A0A087XPP9_POEFO Loading...

Microtubule associated tyrosine carboxypeptidase 2

AlphaFold DB , UniProt , Accession A0A087XPP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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	37.8	Very low	28.6	Very low	242 Å²	242	161.6 Å²	161.6	100%	1.192	83%	0.832	S	S	*	*				0	130.6	0	-72.5	176.5	-81.5	0	0	108
2	L	25	Very low	28.4	Very low	178 Å²	178	163.3 Å²	163.3	93%	0.932	83%	0.833	S	S	*	*			trans	-177.8	138.5	154.5	-103.3	164	0	0	0	106.5
3	E	28.3	Very low	28.7	Very low	184 Å²	184	168.8 Å²	168.8	86%	0.86	84%	0.838	S	S	*	*			trans	-100.9	144.6	-163.6	-64	175.9	120.8	0	0	112.6	I5	E3-I5 PolarHBondContact O-N 2.7Å
4	S	27.5	Very low	28.7	Very low	112 Å²	112	164 Å²	164	78%	0.783	83%	0.825	S	S	*	*			trans	-86.7	95.1	178.6	45.3	0	0	0	0	111.3	K6	S4-K6 PolarHBondContact O-N 3.2Å; S4-K6 VanDerWaalsContact O-N 3.07Å
5	I	28	Very low	29.2	Very low	154 Å²	154	166.6 Å²	166.6	79%	0.79	83%	0.833	S	S	*	*			trans	-61.2	111	175.7	-58	175.7	0	0	0	109.7	E3 V7	E3-I5 PolarHBondContact O-N 2.7Å; I5-V7 HydrophobicContact CG2-CG2 4.01Å
6	K	31.2	Very low	29.4	Very low	184 Å²	184	163.8 Å²	163.8	80%	0.8	83%	0.827	S	S	*	*			trans	-93.1	104.4	167.3	-75.6	-175.6	177.1	178.6	0	109.6	S4 T8	S4-K6 PolarHBondContact O-N 3.2Å; S4-K6 VanDerWaalsContact O-N 3.07Å; K6-T8 PolarHBondContact O-N 2.85Å
7	V	25	Very low	29.5	Very low	117 Å²	117	161.7 Å²	161.7	71%	0.709	82%	0.819	S	S	*	*			trans	-79.6	102.2	169.3	-175.2	0	0	0	0	108.9	I5 E9	I5-V7 HydrophobicContact CG2-CG2 4.01Å; V7-E9 HydrophobicContact CG1-CG 3.96Å
8	T	28.9	Very low	29.6	Very low	120 Å²	120	162.6 Å²	162.6	74%	0.736	83%	0.825	S	S	*	*			trans	-97.8	98.6	164.2	47.6	0	0	0	0	109.2	K6 Q10	K6-T8 PolarHBondContact O-N 2.85Å; T8-Q10 PolarHBondContact O-N 2.84Å
9	E	26.1	Very low	29.7	Very low	161 Å²	161	157.4 Å²	157.4	75%	0.752	81%	0.805	S	S	*	*			trans	-70.5	99.3	173.5	-67.1	-169	131.8	0	0	110.9	V7	V7-E9 HydrophobicContact CG1-CG 3.96Å
10	Q	29.8	Very low	29.7	Very low	186 Å²	186	160.1 Å²	160.1	87%	0.869	81%	0.811	S	S	*	*			trans	-92.4	92.6	156.1	-76.1	-171	-29.5	0	0	108.5	T8 H12	T8-Q10 PolarHBondContact O-N 2.84Å; Q10-H12 PolarHBondContact O-N 3.38Å
11	L	26.8	Very low	29.8	Very low	140 Å²	140	161.5 Å²	161.5	73%	0.733	81%	0.811	S	S	*	*			trans	-78.8	115.5	170.9	-74.3	170.7	0	0	0	109.9
12	H	26.7	Very low	29.3	Very low	181 Å²	181	155.4 Å²	155.4	84%	0.838	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.1	173.2	-151.4	82.1	0	0	0	108.9	Q10 P14	Q10-H12 PolarHBondContact O-N 3.38Å; H12-P14 WeakPolarHBondContact O-CD 3.07Å
13	W	32.2	Very low	29.5	Very low	236 Å²	236	153.4 Å²	153.4	89%	0.894	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-81.9	123.1	179.6	-63.2	104.8	0	0	0	110.7
14	P	28.8	Very low	29.5	Very low	101 Å²	101	155 Å²	155	66%	0.656	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.2	138.2	164.8	31.6	-32.1	0	0	0	110	H12	H12-P14 WeakPolarHBondContact O-CD 3.07Å
15	E	35.8	Very low	29.4	Very low	203 Å²	203	156.7 Å²	156.7	95%	0.949	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.4	130.6	163.9	-63.7	-177.2	136.3	0	0	109
16	V	33.6	Very low	29.4	Very low	121 Å²	121	154.5 Å²	154.5	73%	0.733	79%	0.785	S	S	*	*			trans	-127.5	119.7	175.9	-179	0	0	0	0	109.3
17	D	29.6	Very low	29.2	Very low	129 Å²	129	149.4 Å²	149.4	69%	0.69	78%	0.776	S	S	*	*			trans	-67.6	127.6	-176.2	177.7	22.5	0	0	0	112.4	S19	D17-S19 PolarHBondContact O-N 2.87Å; D17-S19 PolarHBondContact OD2-OG 3.08Å
18	L	32.7	Very low	29.3	Very low	177 Å²	177	151.2 Å²	151.2	93%	0.927	78%	0.782	S	S	*	*			trans	-90.6	65.6	179.7	-74.8	177.5	0	0	0	111.7
19	S	30.2	Very low	29.2	Very low	64 Å²	64	156.7 Å²	156.7	45%	0.448	79%	0.789	S	S	.	*			trans	-126.7	74.3	-178.2	69.8	0	0	0	0	115	D17	D17-S19 PolarHBondContact O-N 2.87Å; D17-S19 PolarHBondContact OD2-OG 3.08Å
20	K	30.3	Very low	29.3	Very low	212 Å²	212	155.6 Å²	155.6	92%	0.922	79%	0.793	S	S	*	*			trans	-167.3	159.9	145.3	-101	134.7	-155.3	165.4	0	113.8
21	K	32.6	Very low	29.1	Very low	189 Å²	189	153 Å²	153	82%	0.822	79%	0.79	S	S	*	*			trans	-111.6	140.2	-166.4	-58.2	172.6	-179.5	175.5	0	112.8	I23	K21-I23 HydrophobicContact CB-CG1 4.48Å
22	S	26.7	Very low	29.1	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	79%	0.792	S	S	*	*			trans	-145.5	120.1	138	48.6	0	0	0	0	105.3
23	I	29.2	Very low	29.4	Very low	136 Å²	136	148.2 Å²	148.2	70%	0.697	79%	0.786	S	S	*	*				65.3	80.7	51.5	-49	177	0	0	0	111.6	K21	K21-I23 HydrophobicContact CB-CG1 4.48Å
24	F	27.4	Very low	29.1	Very low	218 Å²	218	143.1 Å²	143.1	96%	0.956	78%	0.781	S	S	*	*				-135.4	150.3	124.9	-113.2	-83.4	0	0	0	108.4
25	N	26.4	Very low	29	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	79%	0.792	S	S	*	*			trans	-143.9	119.3	-161.5	-169.2	22.2	0	0	0	113
26	S	27.6	Very low	28.4	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	78%	0.783	S	S	*	*			trans	-163.6	101.9	162.3	55.7	0	0	0	0	106.6
27	A	27.3	Very low	28	Very low	76 Å²	76	143.8 Å²	143.8	63%	0.628	79%	0.788	S	S	*	*				45.9	114.5	73.5	0	0	0	0	0	110.5
28	N	27.8	Very low	27.7	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	79%	0.793	S	S	*	*			cis	-163	173.2	37.9	-123.6	-37.8	0	0	0	114.4
29	R	26.1	Very low	27.3	Very low	236 Å²	236	142.3 Å²	142.3	89%	0.891	79%	0.785	S	S	*	*			trans	68.7	104.6	164	-71.1	-175.2	174.7	-164.7	-2.7	120.1
30	V	28	Very low	27	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	80%	0.797	S	S	*	*			trans	-58.4	143.3	140.5	173.3	0	0	0	0	110.5
31	V	26.2	Very low	26.7	Very low	132 Å²	132	141.8 Å²	141.8	80%	0.8	79%	0.791	S	S	*	*			trans	-172.7	146.3	139.1	141.3	0	0	0	0	109.2
32	S	25.6	Very low	26.6	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	79%	0.788	S	S	*	*			trans	-126.7	138.2	161.5	178.8	0	0	0	0	106.7
33	P	32.7	Very low	26.5	Very low	110 Å²	110	138.1 Å²	138.1	71%	0.714	79%	0.786	S	S	*	*				-150.2	174.3	109.8	39.7	-23.5	0	0	0	115.6
34	T	26	Very low	26.5	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	79%	0.791	S	S	*	*			trans	-74.5	134.5	169.2	-6.7	0	0	0	0	112.5
35	Q	27	Very low	26.3	Very low	189 Å²	189	131.3 Å²	131.3	88%	0.883	78%	0.78	S	S	*	*				175.3	121.6	129	-97.8	171.2	0	0	0	115
36	V	24.7	Very low	26.3	Very low	128 Å²	128	134.4 Å²	134.4	78%	0.776	79%	0.787	S	S	*	*			trans	11.2	119.3	141.6	-171.1	0	0	0	0	120.1
37	C	23.3	Very low	26.2	Very low	122 Å²	122	137.5 Å²	137.5	82%	0.824	79%	0.789	S	S	*	*				-175.8	165.6	119.6	-113.7	0	0	0	0	115.7
38	F	24.1	Very low	26	Very low	182 Å²	182	140.8 Å²	140.8	80%	0.798	80%	0.796	S	S	*	*			trans	-72.1	148.2	-159	-69.8	-98.9	0	0	0	120.9
39	A	23.8	Very low	25.8	Very low	93 Å²	93	141.7 Å²	141.7	77%	0.769	80%	0.8	S	S	*	*			trans	-154.2	117.4	133	0	0	0	0	0	106.3
40	T	24.5	Very low	25.6	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	79%	0.793	S	S	*	*			cis	58.4	124.8	49.5	1.8	0	0	0	0	111.5
41	I	24.8	Very low	25.3	Very low	152 Å²	152	137.6 Å²	137.6	78%	0.779	79%	0.79	S	S	*	*			cis	-154.1	170.6	21.6	-72.4	169.4	0	0	0	107.3
42	P	29.5	Very low	25.2	Very low	118 Å²	118	139.6 Å²	139.6	77%	0.766	79%	0.79	S	S	*	*			cis	-121.6	178.1	-14.9	30.3	-11	0	0	0	115.1
43	S	25.3	Very low	25.1	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	80%	0.796	S	S	*	*			trans	-132.5	150.2	147.9	175.6	0	0	0	0	108.7
44	P	28.8	Very low	24.7	Very low	123 Å²	123	145 Å²	145	80%	0.799	80%	0.804	S	S	*	*			trans	-111.2	134.3	155.1	35	-25.5	0	0	0	111.4
45	A	24.1	Very low	24.7	Very low	88 Å²	88	145.9 Å²	145.9	73%	0.727	80%	0.799	S	S	*	*			trans	-108.4	156.9	163.7	0	0	0	0	0	109.3
46	F	24.7	Very low	24.6	Very low	211 Å²	211	142.2 Å²	142.2	93%	0.925	78%	0.782	S	S	*	*			trans	-155.2	138.3	151.8	-110.8	-75.4	0	0	0	109.8
47	E	25.3	Very low	24.7	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	78%	0.775	S	S	*	*			trans	-93.7	-174.6	161.9	-81.8	-165.7	126	0	0	110
48	D	23.5	Very low	24.8	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	76%	0.758	S	S	*	*			trans	63.2	110.8	171.1	-68.5	-29.4	0	0	0	118.3
49	L	23.6	Very low	25	Very low	175 Å²	175	140.6 Å²	140.6	92%	0.916	75%	0.753	S	S	*	*				-147.9	143.6	108.6	-141.1	79.5	0	0	0	112.3
50	L	21.8	Very low	25.1	Very low	142 Å²	142	143.4 Å²	143.4	74%	0.743	75%	0.75	S	S	*	*			trans	-107.7	150	173	-113.3	154.9	0	0	0	109.4
51	L	23.1	Very low	25.2	Very low	145 Å²	145	146 Å²	146	76%	0.759	75%	0.751	S	S	*	*			trans	76.8	159.9	158.2	-64.2	166.3	0	0	0	120.8
52	Q	23	Very low	25.3	Very low	173 Å²	173	147 Å²	147	81%	0.808	75%	0.753	S	S	*	*			trans	72.3	95.6	161.3	-72.8	168.3	14.6	0	0	119.7
53	T	24.5	Very low	25.1	Very low	148 Å²	148	151.3 Å²	151.3	91%	0.908	76%	0.759	S	S	*	*				-153.8	122.5	110.3	-5.8	0	0	0	0	112.6
54	E	24.3	Very low	25.2	Very low	188 Å²	188	154.9 Å²	154.9	88%	0.879	76%	0.764	S	S	*	*			trans	-109.1	-179.7	162.5	-60.2	171.8	129.6	0	0	108.5
55	E	25.7	Very low	25	Very low	145 Å²	145	154.7 Å²	154.7	68%	0.678	77%	0.766	S	S	*	*			cis	-93.9	-126.2	-22.3	-160.8	-168.5	168.1	0	0	107.2	K58	E55-K58 IonicContact OE1-NZ 2.78Å; E55-K58 PolarHBondContact OE1-NZ 3.12Å; E55-K58 IonicContact OE2-NZ 3.93Å; E55-K58 PolarHBondContact OE2-NZ 3.09Å
56	E	25.2	Very low	25.1	Very low	113 Å²	113	159.3 Å²	159.3	53%	0.528	77%	0.772	S	S	.	*			cis	-146.9	165.1	-12.1	-106.1	-61.8	37.1	0	0	103.2	K58	E56-K58 IonicContact OE1-NZ 3.69Å; E56-K58 PolarHBondContact OE1-NZ 3.34Å; E56-K58 IonicContact OE2-NZ 3.74Å; E56-K58 PolarHBondContact OE2-NZ 3.41Å
57	E	26	Very low	25.1	Very low	135 Å²	135	154.2 Å²	154.2	63%	0.631	76%	0.762	S	S	*	*			cis	-129.7	134	3.1	-101.2	-153.7	97.3	0	0	111.6	K59	E57-K59 IonicContact OE1-NZ 2.71Å; E57-K59 PolarHBondContact OE1-NZ 3.08Å
58	K	26.4	Very low	25.1	Very low	108 Å²	108	154.9 Å²	154.9	47%	0.47	76%	0.762	S	S	.	*				22.6	142.3	113.2	-69.1	173.9	-174.7	82.6	0	117.6	E55 E56	E55-K58 IonicContact OE1-NZ 2.78Å; E55-K58 PolarHBondContact OE1-NZ 3.12Å; E55-K58 IonicContact OE2-NZ 3.93Å; E55-K58 PolarHBondContact OE2-NZ 3.09Å; E56-K58 IonicContact OE1-NZ 3.69Å; E56-K58 PolarHBondContact OE1-NZ 3.34Å; E56-K58 IonicContact OE2-NZ 3.74Å; E56-K58 PolarHBondContact OE2-NZ 3.41Å
59	K	26.7	Very low	25.4	Very low	155 Å²	155	157.7 Å²	157.7	67%	0.674	77%	0.767	S	S	*	*			cis	-145.6	-179.6	7.3	-52.1	80.6	-174.3	158.4	0	107	E57	E57-K59 IonicContact OE1-NZ 2.71Å; E57-K59 PolarHBondContact OE1-NZ 3.08Å
60	Q	26.8	Very low	25.7	Very low	151 Å²	151	155 Å²	155	71%	0.706	76%	0.76	S	S	*	*			cis	-163.9	171.7	5.5	-150.2	-170.4	31.5	0	0	110
61	K	26.3	Very low	26.1	Very low	169 Å²	169	157.9 Å²	157.9	74%	0.735	77%	0.767	S	S	*	*			trans	81.3	109.9	153.2	-81.4	168.6	178.1	153.8	0	120.8
62	E	26.2	Very low	26.8	Very low	173 Å²	173	157 Å²	157	81%	0.808	77%	0.77	S	S	*	*			trans	-75	167.5	163.9	-39.1	97.1	120.7	0	0	113
63	K	26.9	Very low	26.9	Very low	209 Å²	209	153.7 Å²	153.7	91%	0.909	77%	0.766	S	S	*	*				-153	146.4	121.2	-117.3	177.2	-176.9	-176.5	0	112.4
64	E	25.9	Very low	27.1	Very low	182 Å²	182	154 Å²	154	85%	0.85	76%	0.759	S	S	*	*			trans	-74.4	156.8	-177.2	-54.3	161.3	94.2	0	0	112.6
65	S	25.9	Very low	27.4	Very low	120 Å²	120	154 Å²	154	84%	0.839	76%	0.756	S	S	*	*				-174.4	137.3	118.2	35.8	0	0	0	0	112.6
66	Q	26.1	Very low	27.3	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.864	76%	0.762	S	S	*	*			trans	-93.5	135.9	164	-55.9	175.4	9.2	0	0	109.2
67	C	23.3	Very low	27.3	Very low	104 Å²	104	148.7 Å²	148.7	70%	0.703	77%	0.77	S	S	*	*				-173.8	129.1	128	-103	0	0	0	0	116.5
68	K	26.5	Very low	27.4	Very low	187 Å²	187	150.9 Å²	150.9	81%	0.813	79%	0.785	S	S	*	*				40.2	133.9	122	-59.5	173.7	-172	165.6	0	120.8
69	K	29.1	Very low	27.5	Very low	205 Å²	205	149.1 Å²	149.1	89%	0.891	79%	0.791	S	S	*	*			trans	-45.2	151.5	162.8	-52.3	166.7	-178.2	171.5	0	113.6
70	P	30.5	Very low	27.6	Very low	119 Å²	119	149.8 Å²	149.8	77%	0.773	80%	0.801	S	S	*	*			trans	-112.5	140.2	141.4	34.7	-27.9	0	0	0	112.8
71	K	29.2	Very low	27.7	Very low	201 Å²	201	146.1 Å²	146.1	87%	0.874	79%	0.792	S	S	*	*			trans	-101.2	157.8	138.2	-78.8	-172.1	176.3	-176.1	0	106.6
72	P	37.2	Very low	27.8	Very low	128 Å²	128	147.3 Å²	147.3	83%	0.831	80%	0.798	S	S	*	*				-123.7	172.7	129	34.7	-29.2	0	0	0	112.4
73	S	26	Very low	28	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	80%	0.801	S	S	*	*			trans	-144.5	166.2	177.1	61.7	0	0	0	0	109
74	M	29.3	Very low	28	Very low	153 Å²	153	147.9 Å²	147.9	75%	0.754	80%	0.798	S	S	*	*			trans	137.7	147.3	161.2	-75.9	-83.9	171.2	0	0	110.5
75	K	29.5	Very low	28.1	Very low	188 Å²	188	150.4 Å²	150.4	82%	0.817	80%	0.8	S	S	*	*			cis	-168.7	160.9	-29.7	-138.3	-164.2	-154.9	170.2	0	109.7
76	G	24.3	Very low	28.1	Very low	78 Å²	78	151 Å²	151	80%	0.804	80%	0.798	S	S	*	*			trans	97.6	146.3	160.5	0	0	0	0	0	115.3
77	G	25.5	Very low	28.2	Very low	69 Å²	69	149.4 Å²	149.4	71%	0.711	79%	0.794	S	S	*	*			cis	175.7	161.8	-7.1	0	0	0	0	0	113.6
78	L	28.3	Very low	28.4	Very low	181 Å²	181	152.6 Å²	152.6	95%	0.948	80%	0.803	S	S	*	*			trans	70.2	157.1	178.7	-54.7	169.2	0	0	0	116.9
79	A	28.6	Very low	28.4	Very low	71 Å²	71	147.8 Å²	147.8	59%	0.587	80%	0.798	S	S	*	*				-169.3	168.5	-55.7	0	0	0	0	0	110.6
80	L	28.3	Very low	28.4	Very low	170 Å²	170	146.9 Å²	146.9	89%	0.89	80%	0.797	S	S	*	*			trans	69.8	151.1	172.1	-64	110.4	0	0	0	117.4
81	S	28.6	Very low	28.2	Very low	74 Å²	74	150.1 Å²	150.1	52%	0.517	80%	0.799	S	S	.	*			cis	-171.1	121.8	-22.5	158.4	0	0	0	0	112.8
82	K	30	Very low	28	Very low	194 Å²	194	149.4 Å²	149.4	84%	0.843	80%	0.799	S	S	*	*			trans	66.9	165.7	158.7	-59	164.7	-169.8	168.6	0	114.2
83	R	28.7	Very low	27.3	Very low	235 Å²	235	149 Å²	149	89%	0.887	79%	0.794	S	S	*	*			cis	-149.6	147.1	13.8	-156.5	173.9	-166.7	159.9	1.1	111.3
84	N	28.2	Very low	27.3	Very low	158 Å²	158	155.9 Å²	155.9	85%	0.845	80%	0.804	S	S	*	*			trans	-73	153.7	175.8	-62.5	-9.9	0	0	0	112.8
85	R	27.1	Very low	27.1	Very low	236 Å²	236	153.8 Å²	153.8	89%	0.891	81%	0.805	S	S	*	*			trans	-152.9	125.4	138.7	-122.7	175.7	-174.4	176.7	1	112.5
86	V	26.1	Very low	27.7	Very low	132 Å²	132	150 Å²	150	80%	0.8	80%	0.799	S	S	*	*			trans	-98.1	146.8	163.4	173.8	0	0	0	0	107.3
87	I	27.2	Very low	27.8	Very low	152 Å²	152	154 Å²	154	78%	0.779	80%	0.802	S	S	*	*			trans	-130.5	133.4	166.9	-63	-178.5	0	0	0	108.2
88	L	27.7	Very low	27.7	Very low	170 Å²	170	154 Å²	154	89%	0.89	80%	0.802	S	S	*	*			trans	-142.8	109.5	178.7	179.8	110.1	0	0	0	108.8
89	A	27.4	Very low	27.5	Very low	86 Å²	86	149.2 Å²	149.2	71%	0.711	80%	0.796	S	S	*	*			trans	-171.4	147	175.1	0	0	0	0	0	109
90	Q	28.1	Very low	27.3	Very low	186 Å²	186	153 Å²	153	87%	0.869	80%	0.802	S	S	*	*			cis	-155.6	163.7	-26	-143.2	172.2	3.5	0	0	108.4
91	K	26.3	Very low	27.1	Very low	188 Å²	188	152.6 Å²	152.6	82%	0.817	79%	0.793	S	S	*	*			trans	-97.1	134.1	179.5	-176.2	-175.1	-177	-176.6	0	110.1
92	Q	26.1	Very low	27.5	Very low	186 Å²	186	154.2 Å²	154.2	87%	0.869	80%	0.802	S	S	*	*			trans	-149	159.6	163.4	-121.1	178.2	79	0	0	112.2
93	T	23.1	Very low	27.2	Very low	118 Å²	118	151 Å²	151	72%	0.724	80%	0.798	S	S	*	*			trans	-145.1	136.4	-164.9	2.4	0	0	0	0	109.4
94	R	25	Very low	26.9	Very low	249 Å²	249	148.1 Å²	148.1	94%	0.94	80%	0.795	S	S	*	*			trans	-179	128.5	142.7	-104.3	161.4	-173.2	-170.3	1	113.8
95	S	25.9	Very low	26.6	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	79%	0.787	S	S	*	*			trans	-83.6	179.6	144.4	-2.5	0	0	0	0	108.8
96	P	40.8	Very low	26.5	Very low	108 Å²	108	142.1 Å²	142.1	70%	0.701	79%	0.785	S	S	*	*			cis	-136.8	177.7	21.9	43.3	-25.4	0	0	0	118
97	D	26.6	Very low	26.3	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	78%	0.781	S	S	*	*			trans	64.7	161.1	158.4	-85.4	88.2	0	0	0	120.8
98	G	24	Very low	26.2	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	78%	0.779	S	S	*	*			cis	179	-178.7	-2.7	0	0	0	0	0	114
99	G	23.3	Very low	26	Very low	80 Å²	80	139.7 Å²	139.7	83%	0.825	78%	0.775	S	S	*	*			trans	124	150.8	174	0	0	0	0	0	115.8
100	E	24.1	Very low	25.9	Very low	152 Å²	152	141 Å²	141	71%	0.71	78%	0.779	S	S	*	*			trans	-121	147.6	-171.5	-58	-158.5	101.6	0	0	115.9
101	K	24.4	Very low	25.7	Very low	161 Å²	161	137 Å²	137	70%	0.7	78%	0.778	S	S	*	*			trans	64.8	174.7	138.5	-78.4	166.8	-169.5	152.5	0	119.1
102	P	36.3	Very low	25.7	Very low	108 Å²	108	133 Å²	133	70%	0.701	77%	0.773	S	S	*	*			cis	-132.1	176.2	-18.3	23.1	-0.3	0	0	0	115.7
103	V	23.8	Very low	25.7	Very low	127 Å²	127	131.4 Å²	131.4	77%	0.77	77%	0.771	S	S	*	*			trans	71.5	150.4	147.6	158.7	0	0	0	0	116.4
104	Q	23.6	Very low	25.8	Very low	173 Å²	173	131.2 Å²	131.2	81%	0.808	77%	0.773	S	S	*	*			cis	-137.3	-175.7	11.6	-151.2	144.4	15.9	0	0	114.2
105	T	22.2	Very low	25.9	Very low	110 Å²	110	126.7 Å²	126.7	68%	0.675	77%	0.768	S	S	*	*			trans	-69.1	161.2	-180	50.5	0	0	0	0	115.9
106	N	24.4	Very low	26.1	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	77%	0.773	S	S	*	*				-156.2	143.7	116.9	-103.5	-24.4	0	0	0	113.5
107	C	22.8	Very low	25.6	Very low	106 Å²	106	132.7 Å²	132.7	72%	0.716	78%	0.783	S	S	*	*			trans	-109.6	132.6	172.4	-178.3	0	0	0	0	108.7
108	V	24	Very low	25.6	Very low	122 Å²	122	134.1 Å²	134.1	74%	0.739	78%	0.782	S	S	*	*			trans	-137.4	120.6	173.7	178.9	0	0	0	0	109.1
109	H	24.2	Very low	25.9	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.806	79%	0.786	S	S	*	*			trans	-73.9	144.8	168.7	-66.5	-93.7	0	0	0	110.3
110	S	24.4	Very low	26	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	78%	0.782	S	S	*	*			trans	-148.1	126.4	160.2	-78.8	0	0	0	0	109.3
111	A	25.2	Very low	26.3	Very low	102 Å²	102	139.7 Å²	139.7	84%	0.843	79%	0.792	S	S	*	*			trans	-71.1	147.5	-176.9	0	0	0	0	0	111.3
112	S	25.5	Very low	26.4	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	79%	0.791	S	S	*	*			trans	-119.9	120.5	170	-164.5	0	0	0	0	108.9	C114	S112-C114 PolarHBondContact O-N 3.37Å; S112-C114 VanDerWaalsContact O-N 3.08Å
113	N	26.1	Very low	25.9	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	80%	0.799	S	S	*	*			trans	-77.1	95.2	-178.1	-77.2	-19.3	0	0	0	110.6	N115	N113-N115 PolarHBondContact O-N 2.78Å
114	C	25.6	Very low	26	Very low	113 Å²	113	139.6 Å²	139.6	76%	0.764	80%	0.8	S	S	*	*			trans	-80	76.4	-179.5	-64.3	0	0	0	0	112.4	S112 L116	S112-C114 PolarHBondContact O-N 3.37Å; S112-C114 VanDerWaalsContact O-N 3.08Å; C114-L116 PolarHBondContact O-N 3.09Å
115	N	27.6	Very low	26	Very low	155 Å²	155	137 Å²	137	83%	0.829	80%	0.796	S	S	*	*			trans	-73.5	83.7	171.5	-81.3	-9.4	0	0	0	111.8	N113	N113-N115 PolarHBondContact O-N 2.78Å
116	L	29.7	Very low	26.3	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	81%	0.807	S	S	*	*			trans	-154.1	132.4	149.9	-136.9	74.8	0	0	0	110	C114	C114-L116 PolarHBondContact O-N 3.09Å
117	L	29.1	Very low	26.3	Very low	177 Å²	177	134.4 Å²	134.4	93%	0.927	80%	0.799	S	S	*	*			trans	-72.9	132.1	-172.1	-68.9	165	0	0	0	111.9
118	K	27.5	Very low	26.4	Very low	192 Å²	192	134.9 Å²	134.9	84%	0.835	80%	0.803	S	S	*	*			trans	-83.7	130.4	168.3	-66.1	-179.2	-180	179.1	0	109.8	T120	K118-T120 PolarHBondContact O-N 3.16Å
119	P	29.9	Very low	26.5	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	81%	0.81	S	S	*	*			trans	-78.2	115.7	167	30.5	-31	0	0	0	110.1
120	T	25.4	Very low	26.6	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	82%	0.815	S	S	*	*			trans	-87	126.1	169	-57.9	0	0	0	0	109.2	K118	K118-T120 PolarHBondContact O-N 3.16Å
121	L	30.2	Very low	26.7	Very low	174 Å²	174	137 Å²	137	91%	0.911	81%	0.809	S	S	*	*			trans	-116.1	91.7	168.4	-71.2	176.7	0	0	0	109.5
122	S	26.9	Very low	26.7	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	82%	0.815	S	S	*	*			trans	-97.8	122	165.2	53.6	0	0	0	0	108.8
123	L	25.4	Very low	26.8	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	82%	0.816	S	S	*	*			trans	-98.4	115.8	-172.5	-140.4	166.4	0	0	0	109.9
124	T	25.4	Very low	27.5	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	82%	0.815	S	S	*	*			trans	-138.8	150.1	173.9	-22.1	0	0	0	0	109.9
125	V	25.3	Very low	27.5	Very low	120 Å²	120	146.9 Å²	146.9	73%	0.727	82%	0.82	S	S	*	*			trans	-112.9	170.5	-166.3	177.5	0	0	0	0	110.8
126	V	27.1	Very low	27.5	Very low	148 Å²	148	146.7 Å²	146.7	90%	0.897	82%	0.824	S	S	*	*			trans	84.1	137	179.6	-169.6	0	0	0	0	113.2
127	G	25.5	Very low	27.4	Very low	66 Å²	66	143.4 Å²	143.4	68%	0.68	82%	0.821	S	S	*	*			cis	-173.6	161.3	-3.5	0	0	0	0	0	112.5
128	S	24.5	Very low	27.2	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	81%	0.813	S	S	*	*			trans	-73.5	145.6	-165	-41.5	0	0	0	0	116.8
129	K	26.9	Very low	27.3	Very low	202 Å²	202	138 Å²	138	88%	0.878	81%	0.81	S	S	*	*				175.4	166.6	112.4	-96.2	174	-177	-179.1	0	115.1
130	M	26	Very low	27.2	Very low	186 Å²	186	138.4 Å²	138.4	92%	0.916	80%	0.804	S	S	*	*			trans	-16.8	151.6	163.6	-57.1	-76.5	-143.7	0	0	118.4
131	G	25.3	Very low	27.2	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	81%	0.807	S	S	*	*			cis	154.2	177.6	-3.1	0	0	0	0	0	114.3
132	L	26.8	Very low	27.1	Very low	183 Å²	183	143.5 Å²	143.5	96%	0.958	80%	0.803	S	S	*	*			trans	77	158.7	166.7	-60.1	177.4	0	0	0	121
133	I	27.2	Very low	27.1	Very low	147 Å²	147	145.2 Å²	145.2	75%	0.754	81%	0.81	S	S	*	*			trans	-124.4	143.5	-161.2	-79.9	168.6	0	0	0	106.2
134	P	39.6	Very low	27.2	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	81%	0.81	S	S	*	*				-155.3	155	80.7	38.8	-16.3	0	0	0	122
135	R	26.5	Very low	27.3	Very low	228 Å²	228	142.5 Å²	142.5	86%	0.86	81%	0.807	S	S	*	*			trans	-11.4	149.4	149.1	-55.6	170.7	174.4	176.3	-2.9	119.5
136	T	27	Very low	27.4	Very low	151 Å²	151	145.3 Å²	145.3	93%	0.926	82%	0.817	S	S	*	*				-163.6	170.8	119.3	11.4	0	0	0	0	110.1
137	A	27.4	Very low	27.4	Very low	96 Å²	96	145.8 Å²	145.8	79%	0.793	81%	0.814	S	S	*	*			trans	-151.5	155.6	-175.8	0	0	0	0	0	112
138	S	26.3	Very low	27.4	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	82%	0.82	S	S	*	*			trans	177.8	145.8	146.5	53.5	0	0	0	0	116.5
139	L	29.6	Very low	27.5	Very low	146 Å²	146	152.9 Å²	152.9	76%	0.764	83%	0.825	S	S	*	*			trans	64.7	112	139	-67.6	164.6	0	0	0	123.7
140	L	26.8	Very low	27.4	Very low	134 Å²	134	154.5 Å²	154.5	70%	0.702	83%	0.826	S	S	*	*				37	127	117.1	-91.3	67.5	0	0	0	118.9
141	R	26.1	Very low	27.5	Very low	209 Å²	209	151.6 Å²	151.6	79%	0.789	82%	0.821	S	S	*	*				173	153.3	60.8	-118.6	169.1	-176.7	177.9	3.5	113.1
142	K	27.7	Very low	27.5	Very low	193 Å²	193	153 Å²	153	84%	0.839	83%	0.826	S	S	*	*			trans	66.7	143.4	149.3	-70.5	-172.4	175	-171	0	121.9
143	T	26.1	Very low	27.5	Very low	133 Å²	133	152.8 Å²	152.8	82%	0.816	83%	0.825	S	S	*	*			trans	-90.6	172	170.1	49.4	0	0	0	0	112.1
144	P	28.9	Very low	27.4	Very low	132 Å²	132	151.2 Å²	151.2	86%	0.857	83%	0.827	S	S	*	*				-132.7	173.4	108.7	39.1	-31.9	0	0	0	114.1
145	S	26.7	Very low	26.8	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	82%	0.819	S	S	*	*			trans	-108.2	155.7	-176.2	55.1	0	0	0	0	113.4
146	L	28.3	Very low	26.8	Very low	179 Å²	179	144.2 Å²	144.2	94%	0.937	81%	0.813	S	S	*	*			trans	-137.4	135.1	160.3	-101.7	139	0	0	0	110.1
147	N	25.6	Very low	26.7	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	80%	0.803	S	S	*	*			trans	-94.2	140.7	179.9	-80.4	-27.1	0	0	0	111.1
148	A	26.3	Very low	27	Very low	97 Å²	97	148.5 Å²	148.5	80%	0.802	81%	0.805	S	S	*	*			trans	-143.1	132.2	161.1	0	0	0	0	0	110.6
149	Y	26.4	Very low	27.1	Very low	233 Å²	233	147.8 Å²	147.8	91%	0.914	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-59.9	143.5	-167.7	-67.7	-98.5	0	0	0	115.4
150	R	25.2	Very low	27	Very low	237 Å²	237	145 Å²	145	89%	0.894	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.7	136.7	153.7	-76.6	-174.3	176	-174.8	-0.9	109.6
151	P	27.4	Very low	27.3	Very low	124 Å²	124	145 Å²	145	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.8	149.7	157.7	-10.1	26.8	0	0	0	110.2
152	A	25.2	Very low	27.5	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	80%	0.798	S	S	*	*			trans	-106.5	131.4	169.2	0	0	0	0	0	110
153	L	27.6	Very low	27.6	Very low	177 Å²	177	139 Å²	139	93%	0.927	79%	0.794	S	S	*	*			trans	-120.8	154.8	161	-108.9	83.1	0	0	0	109.5
154	S	25.3	Very low	27.7	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	79%	0.792	S	S	*	*			trans	-87.3	157.5	-159.8	41.8	0	0	0	0	115.4
155	S	27.6	Very low	27.7	Very low	88 Å²	88	137.8 Å²	137.8	62%	0.615	78%	0.779	S	S	*	*			trans	-71.4	155.5	176.9	92.5	0	0	0	0	112.8
156	P	26.3	Very low	27.8	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	78%	0.776	S	S	*	*			trans	-121.1	104	135.9	7.1	14.1	0	0	0	112.8
157	Y	23.6	Very low	28	Very low	183 Å²	183	137 Å²	137	72%	0.718	76%	0.763	S	S	*	*			trans	48.3	108.3	137.5	-45.7	-68	0	0	0	121.5
158	N	33.7	Very low	28.2	Very low	154 Å²	154	133.3 Å²	133.3	82%	0.824	75%	0.754	S	S	*	*				49.8	79.4	120.8	-57.8	-20.6	0	0	0	119.6
159	A	28.1	Very low	28.8	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	75%	0.752	S	S	*	*			trans	-145.1	0.2	160.8	0	0	0	0	0	116.1
160	A	29.2	Very low	29.5	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	75%	0.745	S	S	*	*	S	Bend	trans	-104	-15.7	-163.4	0	0	0	0	0	116.5	S162	A160-S162 PolarHBondContact O-N 3.32Å
161	T	31.5	Very low	30.7	Very low	133 Å²	133	126.9 Å²	126.9	82%	0.816	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-0.1	-166	24.7	0	0	0	0	116.3
162	S	30.6	Very low	32.4	Very low	80 Å²	80	124 Å²	124	56%	0.559	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-18.5	-170.7	56.5	0	0	0	0	116.2	A160	A160-S162 PolarHBondContact O-N 3.32Å
163	R	30.4	Very low	34.8	Very low	198 Å²	198	122.7 Å²	122.7	75%	0.747	68%	0.683	S	S	*	*	S	Bend	trans	-103.8	-25.2	-169.2	-69	-175.1	178.4	172	2	115.9
164	E	28	Very low	37	Very low	169 Å²	169	118 Å²	118	79%	0.79	66%	0.656	S	S	*	*	S	Bend	trans	-79.4	-29.5	177.6	-63.6	-171.9	131.4	0	0	111.9	E166 N167	E164-E166 VanDerWaalsContact C-N 3.32Å; E164-E166 PolarHBondContact O-N 3.48Å; E164-N167 PolarHBondContact O-N 2.85Å
165	A	29.1	Very low	39.5	Very low	69 Å²	69	116.4 Å²	116.4	57%	0.57	64%	0.641	S	S	*	*	H	α-helix	trans	-63	-32.7	174.9	0	0	0	0	0	113.5	N167 A168	A165-N167 VanDerWaalsContact C-N 3.28Å; A165-N167 PolarHBondContact O-N 3.47Å; A165-A168 PolarHBondContact O-N 3.31Å
166	E	28.8	Very low	42.1	Very low	148 Å²	148	112.7 Å²	112.7	69%	0.692	62%	0.616	S	S	*	*	H	α-helix	trans	-66.1	-26	-177.7	-67.7	-166.3	119.4	0	0	113.7	E164	E164-E166 VanDerWaalsContact C-N 3.32Å; E164-E166 PolarHBondContact O-N 3.48Å
167	N	31.5	Very low	45	Very low	122 Å²	122	107.4 Å²	107.4	65%	0.652	58%	0.581	S	S	*	*	H	α-helix	trans	-88.3	-17.6	178.4	-76.8	-55.2	0	0	0	113.5	E164 A165 K169	E164-N167 PolarHBondContact O-N 2.85Å; A165-N167 VanDerWaalsContact C-N 3.28Å; A165-N167 PolarHBondContact O-N 3.47Å; N167-K169 PolarHBondContact O-N 3.02Å
168	A	30.8	Very low	48.2	Very low	80 Å²	80	101.5 Å²	101.5	66%	0.661	56%	0.559	S	S	*	*	H	α-helix	trans	-76.6	-20.6	-173.3	0	0	0	0	0	114.7	A165	A165-A168 PolarHBondContact O-N 3.31Å
169	K	39.5	Very low	51.1	Low	177 Å²	177	94.3 Å²	94.3	77%	0.77	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139	60.4	-177.9	-70.7	-172.6	-179.8	175.2	0	114.2	N167 L171	N167-K169 PolarHBondContact O-N 3.02Å; K169-L171 PolarHBondContact O-N 3.48Å
170	K	41.3	Very low	54.3	Low	174 Å²	174	93.4 Å²	93.4	76%	0.757	51%	0.508	S	S	*	.			trans	-71.7	72.2	151.7	-79.1	175.4	-178.1	152.4	0	109.7	C172	K170-C172 PolarHBondContact O-N 2.98Å
171	L	49	Very low	57.5	Low	82 Å²	82	89.7 Å²	89.7	43%	0.429	48%	0.476	S	S	.	.			trans	-47.2	130.4	164.3	-85.3	161.6	0	0	0	108.3	K169 I173 N204	K169-L171 PolarHBondContact O-N 3.48Å; L171-I173 PolarHBondContact O-N 3.24Å; L171-N204 HydrophobicContact CD1-CB 3.82Å
172	C	63.5	Low	60.5	Low	62 Å²	62	84.1 Å²	84.1	42%	0.419	44%	0.442	S	S	.	.			trans	-56.9	130.4	-179.7	-172.4	0	0	0	0	108.7	K170 F174 T175 A176	K170-C172 PolarHBondContact O-N 2.98Å; C172-F174 PolarHBondContact O-N 2.85Å; C172-T175 WeakPolarHBondContact O-CA 3.15Å; C172-T175 VanDerWaalsContact O-CB 3.25Å; C172-T175 WeakPolarHBondContact O-CB 3.24Å; C172-T175 PolarHBondContact O-N 2.72Å; C172-T175 PolarHBondContact O-OG1 3.06Å; C172-A176 PolarHBondContact O-N 2.84Å
173	I	76.4	Confident	63.6	Low	71 Å²	71	85.6 Å²	85.6	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-60.3	-27.6	-171.7	-167.5	56.5	0	0	0	112.2	L171 A176 I177 A206 F210	L171-I173 PolarHBondContact O-N 3.24Å; I173-A176 HydrophobicContact CD1-CB 4.37Å; I173-A176 PolarHBondContact O-N 3.07Å; I173-I177 WeakPolarHBondContact O-CG1 3.49Å; I173-I177 PolarHBondContact O-N 2.71Å; I173-A206 HydrophobicContact CD1-CB 4.05Å; I173-F210 HydrophobicContact CD1-CD1 4.02Å; I173-F210 HydrophobicContact CD1-CD2 4.41Å; I173-F210 HydrophobicContact CD1-CE1 3.62Å; I173-F210 HydrophobicContact CD1-CE2 4.05Å; I173-F210 HydrophobicContact CD1-CG 4.4Å; I173-F210 HydrophobicContact CD1-CZ 3.66Å; I173-F210 HydrophobicContact CG1-CE1 3.7Å; I173-F210 HydrophobicContact CG1-CE2 3.88Å; I173-F210 HydrophobicContact CG1-CZ 3.32Å
174	F	73.1	Confident	66.8	Low	79 Å²	79	81.3 Å²	81.3	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-62.7	-36.7	171.3	-66.5	-61.9	0	0	0	113.3	C172 K178	C172-F174 PolarHBondContact O-N 2.85Å; F174-K178 WeakPolarHBondContact O-CB 3.34Å; F174-K178 PolarHBondContact O-N 2.88Å; F174-K178 VanDerWaalsContact O-N 3.07Å
175	T	77.8	Confident	70.1	Confident	81 Å²	81	73.3 Å²	73.3	50%	0.497	39%	0.39	S	S	.	.	H	α-helix	trans	-67.1	-43.2	173.4	-47.3	0	0	0	0	110.9	C172 I177 K178	C172-T175 WeakPolarHBondContact O-CA 3.15Å; C172-T175 VanDerWaalsContact O-CB 3.25Å; C172-T175 WeakPolarHBondContact O-CB 3.24Å; C172-T175 PolarHBondContact O-N 2.72Å; C172-T175 PolarHBondContact O-OG1 3.06Å; T175-I177 PolarHBondContact O-N 2.58Å; T175-K178 PolarHBondContact O-N 3.5Å
176	A	81.9	Confident	73.4	Confident	10 Å²	10	71.8 Å²	71.8	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-9.5	-178.9	0	0	0	0	0	114.5	C172 I173 N204 A206	C172-A176 PolarHBondContact O-N 2.84Å; I173-A176 HydrophobicContact CD1-CB 4.37Å; I173-A176 PolarHBondContact O-N 3.07Å; A176-N204 VanDerWaalsContact CA-O 3.23Å; A176-N204 WeakPolarHBondContact CA-O 3.44Å; A176-N204 WeakPolarHBondContact CB-O 3.42Å; A176-A206 HydrophobicContact CB-CB 4.19Å; A176-A206 PolarHBondContact O-N 3.02Å
177	I	88.3	Confident	76.7	Confident	2 Å²	2	69 Å²	69	1%	0.01	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	5.3	172.1	70.6	-176.7	0	0	0	113	I173 T175 A206 F210 L211 R410 F421	I173-I177 WeakPolarHBondContact O-CG1 3.49Å; I173-I177 PolarHBondContact O-N 2.71Å; T175-I177 PolarHBondContact O-N 2.58Å; I177-A206 HydrophobicContact CG2-CB 3.8Å; I177-F210 HydrophobicContact CG2-CE1 4.31Å; I177-L211 HydrophobicContact CG2-CD2 4.29Å; I177-R410 HydrophobicContact CD1-CG 4.4Å; I177-R410 HydrophobicContact CG1-CG 4.49Å; I177-R410 WeakPolarHBondContact O-CB 3.44Å; I177-F421 HydrophobicContact CD1-CD1 4.04Å; I177-F421 HydrophobicContact CD1-CD2 4.48Å; I177-F421 HydrophobicContact CD1-CE1 3.46Å; I177-F421 VanDerWaalsContact CD1-CE1 3.46Å; I177-F421 HydrophobicContact CD1-CE2 4Å; I177-F421 HydrophobicContact CD1-CZ 3.45Å; I177-F421 VanDerWaalsContact CD1-CZ 3.45Å; I177-F421 HydrophobicContact CG2-CE2 4.34Å
178	K	90.6	Very high	79.9	Confident	58 Å²	58	67 Å²	67	25%	0.252	35%	0.345	S	S	.	.	S	Bend	trans	-89	122.4	173.3	-178.5	176.6	176.8	-178.2	0	108.4	F174 T175 D280 L282	F174-K178 WeakPolarHBondContact O-CB 3.34Å; F174-K178 PolarHBondContact O-N 2.88Å; F174-K178 VanDerWaalsContact O-N 3.07Å; T175-K178 PolarHBondContact O-N 3.5Å; K178-D280 PolarHBondContact NZ-O 3.32Å; K178-D280 IonicContact NZ-OD1 3.17Å; K178-D280 PolarHBondContact NZ-OD1 3.33Å; K178-D280 IonicContact NZ-OD2 3.54Å; K178-D280 PolarHBondContact NZ-OD2 3.47Å; K178-L282 HydrophobicContact CG-CD1 4.15Å
179	P	94.2	Very high	83.1	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.026	31%	0.314	C	S	.	.			trans	-63.2	144.1	173.6	-15.2	27.4	0	0	0	110.4	N181 V182 F200 E201 Y202	P179-N181 VanDerWaalsContact C-N 3.33Å; P179-V182 HydrophobicContact CB-CG2 3.7Å; P179-V182 HydrophobicContact CG-CG2 3.83Å; P179-F200 HydrophobicContact CB-CB 3.93Å; P179-F200 HydrophobicContact CB-CD1 4.06Å; P179-F200 HydrophobicContact CB-CG 4Å; P179-F200 HydrophobicContact CG-CB 3.98Å; P179-F200 HydrophobicContact CG-CD1 4Å; P179-F200 HydrophobicContact CG-CD2 3.93Å; P179-F200 HydrophobicContact CG-CE1 4.49Å; P179-F200 HydrophobicContact CG-CE2 4.41Å; P179-F200 HydrophobicContact CG-CG 3.72Å; P179-E201 CarbonylContact C-O 3.5Å; P179-E201 WeakPolarHBondContact CA-O 3.42Å; P179-Y202 HydrophobicContact CB-CD1 4.49Å; P179-Y202 HydrophobicContact CB-CE1 4.05Å; P179-Y202 HydrophobicContact CG-CE1 3.69Å
180	C	94.3	Very high	85.9	Confident	76 Å²	76	57.3 Å²	57.3	51%	0.514	29%	0.289	S	S	.	.	S	Bend	trans	-85.2	-7.8	175.4	58.1	0	0	0	0	113.4	E201	C180-E201 PolarHBondContact N-O 3.15Å; C180-E201 VanDerWaalsContact SG-C 3.59Å; C180-E201 PolarHBondContact SG-O 3.39Å; C180-E201 VanDerWaalsContact SG-O 3.32Å
181	N	96.4	Very high	88.6	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.048	29%	0.287	C	S	.	.			trans	-117.8	17.1	-174	69.9	-14.2	0	0	0	114.3	P179 D183 R184 E185 Q199 E201	P179-N181 VanDerWaalsContact C-N 3.33Å; N181-D183 VanDerWaalsContact C-N 3.34Å; N181-D183 PolarHBondContact O-N 2.99Å; N181-R184 PolarHBondContact ND2-NH2 3.43Å; N181-R184 PolarHBondContact O-N 3.16Å; N181-R184 VanDerWaalsContact O-N 3.15Å; N181-E185 HydrophobicContact CB-CG 4.39Å; N181-E185 WeakPolarHBondContact ND2-CG 3.22Å; N181-E185 WeakPolarHBondContact O-CG 3.43Å; N181-E185 PolarHBondContact O-N 3.34Å; N181-Q199 PolarHBondContact ND2-O 3.23Å; N181-E201 HydrophobicContact CB-CB 4.3Å; N181-E201 WeakPolarHBondContact ND2-CG 3.24Å; N181-E201 PolarHBondContact ND2-N 3.46Å; N181-E201 PolarHBondContact ND2-OE2 2.96Å; N181-E201 PolarHBondContact OD1-N 2.83Å
