-E300 WeakPolarHBondContact CG-OE2 3.32Å; K298-E300 PolarHBondContact O-N 2.81Å; K298-E300 VanDerWaalsContact O-N 3.16Å; K298-N301 WeakPolarHBondContact CE-ND2 3.36Å; K298-N301 HydrophobicContact CG-CB 4.06Å; K298-N301 PolarHBondContact O-N 3.23Å; K298-I302 PolarHBondContact O-N 2.75Å; K298-T350 HydrophobicContact CD-CG2 4.37Å; K298-T350 WeakPolarHBondContact CD-OG1 3.18Å; K298-T350 PolarHBondContact NZ-OG1 2.96Å; K298-Y353 HydrophobicContact CB-CD2 3.56Å; K298-Y353 HydrophobicContact CB-CE2 3.45Å; K298-Y353 VanDerWaalsContact CB-CE2 3.45Å; K298-Y353 HydrophobicContact CB-CG 4.22Å
299	P	98.6	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-57.9	-26.9	-179	-27.2	38.8	0	0	0	114.5	T256 Y257 N301 I302 Y353 I376 E379 Y380	T256-P299 PolarHBondContact N-O 3.26Å; T256-P299 WeakPolarHBondContact OG1-CA 3.5Å; T256-P299 PolarHBondContact OG1-O 2.83Å; Y257-P299 PolarHBondContact N-O 3Å; P299-N301 VanDerWaalsContact C-N 3.3Å; P299-I302 PolarHBondContact O-N 3.39Å; P299-Y353 WeakPolarHBondContact CD-OH 3.25Å; P299-Y353 HydrophobicContact CG-CE1 4.2Å; P299-I376 HydrophobicContact CG-CG1 4.23Å; P299-I376 HydrophobicContact CG-CG2 4.43Å; P299-E379 HydrophobicContact CG-CG 4.43Å; P299-Y380 HydrophobicContact CB-CE1 4.11Å; P299-Y380 HydrophobicContact CG-CE1 4.31Å
300	E	97.6	Very high	97.8	Very high	64 Å²	64	35 Å²	35	30%	0.299	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-68.3	-28.5	174.1	-57.2	92.1	143	0	0	112.6	S255 Y257 K298 L303	S255-E300 WeakPolarHBondContact CB-O 3.19Å; Y257-E300 HydrophobicContact CD1-CG 4.05Å; Y257-E300 HydrophobicContact CG-CG 3.91Å; K298-E300 VanDerWaalsContact CB-OE2 3.31Å; K298-E300 WeakPolarHBondContact CB-OE2 3.24Å; K298-E300 HydrophobicContact CD-CB 4.42Å; K298-E300 WeakPolarHBondContact CD-OE2 3.47Å; K298-E300 HydrophobicContact CG-CB 4.18Å; K298-E300 WeakPolarHBondContact CG-OE2 3.32Å; K298-E300 PolarHBondContact O-N 2.81Å; K298-E300 VanDerWaalsContact O-N 3.16Å; E300-L303 WeakPolarHBondContact O-CD1 2.99Å
301	N	98.4	Very high	97.5	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.07	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-97.7	13.5	-179.5	-72	-4.6	0	0	0	112.7	D296 K298 P299 V332 D333	D296-N301 PolarHBondContact O-ND2 3.07Å; K298-N301 WeakPolarHBondContact CE-ND2 3.36Å; K298-N301 HydrophobicContact CG-CB 4.06Å; K298-N301 PolarHBondContact O-N 3.23Å; P299-N301 VanDerWaalsContact C-N 3.3Å; N301-V332 HydrophobicContact CB-CG2 4.26Å; N301-V332 PolarHBondContact O-N 3.4Å; N301-D333 PolarHBondContact ND2-OD2 2.84Å
302	I	98.8	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.5	171.6	-60.3	166.1	0	0	0	106.8	T256 I280 K298 P299 V329 K330 I376 Y380	T256-I302 HydrophobicContact CG2-CB 4.36Å; T256-I302 HydrophobicContact CG2-CG2 3.9Å; T256-I302 WeakPolarHBondContact CG2-O 3.26Å; T256-I302 PolarHBondContact N-O 2.92Å; T256-I302 PolarHBondContact OG1-O 3Å; I280-I302 HydrophobicContact CD1-CD1 3.75Å; I280-I302 HydrophobicContact CD1-CG2 4.26Å; I280-I302 HydrophobicContact CG1-CD1 4.15Å; I280-I302 HydrophobicContact CG1-CG2 4.34Å; K298-I302 PolarHBondContact O-N 2.75Å; P299-I302 PolarHBondContact O-N 3.39Å; I302-V329 HydrophobicContact CG2-CB 3.8Å; I302-V329 HydrophobicContact CG2-CG1 4Å; I302-V329 HydrophobicContact CG2-CG2 4.2Å; I302-K330 WeakPolarHBondContact CA-O 3.43Å; I302-I376 HydrophobicContact CD1-CD1 3.87Å; I302-I376 HydrophobicContact CD1-CG2 3.93Å; I302-Y380 WeakPolarHBondContact CD1-OH 3.22Å
303	L	98.7	Very high	96.8	Very high	35 Å²	35	45 Å²	45	18%	0.183	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.7	-178	-84.4	62.8	0	0	0	110.5	L252 E300 V329 K330 V332	L252-L303 HydrophobicContact CB-CB 4.11Å; L252-L303 HydrophobicContact CB-CD2 3.95Å; L252-L303 HydrophobicContact CD1-CB 3.89Å; L252-L303 HydrophobicContact CD1-CD2 4.13Å; E300-L303 WeakPolarHBondContact O-CD1 2.99Å; L303-V329 CarbonylContact O-C 3.51Å; L303-V329 WeakPolarHBondContact O-CA 3.35Å; L303-V329 WeakPolarHBondContact O-CB 3.49Å; L303-K330 PolarHBondContact N-O 2.73Å; L303-K330 PolarHBondContact O-N 3.42Å; L303-V332 HydrophobicContact CB-CG1 4.35Å; L303-V332 HydrophobicContact CD1-CB 4.47Å; L303-V332 HydrophobicContact CD1-CG1 3.97Å; L303-V332 HydrophobicContact CD1-CG2 3.57Å; L303-V332 HydrophobicContact CD2-CG1 4.18Å; L303-V332 HydrophobicContact CG-CG1 4.39Å
304	L	98.6	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.6	169.4	-66.2	161.8	0	0	0	109	G253 L254 T256 F259 M276 D306 L324 D328 V329	G253-L304 WeakPolarHBondContact CA-O 3.18Å; G253-L304 PolarHBondContact N-O 3.07Å; L254-L304 PolarHBondContact O-N 2.9Å; T256-L304 HydrophobicContact CG2-CD2 4.4Å; T256-L304 HydrophobicContact CG2-CG 4.29Å; F259-L304 HydrophobicContact CB-CD1 3.97Å; F259-L304 HydrophobicContact CD2-CD1 3.89Å; F259-L304 HydrophobicContact CG-CD1 4Å; M276-L304 HydrophobicContact SD-CD2 4.5Å; L304-D306 VanDerWaalsContact C-N 3.3Å; L304-L324 HydrophobicContact CD1-CD1 4.18Å; L304-L324 HydrophobicContact CD1-CD2 3.66Å; L304-L324 HydrophobicContact CD2-CD1 3.56Å; L304-L324 HydrophobicContact CD2-CD2 4.19Å; L304-D328 WeakPolarHBondContact CA-O 3.41Å; L304-V329 HydrophobicContact CD2-CG1 3.86Å
305	I	97.5	Very high	95.8	Very high	74 Å²	74	57 Å²	57	38%	0.379	27%	0.266	S	S	.	.	S	Bend	trans	-63.9	-44.5	170.5	-62.2	-172.9	0	0	0	109.4	L252 G253 D328 K330	L252-I305 HydrophobicContact CD2-CG1 4.48Å; G253-I305 PolarHBondContact N-O 3.42Å; I305-D328 HydrophobicContact CB-CB 4.24Å; I305-D328 HydrophobicContact CD1-CB 3.7Å; I305-D328 HydrophobicContact CG1-CB 3.98Å; I305-D328 PolarHBondContact N-O 3.19Å; I305-K330 HydrophobicContact CD1-CG 4.42Å; I305-K330 HydrophobicContact CG1-CG 4.22Å
306	D	96.2	Very high	95.1	Very high	74 Å²	74	65.7 Å²	65.7	40%	0.396	31%	0.306	S	S	.	.			trans	-136.3	133.2	173	-171.1	-19.7	0	0	0	108.4	L304 D308	L304-D306 VanDerWaalsContact C-N 3.3Å; D306-D308 WeakPolarHBondContact OD1-CB 3.34Å; D306-D308 PolarHBondContact OD1-N 3.13Å
307	S	96.8	Very high	94.4	Very high	29 Å²	29	69.9 Å²	69.9	20%	0.203	32%	0.324	C	S	.	.			trans	-99.3	10.3	-179.3	51	0	0	0	0	113.9	L254	L254-S307 PolarHBondContact N-OG 3.03Å
308	D	97.1	Very high	93.9	Very high	85 Å²	85	79.4 Å²	79.4	46%	0.455	36%	0.36	S	S	.	.			trans	-58.8	138.5	172.7	-88.2	5.6	0	0	0	112	D306 K325	D306-D308 WeakPolarHBondContact OD1-CB 3.34Å; D306-D308 PolarHBondContact OD1-N 3.13Å; D308-K325 HydrophobicContact CB-CD 4.12Å; D308-K325 PolarHBondContact O-N 3.34Å
309	Y	96.4	Very high	93.3	Very high	80 Å²	80	82 Å²	82	31%	0.314	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	152.6	-177	62.2	-94.4	0	0	0	112	F259 R322 T323	F259-Y309 AromaticContact CE2-CD1 3.9Å; F259-Y309 HydrophobicContact CE2-CD1 3.9Å; F259-Y309 HydrophobicContact CE2-CG 4.37Å; F259-Y309 HydrophobicContact CZ-CD1 4.4Å; F259-Y309 HydrophobicContact CZ-CG 4.47Å; Y309-R322 HydrophobicContact CD2-CB 3.99Å; Y309-R322 HydrophobicContact CD2-CG 3.73Å; Y309-R322 HydrophobicContact CE2-CG 3.85Å; Y309-R322 HydrophobicContact CG-CB 4.29Å; Y309-R322 HydrophobicContact CG-CG 4.38Å; Y309-T323 CarbonylContact C-O 3.25Å; Y309-T323 VanDerWaalsContact CA-O 3.29Å; Y309-T323 WeakPolarHBondContact CA-O 3.38Å; Y309-T323 WeakPolarHBondContact CB-O 3.35Å
310	D	94.6	Very high	92.9	Very high	76 Å²	76	86.1 Å²	86.1	41%	0.406	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.4	162.9	-64.8	-43	0	0	0	109.3	R322 T323 K325	D310-R322 WeakPolarHBondContact O-CA 3.46Å; D310-T323 PolarHBondContact N-O 3.09Å; D310-T323 PolarHBondContact O-N 3.25Å; D310-K325 WeakPolarHBondContact OD1-CE 3.23Å; D310-K325 IonicContact OD1-NZ 3.1Å
311	M	92.9	Very high	92.4	Very high	113 Å²	113	84 Å²	84	56%	0.557	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.2	179	178	159.7	35.1	0	0	108.9	D320	M311-D320 HydrophobicContact CG-CB 4.26Å; M311-D320 HydrophobicContact SD-CB 4.41Å
312	E	90.8	Very high	92.1	Very high	129 Å²	129	85.6 Å²	85.6	60%	0.603	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.8	-177.2	-64.1	-174.6	172.1	0	0	110.4	N314 E321	E312-N314 PolarHBondContact O-N 3.09Å; E312-E321 PolarHBondContact N-O 3.42Å; E312-E321 VanDerWaalsContact N-O 3.09Å; E312-E321 PolarHBondContact O-N 3.42Å
313	Y	90.4	Very high	91.8	Very high	126 Å²	126	87.7 Å²	87.7	49%	0.494	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.8	175.5	-175.1	-99.7	0	0	0	110.5	R315 R318 D320	Y313-R315 HydrophobicContact CD1-CG 4.03Å; Y313-R315 HydrophobicContact CE1-CG 4.24Å; Y313-R315 PolarHBondContact O-N 2.91Å; Y313-R318 VanDerWaalsContact OH-CA 3.29Å; Y313-R318 WeakPolarHBondContact OH-CA 3.41Å; Y313-R318 PolarHBondContact OH-O 2.82Å; Y313-D320 WeakPolarHBondContact CD2-OD1 3.33Å
314	N	86.4	Confident	91.7	Very high	34 Å²	34	86.2 Å²	86.2	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	105.9	173.3	-172.3	-41.3	0	0	0	109.7	E312 E316 K317 R318 R319 E321	E312-N314 PolarHBondContact O-N 3.09Å; N314-E316 VanDerWaalsContact C-N 3.32Å; N314-E316 PolarHBondContact O-N 2.74Å; N314-E316 WeakPolarHBondContact OD1-CB 3.49Å; N314-E316 PolarHBondContact OD1-N 3.42Å; N314-K317 HydrophobicContact CB-CB 4.2Å; N314-K317 PolarHBondContact O-N 3.23Å; N314-K317 PolarHBondContact OD1-N 3.37Å; N314-R318 VanDerWaalsContact O-CA 3.29Å; N314-R318 WeakPolarHBondContact O-CA 3.28Å; N314-R318 PolarHBondContact O-N 3.26Å; N314-R319 WeakPolarHBondContact CB-O 3.24Å; N314-R319 PolarHBondContact N-O 2.9Å; N314-R319 PolarHBondContact O-N 2.93Å; N314-E321 HydrophobicContact CB-CB 4.29Å; N314-E321 PolarHBondContact ND2-OE2 2.88Å
315	R	88.7	Confident	91.6	Very high	218 Å²	218	92 Å²	92	82%	0.823	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.6	179.8	-66.6	-175.6	179.7	-169.4	-0	113.4	Y313	Y313-R315 HydrophobicContact CD1-CG 4.03Å; Y313-R315 HydrophobicContact CE1-CG 4.24Å; Y313-R315 PolarHBondContact O-N 2.91Å
316	E	84.3	Confident	91.5	Very high	185 Å²	185	91.3 Å²	91.3	86%	0.864	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.8	-178.9	-60.1	-178	168.2	0	0	111.3	N314 R318	N314-E316 VanDerWaalsContact C-N 3.32Å; N314-E316 PolarHBondContact O-N 2.74Å; N314-E316 WeakPolarHBondContact OD1-CB 3.49Å; N314-E316 PolarHBondContact OD1-N 3.42Å; E316-R318 VanDerWaalsContact C-N 3.32Å
317	K	83.5	Confident	91.5	Very high	101 Å²	101	88.8 Å²	88.8	44%	0.439	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5	178.4	-59.6	178.7	-167.6	160.3	0	113.2	N314 R319 E321	N314-K317 HydrophobicContact CB-CB 4.2Å; N314-K317 PolarHBondContact O-N 3.23Å; N314-K317 PolarHBondContact OD1-N 3.37Å; K317-R319 VanDerWaalsContact C-N 3.29Å; K317-R319 HydrophobicContact CB-CG 3.95Å; K317-R319 PolarHBondContact O-N 2.85Å; K317-E321 VanDerWaalsContact NZ-CD 3.35Å; K317-E321 IonicContact NZ-OE1 2.68Å; K317-E321 PolarHBondContact NZ-OE1 2.92Å; K317-E321 IonicContact NZ-OE2 2.75Å; K317-E321 PolarHBondContact NZ-OE2 3.02Å; K317-E321 VanDerWaalsContact NZ-OE2 3.08Å
318	R	87.6	Confident	91.6	Very high	199 Å²	199	89.6 Å²	89.6	75%	0.751	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	42.4	-177.9	-58.5	177.4	65	111.5	0.5	113.6	Y313 N314 E316	Y313-R318 VanDerWaalsContact OH-CA 3.29Å; Y313-R318 WeakPolarHBondContact OH-CA 3.41Å; Y313-R318 PolarHBondContact OH-O 2.82Å; N314-R318 VanDerWaalsContact O-CA 3.29Å; N314-R318 WeakPolarHBondContact O-CA 3.28Å; N314-R318 PolarHBondContact O-N 3.26Å; E316-R318 VanDerWaalsContact C-N 3.32Å
319	R	86.6	Confident	91.7	Very high	86 Å²	86	85.6 Å²	85.6	33%	0.325	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.8	-177	72.2	-172.5	-164.7	-164.1	4	111.9	N314 K317	N314-R319 WeakPolarHBondContact CB-O 3.24Å; N314-R319 PolarHBondContact N-O 2.9Å; N314-R319 PolarHBondContact O-N 2.93Å; K317-R319 VanDerWaalsContact C-N 3.29Å; K317-R319 HydrophobicContact CB-CG 3.95Å; K317-R319 PolarHBondContact O-N 2.85Å
320	D	89.3	Confident	91.8	Very high	88 Å²	88	82.5 Å²	82.5	47%	0.471	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.8	168.6	-60.2	-44.3	0	0	0	110.4	Q266 M311 Y313	Q266-D320 PolarHBondContact NE2-O 3.47Å; Q266-D320 VanDerWaalsContact NE2-O 3.13Å; Q266-D320 PolarHBondContact OE1-O 3.16Å; M311-D320 HydrophobicContact CG-CB 4.26Å; M311-D320 HydrophobicContact SD-CB 4.41Å; Y313-D320 WeakPolarHBondContact CD2-OD1 3.33Å
321	E	87.8	Confident	92	Very high	18 Å²	18	79 Å²	79	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121	179.4	-171.3	160.7	-162.2	0	0	108.8	E312 N314 K317	E312-E321 PolarHBondContact N-O 3.42Å; E312-E321 VanDerWaalsContact N-O 3.09Å; E312-E321 PolarHBondContact O-N 3.42Å; N314-E321 HydrophobicContact CB-CB 4.29Å; N314-E321 PolarHBondContact ND2-OE2 2.88Å; K317-E321 VanDerWaalsContact NZ-CD 3.35Å; K317-E321 IonicContact NZ-OE1 2.68Å; K317-E321 PolarHBondContact NZ-OE1 2.92Å; K317-E321 IonicContact NZ-OE2 2.75Å; K317-E321 PolarHBondContact NZ-OE2 3.02Å; K317-E321 VanDerWaalsContact NZ-OE2 3.08Å
322	R	91.8	Very high	92.2	Very high	47 Å²	47	74.6 Å²	74.6	18%	0.177	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.9	170.5	-64	-174.2	-173.6	-178.6	4	109.4	F259 E262 N263 Y309 D310	F259-R322 HydrophobicContact CZ-CB 4.39Å; E262-R322 PolarHBondContact O-NH1 2.92Å; E262-R322 PolarHBondContact O-NH2 3.01Å; N263-R322 VanDerWaalsContact OD1-CD 3.27Å; N263-R322 WeakPolarHBondContact OD1-CD 3.27Å; N263-R322 VanDerWaalsContact OD1-CG 3.29Å; N263-R322 WeakPolarHBondContact OD1-CG 3.37Å; Y309-R322 HydrophobicContact CD2-CB 3.99Å; Y309-R322 HydrophobicContact CD2-CG 3.73Å; Y309-R322 HydrophobicContact CE2-CG 3.85Å; Y309-R322 HydrophobicContact CG-CB 4.29Å; Y309-R322 HydrophobicContact CG-CG 4.38Å; D310-R322 WeakPolarHBondContact O-CA 3.46Å
323	T	92.5	Very high	92.5	Very high	44 Å²	44	70 Å²	70	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.9	177.1	-60.7	0	0	0	0	107.9	Y309 D310 K325	Y309-T323 CarbonylContact C-O 3.25Å; Y309-T323 VanDerWaalsContact CA-O 3.29Å; Y309-T323 WeakPolarHBondContact CA-O 3.38Å; Y309-T323 WeakPolarHBondContact CB-O 3.35Å; D310-T323 PolarHBondContact N-O 3.09Å; D310-T323 PolarHBondContact O-N 3.25Å; T323-K325 PolarHBondContact O-N 2.65Å
324	L	96.3	Very high	92.8	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	132.5	172.7	-71	164	0	0	0	110.8	F259 F268 Q272 L304 N326 P327	F259-L324 HydrophobicContact CD2-CD2 3.82Å; F259-L324 HydrophobicContact CE1-CD2 4.22Å; F259-L324 HydrophobicContact CE1-CG 4.12Å; F259-L324 HydrophobicContact CE2-CD2 3.32Å; F259-L324 HydrophobicContact CE2-CG 4.08Å; F259-L324 HydrophobicContact CG-CD2 4.45Å; F259-L324 HydrophobicContact CZ-CD2 3.55Å; F259-L324 HydrophobicContact CZ-CG 3.76Å; F268-L324 HydrophobicContact CD1-CD1 4.11Å; F268-L324 HydrophobicContact CE1-CD1 3.66Å; F268-L324 HydrophobicContact CE1-CG 4.41Å; Q272-L324 PolarHBondContact NE2-O 3.2Å; L304-L324 HydrophobicContact CD1-CD1 4.18Å; L304-L324 HydrophobicContact CD1-CD2 3.66Å; L304-L324 HydrophobicContact CD2-CD1 3.56Å; L304-L324 HydrophobicContact CD2-CD2 4.19Å; L324-N326 VanDerWaalsContact C-N 3.34Å; L324-P327 HydrophobicContact CD1-CB 4.38Å
325	K	96.2	Very high	93.1	Very high	121 Å²	121	63.5 Å²	63.5	53%	0.526	29%	0.289	S	S	.	.	S	Bend	trans	-66.4	-41.1	172.9	-69.1	-176.4	-174.4	164.5	0	110.8	D308 D310 T323	D308-K325 HydrophobicContact CB-CD 4.12Å; D308-K325 PolarHBondContact O-N 3.34Å; D310-K325 WeakPolarHBondContact OD1-CE 3.23Å; D310-K325 IonicContact OD1-NZ 3.1Å; T323-K325 PolarHBondContact O-N 2.65Å
326	N	95.8	Very high	93.4	Very high	59 Å²	59	56.2 Å²	56.2	32%	0.316	27%	0.267	S	S	.	.			trans	-130.1	110.1	174.3	-171.4	1.3	0	0	0	111.2	L324 D328	L324-N326 VanDerWaalsContact C-N 3.34Å; N326-D328 PolarHBondContact ND2-OD2 3.4Å; N326-D328 PolarHBondContact O-N 2.79Å; N326-D328 VanDerWaalsContact O-N 3.17Å; N326-D328 WeakPolarHBondContact OD1-CB 3.44Å; N326-D328 PolarHBondContact OD1-N 3.46Å; N326-D328 VanDerWaalsContact OD1-N 3.12Å; N326-D328 PolarHBondContact OD1-OD1 3.37Å; N326-D328 PolarHBondContact OD1-OD2 3.47Å
327	P	96.9	Very high	94	Very high	21 Å²	21	47.8 Å²	47.8	14%	0.136	23%	0.228	C	C	.	.			trans	-84.9	34.6	176.1	36.2	-34.7	0	0	0	112.7	Q272 H275 M276 Q279 L324	Q272-P327 HydrophobicContact CB-CB 4.15Å; Q272-P327 HydrophobicContact CG-CB 4.21Å; Q272-P327 HydrophobicContact CG-CG 4.4Å; H275-P327 HydrophobicContact CB-CB 4.36Å; H275-P327 HydrophobicContact CB-CG 3.92Å; H275-P327 PolarHBondContact ND1-O 3.46Å; M276-P327 HydrophobicContact CG-CB 4.26Å; M276-P327 WeakPolarHBondContact CG-O 3.47Å; Q279-P327 PolarHBondContact NE2-O 3.36Å; L324-P327 HydrophobicContact CD1-CB 4.38Å
328	D	98.2	Very high	94.6	Very high	46 Å²	46	43.8 Å²	43.8	25%	0.246	21%	0.212	C	C	.	.			trans	-76.9	134.6	172.6	-75.4	-19.2	0	0	0	110.3	H275 Q279 L304 I305 N326	H275-D328 IonicContact CE1-OD1 3.65Å; H275-D328 PolarHBondContact CE1-OD1 3.04Å; H275-D328 IonicContact ND1-OD1 3.41Å; Q279-D328 PolarHBondContact OE1-OD1 3.39Å; L304-D328 WeakPolarHBondContact CA-O 3.41Å; I305-D328 HydrophobicContact CB-CB 4.24Å; I305-D328 HydrophobicContact CD1-CB 3.7Å; I305-D328 HydrophobicContact CG1-CB 3.98Å; I305-D328 PolarHBondContact N-O 3.19Å; N326-D328 PolarHBondContact ND2-OD2 3.4Å; N326-D328 PolarHBondContact O-N 2.79Å; N326-D328 VanDerWaalsContact O-N 3.17Å; N326-D328 WeakPolarHBondContact OD1-CB 3.44Å; N326-D328 PolarHBondContact OD1-N 3.46Å; N326-D328 VanDerWaalsContact OD1-N 3.12Å; N326-D328 PolarHBondContact OD1-OD1 3.37Å; N326-D328 PolarHBondContact OD1-OD2 3.47Å