182	V	95.4	Very high	91	Very high	15 Å²	15	54.3 Å²	54.3	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-48.8	-52.1	-172.6	179.2	0	0	0	0	112.1	P179 R184 E185 K186 W402 V406	P179-V182 HydrophobicContact CB-CG2 3.7Å; P179-V182 HydrophobicContact CG-CG2 3.83Å; V182-R184 PolarHBondContact O-N 3.29Å; V182-E185 PolarHBondContact O-N 2.99Å; V182-K186 VanDerWaalsContact O-CB 3.31Å; V182-K186 WeakPolarHBondContact O-CB 3.18Å; V182-K186 PolarHBondContact O-N 2.94Å; V182-W402 HydrophobicContact CG1-CZ2 4.13Å; V182-V406 HydrophobicContact CG1-CG2 4.31Å
183	D	95.5	Very high	92.6	Very high	111 Å²	111	57.2 Å²	57.2	59%	0.594	29%	0.287	S	S	*	.	H	α-helix	trans	-68.7	-37.3	-174.3	-49.9	-60	0	0	0	112.2	N181 E185 K186 D187	N181-D183 VanDerWaalsContact C-N 3.34Å; N181-D183 PolarHBondContact O-N 2.99Å; D183-E185 VanDerWaalsContact C-N 3.34Å; D183-E185 PolarHBondContact O-N 3.05Å; D183-K186 WeakPolarHBondContact O-CB 3.45Å; D183-K186 PolarHBondContact O-N 3.49Å; D183-D187 WeakPolarHBondContact O-CB 3.43Å; D183-D187 PolarHBondContact O-N 3.13Å
184	R	97.4	Very high	93.6	Very high	109 Å²	109	56 Å²	56	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-38.9	175.1	-167.5	-164.3	73.2	-165	7.1	111.8	N181 V182 K188 E201	N181-R184 PolarHBondContact ND2-NH2 3.43Å; N181-R184 PolarHBondContact O-N 3.16Å; N181-R184 VanDerWaalsContact O-N 3.15Å; V182-R184 PolarHBondContact O-N 3.29Å; R184-K188 WeakPolarHBondContact O-CG 3.45Å; R184-K188 PolarHBondContact O-N 3.21Å; R184-E201 IonicContact CZ-OE1 3.49Å; R184-E201 IonicContact CZ-OE2 3.37Å; R184-E201 IonicContact NH1-OE1 3.39Å; R184-E201 PolarHBondContact NH1-OE1 3.48Å; R184-E201 IonicContact NH1-OE2 2.78Å; R184-E201 PolarHBondContact NH1-OE2 3.11Å; R184-E201 IonicContact NH2-OE1 2.69Å; R184-E201 PolarHBondContact NH2-OE1 2.99Å; R184-E201 IonicContact NH2-OE2 3.2Å; R184-E201 PolarHBondContact NH2-OE2 3.22Å
185	E	98.2	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-77.5	-29.8	175.8	-59.2	-52.4	115.7	0	0	112.5	N181 V182 D183 K188 F189 Y196 P198 Q199 F200 W402	N181-E185 HydrophobicContact CB-CG 4.39Å; N181-E185 WeakPolarHBondContact ND2-CG 3.22Å; N181-E185 WeakPolarHBondContact O-CG 3.43Å; N181-E185 PolarHBondContact O-N 3.34Å; V182-E185 PolarHBondContact O-N 2.99Å; D183-E185 VanDerWaalsContact C-N 3.34Å; D183-E185 PolarHBondContact O-N 3.05Å; E185-K188 VanDerWaalsContact CD-NZ 3.33Å; E185-K188 PolarHBondContact O-N 2.94Å; E185-K188 WeakPolarHBondContact OE1-CE 3.41Å; E185-K188 IonicContact OE1-NZ 3.45Å; E185-K188 PolarHBondContact OE1-NZ 2.99Å; E185-K188 IonicContact OE2-NZ 2.75Å; E185-K188 PolarHBondContact OE2-NZ 2.9Å; E185-F189 VanDerWaalsContact O-CB 3.29Å; E185-F189 WeakPolarHBondContact O-CB 3.47Å; E185-F189 PolarHBondContact O-N 3.06Å; E185-Y196 PolarHBondContact OE2-OH 3.46Å; E185-P198 HydrophobicContact CB-CB 4.07Å; E185-Q199 PolarHBondContact OE2-N 3.49Å; E185-F200 HydrophobicContact CB-CE1 4.4Å; E185-F200 HydrophobicContact CG-CD1 4.39Å; E185-W402 HydrophobicContact CB-CH2 4.22Å
186	K	97.7	Very high	95.7	Very high	38 Å²	38	55.5 Å²	55.5	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-49.8	171.5	-167	174	-170	174.6	0	110.3	V182 D183 K188 F189 F190 W402 D403	V182-K186 VanDerWaalsContact O-CB 3.31Å; V182-K186 WeakPolarHBondContact O-CB 3.18Å; V182-K186 PolarHBondContact O-N 2.94Å; D183-K186 WeakPolarHBondContact O-CB 3.45Å; D183-K186 PolarHBondContact O-N 3.49Å; K186-K188 PolarHBondContact O-N 3.09Å; K186-F189 PolarHBondContact O-N 2.95Å; K186-F189 VanDerWaalsContact O-N 3.11Å; K186-F190 HydrophobicContact CG-CD2 3.91Å; K186-F190 HydrophobicContact CG-CE2 3.77Å; K186-F190 VanDerWaalsContact O-CD2 3.27Å; K186-F190 WeakPolarHBondContact O-CD2 2.78Å; K186-F190 PolarHBondContact O-N 3.26Å; K186-W402 VanDerWaalsContact CA-CH2 3.49Å; K186-W402 HydrophobicContact CB-CD2 4.23Å; K186-W402 HydrophobicContact CB-CH2 4.07Å; K186-W402 HydrophobicContact CB-CZ2 3.53Å; K186-W402 HydrophobicContact CD-CD2 4.32Å; K186-W402 HydrophobicContact CD-CG 4.13Å; K186-W402 VanDerWaalsContact CE-CD1 3.4Å; K186-W402 HydrophobicContact CG-CD2 3.8Å; K186-W402 HydrophobicContact CG-CE3 4.4Å; K186-W402 HydrophobicContact CG-CG 4.06Å; K186-W402 HydrophobicContact CG-CZ2 4.06Å; K186-D403 IonicContact NZ-OD1 3.25Å
187	D	98.2	Very high	96.5	Very high	88 Å²	88	56.6 Å²	56.6	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-52.9	-50.9	174.6	-105.5	34	0	0	0	112.3	D183 F189 K191	D183-D187 WeakPolarHBondContact O-CB 3.43Å; D183-D187 PolarHBondContact O-N 3.13Å; D187-F189 PolarHBondContact O-N 2.87Å; D187-K191 VanDerWaalsContact O-CB 3.24Å; D187-K191 WeakPolarHBondContact O-CB 3.34Å; D187-K191 VanDerWaalsContact O-CD 3.31Å; D187-K191 WeakPolarHBondContact O-CD 3.22Å; D187-K191 WeakPolarHBondContact O-CG 3.43Å; D187-K191 PolarHBondContact O-N 2.8Å; D187-K191 IonicContact OD2-NZ 2.69Å; D187-K191 PolarHBondContact OD2-NZ 3.32Å
188	K	98.4	Very high	96.9	Very high	80 Å²	80	56.5 Å²	56.5	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-46.3	175.4	-69.8	172	-177.7	175.1	0	112	R184 E185 K186 K191 S192 Y196	R184-K188 WeakPolarHBondContact O-CG 3.45Å; R184-K188 PolarHBondContact O-N 3.21Å; E185-K188 VanDerWaalsContact CD-NZ 3.33Å; E185-K188 PolarHBondContact O-N 2.94Å; E185-K188 WeakPolarHBondContact OE1-CE 3.41Å; E185-K188 IonicContact OE1-NZ 3.45Å; E185-K188 PolarHBondContact OE1-NZ 2.99Å; E185-K188 IonicContact OE2-NZ 2.75Å; E185-K188 PolarHBondContact OE2-NZ 2.9Å; K186-K188 PolarHBondContact O-N 3.09Å; K188-K191 PolarHBondContact O-N 3.27Å; K188-S192 VanDerWaalsContact O-CB 3.32Å; K188-S192 WeakPolarHBondContact O-CB 3.39Å; K188-S192 PolarHBondContact O-N 2.74Å; K188-S192 PolarHBondContact O-OG 2.99Å; K188-Y196 HydrophobicContact CB-CD1 4Å; K188-Y196 HydrophobicContact CB-CE1 3.98Å; K188-Y196 HydrophobicContact CD-CE1 3.83Å
189	F	98.6	Very high	97.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-46.3	-176.2	-178.3	-109.6	0	0	0	112.1	E185 K186 D187 S192 F194 Y196 P198 F384 F388 W402	E185-F189 VanDerWaalsContact O-CB 3.29Å; E185-F189 WeakPolarHBondContact O-CB 3.47Å; E185-F189 PolarHBondContact O-N 3.06Å; K186-F189 PolarHBondContact O-N 2.95Å; K186-F189 VanDerWaalsContact O-N 3.11Å; D187-F189 PolarHBondContact O-N 2.87Å; F189-S192 PolarHBondContact O-N 3Å; F189-S192 PolarHBondContact O-OG 2.92Å; F189-F194 AromaticContact CD1-CD1 3.82Å; F189-F194 HydrophobicContact CD1-CD1 3.82Å; F189-F194 HydrophobicContact CE1-CB 4.01Å; F189-F194 AromaticContact CE1-CD1 3.47Å; F189-F194 HydrophobicContact CE1-CD1 3.47Å; F189-F194 VanDerWaalsContact CE1-CD1 3.47Å; F189-F194 HydrophobicContact CE1-CE1 4.39Å; F189-F194 HydrophobicContact CE1-CG 4.18Å; F189-F194 HydrophobicContact CE2-CB 4.1Å; F189-F194 WeakPolarHBondContact CE2-O 3.34Å; F189-F194 HydrophobicContact CZ-CB 3.66Å; F189-F194 HydrophobicContact CZ-CD1 4.05Å; F189-F194 HydrophobicContact CZ-CG 4.32Å; F189-F194 WeakPolarHBondContact O-CA 3.33Å; F189-F194 PolarHBondContact O-N 3.15Å; F189-Y196 WeakPolarHBondContact CD2-O 3.42Å; F189-Y196 WeakPolarHBondContact CE2-O 3.3Å; F189-P198 HydrophobicContact CB-CG 4.43Å; F189-P198 HydrophobicContact CD2-CG 4.28Å; F189-P198 HydrophobicContact CG-CG 4.49Å; F189-F384 HydrophobicContact CD1-CE1 4.44Å; F189-F384 HydrophobicContact CD2-CD1 4.48Å; F189-F384 HydrophobicContact CD2-CE1 4.47Å; F189-F384 HydrophobicContact CE1-CE1 4.08Å; F189-F384 AromaticContact CE2-CD1 3.97Å; F189-F384 HydrophobicContact CE2-CD1 3.97Å; F189-F384 HydrophobicContact CE2-CE1 4.14Å; F189-F384 HydrophobicContact CZ-CD1 4.06Å; F189-F384 AromaticContact CZ-CE1 3.93Å; F189-F384 HydrophobicContact CZ-CE1 3.93Å; F189-F388 HydrophobicContact CE1-CB 4.49Å; F189-F388 AromaticContact CE1-CD1 3.95Å; F189-F388 HydrophobicContact CE1-CD1 3.95Å; F189-F388 AromaticContact CE1-CD2 3.65Å; F189-F388 HydrophobicContact CE1-CD2 3.65Å; F189-F388 HydrophobicContact CE1-CE1 4Å; F189-F388 AromaticContact CE1-CE2 3.69Å; F189-F388 HydrophobicContact CE1-CE2 3.69Å; F189-F388 AromaticContact CE1-CG 3.77Å; F189-F388 HydrophobicContact CE1-CG 3.77Å; F189-F388 AromaticContact CE1-CZ 3.87Å; F189-F388 HydrophobicContact CE1-CZ 3.87Å; F189-F388 HydrophobicContact CZ-CB 3.92Å; F189-F388 AromaticContact CZ-CD1 3.74Å; F189-F388 HydrophobicContact CZ-CD1 3.74Å; F189-F388 AromaticContact CZ-CD2 3.95Å; F189-F388 HydrophobicContact CZ-CD2 3.95Å; F189-F388 HydrophobicContact CZ-CE1 4.2Å; F189-F388 HydrophobicContact CZ-CE2 4.37Å; F189-F388 AromaticContact CZ-CG 3.59Å; F189-F388 HydrophobicContact CZ-CG 3.59Å; F189-F388 HydrophobicContact CZ-CZ 4.49Å; F189-W402 HydrophobicContact CB-CE3 4.22Å; F189-W402 HydrophobicContact CB-CH2 4.25Å; F189-W402 HydrophobicContact CB-CZ3 3.52Å; F189-W402 AromaticContact CD1-CE3 3.39Å; F189-W402 HydrophobicContact CD1-CE3 3.39Å; F189-W402 AromaticContact CD1-CZ3 3.52Å; F189-W402 HydrophobicContact CD1-CZ3 3.52Å; F189-W402 HydrophobicContact CD2-CZ3 4.33Å; F189-W402 AromaticContact CE1-CE3 3.91Å; F189-W402 HydrophobicContact CE1-CE3 3.91Å; F189-W402 HydrophobicContact CE1-CZ3 4.27Å; F189-W402 AromaticContact CG-CE3 3.95Å; F189-W402 HydrophobicContact CG-CE3 3.95Å; F189-W402 AromaticContact CG-CZ3 3.54Å; F189-W402 HydrophobicContact CG-CZ3 3.54Å
190	F	98.4	Very high	97.5	Very high	55 Å²	55	56.5 Å²	56.5	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-68.2	-40.5	176.7	-80	-113.2	0	0	0	111.6	K186 S192 D193 F194 P398 Q399 W402	K186-F190 HydrophobicContact CG-CD2 3.91Å; K186-F190 HydrophobicContact CG-CE2 3.77Å; K186-F190 VanDerWaalsContact O-CD2 3.27Å; K186-F190 WeakPolarHBondContact O-CD2 2.78Å; K186-F190 PolarHBondContact O-N 3.26Å; F190-S192 PolarHBondContact O-N 3.42Å; F190-D193 PolarHBondContact O-N 2.95Å; F190-F194 AromaticContact CD1-CE1 3.77Å; F190-F194 HydrophobicContact CD1-CE1 3.77Å; F190-F194 HydrophobicContact CD1-CZ 4.36Å; F190-F194 HydrophobicContact CD2-CE1 4.28Å; F190-F194 AromaticContact CE1-CE1 3.92Å; F190-F194 HydrophobicContact CE1-CE1 3.92Å; F190-F194 HydrophobicContact CE1-CZ 4.46Å; F190-F194 HydrophobicContact CE2-CE1 4.41Å; F190-F194 AromaticContact CG-CE1 3.98Å; F190-F194 HydrophobicContact CG-CE1 3.98Å; F190-F194 HydrophobicContact CZ-CE1 4.24Å; F190-P398 HydrophobicContact CE1-CB 3.8Å; F190-P398 HydrophobicContact CE1-CG 4.02Å; F190-P398 HydrophobicContact CZ-CB 3.99Å; F190-Q399 VanDerWaalsContact CE1-NE2 3.33Å; F190-W402 HydrophobicContact CE2-CB 4.11Å; F190-W402 HydrophobicContact CE2-CD2 4.4Å; F190-W402 HydrophobicContact CE2-CE3 4.33Å; F190-W402 HydrophobicContact CE2-CG 4.31Å; F190-W402 HydrophobicContact CZ-CB 4.39Å
191	K	98.2	Very high	97.6	Very high	163 Å²	163	57 Å²	57	71%	0.709	28%	0.277	S	S	*	.	H	α-helix	trans	-64.6	-18.4	173.5	-71.4	164.1	-177.3	161.8	0	113.6	D187 K188	D187-K191 VanDerWaalsContact O-CB 3.24Å; D187-K191 WeakPolarHBondContact O-CB 3.34Å; D187-K191 VanDerWaalsContact O-CD 3.31Å; D187-K191 WeakPolarHBondContact O-CD 3.22Å; D187-K191 WeakPolarHBondContact O-CG 3.43Å; D187-K191 PolarHBondContact O-N 2.8Å; D187-K191 IonicContact OD2-NZ 2.69Å; D187-K191 PolarHBondContact OD2-NZ 3.32Å; K188-K191 PolarHBondContact O-N 3.27Å
192	S	97.8	Very high	97.5	Very high	30 Å²	30	58 Å²	58	21%	0.21	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.6	178.3	77.3	0	0	0	0	115	K188 F189 F190 F194 S195 Y196	K188-S192 VanDerWaalsContact O-CB 3.32Å; K188-S192 WeakPolarHBondContact O-CB 3.39Å; K188-S192 PolarHBondContact O-N 2.74Å; K188-S192 PolarHBondContact O-OG 2.99Å; F189-S192 PolarHBondContact O-N 3Å; F189-S192 PolarHBondContact O-OG 2.92Å; F190-S192 PolarHBondContact O-N 3.42Å; S192-F194 PolarHBondContact O-N 3.47Å; S192-S195 VanDerWaalsContact O-CB 3.31Å; S192-S195 WeakPolarHBondContact O-CB 3.32Å; S192-S195 PolarHBondContact O-N 2.86Å; S192-S195 VanDerWaalsContact O-N 3.17Å; S192-S195 PolarHBondContact O-OG 3.3Å; S192-S195 PolarHBondContact OG-N 2.82Å; S192-Y196 VanDerWaalsContact OG-CB 3.24Å; S192-Y196 WeakPolarHBondContact OG-CB 3.28Å; S192-Y196 PolarHBondContact OG-N 3.23Å; S192-Y196 VanDerWaalsContact OG-N 3.08Å
193	D	97.4	Very high	97.3	Very high	123 Å²	123	61.6 Å²	61.6	66%	0.658	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	49.6	-165.5	-170.5	33.5	0	0	0	112.2	F190 S195	F190-D193 PolarHBondContact O-N 2.95Å; D193-S195 PolarHBondContact O-N 3.16Å
194	F	97.9	Very high	96.9	Very high	46 Å²	46	60.7 Å²	60.7	20%	0.202	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	17.6	177.8	-40	-62.1	0	0	0	114.9	F189 F190 S192 T385 F388 P398	F189-F194 AromaticContact CD1-CD1 3.82Å; F189-F194 HydrophobicContact CD1-CD1 3.82Å; F189-F194 HydrophobicContact CE1-CB 4.01Å; F189-F194 AromaticContact CE1-CD1 3.47Å; F189-F194 HydrophobicContact CE1-CD1 3.47Å; F189-F194 VanDerWaalsContact CE1-CD1 3.47Å; F189-F194 HydrophobicContact CE1-CE1 4.39Å; F189-F194 HydrophobicContact CE1-CG 4.18Å; F189-F194 HydrophobicContact CE2-CB 4.1Å; F189-F194 WeakPolarHBondContact CE2-O 3.34Å; F189-F194 HydrophobicContact CZ-CB 3.66Å; F189-F194 HydrophobicContact CZ-CD1 4.05Å; F189-F194 HydrophobicContact CZ-CG 4.32Å; F189-F194 WeakPolarHBondContact O-CA 3.33Å; F189-F194 PolarHBondContact O-N 3.15Å; F190-F194 AromaticContact CD1-CE1 3.77Å; F190-F194 HydrophobicContact CD1-CE1 3.77Å; F190-F194 HydrophobicContact CD1-CZ 4.36Å; F190-F194 HydrophobicContact CD2-CE1 4.28Å; F190-F194 AromaticContact CE1-CE1 3.92Å; F190-F194 HydrophobicContact CE1-CE1 3.92Å; F190-F194 HydrophobicContact CE1-CZ 4.46Å; F190-F194 HydrophobicContact CE2-CE1 4.41Å; F190-F194 AromaticContact CG-CE1 3.98Å; F190-F194 HydrophobicContact CG-CE1 3.98Å; F190-F194 HydrophobicContact CZ-CE1 4.24Å; S192-F194 PolarHBondContact O-N 3.47Å; F194-T385 WeakPolarHBondContact O-CG2 3.13Å; F194-F388 HydrophobicContact CB-CD1 3.99Å; F194-F388 HydrophobicContact CB-CE1 3.81Å; F194-F388 HydrophobicContact CD1-CD1 4.3Å; F194-F388 AromaticContact CD1-CE1 3.43Å; F194-F388 HydrophobicContact CD1-CE1 3.43Å; F194-F388 VanDerWaalsContact CD1-CE1 3.43Å; F194-F388 AromaticContact CD1-CZ 3.56Å; F194-F388 HydrophobicContact CD1-CZ 3.56Å; F194-F388 AromaticContact CD2-CE1 3.84Å; F194-F388 HydrophobicContact CD2-CE1 3.84Å; F194-F388 AromaticContact CE1-CE1 3.86Å; F194-F388 HydrophobicContact CE1-CE1 3.86Å; F194-F388 AromaticContact CE1-CZ 3.62Å; F194-F388 HydrophobicContact CE1-CZ 3.62Å; F194-F388 HydrophobicContact CE2-CE1 4.24Å; F194-F388 HydrophobicContact CG-CD1 4.09Å; F194-F388 AromaticContact CG-CE1 3.39Å; F194-F388 HydrophobicContact CG-CE1 3.39Å; F194-F388 HydrophobicContact CG-CZ 4.03Å; F194-F388 HydrophobicContact CZ-CE1 4.24Å; F194-F388 HydrophobicContact CZ-CZ 4.16Å; F194-P398 HydrophobicContact CE1-CB 4Å; F194-P398 HydrophobicContact CZ-CB 3.8Å; F194-P398 HydrophobicContact CZ-CG 4.44Å
195	S	97.3	Very high	96.5	Very high	74 Å²	74	59.8 Å²	59.8	52%	0.517	31%	0.31	S	S	.	.			trans	-84.8	-28.9	-178.3	67	0	0	0	0	113.8	S192 D193 T385	S192-S195 VanDerWaalsContact O-CB 3.31Å; S192-S195 WeakPolarHBondContact O-CB 3.32Å; S192-S195 PolarHBondContact O-N 2.86Å; S192-S195 VanDerWaalsContact O-N 3.17Å; S192-S195 PolarHBondContact O-OG 3.3Å; S192-S195 PolarHBondContact OG-N 2.82Å; D193-S195 PolarHBondContact O-N 3.16Å; S195-T385 PolarHBondContact O-OG1 2.79Å
196	Y	97.2	Very high	96.1	Very high	75 Å²	75	60.4 Å²	60.4	29%	0.294	32%	0.315	S	S	.	.	S	Bend	trans	-69.5	155.1	178.1	179.8	-123.5	0	0	0	112.8	E185 K188 F189 S192 Q199 T385	E185-Y196 PolarHBondContact OE2-OH 3.46Å; K188-Y196 HydrophobicContact CB-CD1 4Å; K188-Y196 HydrophobicContact CB-CE1 3.98Å; K188-Y196 HydrophobicContact CD-CE1 3.83Å; F189-Y196 WeakPolarHBondContact CD2-O 3.42Å; F189-Y196 WeakPolarHBondContact CE2-O 3.3Å; S192-Y196 VanDerWaalsContact OG-CB 3.24Å; S192-Y196 WeakPolarHBondContact OG-CB 3.28Å; S192-Y196 PolarHBondContact OG-N 3.23Å; S192-Y196 VanDerWaalsContact OG-N 3.08Å; Y196-Q199 WeakPolarHBondContact OH-CG 3.34Å; Y196-T385 PolarHBondContact O-OG1 3.48Å
197	N	98.4	Very high	95.7	Very high	33 Å²	33	62.4 Å²	62.4	18%	0.176	33%	0.334	C	S	.	.			trans	-109.8	111	166.7	-77.7	-89.6	0	0	0	109.4	Q199 S383 F384 T385 A416	N197-Q199 PolarHBondContact O-NE2 3.34Å; N197-S383 WeakPolarHBondContact OD1-CB 3.26Å; N197-S383 PolarHBondContact OD1-OG 3.05Å; N197-F384 PolarHBondContact OD1-N 3.26Å; N197-F384 VanDerWaalsContact OD1-N 3.14Å; N197-T385 PolarHBondContact ND2-OG1 2.95Å; N197-T385 PolarHBondContact OD1-N 2.72Å; N197-T385 VanDerWaalsContact OD1-N 3.07Å; N197-T385 PolarHBondContact OD1-OG1 3.38Å; N197-A416 HydrophobicContact CB-CB 3.81Å
198	P	98.4	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.343	C	S	.	.			trans	-44.6	141	178.9	-34	38.3	0	0	0	114.6	E185 F189 F200 F384 W402 T415	E185-P198 HydrophobicContact CB-CB 4.07Å; F189-P198 HydrophobicContact CB-CG 4.43Å; F189-P198 HydrophobicContact CD2-CG 4.28Å; F189-P198 HydrophobicContact CG-CG 4.49Å; P198-F200 HydrophobicContact CB-CD1 4.14Å; P198-F200 HydrophobicContact CB-CE1 3.62Å; P198-F200 HydrophobicContact CB-CZ 3.99Å; P198-F384 HydrophobicContact CG-CD1 3.86Å; P198-F384 HydrophobicContact CG-CD2 4.21Å; P198-F384 HydrophobicContact CG-CE1 3.88Å; P198-F384 HydrophobicContact CG-CE2 4.24Å; P198-F384 HydrophobicContact CG-CG 4.05Å; P198-F384 HydrophobicContact CG-CZ 4.08Å; P198-W402 HydrophobicContact CB-CH2 4.05Å; P198-W402 HydrophobicContact CB-CZ3 4.48Å; P198-W402 HydrophobicContact CG-CH2 3.48Å; P198-W402 VanDerWaalsContact CG-CH2 3.48Å; P198-W402 HydrophobicContact CG-CZ3 3.45Å; P198-W402 VanDerWaalsContact CG-CZ3 3.45Å; P198-T415 HydrophobicContact CB-CG2 4.46Å; P198-T415 WeakPolarHBondContact O-CB 3.28Å; P198-T415 VanDerWaalsContact O-CG2 3.28Å; P198-T415 WeakPolarHBondContact O-CG2 3.45Å; P198-T415 PolarHBondContact O-N 2.92Å; P198-T415 PolarHBondContact O-OG1 3.28Å
199	Q	98.2	Very high	95.1	Very high	61 Å²	61	60.3 Å²	60.3	29%	0.285	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-112.7	102.2	175.2	-59.8	-60.6	-58.6	0	0	109	N181 E185 Y196 N197 T413 N414	N181-Q199 PolarHBondContact ND2-O 3.23Å; E185-Q199 PolarHBondContact OE2-N 3.49Å; Y196-Q199 WeakPolarHBondContact OH-CG 3.34Å; N197-Q199 PolarHBondContact O-NE2 3.34Å; Q199-T413 WeakPolarHBondContact CA-O 3.47Å; Q199-N414 PolarHBondContact NE2-OD1 3.08Å; Q199-N414 VanDerWaalsContact OE1-CA 3.31Å; Q199-N414 PolarHBondContact OE1-OD1 3.29Å
200	F	97.6	Very high	94.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.357	C	S	.	.			trans	-85.3	124.6	-170.5	-69.1	-29.3	0	0	0	112.8	P179 E185 P198 Y202 F384 W402 V406 K409 Q412 T413 T415	P179-F200 HydrophobicContact CB-CB 3.93Å; P179-F200 HydrophobicContact CB-CD1 4.06Å; P179-F200 HydrophobicContact CB-CG 4Å; P179-F200 HydrophobicContact CG-CB 3.98Å; P179-F200 HydrophobicContact CG-CD1 4Å; P179-F200 HydrophobicContact CG-CD2 3.93Å; P179-F200 HydrophobicContact CG-CE1 4.49Å; P179-F200 HydrophobicContact CG-CE2 4.41Å; P179-F200 HydrophobicContact CG-CG 3.72Å; E185-F200 HydrophobicContact CB-CE1 4.4Å; E185-F200 HydrophobicContact CG-CD1 4.39Å; P198-F200 HydrophobicContact CB-CD1 4.14Å; P198-F200 HydrophobicContact CB-CE1 3.62Å; P198-F200 HydrophobicContact CB-CZ 3.99Å; F200-Y202 HydrophobicContact CB-CE2 3.71Å; F200-Y202 WeakPolarHBondContact CB-OH 3.34Å; F200-Y202 WeakPolarHBondContact O-CE2 3.37Å; F200-F384 HydrophobicContact CE2-CD2 4.48Å; F200-F384 HydrophobicContact CE2-CE2 4.22Å; F200-F384 HydrophobicContact CZ-CD2 4.3Å; F200-F384 AromaticContact CZ-CE2 3.75Å; F200-F384 HydrophobicContact CZ-CE2 3.75Å; F200-W402 HydrophobicContact CE1-CH2 4.34Å; F200-W402 HydrophobicContact CE1-CZ2 4.36Å; F200-V406 HydrophobicContact CZ-CG2 3.96Å; F200-K409 HydrophobicContact CE2-CB 4.23Å; F200-Q412 WeakPolarHBondContact CB-O 3.46Å; F200-T413 PolarHBondContact N-O 3.17Å; F200-T413 WeakPolarHBondContact O-CA 3.24Å; F200-T413 WeakPolarHBondContact O-CB 3.35Å; F200-T413 WeakPolarHBondContact O-CG2 3.49Å; F200-T413 PolarHBondContact O-OG1 2.98Å; F200-T415 HydrophobicContact CD2-CG2 3.4Å; F200-T415 HydrophobicContact CE2-CG2 3.48Å; F200-T415 VanDerWaalsContact CE2-CG2 3.48Å; F200-T415 HydrophobicContact CG-CG2 4.04Å; F200-T415 HydrophobicContact CZ-CG2 4.17Å
201	E	96.8	Very high	94.5	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.402	36%	0.356	S	S	.	.			trans	-96	143.8	174.2	-72.1	151	-158.6	0	0	109.9	P179 C180 N181 R184	P179-E201 CarbonylContact C-O 3.5Å; P179-E201 WeakPolarHBondContact CA-O 3.42Å; C180-E201 PolarHBondContact N-O 3.15Å; C180-E201 VanDerWaalsContact SG-C 3.59Å; C180-E201 PolarHBondContact SG-O 3.39Å; C180-E201 VanDerWaalsContact SG-O 3.32Å; N181-E201 HydrophobicContact CB-CB 4.3Å; N181-E201 WeakPolarHBondContact ND2-CG 3.24Å; N181-E201 PolarHBondContact ND2-N 3.46Å; N181-E201 PolarHBondContact ND2-OE2 2.96Å; N181-E201 PolarHBondContact OD1-N 2.83Å; R184-E201 IonicContact CZ-OE1 3.49Å; R184-E201 IonicContact CZ-OE2 3.37Å; R184-E201 IonicContact NH1-OE1 3.39Å; R184-E201 PolarHBondContact NH1-OE1 3.48Å; R184-E201 IonicContact NH1-OE2 2.78Å; R184-E201 PolarHBondContact NH1-OE2 3.11Å; R184-E201 IonicContact NH2-OE1 2.69Å; R184-E201 PolarHBondContact NH2-OE1 2.99Å; R184-E201 IonicContact NH2-OE2 3.2Å; R184-E201 PolarHBondContact NH2-OE2 3.22Å
202	Y	94.7	Very high	94.3	Very high	31 Å²	31	56.6 Å²	56.6	12%	0.122	34%	0.343	C	S	.	.			trans	-134.4	121.9	179.5	-56.4	-93	0	0	0	109.2	P179 F200 N204 G411 Q412	P179-Y202 HydrophobicContact CB-CD1 4.49Å; P179-Y202 HydrophobicContact CB-CE1 4.05Å; P179-Y202 HydrophobicContact CG-CE1 3.69Å; F200-Y202 HydrophobicContact CB-CE2 3.71Å; F200-Y202 WeakPolarHBondContact CB-OH 3.34Å; F200-Y202 WeakPolarHBondContact O-CE2 3.37Å; Y202-N204 VanDerWaalsContact C-N 3.27Å; Y202-N204 PolarHBondContact O-N 3.3Å; Y202-G411 PolarHBondContact OH-N 3.47Å; Y202-Q412 WeakPolarHBondContact CE2-O 3.41Å; Y202-Q412 PolarHBondContact OH-N 3.09Å; Y202-Q412 PolarHBondContact OH-O 3.49Å
203	S	90.7	Very high	94.1	Very high	91 Å²	91	64.1 Å²	64.1	64%	0.636	37%	0.367	S	S	*	.	S	Bend	trans	-69	-24.9	-178.4	-42.2	0	0	0	0	113.6
204	N	88.1	Confident	93.9	Very high	92 Å²	92	60.3 Å²	60.3	49%	0.492	35%	0.345	S	S	.	.	S	Bend	trans	-146.3	78	177.1	-67.2	-88.7	0	0	0	108.8	L171 A176 Y202	L171-N204 HydrophobicContact CD1-CB 3.82Å; A176-N204 VanDerWaalsContact CA-O 3.23Å; A176-N204 WeakPolarHBondContact CA-O 3.44Å; A176-N204 WeakPolarHBondContact CB-O 3.42Å; Y202-N204 VanDerWaalsContact C-N 3.27Å; Y202-N204 PolarHBondContact O-N 3.3Å
205	P	88.1	Confident	93.7	Very high	90 Å²	90	60.5 Å²	60.5	58%	0.584	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-65.6	143.2	-173.1	26.1	-33.9	0	0	0	112.7
206	A	89.2	Confident	93.5	Very high	12 Å²	12	63.2 Å²	63.2	10%	0.099	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.9	148.9	169.1	0	0	0	0	0	111.5	I173 A176 I177 F210 L211	I173-A206 HydrophobicContact CD1-CB 4.05Å; A176-A206 HydrophobicContact CB-CB 4.19Å; A176-A206 PolarHBondContact O-N 3.02Å; I177-A206 HydrophobicContact CG2-CB 3.8Å; A206-F210 HydrophobicContact CB-CD1 3.77Å; A206-F210 HydrophobicContact CB-CE1 4.29Å; A206-L211 HydrophobicContact CB-CD2 4.16Å; A206-L211 HydrophobicContact CB-CG 4.25Å; A206-L211 WeakPolarHBondContact O-CD1 3.47Å
207	S	90.9	Very high	93.5	Very high	81 Å²	81	60.8 Å²	60.8	57%	0.566	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-65.6	147.6	-174.1	66.5	0	0	0	0	112.9	G209 F210 L211	S207-G209 VanDerWaalsContact C-N 3.25Å; S207-G209 PolarHBondContact O-N 3.24Å; S207-F210 WeakPolarHBondContact O-CA 3.5Å; S207-F210 WeakPolarHBondContact O-CB 3.23Å; S207-F210 PolarHBondContact O-N 3.41Å; S207-L211 PolarHBondContact O-N 3.45Å
208	A	91.6	Very high	93.4	Very high	81 Å²	81	61.5 Å²	61.5	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-54.8	-40.5	-179.1	0	0	0	0	0	112.7	F210 L211 A212	A208-F210 VanDerWaalsContact C-N 3.27Å; A208-F210 PolarHBondContact O-N 2.87Å; A208-L211 PolarHBondContact O-N 2.87Å; A208-A212 WeakPolarHBondContact O-CB 3.4Å; A208-A212 PolarHBondContact O-N 2.91Å
209	G	92.6	Very high	93.3	Very high	42 Å²	42	64.9 Å²	64.9	43%	0.433	38%	0.379	S	S	.	.	H	α-helix	trans	-71.9	-10.9	175.4	0	0	0	0	0	115.2	S207 R213	S207-G209 VanDerWaalsContact C-N 3.25Å; S207-G209 PolarHBondContact O-N 3.24Å; G209-R213 PolarHBondContact O-NE 3.21Å; G209-R213 PolarHBondContact O-NH2 3.37Å
210	F	91.6	Very high	93.3	Very high	47 Å²	47	67.5 Å²	67.5	21%	0.206	39%	0.386	C	S	.	.	H	α-helix	trans	-88.1	-45.7	165.6	172.2	-90.3	0	0	0	110.7	I173 I177 A206 S207 A208 A212 R213 H214 F421	I173-F210 HydrophobicContact CD1-CD1 4.02Å; I173-F210 HydrophobicContact CD1-CD2 4.41Å; I173-F210 HydrophobicContact CD1-CE1 3.62Å; I173-F210 HydrophobicContact CD1-CE2 4.05Å; I173-F210 HydrophobicContact CD1-CG 4.4Å; I173-F210 HydrophobicContact CD1-CZ 3.66Å; I173-F210 HydrophobicContact CG1-CE1 3.7Å; I173-F210 HydrophobicContact CG1-CE2 3.88Å; I173-F210 HydrophobicContact CG1-CZ 3.32Å; I177-F210 HydrophobicContact CG2-CE1 4.31Å; A206-F210 HydrophobicContact CB-CD1 3.77Å; A206-F210 HydrophobicContact CB-CE1 4.29Å; S207-F210 WeakPolarHBondContact O-CA 3.5Å; S207-F210 WeakPolarHBondContact O-CB 3.23Å; S207-F210 PolarHBondContact O-N 3.41Å; A208-F210 VanDerWaalsContact C-N 3.27Å; A208-F210 PolarHBondContact O-N 2.87Å; F210-A212 PolarHBondContact O-N 3.46Å; F210-R213 PolarHBondContact O-N 3.05Å; F210-H214 AromaticContact CD2-CE1 3.83Å; F210-H214 AromaticContact CE1-CE1 3.88Å; F210-H214 AromaticContact CE1-ND1 3.82Å; F210-H214 AromaticContact CE2-CE1 3.26Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.42Å; F210-H214 AromaticContact CE2-ND1 3.93Å; F210-H214 AromaticContact CZ-CE1 3.27Å; F210-H214 WeakPolarHBondContact CZ-CE1 3.27Å; F210-H214 AromaticContact CZ-ND1 3.71Å; F210-H214 AromaticContact CZ-NE2 3.85Å; F210-H214 PolarHBondContact O-ND1 2.84Å; F210-F421 AromaticContact CE1-CE2 3.7Å; F210-F421 HydrophobicContact CE1-CE2 3.7Å; F210-F421 HydrophobicContact CE1-CZ 4.04Å; F210-F421 HydrophobicContact CZ-CE2 4.23Å; F210-F421 HydrophobicContact CZ-CZ 4.16Å
211	L	92.9	Very high	93.3	Very high	41 Å²	41	67.5 Å²	67.5	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-43.6	179.7	-67.8	172.3	0	0	0	112	I177 A206 S207 A208 R213 H214 N215 G411	I177-L211 HydrophobicContact CG2-CD2 4.29Å; A206-L211 HydrophobicContact CB-CD2 4.16Å; A206-L211 HydrophobicContact CB-CG 4.25Å; A206-L211 WeakPolarHBondContact O-CD1 3.47Å; S207-L211 PolarHBondContact O-N 3.45Å; A208-L211 PolarHBondContact O-N 2.87Å; L211-R213 VanDerWaalsContact C-N 3.3Å; L211-R213 PolarHBondContact O-N 3.04Å; L211-H214 CarbonylContact O-C 3.46Å; L211-H214 PolarHBondContact O-N 3.34Å; L211-N215 PolarHBondContact O-N 2.8Å; L211-N215 VanDerWaalsContact O-N 3.15Å; L211-G411 WeakPolarHBondContact CD1-O 3.26Å
212	A	93.6	Very high	93.4	Very high	53 Å²	53	65.1 Å²	65.1	44%	0.438	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-55.5	-42.7	176.7	0	0	0	0	0	112.4	A208 F210 H214 N215 H216	A208-A212 WeakPolarHBondContact O-CB 3.4Å; A208-A212 PolarHBondContact O-N 2.91Å; F210-A212 PolarHBondContact O-N 3.46Å; A212-H214 PolarHBondContact O-N 3.15Å; A212-H214 VanDerWaalsContact O-N 3.16Å; A212-N215 PolarHBondContact O-N 2.74Å; A212-H216 PolarHBondContact O-CD2 3.36Å; A212-H216 VanDerWaalsContact O-CD2 3.28Å
213	R	92.3	Very high	93.6	Very high	187 Å²	187	66.7 Å²	66.7	71%	0.706	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-62.9	-19.6	176.7	-83.3	-179.9	-86.3	-167.5	-9.8	114	G209 F210 L211	G209-R213 PolarHBondContact O-NE 3.21Å; G209-R213 PolarHBondContact O-NH2 3.37Å; F210-R213 PolarHBondContact O-N 3.05Å; L211-R213 VanDerWaalsContact C-N 3.3Å; L211-R213 PolarHBondContact O-N 3.04Å
214	H	93.5	Very high	93.9	Very high	44 Å²	44	63.1 Å²	63.1	20%	0.204	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-103.7	2.1	176.2	-61.9	81.2	0	0	0	112.7	F210 L211 A212 H216 F421 S422	F210-H214 AromaticContact CD2-CE1 3.83Å; F210-H214 AromaticContact CE1-CE1 3.88Å; F210-H214 AromaticContact CE1-ND1 3.82Å; F210-H214 AromaticContact CE2-CE1 3.26Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.42Å; F210-H214 AromaticContact CE2-ND1 3.93Å; F210-H214 AromaticContact CZ-CE1 3.27Å; F210-H214 WeakPolarHBondContact CZ-CE1 3.27Å; F210-H214 AromaticContact CZ-ND1 3.71Å; F210-H214 AromaticContact CZ-NE2 3.85Å; F210-H214 PolarHBondContact O-ND1 2.84Å; L211-H214 CarbonylContact O-C 3.46Å; L211-H214 PolarHBondContact O-N 3.34Å; A212-H214 PolarHBondContact O-N 3.15Å; A212-H214 VanDerWaalsContact O-N 3.16Å; H214-H216 VanDerWaalsContact C-N 3.25Å; H214-H216 PolarHBondContact O-N 2.85Å; H214-F421 HydrophobicContact CB-CD2 3.59Å; H214-F421 HydrophobicContact CB-CE2 3.55Å; H214-F421 HydrophobicContact CB-CG 4.35Å; H214-F421 HydrophobicContact CB-CZ 4.3Å; H214-F421 AromaticContact CD2-CE2 3.82Å; H214-F421 AromaticContact CD2-CZ 3.72Å; H214-F421 AromaticContact CG-CE2 3.49Å; H214-F421 VanDerWaalsContact CG-CE2 3.49Å; H214-F421 AromaticContact CG-CZ 3.91Å; H214-S422 WeakPolarHBondContact O-CB 3.44Å; H214-S422 PolarHBondContact O-N 3.32Å; H214-S422 PolarHBondContact O-OG 3.28Å
215	N	94.6	Very high	94.5	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.262	35%	0.345	S	S	.	.	S	Bend	trans	-93.2	37.5	177.8	-163.8	17	0	0	0	112.4	L211 A212 R380 G419 C420	L211-N215 PolarHBondContact O-N 2.8Å; L211-N215 VanDerWaalsContact O-N 3.15Å; A212-N215 PolarHBondContact O-N 2.74Å; N215-R380 WeakPolarHBondContact O-CD 3.37Å; N215-R380 PolarHBondContact O-NE 3.12Å; N215-R380 VanDerWaalsContact OD1-CD 3.27Å; N215-R380 WeakPolarHBondContact OD1-CD 3.5Å; N215-R380 PolarHBondContact OD1-NE 3.31Å; N215-G419 WeakPolarHBondContact OD1-CA 3.13Å; N215-C420 WeakPolarHBondContact CA-O 3.49Å; N215-C420 PolarHBondContact OD1-N 2.87Å
216	H	93.7	Very high	95	Very high	131 Å²	131	55.7 Å²	55.7	61%	0.606	33%	0.325	S	S	*	.			trans	-133	119.9	178.3	-64.1	-87.8	0	0	0	108.8	A212 H214 S422	A212-H216 PolarHBondContact O-CD2 3.36Å; A212-H216 VanDerWaalsContact O-CD2 3.28Å; H214-H216 VanDerWaalsContact C-N 3.25Å; H214-H216 PolarHBondContact O-N 2.85Å; H216-S422 WeakPolarHBondContact O-CB 3.4Å; H216-S422 PolarHBondContact O-OG 3.11Å
217	A	95.7	Very high	95.4	Very high	25 Å²	25	57.7 Å²	57.7	21%	0.207	33%	0.334	C	S	.	.			trans	-110.8	137.5	175.1	0	0	0	0	0	110.2	V376 Y377 R380	A217-V376 HydrophobicContact CB-CG1 3.86Å; A217-Y377 HydrophobicContact CB-CD2 4.31Å; A217-R380 HydrophobicContact CB-CB 3.88Å; A217-R380 HydrophobicContact CB-CG 4.21Å
218	S	96.5	Very high	95.8	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	31%	0.308	S	S	.	.			trans	-86.7	147.5	173.2	-175.2	0	0	0	0	110.9	R220 Y373 Y377 Q425	S218-R220 WeakPolarHBondContact OG-CB 3.47Å; S218-R220 PolarHBondContact OG-N 3.11Å; S218-Y373 WeakPolarHBondContact CB-OH 3.41Å; S218-Y373 PolarHBondContact O-OH 2.78Å; S218-Y373 PolarHBondContact OG-OH 2.61Å; S218-Y377 WeakPolarHBondContact O-CD2 3.32Å; S218-Q425 PolarHBondContact O-NE2 3.41Å
219	S	97.2	Very high	96.1	Very high	71 Å²	71	50 Å²	50	50%	0.497	28%	0.276	S	S	.	.			trans	-100.4	-3.9	168.2	53.1	0	0	0	0	113.1	F221 L222	S219-F221 PolarHBondContact O-N 3.22Å; S219-L222 VanDerWaalsContact O-CB 3.23Å; S219-L222 WeakPolarHBondContact O-CB 3.12Å; S219-L222 PolarHBondContact O-N 2.94Å
220	R	97.8	Very high	96.4	Very high	117 Å²	117	51.5 Å²	51.5	44%	0.442	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.1	-169.7	-172.2	178.5	-174.6	173.8	7.4	113.9	S218 Y373 L502 I503	S218-R220 WeakPolarHBondContact OG-CB 3.47Å; S218-R220 PolarHBondContact OG-N 3.11Å; R220-Y373 PolarHBondContact N-OH 2.86Å; R220-L502 PolarHBondContact NE-O 3.45Å; R220-L502 PolarHBondContact NH2-O 3Å; R220-I503 VanDerWaalsContact NH2-CA 3.34Å; R220-I503 PolarHBondContact NH2-O 3.04Å
221	F	98.3	Very high	96.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	20.5	-178.5	-51.4	-63.4	0	0	0	113.3	S219 A223 Q224 A225 Y373 L428 E429 L432 L502 I503	S219-F221 PolarHBondContact O-N 3.22Å; F221-A223 PolarHBondContact O-N 3.27Å; F221-Q224 VanDerWaalsContact CA-OE1 3.31Å; F221-Q224 PolarHBondContact O-N 3.28Å; F221-A225 WeakPolarHBondContact O-CB 3.49Å; F221-A225 PolarHBondContact O-N 2.79Å; F221-Y373 HydrophobicContact CB-CE1 4.07Å; F221-Y373 HydrophobicContact CB-CE2 4.11Å; F221-Y373 AromaticContact CD2-CE2 3.96Å; F221-Y373 HydrophobicContact CD2-CE2 3.96Å; F221-Y373 PolarHBondContact N-OH 2.76Å; F221-L428 HydrophobicContact CB-CD2 4.04Å; F221-E429 HydrophobicContact CD2-CB 4.14Å; F221-E429 HydrophobicContact CE2-CB 3.91Å; F221-E429 HydrophobicContact CE2-CG 3.85Å; F221-L432 HydrophobicContact CB-CD1 3.82Å; F221-L432 HydrophobicContact CD1-CD1 3.49Å; F221-L432 VanDerWaalsContact CD1-CD1 3.49Å; F221-L432 HydrophobicContact CD2-CD1 4.39Å; F221-L432 HydrophobicContact CE1-CD1 4.13Å; F221-L432 HydrophobicContact CG-CD1 3.64Å; F221-L502 HydrophobicContact CD1-CD1 4.45Å; F221-L502 HydrophobicContact CE1-CB 4.12Å; F221-I503 HydrophobicContact CE1-CD1 4.41Å; F221-I503 HydrophobicContact CE1-CG1 3.91Å; F221-I503 HydrophobicContact CZ-CG1 4.02Å
222	L	98.1	Very high	97	Very high	35 Å²	35	48.3 Å²	48.3	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-37.1	-175.7	-175.4	66.5	0	0	0	112.3	S219 A225 V226 Y373 Y374 Y377	S219-L222 VanDerWaalsContact O-CB 3.23Å; S219-L222 WeakPolarHBondContact O-CB 3.12Å; S219-L222 PolarHBondContact O-N 2.94Å; L222-A225 PolarHBondContact O-N 2.96Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 2.9Å; L222-Y373 HydrophobicContact CB-CE1 4.45Å; L222-Y374 HydrophobicContact CD1-CD2 3.81Å; L222-Y377 HydrophobicContact CD1-CD1 3.69Å; L222-Y377 HydrophobicContact CD1-CE1 4.38Å; L222-Y377 HydrophobicContact CD1-CG 4.04Å; L222-Y377 HydrophobicContact CD2-CD1 3.61Å; L222-Y377 HydrophobicContact CD2-CE1 3.42Å; L222-Y377 VanDerWaalsContact CD2-CE1 3.42Å; L222-Y377 HydrophobicContact CD2-CG 4.31Å; L222-Y377 HydrophobicContact CG-CD1 4.3Å
223	A	98.3	Very high	97.2	Very high	65 Å²	65	47.6 Å²	47.6	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-43.7	176.8	0	0	0	0	0	111.3	F221 V226 N227	F221-A223 PolarHBondContact O-N 3.27Å; A223-V226 PolarHBondContact O-N 2.72Å; A223-N227 WeakPolarHBondContact O-CB 3.38Å; A223-N227 PolarHBondContact O-N 3.43Å
224	Q	98.6	Very high	97.5	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-66.8	-42	178.8	-65.5	63.6	40.8	0	0	110.2	F221 V226 N227 I228 L432 L494 E498 L502	F221-Q224 VanDerWaalsContact CA-OE1 3.31Å; F221-Q224 PolarHBondContact O-N 3.28Å; Q224-V226 PolarHBondContact O-N 3.03Å; Q224-N227 PolarHBondContact O-N 3.13Å; Q224-I228 WeakPolarHBondContact O-CB 3.4Å; Q224-I228 WeakPolarHBondContact O-CD1 3.14Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å; Q224-I228 PolarHBondContact O-N 3.01Å; Q224-L432 HydrophobicContact CB-CD1 4.33Å; Q224-L494 HydrophobicContact CG-CD2 4.41Å; Q224-E498 WeakPolarHBondContact CG-OE1 3.36Å; Q224-E498 PolarHBondContact NE2-OE1 3.39Å; Q224-L502 HydrophobicContact CG-CD1 3.88Å
225	A	98.7	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-46	172.8	0	0	0	0	0	112.1	F221 L222 M229 A370 Y373 L428	F221-A225 WeakPolarHBondContact O-CB 3.49Å; F221-A225 PolarHBondContact O-N 2.79Å; L222-A225 PolarHBondContact O-N 2.96Å; A225-M229 WeakPolarHBondContact O-CE 3.29Å; A225-M229 WeakPolarHBondContact O-CG 3.4Å; A225-M229 PolarHBondContact O-N 2.76Å; A225-A370 HydrophobicContact CB-CB 4.27Å; A225-A370 WeakPolarHBondContact O-CB 3.44Å; A225-Y373 HydrophobicContact CB-CD1 4.1Å; A225-L428 HydrophobicContact CB-CD2 3.76Å
226	V	98.7	Very high	97.8	Very high	27 Å²	27	50.3 Å²	50.3	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-46.6	178.1	171.6	0	0	0	0	111.1	L222 A223 Q224 I228 M229 E230 Y374	L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 2.9Å; A223-V226 PolarHBondContact O-N 2.72Å; Q224-V226 PolarHBondContact O-N 3.03Å; V226-I228 PolarHBondContact O-N 2.68Å; V226-M229 HydrophobicContact CG2-CE 4.45Å; V226-M229 PolarHBondContact O-N 3.18Å; V226-M229 VanDerWaalsContact O-N 3.16Å; V226-E230 VanDerWaalsContact CG1-CD 3.44Å; V226-E230 HydrophobicContact CG1-CG 4.09Å; V226-E230 WeakPolarHBondContact CG1-OE1 3.3Å; V226-E230 WeakPolarHBondContact O-CG 3.41Å; V226-E230 PolarHBondContact O-N 3.44Å; V226-Y374 HydrophobicContact CG2-CD2 3.83Å; V226-Y374 HydrophobicContact CG2-CE2 4.07Å
227	N	98.6	Very high	98	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-46.4	178.9	-171.4	31.9	0	0	0	112.1	A223 Q224 M229 E230 L231	A223-N227 WeakPolarHBondContact O-CB 3.38Å; A223-N227 PolarHBondContact O-N 3.43Å; Q224-N227 PolarHBondContact O-N 3.13Å; N227-M229 VanDerWaalsContact C-N 3.26Å; N227-M229 PolarHBondContact O-N 3.28Å; N227-E230 PolarHBondContact O-N 3.27Å; N227-L231 WeakPolarHBondContact O-CB 3.32Å; N227-L231 VanDerWaalsContact O-CG 3.25Å; N227-L231 WeakPolarHBondContact O-CG 3.47Å; N227-L231 PolarHBondContact O-N 2.93Å
228	I	98.8	Very high	98.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-38.3	177.7	-71.8	163.8	0	0	0	111.8	Q224 V226 A232 L366 A370 L428 N492	Q224-I228 WeakPolarHBondContact O-CB 3.4Å; Q224-I228 WeakPolarHBondContact O-CD1 3.14Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å; Q224-I228 PolarHBondContact O-N 3.01Å; V226-I228 PolarHBondContact O-N 2.68Å; I228-A232 PolarHBondContact O-N 3.45Å; I228-L366 HydrophobicContact CD1-CB 4.27Å; I228-L366 HydrophobicContact CD1-CD1 4.32Å; I228-L366 HydrophobicContact CG2-CB 4.05Å; I228-A370 HydrophobicContact CB-CB 3.84Å; I228-A370 HydrophobicContact CD1-CB 4.44Å; I228-A370 HydrophobicContact CG2-CB 3.63Å; I228-L428 HydrophobicContact CD1-CD1 4.06Å; I228-N492 HydrophobicContact CG1-CB 4.22Å
229	M	98.7	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.1	-43.8	175.9	-65.2	-176.1	-65.7	0	0	111.8	A225 V226 N227 L231 A232 L233 W367 A370 L371 Y374 F394	A225-M229 WeakPolarHBondContact O-CE 3.29Å; A225-M229 WeakPolarHBondContact O-CG 3.4Å; A225-M229 PolarHBondContact O-N 2.76Å; V226-M229 HydrophobicContact CG2-CE 4.45Å; V226-M229 PolarHBondContact O-N 3.18Å; V226-M229 VanDerWaalsContact O-N 3.16Å; N227-M229 VanDerWaalsContact C-N 3.26Å; N227-M229 PolarHBondContact O-N 3.28Å; M229-L231 PolarHBondContact O-N 3.32Å; M229-A232 PolarHBondContact O-N 3.12Å; M229-L233 WeakPolarHBondContact O-CG 3.08Å; M229-L233 PolarHBondContact O-N 3.24Å; M229-W367 HydrophobicContact CB-CE3 4.15Å; M229-W367 HydrophobicContact CB-CH2 4.16Å; M229-W367 HydrophobicContact CB-CZ3 3.82Å; M229-W367 HydrophobicContact CG-CD2 4.29Å; M229-W367 HydrophobicContact CG-CE3 4.1Å; M229-W367 HydrophobicContact CG-CH2 4.36Å; M229-W367 HydrophobicContact CG-CZ3 4.15Å; M229-W367 WeakPolarHBondContact O-CZ3 3.41Å; M229-A370 HydrophobicContact CG-CB 4.05Å; M229-L371 VanDerWaalsContact SD-CA 3.6Å; M229-L371 HydrophobicContact SD-CB 3.72Å; M229-L371 HydrophobicContact SD-CD1 3.71Å; M229-L371 HydrophobicContact SD-CG 4.28Å; M229-Y374 HydrophobicContact CE-CD1 4.2Å; M229-Y374 HydrophobicContact CE-CD2 4.15Å; M229-Y374 HydrophobicContact CE-CG 3.77Å; M229-F394 HydrophobicContact CB-CD1 3.67Å; M229-F394 HydrophobicContact CB-CE1 3.83Å; M229-F394 HydrophobicContact CE-CD1 3.99Å; M229-F394 HydrophobicContact CE-CD2 4.22Å; M229-F394 HydrophobicContact CE-CE1 3.74Å; M229-F394 HydrophobicContact CE-CE2 3.99Å; M229-F394 HydrophobicContact CE-CG 4.2Å; M229-F394 HydrophobicContact CE-CZ 3.72Å; M229-F394 HydrophobicContact CG-CD1 4.39Å; M229-F394 HydrophobicContact SD-CB 4.34Å; M229-F394 HydrophobicContact SD-CD1 3.93Å; M229-F394 HydrophobicContact SD-CD2 4.43Å; M229-F394 HydrophobicContact SD-CE1 4.28Å; M229-F394 HydrophobicContact SD-CG 3.99Å
230	E	98.5	Very high	98.2	Very high	72 Å²	72	43 Å²	43	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-66.1	-35.9	-179.4	-71	179.2	176.4	0	0	112.5	V226 N227 L233 K234 R393 F394	V226-E230 VanDerWaalsContact CG1-CD 3.44Å; V226-E230 HydrophobicContact CG1-CG 4.09Å; V226-E230 WeakPolarHBondContact CG1-OE1 3.3Å; V226-E230 WeakPolarHBondContact O-CG 3.41Å; V226-E230 PolarHBondContact O-N 3.44Å; N227-E230 PolarHBondContact O-N 3.27Å; E230-L233 PolarHBondContact O-N 3.13Å; E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.49Å; E230-K234 PolarHBondContact O-N 3.12Å; E230-R393 IonicContact OE1-CZ 3.84Å; E230-R393 IonicContact OE1-NH1 3.42Å; E230-R393 PolarHBondContact OE1-NH1 3.23Å; E230-R393 IonicContact OE1-NH2 3.99Å; E230-R393 PolarHBondContact OE1-NH2 3.2Å; E230-F394 HydrophobicContact CG-CE1 4.24Å
231	L	98.3	Very high	98.2	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-39.5	172.3	-72.8	170.6	0	0	0	112.6	N227 M229 K234 R235 Q493	N227-L231 WeakPolarHBondContact O-CB 3.32Å; N227-L231 VanDerWaalsContact O-CG 3.25Å; N227-L231 WeakPolarHBondContact O-CG 3.47Å; N227-L231 PolarHBondContact O-N 2.93Å; M229-L231 PolarHBondContact O-N 3.32Å; L231-K234 PolarHBondContact O-N 2.87Å; L231-R235 WeakPolarHBondContact O-CB 3.44Å; L231-R235 PolarHBondContact O-N 3.45Å; L231-Q493 HydrophobicContact CD1-CB 3.85Å; L231-Q493 HydrophobicContact CD1-CG 3.79Å; L231-Q493 HydrophobicContact CD2-CG 4.44Å
232	A	97.9	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71	-42.3	176.7	0	0	0	0	0	111.7	I228 M229 K234 R235 Y236 T365 W367	I228-A232 PolarHBondContact O-N 3.45Å; M229-A232 PolarHBondContact O-N 3.12Å; A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 3.37Å; A232-R235 PolarHBondContact O-N 2.84Å; A232-R235 VanDerWaalsContact O-N 3.11Å; A232-Y236 WeakPolarHBondContact O-CB 3.38Å; A232-Y236 WeakPolarHBondContact O-CD2 3.37Å; A232-Y236 PolarHBondContact O-N 3.16Å; A232-T365 HydrophobicContact CB-CG2 3.97Å; A232-W367 HydrophobicContact CB-CE3 3.55Å; A232-W367 HydrophobicContact CB-CZ3 3.79Å
233	L	98.4	Very high	98.2	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.199	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-39.7	171.9	-69.3	177.6	0	0	0	111.4	M229 E230 R235 G237 W367 F394	M229-L233 WeakPolarHBondContact O-CG 3.08Å; M229-L233 PolarHBondContact O-N 3.24Å; E230-L233 PolarHBondContact O-N 3.13Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 3.47Å; L233-G237 VanDerWaalsContact O-CA 3.27Å; L233-G237 WeakPolarHBondContact O-CA 3.38Å; L233-G237 PolarHBondContact O-N 2.87Å; L233-W367 HydrophobicContact CD2-CH2 3.99Å; L233-W367 HydrophobicContact CD2-CZ3 4.25Å; L233-W367 HydrophobicContact CG-CH2 4.07Å; L233-W367 HydrophobicContact CG-CZ3 4.05Å; L233-F394 HydrophobicContact CD1-CD1 3.92Å
234	K	98.2	Very high	98.1	Very high	188 Å²	188	42 Å²	42	82%	0.817	21%	0.211	S	C	*	.	H	α-helix	trans	-64.1	-31.6	173.9	-175.3	177.2	178.9	-179.7	0	113	E230 L231 A232	E230-K234 VanDerWaalsContact O-CB 3.31Å; E230-K234 WeakPolarHBondContact O-CB 3.49Å; E230-K234 PolarHBondContact O-N 3.12Å; L231-K234 PolarHBondContact O-N 2.87Å; A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 3.37Å
235	R	97.7	Very high	98	Very high	105 Å²	105	45.5 Å²	45.5	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-84.1	-29.8	-179.9	-167.2	-179.1	-60.8	143	6.3	113.4	L231 A232 L233 D363 T365 V491	L231-R235 WeakPolarHBondContact O-CB 3.44Å; L231-R235 PolarHBondContact O-N 3.45Å; A232-R235 PolarHBondContact O-N 2.84Å; A232-R235 VanDerWaalsContact O-N 3.11Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 3.47Å; R235-D363 IonicContact CZ-OD2 3.76Å; R235-D363 IonicContact NE-OD2 2.85Å; R235-D363 IonicContact NH1-OD1 2.74Å; R235-D363 PolarHBondContact NH1-OD1 3.4Å; R235-D363 IonicContact NH1-OD2 3.91Å; R235-D363 PolarHBondContact NH1-OD2 2.91Å; R235-T365 PolarHBondContact NH1-OG1 2.9Å; R235-T365 VanDerWaalsContact NH1-OG1 3.13Å; R235-V491 PolarHBondContact NH2-O 3.22Å
236	Y	98.1	Very high	97.9	Very high	44 Å²	44	46.2 Å²	46.2	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-126.4	-5.2	-169.3	-67.7	-73.7	0	0	0	115.6	A232 S238 I241 F242 V245 T246 D363	A232-Y236 WeakPolarHBondContact O-CB 3.38Å; A232-Y236 WeakPolarHBondContact O-CD2 3.37Å; A232-Y236 PolarHBondContact O-N 3.16Å; Y236-S238 PolarHBondContact O-N 3.13Å; Y236-I241 HydrophobicContact CD1-CG2 4.37Å; Y236-I241 WeakPolarHBondContact O-CB 3.43Å; Y236-I241 WeakPolarHBondContact O-CD1 3.38Å; Y236-I241 VanDerWaalsContact O-CG2 3.3Å; Y236-I241 WeakPolarHBondContact O-CG2 3.44Å; Y236-F242 HydrophobicContact CD2-CB 3.78Å; Y236-F242 AromaticContact CD2-CD2 3.63Å; Y236-F242 HydrophobicContact CD2-CD2 3.63Å; Y236-F242 HydrophobicContact CD2-CG 4.16Å; Y236-F242 HydrophobicContact CE2-CB 4.5Å; Y236-F242 AromaticContact CE2-CD2 3.57Å; Y236-F242 HydrophobicContact CE2-CD2 3.57Å; Y236-F242 HydrophobicContact CE2-CE2 4.35Å; Y236-F242 HydrophobicContact CG-CB 3.83Å; Y236-F242 HydrophobicContact CG-CD2 4.42Å; Y236-V245 HydrophobicContact CD1-CB 4.45Å; Y236-V245 HydrophobicContact CE1-CB 4.14Å; Y236-V245 HydrophobicContact CE1-CG1 3.85Å; Y236-T246 HydrophobicContact CE1-CG2 4.28Å; Y236-T246 HydrophobicContact CE2-CG2 4.18Å; Y236-T246 WeakPolarHBondContact OH-CG2 3.47Å; Y236-D363 PolarHBondContact OH-OD2 2.88Å; Y236-D363 VanDerWaalsContact OH-OD2 3.05Å
237	G	97.9	Very high	97.8	Very high	59 Å²	59	45 Å²	45	61%	0.608	23%	0.23	S	C	*	.	S	Bend	trans	77.1	-44.6	-176.3	0	0	0	0	0	114.2	L233	L233-G237 VanDerWaalsContact O-CA 3.27Å; L233-G237 WeakPolarHBondContact O-CA 3.38Å; L233-G237 PolarHBondContact O-N 2.87Å
238	S	98	Very high	97.8	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	22%	0.219	C	C	.	.	S	Bend	trans	-143.4	166.6	175.7	84.8	0	0	0	0	113.5	Y236 E240 I241 F242	Y236-S238 PolarHBondContact O-N 3.13Å; S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 WeakPolarHBondContact CB-OE2 3.16Å; S238-E240 PolarHBondContact O-N 2.8Å; S238-E240 PolarHBondContact OG-N 2.92Å; S238-E240 PolarHBondContact OG-OE2 2.93Å; S238-E240 VanDerWaalsContact OG-OE2 3.11Å; S238-I241 PolarHBondContact OG-N 2.89Å; S238-F242 PolarHBondContact O-N 3.46Å; S238-F242 VanDerWaalsContact O-N 3.12Å
239	Y	97.9	Very high	97.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-39.4	171.1	172.2	-109.4	0	0	0	111.9	I241 F242 E243 R284 W367 F394 V395 T400	Y239-I241 VanDerWaalsContact C-N 3.35Å; Y239-I241 PolarHBondContact O-N 2.97Å; Y239-F242 AromaticContact CD2-CD1 3.85Å; Y239-F242 HydrophobicContact CD2-CD1 3.85Å; Y239-F242 HydrophobicContact CD2-CE1 4.46Å; Y239-F242 AromaticContact CE2-CD1 3.95Å; Y239-F242 HydrophobicContact CE2-CD1 3.95Å; Y239-F242 HydrophobicContact CE2-CE1 4.2Å; Y239-F242 WeakPolarHBondContact O-CB 3.44Å; Y239-F242 PolarHBondContact O-N 3.24Å; Y239-E243 HydrophobicContact CE1-CB 4.19Å; Y239-E243 HydrophobicContact CE2-CB 4.29Å; Y239-E243 WeakPolarHBondContact O-CB 3.19Å; Y239-E243 PolarHBondContact O-N 2.96Å; Y239-E243 PolarHBondContact OH-OE1 2.99Å; Y239-R284 PolarHBondContact OH-NH2 2.69Å; Y239-W367 AromaticContact CD2-CD1 3.75Å; Y239-W367 AromaticContact CD2-CD2 3.82Å; Y239-W367 HydrophobicContact CD2-CD2 3.82Å; Y239-W367 AromaticContact CD2-CE2 3.19Å; Y239-W367 HydrophobicContact CD2-CG 4.18Å; Y239-W367 HydrophobicContact CD2-CH2 4.22Å; Y239-W367 AromaticContact CD2-CZ2 3.45Å; Y239-W367 HydrophobicContact CD2-CZ2 3.45Å; Y239-W367 VanDerWaalsContact CD2-CZ2 3.45Å; Y239-W367 AromaticContact CD2-NE1 3.14Å; Y239-W367 AromaticContact CE2-CD1 3.37Å; Y239-W367 HydrophobicContact CE2-CD2 4.21Å; Y239-W367 AromaticContact CE2-CE2 3.69Å; Y239-W367 HydrophobicContact CE2-CG 4.07Å; Y239-W367 HydrophobicContact CE2-CZ2 4.33Å; Y239-W367 AromaticContact CE2-NE1 3.11Å; Y239-W367 AromaticContact CG-CZ2 3.85Å; Y239-W367 HydrophobicContact CG-CZ2 3.85Å; Y239-F394 VanDerWaalsContact CB-O 3.32Å; Y239-F394 WeakPolarHBondContact CB-O 3.49Å; Y239-V395 HydrophobicContact CD1-CG1 4.03Å; Y239-V395 HydrophobicContact CD1-CG2 4.05Å; Y239-V395 HydrophobicContact CG-CG2 4.04Å; Y239-T400 HydrophobicContact CE1-CG2 4.07Å
240	E	97.3	Very high	97.6	Very high	51 Å²	51	51.3 Å²	51.3	24%	0.238	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-39.4	-174.3	-63.7	69.6	-155.7	0	0	110.6	S238 Q244 Q396 D397	S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 WeakPolarHBondContact CB-OE2 3.16Å; S238-E240 PolarHBondContact O-N 2.8Å; S238-E240 PolarHBondContact OG-N 2.92Å; S238-E240 PolarHBondContact OG-OE2 2.93Å; S238-E240 VanDerWaalsContact OG-OE2 3.11Å; E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 2.8Å; E240-Q396 WeakPolarHBondContact OE1-CA 3.35Å; E240-Q396 PolarHBondContact OE1-N 2.97Å; E240-D397 HydrophobicContact CG-CB 4.44Å; E240-D397 PolarHBondContact OE1-N 3.27Å
241	I	98	Very high	97.5	Very high	85 Å²	85	48.9 Å²	48.9	44%	0.436	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-45.1	172.1	-63	168.5	0	0	0	110.3	Y236 S238 Y239 E243 Q244 V245	Y236-I241 HydrophobicContact CD1-CG2 4.37Å; Y236-I241 WeakPolarHBondContact O-CB 3.43Å; Y236-I241 WeakPolarHBondContact O-CD1 3.38Å; Y236-I241 VanDerWaalsContact O-CG2 3.3Å; Y236-I241 WeakPolarHBondContact O-CG2 3.44Å; S238-I241 PolarHBondContact OG-N 2.89Å; Y239-I241 VanDerWaalsContact C-N 3.35Å; Y239-I241 PolarHBondContact O-N 2.97Å; I241-E243 PolarHBondContact O-N 3.47Å; I241-Q244 PolarHBondContact O-N 3.09Å; I241-V245 HydrophobicContact CG2-CG2 4.06Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 VanDerWaalsContact O-CG2 3.28Å; I241-V245 WeakPolarHBondContact O-CG2 3.2Å; I241-V245 PolarHBondContact O-N 2.91Å
242	F	97.9	Very high	97.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-56.8	-47.1	174.8	161.3	-104.3	0	0	0	112.4	Y236 S238 Y239 T246 W307 T365 W367	Y236-F242 HydrophobicContact CD2-CB 3.78Å; Y236-F242 AromaticContact CD2-CD2 3.63Å; Y236-F242 HydrophobicContact CD2-CD2 3.63Å; Y236-F242 HydrophobicContact CD2-CG 4.16Å; Y236-F242 HydrophobicContact CE2-CB 4.5Å; Y236-F242 AromaticContact CE2-CD2 3.57Å; Y236-F242 HydrophobicContact CE2-CD2 3.57Å; Y236-F242 HydrophobicContact CE2-CE2 4.35Å; Y236-F242 HydrophobicContact CG-CB 3.83Å; Y236-F242 HydrophobicContact CG-CD2 4.42Å; S238-F242 PolarHBondContact O-N 3.46Å; S238-F242 VanDerWaalsContact O-N 3.12Å; Y239-F242 AromaticContact CD2-CD1 3.85Å; Y239-F242 HydrophobicContact CD2-CD1 3.85Å; Y239-F242 HydrophobicContact CD2-CE1 4.46Å; Y239-F242 AromaticContact CE2-CD1 3.95Å; Y239-F242 HydrophobicContact CE2-CD1 3.95Å; Y239-F242 HydrophobicContact CE2-CE1 4.2Å; Y239-F242 WeakPolarHBondContact O-CB 3.44Å; Y239-F242 PolarHBondContact O-N 3.24Å; F242-T246 HydrophobicContact CD2-CG2 3.71Å; F242-T246 HydrophobicContact CE2-CG2 3.78Å; F242-T246 WeakPolarHBondContact O-CB 3.39Å; F242-T246 WeakPolarHBondContact O-CG2 3.33Å; F242-T246 PolarHBondContact O-N 3.15Å; F242-T246 PolarHBondContact O-OG1 2.84Å; F242-W307 HydrophobicContact CE1-CH2 4.4Å; F242-W307 HydrophobicContact CE1-CZ2 4.16Å; F242-W307 HydrophobicContact CZ-CZ2 4.35Å; F242-T365 HydrophobicContact CE2-CG2 3.87Å; F242-T365 HydrophobicContact CZ-CG2 3.89Å; F242-W367 HydrophobicContact CD1-CB 4.46Å; F242-W367 HydrophobicContact CD1-CD2 4.42Å; F242-W367 HydrophobicContact CD1-CG 4.32Å; F242-W367 HydrophobicContact CE1-CB 3.55Å; F242-W367 HydrophobicContact CE1-CD2 4.32Å; F242-W367 AromaticContact CE1-CG 3.79Å; F242-W367 HydrophobicContact CE1-CG 3.79Å; F242-W367 HydrophobicContact CZ-CB 3.82Å
243	E	96.9	Very high	97.4	Very high	23 Å²	23	56.8 Å²	56.8	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-42.2	-180	173.6	166.7	-80.4	0	0	111.3	Y239 I241 G247 R284 R304 W307	Y239-E243 HydrophobicContact CE1-CB 4.19Å; Y239-E243 HydrophobicContact CE2-CB 4.29Å; Y239-E243 WeakPolarHBondContact O-CB 3.19Å; Y239-E243 PolarHBondContact O-N 2.96Å; Y239-E243 PolarHBondContact OH-OE1 2.99Å; I241-E243 PolarHBondContact O-N 3.47Å; E243-G247 WeakPolarHBondContact O-CA 3.41Å; E243-G247 PolarHBondContact O-N 3.12Å; E243-R284 IonicContact OE1-NH2 2.67Å; E243-R284 PolarHBondContact OE1-NH2 3.25Å; E243-R304 IonicContact OE2-CZ 3.45Å; E243-R304 IonicContact OE2-NE 3.28Å; E243-R304 PolarHBondContact OE2-NE 3.24Å; E243-R304 IonicContact OE2-NH2 2.72Å; E243-R304 PolarHBondContact OE2-NH2 3.11Å; E243-W307 HydrophobicContact CB-CH2 3.86Å; E243-W307 HydrophobicContact CB-CZ3 4.5Å; E243-W307 HydrophobicContact CG-CH2 3.56Å; E243-W307 HydrophobicContact CG-CZ2 4.45Å; E243-W307 HydrophobicContact CG-CZ3 3.71Å; E243-W307 VanDerWaalsContact OE1-CZ3 3.29Å; E243-W307 WeakPolarHBondContact OE1-CZ3 3.13Å
244	Q	96.8	Very high	97.3	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-69.4	-43.3	178.8	-174.5	61.2	20.4	0	0	112.1	E240 I241 G248 N249	E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 2.8Å; I241-Q244 PolarHBondContact O-N 3.09Å; Q244-G248 VanDerWaalsContact O-CA 3.3Å; Q244-G248 WeakPolarHBondContact O-CA 3.33Å; Q244-G248 PolarHBondContact O-N 3.06Å; Q244-N249 PolarHBondContact NE2-OD1 2.98Å
245	V	97.4	Very high	97.2	Very high	89 Å²	89	56.6 Å²	56.6	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-72.9	-41	-178.6	174.3	0	0	0	0	112.3	Y236 I241	Y236-V245 HydrophobicContact CD1-CB 4.45Å; Y236-V245 HydrophobicContact CE1-CB 4.14Å; Y236-V245 HydrophobicContact CE1-CG1 3.85Å; I241-V245 HydrophobicContact CG2-CG2 4.06Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 VanDerWaalsContact O-CG2 3.28Å; I241-V245 WeakPolarHBondContact O-CG2 3.2Å; I241-V245 PolarHBondContact O-N 2.91Å
246	T	96.9	Very high	97.2	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.098	28%	0.277	C	S	.	.	H	α-helix	trans	-92.6	-21.1	-176.8	71.1	0	0	0	0	113.8	Y236 F242 W307 D363	Y236-T246 HydrophobicContact CE1-CG2 4.28Å; Y236-T246 HydrophobicContact CE2-CG2 4.18Å; Y236-T246 WeakPolarHBondContact OH-CG2 3.47Å; F242-T246 HydrophobicContact CD2-CG2 3.71Å; F242-T246 HydrophobicContact CE2-CG2 3.78Å; F242-T246 WeakPolarHBondContact O-CB 3.39Å; F242-T246 WeakPolarHBondContact O-CG2 3.33Å; F242-T246 PolarHBondContact O-N 3.15Å; F242-T246 PolarHBondContact O-OG1 2.84Å; T246-W307 VanDerWaalsContact C-NE1 3.32Å; T246-W307 PolarHBondContact O-NE1 3.3Å; T246-W307 WeakPolarHBondContact OG1-CZ2 3.19Å; T246-D363 HydrophobicContact CG2-CB 3.9Å
247	G	96.7	Very high	97.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-99.8	-28	178.4	0	0	0	0	0	114.4	E243 R304 E305 H306 W307	E243-G247 WeakPolarHBondContact O-CA 3.41Å; E243-G247 PolarHBondContact O-N 3.12Å; G247-R304 CarbonylContact O-C 3.54Å; G247-R304 WeakPolarHBondContact O-CB 3.4Å; G247-E305 PolarHBondContact O-N 3.37Å; G247-H306 WeakPolarHBondContact O-CB 3.26Å; G247-H306 PolarHBondContact O-N 3.05Å; G247-W307 VanDerWaalsContact CA-NE1 3.34Å
248	G	97.1	Very high	97.1	Very high	7 Å²	7	56.4 Å²	56.4	7%	0.072	28%	0.282	C	S	.	.			trans	69.6	-168.5	-171.3	0	0	0	0	0	112.6	Q244 R304	Q244-G248 VanDerWaalsContact O-CA 3.3Å; Q244-G248 WeakPolarHBondContact O-CA 3.33Å; Q244-G248 PolarHBondContact O-N 3.06Å; G248-R304 WeakPolarHBondContact O-CD 3.48Å; G248-R304 PolarHBondContact O-NH1 3.5Å
249	N	96.8	Very high	97.1	Very high	94 Å²	94	58.4 Å²	58.4	50%	0.503	29%	0.292	S	S	.	.	S	Bend	trans	-69.4	155.3	-174.1	-66.4	-45.3	0	0	0	113	Q244 R304 E305	Q244-N249 PolarHBondContact NE2-OD1 2.98Å; N249-R304 CarbonylContact O-C 3.52Å; N249-R304 VanDerWaalsContact O-CA 3.29Å; N249-R304 WeakPolarHBondContact O-CA 3.37Å; N249-E305 PolarHBondContact O-N 2.77Å
250	L	96.8	Very high	97.1	Very high	88 Å²	88	58.3 Å²	58.3	46%	0.461	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-64.9	134.9	167.6	-72.4	169.8	0	0	0	110.2	S301 R304	L250-S301 VanDerWaalsContact CD2-O 3.3Å; L250-S301 WeakPolarHBondContact CD2-O 3.41Å; L250-R304 HydrophobicContact CD2-CG 3.68Å; L250-R304 HydrophobicContact CG-CG 4.29Å
251	L	97.2	Very high	97.1	Very high	20 Å²	20	61.9 Å²	61.9	11%	0.105	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-88.2	131.4	-177.8	-65.6	174.8	0	0	0	111.2	R255 I256 A303 E305 L308	L251-R255 HydrophobicContact CB-CB 4.21Å; L251-R255 HydrophobicContact CD2-CB 4.07Å; L251-I256 HydrophobicContact CB-CG1 3.78Å; L251-A303 VanDerWaalsContact CB-O 3.31Å; L251-A303 WeakPolarHBondContact CB-O 3.39Å; L251-A303 WeakPolarHBondContact CG-O 3.48Å; L251-A303 PolarHBondContact N-O 3.2Å; L251-E305 HydrophobicContact CD2-CB 3.98Å; L251-E305 HydrophobicContact CD2-CG 4.2Å; L251-E305 HydrophobicContact CG-CB 4.45Å; L251-L308 HydrophobicContact CD1-CB 4.08Å; L251-L308 HydrophobicContact CD1-CD2 3.47Å; L251-L308 VanDerWaalsContact CD1-CD2 3.47Å; L251-L308 HydrophobicContact CD1-CG 4.38Å
252	P	96.4	Very high	97.1	Very high	78 Å²	78	65.2 Å²	65.2	51%	0.506	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.3	152.7	168.4	28.8	-34.9	0	0	0	110.1	S254 R255 I256	P252-S254 PolarHBondContact O-N 3.25Å; P252-R255 HydrophobicContact CG-CB 4.08Å; P252-R255 HydrophobicContact CG-CG 3.75Å; P252-R255 WeakPolarHBondContact O-CA 3.33Å; P252-R255 PolarHBondContact O-N 3.46Å; P252-I256 PolarHBondContact O-N 2.96Å; P252-I256 VanDerWaalsContact O-N 3.15Å
253	R	96.3	Very high	97.1	Very high	109 Å²	109	65.4 Å²	65.4	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-45.9	-42.9	-175.4	-72.6	177.8	151.6	91.8	2.5	113.4	R255 I256 W257 V277 D279 T300	R253-R255 PolarHBondContact O-N 2.7Å; R253-I256 WeakPolarHBondContact O-CB 3.41Å; R253-I256 PolarHBondContact O-N 3.21Å; R253-W257 PolarHBondContact O-N 2.86Å; R253-V277 HydrophobicContact CG-CG1 3.97Å; R253-V277 PolarHBondContact NH2-O 3.5Å; R253-D279 IonicContact CZ-OD2 2.68Å; R253-D279 IonicContact NH1-OD2 3.99Å; R253-D279 PolarHBondContact NH1-OD2 2.79Å; R253-D279 IonicContact NH2-OD1 2.88Å; R253-D279 IonicContact NH2-OD2 3.43Å; R253-D279 PolarHBondContact NH2-OD2 3.4Å; R253-T300 HydrophobicContact CG-CG2 3.68Å; R253-T300 PolarHBondContact NH2-OG1 3.3Å
254	S	96.5	Very high	97.2	Very high	76 Å²	76	64.8 Å²	64.8	53%	0.531	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-39.9	176.5	54.1	0	0	0	0	114.1	P252 W257 I258	P252-S254 PolarHBondContact O-N 3.25Å; S254-W257 PolarHBondContact O-N 3.05Å; S254-I258 WeakPolarHBondContact O-CD1 3.46Å; S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.37Å; S254-I258 PolarHBondContact O-N 3.31Å
255	R	97.6	Very high	97.2	Very high	147 Å²	147	65.7 Å²	65.7	56%	0.555	32%	0.316	S	S	*	.	H	α-helix	trans	-72.6	-30.5	175.9	-68.9	-70.6	-170.1	175.9	2.8	112.2	L251 P252 R253 N259	L251-R255 HydrophobicContact CB-CB 4.21Å; L251-R255 HydrophobicContact CD2-CB 4.07Å; P252-R255 HydrophobicContact CG-CB 4.08Å; P252-R255 HydrophobicContact CG-CG 3.75Å; P252-R255 WeakPolarHBondContact O-CA 3.33Å; P252-R255 PolarHBondContact O-N 3.46Å; R253-R255 PolarHBondContact O-N 2.7Å; R255-N259 PolarHBondContact O-N 3.14Å; R255-N259 PolarHBondContact O-ND2 3.04Å
256	I	97.8	Very high	97.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-54.3	170.1	-57.1	174	0	0	0	108.8	L251 P252 R253 I258 N259 V260 V277 I298 T300 A303 L308	L251-I256 HydrophobicContact CB-CG1 3.78Å; P252-I256 PolarHBondContact O-N 2.96Å; P252-I256 VanDerWaalsContact O-N 3.15Å; R253-I256 WeakPolarHBondContact O-CB 3.41Å; R253-I256 PolarHBondContact O-N 3.21Å; I256-I258 PolarHBondContact O-N 2.75Å; I256-N259 PolarHBondContact O-N 2.92Å; I256-N259 VanDerWaalsContact O-N 3.16Å; I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 VanDerWaalsContact O-CG2 3.29Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 3.29Å; I256-V277 HydrophobicContact CD1-CG1 3.93Å; I256-V277 HydrophobicContact CG2-CG2 4.27Å; I256-I298 HydrophobicContact CG2-CD1 3.99Å; I256-I298 HydrophobicContact CG2-CG2 4.29Å; I256-T300 HydrophobicContact CD1-CG2 3.67Å; I256-A303 HydrophobicContact CD1-CB 3.49Å; I256-A303 VanDerWaalsContact CD1-CB 3.49Å; I256-A303 HydrophobicContact CG1-CB 3.9Å; I256-L308 HydrophobicContact CG2-CD1 4.46Å; I256-L308 HydrophobicContact CG2-CD2 4.28Å
257	W	96.7	Very high	97.2	Very high	121 Å²	121	65.9 Å²	65.9	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-54.3	-45.9	178.9	-79.4	114.4	0	0	0	113.9	R253 S254 N259 V260 K261 V275 V277	R253-W257 PolarHBondContact O-N 2.86Å; S254-W257 PolarHBondContact O-N 3.05Å; W257-N259 PolarHBondContact O-N 2.88Å; W257-V260 PolarHBondContact O-N 3Å; W257-K261 WeakPolarHBondContact O-CB 3.49Å; W257-K261 PolarHBondContact O-N 3.3Å; W257-V275 HydrophobicContact CE3-CB 4.46Å; W257-V275 HydrophobicContact CE3-CG1 4.3Å; W257-V275 HydrophobicContact CH2-CB 3.76Å; W257-V275 HydrophobicContact CH2-CG1 3.97Å; W257-V275 VanDerWaalsContact CH2-O 3.27Å; W257-V275 WeakPolarHBondContact CH2-O 3.49Å; W257-V275 HydrophobicContact CZ3-CB 3.59Å; W257-V275 HydrophobicContact CZ3-CG1 3.83Å; W257-V275 HydrophobicContact CZ3-CG2 4.46Å; W257-V277 HydrophobicContact CZ2-CG2 4.18Å
258	I	97.3	Very high	97.2	Very high	82 Å²	82	68.3 Å²	68.3	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-43.4	178.5	-69.9	162.9	0	0	0	111.7	S254 I256 R262	S254-I258 WeakPolarHBondContact O-CD1 3.46Å; S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.37Å; S254-I258 PolarHBondContact O-N 3.31Å; I256-I258 PolarHBondContact O-N 2.75Å; I258-R262 WeakPolarHBondContact O-CB 3.29Å; I258-R262 PolarHBondContact O-N 2.88Å
259	N	97.6	Very high	97.1	Very high	51 Å²	51	68 Å²	68	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-72.4	-37.3	179.7	-77.3	-67.6	0	0	0	112.4	R255 I256 W257 R262 Y263 L308	R255-N259 PolarHBondContact O-N 3.14Å; R255-N259 PolarHBondContact O-ND2 3.04Å; I256-N259 PolarHBondContact O-N 2.92Å; I256-N259 VanDerWaalsContact O-N 3.16Å; W257-N259 PolarHBondContact O-N 2.88Å; N259-R262 PolarHBondContact O-N 2.92Å; N259-Y263 WeakPolarHBondContact O-CB 3.24Å; N259-Y263 PolarHBondContact O-N 2.98Å; N259-L308 HydrophobicContact CB-CD2 3.63Å
260	V	97.9	Very high	97.1	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-47.7	174.2	177.1	0	0	0	0	110.7	I256 W257 R262 Y263 M264 V275 M296 I298 L312	I256-V260 HydrophobicContact CG2-CG2 4.11Å; I256-V260 VanDerWaalsContact O-CG2 3.29Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 3.29Å; W257-V260 PolarHBondContact O-N 3Å; V260-R262 PolarHBondContact O-N 3.48Å; V260-Y263 PolarHBondContact O-N 3.05Å; V260-M264 HydrophobicContact CG1-CG 4.43Å; V260-M264 HydrophobicContact CG1-SD 3.82Å; V260-M264 WeakPolarHBondContact O-CG 3.31Å; V260-M264 PolarHBondContact O-N 2.94Å; V260-V275 HydrophobicContact CG1-CG1 4.13Å; V260-V275 HydrophobicContact CG1-CG2 3.73Å; V260-M296 HydrophobicContact CG1-CE 3.78Å; V260-M296 HydrophobicContact CG2-CE 4.48Å; V260-I298 HydrophobicContact CG2-CD1 3.67Å; V260-L312 HydrophobicContact CG2-CD1 4.14Å; V260-L312 HydrophobicContact CG2-CD2 3.94Å
261	K	97.4	Very high	97	Very high	126 Å²	126	66.6 Å²	66.6	55%	0.548	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-51	175.9	175.8	170.7	169.5	172.7	0	111.1	W257 Y263 M264 E265	W257-K261 WeakPolarHBondContact O-CB 3.49Å; W257-K261 PolarHBondContact O-N 3.3Å; K261-Y263 VanDerWaalsContact C-N 3.29Å; K261-Y263 PolarHBondContact O-N 3.03Å; K261-M264 PolarHBondContact O-N 3.42Å; K261-M264 VanDerWaalsContact O-N 3.11Å; K261-E265 WeakPolarHBondContact CE-OE1 3.42Å; K261-E265 HydrophobicContact CG-CG 4.31Å; K261-E265 IonicContact NZ-OE1 2.69Å; K261-E265 WeakPolarHBondContact O-CG 3.48Å; K261-E265 PolarHBondContact O-N 3.14Å
262	R	97.9	Very high	96.9	Very high	155 Å²	155	68.7 Å²	68.7	59%	0.585	35%	0.35	S	S	*	.	H	α-helix	trans	-57.6	-39.5	177.9	-175.1	-173.5	-67.4	161.2	-6.4	113	I258 N259 V260 E265 K266	I258-R262 WeakPolarHBondContact O-CB 3.29Å; I258-R262 PolarHBondContact O-N 2.88Å; N259-R262 PolarHBondContact O-N 2.92Å; V260-R262 PolarHBondContact O-N 3.48Å; R262-E265 WeakPolarHBondContact CA-OE2 3.39Å; R262-K266 WeakPolarHBondContact O-CB 3.33Å; R262-K266 PolarHBondContact O-N 3.36Å
263	Y	98.1	Very high	96.9	Very high	7 Å²	7	65.5 Å²	65.5	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-43.4	176.7	-172	-81.6	0	0	0	111.4	N259 V260 K261 E265 K266 E267 E309 L312 R313 I316	N259-Y263 WeakPolarHBondContact O-CB 3.24Å; N259-Y263 PolarHBondContact O-N 2.98Å; V260-Y263 PolarHBondContact O-N 3.05Å; K261-Y263 VanDerWaalsContact C-N 3.29Å; K261-Y263 PolarHBondContact O-N 3.03Å; Y263-E265 VanDerWaalsContact C-N 3.34Å; Y263-K266 PolarHBondContact O-N 2.99Å; Y263-E267 HydrophobicContact CD1-CG 4.03Å; Y263-E267 HydrophobicContact CE1-CB 4.45Å; Y263-E267 HydrophobicContact CE1-CG 3.53Å; Y263-E267 WeakPolarHBondContact O-CG 3.31Å; Y263-E267 PolarHBondContact O-N 3.41Å; Y263-E309 HydrophobicContact CD2-CG 3.77Å; Y263-E309 HydrophobicContact CE2-CG 4.08Å; Y263-L312 HydrophobicContact CD1-CB 3.9Å; Y263-L312 HydrophobicContact CD1-CD1 4.48Å; Y263-L312 HydrophobicContact CD2-CB 3.77Å; Y263-L312 HydrophobicContact CD2-CD1 4.16Å; Y263-L312 HydrophobicContact CE1-CB 4.07Å; Y263-L312 HydrophobicContact CE2-CB 3.92Å; Y263-L312 HydrophobicContact CG-CB 3.77Å; Y263-L312 HydrophobicContact CG-CD1 3.83Å; Y263-L312 HydrophobicContact CG-CG 4.44Å; Y263-R313 HydrophobicContact CE2-CG 3.88Å; Y263-R313 WeakPolarHBondContact OH-CA 3.34Å; Y263-R313 WeakPolarHBondContact OH-CG 3.4Å; Y263-I316 HydrophobicContact CD1-CB 4.42Å; Y263-I316 HydrophobicContact CD1-CD1 3.91Å; Y263-I316 HydrophobicContact CD1-CG2 4.46Å; Y263-I316 HydrophobicContact CE1-CB 3.86Å; Y263-I316 HydrophobicContact CE1-CD1 4.22Å; Y263-I316 HydrophobicContact CE1-CG2 3.94Å
264	M	97.9	Very high	96.9	Very high	11 Å²	11	62.5 Å²	62.5	5%	0.054	32%	0.322	C	S	.	.	H	α-helix	trans	-68.7	-31.7	177.5	-66.7	175.7	69.6	0	0	112.7	V260 K261 G268 C269 V270 I273 V275 I316	V260-M264 HydrophobicContact CG1-CG 4.43Å; V260-M264 HydrophobicContact CG1-SD 3.82Å; V260-M264 WeakPolarHBondContact O-CG 3.31Å; V260-M264 PolarHBondContact O-N 2.94Å; K261-M264 PolarHBondContact O-N 3.42Å; K261-M264 VanDerWaalsContact O-N 3.11Å; M264-G268 PolarHBondContact O-N 3.47Å; M264-C269 WeakPolarHBondContact CE-O 3.49Å; M264-C269 PolarHBondContact O-N 3.26Å; M264-V270 HydrophobicContact CB-CG2 4.16Å; M264-I273 HydrophobicContact CE-CB 3.75Å; M264-I273 HydrophobicContact CE-CD1 4.3Å; M264-I273 HydrophobicContact CE-CG1 4.09Å; M264-V275 HydrophobicContact SD-CG2 4.09Å; M264-I316 HydrophobicContact CG-CD1 3.9Å; M264-I316 HydrophobicContact SD-CD1 4.46Å