329	V	98.6	Very high	95.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.3	-175.3	-67.2	0	0	0	0	112	S231 T256 M276 Q279 I280 I302 L303 L304	S231-V329 WeakPolarHBondContact CB-O 3.4Å; S231-V329 PolarHBondContact OG-O 3Å; S231-V329 VanDerWaalsContact OG-O 3.12Å; T256-V329 HydrophobicContact CG2-CG1 4.19Å; M276-V329 HydrophobicContact CB-CG1 4.42Å; M276-V329 HydrophobicContact CB-CG2 4.35Å; M276-V329 HydrophobicContact CG-CG1 3.78Å; M276-V329 HydrophobicContact CG-CG2 4.44Å; M276-V329 HydrophobicContact SD-CG1 3.88Å; Q279-V329 HydrophobicContact CB-CG2 3.89Å; I280-V329 HydrophobicContact CG1-CG2 4.09Å; I302-V329 HydrophobicContact CG2-CB 3.8Å; I302-V329 HydrophobicContact CG2-CG1 4Å; I302-V329 HydrophobicContact CG2-CG2 4.2Å; L303-V329 CarbonylContact O-C 3.51Å; L303-V329 WeakPolarHBondContact O-CA 3.35Å; L303-V329 WeakPolarHBondContact O-CB 3.49Å; L304-V329 HydrophobicContact CD2-CG1 3.86Å
330	K	98.6	Very high	95.5	Very high	16 Å²	16	34.9 Å²	34.9	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.6	167.9	-70.1	-163.8	170.9	-155.9	0	111.4	S231 C232 H234 E250 L252 I302 L303 I305	S231-K330 CarbonylContact O-C 3.58Å; S231-K330 WeakPolarHBondContact O-CA 3.3Å; C232-K330 PolarHBondContact O-NZ 3.5Å; H234-K330 PolarHBondContact ND1-NZ 3.47Å; E250-K330 WeakPolarHBondContact OE1-CD 3.49Å; E250-K330 IonicContact OE1-NZ 2.94Å; E250-K330 PolarHBondContact OE1-NZ 3.3Å; E250-K330 IonicContact OE2-NZ 3.06Å; E250-K330 PolarHBondContact OE2-NZ 3.15Å; L252-K330 HydrophobicContact CD1-CB 4.02Å; L252-K330 HydrophobicContact CD1-CD 4.44Å; L252-K330 HydrophobicContact CD2-CD 4.14Å; I302-K330 WeakPolarHBondContact CA-O 3.43Å; L303-K330 PolarHBondContact N-O 2.73Å; L303-K330 PolarHBondContact O-N 3.42Å; I305-K330 HydrophobicContact CD1-CG 4.42Å; I305-K330 HydrophobicContact CG1-CG 4.22Å
331	I	98.7	Very high	95.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.8	172.7	-59.1	179.9	0	0	0	108.5	S231 V233 I280 A283 V284 L297 F334	S231-I331 PolarHBondContact O-N 3.37Å; V233-I331 PolarHBondContact N-O 3.12Å; I280-I331 HydrophobicContact CG2-CD1 4.33Å; A283-I331 HydrophobicContact CB-CD1 3.68Å; A283-I331 HydrophobicContact CB-CG1 4.34Å; V284-I331 HydrophobicContact CG2-CD1 3.43Å; V284-I331 VanDerWaalsContact CG2-CD1 3.43Å; L297-I331 HydrophobicContact CD2-CD1 4.26Å; L297-I331 HydrophobicContact CD2-CG2 3.94Å; I331-F334 HydrophobicContact CG2-CZ 4.28Å
332	V	98.2	Very high	96	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	21%	0.207	C	C	.	.			trans	-124.6	175.5	180	-49.7	0	0	0	0	111	V233 L252 H294 N301 L303	V233-V332 HydrophobicContact CB-CG1 4Å; V233-V332 HydrophobicContact CG1-CB 4.19Å; V233-V332 HydrophobicContact CG1-CG1 4.14Å; V233-V332 HydrophobicContact CG2-CG1 4.43Å; L252-V332 HydrophobicContact CD1-CG1 4.08Å; H294-V332 PolarHBondContact NE2-O 3.37Å; H294-V332 VanDerWaalsContact NE2-O 3.15Å; N301-V332 HydrophobicContact CB-CG2 4.26Å; N301-V332 PolarHBondContact O-N 3.4Å; L303-V332 HydrophobicContact CB-CG1 4.35Å; L303-V332 HydrophobicContact CD1-CB 4.47Å; L303-V332 HydrophobicContact CD1-CG1 3.97Å; L303-V332 HydrophobicContact CD1-CG2 3.57Å; L303-V332 HydrophobicContact CD2-CG1 4.18Å; L303-V332 HydrophobicContact CG-CG1 4.39Å
333	D	95.9	Very high	95.9	Very high	33 Å²	33	45.7 Å²	45.7	18%	0.176	23%	0.233	C	C	.	.			trans	65.1	72.9	172.5	-164.2	26.4	0	0	0	114.3	K199 H294 N301 G335	K199-D333 IonicContact NZ-OD1 3.37Å; K199-D333 PolarHBondContact NZ-OD1 3.1Å; H294-D333 PolarHBondContact CE1-O 3.4Å; H294-D333 PolarHBondContact NE2-O 2.9Å; N301-D333 PolarHBondContact ND2-OD2 2.84Å; D333-G335 VanDerWaalsContact C-N 3.27Å; D333-G335 PolarHBondContact O-N 3.35Å
334	F	96.9	Very high	95.9	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-88.1	10	179.3	-67.2	-85.4	0	0	0	113.1	E214 V217 L218 L221 C232 V233 L287 H294 I331 N336 A337	E214-F334 HydrophobicContact CG-CB 4.29Å; E214-F334 PolarHBondContact OE1-N 3.36Å; V217-F334 HydrophobicContact CG1-CB 4.02Å; V217-F334 HydrophobicContact CG1-CD1 4.35Å; V217-F334 HydrophobicContact CG1-CG 4.4Å; L218-F334 HydrophobicContact CD2-CD2 3.64Å; L218-F334 HydrophobicContact CD2-CE2 4.2Å; L218-F334 HydrophobicContact CD2-CG 4.38Å; L221-F334 HydrophobicContact CD1-CD1 3.82Å; L221-F334 HydrophobicContact CD1-CE1 3.6Å; L221-F334 HydrophobicContact CD1-CE2 4.34Å; L221-F334 HydrophobicContact CD1-CG 4.3Å; L221-F334 HydrophobicContact CD1-CZ 3.88Å; C232-F334 HydrophobicContact CB-CE2 4.44Å; C232-F334 HydrophobicContact CB-CZ 3.96Å; V233-F334 HydrophobicContact CG1-CD2 4.38Å; V233-F334 HydrophobicContact CG1-CE2 3.99Å; L287-F334 HydrophobicContact CD1-CE1 3.81Å; L287-F334 HydrophobicContact CD2-CE1 3.81Å; L287-F334 HydrophobicContact CD2-CZ 4.46Å; L287-F334 HydrophobicContact CG-CE1 4.47Å; H294-F334 AromaticContact CD2-CE1 3.91Å; I331-F334 HydrophobicContact CG2-CZ 4.28Å; F334-N336 PolarHBondContact O-N 2.78Å; F334-A337 HydrophobicContact CB-CB 4.31Å; F334-A337 HydrophobicContact CD1-CB 4.36Å; F334-A337 VanDerWaalsContact O-CB 3.26Å; F334-A337 WeakPolarHBondContact O-CB 3.33Å; F334-A337 PolarHBondContact O-N 2.99Å
335	G	93.8	Very high	95.6	Very high	22 Å²	22	49.4 Å²	49.4	23%	0.227	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-67.3	-16.2	-176.2	0	0	0	0	0	115.1	D333	D333-G335 VanDerWaalsContact C-N 3.27Å; D333-G335 PolarHBondContact O-N 3.35Å
336	N	94.5	Very high	95.3	Very high	65 Å²	65	47.2 Å²	47.2	35%	0.348	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-109	7.3	172.4	-63	-61.9	0	0	0	112.8	H294 T295 D296 F334 T338	H294-N336 CarbonylContact O-C 3.53Å; T295-N336 PolarHBondContact OG1-O 3.36Å; D296-N336 HydrophobicContact CB-CB 4.31Å; F334-N336 PolarHBondContact O-N 2.78Å; N336-T338 PolarHBondContact O-OG1 3.39Å
337	A	96.6	Very high	95.1	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	26%	0.261	C	S	.	.			trans	-65.5	142.8	177.8	0	0	0	0	0	109.7	V217 L292 T293 F334	V217-A337 HydrophobicContact CG1-CB 4.35Å; L292-A337 HydrophobicContact CD1-CB 3.87Å; L292-A337 HydrophobicContact CD2-CB 4.12Å; L292-A337 HydrophobicContact CG-CB 4.05Å; T293-A337 CarbonylContact O-C 3.47Å; T293-A337 VanDerWaalsContact O-CA 3.22Å; T293-A337 WeakPolarHBondContact O-CA 3.49Å; F334-A337 HydrophobicContact CB-CB 4.31Å; F334-A337 HydrophobicContact CD1-CB 4.36Å; F334-A337 VanDerWaalsContact O-CB 3.26Å; F334-A337 WeakPolarHBondContact O-CB 3.33Å; F334-A337 PolarHBondContact O-N 2.99Å
338	T	96.9	Very high	95.1	Very high	17 Å²	17	48 Å²	48	10%	0.104	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.3	-174.8	-52.2	0	0	0	0	109.7	T293 N336 E342 W364	T293-T338 PolarHBondContact N-O 2.98Å; T293-T338 PolarHBondContact O-N 3.31Å; N336-T338 PolarHBondContact O-OG1 3.39Å; T338-E342 HydrophobicContact CG2-CB 3.93Å; T338-W364 HydrophobicContact CG2-CH2 4.14Å
339	Y	97	Very high	94.9	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.122	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.1	174	-70.5	-80.9	0	0	0	111.7	V217 H220 K291 L292 H341 E342 H344	V217-Y339 HydrophobicContact CG2-CE2 3.87Å; H220-Y339 AromaticContact ND1-CE1 3.94Å; H220-Y339 AromaticContact ND1-CZ 3.8Å; H220-Y339 PolarHBondContact ND1-OH 3.43Å; K291-Y339 CarbonylContact O-C 3.19Å; K291-Y339 WeakPolarHBondContact O-CA 3.42Å; L292-Y339 HydrophobicContact CB-CD1 4.23Å; L292-Y339 HydrophobicContact CB-CE1 4.2Å; L292-Y339 HydrophobicContact CD1-CD1 3.78Å; L292-Y339 HydrophobicContact CD1-CD2 3.93Å; L292-Y339 HydrophobicContact CD1-CE1 3.79Å; L292-Y339 HydrophobicContact CD1-CE2 3.94Å; L292-Y339 HydrophobicContact CD1-CG 3.86Å; Y339-H341 VanDerWaalsContact CB-CE1 3.41Å; Y339-H341 WeakPolarHBondContact CB-CE1 3.45Å; Y339-H341 WeakPolarHBondContact CB-ND1 3.23Å; Y339-H341 AromaticContact CG-CE1 3.8Å; Y339-H341 PolarHBondContact O-N 2.86Å; Y339-E342 PolarHBondContact N-OE2 3.29Å; Y339-E342 WeakPolarHBondContact O-CB 3.45Å; Y339-E342 PolarHBondContact O-N 3.09Å; Y339-H344 PolarHBondContact O-CE1 3.46Å
340	D	96	Very high	94.8	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.7	179.3	-77	-10.3	0	0	0	114.1	K291 H344 H366	K291-D340 HydrophobicContact CB-CB 4.24Å; K291-D340 WeakPolarHBondContact CD-OD2 3.21Å; K291-D340 PolarHBondContact O-N 3.09Å; D340-H344 PolarHBondContact O-CE1 3.18Å; D340-H366 IonicContact OD1-CE1 2.91Å; D340-H366 PolarHBondContact OD1-CE1 3.41Å; D340-H366 IonicContact OD1-ND1 3.8Å; D340-H366 IonicContact OD1-NE2 3.78Å; D340-H366 PolarHBondContact OD1-NE2 3.37Å; D340-H366 IonicContact OD2-CE1 3.11Å; D340-H366 PolarHBondContact OD2-CE1 3.23Å
341	H	93.1	Very high	94.7	Very high	156 Å²	156	48.5 Å²	48.5	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-8.4	-177.3	67.4	-82.6	0	0	0	113.9	Y339	Y339-H341 VanDerWaalsContact CB-CE1 3.41Å; Y339-H341 WeakPolarHBondContact CB-CE1 3.45Å; Y339-H341 WeakPolarHBondContact CB-ND1 3.23Å; Y339-H341 AromaticContact CG-CE1 3.8Å; Y339-H341 PolarHBondContact O-N 2.86Å
342	E	92.8	Very high	94.6	Very high	68 Å²	68	50.4 Å²	50.4	32%	0.318	27%	0.27	S	S	.	.	S	Bend	trans	-84.4	169.7	-179.2	-71.5	176.2	157	0	0	112.1	T338 Y339 H344	T338-E342 HydrophobicContact CG2-CB 3.93Å; Y339-E342 PolarHBondContact N-OE2 3.29Å; Y339-E342 WeakPolarHBondContact O-CB 3.45Å; Y339-E342 PolarHBondContact O-N 3.09Å; E342-H344 PolarHBondContact O-CE1 3.2Å; E342-H344 PolarHBondContact O-N 3.08Å; E342-H344 PolarHBondContact O-ND1 2.84Å
343	H	90.1	Very high	94.6	Very high	157 Å²	157	49.5 Å²	49.5	73%	0.727	27%	0.265	S	S	*	.			trans	-67.3	122.8	174.7	-179.8	67.5	0	0	0	111.1
344	H	91.9	Very high	94.8	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.269	26%	0.261	S	S	.	.			trans	-89.3	112	176.2	-69.3	55.1	0	0	0	110	Y339 D340 E342 W364	Y339-H344 PolarHBondContact O-CE1 3.46Å; D340-H344 PolarHBondContact O-CE1 3.18Å; E342-H344 PolarHBondContact O-CE1 3.2Å; E342-H344 PolarHBondContact O-N 3.08Å; E342-H344 PolarHBondContact O-ND1 2.84Å; H344-W364 HydrophobicContact CB-CH2 4.32Å; H344-W364 HydrophobicContact CB-CZ2 3.8Å; H344-W364 AromaticContact CD2-CE2 3.98Å; H344-W364 AromaticContact CD2-CE3 3.85Å; H344-W364 AromaticContact CD2-CH2 3.42Å; H344-W364 VanDerWaalsContact CD2-CH2 3.42Å; H344-W364 WeakPolarHBondContact CD2-CH2 3.36Å; H344-W364 AromaticContact CD2-CZ2 3.68Å; H344-W364 AromaticContact CD2-CZ3 3.5Å; H344-W364 AromaticContact CG-CZ2 4Å; H344-W364 AromaticContact NE2-CZ3 3.97Å
345	T	91	Very high	94.8	Very high	69 Å²	69	49.2 Å²	49.2	42%	0.423	26%	0.261	S	S	.	.			trans	-65.7	146.6	173.3	57.3	0	0	0	0	110.3	V347 V348 W364	T345-V347 VanDerWaalsContact C-N 3.31Å; T345-V347 PolarHBondContact O-N 3.45Å; T345-V348 VanDerWaalsContact OG1-CG1 3.25Å; T345-V348 WeakPolarHBondContact OG1-CG1 3.48Å; T345-W364 PolarHBondContact O-NE1 2.65Å
346	S	89.8	Confident	95.1	Very high	75 Å²	75	48.2 Å²	48.2	52%	0.524	25%	0.25	S	S	.	.	S	Bend	trans	-68.7	-30.5	-174.7	55.4	0	0	0	0	113.5
347	V	92.6	Very high	95.2	Very high	84 Å²	84	45.2 Å²	45.2	51%	0.509	23%	0.234	S	C	.	.			trans	-122	110.5	-177.4	-176.8	0	0	0	0	109.4	T345	T345-V347 VanDerWaalsContact C-N 3.31Å; T345-V347 PolarHBondContact O-N 3.45Å
348	V	95.3	Very high	95.3	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	23%	0.233	C	C	.	.			trans	-120.8	175.1	173.5	-64.3	0	0	0	0	111.2	T345 R354 V358 W364	T345-V348 VanDerWaalsContact OG1-CG1 3.25Å; T345-V348 WeakPolarHBondContact OG1-CG1 3.48Å; V348-R354 PolarHBondContact O-NE 3.03Å; V348-V358 HydrophobicContact CG2-CG1 4.04Å; V348-V358 HydrophobicContact CG2-CG2 4Å; V348-W364 HydrophobicContact CB-CZ2 4.44Å; V348-W364 HydrophobicContact CG1-CH2 4.18Å; V348-W364 HydrophobicContact CG1-CZ2 3.44Å; V348-W364 VanDerWaalsContact CG1-CZ2 3.44Å; V348-W364 HydrophobicContact CG2-CD2 3.95Å; V348-W364 HydrophobicContact CG2-CG 4.17Å; V348-W364 HydrophobicContact CG2-CZ2 4.2Å
349	S	94.8	Very high	95.4	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.084	23%	0.23	C	C	.	.	S	Bend	trans	65.8	145.8	-179	-40.4	0	0	0	0	115.1	T295 R351 R354	T295-S349 WeakPolarHBondContact O-CA 3.38Å; T295-S349 WeakPolarHBondContact O-CB 3.44Å; T295-S349 PolarHBondContact O-N 3.47Å; T295-S349 VanDerWaalsContact O-N 3.09Å; T295-S349 PolarHBondContact O-OG 3.4Å; S349-R351 PolarHBondContact O-N 2.94Å; S349-R354 PolarHBondContact O-NE 3.22Å; S349-R354 PolarHBondContact O-NH2 2.89Å
350	T	95.3	Very high	95.4	Very high	32 Å²	32	43.3 Å²	43.3	20%	0.196	23%	0.225	C	C	.	.			trans	-58.6	136	162.4	-62.7	0	0	0	0	109.9	D296 K298 H352 Y353 R354	D296-T350 WeakPolarHBondContact OD1-CB 3.45Å; D296-T350 PolarHBondContact OD1-N 2.77Å; D296-T350 PolarHBondContact OD1-OG1 2.92Å; K298-T350 HydrophobicContact CD-CG2 4.37Å; K298-T350 WeakPolarHBondContact CD-OG1 3.18Å; K298-T350 PolarHBondContact NZ-OG1 2.96Å; T350-H352 VanDerWaalsContact C-N 3.29Å; T350-H352 PolarHBondContact O-N 2.87Å; T350-Y353 HydrophobicContact CG2-CD2 4.2Å; T350-Y353 HydrophobicContact CG2-CE2 4.35Å; T350-Y353 PolarHBondContact O-N 2.71Å; T350-R354 PolarHBondContact O-N 2.87Å
351	R	96.5	Very high	95.4	Very high	30 Å²	30	42.5 Å²	42.5	11%	0.113	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-49	-43	-165.3	-176.9	179.6	-68.3	-117.9	12.9	114.4	S349 Y353 R354 T389 H390 D391 H395	S349-R351 PolarHBondContact O-N 2.94Å; R351-Y353 PolarHBondContact O-N 3.16Å; R351-R354 WeakPolarHBondContact O-CB 3.38Å; R351-R354 PolarHBondContact O-N 3.13Å; R351-T389 WeakPolarHBondContact CD-O 3.42Å; R351-H390 VanDerWaalsContact CZ-C 3.47Å; R351-H390 PolarHBondContact NH1-O 3.45Å; R351-H390 PolarHBondContact NH2-O 2.81Å; R351-D391 VanDerWaalsContact NH1-CA 3.29Å; R351-D391 VanDerWaalsContact NH1-N 3.2Å; R351-H395 PolarHBondContact O-CE1 2.79Å; R351-H395 PolarHBondContact O-ND1 3.3Å
352	H	97.9	Very high	95.6	Very high	42 Å²	42	37.7 Å²	37.7	19%	0.194	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-69.4	-19.7	-175	-49	132.7	0	0	0	114.4	T350 T385 F387	T350-H352 VanDerWaalsContact C-N 3.29Å; T350-H352 PolarHBondContact O-N 2.87Å; H352-T385 HydrophobicContact CB-CG2 3.48Å; H352-T385 VanDerWaalsContact CB-CG2 3.48Å; H352-F387 PolarHBondContact CD2-O 3.16Å
353	Y	98.6	Very high	95.8	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.012	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-110.6	5.9	-177.3	-49	-78.5	0	0	0	112	K298 P299 T350 R351 S372 C375 I376 E379	K298-Y353 HydrophobicContact CB-CD2 3.56Å; K298-Y353 HydrophobicContact CB-CE2 3.45Å; K298-Y353 VanDerWaalsContact CB-CE2 3.45Å; K298-Y353 HydrophobicContact CB-CG 4.22Å; P299-Y353 WeakPolarHBondContact CD-OH 3.25Å; P299-Y353 HydrophobicContact CG-CE1 4.2Å; T350-Y353 HydrophobicContact CG2-CD2 4.2Å; T350-Y353 HydrophobicContact CG2-CE2 4.35Å; T350-Y353 PolarHBondContact O-N 2.71Å; R351-Y353 PolarHBondContact O-N 3.16Å; Y353-S372 PolarHBondContact O-OG 3.48Å; Y353-C375 HydrophobicContact CD1-CB 3.71Å; Y353-C375 HydrophobicContact CE1-CB 4.4Å; Y353-I376 HydrophobicContact CD1-CG1 3.99Å; Y353-I376 HydrophobicContact CE1-CG1 4.08Å; Y353-E379 WeakPolarHBondContact CE1-OE2 3.35Å; Y353-E379 VanDerWaalsContact CZ-OE2 3.3Å; Y353-E379 PolarHBondContact OH-OE2 3.1Å
354	R	98.4	Very high	96.1	Very high	28 Å²	28	30.2 Å²	30.2	11%	0.106	18%	0.176	C	C	.	.			trans	-77.4	129	-173.8	-173.8	178.6	-66.8	160.9	2.3	111.1	V348 S349 T350 R351 V358 I359 W371 M399	V348-R354 PolarHBondContact O-NE 3.03Å; S349-R354 PolarHBondContact O-NE 3.22Å; S349-R354 PolarHBondContact O-NH2 2.89Å; T350-R354 PolarHBondContact O-N 2.87Å; R351-R354 WeakPolarHBondContact O-CB 3.38Å; R351-R354 PolarHBondContact O-N 3.13Å; R354-V358 HydrophobicContact CG-CB 3.75Å; R354-V358 HydrophobicContact CG-CG1 3.76Å; R354-V358 HydrophobicContact CG-CG2 4.47Å; R354-I359 HydrophobicContact CG-CG1 3.95Å; R354-W371 PolarHBondContact O-NE1 2.77Å; R354-M399 WeakPolarHBondContact O-CE 3.2Å
355	A	98.6	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.			trans	-70.1	151.9	-179.8	0	0	0	0	0	112.8	E357 V358 I359 C368 W371	A355-E357 VanDerWaalsContact C-N 3.31Å; A355-E357 VanDerWaalsContact CB-CD 3.47Å; A355-E357 HydrophobicContact CB-CG 4.45Å; A355-E357 WeakPolarHBondContact CB-OE1 3.48Å; A355-E357 VanDerWaalsContact CB-OE2 3.32Å; A355-E357 WeakPolarHBondContact CB-OE2 3.5Å; A355-E357 PolarHBondContact O-N 3.37Å; A355-V358 HydrophobicContact CB-CG2 4.3Å; A355-V358 WeakPolarHBondContact O-CB 3.41Å; A355-V358 PolarHBondContact O-N 3.23Å; A355-V358 VanDerWaalsContact O-N 3.11Å; A355-I359 PolarHBondContact O-N 3.14Å; A355-C368 HydrophobicContact CB-CB 4.09Å; A355-W371 HydrophobicContact CB-CB 3.77Å; A355-W371 HydrophobicContact CB-CD2 4.32Å; A355-W371 HydrophobicContact CB-CG 3.74Å
356	P	98.4	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-36	-177.5	23.3	-34.4	0	0	0	113	V358 I359 L360 W371 M399 Y468	P356-V358 VanDerWaalsContact C-N 3.25Å; P356-V358 PolarHBondContact O-N 2.85Å; P356-I359 PolarHBondContact O-N 2.95Å; P356-L360 VanDerWaalsContact O-CB 3.27Å; P356-L360 WeakPolarHBondContact O-CB 3.27Å; P356-L360 VanDerWaalsContact O-CG 3.29Å; P356-L360 WeakPolarHBondContact O-CG 3.45Å; P356-L360 PolarHBondContact O-N 3.12Å; P356-W371 HydrophobicContact CG-CE3 4.09Å; P356-W371 HydrophobicContact CG-CH2 4Å; P356-W371 HydrophobicContact CG-CZ3 3.78Å; P356-M399 HydrophobicContact CB-SD 3.95Å; P356-Y468 HydrophobicContact CB-CD1 3.96Å; P356-Y468 HydrophobicContact CB-CE1 4.48Å; P356-Y468 HydrophobicContact CG-CD1 3.83Å