265	E	97.5	Very high	96.9	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-48.9	169.9	-72.9	167.5	153.7	0	0	110.8	K261 R262 Y263 E267 G268 V270	K261-E265 WeakPolarHBondContact CE-OE1 3.42Å; K261-E265 HydrophobicContact CG-CG 4.31Å; K261-E265 IonicContact NZ-OE1 2.69Å; K261-E265 WeakPolarHBondContact O-CG 3.48Å; K261-E265 PolarHBondContact O-N 3.14Å; R262-E265 WeakPolarHBondContact CA-OE2 3.39Å; Y263-E265 VanDerWaalsContact C-N 3.34Å; E265-E267 PolarHBondContact O-N 2.83Å; E265-G268 PolarHBondContact O-N 2.94Å; E265-V270 HydrophobicContact CB-CG2 4.24Å; E265-V270 HydrophobicContact CG-CG2 3.61Å
266	K	96.4	Very high	96.8	Very high	92 Å²	92	56.9 Å²	56.9	40%	0.4	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-41.8	179	178.4	-176.8	172.4	-174.4	0	113.7	R262 Y263 G268 E309 H473	R262-K266 WeakPolarHBondContact O-CB 3.33Å; R262-K266 PolarHBondContact O-N 3.36Å; Y263-K266 PolarHBondContact O-N 2.99Å; K266-G268 VanDerWaalsContact C-N 3.32Å; K266-E309 IonicContact NZ-OE1 3.84Å; K266-H473 WeakPolarHBondContact CE-CD2 3.43Å
267	E	97	Very high	96.7	Very high	18 Å²	18	58 Å²	58	8%	0.084	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	3.3	-179.9	-57.8	-67.6	160.4	0	0	112.8	Y263 E265 C269 F321 R470 P472 H473	Y263-E267 HydrophobicContact CD1-CG 4.03Å; Y263-E267 HydrophobicContact CE1-CB 4.45Å; Y263-E267 HydrophobicContact CE1-CG 3.53Å; Y263-E267 WeakPolarHBondContact O-CG 3.31Å; Y263-E267 PolarHBondContact O-N 3.41Å; E265-E267 PolarHBondContact O-N 2.83Å; E267-C269 PolarHBondContact O-N 3.18Å; E267-F321 HydrophobicContact CB-CE2 4.05Å; E267-F321 HydrophobicContact CB-CZ 3.83Å; E267-R470 PolarHBondContact O-NH2 3.47Å; E267-P472 VanDerWaalsContact OE2-CA 3.27Å; E267-P472 WeakPolarHBondContact OE2-CA 3.19Å; E267-H473 WeakPolarHBondContact OE1-CB 3.24Å; E267-H473 PolarHBondContact OE1-N 2.82Å; E267-H473 PolarHBondContact OE2-N 3.46Å
268	G	96.3	Very high	96.6	Very high	50 Å²	50	54.4 Å²	54.4	52%	0.515	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	34.3	175.3	0	0	0	0	0	115.1	M264 E265 K266 R470	M264-G268 PolarHBondContact O-N 3.47Å; E265-G268 PolarHBondContact O-N 2.94Å; K266-G268 VanDerWaalsContact C-N 3.32Å; G268-R470 PolarHBondContact O-NH2 3.26Å
269	C	96.3	Very high	96.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.			trans	-121.4	21.8	-176.1	60.1	0	0	0	0	114.6	M264 E267 G271 E272 F321	M264-C269 WeakPolarHBondContact CE-O 3.49Å; M264-C269 PolarHBondContact O-N 3.26Å; E267-C269 PolarHBondContact O-N 3.18Å; C269-G271 PolarHBondContact O-N 2.84Å; C269-E272 VanDerWaalsContact CA-CD 3.49Å; C269-E272 HydrophobicContact CB-CB 4.39Å; C269-E272 HydrophobicContact CB-CG 4.26Å; C269-E272 WeakPolarHBondContact CB-OE2 3.23Å; C269-E272 WeakPolarHBondContact O-CB 3.44Å; C269-E272 PolarHBondContact O-N 3.44Å; C269-E272 VanDerWaalsContact O-N 3.15Å; C269-F321 HydrophobicContact CB-CE1 4.17Å; C269-F321 HydrophobicContact CB-CZ 4.4Å
270	V	96.3	Very high	95.7	Very high	90 Å²	90	57.4 Å²	57.4	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	128.3	176.5	-174.7	0	0	0	0	110.6	M264 E265 E272	M264-V270 HydrophobicContact CB-CG2 4.16Å; E265-V270 HydrophobicContact CB-CG2 4.24Å; E265-V270 HydrophobicContact CG-CG2 3.61Å; V270-E272 VanDerWaalsContact C-N 3.26Å; V270-E272 PolarHBondContact O-N 3.03Å
271	G	94.2	Very high	95.3	Very high	63 Å²	63	59 Å²	59	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-15	-179.1	0	0	0	0	0	115.4	C269 I273	C269-G271 PolarHBondContact O-N 2.84Å; G271-I273 VanDerWaalsContact C-N 3.34Å
272	E	95.6	Very high	94.7	Very high	64 Å²	64	55 Å²	55	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.3	179.8	-56.5	178.4	178.1	0	0	113.6	C269 V270 P294 Y320 R470	C269-E272 VanDerWaalsContact CA-CD 3.49Å; C269-E272 HydrophobicContact CB-CB 4.39Å; C269-E272 HydrophobicContact CB-CG 4.26Å; C269-E272 WeakPolarHBondContact CB-OE2 3.23Å; C269-E272 WeakPolarHBondContact O-CB 3.44Å; C269-E272 PolarHBondContact O-N 3.44Å; C269-E272 VanDerWaalsContact O-N 3.15Å; V270-E272 VanDerWaalsContact C-N 3.26Å; V270-E272 PolarHBondContact O-N 3.03Å; E272-P294 WeakPolarHBondContact O-CG 3.49Å; E272-Y320 HydrophobicContact CB-CE1 4.5Å; E272-Y320 WeakPolarHBondContact CB-OH 3.46Å; E272-Y320 WeakPolarHBondContact OE2-CE1 3.05Å; E272-Y320 PolarHBondContact OE2-OH 3.06Å; E272-R470 IonicContact OE1-CZ 2.58Å; E272-R470 IonicContact OE1-NH1 3.7Å; E272-R470 PolarHBondContact OE1-NH1 3.32Å; E272-R470 IonicContact OE1-NH2 2.74Å; E272-R470 IonicContact OE2-CZ 3.49Å; E272-R470 IonicContact OE2-NH1 3.71Å; E272-R470 PolarHBondContact OE2-NH1 2.88Å; E272-R470 IonicContact OE2-NH2 3.76Å
273	I	96.4	Very high	94.2	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-127.9	127	-173.5	-44.2	174.9	0	0	0	109.4	M264 G271 M287 P294 M296 I316 Y320	M264-I273 HydrophobicContact CE-CB 3.75Å; M264-I273 HydrophobicContact CE-CD1 4.3Å; M264-I273 HydrophobicContact CE-CG1 4.09Å; G271-I273 VanDerWaalsContact C-N 3.34Å; I273-M287 HydrophobicContact CD1-CE 4.39Å; I273-M287 HydrophobicContact CG2-CE 4.08Å; I273-M287 HydrophobicContact CG2-SD 4.25Å; I273-P294 WeakPolarHBondContact CA-O 3.47Å; I273-P294 HydrophobicContact CG1-CB 4.45Å; I273-P294 HydrophobicContact CG2-CB 4.29Å; I273-M296 HydrophobicContact CG2-CB 4.05Å; I273-I316 HydrophobicContact CD1-CB 4.39Å; I273-I316 HydrophobicContact CD1-CD1 4.12Å; I273-I316 HydrophobicContact CD1-CG1 3.87Å; I273-I316 HydrophobicContact CD1-CG2 3.83Å; I273-Y320 HydrophobicContact CD1-CD1 3.47Å; I273-Y320 VanDerWaalsContact CD1-CD1 3.47Å; I273-Y320 HydrophobicContact CD1-CD2 4.48Å; I273-Y320 HydrophobicContact CD1-CE1 3.68Å; I273-Y320 HydrophobicContact CD1-CG 3.91Å; I273-Y320 HydrophobicContact CG1-CD1 4.03Å; I273-Y320 HydrophobicContact CG1-CE1 3.76Å; I273-Y320 HydrophobicContact CG1-CE2 4.32Å; I273-Y320 HydrophobicContact CG1-CG 4.41Å
274	V	95.9	Very high	94	Very high	47 Å²	47	51 Å²	51	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.9	167.5	173.3	0	0	0	0	109.1	Q276 Q293 P294 T295 M296	V274-Q276 HydrophobicContact CG1-CG 4.43Å; V274-Q293 HydrophobicContact CG2-CG 3.89Å; V274-P294 PolarHBondContact N-O 3.37Å; V274-T295 HydrophobicContact CB-CG2 4.37Å; V274-T295 HydrophobicContact CG1-CG2 4.24Å; V274-T295 CarbonylContact O-C 3.44Å; V274-T295 VanDerWaalsContact O-CA 3.29Å; V274-T295 WeakPolarHBondContact O-CA 2.99Å; V274-M296 PolarHBondContact O-N 3.46Å
275	V	96.1	Very high	93.8	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	179.5	179.2	0	0	0	0	109.1	W257 V260 M264 V277 M296 I298	W257-V275 HydrophobicContact CE3-CB 4.46Å; W257-V275 HydrophobicContact CE3-CG1 4.3Å; W257-V275 HydrophobicContact CH2-CB 3.76Å; W257-V275 HydrophobicContact CH2-CG1 3.97Å; W257-V275 VanDerWaalsContact CH2-O 3.27Å; W257-V275 WeakPolarHBondContact CH2-O 3.49Å; W257-V275 HydrophobicContact CZ3-CB 3.59Å; W257-V275 HydrophobicContact CZ3-CG1 3.83Å; W257-V275 HydrophobicContact CZ3-CG2 4.46Å; V260-V275 HydrophobicContact CG1-CG1 4.13Å; V260-V275 HydrophobicContact CG1-CG2 3.73Å; M264-V275 HydrophobicContact SD-CG2 4.09Å; V275-V277 HydrophobicContact CG1-CG2 4.35Å; V275-M296 WeakPolarHBondContact CA-O 3.27Å; V275-M296 HydrophobicContact CG1-CE 4.22Å; V275-M296 HydrophobicContact CG2-CE 3.86Å; V275-I298 HydrophobicContact CG1-CD1 4.23Å
276	Q	95.6	Very high	93.6	Very high	87 Å²	87	46.8 Å²	46.8	41%	0.407	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.3	177.3	-65.6	178.3	-9.6	0	0	109.4	V274 T295 M296 T297 I298	V274-Q276 HydrophobicContact CG1-CG 4.43Å; Q276-T295 HydrophobicContact CG-CG2 4.14Å; Q276-M296 PolarHBondContact N-O 2.85Å; Q276-T297 HydrophobicContact CB-CG2 4.12Å; Q276-T297 CarbonylContact O-C 3.34Å; Q276-T297 WeakPolarHBondContact O-CA 3.41Å; Q276-T297 PolarHBondContact OE1-OG1 2.84Å; Q276-I298 PolarHBondContact O-N 3.45Å
277	V	96.1	Very high	93.4	Very high	24 Å²	24	44.1 Å²	44.1	15%	0.145	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	103.8	-174.5	-176.4	0	0	0	0	109.7	R253 I256 W257 V275 T300	R253-V277 HydrophobicContact CG-CG1 3.97Å; R253-V277 PolarHBondContact NH2-O 3.5Å; I256-V277 HydrophobicContact CD1-CG1 3.93Å; I256-V277 HydrophobicContact CG2-CG2 4.27Å; W257-V277 HydrophobicContact CZ2-CG2 4.18Å; V275-V277 HydrophobicContact CG1-CG2 4.35Å; V277-T300 HydrophobicContact CG1-CG2 3.77Å
278	T	94	Very high	93.2	Very high	45 Å²	45	45 Å²	45	28%	0.276	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.1	-169.1	-170.4	0	0	0	0	111.1	D280 L281 T297 I298 N299 T300	T278-D280 PolarHBondContact OG1-N 3.17Å; T278-L281 HydrophobicContact CG2-CB 4.05Å; T278-T297 HydrophobicContact CG2-CG2 3.55Å; T278-I298 PolarHBondContact N-O 3.19Å; T278-N299 VanDerWaalsContact O-CA 3.24Å; T278-N299 WeakPolarHBondContact O-CA 3.36Å; T278-N299 PolarHBondContact O-OD1 3.04Å; T278-T300 VanDerWaalsContact C-OG1 3.31Å; T278-T300 PolarHBondContact O-N 2.97Å; T278-T300 VanDerWaalsContact O-N 3.11Å; T278-T300 PolarHBondContact O-OG1 2.79Å; T278-T300 VanDerWaalsContact O-OG1 3.07Å
279	D	90.1	Very high	92.8	Very high	91 Å²	91	48.7 Å²	48.7	49%	0.487	28%	0.277	S	S	.	.	S	Bend	trans	-88.4	-18.9	168.4	-56.5	-71.9	0	0	0	111.2	R253 L281 N299 T300	R253-D279 IonicContact CZ-OD2 2.68Å; R253-D279 IonicContact NH1-OD2 3.99Å; R253-D279 PolarHBondContact NH1-OD2 2.79Å; R253-D279 IonicContact NH2-OD1 2.88Å; R253-D279 IonicContact NH2-OD2 3.43Å; R253-D279 PolarHBondContact NH2-OD2 3.4Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.84Å; D279-N299 PolarHBondContact O-ND2 3.27Å; D279-N299 VanDerWaalsContact O-ND2 3.13Å; D279-T300 VanDerWaalsContact CG-OG1 3.22Å; D279-T300 VanDerWaalsContact OD1-CB 3.27Å; D279-T300 WeakPolarHBondContact OD1-CB 3.42Å; D279-T300 PolarHBondContact OD1-OG1 2.92Å
280	D	87.2	Confident	92.4	Very high	104 Å²	104	51.6 Å²	51.6	56%	0.556	30%	0.295	S	S	*	.			trans	-84.2	38.7	-168.2	-171.5	40.1	0	0	0	115.4	K178 T278	K178-D280 PolarHBondContact NZ-O 3.32Å; K178-D280 IonicContact NZ-OD1 3.17Å; K178-D280 PolarHBondContact NZ-OD1 3.33Å; K178-D280 IonicContact NZ-OD2 3.54Å; K178-D280 PolarHBondContact NZ-OD2 3.47Å; T278-D280 PolarHBondContact OG1-N 3.17Å
281	L	88.2	Confident	92	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.183	31%	0.312	C	S	.	.			trans	-127.7	119.7	-174.2	-175.1	69	0	0	0	112.9	T278 D279 S283 T297 N299	T278-L281 HydrophobicContact CG2-CB 4.05Å; D279-L281 VanDerWaalsContact C-N 3.31Å; D279-L281 PolarHBondContact O-N 2.84Å; L281-S283 WeakPolarHBondContact CD2-O 3.48Å; L281-S283 WeakPolarHBondContact CG-O 3.47Å; L281-S283 PolarHBondContact O-N 3.46Å; L281-T297 HydrophobicContact CD2-CG2 4.09Å; L281-N299 HydrophobicContact CB-CB 4.14Å; L281-N299 HydrophobicContact CD2-CB 4.42Å; L281-N299 PolarHBondContact O-ND2 3.38Å
282	L	85.1	Confident	91.6	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.225	31%	0.313	C	S	.	.	S	Bend	trans	-66.9	-6.7	179.3	-65.4	178.2	0	0	0	114.4	K178 V406 R407	K178-L282 HydrophobicContact CG-CD1 4.15Å; L282-V406 HydrophobicContact CD1-CG1 4.33Å; L282-V406 HydrophobicContact CD2-CG1 3.83Å; L282-R407 WeakPolarHBondContact O-CD 3.1Å; L282-R407 PolarHBondContact O-NH1 3.19Å
283	S	88.9	Confident	91.4	Very high	31 Å²	31	57.2 Å²	57.2	22%	0.217	32%	0.321	C	S	.	.	S	Bend	trans	-118.9	163.7	175.9	51.4	0	0	0	0	111.1	L281 A285 N299 R407	L281-S283 WeakPolarHBondContact CD2-O 3.48Å; L281-S283 WeakPolarHBondContact CG-O 3.47Å; L281-S283 PolarHBondContact O-N 3.46Å; S283-A285 WeakPolarHBondContact CB-O 3.36Å; S283-A285 PolarHBondContact OG-O 3.13Å; S283-N299 WeakPolarHBondContact O-CB 3.5Å; S283-R407 VanDerWaalsContact CA-NH1 3.32Å
284	R	92.6	Very high	91.3	Very high	47 Å²	47	57.6 Å²	57.6	18%	0.177	32%	0.324	C	S	.	.	S	Bend	trans	-68.7	-37.4	178.5	-62.8	-162.9	168.5	170.9	-7.5	111.8	Y239 E243 N299 S302 M311	Y239-R284 PolarHBondContact OH-NH2 2.69Å; E243-R284 IonicContact OE1-NH2 2.67Å; E243-R284 PolarHBondContact OE1-NH2 3.25Å; R284-N299 PolarHBondContact O-N 2.98Å; R284-S302 VanDerWaalsContact CA-OG 3.3Å; R284-S302 WeakPolarHBondContact CA-OG 3.47Å; R284-S302 WeakPolarHBondContact CB-OG 3.2Å; R284-S302 WeakPolarHBondContact CG-OG 3.41Å; R284-M311 HydrophobicContact CB-SD 4.28Å
285	A	94.7	Very high	91.2	Very high	6 Å²	6	55.6 Å²	55.6	5%	0.05	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-178.5	162.3	0	0	0	0	0	110.7	S283 T297 I298 M311 E315	S283-A285 WeakPolarHBondContact CB-O 3.36Å; S283-A285 PolarHBondContact OG-O 3.13Å; A285-T297 CarbonylContact C-O 3.2Å; A285-T297 WeakPolarHBondContact CA-O 3.27Å; A285-T297 VanDerWaalsContact CB-O 3.26Å; A285-T297 WeakPolarHBondContact CB-O 3.34Å; A285-I298 HydrophobicContact CB-CG1 4.35Å; A285-M311 HydrophobicContact CB-CE 3.78Å; A285-M311 HydrophobicContact CB-CG 3.91Å; A285-M311 HydrophobicContact CB-SD 3.63Å; A285-E315 HydrophobicContact CB-CG 3.6Å; A285-E315 WeakPolarHBondContact CB-OE1 3.31Å
286	S	92.5	Very high	91.2	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	119.4	171.5	-175.9	0	0	0	0	111.1	T297 E315	S286-T297 PolarHBondContact N-O 3.46Å; S286-T297 PolarHBondContact O-N 3.29Å; S286-E315 PolarHBondContact N-OE1 3.24Å
287	M	93.5	Very high	91.2	Very high	36 Å²	36	51.6 Å²	51.6	18%	0.177	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	164.9	-172.7	59.9	59.9	0	0	110.9	I273 P294 M296 E315 I316 H319 Y320	I273-M287 HydrophobicContact CD1-CE 4.39Å; I273-M287 HydrophobicContact CG2-CE 4.08Å; I273-M287 HydrophobicContact CG2-SD 4.25Å; M287-P294 HydrophobicContact SD-CB 4.46Å; M287-M296 HydrophobicContact CE-CB 3.72Å; M287-M296 HydrophobicContact CE-CG 4.16Å; M287-M296 HydrophobicContact CE-SD 4.42Å; M287-M296 HydrophobicContact SD-CB 4.43Å; M287-E315 HydrophobicContact CB-CB 4.49Å; M287-E315 VanDerWaalsContact CB-OE2 3.29Å; M287-E315 WeakPolarHBondContact CB-OE2 3.25Å; M287-E315 HydrophobicContact CE-CB 4.12Å; M287-E315 PolarHBondContact N-OE2 3.35Å; M287-I316 HydrophobicContact CE-CG1 4.26Å; M287-H319 HydrophobicContact CB-CB 4.3Å; M287-Y320 HydrophobicContact SD-CD2 4.42Å
288	T	90.9	Very high	91.3	Very high	38 Å²	38	50.4 Å²	50.4	23%	0.233	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.4	-179.8	62.8	0	0	0	0	111.5	T295	T288-T295 PolarHBondContact N-O 3.42Å; T288-T295 PolarHBondContact O-N 2.98Å; T288-T295 PolarHBondContact OG1-O 3.45Å; T288-T295 VanDerWaalsContact OG1-O 3.12Å
289	M	89.4	Confident	91.4	Very high	126 Å²	126	48.8 Å²	48.8	62%	0.621	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.7	168.9	-61.9	-59.4	-65.1	0	0	108.6	G292 P294	M289-G292 WeakPolarHBondContact CE-O 3.25Å; M289-P294 HydrophobicContact CE-CG 4.09Å; M289-P294 HydrophobicContact SD-CB 4.2Å; M289-P294 HydrophobicContact SD-CG 4.1Å
290	V	87.6	Confident	91.6	Very high	62 Å²	62	45.1 Å²	45.1	38%	0.376	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120	178.6	-179.4	0	0	0	0	107.7	G292 Q293 T295	V290-G292 PolarHBondContact O-N 3.45Å; V290-G292 VanDerWaalsContact O-N 3.08Å; V290-Q293 PolarHBondContact N-O 3.36Å; V290-Q293 WeakPolarHBondContact O-CB 3.3Å; V290-Q293 PolarHBondContact O-N 3.11Å; V290-T295 HydrophobicContact CG2-CG2 4.19Å
291	N	87	Confident	91.8	Very high	172 Å²	172	43.2 Å²	43.2	92%	0.92	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	31.4	-177.6	-57.5	-13.9	0	0	0	114.4	Q293	N291-Q293 VanDerWaalsContact C-N 3.33Å
292	G	86.4	Confident	92	Very high	64 Å²	64	42.3 Å²	42.3	66%	0.66	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-6.3	-175.9	0	0	0	0	0	115.1	M289 V290	M289-G292 WeakPolarHBondContact CE-O 3.25Å; V290-G292 PolarHBondContact O-N 3.45Å; V290-G292 VanDerWaalsContact O-N 3.08Å
293	Q	90.6	Very high	92.5	Very high	99 Å²	99	40.3 Å²	40.3	46%	0.463	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.3	179.9	-162.2	167.5	21.1	0	0	111.9	V274 V290 N291 T295	V274-Q293 HydrophobicContact CG2-CG 3.89Å; V290-Q293 PolarHBondContact N-O 3.36Å; V290-Q293 WeakPolarHBondContact O-CB 3.3Å; V290-Q293 PolarHBondContact O-N 3.11Å; N291-Q293 VanDerWaalsContact C-N 3.33Å; Q293-T295 PolarHBondContact O-N 3.28Å; Q293-T295 PolarHBondContact O-OG1 3.44Å
294	P	94.8	Very high	92.9	Very high	19 Å²	19	40.2 Å²	40.2	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	126.9	171.5	-20	32	0	0	0	110.4	E272 I273 V274 M287 M289 Y320	E272-P294 WeakPolarHBondContact O-CG 3.49Å; I273-P294 WeakPolarHBondContact CA-O 3.47Å; I273-P294 HydrophobicContact CG1-CB 4.45Å; I273-P294 HydrophobicContact CG2-CB 4.29Å; V274-P294 PolarHBondContact N-O 3.37Å; M287-P294 HydrophobicContact SD-CB 4.46Å; M289-P294 HydrophobicContact CE-CG 4.09Å; M289-P294 HydrophobicContact SD-CB 4.2Å; M289-P294 HydrophobicContact SD-CG 4.1Å; P294-Y320 HydrophobicContact CB-CD2 4Å; P294-Y320 HydrophobicContact CB-CE2 3.57Å; P294-Y320 HydrophobicContact CG-CD2 4.33Å; P294-Y320 HydrophobicContact CG-CE2 3.47Å; P294-Y320 VanDerWaalsContact CG-CE2 3.47Å
295	T	94.8	Very high	93.1	Very high	4 Å²	4	43 Å²	43	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.1	-176.9	-58.7	0	0	0	0	110.4	V274 Q276 T288 V290 Q293	V274-T295 HydrophobicContact CB-CG2 4.37Å; V274-T295 HydrophobicContact CG1-CG2 4.24Å; V274-T295 CarbonylContact O-C 3.44Å; V274-T295 VanDerWaalsContact O-CA 3.29Å; V274-T295 WeakPolarHBondContact O-CA 2.99Å; Q276-T295 HydrophobicContact CG-CG2 4.14Å; T288-T295 PolarHBondContact N-O 3.42Å; T288-T295 PolarHBondContact O-N 2.98Å; T288-T295 PolarHBondContact OG1-O 3.45Å; T288-T295 VanDerWaalsContact OG1-O 3.12Å; V290-T295 HydrophobicContact CG2-CG2 4.19Å; Q293-T295 PolarHBondContact O-N 3.28Å; Q293-T295 PolarHBondContact O-OG1 3.44Å
296	M	95.8	Very high	93.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.5	174.5	-176.6	178.4	54	0	0	110.1	V260 I273 V274 V275 Q276 M287 I298 L312 E315 I316	V260-M296 HydrophobicContact CG1-CE 3.78Å; V260-M296 HydrophobicContact CG2-CE 4.48Å; I273-M296 HydrophobicContact CG2-CB 4.05Å; V274-M296 PolarHBondContact O-N 3.46Å; V275-M296 WeakPolarHBondContact CA-O 3.27Å; V275-M296 HydrophobicContact CG1-CE 4.22Å; V275-M296 HydrophobicContact CG2-CE 3.86Å; Q276-M296 PolarHBondContact N-O 2.85Å; M287-M296 HydrophobicContact CE-CB 3.72Å; M287-M296 HydrophobicContact CE-CG 4.16Å; M287-M296 HydrophobicContact CE-SD 4.42Å; M287-M296 HydrophobicContact SD-CB 4.43Å; M296-I298 HydrophobicContact CE-CD1 3.94Å; M296-I298 HydrophobicContact CE-CG1 4.43Å; M296-I298 HydrophobicContact CG-CG1 4.24Å; M296-I298 HydrophobicContact SD-CD1 4.43Å; M296-I298 HydrophobicContact SD-CG1 4.45Å; M296-L312 HydrophobicContact CE-CD2 3.79Å; M296-L312 HydrophobicContact SD-CD2 3.83Å; M296-E315 HydrophobicContact CG-CB 4.19Å; M296-E315 HydrophobicContact CG-CG 4.36Å; M296-E315 HydrophobicContact SD-CB 3.74Å; M296-E315 HydrophobicContact SD-CG 4.2Å; M296-I316 HydrophobicContact CE-CD1 3.82Å; M296-I316 HydrophobicContact CE-CG1 4.26Å; M296-I316 HydrophobicContact SD-CD1 4.08Å; M296-I316 HydrophobicContact SD-CG1 3.87Å
297	T	95.9	Very high	93.5	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.129	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.9	171.2	-46.1	0	0	0	0	109.6	Q276 T278 L281 A285 S286	Q276-T297 HydrophobicContact CB-CG2 4.12Å; Q276-T297 CarbonylContact O-C 3.34Å; Q276-T297 WeakPolarHBondContact O-CA 3.41Å; Q276-T297 PolarHBondContact OE1-OG1 2.84Å; T278-T297 HydrophobicContact CG2-CG2 3.55Å; L281-T297 HydrophobicContact CD2-CG2 4.09Å; A285-T297 CarbonylContact C-O 3.2Å; A285-T297 WeakPolarHBondContact CA-O 3.27Å; A285-T297 VanDerWaalsContact CB-O 3.26Å; A285-T297 WeakPolarHBondContact CB-O 3.34Å; S286-T297 PolarHBondContact N-O 3.46Å; S286-T297 PolarHBondContact O-N 3.29Å
298	I	97	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.6	-179.2	-59.6	177.3	0	0	0	109.5	I256 V260 V275 Q276 T278 A285 M296 A303 M311 L312	I256-I298 HydrophobicContact CG2-CD1 3.99Å; I256-I298 HydrophobicContact CG2-CG2 4.29Å; V260-I298 HydrophobicContact CG2-CD1 3.67Å; V275-I298 HydrophobicContact CG1-CD1 4.23Å; Q276-I298 PolarHBondContact O-N 3.45Å; T278-I298 PolarHBondContact N-O 3.19Å; A285-I298 HydrophobicContact CB-CG1 4.35Å; M296-I298 HydrophobicContact CE-CD1 3.94Å; M296-I298 HydrophobicContact CE-CG1 4.43Å; M296-I298 HydrophobicContact CG-CG1 4.24Å; M296-I298 HydrophobicContact SD-CD1 4.43Å; M296-I298 HydrophobicContact SD-CG1 4.45Å; I298-A303 HydrophobicContact CG2-CB 4.32Å; I298-M311 HydrophobicContact CB-CE 4.24Å; I298-M311 HydrophobicContact CD1-CE 3.76Å; I298-M311 HydrophobicContact CG1-CE 3.67Å; I298-M311 HydrophobicContact CG2-CE 3.71Å; I298-M311 HydrophobicContact CG2-SD 4.25Å; I298-L312 HydrophobicContact CD1-CD2 4.4Å
299	N	95.6	Very high	94	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.6	170.9	-163.6	-27.7	0	0	0	112.6	T278 D279 L281 S283 R284 S301 S302 A303	T278-N299 VanDerWaalsContact O-CA 3.24Å; T278-N299 WeakPolarHBondContact O-CA 3.36Å; T278-N299 PolarHBondContact O-OD1 3.04Å; D279-N299 PolarHBondContact O-ND2 3.27Å; D279-N299 VanDerWaalsContact O-ND2 3.13Å; L281-N299 HydrophobicContact CB-CB 4.14Å; L281-N299 HydrophobicContact CD2-CB 4.42Å; L281-N299 PolarHBondContact O-ND2 3.38Å; S283-N299 WeakPolarHBondContact O-CB 3.5Å; R284-N299 PolarHBondContact O-N 2.98Å; N299-S301 VanDerWaalsContact C-N 3.3Å; N299-S301 PolarHBondContact ND2-OG 2.81Å; N299-S301 PolarHBondContact O-N 3.23Å; N299-S301 PolarHBondContact OD1-N 3.43Å; N299-S301 PolarHBondContact OD1-OG 3.23Å; N299-S302 PolarHBondContact O-N 3.4Å; N299-S302 VanDerWaalsContact O-N 3.12Å; N299-S302 PolarHBondContact O-OG 3.41Å; N299-A303 PolarHBondContact O-N 3.49Å
300	T	95.1	Very high	94.4	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.086	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.7	-38.1	174.9	6.5	0	0	0	0	113.8	R253 I256 V277 T278 D279 S302 A303	R253-T300 HydrophobicContact CG-CG2 3.68Å; R253-T300 PolarHBondContact NH2-OG1 3.3Å; I256-T300 HydrophobicContact CD1-CG2 3.67Å; V277-T300 HydrophobicContact CG1-CG2 3.77Å; T278-T300 VanDerWaalsContact C-OG1 3.31Å; T278-T300 PolarHBondContact O-N 2.97Å; T278-T300 VanDerWaalsContact O-N 3.11Å; T278-T300 PolarHBondContact O-OG1 2.79Å; T278-T300 VanDerWaalsContact O-OG1 3.07Å; D279-T300 VanDerWaalsContact CG-OG1 3.22Å; D279-T300 VanDerWaalsContact OD1-CB 3.27Å; D279-T300 WeakPolarHBondContact OD1-CB 3.42Å; D279-T300 PolarHBondContact OD1-OG1 2.92Å; T300-S302 PolarHBondContact O-N 2.93Å; T300-A303 PolarHBondContact O-N 2.88Å
301	S	92	Very high	94.9	Very high	64 Å²	64	39.8 Å²	39.8	45%	0.448	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-66.7	-9	179.9	74.3	0	0	0	0	114	L250 N299	L250-S301 VanDerWaalsContact CD2-O 3.3Å; L250-S301 WeakPolarHBondContact CD2-O 3.41Å; N299-S301 VanDerWaalsContact C-N 3.3Å; N299-S301 PolarHBondContact ND2-OG 2.81Å; N299-S301 PolarHBondContact O-N 3.23Å; N299-S301 PolarHBondContact OD1-N 3.43Å; N299-S301 PolarHBondContact OD1-OG 3.23Å
302	S	92	Very high	95.4	Very high	16 Å²	16	31.7 Å²	31.7	11%	0.112	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-123.3	-6.6	-176.2	77	0	0	0	0	114.7	R284 N299 T300 R304	R284-S302 VanDerWaalsContact CA-OG 3.3Å; R284-S302 WeakPolarHBondContact CA-OG 3.47Å; R284-S302 WeakPolarHBondContact CB-OG 3.2Å; R284-S302 WeakPolarHBondContact CG-OG 3.41Å; N299-S302 PolarHBondContact O-N 3.4Å; N299-S302 VanDerWaalsContact O-N 3.12Å; N299-S302 PolarHBondContact O-OG 3.41Å; T300-S302 PolarHBondContact O-N 2.93Å; S302-R304 VanDerWaalsContact C-N 3.34Å; S302-R304 PolarHBondContact O-N 3.5Å
303	A	96.3	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-80.8	77.9	-175.2	0	0	0	0	0	110.9	L251 I256 I298 N299 T300	L251-A303 VanDerWaalsContact CB-O 3.31Å; L251-A303 WeakPolarHBondContact CB-O 3.39Å; L251-A303 WeakPolarHBondContact CG-O 3.48Å; L251-A303 PolarHBondContact N-O 3.2Å; I256-A303 HydrophobicContact CD1-CB 3.49Å; I256-A303 VanDerWaalsContact CD1-CB 3.49Å; I256-A303 HydrophobicContact CG1-CB 3.9Å; I298-A303 HydrophobicContact CG2-CB 4.32Å; N299-A303 PolarHBondContact O-N 3.49Å; T300-A303 PolarHBondContact O-N 2.88Å
304	R	97.1	Very high	96.3	Very high	30 Å²	30	26.1 Å²	26.1	11%	0.113	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-90	147.4	179.1	-65.7	-178.1	170.7	-95.2	10.8	113.1	E243 G247 G248 N249 L250 S302 H306 W307 L308	E243-R304 IonicContact OE2-CZ 3.45Å; E243-R304 IonicContact OE2-NE 3.28Å; E243-R304 PolarHBondContact OE2-NE 3.24Å; E243-R304 IonicContact OE2-NH2 2.72Å; E243-R304 PolarHBondContact OE2-NH2 3.11Å; G247-R304 CarbonylContact O-C 3.54Å; G247-R304 WeakPolarHBondContact O-CB 3.4Å; G248-R304 WeakPolarHBondContact O-CD 3.48Å; G248-R304 PolarHBondContact O-NH1 3.5Å; N249-R304 CarbonylContact O-C 3.52Å; N249-R304 VanDerWaalsContact O-CA 3.29Å; N249-R304 WeakPolarHBondContact O-CA 3.37Å; L250-R304 HydrophobicContact CD2-CG 3.68Å; L250-R304 HydrophobicContact CG-CG 4.29Å; S302-R304 VanDerWaalsContact C-N 3.34Å; S302-R304 PolarHBondContact O-N 3.5Å; R304-H306 PolarHBondContact O-N 3.1Å; R304-W307 HydrophobicContact CB-CB 4.48Å; R304-W307 PolarHBondContact O-N 3.2Å; R304-L308 PolarHBondContact O-N 3.44Å
305	E	96.5	Very high	96.5	Very high	104 Å²	104	25.7 Å²	25.7	49%	0.486	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-51.3	-170.7	-171	178.9	164.7	0	0	114.9	G247 N249 L251	G247-E305 PolarHBondContact O-N 3.37Å; N249-E305 PolarHBondContact O-N 2.77Å; L251-E305 HydrophobicContact CD2-CB 3.98Å; L251-E305 HydrophobicContact CD2-CG 4.2Å; L251-E305 HydrophobicContact CG-CB 4.45Å
306	H	97.1	Very high	96.6	Very high	99 Å²	99	25.5 Å²	25.5	46%	0.458	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.4	-175.6	-51.6	-22.4	0	0	0	113.3	G247 R304	G247-H306 WeakPolarHBondContact O-CB 3.26Å; G247-H306 PolarHBondContact O-N 3.05Å; R304-H306 PolarHBondContact O-N 3.1Å
307	W	97.4	Very high	96.7	Very high	11 Å²	11	25.5 Å²	25.5	4%	0.042	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-23.1	179.4	-73.5	0	0	0	0	113.7	F242 E243 T246 G247 R304 E309 G310 M311 R361	F242-W307 HydrophobicContact CE1-CH2 4.4Å; F242-W307 HydrophobicContact CE1-CZ2 4.16Å; F242-W307 HydrophobicContact CZ-CZ2 4.35Å; E243-W307 HydrophobicContact CB-CH2 3.86Å; E243-W307 HydrophobicContact CB-CZ3 4.5Å; E243-W307 HydrophobicContact CG-CH2 3.56Å; E243-W307 HydrophobicContact CG-CZ2 4.45Å; E243-W307 HydrophobicContact CG-CZ3 3.71Å; E243-W307 VanDerWaalsContact OE1-CZ3 3.29Å; E243-W307 WeakPolarHBondContact OE1-CZ3 3.13Å; T246-W307 VanDerWaalsContact C-NE1 3.32Å; T246-W307 PolarHBondContact O-NE1 3.3Å; T246-W307 WeakPolarHBondContact OG1-CZ2 3.19Å; G247-W307 VanDerWaalsContact CA-NE1 3.34Å; R304-W307 HydrophobicContact CB-CB 4.48Å; R304-W307 PolarHBondContact O-N 3.2Å; W307-E309 PolarHBondContact O-N 2.96Å; W307-G310 PolarHBondContact O-N 2.68Å; W307-G310 VanDerWaalsContact O-N 3.15Å; W307-M311 PolarHBondContact O-N 3.02Å; W307-M311 VanDerWaalsContact O-N 3.12Å; W307-R361 VanDerWaalsContact CD1-CZ 3.48Å; W307-R361 VanDerWaalsContact CE2-NH1 3.26Å
308	L	97.8	Very high	96.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-47.5	-175.1	178.9	60.3	0	0	0	112.3	L251 I256 N259 R304 G310 M311 L312	L251-L308 HydrophobicContact CD1-CB 4.08Å; L251-L308 HydrophobicContact CD1-CD2 3.47Å; L251-L308 VanDerWaalsContact CD1-CD2 3.47Å; L251-L308 HydrophobicContact CD1-CG 4.38Å; I256-L308 HydrophobicContact CG2-CD1 4.46Å; I256-L308 HydrophobicContact CG2-CD2 4.28Å; N259-L308 HydrophobicContact CB-CD2 3.63Å; R304-L308 PolarHBondContact O-N 3.44Å; L308-G310 VanDerWaalsContact C-N 3.28Å; L308-G310 PolarHBondContact O-N 2.67Å; L308-M311 HydrophobicContact CD1-CE 3.54Å; L308-M311 HydrophobicContact CD1-SD 4.42Å; L308-M311 WeakPolarHBondContact O-CA 3.31Å; L308-M311 WeakPolarHBondContact O-CB 3.25Å; L308-M311 PolarHBondContact O-N 2.93Å; L308-L312 HydrophobicContact CD1-CG 4.43Å; L308-L312 HydrophobicContact CG-CD1 4.39Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 2.9Å
309	E	97.5	Very high	96.9	Very high	80 Å²	80	25.7 Å²	25.7	37%	0.374	13%	0.128	S	C	.	.	H	α-helix	trans	-62.2	-36.1	-179.4	-155.3	-158.9	158.4	0	0	112.1	Y263 K266 W307 M311 L312 R313	Y263-E309 HydrophobicContact CD2-CG 3.77Å; Y263-E309 HydrophobicContact CE2-CG 4.08Å; K266-E309 IonicContact NZ-OE1 3.84Å; W307-E309 PolarHBondContact O-N 2.96Å; E309-M311 VanDerWaalsContact C-N 3.34Å; E309-M311 PolarHBondContact O-N 3.23Å; E309-L312 PolarHBondContact O-N 3.01Å; E309-L312 VanDerWaalsContact O-N 3.15Å; E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.28Å; E309-R313 IonicContact OE1-CZ 2.85Å; E309-R313 IonicContact OE1-NE 2.72Å; E309-R313 IonicContact OE1-NH2 2.88Å; E309-R313 PolarHBondContact OE1-NH2 3.11Å; E309-R313 IonicContact OE2-CZ 3.8Å; E309-R313 IonicContact OE2-NH2 2.87Å; E309-R313 PolarHBondContact OE2-NH2 2.55Å
310	G	97.8	Very high	97	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-38.9	173.2	0	0	0	0	0	112.6	W307 L308 L312 R313 H314 S357	W307-G310 PolarHBondContact O-N 2.68Å; W307-G310 VanDerWaalsContact O-N 3.15Å; L308-G310 VanDerWaalsContact C-N 3.28Å; L308-G310 PolarHBondContact O-N 2.67Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.18Å; G310-R313 PolarHBondContact O-N 2.92Å; G310-H314 PolarHBondContact O-N 3.3Å; G310-S357 WeakPolarHBondContact O-CA 3.03Å
311	M	97.8	Very high	97.1	Very high	20 Å²	20	25.6 Å²	25.6	10%	0.099	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-32.4	173.2	-170.2	-160.1	80.8	0	0	112.1	R284 A285 I298 W307 L308 E309 H314 E315	R284-M311 HydrophobicContact CB-SD 4.28Å; A285-M311 HydrophobicContact CB-CE 3.78Å; A285-M311 HydrophobicContact CB-CG 3.91Å; A285-M311 HydrophobicContact CB-SD 3.63Å; I298-M311 HydrophobicContact CB-CE 4.24Å; I298-M311 HydrophobicContact CD1-CE 3.76Å; I298-M311 HydrophobicContact CG1-CE 3.67Å; I298-M311 HydrophobicContact CG2-CE 3.71Å; I298-M311 HydrophobicContact CG2-SD 4.25Å; W307-M311 PolarHBondContact O-N 3.02Å; W307-M311 VanDerWaalsContact O-N 3.12Å; L308-M311 HydrophobicContact CD1-CE 3.54Å; L308-M311 HydrophobicContact CD1-SD 4.42Å; L308-M311 WeakPolarHBondContact O-CA 3.31Å; L308-M311 WeakPolarHBondContact O-CB 3.25Å; L308-M311 PolarHBondContact O-N 2.93Å; E309-M311 VanDerWaalsContact C-N 3.34Å; E309-M311 PolarHBondContact O-N 3.23Å; M311-H314 VanDerWaalsContact O-CB 3.31Å; M311-H314 WeakPolarHBondContact O-CB 3.33Å; M311-H314 PolarHBondContact O-N 3.23Å; M311-E315 PolarHBondContact O-N 3.1Å
312	L	98.3	Very high	97.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-72.2	-33.9	173	-57.6	177.7	0	0	0	112.2	V260 Y263 M296 I298 L308 E309 G310 H314 I316 G317	V260-L312 HydrophobicContact CG2-CD1 4.14Å; V260-L312 HydrophobicContact CG2-CD2 3.94Å; Y263-L312 HydrophobicContact CD1-CB 3.9Å; Y263-L312 HydrophobicContact CD1-CD1 4.48Å; Y263-L312 HydrophobicContact CD2-CB 3.77Å; Y263-L312 HydrophobicContact CD2-CD1 4.16Å; Y263-L312 HydrophobicContact CE1-CB 4.07Å; Y263-L312 HydrophobicContact CE2-CB 3.92Å; Y263-L312 HydrophobicContact CG-CB 3.77Å; Y263-L312 HydrophobicContact CG-CD1 3.83Å; Y263-L312 HydrophobicContact CG-CG 4.44Å; M296-L312 HydrophobicContact CE-CD2 3.79Å; M296-L312 HydrophobicContact SD-CD2 3.83Å; I298-L312 HydrophobicContact CD1-CD2 4.4Å; L308-L312 HydrophobicContact CD1-CG 4.43Å; L308-L312 HydrophobicContact CG-CD1 4.39Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 2.9Å; E309-L312 PolarHBondContact O-N 3.01Å; E309-L312 VanDerWaalsContact O-N 3.15Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.18Å; L312-H314 VanDerWaalsContact C-N 3.3Å; L312-H314 PolarHBondContact O-N 3.38Å; L312-I316 HydrophobicContact CD2-CD1 4.34Å; L312-I316 WeakPolarHBondContact O-CA 3.32Å; L312-I316 WeakPolarHBondContact O-CB 3.45Å; L312-I316 PolarHBondContact O-N 3.47Å; L312-G317 PolarHBondContact O-N 3.12Å
313	R	98.4	Very high	97.6	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.068	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-33	168.6	-61.4	179.5	-166.4	116	-0.2	112.4	Y263 E309 G310 G317 T318 H356 F474	Y263-R313 HydrophobicContact CE2-CG 3.88Å; Y263-R313 WeakPolarHBondContact OH-CA 3.34Å; Y263-R313 WeakPolarHBondContact OH-CG 3.4Å; E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.28Å; E309-R313 IonicContact OE1-CZ 2.85Å; E309-R313 IonicContact OE1-NE 2.72Å; E309-R313 IonicContact OE1-NH2 2.88Å; E309-R313 PolarHBondContact OE1-NH2 3.11Å; E309-R313 IonicContact OE2-CZ 3.8Å; E309-R313 IonicContact OE2-NH2 2.87Å; E309-R313 PolarHBondContact OE2-NH2 2.55Å; G310-R313 PolarHBondContact O-N 2.92Å; R313-G317 CarbonylContact O-C 3.52Å; R313-G317 VanDerWaalsContact O-CA 3.23Å; R313-G317 WeakPolarHBondContact O-CA 3.33Å; R313-G317 PolarHBondContact O-N 3.28Å; R313-T318 PolarHBondContact O-N 3.45Å; R313-T318 PolarHBondContact O-OG1 3.05Å; R313-H356 HydrophobicContact CB-CB 4.04Å; R313-F474 HydrophobicContact CB-CD1 4.33Å; R313-F474 HydrophobicContact CB-CE1 3.78Å; R313-F474 HydrophobicContact CB-CZ 4.01Å; R313-F474 HydrophobicContact CG-CD1 3.68Å; R313-F474 HydrophobicContact CG-CE1 3.64Å; R313-F474 HydrophobicContact CG-CG 4.29Å; R313-F474 HydrophobicContact CG-CZ 4.25Å