357	E	98.4	Very high	97.1	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-29.7	177.4	66.3	-87.1	-157.3	0	0	113.2	A355 D361 L362 W364 S367 P470 R473	A355-E357 VanDerWaalsContact C-N 3.31Å; A355-E357 VanDerWaalsContact CB-CD 3.47Å; A355-E357 HydrophobicContact CB-CG 4.45Å; A355-E357 WeakPolarHBondContact CB-OE1 3.48Å; A355-E357 VanDerWaalsContact CB-OE2 3.32Å; A355-E357 WeakPolarHBondContact CB-OE2 3.5Å; A355-E357 PolarHBondContact O-N 3.37Å; E357-D361 PolarHBondContact O-N 3.37Å; E357-D361 VanDerWaalsContact O-N 3.15Å; E357-L362 HydrophobicContact CB-CB 4.2Å; E357-L362 PolarHBondContact O-N 3.16Å; E357-W364 HydrophobicContact CG-CB 4.27Å; E357-S367 PolarHBondContact OE1-OG 2.92Å; E357-P470 HydrophobicContact CB-CG 4.31Å; E357-P470 HydrophobicContact CG-CG 4.32Å; E357-R473 IonicContact OE1-CZ 3.27Å; E357-R473 IonicContact OE1-NH1 2.59Å; E357-R473 PolarHBondContact OE1-NH1 2.82Å; E357-R473 IonicContact OE1-NH2 2.77Å; E357-R473 PolarHBondContact OE1-NH2 2.8Å; E357-R473 IonicContact OE2-CZ 2.8Å; E357-R473 IonicContact OE2-NH1 3.66Å; E357-R473 PolarHBondContact OE2-NH1 2.9Å; E357-R473 IonicContact OE2-NH2 3.54Å; E357-R473 PolarHBondContact OE2-NH2 3.45Å
358	V	98.1	Very high	97.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-73.4	-45.4	174.4	-176.2	0	0	0	0	109.8	V348 R354 A355 P356 L360 D361 W364 C368	V348-V358 HydrophobicContact CG2-CG1 4.04Å; V348-V358 HydrophobicContact CG2-CG2 4Å; R354-V358 HydrophobicContact CG-CB 3.75Å; R354-V358 HydrophobicContact CG-CG1 3.76Å; R354-V358 HydrophobicContact CG-CG2 4.47Å; A355-V358 HydrophobicContact CB-CG2 4.3Å; A355-V358 WeakPolarHBondContact O-CB 3.41Å; A355-V358 PolarHBondContact O-N 3.23Å; A355-V358 VanDerWaalsContact O-N 3.11Å; P356-V358 VanDerWaalsContact C-N 3.25Å; P356-V358 PolarHBondContact O-N 2.85Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.17Å; V358-D361 PolarHBondContact O-N 2.87Å; V358-W364 HydrophobicContact CG2-CB 3.8Å; V358-W364 HydrophobicContact CG2-CG 4.04Å; V358-C368 HydrophobicContact CG2-CB 4.42Å
359	I	98.1	Very high	97.6	Very high	10 Å²	10	22 Å²	22	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-38.4	178.7	-58	172.8	0	0	0	111.2	R354 A355 P356 D361 H395 L396 M399	R354-I359 HydrophobicContact CG-CG1 3.95Å; A355-I359 PolarHBondContact O-N 3.14Å; P356-I359 PolarHBondContact O-N 2.95Å; I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.28Å; I359-H395 HydrophobicContact CD1-CB 4.23Å; I359-H395 VanDerWaalsContact CD1-ND1 3.34Å; I359-H395 WeakPolarHBondContact CD1-ND1 3.15Å; I359-L396 HydrophobicContact CB-CD2 4.31Å; I359-L396 HydrophobicContact CD1-CD2 4.44Å; I359-L396 HydrophobicContact CG2-CD1 3.97Å; I359-L396 HydrophobicContact CG2-CD2 4.08Å; I359-L396 HydrophobicContact CG2-CG 3.91Å; I359-M399 HydrophobicContact CD1-CE 3.56Å
360	L	97.4	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	0.3	179.3	-67.4	173.8	0	0	0	113.4	P356 V358 L362 L396 I406 L410 L411 T414	P356-L360 VanDerWaalsContact O-CB 3.27Å; P356-L360 WeakPolarHBondContact O-CB 3.27Å; P356-L360 VanDerWaalsContact O-CG 3.29Å; P356-L360 WeakPolarHBondContact O-CG 3.45Å; P356-L360 PolarHBondContact O-N 3.12Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.17Å; L360-L362 VanDerWaalsContact C-N 3.33Å; L360-L362 HydrophobicContact CB-CD1 3.91Å; L360-L362 HydrophobicContact CB-CD2 4.47Å; L360-L362 HydrophobicContact CB-CG 3.75Å; L360-L362 HydrophobicContact CD1-CD1 4.17Å; L360-L362 PolarHBondContact O-N 2.95Å; L360-L396 HydrophobicContact CD2-CD1 3.74Å; L360-L396 HydrophobicContact CD2-CD2 4.35Å; L360-L396 HydrophobicContact CG-CD1 4.44Å; L360-L396 HydrophobicContact CG-CD2 4.23Å; L360-I406 HydrophobicContact CD1-CG2 4.37Å; L360-L410 HydrophobicContact CD1-CB 4.37Å; L360-L411 HydrophobicContact CD1-CD2 4.45Å; L360-L411 HydrophobicContact CD2-CD2 4.22Å; L360-T414 HydrophobicContact CD2-CG2 4.22Å; L360-T414 VanDerWaalsContact O-CB 3.26Å; L360-T414 WeakPolarHBondContact O-CB 3.43Å; L360-T414 PolarHBondContact O-OG1 3.42Å
361	D	96.8	Very high	97.9	Very high	50 Å²	50	20.2 Å²	20.2	27%	0.267	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	48.1	178.6	-170.1	35.1	0	0	0	112.3	E357 V358 I359 K416	E357-D361 PolarHBondContact O-N 3.37Å; E357-D361 VanDerWaalsContact O-N 3.15Å; V358-D361 PolarHBondContact O-N 2.87Å; I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.28Å; D361-K416 HydrophobicContact CB-CG 4.24Å
362	L	96.8	Very high	98	Very high	55 Å²	55	18.8 Å²	18.8	29%	0.288	11%	0.105	S	C	.	.	S	Bend	trans	-98.5	1.8	-179	-60.2	-179.5	0	0	0	113.2	E357 L360 L410 K413	E357-L362 HydrophobicContact CB-CB 4.2Å; E357-L362 PolarHBondContact O-N 3.16Å; L360-L362 VanDerWaalsContact C-N 3.33Å; L360-L362 HydrophobicContact CB-CD1 3.91Å; L360-L362 HydrophobicContact CB-CD2 4.47Å; L360-L362 HydrophobicContact CB-CG 3.75Å; L360-L362 HydrophobicContact CD1-CD1 4.17Å; L360-L362 PolarHBondContact O-N 2.95Å; L362-L410 HydrophobicContact CD1-CB 4.04Å; L362-L410 HydrophobicContact CD1-CD2 3.93Å; L362-K413 HydrophobicContact CD2-CB 3.71Å
363	G	96.1	Very high	98.1	Very high	46 Å²	46	16.8 Å²	16.8	47%	0.474	10%	0.096	S	C	.	.			trans	80	155.5	-163.5	0	0	0	0	0	111.5
364	W	97.8	Very high	98.1	Very high	22 Å²	22	16.6 Å²	16.6	8%	0.083	10%	0.096	C	C	.	.			trans	-138.8	162.7	-180	57.1	-95.6	0	0	0	110.1	T293 T295 T338 H344 T345 V348 E357 V358 C368	T293-W364 HydrophobicContact CG2-CE3 4.36Å; T293-W364 HydrophobicContact CG2-CZ3 4.01Å; T295-W364 HydrophobicContact CG2-CH2 3.64Å; T295-W364 HydrophobicContact CG2-CZ2 4.49Å; T295-W364 HydrophobicContact CG2-CZ3 3.65Å; T338-W364 HydrophobicContact CG2-CH2 4.14Å; H344-W364 HydrophobicContact CB-CH2 4.32Å; H344-W364 HydrophobicContact CB-CZ2 3.8Å; H344-W364 AromaticContact CD2-CE2 3.98Å; H344-W364 AromaticContact CD2-CE3 3.85Å; H344-W364 AromaticContact CD2-CH2 3.42Å; H344-W364 VanDerWaalsContact CD2-CH2 3.42Å; H344-W364 WeakPolarHBondContact CD2-CH2 3.36Å; H344-W364 AromaticContact CD2-CZ2 3.68Å; H344-W364 AromaticContact CD2-CZ3 3.5Å; H344-W364 AromaticContact CG-CZ2 4Å; H344-W364 AromaticContact NE2-CZ3 3.97Å; T345-W364 PolarHBondContact O-NE1 2.65Å; V348-W364 HydrophobicContact CB-CZ2 4.44Å; V348-W364 HydrophobicContact CG1-CH2 4.18Å; V348-W364 HydrophobicContact CG1-CZ2 3.44Å; V348-W364 VanDerWaalsContact CG1-CZ2 3.44Å; V348-W364 HydrophobicContact CG2-CD2 3.95Å; V348-W364 HydrophobicContact CG2-CG 4.17Å; V348-W364 HydrophobicContact CG2-CZ2 4.2Å; E357-W364 HydrophobicContact CG-CB 4.27Å; V358-W364 HydrophobicContact CG2-CB 3.8Å; V358-W364 HydrophobicContact CG2-CG 4.04Å; W364-C368 HydrophobicContact CB-CB 4.41Å
365	N	96.9	Very high	98.1	Very high	80 Å²	80	15.4 Å²	15.4	43%	0.428	9%	0.091	S	C	.	.			trans	-149.1	-164.2	174.3	64.5	35.8	0	0	0	108.3	S367 C368	N365-S367 PolarHBondContact O-N 2.93Å; N365-S367 VanDerWaalsContact OD1-CB 3.3Å; N365-S367 WeakPolarHBondContact OD1-CB 3.42Å; N365-S367 PolarHBondContact OD1-N 3.17Å; N365-S367 PolarHBondContact OD1-OG 2.74Å; N365-C368 PolarHBondContact O-N 3.4Å; N365-C368 PolarHBondContact O-SG 2.91Å
366	H	98.1	Very high	98.1	Very high	34 Å²	34	15.4 Å²	15.4	16%	0.157	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.1	-31.8	172.8	-63.1	131	0	0	0	116.1	H288 L292 T293 D340 C368 D369	H288-H366 HydrophobicContact CB-CB 4.4Å; H288-H366 AromaticContact CD2-CD2 3.31Å; H288-H366 PolarHBondContact CD2-CD2 2.93Å; H288-H366 AromaticContact CD2-CG 3.8Å; H288-H366 PolarHBondContact CE1-O 3.08Å; H288-H366 AromaticContact CG-CD2 3.64Å; H288-H366 AromaticContact CG-CG 3.76Å; H288-H366 AromaticContact NE2-CD2 3.95Å; H288-H366 PolarHBondContact NE2-O 2.75Å; L292-H366 PolarHBondContact N-NE2 2.89Å; T293-H366 PolarHBondContact OG1-CD2 3.46Å; T293-H366 PolarHBondContact OG1-N 2.88Å; D340-H366 IonicContact OD1-CE1 2.91Å; D340-H366 PolarHBondContact OD1-CE1 3.41Å; D340-H366 IonicContact OD1-ND1 3.8Å; D340-H366 IonicContact OD1-NE2 3.78Å; D340-H366 PolarHBondContact OD1-NE2 3.37Å; D340-H366 IonicContact OD2-CE1 3.11Å; D340-H366 PolarHBondContact OD2-CE1 3.23Å; H366-C368 PolarHBondContact O-N 2.8Å; H366-D369 PolarHBondContact O-N 2.98Å
367	S	98.3	Very high	98.1	Very high	11 Å²	11	15.4 Å²	15.4	8%	0.077	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-24.1	179.3	67.4	0	0	0	0	113.9	E357 N365 D369 V370 W371 P470 R473	E357-S367 PolarHBondContact OE1-OG 2.92Å; N365-S367 PolarHBondContact O-N 2.93Å; N365-S367 VanDerWaalsContact OD1-CB 3.3Å; N365-S367 WeakPolarHBondContact OD1-CB 3.42Å; N365-S367 PolarHBondContact OD1-N 3.17Å; N365-S367 PolarHBondContact OD1-OG 2.74Å; S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 PolarHBondContact O-N 3.03Å; S367-V370 WeakPolarHBondContact O-CB 3.33Å; S367-V370 PolarHBondContact O-N 3.42Å; S367-W371 PolarHBondContact O-N 3.44Å; S367-P470 WeakPolarHBondContact OG-CB 3.47Å; S367-R473 WeakPolarHBondContact O-CD 3.09Å; S367-R473 PolarHBondContact O-NH1 2.84Å
368	C	98.6	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-37.1	179	69	0	0	0	0	111.3	T293 A355 V358 W364 N365 H366 V370 W371 S372	T293-C368 VanDerWaalsContact CG2-SG 3.58Å; A355-C368 HydrophobicContact CB-CB 4.09Å; V358-C368 HydrophobicContact CG2-CB 4.42Å; W364-C368 HydrophobicContact CB-CB 4.41Å; N365-C368 PolarHBondContact O-N 3.4Å; N365-C368 PolarHBondContact O-SG 2.91Å; H366-C368 PolarHBondContact O-N 2.8Å; C368-V370 VanDerWaalsContact C-N 3.28Å; C368-V370 PolarHBondContact O-N 3.44Å; C368-W371 WeakPolarHBondContact O-CB 3.25Å; C368-W371 PolarHBondContact O-N 2.94Å; C368-S372 PolarHBondContact O-N 2.87Å; C368-S372 VanDerWaalsContact O-N 3.07Å; C368-S372 PolarHBondContact O-OG 3.24Å
369	D	98.8	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.6	-36.1	175.7	-71.3	-18.2	0	0	0	111.4	V284 H288 T293 H294 T295 L297 H366 S367 W371 S372 I373	V284-D369 HydrophobicContact CG1-CB 3.87Å; H288-D369 IonicContact CD2-OD2 3.11Å; H288-D369 IonicContact CE1-OD2 3.61Å; H288-D369 IonicContact NE2-OD2 2.72Å; H288-D369 PolarHBondContact NE2-OD2 3.44Å; T293-D369 WeakPolarHBondContact CG2-OD2 3.48Å; H294-D369 PolarHBondContact N-OD2 3.2Å; T295-D369 PolarHBondContact N-OD1 3.3Å; L297-D369 HydrophobicContact CD1-CB 3.66Å; H366-D369 PolarHBondContact O-N 2.98Å; S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 PolarHBondContact O-N 3.03Å; D369-W371 VanDerWaalsContact C-N 3.31Å; D369-W371 PolarHBondContact O-N 3.34Å; D369-S372 PolarHBondContact O-N 3.49Å; D369-I373 VanDerWaalsContact O-CG1 3.27Å; D369-I373 WeakPolarHBondContact O-CG1 3.45Å; D369-I373 PolarHBondContact O-N 3.01Å
370	V	98.9	Very high	98.2	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.03	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-42.1	176.7	-175.3	0	0	0	0	111	S367 C368 I373 G374 M465 R473 L474 L476	S367-V370 WeakPolarHBondContact O-CB 3.33Å; S367-V370 PolarHBondContact O-N 3.42Å; C368-V370 VanDerWaalsContact C-N 3.28Å; C368-V370 PolarHBondContact O-N 3.44Å; V370-I373 PolarHBondContact O-N 3.02Å; V370-G374 PolarHBondContact O-N 2.76Å; V370-M465 HydrophobicContact CG1-CB 3.98Å; V370-M465 HydrophobicContact CG1-CG 3.84Å; V370-R473 HydrophobicContact CB-CG 4.4Å; V370-R473 HydrophobicContact CG1-CG 4.05Å; V370-L474 VanDerWaalsContact CG1-O 3.3Å; V370-L474 WeakPolarHBondContact CG1-O 3.4Å; V370-L476 HydrophobicContact CG1-CD2 4.43Å; V370-L476 HydrophobicContact CG2-CD2 3.91Å; V370-L476 HydrophobicContact CG2-CG 4.04Å
371	W	98.9	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-47	175.2	177.8	-80.5	0	0	0	111.1	R354 A355 P356 S367 C368 D369 I373 G374 C375 F387 M399 L403 M466 Y468	R354-W371 PolarHBondContact O-NE1 2.77Å; A355-W371 HydrophobicContact CB-CB 3.77Å; A355-W371 HydrophobicContact CB-CD2 4.32Å; A355-W371 HydrophobicContact CB-CG 3.74Å; P356-W371 HydrophobicContact CG-CE3 4.09Å; P356-W371 HydrophobicContact CG-CH2 4Å; P356-W371 HydrophobicContact CG-CZ3 3.78Å; S367-W371 PolarHBondContact O-N 3.44Å; C368-W371 WeakPolarHBondContact O-CB 3.25Å; C368-W371 PolarHBondContact O-N 2.94Å; D369-W371 VanDerWaalsContact C-N 3.31Å; D369-W371 PolarHBondContact O-N 3.34Å; W371-I373 VanDerWaalsContact C-N 3.29Å; W371-I373 PolarHBondContact O-N 2.7Å; W371-G374 WeakPolarHBondContact O-CA 3.44Å; W371-G374 PolarHBondContact O-N 3.41Å; W371-C375 PolarHBondContact NE1-SG 3.36Å; W371-C375 PolarHBondContact O-N 3Å; W371-F387 AromaticContact CZ2-CE2 3.91Å; W371-F387 HydrophobicContact CZ2-CE2 3.91Å; W371-F387 HydrophobicContact CZ2-CZ 4.38Å; W371-M399 HydrophobicContact CH2-CE 4.43Å; W371-M399 HydrophobicContact CH2-CG 4.36Å; W371-M399 HydrophobicContact CH2-SD 3.97Å; W371-M399 HydrophobicContact CZ2-CE 3.61Å; W371-M399 HydrophobicContact CZ2-CG 4.09Å; W371-M399 HydrophobicContact CZ2-SD 3.72Å; W371-L403 HydrophobicContact CH2-CD1 3.41Å; W371-L403 VanDerWaalsContact CH2-CD1 3.41Å; W371-L403 HydrophobicContact CZ2-CD1 4.24Å; W371-L403 HydrophobicContact CZ3-CD1 4.04Å; W371-M466 HydrophobicContact CE3-CB 4.21Å; W371-M466 HydrophobicContact CH2-CB 4.44Å; W371-M466 HydrophobicContact CH2-CE 4.24Å; W371-M466 HydrophobicContact CZ2-CE 3.88Å; W371-M466 HydrophobicContact CZ3-CB 4.03Å; W371-M466 WeakPolarHBondContact CZ3-O 3.44Å; W371-Y468 HydrophobicContact CH2-CD1 4.44Å; W371-Y468 HydrophobicContact CH2-CE1 4.35Å
372	S	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-41.2	177.6	-54.3	0	0	0	0	111.8	Y353 C368 D369 G374 C375 I376	Y353-S372 PolarHBondContact O-OG 3.48Å; C368-S372 PolarHBondContact O-N 2.87Å; C368-S372 VanDerWaalsContact O-N 3.07Å; C368-S372 PolarHBondContact O-OG 3.24Å; D369-S372 PolarHBondContact O-N 3.49Å; S372-G374 PolarHBondContact O-N 3.31Å; S372-C375 WeakPolarHBondContact O-CB 3.06Å; S372-C375 PolarHBondContact O-N 2.68Å; S372-I376 WeakPolarHBondContact O-CD1 3.47Å; S372-I376 VanDerWaalsContact O-CG1 3.23Å; S372-I376 WeakPolarHBondContact O-CG1 3.46Å; S372-I376 PolarHBondContact O-N 2.71Å
373	I	98.9	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.1	-45.3	173	-65.3	164.1	0	0	0	110.7	I280 I281 V284 L297 D369 V370 W371 C375 I376 L377 M465 L476	I280-I373 HydrophobicContact CG2-CD1 4.15Å; I280-I373 HydrophobicContact CG2-CG1 3.95Å; I280-I373 HydrophobicContact CG2-CG2 4.48Å; I281-I373 HydrophobicContact CG1-CG2 4.39Å; V284-I373 HydrophobicContact CB-CD1 4.17Å; V284-I373 HydrophobicContact CG1-CD1 4.28Å; V284-I373 HydrophobicContact CG2-CD1 4.07Å; L297-I373 HydrophobicContact CD1-CD1 4.3Å; L297-I373 HydrophobicContact CD1-CG1 3.98Å; D369-I373 VanDerWaalsContact O-CG1 3.27Å; D369-I373 WeakPolarHBondContact O-CG1 3.45Å; D369-I373 PolarHBondContact O-N 3.01Å; V370-I373 PolarHBondContact O-N 3.02Å; W371-I373 VanDerWaalsContact C-N 3.29Å; W371-I373 PolarHBondContact O-N 2.7Å; I373-C375 VanDerWaalsContact C-N 3.31Å; I373-C375 PolarHBondContact O-N 3.21Å; I373-I376 PolarHBondContact O-N 2.85Å; I373-I376 VanDerWaalsContact O-N 3.1Å; I373-L377 HydrophobicContact CG2-CD1 4.11Å; I373-L377 HydrophobicContact CG2-CG 4.07Å; I373-L377 VanDerWaalsContact O-CG 3.32Å; I373-L377 WeakPolarHBondContact O-CG 3.37Å; I373-L377 PolarHBondContact O-N 2.9Å; I373-M465 HydrophobicContact CB-SD 4.45Å; I373-M465 HydrophobicContact CG2-CE 3.98Å; I373-M465 HydrophobicContact CG2-SD 3.87Å; I373-L476 HydrophobicContact CD1-CD2 3.91Å
374	G	98.8	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.6	-45.5	175.4	0	0	0	0	0	112.8	V370 W371 S372 L377 I378	V370-G374 PolarHBondContact O-N 2.76Å; W371-G374 WeakPolarHBondContact O-CA 3.44Å; W371-G374 PolarHBondContact O-N 3.41Å; S372-G374 PolarHBondContact O-N 3.31Å; G374-L377 PolarHBondContact O-N 3.06Å; G374-I378 PolarHBondContact O-N 2.62Å
375	C	98.9	Very high	98.2	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-41.3	174.1	-69.3	0	0	0	0	113	Y353 W371 S372 I373 I378 E379	Y353-C375 HydrophobicContact CD1-CB 3.71Å; Y353-C375 HydrophobicContact CE1-CB 4.4Å; W371-C375 PolarHBondContact NE1-SG 3.36Å; W371-C375 PolarHBondContact O-N 3Å; S372-C375 WeakPolarHBondContact O-CB 3.06Å; S372-C375 PolarHBondContact O-N 2.68Å; I373-C375 VanDerWaalsContact C-N 3.31Å; I373-C375 PolarHBondContact O-N 3.21Å; C375-I378 WeakPolarHBondContact O-CG2 3.43Å; C375-E379 WeakPolarHBondContact O-CB 3.36Å; C375-E379 PolarHBondContact O-N 2.91Å; C375-E379 VanDerWaalsContact O-N 3.1Å
376	I	98.9	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.1	-44.2	177.9	-69.2	162	0	0	0	111	L297 P299 I302 Y353 S372 I373 I378 E379 Y380	L297-I376 HydrophobicContact CB-CD1 4.05Å; P299-I376 HydrophobicContact CG-CG1 4.23Å; P299-I376 HydrophobicContact CG-CG2 4.43Å; I302-I376 HydrophobicContact CD1-CD1 3.87Å; I302-I376 HydrophobicContact CD1-CG2 3.93Å; Y353-I376 HydrophobicContact CD1-CG1 3.99Å; Y353-I376 HydrophobicContact CE1-CG1 4.08Å; S372-I376 WeakPolarHBondContact O-CD1 3.47Å; S372-I376 VanDerWaalsContact O-CG1 3.23Å; S372-I376 WeakPolarHBondContact O-CG1 3.46Å; S372-I376 PolarHBondContact O-N 2.71Å; I373-I376 PolarHBondContact O-N 2.85Å; I373-I376 VanDerWaalsContact O-N 3.1Å; I376-I378 PolarHBondContact O-N 3.3Å; I376-E379 WeakPolarHBondContact O-CB 3.25Å; I376-E379 PolarHBondContact O-N 2.69Å; I376-E379 VanDerWaalsContact O-N 3.16Å; I376-Y380 HydrophobicContact CG2-CD1 4.32Å; I376-Y380 HydrophobicContact CG2-CD2 4.11Å; I376-Y380 HydrophobicContact CG2-CE1 3.82Å; I376-Y380 HydrophobicContact CG2-CE2 3.56Å; I376-Y380 HydrophobicContact CG2-CG 4.46Å; I376-Y380 PolarHBondContact O-N 3.47Å
377	L	98.9	Very high	98.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.7	-37.9	-177.5	-66.2	-172.1	0	0	0	112.6	I273 A277 I373 G374 Y380 Y381 L458 L461 I462 M465	I273-L377 HydrophobicContact CG2-CD2 4.27Å; A277-L377 HydrophobicContact CB-CD1 4Å; A277-L377 HydrophobicContact CB-CD2 3.53Å; A277-L377 HydrophobicContact CB-CG 4.43Å; I373-L377 HydrophobicContact CG2-CD1 4.11Å; I373-L377 HydrophobicContact CG2-CG 4.07Å; I373-L377 VanDerWaalsContact O-CG 3.32Å; I373-L377 WeakPolarHBondContact O-CG 3.37Å; I373-L377 PolarHBondContact O-N 2.9Å; G374-L377 PolarHBondContact O-N 3.06Å; L377-Y380 HydrophobicContact CD2-CD2 4.34Å; L377-Y381 WeakPolarHBondContact O-CB 3.41Å; L377-Y381 PolarHBondContact O-N 3.19Å; L377-L458 HydrophobicContact CB-CD1 4.5Å; L377-L458 HydrophobicContact CD1-CD1 4.41Å; L377-L461 HydrophobicContact CD1-CD2 4.39Å; L377-I462 HydrophobicContact CB-CD1 3.98Å; L377-I462 HydrophobicContact CB-CG1 3.97Å; L377-I462 HydrophobicContact CD1-CG1 4.45Å; L377-M465 HydrophobicContact CD1-SD 4.09Å
378	I	98.3	Very high	98	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.2	-33.9	173.8	-165.7	170.3	0	0	0	111.8	G374 C375 I376 Y381 L382 L386 L444 F459 I462	G374-I378 PolarHBondContact O-N 2.62Å; C375-I378 WeakPolarHBondContact O-CG2 3.43Å; I376-I378 PolarHBondContact O-N 3.3Å; I378-Y381 WeakPolarHBondContact O-CB 3.05Å; I378-Y381 PolarHBondContact O-N 3.47Å; I378-Y381 VanDerWaalsContact O-N 3.16Å; I378-L382 HydrophobicContact CD1-CD1 4.13Å; I378-L382 HydrophobicContact CG1-CD1 3.77Å; I378-L382 HydrophobicContact CG1-CG 4.06Å; I378-L382 WeakPolarHBondContact O-CB 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.16Å; I378-L386 HydrophobicContact CD1-CD1 3.97Å; I378-L386 HydrophobicContact CD1-CD2 4.02Å; I378-L386 HydrophobicContact CD1-CG 4.42Å; I378-L386 HydrophobicContact CG2-CB 3.79Å; I378-L386 HydrophobicContact CG2-CD2 3.94Å; I378-L386 HydrophobicContact CG2-CG 4.39Å; I378-L444 HydrophobicContact CD1-CD1 3.45Å; I378-L444 VanDerWaalsContact CD1-CD1 3.45Å; I378-F459 HydrophobicContact CD1-CE1 4.41Å; I378-I462 HydrophobicContact CB-CD1 4.19Å
379	E	98.6	Very high	97.9	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-40.6	174.6	177.4	158.8	-153.4	0	0	111.9	P299 Y353 C375 I376 Y381 L382 G383 T384 T385	P299-E379 HydrophobicContact CG-CG 4.43Å; Y353-E379 WeakPolarHBondContact CE1-OE2 3.35Å; Y353-E379 VanDerWaalsContact CZ-OE2 3.3Å; Y353-E379 PolarHBondContact OH-OE2 3.1Å; C375-E379 WeakPolarHBondContact O-CB 3.36Å; C375-E379 PolarHBondContact O-N 2.91Å; C375-E379 VanDerWaalsContact O-N 3.1Å; I376-E379 WeakPolarHBondContact O-CB 3.25Å; I376-E379 PolarHBondContact O-N 2.69Å; I376-E379 VanDerWaalsContact O-N 3.16Å; E379-Y381 PolarHBondContact O-N 2.92Å; E379-L382 PolarHBondContact O-N 2.6Å; E379-G383 VanDerWaalsContact O-CA 3.25Å; E379-G383 WeakPolarHBondContact O-CA 3.38Å; E379-G383 PolarHBondContact O-N 3.27Å; E379-T384 WeakPolarHBondContact CA-O 3.5Å; E379-T385 PolarHBondContact OE1-N 3.35Å; E379-T385 PolarHBondContact OE1-OG1 2.88Å
380	Y	98.7	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-33.6	171.3	-69.4	-10.9	0	0	0	112.7	T256 L260 P267 F268 M276 I280 P299 I302 I376 L377	T256-Y380 WeakPolarHBondContact CB-OH 3.44Å; T256-Y380 HydrophobicContact CG2-CE1 4.39Å; T256-Y380 WeakPolarHBondContact CG2-OH 3.48Å; T256-Y380 WeakPolarHBondContact OG1-CE1 3.46Å; T256-Y380 PolarHBondContact OG1-OH 3.46Å; L260-Y380 HydrophobicContact CD1-CD1 4.17Å; P267-Y380 WeakPolarHBondContact CA-O 3.33Å; P267-Y380 WeakPolarHBondContact CB-O 3.36Å; F268-Y380 AromaticContact CD2-CD1 3.94Å; F268-Y380 HydrophobicContact CD2-CD1 3.94Å; F268-Y380 AromaticContact CD2-CG 3.91Å; F268-Y380 HydrophobicContact CD2-CG 3.91Å; F268-Y380 AromaticContact CE2-CD1 3.79Å; F268-Y380 HydrophobicContact CE2-CD1 3.79Å; F268-Y380 HydrophobicContact CE2-CE1 4.16Å; F268-Y380 HydrophobicContact CE2-CG 4.19Å; F268-Y380 PolarHBondContact N-O 2.99Å; M276-Y380 HydrophobicContact CB-CE2 4.42Å; M276-Y380 HydrophobicContact CE-CD2 4.07Å; M276-Y380 HydrophobicContact CE-CE2 4.25Å; M276-Y380 HydrophobicContact SD-CE2 4.39Å; I280-Y380 HydrophobicContact CD1-CE2 4.1Å; P299-Y380 HydrophobicContact CB-CE1 4.11Å; P299-Y380 HydrophobicContact CG-CE1 4.31Å; I302-Y380 WeakPolarHBondContact CD1-OH 3.22Å; I376-Y380 HydrophobicContact CG2-CD1 4.32Å; I376-Y380 HydrophobicContact CG2-CD2 4.11Å; I376-Y380 HydrophobicContact CG2-CE1 3.82Å; I376-Y380 HydrophobicContact CG2-CE2 3.56Å; I376-Y380 HydrophobicContact CG2-CG 4.46Å; I376-Y380 PolarHBondContact O-N 3.47Å; L377-Y380 HydrophobicContact CD2-CD2 4.34Å
381	Y	98.2	Very high	97.5	Very high	12 Å²	12	25 Å²	25	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-79.4	-33.1	-179.1	-175.8	-92.2	0	0	0	113.8	P267 I273 L377 I378 E379 Y447 V449 H455 L458 F459	P267-Y381 VanDerWaalsContact CB-C 3.5Å; P267-Y381 WeakPolarHBondContact CB-O 3.26Å; I273-Y381 HydrophobicContact CD1-CD2 4.03Å; I273-Y381 HydrophobicContact CD1-CG 4.44Å; L377-Y381 WeakPolarHBondContact O-CB 3.41Å; L377-Y381 PolarHBondContact O-N 3.19Å; I378-Y381 WeakPolarHBondContact O-CB 3.05Å; I378-Y381 PolarHBondContact O-N 3.47Å; I378-Y381 VanDerWaalsContact O-N 3.16Å; E379-Y381 PolarHBondContact O-N 2.92Å; Y381-Y447 WeakPolarHBondContact CE1-O 3.4Å; Y381-V449 HydrophobicContact CE1-CG2 4.25Å; Y381-V449 WeakPolarHBondContact OH-CG2 3.47Å; Y381-V449 PolarHBondContact OH-N 3.12Å; Y381-H455 AromaticContact CE2-CE1 3.67Å; Y381-H455 AromaticContact CE2-ND1 3.21Å; Y381-H455 WeakPolarHBondContact CE2-ND1 3.21Å; Y381-H455 AromaticContact CZ-ND1 3.41Å; Y381-H455 PolarHBondContact OH-ND1 3.1Å; Y381-L458 HydrophobicContact CD2-CD2 3.6Å; Y381-L458 HydrophobicContact CE2-CD2 4.2Å; Y381-L458 HydrophobicContact CG-CD2 4.25Å; Y381-F459 AromaticContact CD1-CE2 3.65Å; Y381-F459 HydrophobicContact CD1-CE2 3.65Å; Y381-F459 AromaticContact CD1-CZ 3.75Å; Y381-F459 HydrophobicContact CD1-CZ 3.75Å; Y381-F459 HydrophobicContact CD2-CE2 4.28Å; Y381-F459 AromaticContact CE1-CE2 3.41Å; Y381-F459 HydrophobicContact CE1-CE2 3.41Å; Y381-F459 VanDerWaalsContact CE1-CE2 3.41Å; Y381-F459 AromaticContact CE1-CZ 3.62Å; Y381-F459 HydrophobicContact CE1-CZ 3.62Å; Y381-F459 HydrophobicContact CE2-CE2 4.05Å; Y381-F459 HydrophobicContact CG-CE2 4.06Å; Y381-F459 AromaticContact CZ-CE2 3.59Å
382	L	96.9	Very high	97.4	Very high	41 Å²	41	26.2 Å²	26.2	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-95.7	-24.8	-179.2	-65	-178.7	0	0	0	113.2	I378 E379 Y447	I378-L382 HydrophobicContact CD1-CD1 4.13Å; I378-L382 HydrophobicContact CG1-CD1 3.77Å; I378-L382 HydrophobicContact CG1-CG 4.06Å; I378-L382 WeakPolarHBondContact O-CB 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.16Å; E379-L382 PolarHBondContact O-N 2.6Å; L382-Y447 HydrophobicContact CD1-CD1 3.73Å; L382-Y447 HydrophobicContact CD1-CE1 4.17Å; L382-Y447 HydrophobicContact CD1-CG 4.21Å; L382-Y447 HydrophobicContact CD2-CD1 4.05Å
383	G	96.9	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	80.1	-3.4	-168.5	0	0	0	0	0	113.5	F265 E379	F265-G383 WeakPolarHBondContact CB-O 3.43Å; F265-G383 WeakPolarHBondContact CD1-O 3.43Å; F265-G383 WeakPolarHBondContact O-CA 3.44Å; E379-G383 VanDerWaalsContact O-CA 3.25Å; E379-G383 WeakPolarHBondContact O-CA 3.38Å; E379-G383 PolarHBondContact O-N 3.27Å
384	T	95.7	Very high	97.2	Very high	78 Å²	78	29.7 Å²	29.7	48%	0.479	15%	0.152	S	C	.	.	S	Bend	trans	-137.2	151.8	-179	62.6	0	0	0	0	111.6	E379	E379-T384 WeakPolarHBondContact CA-O 3.5Å
385	T	97.3	Very high	97.2	Very high	33 Å²	33	29.8 Å²	29.8	20%	0.202	15%	0.152	C	C	.	.			trans	-61.4	133.5	178.5	-43.2	0	0	0	0	111.9	H352 E379	H352-T385 HydrophobicContact CB-CG2 3.48Å; H352-T385 VanDerWaalsContact CB-CG2 3.48Å; E379-T385 PolarHBondContact OE1-N 3.35Å; E379-T385 PolarHBondContact OE1-OG1 2.88Å
386	L	97.1	Very high	97.2	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.068	15%	0.152	C	C	.	.	S	Bend	trans	-66.7	-44.4	-179.4	177.5	61.6	0	0	0	112.9	I378 V402 Y447 M466	I378-L386 HydrophobicContact CD1-CD1 3.97Å; I378-L386 HydrophobicContact CD1-CD2 4.02Å; I378-L386 HydrophobicContact CD1-CG 4.42Å; I378-L386 HydrophobicContact CG2-CB 3.79Å; I378-L386 HydrophobicContact CG2-CD2 3.94Å; I378-L386 HydrophobicContact CG2-CG 4.39Å; L386-V402 HydrophobicContact CD1-CG1 4.32Å; L386-V402 HydrophobicContact CD1-CG2 4.2Å; L386-V402 HydrophobicContact CD2-CG1 4.2Å; L386-Y447 HydrophobicContact CD1-CE2 4.13Å; L386-M466 HydrophobicContact CD2-CE 3.76Å; L386-M466 HydrophobicContact CD2-SD 4.27Å
387	F	97.7	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.			trans	-111.3	73.3	-175.6	-57.5	-54.9	0	0	0	111.6	H352 W371 T389 H395 M398 M399 V402 M466	H352-F387 PolarHBondContact CD2-O 3.16Å; W371-F387 AromaticContact CZ2-CE2 3.91Å; W371-F387 HydrophobicContact CZ2-CE2 3.91Å; W371-F387 HydrophobicContact CZ2-CZ 4.38Å; F387-T389 PolarHBondContact O-N 3.12Å; F387-T389 VanDerWaalsContact O-N 3.12Å; F387-H395 WeakPolarHBondContact CB-NE2 3.36Å; F387-H395 AromaticContact CD2-NE2 3.33Å; F387-H395 VanDerWaalsContact CD2-NE2 3.33Å; F387-H395 WeakPolarHBondContact CD2-NE2 3.42Å; F387-H395 AromaticContact CG-CD2 3.68Å; F387-H395 AromaticContact CG-NE2 3.35Å; F387-H395 WeakPolarHBondContact CG-NE2 3.46Å; F387-M398 HydrophobicContact CD1-CB 3.77Å; F387-M398 HydrophobicContact CE1-CB 4.22Å; F387-M399 HydrophobicContact CE1-CB 4.48Å; F387-M399 HydrophobicContact CE1-CG 4Å; F387-M399 HydrophobicContact CE2-CG 4.17Å; F387-M399 HydrophobicContact CZ-CB 4.42Å; F387-M399 HydrophobicContact CZ-CG 3.77Å; F387-V402 HydrophobicContact CE1-CB 4.27Å; F387-V402 HydrophobicContact CE1-CG2 4.04Å; F387-M466 HydrophobicContact CE2-CE 3.45Å; F387-M466 VanDerWaalsContact CE2-CE 3.45Å; F387-M466 HydrophobicContact CZ-CE 3.7Å
388	Q	95.2	Very high	97.1	Very high	119 Å²	119	30 Å²	30	56%	0.556	15%	0.154	S	C	*	.			trans	-78	91.6	177.1	-169.7	175.2	38.4	0	0	111.4
389	T	95.2	Very high	97.2	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.154	C	C	.	.			trans	-154.7	155.9	-179.8	-174.7	0	0	0	0	112.8	R351 F387 D391 E394 H395 M398	R351-T389 WeakPolarHBondContact CD-O 3.42Å; F387-T389 PolarHBondContact O-N 3.12Å; F387-T389 VanDerWaalsContact O-N 3.12Å; T389-D391 PolarHBondContact OG1-N 3.5Å; T389-E394 VanDerWaalsContact CB-OE1 3.26Å; T389-E394 WeakPolarHBondContact CB-OE1 3.4Å; T389-E394 VanDerWaalsContact OG1-CD 3.25Å; T389-E394 PolarHBondContact OG1-OE1 2.92Å; T389-H395 HydrophobicContact CG2-CB 3.56Å; T389-M398 HydrophobicContact CG2-SD 3.9Å
390	H	93.1	Very high	97.1	Very high	147 Å²	147	32.6 Å²	32.6	68%	0.681	17%	0.166	S	C	*	.	S	Bend	trans	-117.3	14.9	173.3	-57.6	-70.1	0	0	0	112.9	R351	R351-H390 VanDerWaalsContact CZ-C 3.47Å; R351-H390 PolarHBondContact NH1-O 3.45Å; R351-H390 PolarHBondContact NH2-O 2.81Å
391	D	96.1	Very high	97.1	Very high	73 Å²	73	37.6 Å²	37.6	39%	0.39	19%	0.185	S	C	.	.			trans	-125.9	142.5	174	177.6	-106.1	0	0	0	112.1	R351 T389 K393 E394 H395	R351-D391 VanDerWaalsContact NH1-CA 3.29Å; R351-D391 VanDerWaalsContact NH1-N 3.2Å; T389-D391 PolarHBondContact OG1-N 3.5Å; D391-K393 WeakPolarHBondContact OD1-CA 3.31Å; D391-K393 WeakPolarHBondContact OD1-CB 3.16Å; D391-K393 PolarHBondContact OD1-N 3.43Å; D391-E394 HydrophobicContact CB-CB 3.92Å; D391-E394 PolarHBondContact OD1-N 2.82Å; D391-H395 WeakPolarHBondContact O-CB 3.21Å; D391-H395 PolarHBondContact O-N 3.08Å
392	S	96.8	Very high	97.1	Very high	25 Å²	25	37.3 Å²	37.3	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-73.6	-36.8	-176.5	-68.2	0	0	0	0	112.8	H395 L396 Y419	S392-H395 PolarHBondContact O-N 3.05Å; S392-L396 WeakPolarHBondContact O-CG 3.44Å; S392-L396 PolarHBondContact O-N 3.36Å; S392-Y419 WeakPolarHBondContact CB-OH 3.36Å
393	K	96.8	Very high	97.2	Very high	41 Å²	41	37.5 Å²	37.5	18%	0.178	19%	0.185	C	C	.	.	H	α-helix	trans	-74.5	-39.7	180	-172.6	-174.2	-97.2	-158.5	0	110.2	D391 H395 L396 A397 R418 Y419 D426 W427	D391-K393 WeakPolarHBondContact OD1-CA 3.31Å; D391-K393 WeakPolarHBondContact OD1-CB 3.16Å; D391-K393 PolarHBondContact OD1-N 3.43Å; K393-H395 VanDerWaalsContact C-N 3.33Å; K393-L396 PolarHBondContact O-N 2.94Å; K393-A397 PolarHBondContact O-N 2.84Å; K393-R418 WeakPolarHBondContact CE-O 3.33Å; K393-R418 PolarHBondContact NZ-O 2.84Å; K393-Y419 HydrophobicContact CB-CD1 4.03Å; K393-Y419 HydrophobicContact CB-CE1 4.04Å; K393-Y419 HydrophobicContact CG-CD1 4.22Å; K393-D426 VanDerWaalsContact CD-O 3.24Å; K393-D426 WeakPolarHBondContact CD-O 3.42Å; K393-D426 VanDerWaalsContact CE-O 3.24Å; K393-D426 WeakPolarHBondContact CE-O 3.19Å; K393-D426 PolarHBondContact NZ-O 2.94Å; K393-D426 IonicContact NZ-OD2 3.61Å; K393-D426 PolarHBondContact NZ-OD2 3.04Å; K393-W427 HydrophobicContact CD-CE3 4.07Å; K393-W427 HydrophobicContact CD-CZ3 4.48Å; K393-W427 HydrophobicContact CG-CE3 3.89Å; K393-W427 HydrophobicContact CG-CZ3 4.25Å
394	E	97.9	Very high	97.2	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-43.1	170.5	-172	177.9	108.7	0	0	111.5	T389 D391 L396 A397 M398 W427 V437	T389-E394 VanDerWaalsContact CB-OE1 3.26Å; T389-E394 WeakPolarHBondContact CB-OE1 3.4Å; T389-E394 VanDerWaalsContact OG1-CD 3.25Å; T389-E394 PolarHBondContact OG1-OE1 2.92Å; D391-E394 HydrophobicContact CB-CB 3.92Å; D391-E394 PolarHBondContact OD1-N 2.82Å; E394-L396 PolarHBondContact O-N 3.22Å; E394-A397 CarbonylContact O-C 3.56Å; E394-A397 WeakPolarHBondContact O-CB 3.41Å; E394-A397 PolarHBondContact O-N 2.77Å; E394-A397 VanDerWaalsContact O-N 3.08Å; E394-M398 WeakPolarHBondContact O-CG 3.48Å; E394-M398 PolarHBondContact O-N 2.88Å; E394-W427 HydrophobicContact CB-CH2 3.68Å; E394-W427 HydrophobicContact CB-CZ3 4.06Å; E394-W427 HydrophobicContact CG-CH2 3.77Å; E394-W427 HydrophobicContact CG-CZ2 4.3Å; E394-V437 HydrophobicContact CG-CG2 3.81Å
395	H	98.4	Very high	97.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-47.7	176.4	-162.2	178.6	0	0	0	112.1	R351 I359 F387 T389 D391 S392 K393 A397 M398 M399	R351-H395 PolarHBondContact O-CE1 2.79Å; R351-H395 PolarHBondContact O-ND1 3.3Å; I359-H395 HydrophobicContact CD1-CB 4.23Å; I359-H395 VanDerWaalsContact CD1-ND1 3.34Å; I359-H395 WeakPolarHBondContact CD1-ND1 3.15Å; F387-H395 WeakPolarHBondContact CB-NE2 3.36Å; F387-H395 AromaticContact CD2-NE2 3.33Å; F387-H395 VanDerWaalsContact CD2-NE2 3.33Å; F387-H395 WeakPolarHBondContact CD2-NE2 3.42Å; F387-H395 AromaticContact CG-CD2 3.68Å; F387-H395 AromaticContact CG-NE2 3.35Å; F387-H395 WeakPolarHBondContact CG-NE2 3.46Å; T389-H395 HydrophobicContact CG2-CB 3.56Å; D391-H395 WeakPolarHBondContact O-CB 3.21Å; D391-H395 PolarHBondContact O-N 3.08Å; S392-H395 PolarHBondContact O-N 3.05Å; K393-H395 VanDerWaalsContact C-N 3.33Å; H395-A397 VanDerWaalsContact C-N 3.29Å; H395-A397 PolarHBondContact O-N 3.31Å; H395-M398 WeakPolarHBondContact O-CB 3.38Å; H395-M398 PolarHBondContact O-N 3.35Å; H395-M399 VanDerWaalsContact NE2-CE 3.28Å; H395-M399 WeakPolarHBondContact NE2-CE 3.36Å; H395-M399 WeakPolarHBondContact O-CG 3.35Å; H395-M399 PolarHBondContact O-N 3.04Å
396	L	98.4	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-37.5	174.8	-67.1	171.7	0	0	0	112.2	I359 L360 S392 K393 E394 M399 E400 I406 Y419 L425	I359-L396 HydrophobicContact CB-CD2 4.31Å; I359-L396 HydrophobicContact CD1-CD2 4.44Å; I359-L396 HydrophobicContact CG2-CD1 3.97Å; I359-L396 HydrophobicContact CG2-CD2 4.08Å; I359-L396 HydrophobicContact CG2-CG 3.91Å; L360-L396 HydrophobicContact CD2-CD1 3.74Å; L360-L396 HydrophobicContact CD2-CD2 4.35Å; L360-L396 HydrophobicContact CG-CD1 4.44Å; L360-L396 HydrophobicContact CG-CD2 4.23Å; S392-L396 WeakPolarHBondContact O-CG 3.44Å; S392-L396 PolarHBondContact O-N 3.36Å; K393-L396 PolarHBondContact O-N 2.94Å; E394-L396 PolarHBondContact O-N 3.22Å; L396-M399 HydrophobicContact CD2-SD 4.18Å; L396-M399 WeakPolarHBondContact O-CB 3.36Å; L396-M399 PolarHBondContact O-N 3.19Å; L396-E400 PolarHBondContact O-N 2.95Å; L396-I406 HydrophobicContact CB-CD1 4Å; L396-I406 HydrophobicContact CD2-CD1 3.95Å; L396-I406 HydrophobicContact CG-CD1 4.46Å; L396-Y419 HydrophobicContact CD1-CD2 4.09Å; L396-Y419 HydrophobicContact CD1-CG 4.41Å; L396-L425 HydrophobicContact CB-CD1 3.78Å; L396-L425 HydrophobicContact CB-CD2 4.03Å; L396-L425 HydrophobicContact CD1-CD1 3.93Å
397	A	98.4	Very high	97.4	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-67.9	-36.3	176.3	0	0	0	0	0	112.6	K393 E394 H395 E400 R401 L425 W427	K393-A397 PolarHBondContact O-N 2.84Å; E394-A397 CarbonylContact O-C 3.56Å; E394-A397 WeakPolarHBondContact O-CB 3.41Å; E394-A397 PolarHBondContact O-N 2.77Å; E394-A397 VanDerWaalsContact O-N 3.08Å; H395-A397 VanDerWaalsContact C-N 3.29Å; H395-A397 PolarHBondContact O-N 3.31Å; A397-E400 PolarHBondContact O-N 3.42Å; A397-R401 WeakPolarHBondContact O-CB 3.48Å; A397-R401 PolarHBondContact O-N 3.33Å; A397-R401 VanDerWaalsContact O-N 3.09Å; A397-L425 HydrophobicContact CB-CD2 3.82Å; A397-W427 HydrophobicContact CB-CB 4.46Å; A397-W427 HydrophobicContact CB-CD2 3.5Å; A397-W427 VanDerWaalsContact CB-CD2 3.5Å; A397-W427 VanDerWaalsContact CB-CE2 3.45Å; A397-W427 HydrophobicContact CB-CE3 4.07Å; A397-W427 HydrophobicContact CB-CG 3.67Å; A397-W427 HydrophobicContact CB-CH2 4.47Å; A397-W427 HydrophobicContact CB-CZ2 3.97Å