314	H	98.2	Very high	97.6	Very high	28 Å²	28	25 Å²	25	13%	0.13	12%	0.121	C	C	.	.	H	α-helix	trans	-64.4	-61.9	172.8	-167.6	96.9	0	0	0	111	G310 M311 L312 T318 H319 A353	G310-H314 PolarHBondContact O-N 3.3Å; M311-H314 VanDerWaalsContact O-CB 3.31Å; M311-H314 WeakPolarHBondContact O-CB 3.33Å; M311-H314 PolarHBondContact O-N 3.23Å; L312-H314 VanDerWaalsContact C-N 3.3Å; L312-H314 PolarHBondContact O-N 3.38Å; H314-T318 WeakPolarHBondContact O-CB 3.2Å; H314-T318 PolarHBondContact O-N 3.16Å; H314-T318 PolarHBondContact O-OG1 2.73Å; H314-H319 AromaticContact CD2-CD2 3.99Å; H314-H319 AromaticContact CD2-NE2 3.84Å; H314-H319 AromaticContact NE2-NE2 3.66Å; H314-H319 PolarHBondContact O-N 2.89Å; H314-H319 VanDerWaalsContact O-N 3.16Å; H314-A353 WeakPolarHBondContact ND1-CB 3.29Å; H314-A353 PolarHBondContact ND1-O 2.94Å
315	E	97.9	Very high	97.6	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.051	12%	0.115	C	C	.	.	I	π-helix	trans	-74.9	-52.5	-172.6	-58.4	-63.7	170.1	0	0	113.2	A285 S286 M287 M296 M311 H319 Y320	A285-E315 HydrophobicContact CB-CG 3.6Å; A285-E315 WeakPolarHBondContact CB-OE1 3.31Å; S286-E315 PolarHBondContact N-OE1 3.24Å; M287-E315 HydrophobicContact CB-CB 4.49Å; M287-E315 VanDerWaalsContact CB-OE2 3.29Å; M287-E315 WeakPolarHBondContact CB-OE2 3.25Å; M287-E315 HydrophobicContact CE-CB 4.12Å; M287-E315 PolarHBondContact N-OE2 3.35Å; M296-E315 HydrophobicContact CG-CB 4.19Å; M296-E315 HydrophobicContact CG-CG 4.36Å; M296-E315 HydrophobicContact SD-CB 3.74Å; M296-E315 HydrophobicContact SD-CG 4.2Å; M311-E315 PolarHBondContact O-N 3.1Å; E315-H319 WeakPolarHBondContact O-CB 3.35Å; E315-H319 PolarHBondContact O-N 3.25Å; E315-H319 IonicContact OE2-CD2 3.89Å; E315-Y320 PolarHBondContact O-N 3.36Å
316	I	98.1	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-84.9	-56.2	-176.3	-55.4	176.5	0	0	0	109.6	Y263 M264 I273 M287 M296 L312 T318 Y320 F321	Y263-I316 HydrophobicContact CD1-CB 4.42Å; Y263-I316 HydrophobicContact CD1-CD1 3.91Å; Y263-I316 HydrophobicContact CD1-CG2 4.46Å; Y263-I316 HydrophobicContact CE1-CB 3.86Å; Y263-I316 HydrophobicContact CE1-CD1 4.22Å; Y263-I316 HydrophobicContact CE1-CG2 3.94Å; M264-I316 HydrophobicContact CG-CD1 3.9Å; M264-I316 HydrophobicContact SD-CD1 4.46Å; I273-I316 HydrophobicContact CD1-CB 4.39Å; I273-I316 HydrophobicContact CD1-CD1 4.12Å; I273-I316 HydrophobicContact CD1-CG1 3.87Å; I273-I316 HydrophobicContact CD1-CG2 3.83Å; M287-I316 HydrophobicContact CE-CG1 4.26Å; M296-I316 HydrophobicContact CE-CD1 3.82Å; M296-I316 HydrophobicContact CE-CG1 4.26Å; M296-I316 HydrophobicContact SD-CD1 4.08Å; M296-I316 HydrophobicContact SD-CG1 3.87Å; L312-I316 HydrophobicContact CD2-CD1 4.34Å; L312-I316 WeakPolarHBondContact O-CA 3.32Å; L312-I316 WeakPolarHBondContact O-CB 3.45Å; L312-I316 PolarHBondContact O-N 3.47Å; I316-T318 PolarHBondContact O-N 2.74Å; I316-T318 VanDerWaalsContact O-N 3.14Å; I316-Y320 HydrophobicContact CG2-CD1 4.26Å; I316-Y320 WeakPolarHBondContact O-CB 3.4Å; I316-F321 HydrophobicContact CG2-CE1 4.35Å; I316-F321 PolarHBondContact O-N 3.27Å
317	G	97.8	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-64.8	-17.1	-176	0	0	0	0	0	115	L312 R313 M447 P472	L312-G317 PolarHBondContact O-N 3.12Å; R313-G317 CarbonylContact O-C 3.52Å; R313-G317 VanDerWaalsContact O-CA 3.23Å; R313-G317 WeakPolarHBondContact O-CA 3.33Å; R313-G317 PolarHBondContact O-N 3.28Å; G317-M447 WeakPolarHBondContact O-CE 3.43Å; G317-P472 WeakPolarHBondContact O-CG 3.31Å
318	T	98	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-120.6	-71.6	177.7	-36.4	0	0	0	0	110.9	R313 H314 I316 Y320 R322 L352 A353 H356	R313-T318 PolarHBondContact O-N 3.45Å; R313-T318 PolarHBondContact O-OG1 3.05Å; H314-T318 WeakPolarHBondContact O-CB 3.2Å; H314-T318 PolarHBondContact O-N 3.16Å; H314-T318 PolarHBondContact O-OG1 2.73Å; I316-T318 PolarHBondContact O-N 2.74Å; I316-T318 VanDerWaalsContact O-N 3.14Å; T318-Y320 PolarHBondContact O-N 2.93Å; T318-R322 VanDerWaalsContact CG2-CD 3.47Å; T318-R322 WeakPolarHBondContact O-CB 3.24Å; T318-R322 WeakPolarHBondContact O-CD 3.29Å; T318-R322 WeakPolarHBondContact O-CG 3.39Å; T318-R322 PolarHBondContact O-N 3.45Å; T318-L352 HydrophobicContact CG2-CB 4.29Å; T318-L352 HydrophobicContact CG2-CD2 4.19Å; T318-L352 HydrophobicContact CG2-CG 4.09Å; T318-A353 HydrophobicContact CG2-CB 3.8Å; T318-H356 PolarHBondContact OG1-ND1 3.47Å
319	H	97.8	Very high	97.4	Very high	24 Å²	24	22.5 Å²	22.5	11%	0.111	12%	0.122	C	C	.	.	I	π-helix	trans	-65.4	-36.3	-169.5	-66	-41.5	0	0	0	113.9	M287 H314 E315 G323 E349 K451	M287-H319 HydrophobicContact CB-CB 4.3Å; H314-H319 AromaticContact CD2-CD2 3.99Å; H314-H319 AromaticContact CD2-NE2 3.84Å; H314-H319 AromaticContact NE2-NE2 3.66Å; H314-H319 PolarHBondContact O-N 2.89Å; H314-H319 VanDerWaalsContact O-N 3.16Å; E315-H319 WeakPolarHBondContact O-CB 3.35Å; E315-H319 PolarHBondContact O-N 3.25Å; E315-H319 IonicContact OE2-CD2 3.89Å; H319-G323 PolarHBondContact O-N 3.29Å; H319-E349 IonicContact CE1-OE1 3.47Å; H319-E349 IonicContact CG-OE1 3.68Å; H319-E349 IonicContact ND1-OE1 3.74Å; H319-E349 PolarHBondContact ND1-OE1 2.8Å; H319-K451 WeakPolarHBondContact O-CE 3.45Å; H319-K451 PolarHBondContact O-NZ 3.46Å
320	Y	97.8	Very high	97.4	Very high	21 Å²	21	21 Å²	21	8%	0.082	12%	0.119	C	C	.	.	I	π-helix	trans	-76.4	-55.6	178.2	-177.4	-118	0	0	0	112.6	E272 I273 M287 P294 E315 I316 T318 R322 G323 L324	E272-Y320 HydrophobicContact CB-CE1 4.5Å; E272-Y320 WeakPolarHBondContact CB-OH 3.46Å; E272-Y320 WeakPolarHBondContact OE2-CE1 3.05Å; E272-Y320 PolarHBondContact OE2-OH 3.06Å; I273-Y320 HydrophobicContact CD1-CD1 3.47Å; I273-Y320 VanDerWaalsContact CD1-CD1 3.47Å; I273-Y320 HydrophobicContact CD1-CD2 4.48Å; I273-Y320 HydrophobicContact CD1-CE1 3.68Å; I273-Y320 HydrophobicContact CD1-CG 3.91Å; I273-Y320 HydrophobicContact CG1-CD1 4.03Å; I273-Y320 HydrophobicContact CG1-CE1 3.76Å; I273-Y320 HydrophobicContact CG1-CE2 4.32Å; I273-Y320 HydrophobicContact CG1-CG 4.41Å; M287-Y320 HydrophobicContact SD-CD2 4.42Å; P294-Y320 HydrophobicContact CB-CD2 4Å; P294-Y320 HydrophobicContact CB-CE2 3.57Å; P294-Y320 HydrophobicContact CG-CD2 4.33Å; P294-Y320 HydrophobicContact CG-CE2 3.47Å; P294-Y320 VanDerWaalsContact CG-CE2 3.47Å; E315-Y320 PolarHBondContact O-N 3.36Å; I316-Y320 HydrophobicContact CG2-CD1 4.26Å; I316-Y320 WeakPolarHBondContact O-CB 3.4Å; T318-Y320 PolarHBondContact O-N 2.93Å; Y320-R322 PolarHBondContact O-N 3.22Å; Y320-G323 CarbonylContact O-C 3.59Å; Y320-G323 VanDerWaalsContact O-CA 3.23Å; Y320-G323 WeakPolarHBondContact O-CA 3.49Å; Y320-G323 PolarHBondContact O-N 2.96Å; Y320-L324 HydrophobicContact CD1-CD1 4.27Å; Y320-L324 HydrophobicContact CE1-CD1 3.61Å; Y320-L324 HydrophobicContact CE1-CG 4.13Å; Y320-L324 HydrophobicContact CE2-CD1 4.4Å; Y320-L324 HydrophobicContact CE2-CD2 4Å; Y320-L324 HydrophobicContact CE2-CG 4.06Å; Y320-L324 PolarHBondContact O-N 2.79Å
321	F	97.8	Very high	97.3	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-38.3	-178.3	-76.6	3.3	0	0	0	113.2	E267 C269 I316 G323 L324 N325 R470 P472	E267-F321 HydrophobicContact CB-CE2 4.05Å; E267-F321 HydrophobicContact CB-CZ 3.83Å; C269-F321 HydrophobicContact CB-CE1 4.17Å; C269-F321 HydrophobicContact CB-CZ 4.4Å; I316-F321 HydrophobicContact CG2-CE1 4.35Å; I316-F321 PolarHBondContact O-N 3.27Å; F321-G323 PolarHBondContact O-N 3.22Å; F321-L324 HydrophobicContact CD1-CD1 4.14Å; F321-L324 PolarHBondContact O-N 2.75Å; F321-N325 WeakPolarHBondContact O-CB 3.31Å; F321-N325 PolarHBondContact O-N 3.26Å; F321-N325 PolarHBondContact O-ND2 3.3Å; F321-N325 PolarHBondContact O-OD1 2.97Å; F321-R470 HydrophobicContact CD2-CB 4.15Å; F321-R470 HydrophobicContact CE2-CB 4.47Å; F321-R470 HydrophobicContact CG-CB 4.26Å; F321-P472 HydrophobicContact CD2-CB 4.45Å; F321-P472 HydrophobicContact CD2-CG 3.99Å
322	R	97.8	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-27.3	170.5	-64.2	168.5	64.1	71.6	-2.1	112.1	T318 Y320 N326 E349 L446 M447 G450 K451 V452	T318-R322 VanDerWaalsContact CG2-CD 3.47Å; T318-R322 WeakPolarHBondContact O-CB 3.24Å; T318-R322 WeakPolarHBondContact O-CD 3.29Å; T318-R322 WeakPolarHBondContact O-CG 3.39Å; T318-R322 PolarHBondContact O-N 3.45Å; Y320-R322 PolarHBondContact O-N 3.22Å; R322-N326 WeakPolarHBondContact O-CB 3.44Å; R322-N326 PolarHBondContact O-N 3.22Å; R322-E349 IonicContact CZ-OE2 3.69Å; R322-E349 IonicContact NE-OE2 3.67Å; R322-E349 PolarHBondContact NE-OE2 3.06Å; R322-E349 IonicContact NH2-OE2 2.79Å; R322-E349 PolarHBondContact NH2-OE2 2.88Å; R322-L446 PolarHBondContact NH1-O 3.4Å; R322-M447 HydrophobicContact CG-CE 3.61Å; R322-M447 HydrophobicContact CG-SD 3.52Å; R322-M447 VanDerWaalsContact CG-SD 3.52Å; R322-G450 PolarHBondContact NH1-O 3.12Å; R322-G450 PolarHBondContact NH2-O 3.33Å; R322-G450 VanDerWaalsContact O-CA 3.26Å; R322-G450 WeakPolarHBondContact O-CA 3.49Å; R322-K451 HydrophobicContact CB-CG 4.09Å; R322-V452 PolarHBondContact NH2-O 3.42Å
323	G	96.6	Very high	97.1	Very high	18 Å²	18	24.3 Å²	24.3	19%	0.186	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-52.5	171.6	0	0	0	0	0	112.2	H319 Y320 F321 N326 C327 K451	H319-G323 PolarHBondContact O-N 3.29Å; Y320-G323 CarbonylContact O-C 3.59Å; Y320-G323 VanDerWaalsContact O-CA 3.23Å; Y320-G323 WeakPolarHBondContact O-CA 3.49Å; Y320-G323 PolarHBondContact O-N 2.96Å; F321-G323 PolarHBondContact O-N 3.22Å; G323-N326 WeakPolarHBondContact O-CB 3.49Å; G323-N326 PolarHBondContact O-N 2.87Å; G323-C327 PolarHBondContact O-N 2.69Å; G323-C327 VanDerWaalsContact O-N 3.12Å; G323-C327 PolarHBondContact O-SG 2.83Å; G323-C327 VanDerWaalsContact O-SG 3.4Å; G323-K451 VanDerWaalsContact CA-CE 3.46Å
324	L	95.9	Very high	96.9	Very high	50 Å²	50	27.8 Å²	27.8	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-55.7	-52.8	176	-69.2	-177.1	0	0	0	111.6	Y320 F321 N326 C327	Y320-L324 HydrophobicContact CD1-CD1 4.27Å; Y320-L324 HydrophobicContact CE1-CD1 3.61Å; Y320-L324 HydrophobicContact CE1-CG 4.13Å; Y320-L324 HydrophobicContact CE2-CD1 4.4Å; Y320-L324 HydrophobicContact CE2-CD2 4Å; Y320-L324 HydrophobicContact CE2-CG 4.06Å; Y320-L324 PolarHBondContact O-N 2.79Å; F321-L324 HydrophobicContact CD1-CD1 4.14Å; F321-L324 PolarHBondContact O-N 2.75Å; L324-N326 VanDerWaalsContact C-N 3.34Å; L324-N326 PolarHBondContact O-N 3.16Å; L324-C327 WeakPolarHBondContact O-CB 3.29Å; L324-C327 PolarHBondContact O-N 3.34Å; L324-C327 VanDerWaalsContact O-N 3.14Å
325	N	97.6	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-43.3	-179.8	-62.8	-9.5	0	0	0	110.8	F321 C327 Q328 Q329 M447 A448 R470	F321-N325 WeakPolarHBondContact O-CB 3.31Å; F321-N325 PolarHBondContact O-N 3.26Å; F321-N325 PolarHBondContact O-ND2 3.3Å; F321-N325 PolarHBondContact O-OD1 2.97Å; N325-C327 VanDerWaalsContact C-N 3.26Å; N325-C327 PolarHBondContact O-N 3.45Å; N325-Q328 WeakPolarHBondContact O-CB 3.37Å; N325-Q328 PolarHBondContact O-N 3.03Å; N325-Q328 VanDerWaalsContact O-N 3.08Å; N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 3.44Å; N325-M447 PolarHBondContact ND2-O 3.09Å; N325-A448 WeakPolarHBondContact CB-O 3.45Å; N325-R470 PolarHBondContact ND2-O 3.48Å; N325-R470 PolarHBondContact OD1-N 3.49Å
326	N	97.2	Very high	96.8	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-35.7	176.3	179.5	93.4	0	0	0	113.2	R322 G323 L324 Q328 Q329 G332 K451	R322-N326 WeakPolarHBondContact O-CB 3.44Å; R322-N326 PolarHBondContact O-N 3.22Å; G323-N326 WeakPolarHBondContact O-CB 3.49Å; G323-N326 PolarHBondContact O-N 2.87Å; L324-N326 VanDerWaalsContact C-N 3.34Å; L324-N326 PolarHBondContact O-N 3.16Å; N326-Q328 PolarHBondContact O-N 2.92Å; N326-Q329 PolarHBondContact O-N 3.07Å; N326-G332 WeakPolarHBondContact ND2-CA 3.31Å; N326-G332 PolarHBondContact ND2-O 3.33Å; N326-G332 WeakPolarHBondContact O-CA 3.4Å; N326-K451 HydrophobicContact CB-CB 4.32Å; N326-K451 HydrophobicContact CB-CG 4.11Å; N326-K451 PolarHBondContact OD1-N 3.47Å
327	C	95.1	Very high	96.8	Very high	107 Å²	107	35.2 Å²	35.2	72%	0.723	21%	0.211	S	C	*	.	H	α-helix	trans	-66.8	-20.3	179.3	-72.8	0	0	0	0	113.8	G323 L324 N325	G323-C327 PolarHBondContact O-N 2.69Å; G323-C327 VanDerWaalsContact O-N 3.12Å; G323-C327 PolarHBondContact O-SG 2.83Å; G323-C327 VanDerWaalsContact O-SG 3.4Å; L324-C327 WeakPolarHBondContact O-CB 3.29Å; L324-C327 PolarHBondContact O-N 3.34Å; L324-C327 VanDerWaalsContact O-N 3.14Å; N325-C327 VanDerWaalsContact C-N 3.26Å; N325-C327 PolarHBondContact O-N 3.45Å
328	Q	94.5	Very high	96.7	Very high	59 Å²	59	44.5 Å²	44.5	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-84.5	-28.9	175.1	-60.8	164.6	-10.5	0	0	111.9	N325 N326 Q465 E467 K468	N325-Q328 WeakPolarHBondContact O-CB 3.37Å; N325-Q328 PolarHBondContact O-N 3.03Å; N325-Q328 VanDerWaalsContact O-N 3.08Å; N326-Q328 PolarHBondContact O-N 2.92Å; Q328-Q465 PolarHBondContact O-NE2 2.59Å; Q328-Q465 PolarHBondContact O-OE1 3.48Å; Q328-Q465 VanDerWaalsContact O-OE1 3.13Å; Q328-E467 PolarHBondContact OE1-O 3.15Å; Q328-K468 PolarHBondContact NE2-O 2.96Å
329	Q	97.6	Very high	96.7	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.037	28%	0.282	C	S	.	.	S	Bend	trans	-75.1	152.9	-170.2	-60.6	-56.6	-16.8	0	0	114.5	N325 N326 W331 G332 A448 Q465	N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 3.44Å; N326-Q329 PolarHBondContact O-N 3.07Å; Q329-W331 HydrophobicContact CB-CD2 3.85Å; Q329-W331 HydrophobicContact CB-CE3 4.46Å; Q329-W331 HydrophobicContact CB-CG 4.19Å; Q329-W331 HydrophobicContact CB-CH2 4.28Å; Q329-W331 HydrophobicContact CB-CZ2 3.64Å; Q329-W331 HydrophobicContact CG-CH2 4.36Å; Q329-W331 HydrophobicContact CG-CZ2 3.54Å; Q329-W331 PolarHBondContact O-N 3.11Å; Q329-W331 VanDerWaalsContact O-N 3.07Å; Q329-G332 PolarHBondContact O-N 3.02Å; Q329-A448 PolarHBondContact NE2-O 3.13Å; Q329-Q465 PolarHBondContact NE2-O 2.81Å
330	P	96.9	Very high	96.6	Very high	49 Å²	49	53.2 Å²	53.2	32%	0.318	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.8	174.9	-26.5	35.1	0	0	0	115	G336	P330-G336 WeakPolarHBondContact O-CA 3.3Å
331	W	97.3	Very high	96.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.4	175.6	51.2	83.7	0	0	0	114.5	Q329 S333 R337 L342 L449 V452 L460 L463 A464	Q329-W331 HydrophobicContact CB-CD2 3.85Å; Q329-W331 HydrophobicContact CB-CE3 4.46Å; Q329-W331 HydrophobicContact CB-CG 4.19Å; Q329-W331 HydrophobicContact CB-CH2 4.28Å; Q329-W331 HydrophobicContact CB-CZ2 3.64Å; Q329-W331 HydrophobicContact CG-CH2 4.36Å; Q329-W331 HydrophobicContact CG-CZ2 3.54Å; Q329-W331 PolarHBondContact O-N 3.11Å; Q329-W331 VanDerWaalsContact O-N 3.07Å; W331-S333 PolarHBondContact O-N 2.85Å; W331-R337 WeakPolarHBondContact O-CG 3.3Å; W331-L342 HydrophobicContact CB-CD1 3.61Å; W331-L342 HydrophobicContact CB-CG 4.37Å; W331-L342 HydrophobicContact CG-CD1 3.76Å; W331-L449 HydrophobicContact CH2-CD2 3.67Å; W331-L449 HydrophobicContact CZ2-CB 4.06Å; W331-L449 HydrophobicContact CZ2-CD2 3.46Å; W331-L449 VanDerWaalsContact CZ2-CD2 3.46Å; W331-L449 HydrophobicContact CZ2-CG 4.33Å; W331-L449 PolarHBondContact NE1-O 3.07Å; W331-V452 HydrophobicContact CG-CG1 4.48Å; W331-V452 VanDerWaalsContact NE1-CG1 3.26Å; W331-L460 HydrophobicContact CD2-CD1 4.09Å; W331-L460 HydrophobicContact CD2-CD2 4.37Å; W331-L460 HydrophobicContact CE3-CD1 4.36Å; W331-L460 HydrophobicContact CE3-CD2 3.85Å; W331-L460 HydrophobicContact CH2-CB 3.76Å; W331-L460 HydrophobicContact CH2-CD1 4.4Å; W331-L460 HydrophobicContact CH2-CD2 4.42Å; W331-L460 HydrophobicContact CH2-CG 4.42Å; W331-L460 HydrophobicContact CZ2-CB 4.12Å; W331-L460 HydrophobicContact CZ2-CD1 4.12Å; W331-L460 HydrophobicContact CZ3-CB 4.07Å; W331-L460 HydrophobicContact CZ3-CD2 3.89Å; W331-L460 HydrophobicContact CZ3-CG 4.37Å; W331-L463 HydrophobicContact CZ3-CB 4.05Å; W331-A464 HydrophobicContact CH2-CB 4.44Å
332	G	95.9	Very high	96.6	Very high	26 Å²	26	59.5 Å²	59.5	27%	0.268	32%	0.319	S	S	.	.	S	Bend	trans	-60.3	-29.1	-177.3	0	0	0	0	0	114.4	N326 Q329	N326-G332 WeakPolarHBondContact ND2-CA 3.31Å; N326-G332 PolarHBondContact ND2-O 3.33Å; N326-G332 WeakPolarHBondContact O-CA 3.4Å; Q329-G332 PolarHBondContact O-N 3.02Å
333	S	95.9	Very high	96.5	Very high	68 Å²	68	63.6 Å²	63.6	48%	0.476	34%	0.337	S	S	.	.	S	Bend	trans	-95.6	155.1	175.8	73.9	0	0	0	0	112.8	W331 M335 G336 R337	W331-S333 PolarHBondContact O-N 2.85Å; S333-M335 PolarHBondContact O-N 2.9Å; S333-M335 VanDerWaalsContact O-N 3.09Å; S333-G336 WeakPolarHBondContact O-CA 3.34Å; S333-G336 PolarHBondContact O-N 2.93Å; S333-G336 PolarHBondContact OG-N 2.89Å; S333-G336 VanDerWaalsContact OG-N 3.17Å; S333-R337 WeakPolarHBondContact O-CG 3.26Å; S333-R337 PolarHBondContact O-N 3.29Å
334	S	94.3	Very high	96.4	Very high	92 Å²	92	67.6 Å²	67.6	64%	0.643	36%	0.36	S	S	*	.	H	α-helix	trans	-55.9	-26.9	174.5	-55.7	0	0	0	0	114	R338	S334-R338 WeakPolarHBondContact O-CG 3.34Å; S334-R338 PolarHBondContact O-N 3.24Å
335	M	96.6	Very high	96.4	Very high	136 Å²	136	66.7 Å²	66.7	67%	0.67	36%	0.355	S	S	*	.	H	α-helix	trans	-73.8	-45.9	173.5	-171.3	63.8	82	0	0	110.9	S333 R337 R338 K339	S333-M335 PolarHBondContact O-N 2.9Å; S333-M335 VanDerWaalsContact O-N 3.09Å; M335-R337 PolarHBondContact O-N 3.14Å; M335-R338 PolarHBondContact O-N 3.41Å; M335-K339 PolarHBondContact O-N 3.4Å
336	G	96.7	Very high	96.3	Very high	6 Å²	6	71 Å²	71	6%	0.062	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-46.6	173.8	0	0	0	0	0	112.3	P330 S333 R338 K339 H340	P330-G336 WeakPolarHBondContact O-CA 3.3Å; S333-G336 WeakPolarHBondContact O-CA 3.34Å; S333-G336 PolarHBondContact O-N 2.93Å; S333-G336 PolarHBondContact OG-N 2.89Å; S333-G336 VanDerWaalsContact OG-N 3.17Å; G336-R338 PolarHBondContact O-N 3.3Å; G336-K339 PolarHBondContact O-N 2.86Å; G336-K339 VanDerWaalsContact O-N 3.14Å; G336-H340 PolarHBondContact O-CD2 3.48Å; G336-H340 VanDerWaalsContact O-CD2 3.25Å; G336-H340 PolarHBondContact O-N 3.07Å
337	R	97	Very high	96.3	Very high	52 Å²	52	71.4 Å²	71.4	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-53.9	-38.6	175.4	-64.7	-160.5	72.2	84.5	2.5	113.5	W331 S333 M335 N341 L342 K343 K451	W331-R337 WeakPolarHBondContact O-CG 3.3Å; S333-R337 WeakPolarHBondContact O-CG 3.26Å; S333-R337 PolarHBondContact O-N 3.29Å; M335-R337 PolarHBondContact O-N 3.14Å; R337-N341 PolarHBondContact O-N 3.31Å; R337-L342 HydrophobicContact CG-CD1 4.31Å; R337-L342 PolarHBondContact O-N 3.08Å; R337-K343 PolarHBondContact NH2-O 3.45Å; R337-K451 PolarHBondContact NH1-O 2.96Å; R337-K451 PolarHBondContact NH2-O 3.12Å
338	R	96.9	Very high	96.4	Very high	195 Å²	195	66.3 Å²	66.3	74%	0.736	35%	0.347	S	S	*	.	H	α-helix	trans	-73.5	-47.1	176	-69.8	172.4	-177.5	-178.1	0.3	111.5	S334 M335 G336 H340 N341	S334-R338 WeakPolarHBondContact O-CG 3.34Å; S334-R338 PolarHBondContact O-N 3.24Å; M335-R338 PolarHBondContact O-N 3.41Å; G336-R338 PolarHBondContact O-N 3.3Å; R338-H340 VanDerWaalsContact C-N 3.25Å; R338-H340 PolarHBondContact O-N 3.24Å; R338-N341 PolarHBondContact O-N 3.31Å
339	K	97.3	Very high	96.6	Very high	175 Å²	175	63.8 Å²	63.8	76%	0.761	34%	0.336	S	S	*	.	H	α-helix	trans	-55	-40.5	177.4	-176.1	-174.8	177.6	-173.7	0	112.2	M335 G336	M335-K339 PolarHBondContact O-N 3.4Å; G336-K339 PolarHBondContact O-N 2.86Å; G336-K339 VanDerWaalsContact O-N 3.14Å
340	H	96.6	Very high	96.6	Very high	32 Å²	32	64.5 Å²	64.5	15%	0.148	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.5	178.2	-66.7	-81.8	0	0	0	113.6	G336 R338 L342 R459 L460	G336-H340 PolarHBondContact O-CD2 3.48Å; G336-H340 VanDerWaalsContact O-CD2 3.25Å; G336-H340 PolarHBondContact O-N 3.07Å; R338-H340 VanDerWaalsContact C-N 3.25Å; R338-H340 PolarHBondContact O-N 3.24Å; H340-L342 HydrophobicContact CB-CD2 3.8Å; H340-L342 HydrophobicContact CB-CG 4.21Å; H340-L342 PolarHBondContact O-N 2.72Å; H340-R459 PolarHBondContact O-NH1 3.22Å; H340-R459 PolarHBondContact O-NH2 3.23Å; H340-L460 HydrophobicContact CB-CD2 4.41Å
341	N	96.8	Very high	96.7	Very high	132 Å²	132	62.2 Å²	62.2	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	57.1	-177.5	-167.9	36.7	0	0	0	112.7	R337 R338 R459	R337-N341 PolarHBondContact O-N 3.31Å; R338-N341 PolarHBondContact O-N 3.31Å; N341-R459 PolarHBondContact O-NH2 2.98Å; N341-R459 VanDerWaalsContact O-NH2 3.12Å
342	L	97.2	Very high	96.8	Very high	25 Å²	25	62.2 Å²	62.2	13%	0.131	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.2	142.5	-175	-64.3	-162.1	0	0	0	113.1	W331 R337 H340 V452 L460	W331-L342 HydrophobicContact CB-CD1 3.61Å; W331-L342 HydrophobicContact CB-CG 4.37Å; W331-L342 HydrophobicContact CG-CD1 3.76Å; R337-L342 HydrophobicContact CG-CD1 4.31Å; R337-L342 PolarHBondContact O-N 3.08Å; H340-L342 HydrophobicContact CB-CD2 3.8Å; H340-L342 HydrophobicContact CB-CG 4.21Å; H340-L342 PolarHBondContact O-N 2.72Å; L342-V452 HydrophobicContact CD1-CG1 4.07Å; L342-L460 HydrophobicContact CD1-CD1 4.49Å; L342-L460 HydrophobicContact CD2-CD1 3.73Å; L342-L460 HydrophobicContact CD2-CD2 3.91Å; L342-L460 HydrophobicContact CD2-CG 4.29Å
343	K	96.9	Very high	96.9	Very high	85 Å²	85	61 Å²	61	37%	0.37	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-69.2	164.9	173.9	-67	-176.7	-179.2	176.5	0	112	R337 L345 E455 D456	R337-K343 PolarHBondContact NH2-O 3.45Å; K343-L345 PolarHBondContact O-N 2.89Å; K343-E455 HydrophobicContact CD-CB 3.91Å; K343-E455 VanDerWaalsContact CD-CD 3.49Å; K343-E455 HydrophobicContact CD-CG 4.41Å; K343-E455 WeakPolarHBondContact CD-OE1 3.25Å; K343-E455 WeakPolarHBondContact CD-OE2 3.47Å; K343-E455 VanDerWaalsContact NZ-CD 3.33Å; K343-E455 IonicContact NZ-OE1 3.17Å; K343-E455 PolarHBondContact NZ-OE1 2.63Å; K343-E455 IonicContact NZ-OE2 3.19Å; K343-D456 WeakPolarHBondContact CB-OD2 3.05Å; K343-D456 PolarHBondContact N-OD2 3.04Å
344	P	94.9	Very high	97	Very high	103 Å²	103	58.2 Å²	58.2	67%	0.669	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-60.7	117.9	175.3	-22.9	34.9	0	0	0	111.7	N346	P344-N346 VanDerWaalsContact C-N 3.34Å; P344-N346 PolarHBondContact O-N 3.24Å
345	L	94.9	Very high	97.2	Very high	31 Å²	31	53.8 Å²	53.8	16%	0.162	26%	0.261	C	S	.	.			trans	-74.1	-22.4	-176.8	70.6	95.6	0	0	0	113.9	K343 T348 E349 K451	K343-L345 PolarHBondContact O-N 2.89Å; L345-T348 PolarHBondContact O-N 2.81Å; L345-T348 VanDerWaalsContact O-N 3.12Å; L345-E349 HydrophobicContact CD1-CB 3.6Å; L345-E349 HydrophobicContact CD1-CG 3.89Å; L345-E349 WeakPolarHBondContact O-CB 3.18Å; L345-E349 PolarHBondContact O-N 3.33Å; L345-K451 WeakPolarHBondContact CB-O 3.29Å; L345-K451 HydrophobicContact CD1-CB 4.29Å; L345-K451 HydrophobicContact CD2-CB 4.17Å; L345-K451 WeakPolarHBondContact CD2-O 3.31Å
346	N	95.2	Very high	97.3	Very high	91 Å²	91	47.3 Å²	47.3	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-43	-163.5	-61	8	0	0	0	114.6	P344 T348 E349 E350 V426	P344-N346 VanDerWaalsContact C-N 3.34Å; P344-N346 PolarHBondContact O-N 3.24Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.82Å; N346-E349 PolarHBondContact O-N 2.84Å; N346-E350 WeakPolarHBondContact O-CB 3.44Å; N346-E350 WeakPolarHBondContact O-CG 3.21Å; N346-E350 PolarHBondContact O-N 2.7Å; N346-V426 HydrophobicContact CB-CG2 4.37Å
347	P	97.1	Very high	97.4	Very high	27 Å²	27	48.2 Å²	48.2	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-41.4	176.2	-22.7	35.2	0	0	0	112.2	G351 V426 G430	P347-G351 WeakPolarHBondContact O-CA 3.19Å; P347-G351 PolarHBondContact O-N 2.85Å; P347-V426 HydrophobicContact CB-CG2 4.46Å; P347-V426 HydrophobicContact CG-CG2 4.4Å; P347-G430 WeakPolarHBondContact O-CA 3.37Å
348	T	98.4	Very high	97.4	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-46.7	175.9	-55	0	0	0	0	111.5	L345 N346 L352 L446 S453 F454	L345-T348 PolarHBondContact O-N 2.81Å; L345-T348 VanDerWaalsContact O-N 3.12Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.82Å; T348-L352 WeakPolarHBondContact O-CB 3.48Å; T348-L352 PolarHBondContact O-N 2.73Å; T348-L446 HydrophobicContact CG2-CD1 3.96Å; T348-L446 HydrophobicContact CG2-CD2 4.01Å; T348-S453 WeakPolarHBondContact OG1-CA 3.21Å; T348-F454 HydrophobicContact CG2-CB 4.07Å; T348-F454 HydrophobicContact CG2-CD1 4.24Å; T348-F454 VanDerWaalsContact OG1-CD1 3.31Å; T348-F454 WeakPolarHBondContact OG1-CD1 3.32Å; T348-F454 PolarHBondContact OG1-N 3.34Å; T348-F454 VanDerWaalsContact OG1-N 3.12Å
349	E	98.3	Very high	97.5	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-53	-175.4	-177.8	71.8	-167.7	0	0	112.7	H319 R322 L345 N346 A353 K451	H319-E349 IonicContact CE1-OE1 3.47Å; H319-E349 IonicContact CG-OE1 3.68Å; H319-E349 IonicContact ND1-OE1 3.74Å; H319-E349 PolarHBondContact ND1-OE1 2.8Å; R322-E349 IonicContact CZ-OE2 3.69Å; R322-E349 IonicContact NE-OE2 3.67Å; R322-E349 PolarHBondContact NE-OE2 3.06Å; R322-E349 IonicContact NH2-OE2 2.79Å; R322-E349 PolarHBondContact NH2-OE2 2.88Å; L345-E349 HydrophobicContact CD1-CB 3.6Å; L345-E349 HydrophobicContact CD1-CG 3.89Å; L345-E349 WeakPolarHBondContact O-CB 3.18Å; L345-E349 PolarHBondContact O-N 3.33Å; N346-E349 PolarHBondContact O-N 2.84Å; E349-A353 WeakPolarHBondContact O-CB 3.05Å; E349-A353 PolarHBondContact O-N 3.39Å; E349-K451 IonicContact OE1-NZ 2.71Å; E349-K451 PolarHBondContact OE1-NZ 3.04Å
350	E	98.1	Very high	97.4	Very high	23 Å²	23	31.5 Å²	31.5	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-79.7	-28.4	-175.8	-52.3	-106.1	177	0	0	110.6	N346 S354 K423 V426 Y427	N346-E350 WeakPolarHBondContact O-CB 3.44Å; N346-E350 WeakPolarHBondContact O-CG 3.21Å; N346-E350 PolarHBondContact O-N 2.7Å; E350-S354 WeakPolarHBondContact O-CB 3.49Å; E350-S354 PolarHBondContact O-N 3.12Å; E350-S354 PolarHBondContact O-OG 2.87Å; E350-K423 WeakPolarHBondContact OE1-CE 3.41Å; E350-K423 IonicContact OE1-NZ 2.74Å; E350-K423 PolarHBondContact OE1-NZ 2.7Å; E350-K423 IonicContact OE2-NZ 3.92Å; E350-V426 HydrophobicContact CB-CG1 3.73Å; E350-V426 HydrophobicContact CB-CG2 4.42Å; E350-V426 HydrophobicContact CG-CG1 3.89Å; E350-Y427 HydrophobicContact CB-CD1 3.95Å; E350-Y427 HydrophobicContact CB-CE1 3.84Å; E350-Y427 HydrophobicContact CG-CE1 4.47Å; E350-Y427 WeakPolarHBondContact OE2-CE1 3.45Å; E350-Y427 PolarHBondContact OE2-OH 3.28Å
351	G	98.5	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-48.8	172.2	0	0	0	0	0	113.2	P347 A353 S354 I355	P347-G351 WeakPolarHBondContact O-CA 3.19Å; P347-G351 PolarHBondContact O-N 2.85Å; G351-A353 VanDerWaalsContact C-N 3.34Å; G351-A353 PolarHBondContact O-N 3.42Å; G351-S354 WeakPolarHBondContact O-CB 3.27Å; G351-S354 PolarHBondContact O-N 3.27Å; G351-S354 VanDerWaalsContact O-N 3.1Å; G351-I355 PolarHBondContact O-N 3.16Å
352	L	98.4	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-43.7	178.8	-175.2	62.1	0	0	0	110.6	T318 T348 S354 I355 H356 I434 F443 L446 M447	T318-L352 HydrophobicContact CG2-CB 4.29Å; T318-L352 HydrophobicContact CG2-CD2 4.19Å; T318-L352 HydrophobicContact CG2-CG 4.09Å; T348-L352 WeakPolarHBondContact O-CB 3.48Å; T348-L352 PolarHBondContact O-N 2.73Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.96Å; L352-I355 PolarHBondContact O-N 3.36Å; L352-H356 WeakPolarHBondContact CD1-NE2 3.26Å; L352-H356 WeakPolarHBondContact O-CB 3.45Å; L352-H356 PolarHBondContact O-CD2 2.98Å; L352-H356 PolarHBondContact O-N 2.95Å; L352-I434 HydrophobicContact CB-CD1 3.74Å; L352-F443 HydrophobicContact CD1-CD1 4.01Å; L352-F443 HydrophobicContact CD1-CE1 3.95Å; L352-L446 HydrophobicContact CD2-CD2 4.26Å; L352-M447 HydrophobicContact CD2-SD 3.81Å
353	A	98.6	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-37.3	174.9	0	0	0	0	0	111.5	H314 T318 E349 G351 H356 S357	H314-A353 WeakPolarHBondContact ND1-CB 3.29Å; H314-A353 PolarHBondContact ND1-O 2.94Å; T318-A353 HydrophobicContact CG2-CB 3.8Å; E349-A353 WeakPolarHBondContact O-CB 3.05Å; E349-A353 PolarHBondContact O-N 3.39Å; G351-A353 VanDerWaalsContact C-N 3.34Å; G351-A353 PolarHBondContact O-N 3.42Å; A353-H356 PolarHBondContact O-N 3.47Å; A353-S357 PolarHBondContact O-N 2.95Å
354	S	98.6	Very high	97.3	Very high	10 Å²	10	30.4 Å²	30.4	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-41.7	177.4	-61.6	0	0	0	0	112.6	E350 G351 L352 S357 Y427	E350-S354 WeakPolarHBondContact O-CB 3.49Å; E350-S354 PolarHBondContact O-N 3.12Å; E350-S354 PolarHBondContact O-OG 2.87Å; G351-S354 WeakPolarHBondContact O-CB 3.27Å; G351-S354 PolarHBondContact O-N 3.27Å; G351-S354 VanDerWaalsContact O-N 3.1Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.96Å; S354-S357 WeakPolarHBondContact O-CB 3.23Å; S354-S357 PolarHBondContact O-N 3.33Å; S354-S357 PolarHBondContact O-OG 2.76Å; S354-Y427 VanDerWaalsContact OG-CD1 3.25Å; S354-Y427 WeakPolarHBondContact OG-CD1 3.48Å
355	I	98.7	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-52.7	170.2	-73.6	175.4	0	0	0	110	G351 L352 S357 V358 L359 I431 I434 L435 L485 I488	G351-I355 PolarHBondContact O-N 3.16Å; L352-I355 PolarHBondContact O-N 3.36Å; I355-S357 PolarHBondContact O-N 3.43Å; I355-S357 VanDerWaalsContact O-N 3.09Å; I355-V358 VanDerWaalsContact O-CG2 3.26Å; I355-V358 WeakPolarHBondContact O-CG2 3.42Å; I355-V358 PolarHBondContact O-N 2.96Å; I355-L359 HydrophobicContact CG2-CD1 4.07Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 PolarHBondContact O-N 3.31Å; I355-I431 HydrophobicContact CD1-CG2 4.46Å; I355-I431 HydrophobicContact CG1-CB 4.38Å; I355-I431 HydrophobicContact CG1-CG1 4.03Å; I355-I431 HydrophobicContact CG1-CG2 4.08Å; I355-I434 HydrophobicContact CD1-CB 3.74Å; I355-I434 HydrophobicContact CD1-CD1 4.38Å; I355-I434 HydrophobicContact CD1-CG2 3.5Å; I355-I434 VanDerWaalsContact CD1-CG2 3.5Å; I355-L435 HydrophobicContact CD1-CD2 4.23Å; I355-L435 HydrophobicContact CD1-CG 4.23Å; I355-L485 HydrophobicContact CG2-CD2 3.47Å; I355-L485 VanDerWaalsContact CG2-CD2 3.47Å; I355-I488 HydrophobicContact CG2-CD1 3.93Å
356	H	98.6	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.7	-26.7	178.5	-67.2	172.6	0	0	0	113.4	R313 T318 L352 A353 V358 F474 M475 Y481	R313-H356 HydrophobicContact CB-CB 4.04Å; T318-H356 PolarHBondContact OG1-ND1 3.47Å; L352-H356 WeakPolarHBondContact CD1-NE2 3.26Å; L352-H356 WeakPolarHBondContact O-CB 3.45Å; L352-H356 PolarHBondContact O-CD2 2.98Å; L352-H356 PolarHBondContact O-N 2.95Å; A353-H356 PolarHBondContact O-N 3.47Å; H356-V358 VanDerWaalsContact C-N 3.32Å; H356-V358 PolarHBondContact O-N 2.81Å; H356-F474 HydrophobicContact CB-CE2 4.34Å; H356-F474 HydrophobicContact CB-CZ 4.29Å; H356-F474 AromaticContact CD2-CE2 3.64Å; H356-F474 AromaticContact CE1-CE2 3.75Å; H356-F474 AromaticContact CE1-CZ 3.81Å; H356-F474 AromaticContact CG-CE2 3.7Å; H356-F474 AromaticContact CG-CZ 3.8Å; H356-F474 AromaticContact ND1-CE2 3.78Å; H356-F474 AromaticContact ND1-CZ 3.56Å; H356-F474 AromaticContact NE2-CE2 3.67Å; H356-M475 VanDerWaalsContact CE1-CE 3.47Å; H356-M475 WeakPolarHBondContact CE1-CE 3.42Å; H356-M475 WeakPolarHBondContact NE2-CE 3.45Å; H356-Y481 AromaticContact NE2-CE2 3.68Å; H356-Y481 AromaticContact NE2-CZ 3.9Å; H356-Y481 PolarHBondContact NE2-OH 2.88Å
357	S	98.1	Very high	97.8	Very high	24 Å²	24	20.2 Å²	20.2	17%	0.168	10%	0.097	C	C	.	.	H	α-helix	trans	-70.6	-23.5	176.1	87.2	0	0	0	0	114.5	G310 A353 S354 I355 R361	G310-S357 WeakPolarHBondContact O-CA 3.03Å; A353-S357 PolarHBondContact O-N 2.95Å; S354-S357 WeakPolarHBondContact O-CB 3.23Å; S354-S357 PolarHBondContact O-N 3.33Å; S354-S357 PolarHBondContact O-OG 2.76Å; I355-S357 PolarHBondContact O-N 3.43Å; I355-S357 VanDerWaalsContact O-N 3.09Å; S357-R361 VanDerWaalsContact O-CZ 3.24Å; S357-R361 PolarHBondContact O-NE 3.44Å; S357-R361 PolarHBondContact O-NH2 2.95Å
358	V	98.3	Very high	97.8	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-110.9	-21.9	179	-62.9	0	0	0	0	114	I355 H356 F360 R361 P364 L366 I488	I355-V358 VanDerWaalsContact O-CG2 3.26Å; I355-V358 WeakPolarHBondContact O-CG2 3.42Å; I355-V358 PolarHBondContact O-N 2.96Å; H356-V358 VanDerWaalsContact C-N 3.32Å; H356-V358 PolarHBondContact O-N 2.81Å; V358-F360 PolarHBondContact O-N 2.99Å; V358-R361 WeakPolarHBondContact O-CB 3.29Å; V358-R361 WeakPolarHBondContact O-CG 3.46Å; V358-R361 PolarHBondContact O-N 3.43Å; V358-P364 HydrophobicContact CB-CB 4.12Å; V358-P364 HydrophobicContact CG2-CB 4.37Å; V358-L366 HydrophobicContact CG2-CD2 3.83Å; V358-I488 HydrophobicContact CG2-CD1 3.9Å; V358-I488 HydrophobicContact CG2-CG1 4.05Å
359	L	97.3	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.7	-53.5	-167.7	-166.7	68.8	0	0	0	115.6	I355 F474 Y481 Q484 L485 I488	I355-L359 HydrophobicContact CG2-CD1 4.07Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 PolarHBondContact O-N 3.31Å; L359-F474 HydrophobicContact CD2-CD2 3.87Å; L359-F474 HydrophobicContact CD2-CE2 4.18Å; L359-Y481 HydrophobicContact CD1-CD2 4.46Å; L359-Y481 HydrophobicContact CD1-CE2 4.25Å; L359-Y481 HydrophobicContact CD2-CD2 3.67Å; L359-Y481 HydrophobicContact CD2-CE2 3.56Å; L359-Q484 HydrophobicContact CD1-CB 3.47Å; L359-Q484 VanDerWaalsContact CD1-CB 3.47Å; L359-Q484 HydrophobicContact CD1-CG 4.43Å; L359-Q484 HydrophobicContact CG-CB 3.82Å; L359-Q484 HydrophobicContact CG-CG 4.28Å; L359-Q484 WeakPolarHBondContact O-CB 3.18Å; L359-Q484 WeakPolarHBondContact O-CG 3.21Å; L359-L485 HydrophobicContact CD1-CD2 3.83Å; L359-I488 HydrophobicContact CD1-CD1 4.1Å
360	F	96.6	Very high	97.9	Very high	64 Å²	64	22 Å²	22	28%	0.281	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	23	-177.4	-66.6	-76	0	0	0	114.4	V358 F474 K480 Q484	V358-F360 PolarHBondContact O-N 2.99Å; F360-F474 HydrophobicContact CD2-CB 4.48Å; F360-F474 HydrophobicContact CE2-CB 3.85Å; F360-F474 HydrophobicContact CE2-CD2 4.26Å; F360-F474 HydrophobicContact CE2-CG 4.46Å; F360-K480 HydrophobicContact CE1-CD 4.45Å; F360-K480 HydrophobicContact CE1-CG 4.2Å; F360-Q484 HydrophobicContact CD1-CG 3.7Å; F360-Q484 HydrophobicContact CE1-CG 3.44Å; F360-Q484 VanDerWaalsContact CE1-CG 3.44Å; F360-Q484 HydrophobicContact CG-CG 4.46Å; F360-Q484 HydrophobicContact CZ-CG 4.01Å
361	R	96.1	Very high	97.9	Very high	33 Å²	33	20.9 Å²	20.9	13%	0.125	10%	0.096	C	C	.	.	S	Bend	trans	-74	152.5	172.3	-65.5	-177.9	-167.5	-171.4	5.5	110.6	W307 S357 V358 D363 K487	W307-R361 VanDerWaalsContact CD1-CZ 3.48Å; W307-R361 VanDerWaalsContact CE2-NH1 3.26Å; S357-R361 VanDerWaalsContact O-CZ 3.24Å; S357-R361 PolarHBondContact O-NE 3.44Å; S357-R361 PolarHBondContact O-NH2 2.95Å; V358-R361 WeakPolarHBondContact O-CB 3.29Å; V358-R361 WeakPolarHBondContact O-CG 3.46Å; V358-R361 PolarHBondContact O-N 3.43Å; R361-D363 VanDerWaalsContact C-N 3.31Å; R361-D363 WeakPolarHBondContact CB-O 3.47Å; R361-D363 PolarHBondContact O-N 3.21Å; R361-K487 PolarHBondContact O-NZ 3.28Å
362	K	94.3	Very high	97.9	Very high	201 Å²	201	21.2 Å²	21.2	87%	0.874	10%	0.098	S	C	*	.	S	Bend	trans	-54.2	-52.4	168.3	-71.2	-175.7	178	179.3	0	109.7	K487	K362-K487 WeakPolarHBondContact O-CE 3.33Å; K362-K487 PolarHBondContact O-NZ 3.16Å
363	D	96.5	Very high	97.9	Very high	17 Å²	17	21.2 Å²	21.2	9%	0.091	10%	0.098	C	C	.	.	S	Bend	trans	-110.1	110.7	168.3	-170.4	-39.6	0	0	0	110.3	R235 Y236 T246 R361 T365 V491	R235-D363 IonicContact CZ-OD2 3.76Å; R235-D363 IonicContact NE-OD2 2.85Å; R235-D363 IonicContact NH1-OD1 2.74Å; R235-D363 PolarHBondContact NH1-OD1 3.4Å; R235-D363 IonicContact NH1-OD2 3.91Å; R235-D363 PolarHBondContact NH1-OD2 2.91Å; Y236-D363 PolarHBondContact OH-OD2 2.88Å; Y236-D363 VanDerWaalsContact OH-OD2 3.05Å; T246-D363 HydrophobicContact CG2-CB 3.9Å; R361-D363 VanDerWaalsContact C-N 3.31Å; R361-D363 WeakPolarHBondContact CB-O 3.47Å; R361-D363 PolarHBondContact O-N 3.21Å; D363-T365 VanDerWaalsContact C-N 3.33Å; D363-T365 PolarHBondContact O-N 3.37Å; D363-T365 WeakPolarHBondContact OD1-CB 3.18Å; D363-T365 PolarHBondContact OD1-N 2.87Å; D363-T365 PolarHBondContact OD1-OG1 2.98Å; D363-V491 WeakPolarHBondContact OD1-CG1 3.47Å
364	P	98	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.102	C	C	.	.			trans	-89.8	32.2	176.5	37.4	-39.3	0	0	0	114.5	V358 L366 K487 I488 V491 N492	V358-P364 HydrophobicContact CB-CB 4.12Å; V358-P364 HydrophobicContact CG2-CB 4.37Å; P364-L366 PolarHBondContact O-N 3.07Å; P364-K487 HydrophobicContact CG-CD 4.14Å; P364-K487 HydrophobicContact CG-CG 4.08Å; P364-I488 HydrophobicContact CB-CG1 3.86Å; P364-I488 HydrophobicContact CG-CG1 4.29Å; P364-V491 HydrophobicContact CG-CB 4.09Å; P364-V491 HydrophobicContact CG-CG1 4.17Å; P364-V491 HydrophobicContact CG-CG2 4.03Å; P364-N492 PolarHBondContact O-ND2 3Å
365	T	98.4	Very high	97.9	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.025	10%	0.099	C	C	.	.			trans	-55.5	130.8	173.3	-85.9	0	0	0	0	112.5	A232 R235 F242 D363 W367 N492	A232-T365 HydrophobicContact CB-CG2 3.97Å; R235-T365 PolarHBondContact NH1-OG1 2.9Å; R235-T365 VanDerWaalsContact NH1-OG1 3.13Å; F242-T365 HydrophobicContact CE2-CG2 3.87Å; F242-T365 HydrophobicContact CZ-CG2 3.89Å; D363-T365 VanDerWaalsContact C-N 3.33Å; D363-T365 PolarHBondContact O-N 3.37Å; D363-T365 WeakPolarHBondContact OD1-CB 3.18Å; D363-T365 PolarHBondContact OD1-N 2.87Å; D363-T365 PolarHBondContact OD1-OG1 2.98Å; T365-W367 HydrophobicContact CG2-CB 3.97Å; T365-W367 PolarHBondContact O-N 2.94Å; T365-W367 VanDerWaalsContact O-N 3.1Å; T365-N492 WeakPolarHBondContact CA-OD1 3.46Å
366	L	98.6	Very high	97.9	Very high	4 Å²	4	22 Å²	22	2%	0.021	10%	0.1	C	C	.	.			trans	-81.3	20.4	-172.9	-65.1	170.6	0	0	0	114	I228 V358 P364 R368 A369 A370 I431 I488 N492 L494	I228-L366 HydrophobicContact CD1-CB 4.27Å; I228-L366 HydrophobicContact CD1-CD1 4.32Å; I228-L366 HydrophobicContact CG2-CB 4.05Å; V358-L366 HydrophobicContact CG2-CD2 3.83Å; P364-L366 PolarHBondContact O-N 3.07Å; L366-R368 VanDerWaalsContact C-N 3.27Å; L366-R368 PolarHBondContact O-N 3.25Å; L366-A369 PolarHBondContact O-N 2.67Å; L366-A370 PolarHBondContact O-N 2.99Å; L366-I431 HydrophobicContact CD1-CG2 3.74Å; L366-I431 HydrophobicContact CD2-CD1 3.9Å; L366-I431 HydrophobicContact CD2-CG2 4.06Å; L366-I488 HydrophobicContact CD1-CG2 3.94Å; L366-I488 HydrophobicContact CD2-CG2 4.05Å; L366-I488 HydrophobicContact CG-CG2 4.11Å; L366-N492 WeakPolarHBondContact CB-OD1 3.34Å; L366-N492 HydrophobicContact CD1-CB 4.29Å; L366-N492 PolarHBondContact N-OD1 3.29Å; L366-L494 HydrophobicContact CD1-CD1 4.14Å
367	W	98.4	Very high	97.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-41.3	-49.3	-170.9	177	-81.4	0	0	0	114	M229 A232 L233 Y239 F242 T365 A369 A370 L371 F394 V395	M229-W367 HydrophobicContact CB-CE3 4.15Å; M229-W367 HydrophobicContact CB-CH2 4.16Å; M229-W367 HydrophobicContact CB-CZ3 3.82Å; M229-W367 HydrophobicContact CG-CD2 4.29Å; M229-W367 HydrophobicContact CG-CE3 4.1Å; M229-W367 HydrophobicContact CG-CH2 4.36Å; M229-W367 HydrophobicContact CG-CZ3 4.15Å; M229-W367 WeakPolarHBondContact O-CZ3 3.41Å; A232-W367 HydrophobicContact CB-CE3 3.55Å; A232-W367 HydrophobicContact CB-CZ3 3.79Å; L233-W367 HydrophobicContact CD2-CH2 3.99Å; L233-W367 HydrophobicContact CD2-CZ3 4.25Å; L233-W367 HydrophobicContact CG-CH2 4.07Å; L233-W367 HydrophobicContact CG-CZ3 4.05Å; Y239-W367 AromaticContact CD2-CD1 3.75Å; Y239-W367 AromaticContact CD2-CD2 3.82Å; Y239-W367 HydrophobicContact CD2-CD2 3.82Å; Y239-W367 AromaticContact CD2-CE2 3.19Å; Y239-W367 HydrophobicContact CD2-CG 4.18Å; Y239-W367 HydrophobicContact CD2-CH2 4.22Å; Y239-W367 AromaticContact CD2-CZ2 3.45Å; Y239-W367 HydrophobicContact CD2-CZ2 3.45Å; Y239-W367 VanDerWaalsContact CD2-CZ2 3.45Å; Y239-W367 AromaticContact CD2-NE1 3.14Å; Y239-W367 AromaticContact CE2-CD1 3.37Å; Y239-W367 HydrophobicContact CE2-CD2 4.21Å; Y239-W367 AromaticContact CE2-CE2 3.69Å; Y239-W367 HydrophobicContact CE2-CG 4.07Å; Y239-W367 HydrophobicContact CE2-CZ2 4.33Å; Y239-W367 AromaticContact CE2-NE1 3.11Å; Y239-W367 AromaticContact CG-CZ2 3.85Å; Y239-W367 HydrophobicContact CG-CZ2 3.85Å; F242-W367 HydrophobicContact CD1-CB 4.46Å; F242-W367 HydrophobicContact CD1-CD2 4.42Å; F242-W367 HydrophobicContact CD1-CG 4.32Å; F242-W367 HydrophobicContact CE1-CB 3.55Å; F242-W367 HydrophobicContact CE1-CD2 4.32Å; F242-W367 AromaticContact CE1-CG 3.79Å; F242-W367 HydrophobicContact CE1-CG 3.79Å; F242-W367 HydrophobicContact CZ-CB 3.82Å; T365-W367 HydrophobicContact CG2-CB 3.97Å; T365-W367 PolarHBondContact O-N 2.94Å; T365-W367 VanDerWaalsContact O-N 3.1Å; W367-A369 PolarHBondContact O-N 3.03Å; W367-A370 WeakPolarHBondContact O-CB 3.28Å; W367-A370 PolarHBondContact O-N 3.01Å; W367-L371 HydrophobicContact CZ2-CD2 4.21Å; W367-L371 VanDerWaalsContact NE1-CD2 3.28Å; W367-L371 WeakPolarHBondContact O-CB 3.46Å; W367-L371 PolarHBondContact O-N 3.12Å; W367-F394 HydrophobicContact CH2-CB 4.13Å; W367-F394 WeakPolarHBondContact CH2-O 3.39Å; W367-F394 HydrophobicContact CZ2-CB 4.14Å; W367-F394 WeakPolarHBondContact CZ2-O 3.43Å; W367-V395 HydrophobicContact CZ2-CG2 4.17Å
368	R	97.8	Very high	97.9	Very high	61 Å²	61	25.2 Å²	25.2	23%	0.23	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-38.4	-174.8	179.5	163.3	176.8	76.6	-0.8	112.6	L366 L372 Y404	L366-R368 VanDerWaalsContact C-N 3.27Å; L366-R368 PolarHBondContact O-N 3.25Å; R368-L372 HydrophobicContact CG-CD1 3.9Å; R368-L372 HydrophobicContact CG-CG 4.3Å; R368-L372 VanDerWaalsContact O-CB 3.28Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 WeakPolarHBondContact O-CD1 3.43Å; R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 3.37Å; R368-Y404 VanDerWaalsContact NH1-CZ 3.33Å; R368-Y404 PolarHBondContact NH1-OH 3.26Å
369	A	98.5	Very high	97.9	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-42.9	177.2	0	0	0	0	0	110.7	L366 W367 Y373 L428 I431	L366-A369 PolarHBondContact O-N 2.67Å; W367-A369 PolarHBondContact O-N 3.03Å; A369-Y373 WeakPolarHBondContact O-CB 3.46Å; A369-Y373 PolarHBondContact O-N 3.1Å; A369-L428 HydrophobicContact CB-CB 4.09Å; A369-L428 HydrophobicContact CB-CD1 4.22Å; A369-I431 HydrophobicContact CB-CD1 3.43Å; A369-I431 VanDerWaalsContact CB-CD1 3.43Å
370	A	98.8	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-53.2	174.8	0	0	0	0	0	113	A225 I228 M229 L366 W367 L372 Y373 Y374	A225-A370 HydrophobicContact CB-CB 4.27Å; A225-A370 WeakPolarHBondContact O-CB 3.44Å; I228-A370 HydrophobicContact CB-CB 3.84Å; I228-A370 HydrophobicContact CD1-CB 4.44Å; I228-A370 HydrophobicContact CG2-CB 3.63Å; M229-A370 HydrophobicContact CG-CB 4.05Å; L366-A370 PolarHBondContact O-N 2.99Å; W367-A370 WeakPolarHBondContact O-CB 3.28Å; W367-A370 PolarHBondContact O-N 3.01Å; A370-L372 PolarHBondContact O-N 3.48Å; A370-Y373 PolarHBondContact O-N 2.71Å; A370-Y374 WeakPolarHBondContact O-CB 3.32Å; A370-Y374 PolarHBondContact O-N 2.98Å
371	L	98.7	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-38.3	179.7	-179	57.6	0	0	0	112.1	M229 W367 T375 L391 F394 V395 Y404	M229-L371 VanDerWaalsContact SD-CA 3.6Å; M229-L371 HydrophobicContact SD-CB 3.72Å; M229-L371 HydrophobicContact SD-CD1 3.71Å; M229-L371 HydrophobicContact SD-CG 4.28Å; W367-L371 HydrophobicContact CZ2-CD2 4.21Å; W367-L371 VanDerWaalsContact NE1-CD2 3.28Å; W367-L371 WeakPolarHBondContact O-CB 3.46Å; W367-L371 PolarHBondContact O-N 3.12Å; L371-T375 VanDerWaalsContact O-CB 3.26Å; L371-T375 WeakPolarHBondContact O-CB 3.36Å; L371-T375 PolarHBondContact O-N 3.38Å; L371-T375 PolarHBondContact O-OG1 2.72Å; L371-L391 HydrophobicContact CD1-CD2 4.08Å; L371-F394 HydrophobicContact CD1-CB 4.49Å; L371-V395 HydrophobicContact CD2-CG2 3.6Å; L371-Y404 HydrophobicContact CB-CE1 4.49Å; L371-Y404 HydrophobicContact CD2-CD1 4.42Å; L371-Y404 HydrophobicContact CD2-CD2 3.95Å; L371-Y404 HydrophobicContact CD2-CE1 3.96Å; L371-Y404 HydrophobicContact CD2-CE2 3.44Å; L371-Y404 VanDerWaalsContact CD2-CE2 3.44Å; L371-Y404 HydrophobicContact CD2-CG 4.44Å; L371-Y404 VanDerWaalsContact CD2-CZ 3.46Å; L371-Y404 HydrophobicContact CG-CD1 4.24Å; L371-Y404 HydrophobicContact CG-CE1 3.93Å; L371-Y404 HydrophobicContact CG-CE2 4.26Å
372	L	98.4	Very high	98.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-45.1	172.3	-75.7	172.7	0	0	0	111.7	R368 A370 T375 V376 Y404 D424 Y427	R368-L372 HydrophobicContact CG-CD1 3.9Å; R368-L372 HydrophobicContact CG-CG 4.3Å; R368-L372 VanDerWaalsContact O-CB 3.28Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 WeakPolarHBondContact O-CD1 3.43Å; R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 3.37Å; A370-L372 PolarHBondContact O-N 3.48Å; L372-T375 PolarHBondContact O-N 2.87Å; L372-V376 WeakPolarHBondContact O-CG2 3.44Å; L372-V376 PolarHBondContact O-N 2.88Å; L372-Y404 HydrophobicContact CD2-CD1 3.82Å; L372-Y404 HydrophobicContact CD2-CE1 3.64Å; L372-Y404 HydrophobicContact CG-CE1 3.98Å; L372-D424 HydrophobicContact CB-CB 4.18Å; L372-D424 HydrophobicContact CD1-CB 4.46Å; L372-D424 HydrophobicContact CD2-CB 4.12Å; L372-D424 HydrophobicContact CG-CB 4.48Å; L372-Y427 HydrophobicContact CD1-CD2 3.66Å; L372-Y427 HydrophobicContact CD1-CE2 4.11Å
373	Y	98.8	Very high	98.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-45.7	179.8	-169	-80.9	0	0	0	112.2	S218 R220 F221 L222 A225 A369 A370 Y377 Q425 L428	S218-Y373 WeakPolarHBondContact CB-OH 3.41Å; S218-Y373 PolarHBondContact O-OH 2.78Å; S218-Y373 PolarHBondContact OG-OH 2.61Å; R220-Y373 PolarHBondContact N-OH 2.86Å; F221-Y373 HydrophobicContact CB-CE1 4.07Å; F221-Y373 HydrophobicContact CB-CE2 4.11Å; F221-Y373 AromaticContact CD2-CE2 3.96Å; F221-Y373 HydrophobicContact CD2-CE2 3.96Å; F221-Y373 PolarHBondContact N-OH 2.76Å; L222-Y373 HydrophobicContact CB-CE1 4.45Å; A225-Y373 HydrophobicContact CB-CD1 4.1Å; A369-Y373 WeakPolarHBondContact O-CB 3.46Å; A369-Y373 PolarHBondContact O-N 3.1Å; A370-Y373 PolarHBondContact O-N 2.71Å; Y373-Y377 PolarHBondContact O-N 3.01Å; Y373-Q425 HydrophobicContact CD2-CB 3.66Å; Y373-Q425 HydrophobicContact CD2-CG 3.51Å; Y373-Q425 HydrophobicContact CE2-CB 3.84Å; Y373-Q425 HydrophobicContact CE2-CG 3.81Å; Y373-Q425 HydrophobicContact CG-CG 3.93Å; Y373-Q425 PolarHBondContact O-NE2 3.42Å; Y373-L428 HydrophobicContact CD1-CD2 4.28Å; Y373-L428 HydrophobicContact CD2-CB 3.97Å; Y373-L428 HydrophobicContact CD2-CD2 4.07Å; Y373-L428 HydrophobicContact CG-CB 4.28Å; Y373-L428 HydrophobicContact CG-CD2 3.8Å
374	Y	98.7	Very high	98.4	Very high	23 Å²	23	19.6 Å²	19.6	9%	0.09	9%	0.087	C	C	.	.	H	α-helix	trans	-62.9	-45.6	175.4	177.2	-94.7	0	0	0	112	L222 V226 M229 A370 V376 Y377 Q378 L391 F394	L222-Y374 HydrophobicContact CD1-CD2 3.81Å; V226-Y374 HydrophobicContact CG2-CD2 3.83Å; V226-Y374 HydrophobicContact CG2-CE2 4.07Å; M229-Y374 HydrophobicContact CE-CD1 4.2Å; M229-Y374 HydrophobicContact CE-CD2 4.15Å; M229-Y374 HydrophobicContact CE-CG 3.77Å; A370-Y374 WeakPolarHBondContact O-CB 3.32Å; A370-Y374 PolarHBondContact O-N 2.98Å; Y374-V376 PolarHBondContact O-N 3.12Å; Y374-Y377 PolarHBondContact O-N 3.46Å; Y374-Q378 HydrophobicContact CD1-CG 4.04Å; Y374-Q378 HydrophobicContact CD2-CG 4.41Å; Y374-Q378 HydrophobicContact CE1-CG 3.55Å; Y374-Q378 HydrophobicContact CE2-CG 3.96Å; Y374-Q378 HydrophobicContact CG-CG 4.43Å; Y374-Q378 VanDerWaalsContact CZ-CG 3.48Å; Y374-Q378 WeakPolarHBondContact O-CG 3.39Å; Y374-Q378 PolarHBondContact O-N 3.13Å; Y374-Q378 PolarHBondContact OH-NE2 3.25Å; Y374-L391 HydrophobicContact CD1-CD2 4.1Å; Y374-L391 HydrophobicContact CE1-CD2 4.11Å; Y374-F394 HydrophobicContact CD1-CD2 4.39Å; Y374-F394 HydrophobicContact CD1-CE2 4.18Å; Y374-F394 AromaticContact CE1-CD2 3.97Å; Y374-F394 HydrophobicContact CE1-CD2 3.97Å; Y374-F394 AromaticContact CE1-CE2 3.63Å; Y374-F394 HydrophobicContact CE1-CE2 3.63Å; Y374-F394 HydrophobicContact CE2-CE2 4.12Å; Y374-F394 AromaticContact CZ-CE2 3.61Å
375	T	98.6	Very high	98.4	Very high	2 Å²	2	20 Å²	20	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-45.2	-179	-56	0	0	0	0	111.5	L371 L372 Y377 Q378 A379 L387 L391 A408	L371-T375 VanDerWaalsContact O-CB 3.26Å; L371-T375 WeakPolarHBondContact O-CB 3.36Å; L371-T375 PolarHBondContact O-N 3.38Å; L371-T375 PolarHBondContact O-OG1 2.72Å; L372-T375 PolarHBondContact O-N 2.87Å; T375-Y377 VanDerWaalsContact C-N 3.34Å; T375-Y377 PolarHBondContact O-N 2.76Å; T375-Q378 PolarHBondContact O-N 2.66Å; T375-A379 VanDerWaalsContact O-CB 3.28Å; T375-A379 WeakPolarHBondContact O-CB 3.48Å; T375-A379 PolarHBondContact O-N 2.92Å; T375-L387 HydrophobicContact CG2-CD1 4.12Å; T375-L387 HydrophobicContact CG2-CD2 4.19Å; T375-L387 HydrophobicContact CG2-CG 4.43Å; T375-L391 HydrophobicContact CG2-CD1 4.05Å; T375-L391 HydrophobicContact CG2-CD2 4.21Å; T375-L391 WeakPolarHBondContact OG1-CD2 2.99Å; T375-A408 HydrophobicContact CG2-CB 3.69Å
376	V	98.4	Very high	98.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-44.7	176	164.8	0	0	0	0	111.2	A217 L372 Y374 A379 R380 C420 D424 Q425	A217-V376 HydrophobicContact CB-CG1 3.86Å; L372-V376 WeakPolarHBondContact O-CG2 3.44Å; L372-V376 PolarHBondContact O-N 2.88Å; Y374-V376 PolarHBondContact O-N 3.12Å; V376-A379 PolarHBondContact O-N 2.98Å; V376-R380 PolarHBondContact O-N 2.78Å; V376-C420 HydrophobicContact CG1-CB 4.26Å; V376-D424 HydrophobicContact CG2-CB 4.08Å; V376-Q425 HydrophobicContact CB-CG 3.83Å; V376-Q425 HydrophobicContact CG1-CG 3.65Å; V376-Q425 HydrophobicContact CG2-CG 4.4Å
377	Y	98.5	Very high	98.4	Very high	57 Å²	57	24.5 Å²	24.5	22%	0.224	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-50.1	178.6	-179.6	-100.3	0	0	0	111.8	A217 S218 L222 Y373 Y374 T375 A379 R380 H381	A217-Y377 HydrophobicContact CB-CD2 4.31Å; S218-Y377 WeakPolarHBondContact O-CD2 3.32Å; L222-Y377 HydrophobicContact CD1-CD1 3.69Å; L222-Y377 HydrophobicContact CD1-CE1 4.38Å; L222-Y377 HydrophobicContact CD1-CG 4.04Å; L222-Y377 HydrophobicContact CD2-CD1 3.61Å; L222-Y377 HydrophobicContact CD2-CE1 3.42Å; L222-Y377 VanDerWaalsContact CD2-CE1 3.42Å; L222-Y377 HydrophobicContact CD2-CG 4.31Å; L222-Y377 HydrophobicContact CG-CD1 4.3Å; Y373-Y377 PolarHBondContact O-N 3.01Å; Y374-Y377 PolarHBondContact O-N 3.46Å; T375-Y377 VanDerWaalsContact C-N 3.34Å; T375-Y377 PolarHBondContact O-N 2.76Å; Y377-A379 PolarHBondContact O-N 3.39Å; Y377-R380 WeakPolarHBondContact O-CB 3.33Å; Y377-R380 PolarHBondContact O-N 3.3Å; Y377-H381 AromaticContact CE2-NE2 3.88Å; Y377-H381 PolarHBondContact O-CD2 2.84Å; Y377-H381 VanDerWaalsContact O-CD2 3.31Å
378	Q	98.4	Very high	98.4	Very high	34 Å²	34	24.4 Å²	24.4	16%	0.159	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-47.4	176.3	-69.8	-65.1	-38.4	0	0	111.9	Y374 T375 R380 H381 T382 L387 N390	Y374-Q378 HydrophobicContact CD1-CG 4.04Å; Y374-Q378 HydrophobicContact CD2-CG 4.41Å; Y374-Q378 HydrophobicContact CE1-CG 3.55Å; Y374-Q378 HydrophobicContact CE2-CG 3.96Å; Y374-Q378 HydrophobicContact CG-CG 4.43Å; Y374-Q378 VanDerWaalsContact CZ-CG 3.48Å; Y374-Q378 WeakPolarHBondContact O-CG 3.39Å; Y374-Q378 PolarHBondContact O-N 3.13Å; Y374-Q378 PolarHBondContact OH-NE2 3.25Å; T375-Q378 PolarHBondContact O-N 2.66Å; Q378-R380 PolarHBondContact O-N 2.79Å; Q378-R380 VanDerWaalsContact O-N 3.12Å; Q378-H381 PolarHBondContact O-N 2.74Å; Q378-T382 PolarHBondContact O-N 3.2Å; Q378-T382 VanDerWaalsContact O-N 3.09Å; Q378-T382 PolarHBondContact O-OG1 2.97Å; Q378-T382 VanDerWaalsContact O-OG1 3.06Å; Q378-L387 HydrophobicContact CB-CD1 3.46Å; Q378-L387 VanDerWaalsContact CB-CD1 3.46Å; Q378-N390 PolarHBondContact OE1-ND2 3.04Å
379	A	98.3	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-54.9	-36.3	-178.8	0	0	0	0	0	112.7	T375 V376 Y377 H381 T382 L387 A408 K409 G419 C420	T375-A379 VanDerWaalsContact O-CB 3.28Å; T375-A379 WeakPolarHBondContact O-CB 3.48Å; T375-A379 PolarHBondContact O-N 2.92Å; V376-A379 PolarHBondContact O-N 2.98Å; Y377-A379 PolarHBondContact O-N 3.39Å; A379-H381 PolarHBondContact O-N 2.91Å; A379-H381 VanDerWaalsContact O-N 3.13Å; A379-T382 PolarHBondContact O-N 3.17Å; A379-L387 HydrophobicContact CB-CD1 4.27Å; A379-L387 HydrophobicContact CB-CD2 3.7Å; A379-A408 HydrophobicContact CB-CB 3.74Å; A379-K409 PolarHBondContact O-NZ 3.03Å; A379-G419 CarbonylContact C-O 3.4Å; A379-G419 CarbonylContact O-C 3.17Å; A379-G419 PolarHBondContact O-N 2.83Å; A379-G419 VanDerWaalsContact O-N 3.07Å; A379-C420 HydrophobicContact CB-CB 4.09Å
380	R	97.6	Very high	98.4	Very high	74 Å²	74	30.8 Å²	30.8	28%	0.279	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	179.6	-174.8	53.3	-172.6	84.7	-8.4	113.4	N215 A217 V376 Y377 Q378 G419 C420	N215-R380 WeakPolarHBondContact O-CD 3.37Å; N215-R380 PolarHBondContact O-NE 3.12Å; N215-R380 VanDerWaalsContact OD1-CD 3.27Å; N215-R380 WeakPolarHBondContact OD1-CD 3.5Å; N215-R380 PolarHBondContact OD1-NE 3.31Å; A217-R380 HydrophobicContact CB-CB 3.88Å; A217-R380 HydrophobicContact CB-CG 4.21Å; V376-R380 PolarHBondContact O-N 2.78Å; Y377-R380 WeakPolarHBondContact O-CB 3.33Å; Y377-R380 PolarHBondContact O-N 3.3Å; Q378-R380 PolarHBondContact O-N 2.79Å; Q378-R380 VanDerWaalsContact O-N 3.12Å; R380-G419 PolarHBondContact O-N 3.31Å; R380-C420 HydrophobicContact CB-CB 4.13Å
381	H	97.4	Very high	98.4	Very high	104 Å²	104	30.8 Å²	30.8	48%	0.481	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-14.4	-175.1	-60.9	-71.1	0	0	0	114.2	Y377 Q378 A379	Y377-H381 AromaticContact CE2-NE2 3.88Å; Y377-H381 PolarHBondContact O-CD2 2.84Å; Y377-H381 VanDerWaalsContact O-CD2 3.31Å; Q378-H381 PolarHBondContact O-N 2.74Å; A379-H381 PolarHBondContact O-N 2.91Å; A379-H381 VanDerWaalsContact O-N 3.13Å
382	T	98.3	Very high	98.4	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.08	15%	0.153	C	C	.	.	S	Bend	trans	-119	163.1	-172.9	65.9	0	0	0	0	113.8	Q378 A379 Q386 K409	Q378-T382 PolarHBondContact O-N 3.2Å; Q378-T382 VanDerWaalsContact O-N 3.09Å; Q378-T382 PolarHBondContact O-OG1 2.97Å; Q378-T382 VanDerWaalsContact O-OG1 3.06Å; A379-T382 PolarHBondContact O-N 3.17Å; T382-Q386 HydrophobicContact CG2-CB 4.25Å; T382-K409 WeakPolarHBondContact O-CE 3.4Å; T382-K409 PolarHBondContact O-NZ 3.08Å
383	S	98.6	Very high	98.3	Very high	14 Å²	14	39.1 Å²	39.1	10%	0.098	18%	0.178	C	C	.	.			trans	-70.5	172	162.5	74.9	0	0	0	0	112.1	N197 Q386 L387 A416	N197-S383 WeakPolarHBondContact OD1-CB 3.26Å; N197-S383 PolarHBondContact OD1-OG 3.05Å; S383-Q386 PolarHBondContact O-N 3.13Å; S383-Q386 WeakPolarHBondContact OG-CB 3.48Å; S383-Q386 WeakPolarHBondContact OG-CG 3.15Å; S383-Q386 PolarHBondContact OG-N 3.3Å; S383-Q386 PolarHBondContact OG-OE1 3.03Å; S383-L387 WeakPolarHBondContact O-CB 3.44Å; S383-L387 PolarHBondContact O-N 2.97Å; S383-A416 WeakPolarHBondContact CB-O 3.43Å
384	F	98.8	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-47.2	174	-167.8	-74.4	0	0	0	111.9	F189 N197 P198 F200 Q386 L387 F388 W402 C405 V406 K409 T415	F189-F384 HydrophobicContact CD1-CE1 4.44Å; F189-F384 HydrophobicContact CD2-CD1 4.48Å; F189-F384 HydrophobicContact CD2-CE1 4.47Å; F189-F384 HydrophobicContact CE1-CE1 4.08Å; F189-F384 AromaticContact CE2-CD1 3.97Å; F189-F384 HydrophobicContact CE2-CD1 3.97Å; F189-F384 HydrophobicContact CE2-CE1 4.14Å; F189-F384 HydrophobicContact CZ-CD1 4.06Å; F189-F384 AromaticContact CZ-CE1 3.93Å; F189-F384 HydrophobicContact CZ-CE1 3.93Å; N197-F384 PolarHBondContact OD1-N 3.26Å; N197-F384 VanDerWaalsContact OD1-N 3.14Å; P198-F384 HydrophobicContact CG-CD1 3.86Å; P198-F384 HydrophobicContact CG-CD2 4.21Å; P198-F384 HydrophobicContact CG-CE1 3.88Å; P198-F384 HydrophobicContact CG-CE2 4.24Å; P198-F384 HydrophobicContact CG-CG 4.05Å; P198-F384 HydrophobicContact CG-CZ 4.08Å; F200-F384 HydrophobicContact CE2-CD2 4.48Å; F200-F384 HydrophobicContact CE2-CE2 4.22Å; F200-F384 HydrophobicContact CZ-CD2 4.3Å; F200-F384 AromaticContact CZ-CE2 3.75Å; F200-F384 HydrophobicContact CZ-CE2 3.75Å; F384-Q386 VanDerWaalsContact C-N 3.32Å; F384-Q386 PolarHBondContact O-N 3.26Å; F384-L387 PolarHBondContact O-N 3.05Å; F384-F388 WeakPolarHBondContact O-CB 3.28Å; F384-F388 PolarHBondContact O-N 2.8Å; F384-W402 HydrophobicContact CE1-CD2 4.49Å; F384-W402 AromaticContact CE1-CE3 3.52Å; F384-W402 HydrophobicContact CE1-CE3 3.52Å; F384-W402 HydrophobicContact CE1-CH2 4.42Å; F384-W402 AromaticContact CE1-CZ3 3.48Å; F384-W402 HydrophobicContact CE1-CZ3 3.48Å; F384-W402 VanDerWaalsContact CE1-CZ3 3.48Å; F384-W402 HydrophobicContact CE2-CZ3 4.46Å; F384-W402 HydrophobicContact CZ-CD2 4.02Å; F384-W402 AromaticContact CZ-CE3 3.43Å; F384-W402 HydrophobicContact CZ-CE3 3.43Å; F384-W402 VanDerWaalsContact CZ-CE3 3.43Å; F384-W402 HydrophobicContact CZ-CH2 4.03Å; F384-W402 AromaticContact CZ-CZ3 3.43Å; F384-W402 HydrophobicContact CZ-CZ3 3.43Å; F384-W402 VanDerWaalsContact CZ-CZ3 3.43Å; F384-C405 HydrophobicContact CD1-CB 4.35Å; F384-C405 HydrophobicContact CD2-CB 4.09Å; F384-C405 HydrophobicContact CE1-CB 3.8Å; F384-C405 HydrophobicContact CE2-CB 3.49Å; F384-C405 VanDerWaalsContact CE2-CB 3.49Å; F384-C405 HydrophobicContact CG-CB 4.47Å; F384-C405 HydrophobicContact CZ-CB 3.33Å; F384-V406 HydrophobicContact CE2-CG2 4.32Å; F384-V406 HydrophobicContact CZ-CG2 4.34Å; F384-K409 HydrophobicContact CD2-CB 4.11Å; F384-K409 HydrophobicContact CD2-CG 3.9Å; F384-T415 WeakPolarHBondContact CB-OG1 3.46Å; F384-T415 HydrophobicContact CD2-CG2 4.28Å; F384-T415 PolarHBondContact N-O 3.49Å
385	T	98.6	Very high	98.3	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-56.9	-45.2	176.2	-55.8	0	0	0	0	112	F194 S195 Y196 N197 R389	F194-T385 WeakPolarHBondContact O-CG2 3.13Å; S195-T385 PolarHBondContact O-OG1 2.79Å; Y196-T385 PolarHBondContact O-OG1 3.48Å; N197-T385 PolarHBondContact ND2-OG1 2.95Å; N197-T385 PolarHBondContact OD1-N 2.72Å; N197-T385 VanDerWaalsContact OD1-N 3.07Å; N197-T385 PolarHBondContact OD1-OG1 3.38Å; T385-R389 VanDerWaalsContact O-CG 3.3Å; T385-R389 WeakPolarHBondContact O-CG 3.17Å; T385-R389 PolarHBondContact O-N 2.78Å; T385-R389 VanDerWaalsContact O-N 3.11Å
386	Q	98.7	Very high	98.2	Very high	102 Å²	102	44 Å²	44	48%	0.477	20%	0.202	S	C	.	.	H	α-helix	trans	-66.7	-43.2	178.6	-74.9	168.6	-19.1	0	0	111.4	T382 S383 F384 F388 R389 N390	T382-Q386 HydrophobicContact CG2-CB 4.25Å; S383-Q386 PolarHBondContact O-N 3.13Å; S383-Q386 WeakPolarHBondContact OG-CB 3.48Å; S383-Q386 WeakPolarHBondContact OG-CG 3.15Å; S383-Q386 PolarHBondContact OG-N 3.3Å; S383-Q386 PolarHBondContact OG-OE1 3.03Å; F384-Q386 VanDerWaalsContact C-N 3.32Å; F384-Q386 PolarHBondContact O-N 3.26Å; Q386-F388 PolarHBondContact O-N 3.37Å; Q386-R389 PolarHBondContact O-N 3.08Å; Q386-N390 WeakPolarHBondContact O-CB 3.38Å; Q386-N390 VanDerWaalsContact O-CG 3.23Å; Q386-N390 PolarHBondContact O-N 2.87Å; Q386-N390 PolarHBondContact O-OD1 3.17Å
387	L	98.7	Very high	98.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-49.6	175.4	-176.8	62.1	0	0	0	111.1	T375 Q378 A379 S383 F384 R389 N390 L391 C405 A408 K409	T375-L387 HydrophobicContact CG2-CD1 4.12Å; T375-L387 HydrophobicContact CG2-CD2 4.19Å; T375-L387 HydrophobicContact CG2-CG 4.43Å; Q378-L387 HydrophobicContact CB-CD1 3.46Å; Q378-L387 VanDerWaalsContact CB-CD1 3.46Å; A379-L387 HydrophobicContact CB-CD1 4.27Å; A379-L387 HydrophobicContact CB-CD2 3.7Å; S383-L387 WeakPolarHBondContact O-CB 3.44Å; S383-L387 PolarHBondContact O-N 2.97Å; F384-L387 PolarHBondContact O-N 3.05Å; L387-R389 VanDerWaalsContact C-N 3.28Å; L387-R389 PolarHBondContact O-N 2.96Å; L387-N390 PolarHBondContact O-N 3.39Å; L387-N390 VanDerWaalsContact O-N 3.14Å; L387-L391 HydrophobicContact CD1-CG 4.49Å; L387-L391 WeakPolarHBondContact O-CG 3.37Å; L387-L391 PolarHBondContact O-N 2.64Å; L387-C405 HydrophobicContact CD2-CB 4.07Å; L387-A408 HydrophobicContact CD2-CB 4.29Å; L387-K409 HydrophobicContact CD2-CG 4.25Å
388	F	98.8	Very high	98.2	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-35.2	179.9	-177.1	-91.2	0	0	0	113.3	F189 F194 F384 Q386 P398 R401 W402 C405	F189-F388 HydrophobicContact CE1-CB 4.49Å; F189-F388 AromaticContact CE1-CD1 3.95Å; F189-F388 HydrophobicContact CE1-CD1 3.95Å; F189-F388 AromaticContact CE1-CD2 3.65Å; F189-F388 HydrophobicContact CE1-CD2 3.65Å; F189-F388 HydrophobicContact CE1-CE1 4Å; F189-F388 AromaticContact CE1-CE2 3.69Å; F189-F388 HydrophobicContact CE1-CE2 3.69Å; F189-F388 AromaticContact CE1-CG 3.77Å; F189-F388 HydrophobicContact CE1-CG 3.77Å; F189-F388 AromaticContact CE1-CZ 3.87Å; F189-F388 HydrophobicContact CE1-CZ 3.87Å; F189-F388 HydrophobicContact CZ-CB 3.92Å; F189-F388 AromaticContact CZ-CD1 3.74Å; F189-F388 HydrophobicContact CZ-CD1 3.74Å; F189-F388 AromaticContact CZ-CD2 3.95Å; F189-F388 HydrophobicContact CZ-CD2 3.95Å; F189-F388 HydrophobicContact CZ-CE1 4.2Å; F189-F388 HydrophobicContact CZ-CE2 4.37Å; F189-F388 AromaticContact CZ-CG 3.59Å; F189-F388 HydrophobicContact CZ-CG 3.59Å; F189-F388 HydrophobicContact CZ-CZ 4.49Å; F194-F388 HydrophobicContact CB-CD1 3.99Å; F194-F388 HydrophobicContact CB-CE1 3.81Å; F194-F388 HydrophobicContact CD1-CD1 4.3Å; F194-F388 AromaticContact CD1-CE1 3.43Å; F194-F388 HydrophobicContact CD1-CE1 3.43Å; F194-F388 VanDerWaalsContact CD1-CE1 3.43Å; F194-F388 AromaticContact CD1-CZ 3.56Å; F194-F388 HydrophobicContact CD1-CZ 3.56Å; F194-F388 AromaticContact CD2-CE1 3.84Å; F194-F388 HydrophobicContact CD2-CE1 3.84Å; F194-F388 AromaticContact CE1-CE1 3.86Å; F194-F388 HydrophobicContact CE1-CE1 3.86Å; F194-F388 AromaticContact CE1-CZ 3.62Å; F194-F388 HydrophobicContact CE1-CZ 3.62Å; F194-F388 HydrophobicContact CE2-CE1 4.24Å; F194-F388 HydrophobicContact CG-CD1 4.09Å; F194-F388 AromaticContact CG-CE1 3.39Å; F194-F388 HydrophobicContact CG-CE1 3.39Å; F194-F388 HydrophobicContact CG-CZ 4.03Å; F194-F388 HydrophobicContact CZ-CE1 4.24Å; F194-F388 HydrophobicContact CZ-CZ 4.16Å; F384-F388 WeakPolarHBondContact O-CB 3.28Å; F384-F388 PolarHBondContact O-N 2.8Å; Q386-F388 PolarHBondContact O-N 3.37Å; F388-P398 HydrophobicContact CE2-CB 4.39Å; F388-P398 WeakPolarHBondContact CE2-O 3.14Å; F388-P398 HydrophobicContact CZ-CB 3.69Å; F388-R401 HydrophobicContact CD2-CB 3.73Å; F388-R401 VanDerWaalsContact CE1-NH1 3.33Å; F388-R401 HydrophobicContact CE2-CB 3.52Å; F388-R401 HydrophobicContact CZ-CB 4.25Å; F388-R401 WeakPolarHBondContact O-CD 3.27Å; F388-R401 PolarHBondContact O-NH1 2.77Å; F388-R401 VanDerWaalsContact O-NH1 3.14Å; F388-W402 HydrophobicContact CE2-CB 4.35Å; F388-C405 VanDerWaalsContact CA-SG 3.57Å
389	R	98.5	Very high	98.1	Very high	144 Å²	144	47.8 Å²	47.8	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-71.8	-45.2	173	-70	171.1	-175.6	-173.5	-0.5	111.2	T385 Q386 L387 L391 G392	T385-R389 VanDerWaalsContact O-CG 3.3Å; T385-R389 WeakPolarHBondContact O-CG 3.17Å; T385-R389 PolarHBondContact O-N 2.78Å; T385-R389 VanDerWaalsContact O-N 3.11Å; Q386-R389 PolarHBondContact O-N 3.08Å; L387-R389 VanDerWaalsContact C-N 3.28Å; L387-R389 PolarHBondContact O-N 2.96Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 3.44Å; R389-G392 WeakPolarHBondContact O-CA 3.42Å; R389-G392 PolarHBondContact O-N 3.27Å
390	N	97.9	Very high	97.9	Very high	60 Å²	60	49.1 Å²	49.1	32%	0.321	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-37.7	178.1	-69.7	7.9	0	0	0	112.5	Q378 Q386 L387 G392 R393	Q378-N390 PolarHBondContact OE1-ND2 3.04Å; Q386-N390 WeakPolarHBondContact O-CB 3.38Å; Q386-N390 VanDerWaalsContact O-CG 3.23Å; Q386-N390 PolarHBondContact O-N 2.87Å; Q386-N390 PolarHBondContact O-OD1 3.17Å; L387-N390 PolarHBondContact O-N 3.39Å; L387-N390 VanDerWaalsContact O-N 3.14Å; N390-G392 PolarHBondContact O-N 2.93Å; N390-R393 PolarHBondContact O-N 3.42Å
391	L	98.4	Very high	98	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.3	-20.5	173.6	-64.7	-170.7	0	0	0	113.2	L371 Y374 T375 L387 R389 R393 F394 V395 R401	L371-L391 HydrophobicContact CD1-CD2 4.08Å; Y374-L391 HydrophobicContact CD1-CD2 4.1Å; Y374-L391 HydrophobicContact CE1-CD2 4.11Å; T375-L391 HydrophobicContact CG2-CD1 4.05Å; T375-L391 HydrophobicContact CG2-CD2 4.21Å; T375-L391 WeakPolarHBondContact OG1-CD2 2.99Å; L387-L391 HydrophobicContact CD1-CG 4.49Å; L387-L391 WeakPolarHBondContact O-CG 3.37Å; L387-L391 PolarHBondContact O-N 2.64Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 3.44Å; L391-R393 PolarHBondContact O-N 3.13Å; L391-R393 VanDerWaalsContact O-N 3.13Å; L391-F394 PolarHBondContact O-N 3.42Å; L391-V395 PolarHBondContact O-N 3.2Å; L391-R401 HydrophobicContact CB-CG 3.91Å
392	G	97.9	Very high	98	Very high	32 Å²	32	42.4 Å²	42.4	33%	0.33	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.7	-19	176.4	0	0	0	0	0	114.3	R389 N390 F394 V395	R389-G392 WeakPolarHBondContact O-CA 3.42Å; R389-G392 PolarHBondContact O-N 3.27Å; N390-G392 PolarHBondContact O-N 2.93Å; G392-F394 VanDerWaalsContact C-N 3.28Å; G392-F394 PolarHBondContact O-N 3.36Å; G392-V395 WeakPolarHBondContact CA-O 3.37Å
393	R	96.8	Very high	97.9	Very high	150 Å²	150	45 Å²	45	57%	0.566	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-67.5	-26.4	171.4	-176.3	173.5	-174.2	-114.7	-5.7	113.2	E230 N390 L391	E230-R393 IonicContact OE1-CZ 3.84Å; E230-R393 IonicContact OE1-NH1 3.42Å; E230-R393 PolarHBondContact OE1-NH1 3.23Å; E230-R393 IonicContact OE1-NH2 3.99Å; E230-R393 PolarHBondContact OE1-NH2 3.2Å; N390-R393 PolarHBondContact O-N 3.42Å; L391-R393 PolarHBondContact O-N 3.13Å; L391-R393 VanDerWaalsContact O-N 3.13Å
394	F	98.3	Very high	97.9	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-30.1	-170.8	-59.8	-76.5	0	0	0	113.8	M229 E230 L233 Y239 W367 L371 Y374 L391 G392	M229-F394 HydrophobicContact CB-CD1 3.67Å; M229-F394 HydrophobicContact CB-CE1 3.83Å; M229-F394 HydrophobicContact CE-CD1 3.99Å; M229-F394 HydrophobicContact CE-CD2 4.22Å; M229-F394 HydrophobicContact CE-CE1 3.74Å; M229-F394 HydrophobicContact CE-CE2 3.99Å; M229-F394 HydrophobicContact CE-CG 4.2Å; M229-F394 HydrophobicContact CE-CZ 3.72Å; M229-F394 HydrophobicContact CG-CD1 4.39Å; M229-F394 HydrophobicContact SD-CB 4.34Å; M229-F394 HydrophobicContact SD-CD1 3.93Å; M229-F394 HydrophobicContact SD-CD2 4.43Å; M229-F394 HydrophobicContact SD-CE1 4.28Å; M229-F394 HydrophobicContact SD-CG 3.99Å; E230-F394 HydrophobicContact CG-CE1 4.24Å; L233-F394 HydrophobicContact CD1-CD1 3.92Å; Y239-F394 VanDerWaalsContact CB-O 3.32Å; Y239-F394 WeakPolarHBondContact CB-O 3.49Å; W367-F394 HydrophobicContact CH2-CB 4.13Å; W367-F394 WeakPolarHBondContact CH2-O 3.39Å; W367-F394 HydrophobicContact CZ2-CB 4.14Å; W367-F394 WeakPolarHBondContact CZ2-O 3.43Å; L371-F394 HydrophobicContact CD1-CB 4.49Å; Y374-F394 HydrophobicContact CD1-CD2 4.39Å; Y374-F394 HydrophobicContact CD1-CE2 4.18Å; Y374-F394 AromaticContact CE1-CD2 3.97Å; Y374-F394 HydrophobicContact CE1-CD2 3.97Å; Y374-F394 AromaticContact CE1-CE2 3.63Å; Y374-F394 HydrophobicContact CE1-CE2 3.63Å; Y374-F394 HydrophobicContact CE2-CE2 4.12Å; Y374-F394 AromaticContact CZ-CE2 3.61Å; L391-F394 PolarHBondContact O-N 3.42Å; G392-F394 VanDerWaalsContact C-N 3.28Å; G392-F394 PolarHBondContact O-N 3.36Å