398	M	98.6	Very high	97.3	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-43.8	171.7	-64.4	176.5	82.2	0	0	110.9	F387 T389 E394 H395 E400 R401 V402 V437 C441	F387-M398 HydrophobicContact CD1-CB 3.77Å; F387-M398 HydrophobicContact CE1-CB 4.22Å; T389-M398 HydrophobicContact CG2-SD 3.9Å; E394-M398 WeakPolarHBondContact O-CG 3.48Å; E394-M398 PolarHBondContact O-N 2.88Å; H395-M398 WeakPolarHBondContact O-CB 3.38Å; H395-M398 PolarHBondContact O-N 3.35Å; M398-E400 PolarHBondContact O-N 3.19Å; M398-R401 PolarHBondContact O-N 3.01Å; M398-V402 WeakPolarHBondContact O-CG2 3.41Å; M398-V402 PolarHBondContact O-N 2.87Å; M398-V437 HydrophobicContact CG-CB 4.49Å; M398-V437 HydrophobicContact CG-CG1 4.06Å; M398-V437 HydrophobicContact CG-CG2 3.79Å; M398-C441 WeakPolarHBondContact CE-SG 3.33Å
399	M	98.6	Very high	97.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-49.1	174.1	-65.2	179.1	-175.2	0	0	110.7	R354 P356 I359 W371 F387 H395 L396 R401 V402 L403 Y468	R354-M399 WeakPolarHBondContact O-CE 3.2Å; P356-M399 HydrophobicContact CB-SD 3.95Å; I359-M399 HydrophobicContact CD1-CE 3.56Å; W371-M399 HydrophobicContact CH2-CE 4.43Å; W371-M399 HydrophobicContact CH2-CG 4.36Å; W371-M399 HydrophobicContact CH2-SD 3.97Å; W371-M399 HydrophobicContact CZ2-CE 3.61Å; W371-M399 HydrophobicContact CZ2-CG 4.09Å; W371-M399 HydrophobicContact CZ2-SD 3.72Å; F387-M399 HydrophobicContact CE1-CB 4.48Å; F387-M399 HydrophobicContact CE1-CG 4Å; F387-M399 HydrophobicContact CE2-CG 4.17Å; F387-M399 HydrophobicContact CZ-CB 4.42Å; F387-M399 HydrophobicContact CZ-CG 3.77Å; H395-M399 VanDerWaalsContact NE2-CE 3.28Å; H395-M399 WeakPolarHBondContact NE2-CE 3.36Å; H395-M399 WeakPolarHBondContact O-CG 3.35Å; H395-M399 PolarHBondContact O-N 3.04Å; L396-M399 HydrophobicContact CD2-SD 4.18Å; L396-M399 WeakPolarHBondContact O-CB 3.36Å; L396-M399 PolarHBondContact O-N 3.19Å; M399-R401 PolarHBondContact O-N 3.08Å; M399-V402 PolarHBondContact O-N 3.11Å; M399-V402 VanDerWaalsContact O-N 3.09Å; M399-L403 PolarHBondContact O-N 2.87Å; M399-Y468 HydrophobicContact CB-CE1 3.92Å; M399-Y468 WeakPolarHBondContact CB-OH 3.22Å; M399-Y468 PolarHBondContact O-OH 2.94Å; M399-Y468 HydrophobicContact SD-CE1 4.29Å
400	E	98.3	Very high	97.4	Very high	57 Å²	57	40.5 Å²	40.5	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-36.6	178.7	-78.3	-159.9	147	0	0	112.9	L396 A397 M398 G404 I406 Y468	L396-E400 PolarHBondContact O-N 2.95Å; A397-E400 PolarHBondContact O-N 3.42Å; M398-E400 PolarHBondContact O-N 3.19Å; E400-G404 VanDerWaalsContact CA-O 3.27Å; E400-G404 WeakPolarHBondContact CA-O 2.94Å; E400-G404 CarbonylContact O-C 3.6Å; E400-G404 VanDerWaalsContact O-CA 3.22Å; E400-G404 WeakPolarHBondContact O-CA 3.38Å; E400-G404 PolarHBondContact O-N 3.09Å; E400-I406 HydrophobicContact CG-CB 4.43Å; E400-I406 HydrophobicContact CG-CD1 3.77Å; E400-I406 HydrophobicContact CG-CG1 3.68Å; E400-I406 PolarHBondContact OE1-N 3.13Å; E400-I406 VanDerWaalsContact OE1-N 3.12Å; E400-Y468 WeakPolarHBondContact CA-OH 3.41Å; E400-Y468 PolarHBondContact N-OH 2.99Å
401	R	97.9	Very high	97.6	Very high	106 Å²	106	33.5 Å²	33.5	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-71.6	-33.3	179.4	-177.6	57.5	179.8	147.5	-1.6	113	A397 M398 M399 V437 C441	A397-R401 WeakPolarHBondContact O-CB 3.48Å; A397-R401 PolarHBondContact O-N 3.33Å; A397-R401 VanDerWaalsContact O-N 3.09Å; M398-R401 PolarHBondContact O-N 3.01Å; M399-R401 PolarHBondContact O-N 3.08Å; R401-V437 HydrophobicContact CB-CG1 4.13Å; R401-V437 HydrophobicContact CG-CG1 4.41Å; R401-C441 HydrophobicContact CB-CB 3.91Å; R401-C441 HydrophobicContact CG-CB 3.44Å; R401-C441 VanDerWaalsContact CG-CB 3.44Å; R401-C441 VanDerWaalsContact CG-O 3.28Å; R401-C441 WeakPolarHBondContact CG-O 3.47Å; R401-C441 PolarHBondContact NE-O 3.36Å
402	V	98.4	Very high	97.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-87.4	-45.9	-177.5	175.9	0	0	0	0	111.9	L386 F387 M398 M399 C441 K442 P443 L444	L386-V402 HydrophobicContact CD1-CG1 4.32Å; L386-V402 HydrophobicContact CD1-CG2 4.2Å; L386-V402 HydrophobicContact CD2-CG1 4.2Å; F387-V402 HydrophobicContact CE1-CB 4.27Å; F387-V402 HydrophobicContact CE1-CG2 4.04Å; M398-V402 WeakPolarHBondContact O-CG2 3.41Å; M398-V402 PolarHBondContact O-N 2.87Å; M399-V402 PolarHBondContact O-N 3.11Å; M399-V402 VanDerWaalsContact O-N 3.09Å; V402-C441 HydrophobicContact CG2-CB 4.06Å; V402-K442 WeakPolarHBondContact CA-O 3.32Å; V402-P443 CarbonylContact O-C 3.32Å; V402-P443 WeakPolarHBondContact O-CA 3.43Å; V402-L444 HydrophobicContact CG1-CB 3.94Å; V402-L444 HydrophobicContact CG1-CD1 4.26Å; V402-L444 PolarHBondContact O-N 3Å
403	L	98.3	Very high	97.5	Very high	45 Å²	45	40.1 Å²	40.1	24%	0.236	21%	0.208	C	C	.	.	H	α-helix	trans	-106.2	-9.9	-168.6	-57.3	170.6	0	0	0	113.2	W371 M399 L444 M466 Y468	W371-L403 HydrophobicContact CH2-CD1 3.41Å; W371-L403 VanDerWaalsContact CH2-CD1 3.41Å; W371-L403 HydrophobicContact CZ2-CD1 4.24Å; W371-L403 HydrophobicContact CZ3-CD1 4.04Å; M399-L403 PolarHBondContact O-N 2.87Å; L403-L444 HydrophobicContact CD2-CB 4.44Å; L403-L444 HydrophobicContact CD2-CD2 3.97Å; L403-M466 HydrophobicContact CD1-CB 4.07Å; L403-M466 HydrophobicContact CD1-CE 4.1Å; L403-M466 HydrophobicContact CD2-CB 4.03Å; L403-M466 HydrophobicContact CD2-CE 4.48Å; L403-M466 HydrophobicContact CD2-SD 4.37Å; L403-Y468 HydrophobicContact CB-CE2 3.96Å; L403-Y468 HydrophobicContact CD1-CE1 4.46Å
404	G	97.7	Very high	97.4	Very high	25 Å²	25	38.1 Å²	38.1	26%	0.258	20%	0.2	S	C	.	.			trans	92.5	178.8	-170.8	0	0	0	0	0	112.4	E400 Y468	E400-G404 VanDerWaalsContact CA-O 3.27Å; E400-G404 WeakPolarHBondContact CA-O 2.94Å; E400-G404 CarbonylContact O-C 3.6Å; E400-G404 VanDerWaalsContact O-CA 3.22Å; E400-G404 WeakPolarHBondContact O-CA 3.38Å; E400-G404 PolarHBondContact O-N 3.09Å; G404-Y468 WeakPolarHBondContact O-CE2 3.5Å; G404-Y468 PolarHBondContact O-OH 3.26Å
405	P	97.3	Very high	97.1	Very high	108 Å²	108	44.4 Å²	44.4	70%	0.701	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-61.1	141.9	-167.5	26.1	-35.2	0	0	0	112.7
406	I	98.1	Very high	96.9	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.9	131.7	173.9	-65	158.3	0	0	0	108.3	L360 L396 E400 T408 L410 L411 Y468	L360-I406 HydrophobicContact CD1-CG2 4.37Å; L396-I406 HydrophobicContact CB-CD1 4Å; L396-I406 HydrophobicContact CD2-CD1 3.95Å; L396-I406 HydrophobicContact CG-CD1 4.46Å; E400-I406 HydrophobicContact CG-CB 4.43Å; E400-I406 HydrophobicContact CG-CD1 3.77Å; E400-I406 HydrophobicContact CG-CG1 3.68Å; E400-I406 PolarHBondContact OE1-N 3.13Å; E400-I406 VanDerWaalsContact OE1-N 3.12Å; I406-T408 PolarHBondContact O-N 2.84Å; I406-L410 HydrophobicContact CG2-CB 4.37Å; I406-L411 HydrophobicContact CB-CD1 4.4Å; I406-L411 HydrophobicContact CB-CD2 4.25Å; I406-L411 HydrophobicContact CB-CG 4.33Å; I406-L411 HydrophobicContact CD1-CD2 4.41Å; I406-L411 HydrophobicContact CG2-CD1 4.45Å; I406-L411 HydrophobicContact CG2-CD2 3.75Å; I406-L411 HydrophobicContact CG2-CG 3.86Å; I406-Y468 HydrophobicContact CG1-CD1 4.15Å; I406-Y468 HydrophobicContact CG1-CE1 3.61Å; I406-Y468 HydrophobicContact CG1-CE2 4.46Å
407	P	97.5	Very high	96.7	Very high	34 Å²	34	54.5 Å²	54.5	22%	0.221	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-53.6	128.4	178	-27.9	33.8	0	0	0	112.6	N409 L410 L411 Y468	P407-N409 WeakPolarHBondContact CB-OD1 3.29Å; P407-N409 PolarHBondContact O-N 3.29Å; P407-L410 HydrophobicContact CB-CD1 4.25Å; P407-L410 HydrophobicContact CB-CG 4.2Å; P407-L410 HydrophobicContact CG-CD1 4.15Å; P407-L410 WeakPolarHBondContact O-CB 3.45Å; P407-L410 PolarHBondContact O-N 2.83Å; P407-L411 PolarHBondContact O-N 3.49Å; P407-Y468 HydrophobicContact CG-CD2 4.37Å; P407-Y468 HydrophobicContact CG-CG 4.47Å
408	T	96.4	Very high	96.5	Very high	67 Å²	67	60.2 Å²	60.2	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-56.1	-37.5	-175.7	-59.7	0	0	0	0	112.8	I406 L410 L411 E412 N423	I406-T408 PolarHBondContact O-N 2.84Å; T408-L410 PolarHBondContact O-N 3.22Å; T408-L411 PolarHBondContact O-N 2.82Å; T408-L411 VanDerWaalsContact O-N 3.12Å; T408-E412 HydrophobicContact CG2-CG 4.17Å; T408-E412 WeakPolarHBondContact O-CG 3.29Å; T408-E412 PolarHBondContact O-N 3.4Å; T408-N423 HydrophobicContact CG2-CB 3.77Å
409	N	96.1	Very high	96.3	Very high	60 Å²	60	60.7 Å²	60.7	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-29.1	176.9	63.6	-51	0	0	0	113.2	P407 K413	P407-N409 WeakPolarHBondContact CB-OD1 3.29Å; P407-N409 PolarHBondContact O-N 3.29Å; N409-K413 WeakPolarHBondContact O-CD 3.38Å; N409-K413 VanDerWaalsContact O-CG 3.23Å; N409-K413 WeakPolarHBondContact O-CG 3.29Å; N409-K413 PolarHBondContact O-N 3.48Å
410	L	96.5	Very high	96.2	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	30%	0.296	C	S	.	.	H	α-helix	trans	-76.1	-42.1	174.8	-61.3	-179.1	0	0	0	111	L360 L362 I406 P407 T408 E412 K413 T414	L360-L410 HydrophobicContact CD1-CB 4.37Å; L362-L410 HydrophobicContact CD1-CB 4.04Å; L362-L410 HydrophobicContact CD1-CD2 3.93Å; I406-L410 HydrophobicContact CG2-CB 4.37Å; P407-L410 HydrophobicContact CB-CD1 4.25Å; P407-L410 HydrophobicContact CB-CG 4.2Å; P407-L410 HydrophobicContact CG-CD1 4.15Å; P407-L410 WeakPolarHBondContact O-CB 3.45Å; P407-L410 PolarHBondContact O-N 2.83Å; T408-L410 PolarHBondContact O-N 3.22Å; L410-E412 VanDerWaalsContact C-N 3.3Å; L410-E412 PolarHBondContact O-N 3.31Å; L410-K413 PolarHBondContact O-N 3.44Å; L410-T414 PolarHBondContact O-N 3.49Å
411	L	96.8	Very high	96	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-33.4	176.5	-61.4	179.7	0	0	0	112.3	L360 I406 P407 T408 T414 R417 V420	L360-L411 HydrophobicContact CD1-CD2 4.45Å; L360-L411 HydrophobicContact CD2-CD2 4.22Å; I406-L411 HydrophobicContact CB-CD1 4.4Å; I406-L411 HydrophobicContact CB-CD2 4.25Å; I406-L411 HydrophobicContact CB-CG 4.33Å; I406-L411 HydrophobicContact CD1-CD2 4.41Å; I406-L411 HydrophobicContact CG2-CD1 4.45Å; I406-L411 HydrophobicContact CG2-CD2 3.75Å; I406-L411 HydrophobicContact CG2-CG 3.86Å; P407-L411 PolarHBondContact O-N 3.49Å; T408-L411 PolarHBondContact O-N 2.82Å; T408-L411 VanDerWaalsContact O-N 3.12Å; L411-T414 WeakPolarHBondContact O-CG2 3.37Å; L411-R417 PolarHBondContact O-NH1 3.42Å; L411-V420 HydrophobicContact CB-CG1 4.19Å; L411-V420 HydrophobicContact CB-CG2 4.02Å; L411-V420 HydrophobicContact CD2-CG2 4.12Å
412	E	95.4	Very high	95.7	Very high	91 Å²	91	69.1 Å²	69.1	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-70.1	-35.3	175.8	-74.7	175.9	168.3	0	0	112.4	T408 L410 R417 N423	T408-E412 HydrophobicContact CG2-CG 4.17Å; T408-E412 WeakPolarHBondContact O-CG 3.29Å; T408-E412 PolarHBondContact O-N 3.4Å; L410-E412 VanDerWaalsContact C-N 3.3Å; L410-E412 PolarHBondContact O-N 3.31Å; E412-R417 VanDerWaalsContact O-CZ 3.32Å; E412-R417 PolarHBondContact O-NH1 3.49Å; E412-R417 PolarHBondContact O-NH2 3.29Å; E412-N423 PolarHBondContact OE1-ND2 3.45Å
413	K	95.6	Very high	95.3	Very high	145 Å²	145	72.5 Å²	72.5	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-77	-23.2	179.7	-72.4	174.2	-177	-175.5	0	113.8	L362 N409 L410	L362-K413 HydrophobicContact CD2-CB 3.71Å; N409-K413 WeakPolarHBondContact O-CD 3.38Å; N409-K413 VanDerWaalsContact O-CG 3.23Å; N409-K413 WeakPolarHBondContact O-CG 3.29Å; N409-K413 PolarHBondContact O-N 3.48Å; L410-K413 PolarHBondContact O-N 3.44Å
414	T	95.4	Very high	95.2	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	36%	0.363	C	S	.	.			trans	-64.6	138.5	-176	-177.8	0	0	0	0	112.9	L360 L410 L411 K416 R417 V420	L360-T414 HydrophobicContact CD2-CG2 4.22Å; L360-T414 VanDerWaalsContact O-CB 3.26Å; L360-T414 WeakPolarHBondContact O-CB 3.43Å; L360-T414 PolarHBondContact O-OG1 3.42Å; L410-T414 PolarHBondContact O-N 3.49Å; L411-T414 WeakPolarHBondContact O-CG2 3.37Å; T414-K416 VanDerWaalsContact C-N 3.26Å; T414-K416 WeakPolarHBondContact OG1-CB 3.35Å; T414-K416 PolarHBondContact OG1-N 3.08Å; T414-R417 PolarHBondContact O-NE 3.26Å; T414-R417 PolarHBondContact O-NH1 2.93Å; T414-V420 HydrophobicContact CG2-CG2 3.8Å
415	K	92.1	Very high	95.1	Very high	163 Å²	163	77.1 Å²	77.1	71%	0.709	36%	0.355	S	S	*	.	S	Bend	trans	-74.9	-17.9	169.4	-64.5	176.4	-175.2	168	0	112.2	R417	K415-R417 PolarHBondContact O-N 3.21Å
416	K	93.6	Very high	95.1	Very high	69 Å²	69	75.4 Å²	75.4	30%	0.3	34%	0.34	S	S	.	.			trans	-81.1	63.1	-177.6	-57	-70.5	-175.9	178.4	0	111.4	D361 T414 R418 Y419	D361-K416 HydrophobicContact CB-CG 4.24Å; T414-K416 VanDerWaalsContact C-N 3.26Å; T414-K416 WeakPolarHBondContact OG1-CB 3.35Å; T414-K416 PolarHBondContact OG1-N 3.08Å; K416-R418 PolarHBondContact O-N 2.83Å; K416-Y419 HydrophobicContact CB-CD2 3.4Å; K416-Y419 VanDerWaalsContact CB-CD2 3.4Å; K416-Y419 HydrophobicContact CB-CE2 3.61Å; K416-Y419 HydrophobicContact CB-CG 4.17Å; K416-Y419 HydrophobicContact CD-CE2 4.37Å; K416-Y419 HydrophobicContact CG-CD2 4.13Å; K416-Y419 HydrophobicContact CG-CE2 3.86Å; K416-Y419 WeakPolarHBondContact O-CB 3.4Å; K416-Y419 PolarHBondContact O-N 2.86Å
417	R	92.9	Very high	95	Very high	145 Å²	145	77.7 Å²	77.7	55%	0.547	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-55.3	-25.1	-176.8	-62.2	-59.1	-179.7	-156.1	-1	114.4	L411 E412 T414 K415 Y419 V420	L411-R417 PolarHBondContact O-NH1 3.42Å; E412-R417 VanDerWaalsContact O-CZ 3.32Å; E412-R417 PolarHBondContact O-NH1 3.49Å; E412-R417 PolarHBondContact O-NH2 3.29Å; T414-R417 PolarHBondContact O-NE 3.26Å; T414-R417 PolarHBondContact O-NH1 2.93Å; K415-R417 PolarHBondContact O-N 3.21Å; R417-Y419 PolarHBondContact O-N 3.25Å; R417-Y419 VanDerWaalsContact O-N 3.13Å; R417-V420 PolarHBondContact O-N 2.92Å; R417-V420 VanDerWaalsContact O-N 3.07Å
418	R	94.7	Very high	94.8	Very high	126 Å²	126	80.3 Å²	80.3	48%	0.475	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-59.6	-18.2	172.6	72.7	-175.3	-176.6	-163.6	4.9	114.4	E20 K393 K416	E20-R418 IonicContact OE1-CZ 2.94Å; E20-R418 IonicContact OE1-NH1 3.44Å; E20-R418 PolarHBondContact OE1-NH1 2.72Å; E20-R418 IonicContact OE1-NH2 3.81Å; E20-R418 PolarHBondContact OE1-NH2 3.4Å; K393-R418 WeakPolarHBondContact CE-O 3.33Å; K393-R418 PolarHBondContact NZ-O 2.84Å; K416-R418 PolarHBondContact O-N 2.83Å
419	Y	94.7	Very high	94.7	Very high	12 Å²	12	81 Å²	81	5%	0.047	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-90	-10.7	177.6	-59.3	-26.9	0	0	0	113.3	S392 K393 L396 K416 R417 L425 D426	S392-Y419 WeakPolarHBondContact CB-OH 3.36Å; K393-Y419 HydrophobicContact CB-CD1 4.03Å; K393-Y419 HydrophobicContact CB-CE1 4.04Å; K393-Y419 HydrophobicContact CG-CD1 4.22Å; L396-Y419 HydrophobicContact CD1-CD2 4.09Å; L396-Y419 HydrophobicContact CD1-CG 4.41Å; K416-Y419 HydrophobicContact CB-CD2 3.4Å; K416-Y419 VanDerWaalsContact CB-CD2 3.4Å; K416-Y419 HydrophobicContact CB-CE2 3.61Å; K416-Y419 HydrophobicContact CB-CG 4.17Å; K416-Y419 HydrophobicContact CD-CE2 4.37Å; K416-Y419 HydrophobicContact CG-CD2 4.13Å; K416-Y419 HydrophobicContact CG-CE2 3.86Å; K416-Y419 WeakPolarHBondContact O-CB 3.4Å; K416-Y419 PolarHBondContact O-N 2.86Å; R417-Y419 PolarHBondContact O-N 3.25Å; R417-Y419 VanDerWaalsContact O-N 3.13Å; Y419-L425 WeakPolarHBondContact O-CA 3.19Å; Y419-D426 PolarHBondContact O-N 3.29Å
420	V	95.7	Very high	94.6	Very high	26 Å²	26	85.5 Å²	85.5	16%	0.158	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.1	-168	-173.7	0	0	0	0	110.9	L411 T414 R417 K424	L411-V420 HydrophobicContact CB-CG1 4.19Å; L411-V420 HydrophobicContact CB-CG2 4.02Å; L411-V420 HydrophobicContact CD2-CG2 4.12Å; T414-V420 HydrophobicContact CG2-CG2 3.8Å; R417-V420 PolarHBondContact O-N 2.92Å; R417-V420 VanDerWaalsContact O-N 3.07Å; V420-K424 CarbonylContact C-O 3.4Å; V420-K424 WeakPolarHBondContact CA-O 3.48Å
421	H	94.7	Very high	94.6	Very high	103 Å²	103	86.6 Å²	86.6	48%	0.477	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126	170.4	-174.1	76.8	0	0	0	109.5	N423 K424 D426	H421-N423 VanDerWaalsContact C-N 3.3Å; H421-N423 PolarHBondContact O-N 3.35Å; H421-K424 PolarHBondContact N-O 2.84Å; H421-K424 PolarHBondContact O-N 2.72Å; H421-K424 VanDerWaalsContact O-N 3.07Å; H421-D426 HydrophobicContact CB-CB 3.78Å
422	R	91.7	Very high	94.5	Very high	211 Å²	211	91 Å²	91	80%	0.796	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	48.9	-178.2	-62.5	174.2	-179.2	-172.7	-1.7	112.8	K424	R422-K424 PolarHBondContact O-N 2.8Å; R422-K424 VanDerWaalsContact O-N 3.15Å
423	N	90.7	Very high	94.4	Very high	77 Å²	77	87.9 Å²	87.9	41%	0.412	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	21.1	178.7	-70.6	-4.3	0	0	0	115.2	T408 E412 H421	T408-N423 HydrophobicContact CG2-CB 3.77Å; E412-N423 PolarHBondContact OE1-ND2 3.45Å; H421-N423 VanDerWaalsContact C-N 3.3Å; H421-N423 PolarHBondContact O-N 3.35Å
424	K	94.9	Very high	94.4	Very high	151 Å²	151	81.1 Å²	81.1	66%	0.657	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.8	174.6	-64.5	-176.3	179	-176	0	110	V420 H421 R422 D426	V420-K424 CarbonylContact C-O 3.4Å; V420-K424 WeakPolarHBondContact CA-O 3.48Å; H421-K424 PolarHBondContact N-O 2.84Å; H421-K424 PolarHBondContact O-N 2.72Å; H421-K424 VanDerWaalsContact O-N 3.07Å; R422-K424 PolarHBondContact O-N 2.8Å; R422-K424 VanDerWaalsContact O-N 3.15Å; K424-D426 PolarHBondContact O-N 3.45Å