395	V	98.3	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.			trans	-129.9	123.1	179.3	177.9	0	0	0	0	108.1	Y239 W367 L371 L391 G392 D397 T400 R401	Y239-V395 HydrophobicContact CD1-CG1 4.03Å; Y239-V395 HydrophobicContact CD1-CG2 4.05Å; Y239-V395 HydrophobicContact CG-CG2 4.04Å; W367-V395 HydrophobicContact CZ2-CG2 4.17Å; L371-V395 HydrophobicContact CD2-CG2 3.6Å; L391-V395 PolarHBondContact O-N 3.2Å; G392-V395 WeakPolarHBondContact CA-O 3.37Å; V395-D397 HydrophobicContact CG1-CB 4.37Å; V395-T400 HydrophobicContact CG1-CG2 3.76Å; V395-R401 HydrophobicContact CB-CG 3.84Å; V395-R401 HydrophobicContact CG1-CG 3.87Å; V395-R401 WeakPolarHBondContact O-CD 3.38Å; V395-R401 PolarHBondContact O-NE 3.02Å; V395-R401 VanDerWaalsContact O-NE 3.08Å
396	Q	97.8	Very high	97.8	Very high	125 Å²	125	44.3 Å²	44.3	58%	0.584	21%	0.212	S	C	*	.			trans	-81.1	-41.9	-180	-56	-177.3	2.7	0	0	110.2	E240 P398 R401	E240-Q396 WeakPolarHBondContact OE1-CA 3.35Å; E240-Q396 PolarHBondContact OE1-N 2.97Å; Q396-P398 WeakPolarHBondContact O-CD 3.17Å; Q396-R401 PolarHBondContact O-NE 2.78Å; Q396-R401 PolarHBondContact O-NH2 3.3Å
397	D	97.4	Very high	97.6	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	19%	0.192	S	C	.	.			trans	-58	119.4	-178.7	169.3	33.9	0	0	0	112.5	E240 V395 Q399 T400 R401	E240-D397 HydrophobicContact CG-CB 4.44Å; E240-D397 PolarHBondContact OE1-N 3.27Å; V395-D397 HydrophobicContact CG1-CB 4.37Å; D397-Q399 VanDerWaalsContact C-N 3.29Å; D397-Q399 PolarHBondContact O-N 3.46Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.4Å; D397-Q399 PolarHBondContact OD1-N 3.28Å; D397-T400 WeakPolarHBondContact OD2-CB 3.48Å; D397-T400 PolarHBondContact OD2-N 3.16Å; D397-T400 PolarHBondContact OD2-OG1 3.45Å; D397-R401 WeakPolarHBondContact O-CG 3.17Å; D397-R401 PolarHBondContact O-N 2.98Å; D397-R401 VanDerWaalsContact O-N 3.13Å
398	P	98	Very high	97.6	Very high	38 Å²	38	40.2 Å²	40.2	25%	0.247	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-25.8	176.9	29.4	-36.2	0	0	0	113.2	F190 F194 F388 Q396 W402	F190-P398 HydrophobicContact CE1-CB 3.8Å; F190-P398 HydrophobicContact CE1-CG 4.02Å; F190-P398 HydrophobicContact CZ-CB 3.99Å; F194-P398 HydrophobicContact CE1-CB 4Å; F194-P398 HydrophobicContact CZ-CB 3.8Å; F194-P398 HydrophobicContact CZ-CG 4.44Å; F388-P398 HydrophobicContact CE2-CB 4.39Å; F388-P398 WeakPolarHBondContact CE2-O 3.14Å; F388-P398 HydrophobicContact CZ-CB 3.69Å; Q396-P398 WeakPolarHBondContact O-CD 3.17Å; P398-W402 WeakPolarHBondContact O-CB 3.45Å; P398-W402 PolarHBondContact O-N 3.18Å
399	Q	96.1	Very high	97.5	Very high	87 Å²	87	40.2 Å²	40.2	41%	0.407	19%	0.192	S	C	.	.	H	α-helix	trans	-68.1	-52.3	178.9	-59.9	-65.5	-19.1	0	0	110.6	F190 D397 R401 W402 D403	F190-Q399 VanDerWaalsContact CE1-NE2 3.33Å; D397-Q399 VanDerWaalsContact C-N 3.29Å; D397-Q399 PolarHBondContact O-N 3.46Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.4Å; D397-Q399 PolarHBondContact OD1-N 3.28Å; Q399-R401 VanDerWaalsContact C-N 3.33Å; Q399-R401 PolarHBondContact O-N 3.4Å; Q399-W402 WeakPolarHBondContact O-CB 3.24Å; Q399-W402 PolarHBondContact O-N 2.88Å; Q399-D403 PolarHBondContact O-N 2.86Å; Q399-D403 VanDerWaalsContact O-N 3.16Å
400	T	96.1	Very high	97.3	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-42.3	175.1	-63.2	0	0	0	0	111.4	Y239 V395 D397 W402 D403 Y404	Y239-T400 HydrophobicContact CE1-CG2 4.07Å; V395-T400 HydrophobicContact CG1-CG2 3.76Å; D397-T400 WeakPolarHBondContact OD2-CB 3.48Å; D397-T400 PolarHBondContact OD2-N 3.16Å; D397-T400 PolarHBondContact OD2-OG1 3.45Å; T400-W402 PolarHBondContact O-N 2.73Å; T400-D403 PolarHBondContact O-N 3.21Å; T400-Y404 HydrophobicContact CG2-CD2 3.77Å; T400-Y404 HydrophobicContact CG2-CE2 3.54Å; T400-Y404 VanDerWaalsContact O-CD2 3.24Å; T400-Y404 WeakPolarHBondContact O-CD2 3.43Å; T400-Y404 PolarHBondContact O-N 3.13Å; T400-Y404 VanDerWaalsContact O-N 3.13Å
401	R	98.1	Very high	97.1	Very high	36 Å²	36	31.6 Å²	31.6	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-40.9	175.3	-77.8	-170.7	-79.6	151	-8.2	113.1	F388 L391 V395 Q396 D397 Q399 Y404 C405	F388-R401 HydrophobicContact CD2-CB 3.73Å; F388-R401 VanDerWaalsContact CE1-NH1 3.33Å; F388-R401 HydrophobicContact CE2-CB 3.52Å; F388-R401 HydrophobicContact CZ-CB 4.25Å; F388-R401 WeakPolarHBondContact O-CD 3.27Å; F388-R401 PolarHBondContact O-NH1 2.77Å; F388-R401 VanDerWaalsContact O-NH1 3.14Å; L391-R401 HydrophobicContact CB-CG 3.91Å; V395-R401 HydrophobicContact CB-CG 3.84Å; V395-R401 HydrophobicContact CG1-CG 3.87Å; V395-R401 WeakPolarHBondContact O-CD 3.38Å; V395-R401 PolarHBondContact O-NE 3.02Å; V395-R401 VanDerWaalsContact O-NE 3.08Å; Q396-R401 PolarHBondContact O-NE 2.78Å; Q396-R401 PolarHBondContact O-NH2 3.3Å; D397-R401 WeakPolarHBondContact O-CG 3.17Å; D397-R401 PolarHBondContact O-N 2.98Å; D397-R401 VanDerWaalsContact O-N 3.13Å; Q399-R401 VanDerWaalsContact C-N 3.33Å; Q399-R401 PolarHBondContact O-N 3.4Å; R401-Y404 PolarHBondContact O-N 2.97Å; R401-C405 PolarHBondContact O-N 3.49Å; R401-C405 PolarHBondContact O-SG 3.29Å
402	W	98	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-48.6	174.8	169.6	-90	0	0	0	111.1	V182 E185 K186 F189 F190 P198 F200 F384 F388 P398 Q399 T400 Y404 C405 V406	V182-W402 HydrophobicContact CG1-CZ2 4.13Å; E185-W402 HydrophobicContact CB-CH2 4.22Å; K186-W402 VanDerWaalsContact CA-CH2 3.49Å; K186-W402 HydrophobicContact CB-CD2 4.23Å; K186-W402 HydrophobicContact CB-CH2 4.07Å; K186-W402 HydrophobicContact CB-CZ2 3.53Å; K186-W402 HydrophobicContact CD-CD2 4.32Å; K186-W402 HydrophobicContact CD-CG 4.13Å; K186-W402 VanDerWaalsContact CE-CD1 3.4Å; K186-W402 HydrophobicContact CG-CD2 3.8Å; K186-W402 HydrophobicContact CG-CE3 4.4Å; K186-W402 HydrophobicContact CG-CG 4.06Å; K186-W402 HydrophobicContact CG-CZ2 4.06Å; F189-W402 HydrophobicContact CB-CE3 4.22Å; F189-W402 HydrophobicContact CB-CH2 4.25Å; F189-W402 HydrophobicContact CB-CZ3 3.52Å; F189-W402 AromaticContact CD1-CE3 3.39Å; F189-W402 HydrophobicContact CD1-CE3 3.39Å; F189-W402 AromaticContact CD1-CZ3 3.52Å; F189-W402 HydrophobicContact CD1-CZ3 3.52Å; F189-W402 HydrophobicContact CD2-CZ3 4.33Å; F189-W402 AromaticContact CE1-CE3 3.91Å; F189-W402 HydrophobicContact CE1-CE3 3.91Å; F189-W402 HydrophobicContact CE1-CZ3 4.27Å; F189-W402 AromaticContact CG-CE3 3.95Å; F189-W402 HydrophobicContact CG-CE3 3.95Å; F189-W402 AromaticContact CG-CZ3 3.54Å; F189-W402 HydrophobicContact CG-CZ3 3.54Å; F190-W402 HydrophobicContact CE2-CB 4.11Å; F190-W402 HydrophobicContact CE2-CD2 4.4Å; F190-W402 HydrophobicContact CE2-CE3 4.33Å; F190-W402 HydrophobicContact CE2-CG 4.31Å; F190-W402 HydrophobicContact CZ-CB 4.39Å; P198-W402 HydrophobicContact CB-CH2 4.05Å; P198-W402 HydrophobicContact CB-CZ3 4.48Å; P198-W402 HydrophobicContact CG-CH2 3.48Å; P198-W402 VanDerWaalsContact CG-CH2 3.48Å; P198-W402 HydrophobicContact CG-CZ3 3.45Å; P198-W402 VanDerWaalsContact CG-CZ3 3.45Å; F200-W402 HydrophobicContact CE1-CH2 4.34Å; F200-W402 HydrophobicContact CE1-CZ2 4.36Å; F384-W402 HydrophobicContact CE1-CD2 4.49Å; F384-W402 AromaticContact CE1-CE3 3.52Å; F384-W402 HydrophobicContact CE1-CE3 3.52Å; F384-W402 HydrophobicContact CE1-CH2 4.42Å; F384-W402 AromaticContact CE1-CZ3 3.48Å; F384-W402 HydrophobicContact CE1-CZ3 3.48Å; F384-W402 VanDerWaalsContact CE1-CZ3 3.48Å; F384-W402 HydrophobicContact CE2-CZ3 4.46Å; F384-W402 HydrophobicContact CZ-CD2 4.02Å; F384-W402 AromaticContact CZ-CE3 3.43Å; F384-W402 HydrophobicContact CZ-CE3 3.43Å; F384-W402 VanDerWaalsContact CZ-CE3 3.43Å; F384-W402 HydrophobicContact CZ-CH2 4.03Å; F384-W402 AromaticContact CZ-CZ3 3.43Å; F384-W402 HydrophobicContact CZ-CZ3 3.43Å; F384-W402 VanDerWaalsContact CZ-CZ3 3.43Å; F388-W402 HydrophobicContact CE2-CB 4.35Å; P398-W402 WeakPolarHBondContact O-CB 3.45Å; P398-W402 PolarHBondContact O-N 3.18Å; Q399-W402 WeakPolarHBondContact O-CB 3.24Å; Q399-W402 PolarHBondContact O-N 2.88Å; T400-W402 PolarHBondContact O-N 2.73Å; W402-Y404 PolarHBondContact O-N 3.02Å; W402-C405 WeakPolarHBondContact O-CB 3.11Å; W402-C405 PolarHBondContact O-N 3.05Å; W402-C405 VanDerWaalsContact O-N 3.07Å; W402-V406 HydrophobicContact CD2-CG2 4.14Å; W402-V406 HydrophobicContact CG-CG2 4.36Å; W402-V406 HydrophobicContact CZ2-CG2 3.86Å; W402-V406 WeakPolarHBondContact O-CG2 3.47Å; W402-V406 PolarHBondContact O-N 2.87Å
403	D	96.3	Very high	96.9	Very high	67 Å²	67	35.7 Å²	35.7	36%	0.358	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-40.1	-177.7	-67.5	-8.5	0	0	0	112.3	K186 Q399 T400 V406 R407	K186-D403 IonicContact NZ-OD1 3.25Å; Q399-D403 PolarHBondContact O-N 2.86Å; Q399-D403 VanDerWaalsContact O-N 3.16Å; T400-D403 PolarHBondContact O-N 3.21Å; D403-V406 PolarHBondContact O-N 3.36Å; D403-R407 WeakPolarHBondContact O-CG 3.49Å; D403-R407 PolarHBondContact O-N 3.49Å
404	Y	97.8	Very high	96.9	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-41.6	172	-81.5	-71.9	0	0	0	112.1	R368 L371 L372 T400 R401 W402 R407 A408	R368-Y404 VanDerWaalsContact NH1-CZ 3.33Å; R368-Y404 PolarHBondContact NH1-OH 3.26Å; L371-Y404 HydrophobicContact CB-CE1 4.49Å; L371-Y404 HydrophobicContact CD2-CD1 4.42Å; L371-Y404 HydrophobicContact CD2-CD2 3.95Å; L371-Y404 HydrophobicContact CD2-CE1 3.96Å; L371-Y404 HydrophobicContact CD2-CE2 3.44Å; L371-Y404 VanDerWaalsContact CD2-CE2 3.44Å; L371-Y404 HydrophobicContact CD2-CG 4.44Å; L371-Y404 VanDerWaalsContact CD2-CZ 3.46Å; L371-Y404 HydrophobicContact CG-CD1 4.24Å; L371-Y404 HydrophobicContact CG-CE1 3.93Å; L371-Y404 HydrophobicContact CG-CE2 4.26Å; L372-Y404 HydrophobicContact CD2-CD1 3.82Å; L372-Y404 HydrophobicContact CD2-CE1 3.64Å; L372-Y404 HydrophobicContact CG-CE1 3.98Å; T400-Y404 HydrophobicContact CG2-CD2 3.77Å; T400-Y404 HydrophobicContact CG2-CE2 3.54Å; T400-Y404 VanDerWaalsContact O-CD2 3.24Å; T400-Y404 WeakPolarHBondContact O-CD2 3.43Å; T400-Y404 PolarHBondContact O-N 3.13Å; T400-Y404 VanDerWaalsContact O-N 3.13Å; R401-Y404 PolarHBondContact O-N 2.97Å; W402-Y404 PolarHBondContact O-N 3.02Å; Y404-R407 PolarHBondContact O-N 3.39Å; Y404-A408 PolarHBondContact O-N 2.95Å; Y404-A408 VanDerWaalsContact O-N 3.12Å
405	C	98.4	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-45.5	176.3	-65.1	0	0	0	0	112	F384 L387 F388 R401 W402 R407 A408 K409	F384-C405 HydrophobicContact CD1-CB 4.35Å; F384-C405 HydrophobicContact CD2-CB 4.09Å; F384-C405 HydrophobicContact CE1-CB 3.8Å; F384-C405 HydrophobicContact CE2-CB 3.49Å; F384-C405 VanDerWaalsContact CE2-CB 3.49Å; F384-C405 HydrophobicContact CG-CB 4.47Å; F384-C405 HydrophobicContact CZ-CB 3.33Å; L387-C405 HydrophobicContact CD2-CB 4.07Å; F388-C405 VanDerWaalsContact CA-SG 3.57Å; R401-C405 PolarHBondContact O-N 3.49Å; R401-C405 PolarHBondContact O-SG 3.29Å; W402-C405 WeakPolarHBondContact O-CB 3.11Å; W402-C405 PolarHBondContact O-N 3.05Å; W402-C405 VanDerWaalsContact O-N 3.07Å; C405-R407 PolarHBondContact O-N 3.2Å; C405-A408 PolarHBondContact O-N 2.9Å; C405-K409 VanDerWaalsContact O-CB 3.3Å; C405-K409 WeakPolarHBondContact O-CB 3.35Å; C405-K409 PolarHBondContact O-N 3.48Å
406	V	97.4	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174.4	174.6	0	0	0	0	110.5	V182 F200 L282 F384 W402 D403 A408 K409 R410	V182-V406 HydrophobicContact CG1-CG2 4.31Å; F200-V406 HydrophobicContact CZ-CG2 3.96Å; L282-V406 HydrophobicContact CD1-CG1 4.33Å; L282-V406 HydrophobicContact CD2-CG1 3.83Å; F384-V406 HydrophobicContact CE2-CG2 4.32Å; F384-V406 HydrophobicContact CZ-CG2 4.34Å; W402-V406 HydrophobicContact CD2-CG2 4.14Å; W402-V406 HydrophobicContact CG-CG2 4.36Å; W402-V406 HydrophobicContact CZ2-CG2 3.86Å; W402-V406 WeakPolarHBondContact O-CG2 3.47Å; W402-V406 PolarHBondContact O-N 2.87Å; D403-V406 PolarHBondContact O-N 3.36Å; V406-A408 VanDerWaalsContact C-N 3.26Å; V406-A408 PolarHBondContact O-N 2.92Å; V406-K409 PolarHBondContact O-N 3.14Å; V406-R410 VanDerWaalsContact O-CB 3.32Å; V406-R410 WeakPolarHBondContact O-CB 3.42Å; V406-R410 PolarHBondContact O-N 2.9Å
407	R	95.7	Very high	96.9	Very high	15 Å²	15	32.5 Å²	32.5	6%	0.057	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-36.2	179.1	-78.9	-172.3	70.4	101.9	3.5	113.6	L282 S283 D403 Y404 C405 R410 D424	L282-R407 WeakPolarHBondContact O-CD 3.1Å; L282-R407 PolarHBondContact O-NH1 3.19Å; S283-R407 VanDerWaalsContact CA-NH1 3.32Å; D403-R407 WeakPolarHBondContact O-CG 3.49Å; D403-R407 PolarHBondContact O-N 3.49Å; Y404-R407 PolarHBondContact O-N 3.39Å; C405-R407 PolarHBondContact O-N 3.2Å; R407-R410 WeakPolarHBondContact O-CD 3.36Å; R407-R410 WeakPolarHBondContact O-CG 3.23Å; R407-R410 PolarHBondContact O-NE 2.73Å; R407-D424 IonicContact CZ-OD1 2.73Å; R407-D424 IonicContact CZ-OD2 2.87Å; R407-D424 IonicContact NE-OD2 3.87Å; R407-D424 PolarHBondContact NE-OD2 3.19Å; R407-D424 IonicContact NH2-OD1 2.89Å; R407-D424 PolarHBondContact NH2-OD1 3.44Å; R407-D424 IonicContact NH2-OD2 2.86Å; R407-D424 PolarHBondContact NH2-OD2 3.24Å
408	A	97.2	Very high	96.9	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-86.7	-26.1	-179.2	0	0	0	0	0	113.8	T375 A379 L387 Y404 C405 V406 C420 F421	T375-A408 HydrophobicContact CG2-CB 3.69Å; A379-A408 HydrophobicContact CB-CB 3.74Å; L387-A408 HydrophobicContact CD2-CB 4.29Å; Y404-A408 PolarHBondContact O-N 2.95Å; Y404-A408 VanDerWaalsContact O-N 3.12Å; C405-A408 PolarHBondContact O-N 2.9Å; V406-A408 VanDerWaalsContact C-N 3.26Å; V406-A408 PolarHBondContact O-N 2.92Å; A408-C420 CarbonylContact O-C 3.53Å; A408-C420 VanDerWaalsContact O-CA 3.25Å; A408-C420 WeakPolarHBondContact O-CA 3.49Å; A408-F421 PolarHBondContact O-N 2.65Å
409	K	97.4	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-97.4	-9.1	-179.8	-72	-68.8	-171.6	-173.4	0	115.1	F200 A379 T382 F384 L387 C405 V406 Q412 T415 M417 G419	F200-K409 HydrophobicContact CE2-CB 4.23Å; A379-K409 PolarHBondContact O-NZ 3.03Å; T382-K409 WeakPolarHBondContact O-CE 3.4Å; T382-K409 PolarHBondContact O-NZ 3.08Å; F384-K409 HydrophobicContact CD2-CB 4.11Å; F384-K409 HydrophobicContact CD2-CG 3.9Å; L387-K409 HydrophobicContact CD2-CG 4.25Å; C405-K409 VanDerWaalsContact O-CB 3.3Å; C405-K409 WeakPolarHBondContact O-CB 3.35Å; C405-K409 PolarHBondContact O-N 3.48Å; V406-K409 PolarHBondContact O-N 3.14Å; K409-Q412 WeakPolarHBondContact O-CB 3.46Å; K409-Q412 PolarHBondContact O-N 2.85Å; K409-Q412 VanDerWaalsContact O-N 3.15Å; K409-T415 HydrophobicContact CB-CG2 4.33Å; K409-M417 PolarHBondContact NZ-O 3.14Å; K409-G419 PolarHBondContact NZ-O 2.89Å
410	R	94.9	Very high	96.9	Very high	9 Å²	9	27.6 Å²	27.6	3%	0.034	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	144.3	180	70.5	-175.7	152.8	158.6	-3.5	113.3	I177 V406 R407 Q412 F421 D424	I177-R410 HydrophobicContact CD1-CG 4.4Å; I177-R410 HydrophobicContact CG1-CG 4.49Å; I177-R410 WeakPolarHBondContact O-CB 3.44Å; V406-R410 VanDerWaalsContact O-CB 3.32Å; V406-R410 WeakPolarHBondContact O-CB 3.42Å; V406-R410 PolarHBondContact O-N 2.9Å; R407-R410 WeakPolarHBondContact O-CD 3.36Å; R407-R410 WeakPolarHBondContact O-CG 3.23Å; R407-R410 PolarHBondContact O-NE 2.73Å; R410-Q412 VanDerWaalsContact C-N 3.27Å; R410-F421 HydrophobicContact CG-CB 3.83Å; R410-F421 HydrophobicContact CG-CD1 4.15Å; R410-F421 HydrophobicContact CG-CG 3.99Å; R410-F421 WeakPolarHBondContact O-CB 3.49Å; R410-D424 IonicContact NH2-OD1 2.73Å; R410-D424 PolarHBondContact NH2-OD1 3.23Å; R410-D424 IonicContact NH2-OD2 2.65Å; R410-D424 PolarHBondContact NH2-OD2 3.43Å
411	G	93.4	Very high	96.9	Very high	15 Å²	15	26.5 Å²	26.5	16%	0.155	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-12	-170.6	0	0	0	0	0	114.6	Y202 L211	Y202-G411 PolarHBondContact OH-N 3.47Å; L211-G411 WeakPolarHBondContact CD1-O 3.26Å
412	Q	94.9	Very high	96.7	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.164	15%	0.149	C	C	.	.			trans	-91.1	140.7	164.4	-56.6	-171.8	-90.8	0	0	110.2	F200 Y202 K409 R410 M417 G419	F200-Q412 WeakPolarHBondContact CB-O 3.46Å; Y202-Q412 WeakPolarHBondContact CE2-O 3.41Å; Y202-Q412 PolarHBondContact OH-N 3.09Å; Y202-Q412 PolarHBondContact OH-O 3.49Å; K409-Q412 WeakPolarHBondContact O-CB 3.46Å; K409-Q412 PolarHBondContact O-N 2.85Å; K409-Q412 VanDerWaalsContact O-N 3.15Å; R410-Q412 VanDerWaalsContact C-N 3.27Å; Q412-M417 PolarHBondContact NE2-O 3.39Å; Q412-G419 VanDerWaalsContact OE1-C 3.3Å; Q412-G419 PolarHBondContact OE1-O 3.14Å; Q412-G419 VanDerWaalsContact OE1-O 3.04Å
413	T	96.3	Very high	96.5	Very high	83 Å²	83	28.6 Å²	28.6	51%	0.509	16%	0.161	S	C	.	.	S	Bend	trans	-84.4	-60.4	169.4	-72.5	0	0	0	0	111.2	Q199 F200 T415	Q199-T413 WeakPolarHBondContact CA-O 3.47Å; F200-T413 PolarHBondContact N-O 3.17Å; F200-T413 WeakPolarHBondContact O-CA 3.24Å; F200-T413 WeakPolarHBondContact O-CB 3.35Å; F200-T413 WeakPolarHBondContact O-CG2 3.49Å; F200-T413 PolarHBondContact O-OG1 2.98Å; T413-T415 PolarHBondContact O-N 3.07Å
414	N	97.4	Very high	96.4	Very high	66 Å²	66	25.5 Å²	25.5	35%	0.353	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-83	101.9	174.5	-177.3	3.1	0	0	0	110.7	Q199 A416 M417	Q199-N414 PolarHBondContact NE2-OD1 3.08Å; Q199-N414 VanDerWaalsContact OE1-CA 3.31Å; Q199-N414 PolarHBondContact OE1-OD1 3.29Å; N414-A416 VanDerWaalsContact C-N 3.26Å; N414-A416 PolarHBondContact O-N 3.01Å; N414-A416 WeakPolarHBondContact OD1-CB 3.47Å; N414-A416 PolarHBondContact OD1-N 3.46Å; N414-M417 PolarHBondContact O-N 2.86Å
415	T	98.2	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.4	-177.4	72.6	0	0	0	0	114.2	P198 F200 F384 K409 T413 M417	P198-T415 HydrophobicContact CB-CG2 4.46Å; P198-T415 WeakPolarHBondContact O-CB 3.28Å; P198-T415 VanDerWaalsContact O-CG2 3.28Å; P198-T415 WeakPolarHBondContact O-CG2 3.45Å; P198-T415 PolarHBondContact O-N 2.92Å; P198-T415 PolarHBondContact O-OG1 3.28Å; F200-T415 HydrophobicContact CD2-CG2 3.4Å; F200-T415 HydrophobicContact CE2-CG2 3.48Å; F200-T415 VanDerWaalsContact CE2-CG2 3.48Å; F200-T415 HydrophobicContact CG-CG2 4.04Å; F200-T415 HydrophobicContact CZ-CG2 4.17Å; F384-T415 WeakPolarHBondContact CB-OG1 3.46Å; F384-T415 HydrophobicContact CD2-CG2 4.28Å; F384-T415 PolarHBondContact N-O 3.49Å; K409-T415 HydrophobicContact CB-CG2 4.33Å; T413-T415 PolarHBondContact O-N 3.07Å; T415-M417 PolarHBondContact O-N 3.18Å
416	A	98.1	Very high	96.3	Very high	37 Å²	37	26.5 Å²	26.5	31%	0.306	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.8	169.3	0	0	0	0	0	111.9	N197 S383 N414	N197-A416 HydrophobicContact CB-CB 3.81Å; S383-A416 WeakPolarHBondContact CB-O 3.43Å; N414-A416 VanDerWaalsContact C-N 3.26Å; N414-A416 PolarHBondContact O-N 3.01Å; N414-A416 WeakPolarHBondContact OD1-CB 3.47Å; N414-A416 PolarHBondContact OD1-N 3.46Å
417	M	97.4	Very high	96.4	Very high	109 Å²	109	27.9 Å²	27.9	54%	0.537	16%	0.157	S	C	.	.	S	Bend	trans	-78.8	139.7	-179.7	-60.7	-56.1	-66.2	0	0	112.3	K409 Q412 N414 T415	K409-M417 PolarHBondContact NZ-O 3.14Å; Q412-M417 PolarHBondContact NE2-O 3.39Å; N414-M417 PolarHBondContact O-N 2.86Å; T415-M417 PolarHBondContact O-N 3.18Å
418	P	96.9	Very high	96.5	Very high	62 Å²	62	27.2 Å²	27.2	40%	0.403	15%	0.154	S	C	.	.			trans	-54	140.1	166.7	-26.2	35.6	0	0	0	111.9
419	G	96.7	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.			trans	153.7	155.6	-177.2	0	0	0	0	0	112.8	N215 A379 R380 K409 Q412	N215-G419 WeakPolarHBondContact OD1-CA 3.13Å; A379-G419 CarbonylContact C-O 3.4Å; A379-G419 CarbonylContact O-C 3.17Å; A379-G419 PolarHBondContact O-N 2.83Å; A379-G419 VanDerWaalsContact O-N 3.07Å; R380-G419 PolarHBondContact O-N 3.31Å; K409-G419 PolarHBondContact NZ-O 2.89Å; Q412-G419 VanDerWaalsContact OE1-C 3.3Å; Q412-G419 PolarHBondContact OE1-O 3.14Å; Q412-G419 VanDerWaalsContact OE1-O 3.04Å
420	C	97.3	Very high	96.6	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.047	17%	0.165	C	C	.	.			trans	-139.6	165.1	-177.4	66.8	0	0	0	0	112.7	N215 V376 A379 R380 A408	N215-C420 WeakPolarHBondContact CA-O 3.49Å; N215-C420 PolarHBondContact OD1-N 2.87Å; V376-C420 HydrophobicContact CG1-CB 4.26Å; A379-C420 HydrophobicContact CB-CB 4.09Å; R380-C420 HydrophobicContact CB-CB 4.13Å; A408-C420 CarbonylContact O-C 3.53Å; A408-C420 VanDerWaalsContact O-CA 3.25Å; A408-C420 WeakPolarHBondContact O-CA 3.49Å
421	F	96.4	Very high	96.8	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	16%	0.164	C	C	.	.			trans	-111.2	94.4	159.9	-170.4	-96.6	0	0	0	110	I177 F210 H214 A408 R410 K423	I177-F421 HydrophobicContact CD1-CD1 4.04Å; I177-F421 HydrophobicContact CD1-CD2 4.48Å; I177-F421 HydrophobicContact CD1-CE1 3.46Å; I177-F421 VanDerWaalsContact CD1-CE1 3.46Å; I177-F421 HydrophobicContact CD1-CE2 4Å; I177-F421 HydrophobicContact CD1-CZ 3.45Å; I177-F421 VanDerWaalsContact CD1-CZ 3.45Å; I177-F421 HydrophobicContact CG2-CE2 4.34Å; F210-F421 AromaticContact CE1-CE2 3.7Å; F210-F421 HydrophobicContact CE1-CE2 3.7Å; F210-F421 HydrophobicContact CE1-CZ 4.04Å; F210-F421 HydrophobicContact CZ-CE2 4.23Å; F210-F421 HydrophobicContact CZ-CZ 4.16Å; H214-F421 HydrophobicContact CB-CD2 3.59Å; H214-F421 HydrophobicContact CB-CE2 3.55Å; H214-F421 HydrophobicContact CB-CG 4.35Å; H214-F421 HydrophobicContact CB-CZ 4.3Å; H214-F421 AromaticContact CD2-CE2 3.82Å; H214-F421 AromaticContact CD2-CZ 3.72Å; H214-F421 AromaticContact CG-CE2 3.49Å; H214-F421 VanDerWaalsContact CG-CE2 3.49Å; H214-F421 AromaticContact CG-CZ 3.91Å; A408-F421 PolarHBondContact O-N 2.65Å; R410-F421 HydrophobicContact CG-CB 3.83Å; R410-F421 HydrophobicContact CG-CD1 4.15Å; R410-F421 HydrophobicContact CG-CG 3.99Å; R410-F421 WeakPolarHBondContact O-CB 3.49Å; F421-K423 VanDerWaalsContact C-N 3.29Å; F421-K423 HydrophobicContact CD1-CB 4.01Å; F421-K423 HydrophobicContact CE1-CB 3.5Å; F421-K423 VanDerWaalsContact CE1-CB 3.5Å; F421-K423 HydrophobicContact CZ-CB 4.29Å; F421-K423 PolarHBondContact O-N 3.44Å; F421-K423 VanDerWaalsContact O-N 3.16Å
422	S	95.1	Very high	97.1	Very high	19 Å²	19	28.5 Å²	28.5	13%	0.133	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-79.6	2.5	-159.6	64.3	0	0	0	0	117.2	H214 H216 D424 Q425	H214-S422 WeakPolarHBondContact O-CB 3.44Å; H214-S422 PolarHBondContact O-N 3.32Å; H214-S422 PolarHBondContact O-OG 3.28Å; H216-S422 WeakPolarHBondContact O-CB 3.4Å; H216-S422 PolarHBondContact O-OG 3.11Å; S422-D424 PolarHBondContact O-N 3.47Å; S422-Q425 PolarHBondContact O-N 3.47Å
423	K	92.6	Very high	97.2	Very high	60 Å²	60	28.2 Å²	28.2	26%	0.261	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-46.8	-39.2	-179.8	175.8	169.9	175.6	169.3	0	112.1	E350 F421 Q425 V426	E350-K423 WeakPolarHBondContact OE1-CE 3.41Å; E350-K423 IonicContact OE1-NZ 2.74Å; E350-K423 PolarHBondContact OE1-NZ 2.7Å; E350-K423 IonicContact OE2-NZ 3.92Å; F421-K423 VanDerWaalsContact C-N 3.29Å; F421-K423 HydrophobicContact CD1-CB 4.01Å; F421-K423 HydrophobicContact CE1-CB 3.5Å; F421-K423 VanDerWaalsContact CE1-CB 3.5Å; F421-K423 HydrophobicContact CZ-CB 4.29Å; F421-K423 PolarHBondContact O-N 3.44Å; F421-K423 VanDerWaalsContact O-N 3.16Å; K423-Q425 PolarHBondContact O-N 3.05Å; K423-V426 WeakPolarHBondContact O-CB 3.38Å; K423-V426 WeakPolarHBondContact O-CG1 3.33Å; K423-V426 PolarHBondContact O-N 2.92Å
424	D	95.2	Very high	97.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-73.3	-5.4	-172.5	-62.7	-5.2	0	0	0	114.7	L372 V376 R407 R410 S422 V426 Y427	L372-D424 HydrophobicContact CB-CB 4.18Å; L372-D424 HydrophobicContact CD1-CB 4.46Å; L372-D424 HydrophobicContact CD2-CB 4.12Å; L372-D424 HydrophobicContact CG-CB 4.48Å; V376-D424 HydrophobicContact CG2-CB 4.08Å; R407-D424 IonicContact CZ-OD1 2.73Å; R407-D424 IonicContact CZ-OD2 2.87Å; R407-D424 IonicContact NE-OD2 3.87Å; R407-D424 PolarHBondContact NE-OD2 3.19Å; R407-D424 IonicContact NH2-OD1 2.89Å; R407-D424 PolarHBondContact NH2-OD1 3.44Å; R407-D424 IonicContact NH2-OD2 2.86Å; R407-D424 PolarHBondContact NH2-OD2 3.24Å; R410-D424 IonicContact NH2-OD1 2.73Å; R410-D424 PolarHBondContact NH2-OD1 3.23Å; R410-D424 IonicContact NH2-OD2 2.65Å; R410-D424 PolarHBondContact NH2-OD2 3.43Å; S422-D424 PolarHBondContact O-N 3.47Å; D424-V426 VanDerWaalsContact C-N 3.3Å; D424-Y427 HydrophobicContact CB-CD2 4.21Å; D424-Y427 HydrophobicContact CB-CE2 4.13Å; D424-Y427 VanDerWaalsContact O-CD2 3.27Å; D424-Y427 WeakPolarHBondContact O-CD2 3.48Å
425	Q	97.2	Very high	97.4	Very high	10 Å²	10	21.1 Å²	21.1	5%	0.047	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-71.6	-24.5	170.5	-81.2	-170.6	-36	0	0	113.3	S218 Y373 V376 S422 K423 Y427 L428 E429	S218-Q425 PolarHBondContact O-NE2 3.41Å; Y373-Q425 HydrophobicContact CD2-CB 3.66Å; Y373-Q425 HydrophobicContact CD2-CG 3.51Å; Y373-Q425 HydrophobicContact CE2-CB 3.84Å; Y373-Q425 HydrophobicContact CE2-CG 3.81Å; Y373-Q425 HydrophobicContact CG-CG 3.93Å; Y373-Q425 PolarHBondContact O-NE2 3.42Å; V376-Q425 HydrophobicContact CB-CG 3.83Å; V376-Q425 HydrophobicContact CG1-CG 3.65Å; V376-Q425 HydrophobicContact CG2-CG 4.4Å; S422-Q425 PolarHBondContact O-N 3.47Å; K423-Q425 PolarHBondContact O-N 3.05Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.1Å; Q425-L428 PolarHBondContact O-N 3.12Å; Q425-E429 PolarHBondContact O-N 3.48Å
426	V	97.3	Very high	97.4	Very high	21 Å²	21	23.5 Å²	23.5	13%	0.127	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-25.4	-178.3	77.1	0	0	0	0	113	N346 P347 E350 K423 D424 G430	N346-V426 HydrophobicContact CB-CG2 4.37Å; P347-V426 HydrophobicContact CB-CG2 4.46Å; P347-V426 HydrophobicContact CG-CG2 4.4Å; E350-V426 HydrophobicContact CB-CG1 3.73Å; E350-V426 HydrophobicContact CB-CG2 4.42Å; E350-V426 HydrophobicContact CG-CG1 3.89Å; K423-V426 WeakPolarHBondContact O-CB 3.38Å; K423-V426 WeakPolarHBondContact O-CG1 3.33Å; K423-V426 PolarHBondContact O-N 2.92Å; D424-V426 VanDerWaalsContact C-N 3.3Å; V426-G430 PolarHBondContact O-N 2.92Å
427	Y	98.5	Very high	97.4	Very high	29 Å²	29	25.3 Å²	25.3	11%	0.114	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-56.1	179.9	-63.5	-57.5	0	0	0	111.5	E350 S354 L372 D424 Q425 I431	E350-Y427 HydrophobicContact CB-CD1 3.95Å; E350-Y427 HydrophobicContact CB-CE1 3.84Å; E350-Y427 HydrophobicContact CG-CE1 4.47Å; E350-Y427 WeakPolarHBondContact OE2-CE1 3.45Å; E350-Y427 PolarHBondContact OE2-OH 3.28Å; S354-Y427 VanDerWaalsContact OG-CD1 3.25Å; S354-Y427 WeakPolarHBondContact OG-CD1 3.48Å; L372-Y427 HydrophobicContact CD1-CD2 3.66Å; L372-Y427 HydrophobicContact CD1-CE2 4.11Å; D424-Y427 HydrophobicContact CB-CD2 4.21Å; D424-Y427 HydrophobicContact CB-CE2 4.13Å; D424-Y427 VanDerWaalsContact O-CD2 3.27Å; D424-Y427 WeakPolarHBondContact O-CD2 3.48Å; Q425-Y427 PolarHBondContact O-N 2.91Å; Q425-Y427 VanDerWaalsContact O-N 3.1Å; Y427-I431 VanDerWaalsContact O-CD1 3.29Å; Y427-I431 WeakPolarHBondContact O-CD1 3.28Å; Y427-I431 WeakPolarHBondContact O-CG1 3.42Å; Y427-I431 PolarHBondContact O-N 3.12Å; Y427-I431 VanDerWaalsContact O-N 3.07Å
428	L	98.8	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-44.6	179.3	-175.3	67.5	0	0	0	111.2	F221 A225 I228 A369 Y373 Q425 G430 I431 L432	F221-L428 HydrophobicContact CB-CD2 4.04Å; A225-L428 HydrophobicContact CB-CD2 3.76Å; I228-L428 HydrophobicContact CD1-CD1 4.06Å; A369-L428 HydrophobicContact CB-CB 4.09Å; A369-L428 HydrophobicContact CB-CD1 4.22Å; Y373-L428 HydrophobicContact CD1-CD2 4.28Å; Y373-L428 HydrophobicContact CD2-CB 3.97Å; Y373-L428 HydrophobicContact CD2-CD2 4.07Å; Y373-L428 HydrophobicContact CG-CB 4.28Å; Y373-L428 HydrophobicContact CG-CD2 3.8Å; Q425-L428 PolarHBondContact O-N 3.12Å; L428-G430 VanDerWaalsContact C-N 3.32Å; L428-G430 PolarHBondContact O-N 3.07Å; L428-I431 PolarHBondContact O-N 3.02Å; L428-L432 HydrophobicContact CD1-CD1 4.19Å; L428-L432 HydrophobicContact CD1-CD2 4.42Å; L428-L432 HydrophobicContact CD1-CG 4.15Å; L428-L432 HydrophobicContact CD2-CD1 4.37Å; L428-L432 HydrophobicContact CG-CD1 3.89Å; L428-L432 HydrophobicContact CG-CG 4.21Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.49Å
429	E	98.3	Very high	97.4	Very high	52 Å²	52	24.3 Å²	24.3	24%	0.243	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-47.2	177.8	169.9	164.7	-155.2	0	0	111.9	F221 Q425 L432 Q433	F221-E429 HydrophobicContact CD2-CB 4.14Å; F221-E429 HydrophobicContact CE2-CB 3.91Å; F221-E429 HydrophobicContact CE2-CG 3.85Å; Q425-E429 PolarHBondContact O-N 3.48Å; E429-L432 PolarHBondContact O-N 2.9Å; E429-Q433 VanDerWaalsContact CG-NE2 3.26Å; E429-Q433 WeakPolarHBondContact O-CB 3.45Å; E429-Q433 VanDerWaalsContact O-CG 3.26Å; E429-Q433 WeakPolarHBondContact O-CG 3.47Å; E429-Q433 PolarHBondContact O-N 3.03Å; E429-Q433 PolarHBondContact OE1-NE2 3.26Å
430	G	98.5	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-39.7	177.2	0	0	0	0	0	113.9	P347 V426 L428 I434	P347-G430 WeakPolarHBondContact O-CA 3.37Å; V426-G430 PolarHBondContact O-N 2.92Å; L428-G430 VanDerWaalsContact C-N 3.32Å; L428-G430 PolarHBondContact O-N 3.07Å; G430-I434 WeakPolarHBondContact O-CG1 3.5Å; G430-I434 PolarHBondContact O-N 3.41Å
431	I	98.8	Very high	97.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-52.1	173.8	-69.8	157.3	0	0	0	110.2	I355 L366 A369 Y427 L428 Q433 I434 L435	I355-I431 HydrophobicContact CD1-CG2 4.46Å; I355-I431 HydrophobicContact CG1-CB 4.38Å; I355-I431 HydrophobicContact CG1-CG1 4.03Å; I355-I431 HydrophobicContact CG1-CG2 4.08Å; L366-I431 HydrophobicContact CD1-CG2 3.74Å; L366-I431 HydrophobicContact CD2-CD1 3.9Å; L366-I431 HydrophobicContact CD2-CG2 4.06Å; A369-I431 HydrophobicContact CB-CD1 3.43Å; A369-I431 VanDerWaalsContact CB-CD1 3.43Å; Y427-I431 VanDerWaalsContact O-CD1 3.29Å; Y427-I431 WeakPolarHBondContact O-CD1 3.28Å; Y427-I431 WeakPolarHBondContact O-CG1 3.42Å; Y427-I431 PolarHBondContact O-N 3.12Å; Y427-I431 VanDerWaalsContact O-N 3.07Å; L428-I431 PolarHBondContact O-N 3.02Å; I431-Q433 VanDerWaalsContact C-N 3.34Å; I431-Q433 PolarHBondContact O-N 2.81Å; I431-I434 PolarHBondContact O-N 2.84Å; I431-L435 HydrophobicContact CG2-CD1 3.61Å; I431-L435 HydrophobicContact CG2-CG 4.17Å; I431-L435 WeakPolarHBondContact O-CB 3.39Å; I431-L435 WeakPolarHBondContact O-CG 3.37Å; I431-L435 PolarHBondContact O-N 2.85Å
432	L	98.8	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-38.6	-175.7	-61.3	177.3	0	0	0	111.2	F221 Q224 L428 E429 R436 L494 L499 I503	F221-L432 HydrophobicContact CB-CD1 3.82Å; F221-L432 HydrophobicContact CD1-CD1 3.49Å; F221-L432 VanDerWaalsContact CD1-CD1 3.49Å; F221-L432 HydrophobicContact CD2-CD1 4.39Å; F221-L432 HydrophobicContact CE1-CD1 4.13Å; F221-L432 HydrophobicContact CG-CD1 3.64Å; Q224-L432 HydrophobicContact CB-CD1 4.33Å; L428-L432 HydrophobicContact CD1-CD1 4.19Å; L428-L432 HydrophobicContact CD1-CD2 4.42Å; L428-L432 HydrophobicContact CD1-CG 4.15Å; L428-L432 HydrophobicContact CD2-CD1 4.37Å; L428-L432 HydrophobicContact CG-CD1 3.89Å; L428-L432 HydrophobicContact CG-CG 4.21Å; L428-L432 WeakPolarHBondContact O-CG 3.44Å; L428-L432 PolarHBondContact O-N 3.49Å; E429-L432 PolarHBondContact O-N 2.9Å; L432-R436 WeakPolarHBondContact O-CB 2.95Å; L432-R436 PolarHBondContact O-N 3.27Å; L432-L494 HydrophobicContact CD2-CD1 3.58Å; L432-L494 HydrophobicContact CD2-CD2 3.9Å; L432-L494 HydrophobicContact CD2-CG 4.4Å; L432-L499 HydrophobicContact CB-CD2 4.12Å; L432-L499 HydrophobicContact CD2-CD2 3.94Å; L432-I503 HydrophobicContact CB-CD1 4.01Å; L432-I503 VanDerWaalsContact O-CD1 3.31Å; L432-I503 WeakPolarHBondContact O-CD1 3.35Å
433	Q	98.3	Very high	97.6	Very high	29 Å²	29	36.2 Å²	36.2	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-44.3	172.4	-74	173.4	13.4	0	0	112.8	E429 I431 R436 Y437 F454 I503	E429-Q433 VanDerWaalsContact CG-NE2 3.26Å; E429-Q433 WeakPolarHBondContact O-CB 3.45Å; E429-Q433 VanDerWaalsContact O-CG 3.26Å; E429-Q433 WeakPolarHBondContact O-CG 3.47Å; E429-Q433 PolarHBondContact O-N 3.03Å; E429-Q433 PolarHBondContact OE1-NE2 3.26Å; I431-Q433 VanDerWaalsContact C-N 3.34Å; I431-Q433 PolarHBondContact O-N 2.81Å; Q433-R436 WeakPolarHBondContact O-CB 3.27Å; Q433-R436 PolarHBondContact O-N 2.81Å; Q433-Y437 VanDerWaalsContact O-CD2 3.25Å; Q433-Y437 WeakPolarHBondContact O-CD2 3.41Å; Q433-Y437 PolarHBondContact O-N 3.4Å; Q433-F454 HydrophobicContact CB-CE1 4.08Å; Q433-F454 HydrophobicContact CB-CZ 4.41Å; Q433-I503 HydrophobicContact CG-CG2 4.3Å
434	I	98.6	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-42.9	179.8	-68.6	164.5	0	0	0	111.1	L352 I355 G430 I431 R436 Y437 R438 I441 F443 F454	L352-I434 HydrophobicContact CB-CD1 3.74Å; I355-I434 HydrophobicContact CD1-CB 3.74Å; I355-I434 HydrophobicContact CD1-CD1 4.38Å; I355-I434 HydrophobicContact CD1-CG2 3.5Å; I355-I434 VanDerWaalsContact CD1-CG2 3.5Å; G430-I434 WeakPolarHBondContact O-CG1 3.5Å; G430-I434 PolarHBondContact O-N 3.41Å; I431-I434 PolarHBondContact O-N 2.84Å; I434-R436 VanDerWaalsContact C-N 3.29Å; I434-R436 PolarHBondContact O-N 3.16Å; I434-Y437 CarbonylContact O-C 3.52Å; I434-Y437 PolarHBondContact O-N 2.74Å; I434-R438 WeakPolarHBondContact O-CA 3.32Å; I434-R438 PolarHBondContact O-N 3.23Å; I434-I441 HydrophobicContact CG2-CD1 4.16Å; I434-F443 HydrophobicContact CG2-CE1 3.64Å; I434-F443 HydrophobicContact CG2-CZ 3.71Å; I434-F454 HydrophobicContact CG1-CD1 4.28Å