425	L	96.3	Very high	94.4	Very high	15 Å²	15	89.1 Å²	89.1	8%	0.079	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	124.9	171.2	-172.8	71.8	0	0	0	109.5	L396 A397 Y419 W427	L396-L425 HydrophobicContact CB-CD1 3.78Å; L396-L425 HydrophobicContact CB-CD2 4.03Å; L396-L425 HydrophobicContact CD1-CD1 3.93Å; A397-L425 HydrophobicContact CB-CD2 3.82Å; Y419-L425 WeakPolarHBondContact O-CA 3.19Å; L425-W427 VanDerWaalsContact C-N 3.28Å; L425-W427 HydrophobicContact CD2-CB 3.98Å; L425-W427 HydrophobicContact CG-CB 4.08Å; L425-W427 PolarHBondContact O-N 3.02Å
426	D	96.4	Very high	94.6	Very high	72 Å²	72	84.9 Å²	84.9	39%	0.385	39%	0.394	S	S	.	.			trans	-77.5	78.7	175.9	177.8	42.1	0	0	0	109.9	K393 Y419 H421 K424	K393-D426 VanDerWaalsContact CD-O 3.24Å; K393-D426 WeakPolarHBondContact CD-O 3.42Å; K393-D426 VanDerWaalsContact CE-O 3.24Å; K393-D426 WeakPolarHBondContact CE-O 3.19Å; K393-D426 PolarHBondContact NZ-O 2.94Å; K393-D426 IonicContact NZ-OD2 3.61Å; K393-D426 PolarHBondContact NZ-OD2 3.04Å; Y419-D426 PolarHBondContact O-N 3.29Å; H421-D426 HydrophobicContact CB-CB 3.78Å; K424-D426 PolarHBondContact O-N 3.45Å
427	W	96.2	Very high	94.7	Very high	54 Å²	54	81.9 Å²	81.9	21%	0.205	38%	0.381	C	S	.	.			trans	-128	124.6	-175.2	-177.1	-109.7	0	0	0	112.3	K393 E394 A397 L425 V429 A433 V437	K393-W427 HydrophobicContact CD-CE3 4.07Å; K393-W427 HydrophobicContact CD-CZ3 4.48Å; K393-W427 HydrophobicContact CG-CE3 3.89Å; K393-W427 HydrophobicContact CG-CZ3 4.25Å; E394-W427 HydrophobicContact CB-CH2 3.68Å; E394-W427 HydrophobicContact CB-CZ3 4.06Å; E394-W427 HydrophobicContact CG-CH2 3.77Å; E394-W427 HydrophobicContact CG-CZ2 4.3Å; A397-W427 HydrophobicContact CB-CB 4.46Å; A397-W427 HydrophobicContact CB-CD2 3.5Å; A397-W427 VanDerWaalsContact CB-CD2 3.5Å; A397-W427 VanDerWaalsContact CB-CE2 3.45Å; A397-W427 HydrophobicContact CB-CE3 4.07Å; A397-W427 HydrophobicContact CB-CG 3.67Å; A397-W427 HydrophobicContact CB-CH2 4.47Å; A397-W427 HydrophobicContact CB-CZ2 3.97Å; L425-W427 VanDerWaalsContact C-N 3.28Å; L425-W427 HydrophobicContact CD2-CB 3.98Å; L425-W427 HydrophobicContact CG-CB 4.08Å; L425-W427 PolarHBondContact O-N 3.02Å; W427-V429 PolarHBondContact O-N 2.94Å; W427-A433 HydrophobicContact CH2-CB 3.61Å; W427-A433 HydrophobicContact CZ2-CB 3.94Å; W427-V437 HydrophobicContact CZ2-CG2 3.82Å
428	D	94.8	Very high	94.8	Very high	88 Å²	88	82.1 Å²	82.1	47%	0.471	39%	0.386	S	S	.	.			trans	-85.9	104.9	173.6	177.3	15	0	0	0	110.9	H430 S431	D428-H430 PolarHBondContact O-N 2.7Å; D428-H430 WeakPolarHBondContact OD1-CA 3.4Å; D428-H430 WeakPolarHBondContact OD1-CB 3.47Å; D428-H430 IonicContact OD1-CD2 3.31Å; D428-H430 PolarHBondContact OD1-N 2.97Å; D428-S431 WeakPolarHBondContact O-CB 3.47Å; D428-S431 PolarHBondContact O-N 2.9Å; D428-S431 PolarHBondContact O-OG 3.44Å; D428-S431 PolarHBondContact OD1-N 3.38Å; D428-S431 WeakPolarHBondContact OD2-CB 3.41Å; D428-S431 PolarHBondContact OD2-N 3.1Å
429	V	93.1	Very high	94.8	Very high	81 Å²	81	83.6 Å²	83.6	49%	0.491	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.5	177.6	-62.7	0	0	0	0	114	W427 G434	W427-V429 PolarHBondContact O-N 2.94Å; V429-G434 CarbonylContact O-C 3.56Å
430	H	94.6	Very high	94.8	Very high	155 Å²	155	87.3 Å²	87.3	72%	0.718	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-14.2	-179.1	-59.8	-67	0	0	0	113.2	D428	D428-H430 PolarHBondContact O-N 2.7Å; D428-H430 WeakPolarHBondContact OD1-CA 3.4Å; D428-H430 WeakPolarHBondContact OD1-CB 3.47Å; D428-H430 IonicContact OD1-CD2 3.31Å; D428-H430 PolarHBondContact OD1-N 2.97Å
431	S	95.8	Very high	94.8	Very high	34 Å²	34	86.1 Å²	86.1	24%	0.238	41%	0.406	C	S	.	.	S	Bend	trans	-58.2	166.5	173	71.4	0	0	0	0	112.5	D428 A433 G434 R435	D428-S431 WeakPolarHBondContact O-CB 3.47Å; D428-S431 PolarHBondContact O-N 2.9Å; D428-S431 PolarHBondContact O-OG 3.44Å; D428-S431 PolarHBondContact OD1-N 3.38Å; D428-S431 WeakPolarHBondContact OD2-CB 3.41Å; D428-S431 PolarHBondContact OD2-N 3.1Å; S431-A433 VanDerWaalsContact C-N 3.31Å; S431-A433 PolarHBondContact O-N 3.41Å; S431-G434 PolarHBondContact O-N 3.37Å; S431-G434 PolarHBondContact OG-N 2.84Å; S431-R435 WeakPolarHBondContact O-CG 3.22Å; S431-R435 PolarHBondContact O-N 3.42Å
432	S	94.4	Very high	94.9	Very high	93 Å²	93	86.4 Å²	86.4	65%	0.65	41%	0.406	S	S	*	.	H	α-helix	trans	-56.7	-45.2	172.8	47.1	0	0	0	0	112	R435 Y436	S432-R435 PolarHBondContact O-N 3.29Å; S432-Y436 PolarHBondContact O-N 3.1Å
433	A	94.5	Very high	95.2	Very high	26 Å²	26	78.5 Å²	78.5	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-42.2	176.2	0	0	0	0	0	111.6	W427 S431 R435 Y436 V437	W427-A433 HydrophobicContact CH2-CB 3.61Å; W427-A433 HydrophobicContact CZ2-CB 3.94Å; S431-A433 VanDerWaalsContact C-N 3.31Å; S431-A433 PolarHBondContact O-N 3.41Å; A433-R435 VanDerWaalsContact C-N 3.33Å; A433-R435 PolarHBondContact O-N 2.88Å; A433-Y436 WeakPolarHBondContact O-CB 3.39Å; A433-Y436 PolarHBondContact O-N 2.75Å; A433-Y436 VanDerWaalsContact O-N 3.08Å; A433-V437 WeakPolarHBondContact O-CG2 3.4Å; A433-V437 PolarHBondContact O-N 3.18Å
434	G	95.3	Very high	95.5	Very high	2 Å²	2	75.2 Å²	75.2	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-42.1	175.1	0	0	0	0	0	113	V429 S431 V437 K438	V429-G434 CarbonylContact O-C 3.56Å; S431-G434 PolarHBondContact O-N 3.37Å; S431-G434 PolarHBondContact OG-N 2.84Å; G434-V437 PolarHBondContact O-N 2.93Å; G434-K438 WeakPolarHBondContact O-CB 3.3Å; G434-K438 PolarHBondContact O-N 3.21Å
435	R	95.8	Very high	95.5	Very high	168 Å²	168	73.7 Å²	73.7	63%	0.634	36%	0.358	S	S	*	.	H	α-helix	trans	-66.4	-37.6	173.4	-72.2	-172.4	-69	162.2	-2.1	112.7	S431 S432 A433 K439	S431-R435 WeakPolarHBondContact O-CG 3.22Å; S431-R435 PolarHBondContact O-N 3.42Å; S432-R435 PolarHBondContact O-N 3.29Å; A433-R435 VanDerWaalsContact C-N 3.33Å; A433-R435 PolarHBondContact O-N 2.88Å; R435-K439 WeakPolarHBondContact O-CB 3.31Å; R435-K439 PolarHBondContact O-N 2.8Å; R435-K439 VanDerWaalsContact O-N 3.08Å
436	Y	95.6	Very high	95.6	Very high	75 Å²	75	79.4 Å²	79.4	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-51.4	174.4	173.7	-93.1	0	0	0	111.1	S432 A433 K438 K439 H440	S432-Y436 PolarHBondContact O-N 3.1Å; A433-Y436 WeakPolarHBondContact O-CB 3.39Å; A433-Y436 PolarHBondContact O-N 2.75Å; A433-Y436 VanDerWaalsContact O-N 3.08Å; Y436-K438 PolarHBondContact O-N 3.41Å; Y436-K439 PolarHBondContact O-N 3.25Å; Y436-H440 AromaticContact CD2-CE1 3.41Å; Y436-H440 VanDerWaalsContact CD2-CE1 3.41Å; Y436-H440 WeakPolarHBondContact CD2-CE1 3.41Å; Y436-H440 AromaticContact CD2-ND1 3.3Å; Y436-H440 VanDerWaalsContact CD2-ND1 3.3Å; Y436-H440 WeakPolarHBondContact CD2-ND1 3.5Å; Y436-H440 AromaticContact CE2-CE1 3.48Å; Y436-H440 VanDerWaalsContact CE2-CE1 3.48Å; Y436-H440 WeakPolarHBondContact CE2-CE1 3.4Å; Y436-H440 AromaticContact CE2-ND1 3.36Å; Y436-H440 WeakPolarHBondContact CE2-ND1 3.26Å; Y436-H440 AromaticContact CG-ND1 3.8Å; Y436-H440 AromaticContact CZ-ND1 3.92Å; Y436-H440 PolarHBondContact O-N 2.76Å; Y436-H440 PolarHBondContact O-ND1 2.63Å
437	V	96.6	Very high	95.6	Very high	5 Å²	5	78 Å²	78	3%	0.03	37%	0.373	C	S	.	.	H	α-helix	trans	-58.6	-48	177.6	173.9	0	0	0	0	110.7	E394 M398 R401 W427 A433 G434 K439 H440 C441	E394-V437 HydrophobicContact CG-CG2 3.81Å; M398-V437 HydrophobicContact CG-CB 4.49Å; M398-V437 HydrophobicContact CG-CG1 4.06Å; M398-V437 HydrophobicContact CG-CG2 3.79Å; R401-V437 HydrophobicContact CB-CG1 4.13Å; R401-V437 HydrophobicContact CG-CG1 4.41Å; W427-V437 HydrophobicContact CZ2-CG2 3.82Å; A433-V437 WeakPolarHBondContact O-CG2 3.4Å; A433-V437 PolarHBondContact O-N 3.18Å; G434-V437 PolarHBondContact O-N 2.93Å; V437-K439 PolarHBondContact O-N 2.85Å; V437-H440 PolarHBondContact O-N 3.35Å; V437-C441 HydrophobicContact CG1-CB 4.3Å; V437-C441 VanDerWaalsContact O-CB 3.27Å; V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 3.13Å
438	K	94.4	Very high	95.5	Very high	150 Å²	150	77.8 Å²	77.8	65%	0.652	38%	0.376	S	S	*	.	H	α-helix	trans	-58.6	-35.6	179.4	-175.4	177.3	-179.7	179	0	113	G434 Y436	G434-K438 WeakPolarHBondContact O-CB 3.3Å; G434-K438 PolarHBondContact O-N 3.21Å; Y436-K438 PolarHBondContact O-N 3.41Å
439	K	94.6	Very high	95.3	Very high	158 Å²	158	79.3 Å²	79.3	69%	0.687	39%	0.388	S	S	*	.	H	α-helix	trans	-77.3	-41.9	-178.2	-177.9	175.6	176.9	-179.5	0	112.5	R435 Y436 V437	R435-K439 WeakPolarHBondContact O-CB 3.31Å; R435-K439 PolarHBondContact O-N 2.8Å; R435-K439 VanDerWaalsContact O-N 3.08Å; Y436-K439 PolarHBondContact O-N 3.25Å; V437-K439 PolarHBondContact O-N 2.85Å
440	H	94.2	Very high	95.2	Very high	90 Å²	90	77.5 Å²	77.5	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-98.9	-21.3	-170.2	-58.6	94.1	0	0	0	113.8	Y436 V437 Y447	Y436-H440 AromaticContact CD2-CE1 3.41Å; Y436-H440 VanDerWaalsContact CD2-CE1 3.41Å; Y436-H440 WeakPolarHBondContact CD2-CE1 3.41Å; Y436-H440 AromaticContact CD2-ND1 3.3Å; Y436-H440 VanDerWaalsContact CD2-ND1 3.3Å; Y436-H440 WeakPolarHBondContact CD2-ND1 3.5Å; Y436-H440 AromaticContact CE2-CE1 3.48Å; Y436-H440 VanDerWaalsContact CE2-CE1 3.48Å; Y436-H440 WeakPolarHBondContact CE2-CE1 3.4Å; Y436-H440 AromaticContact CE2-ND1 3.36Å; Y436-H440 WeakPolarHBondContact CE2-ND1 3.26Å; Y436-H440 AromaticContact CG-ND1 3.8Å; Y436-H440 AromaticContact CZ-ND1 3.92Å; Y436-H440 PolarHBondContact O-N 2.76Å; Y436-H440 PolarHBondContact O-ND1 2.63Å; V437-H440 PolarHBondContact O-N 3.35Å; H440-Y447 PolarHBondContact O-OH 2.92Å
441	C	96.7	Very high	95	Very high	1 Å²	1	81.8 Å²	81.8	1%	0.007	39%	0.389	C	S	.	.			trans	-102.4	130.2	177.7	-62.4	0	0	0	0	111.5	M398 R401 V402 V437	M398-C441 WeakPolarHBondContact CE-SG 3.33Å; R401-C441 HydrophobicContact CB-CB 3.91Å; R401-C441 HydrophobicContact CG-CB 3.44Å; R401-C441 VanDerWaalsContact CG-CB 3.44Å; R401-C441 VanDerWaalsContact CG-O 3.28Å; R401-C441 WeakPolarHBondContact CG-O 3.47Å; R401-C441 PolarHBondContact NE-O 3.36Å; V402-C441 HydrophobicContact CG2-CB 4.06Å; V437-C441 HydrophobicContact CG1-CB 4.3Å; V437-C441 VanDerWaalsContact O-CB 3.27Å; V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 3.13Å
442	K	96.4	Very high	94.9	Very high	109 Å²	109	82.5 Å²	82.5	47%	0.474	39%	0.394	S	S	.	.			trans	-124.6	160.2	175.2	-61.3	177.7	-175.1	174.5	0	109.3	V402 L444 H446 Y447	V402-K442 WeakPolarHBondContact CA-O 3.32Å; K442-L444 PolarHBondContact O-N 2.89Å; K442-H446 HydrophobicContact CB-CB 4.14Å; K442-Y447 HydrophobicContact CB-CE2 4.22Å; K442-Y447 PolarHBondContact N-OH 3.14Å; K442-Y447 VanDerWaalsContact N-OH 3.13Å; K442-Y447 VanDerWaalsContact O-CE2 3.25Å; K442-Y447 WeakPolarHBondContact O-CE2 3.37Å
443	P	98	Very high	95	Very high	45 Å²	45	82.3 Å²	82.3	29%	0.292	38%	0.383	S	S	.	.			trans	-53.2	141.9	171.9	-25.9	35.3	0	0	0	111.6	V402 K445 H446	V402-P443 CarbonylContact O-C 3.32Å; V402-P443 WeakPolarHBondContact O-CA 3.43Å; P443-K445 VanDerWaalsContact C-N 3.27Å; P443-K445 PolarHBondContact O-N 3.14Å; P443-K445 VanDerWaalsContact O-N 3.1Å; P443-H446 VanDerWaalsContact O-CB 3.29Å; P443-H446 WeakPolarHBondContact O-CB 3.27Å; P443-H446 PolarHBondContact O-N 3.28Å
444	L	97	Very high	95.1	Very high	7 Å²	7	83.5 Å²	83.5	4%	0.037	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-48.6	-45.5	-170.9	-179.6	60.2	0	0	0	113.1	I378 V402 L403 K442 H446 Y447 F459 I462 E463	I378-L444 HydrophobicContact CD1-CD1 3.45Å; I378-L444 VanDerWaalsContact CD1-CD1 3.45Å; V402-L444 HydrophobicContact CG1-CB 3.94Å; V402-L444 HydrophobicContact CG1-CD1 4.26Å; V402-L444 PolarHBondContact O-N 3Å; L403-L444 HydrophobicContact CD2-CB 4.44Å; L403-L444 HydrophobicContact CD2-CD2 3.97Å; K442-L444 PolarHBondContact O-N 2.89Å; L444-H446 PolarHBondContact O-N 2.89Å; L444-H446 VanDerWaalsContact O-N 3.12Å; L444-Y447 WeakPolarHBondContact O-CB 3.29Å; L444-Y447 WeakPolarHBondContact O-CD2 3.43Å; L444-Y447 PolarHBondContact O-N 2.9Å; L444-Y447 VanDerWaalsContact O-N 3.13Å; L444-F459 HydrophobicContact CD1-CD1 4.09Å; L444-F459 HydrophobicContact CD1-CE1 3.95Å; L444-F459 HydrophobicContact CG-CD1 4.01Å; L444-F459 HydrophobicContact CG-CE1 4.3Å; L444-F459 VanDerWaalsContact O-CE1 3.27Å; L444-F459 WeakPolarHBondContact O-CE1 3.41Å; L444-I462 HydrophobicContact CD1-CG2 4.39Å; L444-I462 HydrophobicContact CD2-CG2 4.28Å; L444-E463 HydrophobicContact CD2-CB 3.9Å; L444-E463 HydrophobicContact CD2-CG 4.35Å
445	K	95.8	Very high	95.2	Very high	119 Å²	119	84.7 Å²	84.7	52%	0.517	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-64.2	-18.7	-178	-63.8	179	-179.7	168.5	0	113.9	P443 Y447 I448 E463	P443-K445 VanDerWaalsContact C-N 3.27Å; P443-K445 PolarHBondContact O-N 3.14Å; P443-K445 VanDerWaalsContact O-N 3.1Å; K445-Y447 VanDerWaalsContact C-N 3.26Å; K445-Y447 PolarHBondContact O-N 3.14Å; K445-I448 HydrophobicContact CB-CD1 4.49Å; K445-I448 WeakPolarHBondContact O-CG1 3.34Å; K445-I448 PolarHBondContact O-N 2.8Å; K445-E463 VanDerWaalsContact CE-OE1 3.31Å; K445-E463 WeakPolarHBondContact CE-OE1 3.4Å; K445-E463 WeakPolarHBondContact CE-OE2 3.46Å; K445-E463 IonicContact NZ-OE1 3.91Å; K445-E463 PolarHBondContact NZ-OE1 2.81Å; K445-E463 IonicContact NZ-OE2 3.71Å; K445-E463 PolarHBondContact NZ-OE2 3.47Å
446	H	96.6	Very high	95.2	Very high	136 Å²	136	83.2 Å²	83.2	63%	0.63	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-78.3	-10.5	179	-68.6	-147.9	0	0	0	112.9	K442 P443 L444 I448	K442-H446 HydrophobicContact CB-CB 4.14Å; P443-H446 VanDerWaalsContact O-CB 3.29Å; P443-H446 WeakPolarHBondContact O-CB 3.27Å; P443-H446 PolarHBondContact O-N 3.28Å; L444-H446 PolarHBondContact O-N 2.89Å; L444-H446 VanDerWaalsContact O-N 3.12Å; H446-I448 VanDerWaalsContact C-N 3.31Å
447	Y	96.5	Very high	95.4	Very high	41 Å²	41	81.1 Å²	81.1	16%	0.161	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-83	-7.3	175.1	-70.3	-76.4	0	0	0	112.9	Y381 L382 L386 H440 K442 L444 K445 V449	Y381-Y447 WeakPolarHBondContact CE1-O 3.4Å; L382-Y447 HydrophobicContact CD1-CD1 3.73Å; L382-Y447 HydrophobicContact CD1-CE1 4.17Å; L382-Y447 HydrophobicContact CD1-CG 4.21Å; L382-Y447 HydrophobicContact CD2-CD1 4.05Å; L386-Y447 HydrophobicContact CD1-CE2 4.13Å; H440-Y447 PolarHBondContact O-OH 2.92Å; K442-Y447 HydrophobicContact CB-CE2 4.22Å; K442-Y447 PolarHBondContact N-OH 3.14Å; K442-Y447 VanDerWaalsContact N-OH 3.13Å; K442-Y447 VanDerWaalsContact O-CE2 3.25Å; K442-Y447 WeakPolarHBondContact O-CE2 3.37Å; L444-Y447 WeakPolarHBondContact O-CB 3.29Å; L444-Y447 WeakPolarHBondContact O-CD2 3.43Å; L444-Y447 PolarHBondContact O-N 2.9Å; L444-Y447 VanDerWaalsContact O-N 3.13Å; K445-Y447 VanDerWaalsContact C-N 3.26Å; K445-Y447 PolarHBondContact O-N 3.14Å; Y447-V449 PolarHBondContact O-N 3.31Å
448	I	95.7	Very high	95.4	Very high	51 Å²	51	80.9 Å²	80.9	26%	0.262	38%	0.377	S	S	.	.			trans	-70.8	114.4	-179.4	-59.6	173.5	0	0	0	110.2	K445 H446 S450 H455 F459	K445-I448 HydrophobicContact CB-CD1 4.49Å; K445-I448 WeakPolarHBondContact O-CG1 3.34Å; K445-I448 PolarHBondContact O-N 2.8Å; H446-I448 VanDerWaalsContact C-N 3.31Å; I448-S450 WeakPolarHBondContact CG2-O 3.46Å; I448-H455 HydrophobicContact CG2-CB 4.27Å; I448-F459 HydrophobicContact CD1-CB 3.87Å; I448-F459 HydrophobicContact CD1-CD1 4Å; I448-F459 HydrophobicContact CD1-CD2 4.25Å; I448-F459 HydrophobicContact CD1-CG 3.75Å; I448-F459 HydrophobicContact CG1-CB 4.16Å; I448-F459 HydrophobicContact CG1-CD1 3.56Å; I448-F459 HydrophobicContact CG1-CD2 3.64Å; I448-F459 HydrophobicContact CG1-CE1 3.79Å; I448-F459 HydrophobicContact CG1-CE2 3.85Å; I448-F459 HydrophobicContact CG1-CG 3.47Å; I448-F459 VanDerWaalsContact CG1-CG 3.47Å; I448-F459 HydrophobicContact CG1-CZ 3.91Å
449	V	90	Very high	95.6	Very high	119 Å²	119	74 Å²	74	72%	0.721	35%	0.347	S	S	*	.			trans	-88.4	-18	-179.5	-60.2	0	0	0	0	114.8	Y381 Y447	Y381-V449 HydrophobicContact CE1-CG2 4.25Å; Y381-V449 WeakPolarHBondContact OH-CG2 3.47Å; Y381-V449 PolarHBondContact OH-N 3.12Å; Y447-V449 PolarHBondContact O-N 3.31Å
450	S	91.4	Very high	95.8	Very high	44 Å²	44	69 Å²	69	31%	0.308	33%	0.328	S	S	.	.			trans	-129.8	145.7	-177.9	176.6	0	0	0	0	111.4	I448 S452 H455	I448-S450 WeakPolarHBondContact CG2-O 3.46Å; S450-S452 VanDerWaalsContact C-N 3.29Å; S450-S452 PolarHBondContact OG-N 2.75Å; S450-S452 PolarHBondContact OG-OG 2.82Å; S450-H455 WeakPolarHBondContact CB-ND1 3.28Å
451	R	90	Very high	96	Very high	245 Å²	245	64.8 Å²	64.8	93%	0.925	31%	0.308	S	S	*	.			trans	-84.6	-0	177.2	-66	-175.2	175.5	171.1	-0.5	113.8
452	S	94.1	Very high	96.1	Very high	48 Å²	48	64.7 Å²	64.7	34%	0.336	31%	0.308	S	S	.	.	S	Bend	trans	-65.3	151.9	179.2	65.2	0	0	0	0	112	S450 D454 H455 R456	S450-S452 VanDerWaalsContact C-N 3.29Å; S450-S452 PolarHBondContact OG-N 2.75Å; S450-S452 PolarHBondContact OG-OG 2.82Å; S452-D454 VanDerWaalsContact C-N 3.26Å; S452-D454 PolarHBondContact O-N 2.88Å; S452-H455 PolarHBondContact O-N 2.78Å; S452-H455 PolarHBondContact OG-CD2 2.78Å; S452-R456 PolarHBondContact O-N 2.92Å
453	E	95.6	Very high	96.2	Very high	90 Å²	90	63.1 Å²	63.1	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-58.3	-40.6	-176.4	-168	58	-153.9	0	0	112.7	H455 R456 L457	E453-H455 PolarHBondContact O-N 3.25Å; E453-R456 PolarHBondContact O-N 3.37Å; E453-R456 IonicContact OE1-CZ 2.93Å; E453-R456 IonicContact OE1-NE 3.64Å; E453-R456 IonicContact OE1-NH2 2.94Å; E453-R456 PolarHBondContact OE1-NH2 3.1Å; E453-R456 IonicContact OE2-CZ 3.08Å; E453-R456 IonicContact OE2-NE 3.03Å; E453-R456 PolarHBondContact OE2-NE 2.97Å; E453-R456 IonicContact OE2-NH2 2.8Å; E453-R456 PolarHBondContact OE2-NH2 3.07Å; E453-L457 HydrophobicContact CG-CD1 3.87Å; E453-L457 HydrophobicContact CG-CG 4.1Å; E453-L457 WeakPolarHBondContact O-CG 3.2Å; E453-L457 PolarHBondContact O-N 2.68Å
454	D	95.8	Very high	96.3	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-54.1	-41.4	179.8	-73.8	-2.6	0	0	0	112.7	V270 R274 S452 L458 F484	V270-D454 HydrophobicContact CG1-CB 4.16Å; V270-D454 HydrophobicContact CG2-CB 4.27Å; R274-D454 IonicContact CZ-OD2 2.59Å; R274-D454 IonicContact NH1-OD2 2.91Å; R274-D454 IonicContact NH2-OD1 3.42Å; R274-D454 PolarHBondContact NH2-OD1 2.86Å; R274-D454 IonicContact NH2-OD2 3.75Å; R274-D454 PolarHBondContact NH2-OD2 3.23Å; S452-D454 VanDerWaalsContact C-N 3.26Å; S452-D454 PolarHBondContact O-N 2.88Å; D454-L458 WeakPolarHBondContact O-CB 3.24Å; D454-L458 PolarHBondContact O-N 2.63Å; D454-F484 WeakPolarHBondContact O-CE2 3.49Å
455	H	97.4	Very high	96.4	Very high	26 Å²	26	64.5 Å²	64.5	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-72.8	-38.6	179.8	-69.4	-123.5	0	0	0	111.1	Y381 I448 S450 S452 E453 L458 F459	Y381-H455 AromaticContact CE2-CE1 3.67Å; Y381-H455 AromaticContact CE2-ND1 3.21Å; Y381-H455 WeakPolarHBondContact CE2-ND1 3.21Å; Y381-H455 AromaticContact CZ-ND1 3.41Å; Y381-H455 PolarHBondContact OH-ND1 3.1Å; I448-H455 HydrophobicContact CG2-CB 4.27Å; S450-H455 WeakPolarHBondContact CB-ND1 3.28Å; S452-H455 PolarHBondContact O-N 2.78Å; S452-H455 PolarHBondContact OG-CD2 2.78Å; E453-H455 PolarHBondContact O-N 3.25Å; H455-L458 PolarHBondContact O-N 3.06Å; H455-F459 WeakPolarHBondContact O-CD2 3.27Å; H455-F459 PolarHBondContact O-N 3.37Å; H455-F459 VanDerWaalsContact O-N 3.12Å
456	R	97.4	Very high	96.5	Very high	138 Å²	138	59 Å²	59	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.4	-56	-166.1	-48.5	141	4.9	111.1	S452 E453 F459 D460	S452-R456 PolarHBondContact O-N 2.92Å; E453-R456 PolarHBondContact O-N 3.37Å; E453-R456 IonicContact OE1-CZ 2.93Å; E453-R456 IonicContact OE1-NE 3.64Å; E453-R456 IonicContact OE1-NH2 2.94Å; E453-R456 PolarHBondContact OE1-NH2 3.1Å; E453-R456 IonicContact OE2-CZ 3.08Å; E453-R456 IonicContact OE2-NE 3.03Å; E453-R456 PolarHBondContact OE2-NE 2.97Å; E453-R456 IonicContact OE2-NH2 2.8Å; E453-R456 PolarHBondContact OE2-NH2 3.07Å; R456-F459 PolarHBondContact O-N 2.95Å; R456-D460 WeakPolarHBondContact O-CB 3.29Å; R456-D460 PolarHBondContact O-N 3.45Å
457	L	98.1	Very high	96.6	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-35.2	179.3	-68.6	178.8	0	0	0	112.7	E453 L461 H482 P483 F484	E453-L457 HydrophobicContact CG-CD1 3.87Å; E453-L457 HydrophobicContact CG-CG 4.1Å; E453-L457 WeakPolarHBondContact O-CG 3.2Å; E453-L457 PolarHBondContact O-N 2.68Å; L457-L461 PolarHBondContact O-N 2.86Å; L457-H482 PolarHBondContact O-CE1 3.04Å; L457-H482 VanDerWaalsContact O-CE1 3.23Å; L457-P483 HydrophobicContact CD1-CB 4.26Å; L457-P483 HydrophobicContact CD2-CB 4.03Å; L457-F484 HydrophobicContact CB-CB 4.01Å; L457-F484 HydrophobicContact CB-CD2 3.97Å; L457-F484 HydrophobicContact CB-CG 4.45Å
458	L	98.6	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-48	171.9	174.7	60.1	0	0	0	111	V270 I273 L377 Y381 D454 H455 D460 L461 I462 F484	V270-L458 HydrophobicContact CG2-CD2 4.11Å; I273-L458 HydrophobicContact CD1-CD2 4.45Å; I273-L458 HydrophobicContact CG2-CD1 4.11Å; I273-L458 HydrophobicContact CG2-CD2 4.07Å; L377-L458 HydrophobicContact CB-CD1 4.5Å; L377-L458 HydrophobicContact CD1-CD1 4.41Å; Y381-L458 HydrophobicContact CD2-CD2 3.6Å; Y381-L458 HydrophobicContact CE2-CD2 4.2Å; Y381-L458 HydrophobicContact CG-CD2 4.25Å; D454-L458 WeakPolarHBondContact O-CB 3.24Å; D454-L458 PolarHBondContact O-N 2.63Å; H455-L458 PolarHBondContact O-N 3.06Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 2.98Å; L458-L461 WeakPolarHBondContact O-CB 3.47Å; L458-L461 PolarHBondContact O-N 3.24Å; L458-I462 HydrophobicContact CD1-CD1 3.85Å; L458-I462 HydrophobicContact CD1-CG1 4.23Å; L458-I462 HydrophobicContact CG-CD1 3.81Å; L458-I462 WeakPolarHBondContact O-CG1 3.41Å; L458-I462 PolarHBondContact O-N 2.87Å; L458-F484 HydrophobicContact CB-CD2 4.18Å; L458-F484 HydrophobicContact CB-CE2 3.74Å; L458-F484 HydrophobicContact CB-CZ 3.95Å; L458-F484 HydrophobicContact CD1-CE1 3.86Å; L458-F484 HydrophobicContact CD1-CE2 4.48Å; L458-F484 HydrophobicContact CD1-CZ 3.83Å; L458-F484 HydrophobicContact CG-CZ 4.34Å
459	F	98.5	Very high	96.8	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-33.6	-179.2	-88.7	-104.5	0	0	0	112.9	I378 Y381 L444 I448 H455 R456 L461 I462 E463	I378-F459 HydrophobicContact CD1-CE1 4.41Å; Y381-F459 AromaticContact CD1-CE2 3.65Å; Y381-F459 HydrophobicContact CD1-CE2 3.65Å; Y381-F459 AromaticContact CD1-CZ 3.75Å; Y381-F459 HydrophobicContact CD1-CZ 3.75Å; Y381-F459 HydrophobicContact CD2-CE2 4.28Å; Y381-F459 AromaticContact CE1-CE2 3.41Å; Y381-F459 HydrophobicContact CE1-CE2 3.41Å; Y381-F459 VanDerWaalsContact CE1-CE2 3.41Å; Y381-F459 AromaticContact CE1-CZ 3.62Å; Y381-F459 HydrophobicContact CE1-CZ 3.62Å; Y381-F459 HydrophobicContact CE2-CE2 4.05Å; Y381-F459 HydrophobicContact CG-CE2 4.06Å; Y381-F459 AromaticContact CZ-CE2 3.59Å; L444-F459 HydrophobicContact CD1-CD1 4.09Å; L444-F459 HydrophobicContact CD1-CE1 3.95Å; L444-F459 HydrophobicContact CG-CD1 4.01Å; L444-F459 HydrophobicContact CG-CE1 4.3Å; L444-F459 VanDerWaalsContact O-CE1 3.27Å; L444-F459 WeakPolarHBondContact O-CE1 3.41Å; I448-F459 HydrophobicContact CD1-CB 3.87Å; I448-F459 HydrophobicContact CD1-CD1 4Å; I448-F459 HydrophobicContact CD1-CD2 4.25Å; I448-F459 HydrophobicContact CD1-CG 3.75Å; I448-F459 HydrophobicContact CG1-CB 4.16Å; I448-F459 HydrophobicContact CG1-CD1 3.56Å; I448-F459 HydrophobicContact CG1-CD2 3.64Å; I448-F459 HydrophobicContact CG1-CE1 3.79Å; I448-F459 HydrophobicContact CG1-CE2 3.85Å; I448-F459 HydrophobicContact CG1-CG 3.47Å; I448-F459 VanDerWaalsContact CG1-CG 3.47Å; I448-F459 HydrophobicContact CG1-CZ 3.91Å; H455-F459 WeakPolarHBondContact O-CD2 3.27Å; H455-F459 PolarHBondContact O-N 3.37Å; H455-F459 VanDerWaalsContact O-N 3.12Å; R456-F459 PolarHBondContact O-N 2.95Å; F459-L461 VanDerWaalsContact C-N 3.35Å; F459-I462 PolarHBondContact O-N 3.39Å; F459-E463 VanDerWaalsContact O-CB 3.31Å; F459-E463 WeakPolarHBondContact O-CB 3.04Å; F459-E463 PolarHBondContact O-N 2.93Å
460	D	98.5	Very high	97.1	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-39.2	172.1	-177.4	55.4	0	0	0	112	R456 L458 K464 H482	R456-D460 WeakPolarHBondContact O-CB 3.29Å; R456-D460 PolarHBondContact O-N 3.45Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 2.98Å; D460-K464 WeakPolarHBondContact O-CG 3.35Å; D460-K464 PolarHBondContact O-N 2.79Å; D460-K464 IonicContact OD1-NZ 3.3Å; D460-K464 PolarHBondContact OD1-NZ 3.01Å; D460-K464 IonicContact OD2-NZ 3.79Å; D460-K464 PolarHBondContact OD2-NZ 3.03Å; D460-H482 IonicContact OD2-CE1 2.67Å; D460-H482 PolarHBondContact OD2-CE1 3.45Å; D460-H482 IonicContact OD2-NE2 2.65Å; D460-H482 PolarHBondContact OD2-NE2 3.08Å
461	L	98.8	Very high	97.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-47.5	172.4	-179.7	63.2	0	0	0	111.5	I281 L377 L457 L458 F459 K464 M465 L474 A479 H482 F484 F485	I281-L461 HydrophobicContact CD1-CD2 4.47Å; L377-L461 HydrophobicContact CD1-CD2 4.39Å; L457-L461 PolarHBondContact O-N 2.86Å; L458-L461 WeakPolarHBondContact O-CB 3.47Å; L458-L461 PolarHBondContact O-N 3.24Å; F459-L461 VanDerWaalsContact C-N 3.35Å; L461-K464 PolarHBondContact O-N 3.37Å; L461-M465 HydrophobicContact CD1-CE 3.98Å; L461-M465 HydrophobicContact CD2-CE 4.3Å; L461-M465 HydrophobicContact CG-CE 4.06Å; L461-M465 HydrophobicContact CG-SD 4.2Å; L461-M465 WeakPolarHBondContact O-CG 3.46Å; L461-M465 PolarHBondContact O-N 3Å; L461-L474 HydrophobicContact CD1-CD2 3.56Å; L461-A479 HydrophobicContact CD1-CB 4.14Å; L461-H482 HydrophobicContact CD1-CB 3.95Å; L461-F484 HydrophobicContact CD2-CD1 3.88Å; L461-F485 HydrophobicContact CD2-CE2 3.71Å; L461-F485 HydrophobicContact CD2-CZ 3.76Å
462	I	98.8	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-45.8	179.5	-68.2	165.8	0	0	0	110.8	L377 I378 L444 L458 F459 K464 M465 M466	L377-I462 HydrophobicContact CB-CD1 3.98Å; L377-I462 HydrophobicContact CB-CG1 3.97Å; L377-I462 HydrophobicContact CD1-CG1 4.45Å; I378-I462 HydrophobicContact CB-CD1 4.19Å; L444-I462 HydrophobicContact CD1-CG2 4.39Å; L444-I462 HydrophobicContact CD2-CG2 4.28Å; L458-I462 HydrophobicContact CD1-CD1 3.85Å; L458-I462 HydrophobicContact CD1-CG1 4.23Å; L458-I462 HydrophobicContact CG-CD1 3.81Å; L458-I462 WeakPolarHBondContact O-CG1 3.41Å; L458-I462 PolarHBondContact O-N 2.87Å; F459-I462 PolarHBondContact O-N 3.39Å; I462-K464 VanDerWaalsContact C-N 3.28Å; I462-K464 PolarHBondContact O-N 2.84Å; I462-M465 PolarHBondContact O-N 3.14Å; I462-M465 VanDerWaalsContact O-N 3.11Å; I462-M466 HydrophobicContact CG2-CG 4.17Å; I462-M466 HydrophobicContact CG2-SD 3.62Å; I462-M466 WeakPolarHBondContact O-CB 3.49Å; I462-M466 WeakPolarHBondContact O-CG 3.47Å; I462-M466 PolarHBondContact O-N 3.28Å
463	E	98.4	Very high	98	Very high	76 Å²	76	45.1 Å²	45.1	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-56.3	-43.4	177.8	-172.7	170.6	-149	0	0	110.9	L444 K445 F459 M466 E467	L444-E463 HydrophobicContact CD2-CB 3.9Å; L444-E463 HydrophobicContact CD2-CG 4.35Å; K445-E463 VanDerWaalsContact CE-OE1 3.31Å; K445-E463 WeakPolarHBondContact CE-OE1 3.4Å; K445-E463 WeakPolarHBondContact CE-OE2 3.46Å; K445-E463 IonicContact NZ-OE1 3.91Å; K445-E463 PolarHBondContact NZ-OE1 2.81Å; K445-E463 IonicContact NZ-OE2 3.71Å; K445-E463 PolarHBondContact NZ-OE2 3.47Å; F459-E463 VanDerWaalsContact O-CB 3.31Å; F459-E463 WeakPolarHBondContact O-CB 3.04Å; F459-E463 PolarHBondContact O-N 2.93Å; E463-M466 CarbonylContact O-C 3.52Å; E463-M466 PolarHBondContact O-N 3.07Å; E463-E467 PolarHBondContact O-N 2.81Å
464	K	98.7	Very high	98.1	Very high	81 Å²	81	41.9 Å²	41.9	35%	0.352	21%	0.205	S	C	.	.	H	α-helix	trans	-70.8	-31.5	176.6	-69.3	-178.2	178.4	81.2	0	114.1	D460 L461 I462 M466 L474	D460-K464 WeakPolarHBondContact O-CG 3.35Å; D460-K464 PolarHBondContact O-N 2.79Å; D460-K464 IonicContact OD1-NZ 3.3Å; D460-K464 PolarHBondContact OD1-NZ 3.01Å; D460-K464 IonicContact OD2-NZ 3.79Å; D460-K464 PolarHBondContact OD2-NZ 3.03Å; L461-K464 PolarHBondContact O-N 3.37Å; I462-K464 VanDerWaalsContact C-N 3.28Å; I462-K464 PolarHBondContact O-N 2.84Å; K464-M466 VanDerWaalsContact C-N 3.33Å; K464-L474 HydrophobicContact CB-CB 4.02Å; K464-L474 HydrophobicContact CB-CD1 4.5Å; K464-L474 HydrophobicContact CB-CD2 3.95Å; K464-L474 HydrophobicContact CB-CG 4.4Å; K464-L474 HydrophobicContact CD-CD1 4.34Å; K464-L474 WeakPolarHBondContact O-CB 3.41Å; K464-L474 PolarHBondContact O-N 3.37Å
465	M	98.8	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.5	-28.8	173.4	-74	-179.7	164.2	0	0	112.2	I281 V370 I373 L377 L461 I462 R473 L474 A479	I281-M465 HydrophobicContact CD1-CE 3.53Å; I281-M465 HydrophobicContact CG1-CE 3.88Å; V370-M465 HydrophobicContact CG1-CB 3.98Å; V370-M465 HydrophobicContact CG1-CG 3.84Å; I373-M465 HydrophobicContact CB-SD 4.45Å; I373-M465 HydrophobicContact CG2-CE 3.98Å; I373-M465 HydrophobicContact CG2-SD 3.87Å; L377-M465 HydrophobicContact CD1-SD 4.09Å; L461-M465 HydrophobicContact CD1-CE 3.98Å; L461-M465 HydrophobicContact CD2-CE 4.3Å; L461-M465 HydrophobicContact CG-CE 4.06Å; L461-M465 HydrophobicContact CG-SD 4.2Å; L461-M465 WeakPolarHBondContact O-CG 3.46Å; L461-M465 PolarHBondContact O-N 3Å; I462-M465 PolarHBondContact O-N 3.14Å; I462-M465 VanDerWaalsContact O-N 3.11Å; M465-R473 WeakPolarHBondContact O-CD 3.42Å; M465-R473 VanDerWaalsContact O-CG 3.24Å; M465-R473 WeakPolarHBondContact O-CG 2.9Å; M465-L474 HydrophobicContact CG-CD2 4.28Å; M465-A479 HydrophobicContact CE-CB 3.95Å
466	M	98.5	Very high	98.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	28.3	-179.1	-61.2	-174.4	79.7	0	0	112.9	W371 L386 F387 L403 I462 E463 K464	W371-M466 HydrophobicContact CE3-CB 4.21Å; W371-M466 HydrophobicContact CH2-CB 4.44Å; W371-M466 HydrophobicContact CH2-CE 4.24Å; W371-M466 HydrophobicContact CZ2-CE 3.88Å; W371-M466 HydrophobicContact CZ3-CB 4.03Å; W371-M466 WeakPolarHBondContact CZ3-O 3.44Å; L386-M466 HydrophobicContact CD2-CE 3.76Å; L386-M466 HydrophobicContact CD2-SD 4.27Å; F387-M466 HydrophobicContact CE2-CE 3.45Å; F387-M466 VanDerWaalsContact CE2-CE 3.45Å; F387-M466 HydrophobicContact CZ-CE 3.7Å; L403-M466 HydrophobicContact CD1-CB 4.07Å; L403-M466 HydrophobicContact CD1-CE 4.1Å; L403-M466 HydrophobicContact CD2-CB 4.03Å; L403-M466 HydrophobicContact CD2-CE 4.48Å; L403-M466 HydrophobicContact CD2-SD 4.37Å; I462-M466 HydrophobicContact CG2-CG 4.17Å; I462-M466 HydrophobicContact CG2-SD 3.62Å; I462-M466 WeakPolarHBondContact O-CB 3.49Å; I462-M466 WeakPolarHBondContact O-CG 3.47Å; I462-M466 PolarHBondContact O-N 3.28Å; E463-M466 CarbonylContact O-C 3.52Å; E463-M466 PolarHBondContact O-N 3.07Å; K464-M466 VanDerWaalsContact C-N 3.33Å
467	E	98.6	Very high	98.2	Very high	69 Å²	69	37.7 Å²	37.7	32%	0.322	20%	0.195	S	C	.	.			trans	-66.6	132.3	169.4	175.9	55.4	-122.9	0	0	110	E463 D469 K472 R473	E463-E467 PolarHBondContact O-N 2.81Å; E467-D469 PolarHBondContact OE1-N 3.05Å; E467-K472 HydrophobicContact CG-CB 3.82Å; E467-R473 HydrophobicContact CB-CB 4.13Å; E467-R473 HydrophobicContact CB-CG 4.29Å; E467-R473 PolarHBondContact O-NE 3.42Å; E467-R473 PolarHBondContact O-NH2 3.47Å
468	Y	98.6	Very high	98.2	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.047	21%	0.211	C	C	.	.	S	Bend	trans	-65.1	-44.3	-175.9	-77.3	-70	0	0	0	112.4	P356 W371 M399 E400 L403 G404 I406 P407 P470 R473	P356-Y468 HydrophobicContact CB-CD1 3.96Å; P356-Y468 HydrophobicContact CB-CE1 4.48Å; P356-Y468 HydrophobicContact CG-CD1 3.83Å; W371-Y468 HydrophobicContact CH2-CD1 4.44Å; W371-Y468 HydrophobicContact CH2-CE1 4.35Å; M399-Y468 HydrophobicContact CB-CE1 3.92Å; M399-Y468 WeakPolarHBondContact CB-OH 3.22Å; M399-Y468 PolarHBondContact O-OH 2.94Å; M399-Y468 HydrophobicContact SD-CE1 4.29Å; E400-Y468 WeakPolarHBondContact CA-OH 3.41Å; E400-Y468 PolarHBondContact N-OH 2.99Å; L403-Y468 HydrophobicContact CB-CE2 3.96Å; L403-Y468 HydrophobicContact CD1-CE1 4.46Å; G404-Y468 WeakPolarHBondContact O-CE2 3.5Å; G404-Y468 PolarHBondContact O-OH 3.26Å; I406-Y468 HydrophobicContact CG1-CD1 4.15Å; I406-Y468 HydrophobicContact CG1-CE1 3.61Å; I406-Y468 HydrophobicContact CG1-CE2 4.46Å; P407-Y468 HydrophobicContact CG-CD2 4.37Å; P407-Y468 HydrophobicContact CG-CG 4.47Å; Y468-P470 VanDerWaalsContact O-CD 3.24Å; Y468-P470 WeakPolarHBondContact O-CD 3.3Å; Y468-R473 PolarHBondContact O-NH2 2.92Å
469	D	98.1	Very high	98.2	Very high	18 Å²	18	41.3 Å²	41.3	10%	0.096	21%	0.211	C	C	.	.	S	Bend	trans	-77.3	111.4	-179.4	-171.6	-23.8	0	0	0	109.4	E467 S471 K472 R473	E467-D469 PolarHBondContact OE1-N 3.05Å; D469-S471 VanDerWaalsContact CG-OG 3.24Å; D469-S471 PolarHBondContact O-N 2.84Å; D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.85Å; D469-S471 PolarHBondContact OD1-OG 3.32Å; D469-S471 PolarHBondContact OD2-OG 2.93Å; D469-K472 HydrophobicContact CB-CB 4.22Å; D469-K472 HydrophobicContact CB-CD 4.08Å; D469-K472 HydrophobicContact CB-CG 4.12Å; D469-K472 PolarHBondContact O-N 2.94Å; D469-R473 PolarHBondContact O-N 2.93Å
470	P	97.6	Very high	98.1	Very high	35 Å²	35	41.5 Å²	41.5	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.2	-177.4	24	-34.1	0	0	0	113	E357 S367 Y468 K472	E357-P470 HydrophobicContact CB-CG 4.31Å; E357-P470 HydrophobicContact CG-CG 4.32Å; S367-P470 WeakPolarHBondContact OG-CB 3.47Å; Y468-P470 VanDerWaalsContact O-CD 3.24Å; Y468-P470 WeakPolarHBondContact O-CD 3.3Å; P470-K472 VanDerWaalsContact C-N 3.34Å
471	S	97	Very high	98.1	Very high	99 Å²	99	47 Å²	47	69%	0.692	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-21	177.1	71	0	0	0	0	114	D469	D469-S471 VanDerWaalsContact CG-OG 3.24Å; D469-S471 PolarHBondContact O-N 2.84Å; D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.85Å; D469-S471 PolarHBondContact OD1-OG 3.32Å; D469-S471 PolarHBondContact OD2-OG 2.93Å
472	K	97.8	Very high	98.1	Very high	146 Å²	146	47.6 Å²	47.6	64%	0.635	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.9	177.3	-60.1	-179.7	-172.2	173.1	0	112.5	E467 D469 P470	E467-K472 HydrophobicContact CG-CB 3.82Å; D469-K472 HydrophobicContact CB-CB 4.22Å; D469-K472 HydrophobicContact CB-CD 4.08Å; D469-K472 HydrophobicContact CB-CG 4.12Å; D469-K472 PolarHBondContact O-N 2.94Å; P470-K472 VanDerWaalsContact C-N 3.34Å
473	R	98.4	Very high	98	Very high	14 Å²	14	50.5 Å²	50.5	5%	0.053	25%	0.251	C	S	.	.	S	Bend	trans	-60.6	139.7	179.3	-166.7	178.3	-64.2	152.1	8.2	111.1	E357 S367 V370 M465 E467 Y468 D469 S475	E357-R473 IonicContact OE1-CZ 3.27Å; E357-R473 IonicContact OE1-NH1 2.59Å; E357-R473 PolarHBondContact OE1-NH1 2.82Å; E357-R473 IonicContact OE1-NH2 2.77Å; E357-R473 PolarHBondContact OE1-NH2 2.8Å; E357-R473 IonicContact OE2-CZ 2.8Å; E357-R473 IonicContact OE2-NH1 3.66Å; E357-R473 PolarHBondContact OE2-NH1 2.9Å; E357-R473 IonicContact OE2-NH2 3.54Å; E357-R473 PolarHBondContact OE2-NH2 3.45Å; S367-R473 WeakPolarHBondContact O-CD 3.09Å; S367-R473 PolarHBondContact O-NH1 2.84Å; V370-R473 HydrophobicContact CB-CG 4.4Å; V370-R473 HydrophobicContact CG1-CG 4.05Å; M465-R473 WeakPolarHBondContact O-CD 3.42Å; M465-R473 VanDerWaalsContact O-CG 3.24Å; M465-R473 WeakPolarHBondContact O-CG 2.9Å; E467-R473 HydrophobicContact CB-CB 4.13Å; E467-R473 HydrophobicContact CB-CG 4.29Å; E467-R473 PolarHBondContact O-NE 3.42Å; E467-R473 PolarHBondContact O-NH2 3.47Å; Y468-R473 PolarHBondContact O-NH2 2.92Å; D469-R473 PolarHBondContact O-N 2.93Å; R473-S475 PolarHBondContact O-N 2.95Å
474	L	97.6	Very high	98	Very high	22 Å²	22	47 Å²	47	12%	0.115	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-54.6	125	-177.3	-171.5	68.6	0	0	0	111.5	V370 L461 K464 M465 Q478 A479	V370-L474 VanDerWaalsContact CG1-O 3.3Å; V370-L474 WeakPolarHBondContact CG1-O 3.4Å; L461-L474 HydrophobicContact CD1-CD2 3.56Å; K464-L474 HydrophobicContact CB-CB 4.02Å; K464-L474 HydrophobicContact CB-CD1 4.5Å; K464-L474 HydrophobicContact CB-CD2 3.95Å; K464-L474 HydrophobicContact CB-CG 4.4Å; K464-L474 HydrophobicContact CD-CD1 4.34Å; K464-L474 WeakPolarHBondContact O-CB 3.41Å; K464-L474 PolarHBondContact O-N 3.37Å; M465-L474 HydrophobicContact CG-CD2 4.28Å; L474-Q478 HydrophobicContact CD1-CB 3.51Å; L474-Q478 HydrophobicContact CG-CB 4.23Å; L474-A479 HydrophobicContact CD2-CB 3.72Å; L474-A479 HydrophobicContact CG-CB 4.2Å
475	S	97.9	Very high	98	Very high	50 Å²	50	43.1 Å²	43.1	35%	0.35	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-72.1	151.9	170.6	67.8	0	0	0	0	111.1	R473 E477 Q478 A479	R473-S475 PolarHBondContact O-N 2.95Å; S475-E477 PolarHBondContact O-N 3.32Å; S475-Q478 WeakPolarHBondContact O-CB 3.08Å; S475-Q478 PolarHBondContact O-N 3.01Å; S475-Q478 VanDerWaalsContact OG-CG 3.26Å; S475-Q478 WeakPolarHBondContact OG-CG 3.44Å; S475-Q478 PolarHBondContact OG-N 3Å; S475-Q478 PolarHBondContact OG-OE1 2.85Å; S475-A479 PolarHBondContact O-N 2.77Å
476	L	98.1	Very high	97.7	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-25.4	178.3	-60.5	-180	0	0	0	113	I281 V284 K285 H288 V370 I373 A479 L480	I281-L476 HydrophobicContact CG1-CD2 4.42Å; I281-L476 HydrophobicContact CG2-CB 4.02Å; I281-L476 HydrophobicContact CG2-CD2 4.02Å; V284-L476 HydrophobicContact CB-CD1 3.67Å; V284-L476 HydrophobicContact CG1-CD1 3.5Å; K285-L476 HydrophobicContact CB-CB 3.84Å; K285-L476 HydrophobicContact CB-CD1 4.15Å; K285-L476 HydrophobicContact CG-CB 4.33Å; K285-L476 VanDerWaalsContact N-CD1 3.33Å; H288-L476 WeakPolarHBondContact ND1-CD1 3.44Å; V370-L476 HydrophobicContact CG1-CD2 4.43Å; V370-L476 HydrophobicContact CG2-CD2 3.91Å; V370-L476 HydrophobicContact CG2-CG 4.04Å; I373-L476 HydrophobicContact CD1-CD2 3.91Å; L476-A479 PolarHBondContact O-N 3.2Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.75Å; L476-L480 VanDerWaalsContact O-N 3.11Å
477	E	96.9	Very high	97.3	Very high	70 Å²	70	48.9 Å²	48.9	33%	0.327	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-46.2	170.3	-177.7	64.5	-140.5	0	0	111.5	K285 S475 R481	K285-E477 WeakPolarHBondContact CE-OE2 3.39Å; K285-E477 IonicContact NZ-OE1 2.82Å; K285-E477 IonicContact NZ-OE2 2.71Å; K285-E477 PolarHBondContact NZ-OE2 3.36Å; S475-E477 PolarHBondContact O-N 3.32Å; E477-R481 IonicContact OE1-CZ 3.94Å; E477-R481 VanDerWaalsContact OE1-CZ 3.3Å; E477-R481 IonicContact OE1-NE 2.65Å; E477-R481 PolarHBondContact OE1-NE 3.14Å; E477-R481 IonicContact OE1-NH2 3.73Å; E477-R481 PolarHBondContact OE1-NH2 2.92Å
478	Q	97.8	Very high	96.6	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-38.3	176.1	-68.9	162.2	-43.3	0	0	111	L474 S475 L480 R481 H482	L474-Q478 HydrophobicContact CD1-CB 3.51Å; L474-Q478 HydrophobicContact CG-CB 4.23Å; S475-Q478 WeakPolarHBondContact O-CB 3.08Å; S475-Q478 PolarHBondContact O-N 3.01Å; S475-Q478 VanDerWaalsContact OG-CG 3.26Å; S475-Q478 WeakPolarHBondContact OG-CG 3.44Å; S475-Q478 PolarHBondContact OG-N 3Å; S475-Q478 PolarHBondContact OG-OE1 2.85Å; Q478-L480 VanDerWaalsContact C-N 3.34Å; Q478-L480 PolarHBondContact O-N 3.03Å; Q478-R481 PolarHBondContact O-N 2.93Å; Q478-H482 PolarHBondContact O-N 3.36Å
479	A	98.4	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-41.8	177.9	0	0	0	0	0	112.5	I281 L461 M465 L474 S475 L476 R481 H482 F485	I281-A479 HydrophobicContact CD1-CB 4.25Å; I281-A479 HydrophobicContact CG2-CB 4.07Å; L461-A479 HydrophobicContact CD1-CB 4.14Å; M465-A479 HydrophobicContact CE-CB 3.95Å; L474-A479 HydrophobicContact CD2-CB 3.72Å; L474-A479 HydrophobicContact CG-CB 4.2Å; S475-A479 PolarHBondContact O-N 2.77Å; L476-A479 PolarHBondContact O-N 3.2Å; A479-R481 PolarHBondContact O-N 3.03Å; A479-H482 WeakPolarHBondContact O-CB 3.43Å; A479-H482 PolarHBondContact O-N 3.36Å; A479-F485 VanDerWaalsContact O-CD2 3.23Å; A479-F485 WeakPolarHBondContact O-CD2 3.25Å; A479-F485 VanDerWaalsContact O-CE2 3.29Å; A479-F485 WeakPolarHBondContact O-CE2 3.4Å
480	L	97.6	Very high	94.3	Very high	11 Å²	11	58 Å²	58	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-20.5	177	-70.8	173.8	0	0	0	114	Y278 I281 R282 K285 L476 Q478 Y489	Y278-L480 HydrophobicContact CD2-CD2 3.8Å; Y278-L480 HydrophobicContact CE2-CD2 3.76Å; I281-L480 HydrophobicContact CB-CD2 4.01Å; I281-L480 HydrophobicContact CG2-CD1 4.35Å; I281-L480 HydrophobicContact CG2-CD2 3.51Å; I281-L480 HydrophobicContact CG2-CG 3.55Å; R282-L480 HydrophobicContact CG-CD1 3.95Å; R282-L480 HydrophobicContact CG-CD2 3.72Å; K285-L480 HydrophobicContact CD-CD1 3.61Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.75Å; L476-L480 VanDerWaalsContact O-N 3.11Å; Q478-L480 VanDerWaalsContact C-N 3.34Å; Q478-L480 PolarHBondContact O-N 3.03Å; L480-Y489 WeakPolarHBondContact O-CE2 3.3Å; L480-Y489 PolarHBondContact O-OH 3.39Å
481	R	97.4	Very high	92.3	Very high	169 Å²	169	59.3 Å²	59.3	64%	0.638	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	2.4	176	-59.5	176.7	-168.1	171.5	0.4	112.5	E477 Q478 A479	E477-R481 IonicContact OE1-CZ 3.94Å; E477-R481 VanDerWaalsContact OE1-CZ 3.3Å; E477-R481 IonicContact OE1-NE 2.65Å; E477-R481 PolarHBondContact OE1-NE 3.14Å; E477-R481 IonicContact OE1-NH2 3.73Å; E477-R481 PolarHBondContact OE1-NH2 2.92Å; Q478-R481 PolarHBondContact O-N 2.93Å; A479-R481 PolarHBondContact O-N 3.03Å
482	H	98.4	Very high	90.1	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.056	29%	0.286	C	S	.	.	S	Bend	trans	-65.1	141.8	180	-165.7	-95.3	0	0	0	111	L457 D460 L461 Q478 A479 F484 F485	L457-H482 PolarHBondContact O-CE1 3.04Å; L457-H482 VanDerWaalsContact O-CE1 3.23Å; D460-H482 IonicContact OD2-CE1 2.67Å; D460-H482 PolarHBondContact OD2-CE1 3.45Å; D460-H482 IonicContact OD2-NE2 2.65Å; D460-H482 PolarHBondContact OD2-NE2 3.08Å; L461-H482 HydrophobicContact CD1-CB 3.95Å; Q478-H482 PolarHBondContact O-N 3.36Å; A479-H482 WeakPolarHBondContact O-CB 3.43Å; A479-H482 PolarHBondContact O-N 3.36Å; H482-F484 WeakPolarHBondContact ND1-CB 3.43Å; H482-F484 PolarHBondContact ND1-N 3.35Å; H482-F484 PolarHBondContact O-N 3.34Å; H482-F485 HydrophobicContact CB-CD2 4.28Å; H482-F485 PolarHBondContact O-N 2.87Å
483	P	97.8	Very high	87.8	Confident	61 Å²	61	54.4 Å²	54.4	40%	0.396	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.2	-21.7	-178.6	-26.5	34.3	0	0	0	114.7	L457 F485 D486	L457-P483 HydrophobicContact CD1-CB 4.26Å; L457-P483 HydrophobicContact CD2-CB 4.03Å; P483-F485 PolarHBondContact O-N 3.49Å; P483-F485 VanDerWaalsContact O-N 3.11Å; P483-D486 WeakPolarHBondContact CA-OD1 3.07Å; P483-D486 WeakPolarHBondContact O-CB 3.41Å; P483-D486 PolarHBondContact O-N 3.39Å; P483-D486 VanDerWaalsContact O-N 3.1Å
484	F	98	Very high	85.4	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.013	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-55.5	-26.5	172.7	-175.7	-122.6	0	0	0	113.2	V270 R274 D454 L457 L458 L461 H482	V270-F484 HydrophobicContact CG2-CE2 4.31Å; R274-F484 HydrophobicContact CB-CE1 3.71Å; R274-F484 HydrophobicContact CB-CE2 4.16Å; R274-F484 HydrophobicContact CB-CZ 3.44Å; R274-F484 VanDerWaalsContact CB-CZ 3.44Å; R274-F484 WeakPolarHBondContact CD-O 3.4Å; R274-F484 HydrophobicContact CG-CD1 4.14Å; R274-F484 HydrophobicContact CG-CE1 3.73Å; R274-F484 HydrophobicContact CG-CE2 4.31Å; R274-F484 HydrophobicContact CG-CZ 3.82Å; R274-F484 PolarHBondContact NE-O 3.4Å; D454-F484 WeakPolarHBondContact O-CE2 3.49Å; L457-F484 HydrophobicContact CB-CB 4.01Å; L457-F484 HydrophobicContact CB-CD2 3.97Å; L457-F484 HydrophobicContact CB-CG 4.45Å; L458-F484 HydrophobicContact CB-CD2 4.18Å; L458-F484 HydrophobicContact CB-CE2 3.74Å; L458-F484 HydrophobicContact CB-CZ 3.95Å; L458-F484 HydrophobicContact CD1-CE1 3.86Å; L458-F484 HydrophobicContact CD1-CE2 4.48Å; L458-F484 HydrophobicContact CD1-CZ 3.83Å; L458-F484 HydrophobicContact CG-CZ 4.34Å; L461-F484 HydrophobicContact CD2-CD1 3.88Å; H482-F484 WeakPolarHBondContact ND1-CB 3.43Å; H482-F484 PolarHBondContact ND1-N 3.35Å; H482-F484 PolarHBondContact O-N 3.34Å
485	F	97.8	Very high	83	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-102.7	7.7	-179.8	-57.7	-60	0	0	0	114.2	R274 A277 Y278 I281 L461 A479 H482 P483 C487 Y488 Y489	R274-F485 HydrophobicContact CG-CD1 3.85Å; R274-F485 HydrophobicContact CG-CE1 4.03Å; R274-F485 WeakPolarHBondContact O-CE1 3.04Å; A277-F485 HydrophobicContact CB-CE1 4.04Å; A277-F485 HydrophobicContact CB-CZ 3.95Å; Y278-F485 HydrophobicContact CD2-CB 4.2Å; Y278-F485 AromaticContact CD2-CD1 3.81Å; Y278-F485 HydrophobicContact CD2-CD1 3.81Å; Y278-F485 HydrophobicContact CD2-CD2 4.49Å; Y278-F485 HydrophobicContact CD2-CE1 4.31Å; Y278-F485 AromaticContact CD2-CG 3.91Å; Y278-F485 HydrophobicContact CD2-CG 3.91Å; Y278-F485 HydrophobicContact CG-CD1 4.34Å; I281-F485 HydrophobicContact CD1-CE2 3.71Å; I281-F485 HydrophobicContact CD1-CZ 3.57Å; L461-F485 HydrophobicContact CD2-CE2 3.71Å; L461-F485 HydrophobicContact CD2-CZ 3.76Å; A479-F485 VanDerWaalsContact O-CD2 3.23Å; A479-F485 WeakPolarHBondContact O-CD2 3.25Å; A479-F485 VanDerWaalsContact O-CE2 3.29Å; A479-F485 WeakPolarHBondContact O-CE2 3.4Å; H482-F485 HydrophobicContact CB-CD2 4.28Å; H482-F485 PolarHBondContact O-N 2.87Å; P483-F485 PolarHBondContact O-N 3.49Å; P483-F485 VanDerWaalsContact O-N 3.11Å; F485-C487 PolarHBondContact O-N 2.74Å; F485-Y488 HydrophobicContact CB-CD2 4.19Å; F485-Y488 HydrophobicContact CD1-CD2 4.4Å; F485-Y488 HydrophobicContact CD1-CE2 4.25Å; F485-Y488 WeakPolarHBondContact O-CD2 3.25Å; F485-Y488 PolarHBondContact O-N 3.43Å; F485-Y489 HydrophobicContact CB-CE2 4.37Å
486	D	93.8	Very high	80.5	Confident	59 Å²	59	72.6 Å²	72.6	32%	0.316	36%	0.358	S	S	.	.	H	α-helix	trans	-51.9	-32.6	-178.1	-93.9	13.9	0	0	0	114.4	P483 Y488 Y489 K490	P483-D486 WeakPolarHBondContact CA-OD1 3.07Å; P483-D486 WeakPolarHBondContact O-CB 3.41Å; P483-D486 PolarHBondContact O-N 3.39Å; P483-D486 VanDerWaalsContact O-N 3.1Å; D486-Y488 PolarHBondContact O-N 3.43Å; D486-Y489 PolarHBondContact O-N 3.03Å; D486-K490 HydrophobicContact CB-CD 4.44Å; D486-K490 WeakPolarHBondContact O-CG 3.49Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 IonicContact OD2-NZ 2.69Å; D486-K490 PolarHBondContact OD2-NZ 2.9Å; D486-K490 VanDerWaalsContact OD2-NZ 3.11Å
487	C	88.8	Confident	78	Confident	64 Å²	64	76.9 Å²	76.9	43%	0.432	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-26.6	-179.6	60.6	0	0	0	0	113.2	R274 F485	R274-C487 WeakPolarHBondContact CD-SG 3.48Å; F485-C487 PolarHBondContact O-N 2.74Å
488	Y	84.5	Confident	75.4	Confident	64 Å²	64	77 Å²	77	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-74.8	-28	176.1	-69.3	-74.4	0	0	0	113	R274 H275 Y278 F485 D486	R274-Y488 HydrophobicContact CG-CE2 4.21Å; H275-Y488 VanDerWaalsContact CA-OH 3.3Å; H275-Y488 WeakPolarHBondContact CA-OH 3.37Å; H275-Y488 PolarHBondContact CD2-OH 2.65Å; Y278-Y488 HydrophobicContact CD1-CE2 4.46Å; Y278-Y488 HydrophobicContact CD2-CD2 4.05Å; Y278-Y488 HydrophobicContact CD2-CE2 4.23Å; Y278-Y488 HydrophobicContact CE2-CD2 4.34Å; Y278-Y488 HydrophobicContact CG-CD2 4.22Å; Y278-Y488 AromaticContact CG-CE2 3.99Å; Y278-Y488 HydrophobicContact CG-CE2 3.99Å; F485-Y488 HydrophobicContact CB-CD2 4.19Å; F485-Y488 HydrophobicContact CD1-CD2 4.4Å; F485-Y488 HydrophobicContact CD1-CE2 4.25Å; F485-Y488 WeakPolarHBondContact O-CD2 3.25Å; F485-Y488 PolarHBondContact O-N 3.43Å; D486-Y488 PolarHBondContact O-N 3.43Å
489	Y	79.7	Confident	72.8	Confident	92 Å²	92	76.9 Å²	76.9	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-89.6	-34.7	-178.3	-57.1	-69.3	0	0	0	111.8	L480 F485 D486 S491 S492 S493	L480-Y489 WeakPolarHBondContact O-CE2 3.3Å; L480-Y489 PolarHBondContact O-OH 3.39Å; F485-Y489 HydrophobicContact CB-CE2 4.37Å; D486-Y489 PolarHBondContact O-N 3.03Å; Y489-S491 VanDerWaalsContact C-N 3.33Å; Y489-S491 PolarHBondContact O-N 2.77Å; Y489-S492 PolarHBondContact O-N 2.81Å; Y489-S492 PolarHBondContact O-OG 2.88Å; Y489-S493 PolarHBondContact O-OG 2.79Å
490	K	68.7	Low	70.3	Confident	135 Å²	135	88.3 Å²	88.3	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-65.3	-30.3	180	-70.6	172.6	-175.4	165.5	0	113.6	D486 S492	D486-K490 HydrophobicContact CB-CD 4.44Å; D486-K490 WeakPolarHBondContact O-CG 3.49Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 IonicContact OD2-NZ 2.69Å; D486-K490 PolarHBondContact OD2-NZ 2.9Å; D486-K490 VanDerWaalsContact OD2-NZ 3.11Å; K490-S492 VanDerWaalsContact C-N 3.33Å
491	S	56.1	Low	67.6	Low	63 Å²	63	91.6 Å²	91.6	44%	0.441	50%	0.498	S	S	.	.	H	α-helix	trans	-74.3	-22.3	176.8	78.8	0	0	0	0	113.6	Y489 S494	Y489-S491 VanDerWaalsContact C-N 3.33Å; Y489-S491 PolarHBondContact O-N 2.77Å; S491-S494 PolarHBondContact O-OG 2.81Å
492	S	51.3	Low	64.8	Low	64 Å²	64	89.2 Å²	89.2	45%	0.448	51%	0.507	S	S	.	.	H	α-helix	trans	-78.4	-28.4	179.2	75.7	0	0	0	0	112.7	Y489 K490	Y489-S492 PolarHBondContact O-N 2.81Å; Y489-S492 PolarHBondContact O-OG 2.88Å; K490-S492 VanDerWaalsContact C-N 3.33Å
493	S	50	Low	62	Low	78 Å²	78	94.4 Å²	94.4	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-75.9	-36.2	179.9	-43	0	0	0	0	112.6	Y489 K496	Y489-S493 PolarHBondContact O-OG 2.79Å; S493-K496 PolarHBondContact O-N 2.91Å
494	S	46.8	Very low	59.2	Low	76 Å²	76	98.2 Å²	98.2	53%	0.531	57%	0.567	S	S	.	*	H	α-helix	trans	-74.6	-23.7	178.8	59.3	0	0	0	0	113.5	S491 S497	S491-S494 PolarHBondContact O-OG 2.81Å; S494-S497 PolarHBondContact O-OG 2.96Å
495	R	46.5	Very low	56.3	Low	211 Å²	211	109.9 Å²	109.9	80%	0.796	61%	0.611	S	S	*	*	H	α-helix	trans	-74.9	-23.7	172.7	-73.6	-177.8	179.1	178.5	0.6	113.4
496	K	45.9	Very low	53.4	Low	181 Å²	181	115.7 Å²	115.7	79%	0.787	65%	0.652	S	S	*	*	H	α-helix	trans	-85.9	-17.6	177.8	-75.5	-174.9	178	179.2	0	114	S493	S493-K496 PolarHBondContact O-N 2.91Å
497	S	45.9	Very low	50.7	Low	96 Å²	96	118.4 Å²	118.4	67%	0.671	68%	0.675	S	S	*	*	S	Bend	trans	-87.7	-3.7	177.8	54.5	0	0	0	0	114.6	S494	S494-S497 PolarHBondContact O-OG 2.96Å
498	G	43.1	Very low	48.2	Very low	71 Å²	71	121.4 Å²	121.4	73%	0.732	70%	0.697	S	S	*	*	S	Bend	trans	-94.3	-1.5	-176.1	0	0	0	0	0	117
499	S	43	Very low	46	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	72%	0.72	S	S	*	*	S	Bend	trans	-113.7	15.5	-174.7	72.6	0	0	0	0	115.5
500	R	45.4	Very low	44.1	Very low	241 Å²	241	124.4 Å²	124.4	91%	0.909	74%	0.741	S	S	*	*	S	Bend	trans	-126.9	89.9	172.8	-82.6	-177	161.8	-177.9	-5.1	110.6
501	G	41.7	Very low	42.8	Very low	79 Å²	79	124 Å²	124	81%	0.814	76%	0.755	S	S	*	*			trans	166.9	59.2	169.5	0	0	0	0	0	117.3
502	S	38.8	Very low	41.9	Very low	119 Å²	119	124.8 Å²	124.8	83%	0.832	77%	0.773	S	S	*	*			trans	-153	69.5	152.8	60.4	0	0	0	0	111.5
503	S	38.5	Very low	41.4	Very low	121 Å²	121	125.6 Å²	125.6	85%	0.846	79%	0.791	S	S	*	*			trans	-101.1	102.9	154.5	27	0	0	0	0	107.7	R505	S503-R505 PolarHBondContact O-N 3.35Å
504	T	38.4	Very low	41.3	Very low	141 Å²	141	127.8 Å²	127.8	87%	0.865	81%	0.806	S	S	*	*			trans	-59.1	114.3	173	32.6	0	0	0	0	110.2
505	R	37.1	Very low	41.3	Very low	248 Å²	248	137.7 Å²	137.7	94%	0.936	84%	0.84	S	S	*	*			trans	-92.4	107.5	162.2	-99.7	177.9	151.6	-167.5	-6.4	108	S503	S503-R505 PolarHBondContact O-N 3.35Å
506	S	37.6	Very low	41.1	Very low	122 Å²	122	134 Å²	134	85%	0.853	84%	0.842	S	S	*	*			trans	-77.7	116.7	167.9	51	0	0	0	0	109.9
507	S	36.3	Very low	40.8	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	85%	0.845	S	S	*	*			trans	-128.3	102.2	164.1	55.8	0	0	0	0	108.6
508	S	37.7	Very low	40.5	Very low	128 Å²	128	133.5 Å²	133.5	90%	0.895	86%	0.855	S	S	*	*			trans	-86.4	126	169.7	42.4	0	0	0	0	109.6
509	S	36.9	Very low	40.4	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	86%	0.862	S	S	*	*			trans	-101	125.4	175.8	53	0	0	0	0	111.2
510	S	40.2	Very low	40.2	Very low	113 Å²	113	139.3 Å²	139.3	79%	0.79	87%	0.87	S	S	*	*			trans	54	115.4	135.7	62.6	0	0	0	0	121.9
511	S	40.9	Very low	39.9	Very low	127 Å²	127	132.5 Å²	132.5	89%	0.888	87%	0.868	S	S	*	*				-167.4	137.6	126.8	51.6	0	0	0	0	106.3
512	G	37.3	Very low	39.7	Very low	78 Å²	78	136.3 Å²	136.3	80%	0.804	87%	0.871	S	S	*	*			cis	119.7	91.6	24.6	0	0	0	0	0	108.3
513	G	40.7	Very low	39.8	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	87%	0.874	S	S	*	*			trans	74.1	118.3	145.4	0	0	0	0	0	120.1
514	S	49.1	Very low	39.9	Very low	124 Å²	124	139 Å²	139	87%	0.867	88%	0.877	S	S	*	*			trans	-47.1	139.3	167.4	-47.4	0	0	0	0	116.4
515	K	46.6	Very low	40	Very low	284 Å²	284	138.8 Å²	138.8	100%	1.235	88%	0.878	S	S	*	*				-164.8	0	114.8	-104.4	-178.2	-176.7	-177.7	0	110.6

Retrieved 515 of 515 residues in 1041.1 ms (Link to these results)

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