435	L	98.7	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-37	176.5	-68.1	176.3	0	0	0	111.8	I355 I431 Y437 R438 L485 I488 M489 L494 L499	I355-L435 HydrophobicContact CD1-CD2 4.23Å; I355-L435 HydrophobicContact CD1-CG 4.23Å; I431-L435 HydrophobicContact CG2-CD1 3.61Å; I431-L435 HydrophobicContact CG2-CG 4.17Å; I431-L435 WeakPolarHBondContact O-CB 3.39Å; I431-L435 WeakPolarHBondContact O-CG 3.37Å; I431-L435 PolarHBondContact O-N 2.85Å; L435-Y437 VanDerWaalsContact C-N 3.27Å; L435-Y437 PolarHBondContact O-N 3.24Å; L435-R438 WeakPolarHBondContact O-CD 3.46Å; L435-R438 WeakPolarHBondContact O-CG 3.3Å; L435-R438 PolarHBondContact O-N 2.89Å; L435-R438 PolarHBondContact O-NH1 3.07Å; L435-L485 HydrophobicContact CD2-CB 4.26Å; L435-L485 HydrophobicContact CD2-CD2 4.37Å; L435-I488 HydrophobicContact CD1-CG2 3.79Å; L435-I488 HydrophobicContact CD2-CG2 4.35Å; L435-M489 HydrophobicContact CB-CG 4.23Å; L435-M489 HydrophobicContact CB-SD 4.07Å; L435-M489 HydrophobicContact CD1-CG 3.97Å; L435-M489 HydrophobicContact CD2-CG 4.14Å; L435-M489 HydrophobicContact CD2-SD 4.49Å; L435-M489 HydrophobicContact CG-CG 4.34Å; L435-L494 HydrophobicContact CD1-CD1 3.91Å; L435-L499 HydrophobicContact CB-CD1 4.2Å
436	R	98.4	Very high	97.9	Very high	50 Å²	50	35.2 Å²	35.2	19%	0.189	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-35.3	175.3	171.1	62.9	-158.8	117.6	-15.7	113.6	L432 Q433 I434 D496 L499 I503	L432-R436 WeakPolarHBondContact O-CB 2.95Å; L432-R436 PolarHBondContact O-N 3.27Å; Q433-R436 WeakPolarHBondContact O-CB 3.27Å; Q433-R436 PolarHBondContact O-N 2.81Å; I434-R436 VanDerWaalsContact C-N 3.29Å; I434-R436 PolarHBondContact O-N 3.16Å; R436-D496 IonicContact NH1-OD1 2.7Å; R436-L499 HydrophobicContact CB-CB 4.13Å; R436-L499 HydrophobicContact CB-CD1 4.38Å; R436-L499 HydrophobicContact CG-CB 4.42Å; R436-I503 HydrophobicContact CB-CD1 3.7Å; R436-I503 HydrophobicContact CG-CB 4.12Å; R436-I503 HydrophobicContact CG-CD1 4.1Å; R436-I503 HydrophobicContact CG-CG2 4.06Å
437	Y	98.1	Very high	98	Very high	76 Å²	76	34.2 Å²	34.2	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-113.5	10.3	-175.6	-62.9	-69.2	0	0	0	113.4	Q433 I434 L435 D439 K440 I441 F454 I503	Q433-Y437 VanDerWaalsContact O-CD2 3.25Å; Q433-Y437 WeakPolarHBondContact O-CD2 3.41Å; Q433-Y437 PolarHBondContact O-N 3.4Å; I434-Y437 CarbonylContact O-C 3.52Å; I434-Y437 PolarHBondContact O-N 2.74Å; L435-Y437 VanDerWaalsContact C-N 3.27Å; L435-Y437 PolarHBondContact O-N 3.24Å; Y437-D439 VanDerWaalsContact C-N 3.28Å; Y437-D439 PolarHBondContact O-N 2.81Å; Y437-D439 VanDerWaalsContact O-N 3.12Å; Y437-K440 WeakPolarHBondContact O-CA 3.4Å; Y437-K440 WeakPolarHBondContact O-CB 3.38Å; Y437-K440 PolarHBondContact O-N 3.06Å; Y437-I441 WeakPolarHBondContact O-CG1 3.38Å; Y437-I441 PolarHBondContact O-N 3.31Å; Y437-I441 VanDerWaalsContact O-N 3.16Å; Y437-F454 HydrophobicContact CD2-CD2 4.47Å; Y437-F454 AromaticContact CD2-CE2 3.36Å; Y437-F454 HydrophobicContact CD2-CE2 3.36Å; Y437-F454 AromaticContact CD2-CZ 3.44Å; Y437-F454 HydrophobicContact CD2-CZ 3.44Å; Y437-F454 VanDerWaalsContact CD2-CZ 3.44Å; Y437-F454 AromaticContact CE2-CE2 3.97Å; Y437-F454 HydrophobicContact CE2-CE2 3.97Å; Y437-F454 AromaticContact CE2-CZ 3.85Å; Y437-F454 HydrophobicContact CE2-CZ 3.85Å; Y437-F454 AromaticContact CG-CE2 3.89Å; Y437-F454 HydrophobicContact CG-CE2 3.89Å; Y437-F454 HydrophobicContact CG-CZ 4.39Å; Y437-I503 HydrophobicContact CE2-CG2 3.99Å
438	R	97.9	Very high	97.9	Very high	31 Å²	31	32.8 Å²	32.8	12%	0.117	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-49.2	-44.2	-171.2	69.3	-167.2	-178.2	-80.2	-4.3	113.5	I434 L435 K440 I441 F443 L485 M489 D496	I434-R438 WeakPolarHBondContact O-CA 3.32Å; I434-R438 PolarHBondContact O-N 3.23Å; L435-R438 WeakPolarHBondContact O-CD 3.46Å; L435-R438 WeakPolarHBondContact O-CG 3.3Å; L435-R438 PolarHBondContact O-N 2.89Å; L435-R438 PolarHBondContact O-NH1 3.07Å; R438-K440 PolarHBondContact O-N 3.23Å; R438-K440 VanDerWaalsContact O-N 3.13Å; R438-I441 PolarHBondContact O-N 3.24Å; R438-F443 HydrophobicContact CB-CE2 4.39Å; R438-F443 HydrophobicContact CB-CZ 4.39Å; R438-F443 WeakPolarHBondContact O-CE2 3.42Å; R438-L485 HydrophobicContact CB-CD1 3.81Å; R438-M489 PolarHBondContact NH1-SD 2.95Å; R438-D496 IonicContact CZ-OD1 3.24Å; R438-D496 IonicContact CZ-OD2 3.82Å; R438-D496 IonicContact NH1-OD1 3.13Å; R438-D496 PolarHBondContact NH1-OD1 3.25Å; R438-D496 IonicContact NH1-OD2 2.72Å; R438-D496 PolarHBondContact NH1-OD2 2.83Å; R438-D496 IonicContact NH2-OD1 2.7Å; R438-D496 IonicContact NH2-OD2 3.45Å; R438-D496 PolarHBondContact NH2-OD2 3.03Å
439	D	96.1	Very high	97.9	Very high	118 Å²	118	32.8 Å²	32.8	63%	0.631	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-75.9	-1.1	-175.7	-33.7	-81.7	0	0	0	112.8	Y437	Y437-D439 VanDerWaalsContact C-N 3.28Å; Y437-D439 PolarHBondContact O-N 2.81Å; Y437-D439 VanDerWaalsContact O-N 3.12Å
440	K	96.5	Very high	97.9	Very high	168 Å²	168	30.3 Å²	30.3	73%	0.73	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-116.1	-13.7	175.5	-56.1	-171	178.7	-168.1	0	113.2	Y437 R438	Y437-K440 WeakPolarHBondContact O-CA 3.4Å; Y437-K440 WeakPolarHBondContact O-CB 3.38Å; Y437-K440 PolarHBondContact O-N 3.06Å; R438-K440 PolarHBondContact O-N 3.23Å; R438-K440 VanDerWaalsContact O-N 3.13Å
441	I	97.5	Very high	97.8	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.092	15%	0.152	C	C	.	.			trans	-86.9	114.3	-177.7	-67.2	167.7	0	0	0	108.8	I434 Y437 R438 F443 L446 F454	I434-I441 HydrophobicContact CG2-CD1 4.16Å; Y437-I441 WeakPolarHBondContact O-CG1 3.38Å; Y437-I441 PolarHBondContact O-N 3.31Å; Y437-I441 VanDerWaalsContact O-N 3.16Å; R438-I441 PolarHBondContact O-N 3.24Å; I441-F443 VanDerWaalsContact C-N 3.29Å; I441-F443 HydrophobicContact CB-CD2 4.19Å; I441-F443 HydrophobicContact CB-CE1 4.41Å; I441-F443 HydrophobicContact CB-CE2 3.85Å; I441-F443 HydrophobicContact CB-CZ 3.96Å; I441-F443 HydrophobicContact CD1-CZ 4.29Å; I441-F443 HydrophobicContact CG2-CD1 3.84Å; I441-F443 HydrophobicContact CG2-CD2 3.96Å; I441-F443 HydrophobicContact CG2-CE1 3.84Å; I441-F443 HydrophobicContact CG2-CE2 3.97Å; I441-F443 HydrophobicContact CG2-CG 3.9Å; I441-F443 HydrophobicContact CG2-CZ 3.91Å; I441-F443 WeakPolarHBondContact O-CD2 3.31Å; I441-F443 PolarHBondContact O-N 3.46Å; I441-L446 HydrophobicContact CG2-CB 4.38Å; I441-L446 HydrophobicContact CG2-CD2 3.69Å; I441-F454 HydrophobicContact CD1-CB 3.86Å; I441-F454 HydrophobicContact CD1-CD1 4.4Å; I441-F454 HydrophobicContact CD1-CD2 3.82Å; I441-F454 HydrophobicContact CD1-CG 3.77Å; I441-F454 HydrophobicContact CG1-CB 4.05Å; I441-F454 HydrophobicContact CG1-CD2 4Å; I441-F454 HydrophobicContact CG1-CG 4.23Å; I441-F454 HydrophobicContact CG2-CB 4.48Å
442	N	96.9	Very high	97.8	Very high	80 Å²	80	32.6 Å²	32.6	43%	0.428	15%	0.151	S	C	.	.			trans	-70.2	88.5	164.4	-174.7	-33.7	0	0	0	108.9	P444 M445 L446	N442-P444 WeakPolarHBondContact OD1-CD 3.25Å; N442-M445 HydrophobicContact CB-CB 4.01Å; N442-M445 VanDerWaalsContact CG-CB 3.45Å; N442-M445 PolarHBondContact O-N 3.23Å; N442-M445 VanDerWaalsContact OD1-CB 3.24Å; N442-M445 WeakPolarHBondContact OD1-CB 3.37Å; N442-M445 PolarHBondContact OD1-N 3.49Å; N442-L446 WeakPolarHBondContact O-CB 3.36Å; N442-L446 PolarHBondContact O-N 3.32Å
443	F	98	Very high	97.7	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-43.5	-176.8	-73.6	-83.7	0	0	0	114	L352 I434 R438 I441 M445 L446 M447 M475 Y481 L485	L352-F443 HydrophobicContact CD1-CD1 4.01Å; L352-F443 HydrophobicContact CD1-CE1 3.95Å; I434-F443 HydrophobicContact CG2-CE1 3.64Å; I434-F443 HydrophobicContact CG2-CZ 3.71Å; R438-F443 HydrophobicContact CB-CE2 4.39Å; R438-F443 HydrophobicContact CB-CZ 4.39Å; R438-F443 WeakPolarHBondContact O-CE2 3.42Å; I441-F443 VanDerWaalsContact C-N 3.29Å; I441-F443 HydrophobicContact CB-CD2 4.19Å; I441-F443 HydrophobicContact CB-CE1 4.41Å; I441-F443 HydrophobicContact CB-CE2 3.85Å; I441-F443 HydrophobicContact CB-CZ 3.96Å; I441-F443 HydrophobicContact CD1-CZ 4.29Å; I441-F443 HydrophobicContact CG2-CD1 3.84Å; I441-F443 HydrophobicContact CG2-CD2 3.96Å; I441-F443 HydrophobicContact CG2-CE1 3.84Å; I441-F443 HydrophobicContact CG2-CE2 3.97Å; I441-F443 HydrophobicContact CG2-CG 3.9Å; I441-F443 HydrophobicContact CG2-CZ 3.91Å; I441-F443 WeakPolarHBondContact O-CD2 3.31Å; I441-F443 PolarHBondContact O-N 3.46Å; F443-M445 VanDerWaalsContact C-N 3.34Å; F443-M445 PolarHBondContact O-N 3.26Å; F443-L446 PolarHBondContact O-N 3.19Å; F443-M447 PolarHBondContact O-N 3.49Å; F443-M475 HydrophobicContact CB-CE 4.27Å; F443-M475 HydrophobicContact CB-SD 3.88Å; F443-Y481 HydrophobicContact CB-CE1 4Å; F443-Y481 AromaticContact CD1-CE1 3.73Å; F443-Y481 HydrophobicContact CD1-CE1 3.73Å; F443-Y481 AromaticContact CD1-CZ 3.9Å; F443-Y481 WeakPolarHBondContact CD1-OH 3.32Å; F443-Y481 HydrophobicContact CD2-CD1 4.3Å; F443-Y481 AromaticContact CD2-CE1 3.64Å; F443-Y481 HydrophobicContact CD2-CE1 3.64Å; F443-Y481 HydrophobicContact CE1-CE1 4.06Å; F443-Y481 WeakPolarHBondContact CE1-OH 3.39Å; F443-Y481 AromaticContact CE2-CE1 3.97Å; F443-Y481 HydrophobicContact CE2-CE1 3.97Å; F443-Y481 HydrophobicContact CG-CD1 4.38Å; F443-Y481 AromaticContact CG-CE1 3.51Å; F443-Y481 HydrophobicContact CG-CE1 3.51Å; F443-Y481 HydrophobicContact CZ-CE1 4.18Å; F443-L485 HydrophobicContact CE1-CD1 4.36Å; F443-L485 HydrophobicContact CE2-CD1 3.59Å; F443-L485 HydrophobicContact CZ-CD1 3.51Å
444	P	97	Very high	97.7	Very high	21 Å²	21	32.4 Å²	32.4	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-46.3	172.1	-28.3	35.8	0	0	0	113.2	N442 M447 A448 I471 Q478	N442-P444 WeakPolarHBondContact OD1-CD 3.25Å; P444-M447 PolarHBondContact O-N 3.18Å; P444-A448 PolarHBondContact O-N 3.31Å; P444-I471 HydrophobicContact CB-CD1 4.08Å; P444-Q478 HydrophobicContact CG-CG 3.96Å
445	M	97.6	Very high	97.7	Very high	30 Å²	30	37 Å²	37	15%	0.148	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-42.8	177.9	-172.8	56.5	64.4	0	0	111.5	N442 F443 M447 A448 L449 V457 T461 M466	N442-M445 HydrophobicContact CB-CB 4.01Å; N442-M445 VanDerWaalsContact CG-CB 3.45Å; N442-M445 PolarHBondContact O-N 3.23Å; N442-M445 VanDerWaalsContact OD1-CB 3.24Å; N442-M445 WeakPolarHBondContact OD1-CB 3.37Å; N442-M445 PolarHBondContact OD1-N 3.49Å; F443-M445 VanDerWaalsContact C-N 3.34Å; F443-M445 PolarHBondContact O-N 3.26Å; M445-M447 PolarHBondContact O-N 3.06Å; M445-A448 PolarHBondContact O-N 2.92Å; M445-A448 HydrophobicContact SD-CB 4.44Å; M445-L449 HydrophobicContact CG-CD1 3.84Å; M445-L449 HydrophobicContact CG-CG 4.06Å; M445-L449 WeakPolarHBondContact O-CB 3.3Å; M445-L449 VanDerWaalsContact O-CG 3.24Å; M445-L449 WeakPolarHBondContact O-CG 3.47Å; M445-L449 PolarHBondContact O-N 3.47Å; M445-L449 HydrophobicContact SD-CD1 4.33Å; M445-L449 HydrophobicContact SD-CD2 4.12Å; M445-L449 HydrophobicContact SD-CG 3.96Å; M445-V457 HydrophobicContact CB-CG1 4.19Å; M445-V457 HydrophobicContact CG-CG1 3.89Å; M445-T461 HydrophobicContact CE-CG2 3.83Å; M445-T461 HydrophobicContact CG-CG2 4.3Å; M445-T461 VanDerWaalsContact CG-OG1 3.31Å; M445-T461 WeakPolarHBondContact CG-OG1 3.2Å; M445-T461 HydrophobicContact SD-CG2 4.09Å; M445-M466 HydrophobicContact CE-CE 3.76Å; M445-M466 HydrophobicContact CE-SD 4.16Å; M445-M466 HydrophobicContact SD-CE 4.12Å; M445-M466 HydrophobicContact SD-SD 3.99Å
446	L	98.1	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-35.9	173.8	174.2	56.4	0	0	0	111.9	R322 T348 L352 I441 N442 F443 V452 F454 V457	R322-L446 PolarHBondContact NH1-O 3.4Å; T348-L446 HydrophobicContact CG2-CD1 3.96Å; T348-L446 HydrophobicContact CG2-CD2 4.01Å; L352-L446 HydrophobicContact CD2-CD2 4.26Å; I441-L446 HydrophobicContact CG2-CB 4.38Å; I441-L446 HydrophobicContact CG2-CD2 3.69Å; N442-L446 WeakPolarHBondContact O-CB 3.36Å; N442-L446 PolarHBondContact O-N 3.32Å; F443-L446 PolarHBondContact O-N 3.19Å; L446-V452 HydrophobicContact CD1-CG2 3.97Å; L446-F454 HydrophobicContact CD1-CB 4.46Å; L446-F454 HydrophobicContact CD2-CB 3.96Å; L446-V457 HydrophobicContact CB-CG2 3.97Å; L446-V457 HydrophobicContact CD1-CG2 3.81Å; L446-V457 HydrophobicContact CG-CG2 4.41Å
447	M	97.8	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71.6	-44	172.5	-71.8	-59.4	-71.8	0	0	112.8	G317 R322 N325 L352 F443 P444 M445 L449 G450 P472 M475	G317-M447 WeakPolarHBondContact O-CE 3.43Å; R322-M447 HydrophobicContact CG-CE 3.61Å; R322-M447 HydrophobicContact CG-SD 3.52Å; R322-M447 VanDerWaalsContact CG-SD 3.52Å; N325-M447 PolarHBondContact ND2-O 3.09Å; L352-M447 HydrophobicContact CD2-SD 3.81Å; F443-M447 PolarHBondContact O-N 3.49Å; P444-M447 PolarHBondContact O-N 3.18Å; M445-M447 PolarHBondContact O-N 3.06Å; M447-L449 PolarHBondContact O-N 2.95Å; M447-G450 PolarHBondContact O-N 3.12Å; M447-P472 HydrophobicContact CE-CG 3.74Å; M447-M475 HydrophobicContact CB-SD 4.34Å; M447-M475 HydrophobicContact CG-CE 3.71Å; M447-M475 HydrophobicContact CG-SD 3.4Å; M447-M475 WeakPolarHBondContact CG-SD 3.45Å; M447-M475 HydrophobicContact SD-CE 4.28Å
448	A	97.8	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-35.9	178.9	0	0	0	0	0	113.5	N325 Q329 P444 M445 G450 M466 V469	N325-A448 WeakPolarHBondContact CB-O 3.45Å; Q329-A448 PolarHBondContact NE2-O 3.13Å; P444-A448 PolarHBondContact O-N 3.31Å; M445-A448 PolarHBondContact O-N 2.92Å; M445-A448 HydrophobicContact SD-CB 4.44Å; A448-G450 PolarHBondContact O-N 3.3Å; A448-M466 HydrophobicContact CB-CE 3.71Å; A448-M466 HydrophobicContact CB-SD 3.97Å; A448-V469 HydrophobicContact CB-CB 4.1Å; A448-V469 HydrophobicContact CB-CG1 4.18Å; A448-V469 HydrophobicContact CB-CG2 4.02Å
449	L	98	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-7.8	176.5	-63	171.5	0	0	0	113.6	W331 M445 M447 V452 V457 L460 A464	W331-L449 HydrophobicContact CH2-CD2 3.67Å; W331-L449 HydrophobicContact CZ2-CB 4.06Å; W331-L449 HydrophobicContact CZ2-CD2 3.46Å; W331-L449 VanDerWaalsContact CZ2-CD2 3.46Å; W331-L449 HydrophobicContact CZ2-CG 4.33Å; W331-L449 PolarHBondContact NE1-O 3.07Å; M445-L449 HydrophobicContact CG-CD1 3.84Å; M445-L449 HydrophobicContact CG-CG 4.06Å; M445-L449 WeakPolarHBondContact O-CB 3.3Å; M445-L449 VanDerWaalsContact O-CG 3.24Å; M445-L449 WeakPolarHBondContact O-CG 3.47Å; M445-L449 PolarHBondContact O-N 3.47Å; M445-L449 HydrophobicContact SD-CD1 4.33Å; M445-L449 HydrophobicContact SD-CD2 4.12Å; M445-L449 HydrophobicContact SD-CG 3.96Å; M447-L449 PolarHBondContact O-N 2.95Å; L449-V452 HydrophobicContact CB-CG1 4.48Å; L449-V452 HydrophobicContact CB-CG2 3.78Å; L449-V452 HydrophobicContact CD1-CG2 4.4Å; L449-V457 HydrophobicContact CD1-CB 4.06Å; L449-V457 HydrophobicContact CD1-CG1 3.9Å; L449-V457 HydrophobicContact CD1-CG2 4.05Å; L449-L460 HydrophobicContact CD1-CB 4.21Å; L449-L460 HydrophobicContact CD2-CB 4.05Å; L449-A464 HydrophobicContact CD2-CB 3.56Å
450	G	97.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.			trans	70.7	-138.6	179.1	0	0	0	0	0	113.4	R322 M447 A448 V452	R322-G450 PolarHBondContact NH1-O 3.12Å; R322-G450 PolarHBondContact NH2-O 3.33Å; R322-G450 VanDerWaalsContact O-CA 3.26Å; R322-G450 WeakPolarHBondContact O-CA 3.49Å; M447-G450 PolarHBondContact O-N 3.12Å; A448-G450 PolarHBondContact O-N 3.3Å; G450-V452 VanDerWaalsContact C-N 3.29Å; G450-V452 PolarHBondContact O-N 2.95Å
451	K	97.3	Very high	97.5	Very high	48 Å²	48	30.5 Å²	30.5	21%	0.209	15%	0.15	C	C	.	.	S	Bend	trans	-83.9	65.3	-167.2	-57.6	-158.3	-175	-119.9	0	112.7	H319 R322 G323 N326 R337 L345 E349	H319-K451 WeakPolarHBondContact O-CE 3.45Å; H319-K451 PolarHBondContact O-NZ 3.46Å; R322-K451 HydrophobicContact CB-CG 4.09Å; G323-K451 VanDerWaalsContact CA-CE 3.46Å; N326-K451 HydrophobicContact CB-CB 4.32Å; N326-K451 HydrophobicContact CB-CG 4.11Å; N326-K451 PolarHBondContact OD1-N 3.47Å; R337-K451 PolarHBondContact NH1-O 2.96Å; R337-K451 PolarHBondContact NH2-O 3.12Å; L345-K451 WeakPolarHBondContact CB-O 3.29Å; L345-K451 HydrophobicContact CD1-CB 4.29Å; L345-K451 HydrophobicContact CD2-CB 4.17Å; L345-K451 WeakPolarHBondContact CD2-O 3.31Å; E349-K451 IonicContact OE1-NZ 2.71Å; E349-K451 PolarHBondContact OE1-NZ 3.04Å
452	V	98.1	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-112.6	164.2	178	-58.8	0	0	0	0	111.5	R322 W331 L342 L446 L449 G450 L460	R322-V452 PolarHBondContact NH2-O 3.42Å; W331-V452 HydrophobicContact CG-CG1 4.48Å; W331-V452 VanDerWaalsContact NE1-CG1 3.26Å; L342-V452 HydrophobicContact CD1-CG1 4.07Å; L446-V452 HydrophobicContact CD1-CG2 3.97Å; L449-V452 HydrophobicContact CB-CG1 4.48Å; L449-V452 HydrophobicContact CB-CG2 3.78Å; L449-V452 HydrophobicContact CD1-CG2 4.4Å; G450-V452 VanDerWaalsContact C-N 3.29Å; G450-V452 PolarHBondContact O-N 2.95Å; V452-L460 HydrophobicContact CB-CD1 4.14Å; V452-L460 HydrophobicContact CG1-CD1 3.64Å
453	S	98.1	Very high	97.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	18%	0.181	C	C	.	.			trans	-69.2	148.4	164.8	179.5	0	0	0	0	109.4	T348 E455 D456	T348-S453 WeakPolarHBondContact OG1-CA 3.21Å; S453-E455 PolarHBondContact O-N 3.17Å; S453-E455 WeakPolarHBondContact OG-CG 3.32Å; S453-E455 PolarHBondContact OG-N 3.28Å; S453-E455 PolarHBondContact OG-OE2 3.07Å; S453-D456 PolarHBondContact O-N 3.28Å; S453-D456 VanDerWaalsContact O-N 3.11Å
454	F	97.8	Very high	97.4	Very high	23 Å²	23	35.6 Å²	35.6	10%	0.101	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.8	-27.5	171	69.6	-98.4	0	0	0	111.7	T348 Q433 I434 Y437 I441 L446 D456 V457	T348-F454 HydrophobicContact CG2-CB 4.07Å; T348-F454 HydrophobicContact CG2-CD1 4.24Å; T348-F454 VanDerWaalsContact OG1-CD1 3.31Å; T348-F454 WeakPolarHBondContact OG1-CD1 3.32Å; T348-F454 PolarHBondContact OG1-N 3.34Å; T348-F454 VanDerWaalsContact OG1-N 3.12Å; Q433-F454 HydrophobicContact CB-CE1 4.08Å; Q433-F454 HydrophobicContact CB-CZ 4.41Å; I434-F454 HydrophobicContact CG1-CD1 4.28Å; Y437-F454 HydrophobicContact CD2-CD2 4.47Å; Y437-F454 AromaticContact CD2-CE2 3.36Å; Y437-F454 HydrophobicContact CD2-CE2 3.36Å; Y437-F454 AromaticContact CD2-CZ 3.44Å; Y437-F454 HydrophobicContact CD2-CZ 3.44Å; Y437-F454 VanDerWaalsContact CD2-CZ 3.44Å; Y437-F454 AromaticContact CE2-CE2 3.97Å; Y437-F454 HydrophobicContact CE2-CE2 3.97Å; Y437-F454 AromaticContact CE2-CZ 3.85Å; Y437-F454 HydrophobicContact CE2-CZ 3.85Å; Y437-F454 AromaticContact CG-CE2 3.89Å; Y437-F454 HydrophobicContact CG-CE2 3.89Å; Y437-F454 HydrophobicContact CG-CZ 4.39Å; I441-F454 HydrophobicContact CD1-CB 3.86Å; I441-F454 HydrophobicContact CD1-CD1 4.4Å; I441-F454 HydrophobicContact CD1-CD2 3.82Å; I441-F454 HydrophobicContact CD1-CG 3.77Å; I441-F454 HydrophobicContact CG1-CB 4.05Å; I441-F454 HydrophobicContact CG1-CD2 4Å; I441-F454 HydrophobicContact CG1-CG 4.23Å; I441-F454 HydrophobicContact CG2-CB 4.48Å; L446-F454 HydrophobicContact CD1-CB 4.46Å; L446-F454 HydrophobicContact CD2-CB 3.96Å; F454-D456 VanDerWaalsContact C-N 3.25Å; F454-D456 PolarHBondContact O-N 3.07Å; F454-V457 WeakPolarHBondContact O-CB 3.29Å; F454-V457 VanDerWaalsContact O-CG2 3.24Å; F454-V457 WeakPolarHBondContact O-CG2 3.42Å; F454-V457 PolarHBondContact O-N 2.87Å
455	E	97.6	Very high	97.4	Very high	96 Å²	96	39.7 Å²	39.7	45%	0.449	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-73.9	-11	178.3	-48.2	160.5	82.9	0	0	114.2	K343 S453	K343-E455 HydrophobicContact CD-CB 3.91Å; K343-E455 VanDerWaalsContact CD-CD 3.49Å; K343-E455 HydrophobicContact CD-CG 4.41Å; K343-E455 WeakPolarHBondContact CD-OE1 3.25Å; K343-E455 WeakPolarHBondContact CD-OE2 3.47Å; K343-E455 VanDerWaalsContact NZ-CD 3.33Å; K343-E455 IonicContact NZ-OE1 3.17Å; K343-E455 PolarHBondContact NZ-OE1 2.63Å; K343-E455 IonicContact NZ-OE2 3.19Å; S453-E455 PolarHBondContact O-N 3.17Å; S453-E455 WeakPolarHBondContact OG-CG 3.32Å; S453-E455 PolarHBondContact OG-N 3.28Å; S453-E455 PolarHBondContact OG-OE2 3.07Å
456	D	97.8	Very high	97.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.011	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-96	-8.9	177.1	-82.7	-44.4	0	0	0	112.2	K343 S453 F454 D458 R459 L460	K343-D456 WeakPolarHBondContact CB-OD2 3.05Å; K343-D456 PolarHBondContact N-OD2 3.04Å; S453-D456 PolarHBondContact O-N 3.28Å; S453-D456 VanDerWaalsContact O-N 3.11Å; F454-D456 VanDerWaalsContact C-N 3.25Å; F454-D456 PolarHBondContact O-N 3.07Å; D456-D458 PolarHBondContact O-N 3.01Å; D456-R459 PolarHBondContact O-N 2.7Å; D456-R459 IonicContact OD1-CZ 2.77Å; D456-R459 IonicContact OD1-NE 3.3Å; D456-R459 PolarHBondContact OD1-NE 2.99Å; D456-R459 IonicContact OD1-NH2 2.78Å; D456-R459 PolarHBondContact OD1-NH2 2.96Å; D456-L460 HydrophobicContact CB-CD1 3.85Å; D456-L460 HydrophobicContact CB-CG 4.25Å; D456-L460 WeakPolarHBondContact O-CB 3.24Å; D456-L460 VanDerWaalsContact O-CG 3.29Å; D456-L460 WeakPolarHBondContact O-CG 3.32Å; D456-L460 PolarHBondContact O-N 3.14Å
457	V	97.4	Very high	97	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-55.7	-168.7	170.6	0	0	0	0	112.6	M445 L446 L449 F454 R459 L460 T461	M445-V457 HydrophobicContact CB-CG1 4.19Å; M445-V457 HydrophobicContact CG-CG1 3.89Å; L446-V457 HydrophobicContact CB-CG2 3.97Å; L446-V457 HydrophobicContact CD1-CG2 3.81Å; L446-V457 HydrophobicContact CG-CG2 4.41Å; L449-V457 HydrophobicContact CD1-CB 4.06Å; L449-V457 HydrophobicContact CD1-CG1 3.9Å; L449-V457 HydrophobicContact CD1-CG2 4.05Å; F454-V457 WeakPolarHBondContact O-CB 3.29Å; F454-V457 VanDerWaalsContact O-CG2 3.24Å; F454-V457 WeakPolarHBondContact O-CG2 3.42Å; F454-V457 PolarHBondContact O-N 2.87Å; V457-R459 VanDerWaalsContact C-N 3.26Å; V457-R459 PolarHBondContact O-N 3.45Å; V457-L460 PolarHBondContact O-N 2.82Å; V457-L460 VanDerWaalsContact O-N 3.16Å; V457-T461 PolarHBondContact O-N 3.31Å; V457-T461 PolarHBondContact O-OG1 3.15Å
458	D	96.6	Very high	96.6	Very high	128 Å²	128	57.8 Å²	57.8	68%	0.684	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-37.2	-175.8	-52.3	-25.8	0	0	0	111.8	D456 P462	D456-D458 PolarHBondContact O-N 3.01Å; D458-P462 WeakPolarHBondContact O-CD 3.37Å
459	R	96.8	Very high	96.6	Very high	122 Å²	122	59.4 Å²	59.4	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-73.5	-27.9	-179.4	-173.8	174.7	69.4	101.8	-7	113.1	H340 N341 D456 V457	H340-R459 PolarHBondContact O-NH1 3.22Å; H340-R459 PolarHBondContact O-NH2 3.23Å; N341-R459 PolarHBondContact O-NH2 2.98Å; N341-R459 VanDerWaalsContact O-NH2 3.12Å; D456-R459 PolarHBondContact O-N 2.7Å; D456-R459 IonicContact OD1-CZ 2.77Å; D456-R459 IonicContact OD1-NE 3.3Å; D456-R459 PolarHBondContact OD1-NE 2.99Å; D456-R459 IonicContact OD1-NH2 2.78Å; D456-R459 PolarHBondContact OD1-NH2 2.96Å; V457-R459 VanDerWaalsContact C-N 3.26Å; V457-R459 PolarHBondContact O-N 3.45Å
460	L	97.4	Very high	96.4	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-96	-20.9	-178.9	-65	-179.3	0	0	0	113.5	W331 H340 L342 L449 V452 D456 V457 L463 A464	W331-L460 HydrophobicContact CD2-CD1 4.09Å; W331-L460 HydrophobicContact CD2-CD2 4.37Å; W331-L460 HydrophobicContact CE3-CD1 4.36Å; W331-L460 HydrophobicContact CE3-CD2 3.85Å; W331-L460 HydrophobicContact CH2-CB 3.76Å; W331-L460 HydrophobicContact CH2-CD1 4.4Å; W331-L460 HydrophobicContact CH2-CD2 4.42Å; W331-L460 HydrophobicContact CH2-CG 4.42Å; W331-L460 HydrophobicContact CZ2-CB 4.12Å; W331-L460 HydrophobicContact CZ2-CD1 4.12Å; W331-L460 HydrophobicContact CZ3-CB 4.07Å; W331-L460 HydrophobicContact CZ3-CD2 3.89Å; W331-L460 HydrophobicContact CZ3-CG 4.37Å; H340-L460 HydrophobicContact CB-CD2 4.41Å; L342-L460 HydrophobicContact CD1-CD1 4.49Å; L342-L460 HydrophobicContact CD2-CD1 3.73Å; L342-L460 HydrophobicContact CD2-CD2 3.91Å; L342-L460 HydrophobicContact CD2-CG 4.29Å; L449-L460 HydrophobicContact CD1-CB 4.21Å; L449-L460 HydrophobicContact CD2-CB 4.05Å; V452-L460 HydrophobicContact CB-CD1 4.14Å; V452-L460 HydrophobicContact CG1-CD1 3.64Å; D456-L460 HydrophobicContact CB-CD1 3.85Å; D456-L460 HydrophobicContact CB-CG 4.25Å; D456-L460 WeakPolarHBondContact O-CB 3.24Å; D456-L460 VanDerWaalsContact O-CG 3.29Å; D456-L460 WeakPolarHBondContact O-CG 3.32Å; D456-L460 PolarHBondContact O-N 3.14Å; V457-L460 PolarHBondContact O-N 2.82Å; V457-L460 VanDerWaalsContact O-N 3.16Å; L460-L463 CarbonylContact O-C 3.55Å; L460-L463 WeakPolarHBondContact O-CA 3.27Å; L460-L463 PolarHBondContact O-N 2.94Å; L460-A464 PolarHBondContact O-N 3.4Å
461	T	97.1	Very high	96.4	Very high	52 Å²	52	64.6 Å²	64.6	32%	0.319	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-51.9	-44.2	180	-63.4	0	0	0	0	113.5	M445 V457 L463 A464	M445-T461 HydrophobicContact CE-CG2 3.83Å; M445-T461 HydrophobicContact CG-CG2 4.3Å; M445-T461 VanDerWaalsContact CG-OG1 3.31Å; M445-T461 WeakPolarHBondContact CG-OG1 3.2Å; M445-T461 HydrophobicContact SD-CG2 4.09Å; V457-T461 PolarHBondContact O-N 3.31Å; V457-T461 PolarHBondContact O-OG1 3.15Å; T461-L463 PolarHBondContact O-N 2.96Å; T461-L463 VanDerWaalsContact O-N 3.14Å; T461-A464 WeakPolarHBondContact O-CB 3.26Å; T461-A464 PolarHBondContact O-N 2.92Å
462	P	97.3	Very high	96.4	Very high	110 Å²	110	62.3 Å²	62.3	71%	0.714	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-69.2	-8.1	176.9	-19.6	33.7	0	0	0	115.1	D458	D458-P462 WeakPolarHBondContact O-CD 3.37Å
463	L	96.6	Very high	96.3	Very high	88 Å²	88	66.6 Å²	66.6	46%	0.461	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-114.8	6.2	-177.5	-56.4	177.1	0	0	0	112.1	W331 L460 T461	W331-L463 HydrophobicContact CZ3-CB 4.05Å; L460-L463 CarbonylContact O-C 3.55Å; L460-L463 WeakPolarHBondContact O-CA 3.27Å; L460-L463 PolarHBondContact O-N 2.94Å; T461-L463 PolarHBondContact O-N 2.96Å; T461-L463 VanDerWaalsContact O-N 3.14Å
464	A	96.3	Very high	96.2	Very high	22 Å²	22	67 Å²	67	18%	0.182	33%	0.33	C	S	.	.			trans	-77.8	132	-172.5	0	0	0	0	0	112.3	W331 L449 L460 T461 M466	W331-A464 HydrophobicContact CH2-CB 4.44Å; L449-A464 HydrophobicContact CD2-CB 3.56Å; L460-A464 PolarHBondContact O-N 3.4Å; T461-A464 WeakPolarHBondContact O-CB 3.26Å; T461-A464 PolarHBondContact O-N 2.92Å; A464-M466 HydrophobicContact CB-CG 4.13Å; A464-M466 HydrophobicContact CB-SD 3.76Å; A464-M466 PolarHBondContact O-N 3.11Å
465	Q	96.4	Very high	96.1	Very high	106 Å²	106	66 Å²	66	50%	0.495	33%	0.326	S	S	.	.			trans	-80	112.4	161.7	-66.2	-173.8	35.8	0	0	107.9	Q328 Q329 V469	Q328-Q465 PolarHBondContact O-NE2 2.59Å; Q328-Q465 PolarHBondContact O-OE1 3.48Å; Q328-Q465 VanDerWaalsContact O-OE1 3.13Å; Q329-Q465 PolarHBondContact NE2-O 2.81Å; Q465-V469 WeakPolarHBondContact O-CG1 3.16Å
466	M	95.8	Very high	95.8	Very high	88 Å²	88	67.6 Å²	67.6	43%	0.433	33%	0.333	S	S	.	.			trans	-101.9	-3.8	-176.6	-62	-59.8	-68.7	0	0	113.1	M445 A448 A464 K468 V469	M445-M466 HydrophobicContact CE-CE 3.76Å; M445-M466 HydrophobicContact CE-SD 4.16Å; M445-M466 HydrophobicContact SD-CE 4.12Å; M445-M466 HydrophobicContact SD-SD 3.99Å; A448-M466 HydrophobicContact CB-CE 3.71Å; A448-M466 HydrophobicContact CB-SD 3.97Å; A464-M466 HydrophobicContact CB-CG 4.13Å; A464-M466 HydrophobicContact CB-SD 3.76Å; A464-M466 PolarHBondContact O-N 3.11Å; M466-K468 PolarHBondContact O-N 2.86Å; M466-V469 HydrophobicContact CE-CG2 4.24Å
467	E	91.2	Very high	95.8	Very high	151 Å²	151	71 Å²	71	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	125.1	172.9	-71.5	-174.9	-146.6	0	0	111	Q328 V469	Q328-E467 PolarHBondContact OE1-O 3.15Å; E467-V469 PolarHBondContact O-N 3.29Å
468	K	90.7	Very high	95.7	Very high	172 Å²	172	76.5 Å²	76.5	75%	0.748	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	25	171.8	-50.7	165.6	-171.9	163.3	0	114.3	Q328 M466	Q328-K468 PolarHBondContact NE2-O 2.96Å; M466-K468 PolarHBondContact O-N 2.86Å
469	V	95.9	Very high	95.7	Very high	33 Å²	33	78.1 Å²	78.1	20%	0.2	38%	0.381	C	S	.	.			trans	-67.5	140.8	169.1	-62.2	0	0	0	0	110.4	A448 Q465 M466 E467	A448-V469 HydrophobicContact CB-CB 4.1Å; A448-V469 HydrophobicContact CB-CG1 4.18Å; A448-V469 HydrophobicContact CB-CG2 4.02Å; Q465-V469 WeakPolarHBondContact O-CG1 3.16Å; M466-V469 HydrophobicContact CE-CG2 4.24Å; E467-V469 PolarHBondContact O-N 3.29Å
470	R	95.8	Very high	95.8	Very high	56 Å²	56	77 Å²	77	21%	0.211	38%	0.379	C	S	.	.			trans	-106.7	120.7	179	-64	178.1	76.8	150.8	8.5	110.6	E267 G268 E272 F321 N325	E267-R470 PolarHBondContact O-NH2 3.47Å; G268-R470 PolarHBondContact O-NH2 3.26Å; E272-R470 IonicContact OE1-CZ 2.58Å; E272-R470 IonicContact OE1-NH1 3.7Å; E272-R470 PolarHBondContact OE1-NH1 3.32Å; E272-R470 IonicContact OE1-NH2 2.74Å; E272-R470 IonicContact OE2-CZ 3.49Å; E272-R470 IonicContact OE2-NH1 3.71Å; E272-R470 PolarHBondContact OE2-NH1 2.88Å; E272-R470 IonicContact OE2-NH2 3.76Å; F321-R470 HydrophobicContact CD2-CB 4.15Å; F321-R470 HydrophobicContact CE2-CB 4.47Å; F321-R470 HydrophobicContact CG-CB 4.26Å; N325-R470 PolarHBondContact ND2-O 3.48Å; N325-R470 PolarHBondContact OD1-N 3.49Å
471	I	96.4	Very high	95.8	Very high	54 Å²	54	77.2 Å²	77.2	28%	0.277	38%	0.38	S	S	.	.			trans	-109.7	125.6	172.2	-61	171.4	0	0	0	107	P444 M475	P444-I471 HydrophobicContact CB-CD1 4.08Å; I471-M475 HydrophobicContact CG2-CB 4.24Å
472	P	96.8	Very high	95.9	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.384	C	S	.	.			trans	-59.3	146.4	-178.1	-18.8	27.7	0	0	0	112.4	E267 G317 F321 M447 F474 M475	E267-P472 VanDerWaalsContact OE2-CA 3.27Å; E267-P472 WeakPolarHBondContact OE2-CA 3.19Å; G317-P472 WeakPolarHBondContact O-CG 3.31Å; F321-P472 HydrophobicContact CD2-CB 4.45Å; F321-P472 HydrophobicContact CD2-CG 3.99Å; M447-P472 HydrophobicContact CE-CG 3.74Å; P472-F474 HydrophobicContact CB-CD1 3.52Å; P472-F474 HydrophobicContact CB-CE1 3.25Å; P472-F474 HydrophobicContact CB-CG 4.28Å; P472-F474 HydrophobicContact CB-CZ 3.8Å; P472-F474 HydrophobicContact CG-CD1 4.5Å; P472-F474 HydrophobicContact CG-CE1 3.8Å; P472-F474 HydrophobicContact CG-CZ 3.91Å; P472-F474 PolarHBondContact O-N 3.48Å; P472-F474 VanDerWaalsContact O-N 3.09Å; P472-M475 PolarHBondContact O-N 2.71Å
473	H	96.2	Very high	95.9	Very high	90 Å²	90	77.6 Å²	77.6	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-52.1	-38	178.3	178.5	-27.2	0	0	0	111.9	K266 E267 M475 Q476	K266-H473 WeakPolarHBondContact CE-CD2 3.43Å; E267-H473 WeakPolarHBondContact OE1-CB 3.24Å; E267-H473 PolarHBondContact OE1-N 2.82Å; E267-H473 PolarHBondContact OE2-N 3.46Å; H473-M475 PolarHBondContact O-N 2.99Å; H473-M475 VanDerWaalsContact O-N 3.16Å; H473-Q476 PolarHBondContact O-N 3.27Å
474	F	95.9	Very high	96	Very high	11 Å²	11	74.6 Å²	74.6	5%	0.048	36%	0.361	C	S	.	.	H	α-helix	trans	-71.4	-4.1	-177.2	73	-100.6	0	0	0	115.3	R313 H356 L359 F360 P472	R313-F474 HydrophobicContact CB-CD1 4.33Å; R313-F474 HydrophobicContact CB-CE1 3.78Å; R313-F474 HydrophobicContact CB-CZ 4.01Å; R313-F474 HydrophobicContact CG-CD1 3.68Å; R313-F474 HydrophobicContact CG-CE1 3.64Å; R313-F474 HydrophobicContact CG-CG 4.29Å; R313-F474 HydrophobicContact CG-CZ 4.25Å; H356-F474 HydrophobicContact CB-CE2 4.34Å; H356-F474 HydrophobicContact CB-CZ 4.29Å; H356-F474 AromaticContact CD2-CE2 3.64Å; H356-F474 AromaticContact CE1-CE2 3.75Å; H356-F474 AromaticContact CE1-CZ 3.81Å; H356-F474 AromaticContact CG-CE2 3.7Å; H356-F474 AromaticContact CG-CZ 3.8Å; H356-F474 AromaticContact ND1-CE2 3.78Å; H356-F474 AromaticContact ND1-CZ 3.56Å; H356-F474 AromaticContact NE2-CE2 3.67Å; L359-F474 HydrophobicContact CD2-CD2 3.87Å; L359-F474 HydrophobicContact CD2-CE2 4.18Å; F360-F474 HydrophobicContact CD2-CB 4.48Å; F360-F474 HydrophobicContact CE2-CB 3.85Å; F360-F474 HydrophobicContact CE2-CD2 4.26Å; F360-F474 HydrophobicContact CE2-CG 4.46Å; P472-F474 HydrophobicContact CB-CD1 3.52Å; P472-F474 HydrophobicContact CB-CE1 3.25Å; P472-F474 HydrophobicContact CB-CG 4.28Å; P472-F474 HydrophobicContact CB-CZ 3.8Å; P472-F474 HydrophobicContact CG-CD1 4.5Å; P472-F474 HydrophobicContact CG-CE1 3.8Å; P472-F474 HydrophobicContact CG-CZ 3.91Å; P472-F474 PolarHBondContact O-N 3.48Å; P472-F474 VanDerWaalsContact O-N 3.09Å
475	M	95.4	Very high	96.1	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-115.7	-3.3	177.3	-168.2	-177.1	-77.3	0	0	112.9	H356 F443 M447 I471 P472 H473 D477 Y481	H356-M475 VanDerWaalsContact CE1-CE 3.47Å; H356-M475 WeakPolarHBondContact CE1-CE 3.42Å; H356-M475 WeakPolarHBondContact NE2-CE 3.45Å; F443-M475 HydrophobicContact CB-CE 4.27Å; F443-M475 HydrophobicContact CB-SD 3.88Å; M447-M475 HydrophobicContact CB-SD 4.34Å; M447-M475 HydrophobicContact CG-CE 3.71Å; M447-M475 HydrophobicContact CG-SD 3.4Å; M447-M475 WeakPolarHBondContact CG-SD 3.45Å; M447-M475 HydrophobicContact SD-CE 4.28Å; I471-M475 HydrophobicContact CG2-CB 4.24Å; P472-M475 PolarHBondContact O-N 2.71Å; H473-M475 PolarHBondContact O-N 2.99Å; H473-M475 VanDerWaalsContact O-N 3.16Å; M475-D477 VanDerWaalsContact C-N 3.31Å; M475-D477 PolarHBondContact O-N 2.84Å; M475-Y481 HydrophobicContact CB-CD2 4.28Å; M475-Y481 HydrophobicContact CE-CD2 4.46Å; M475-Y481 HydrophobicContact CE-CE2 3.66Å; M475-Y481 HydrophobicContact CG-CD2 4.02Å; M475-Y481 HydrophobicContact CG-CE2 4.15Å; M475-Y481 HydrophobicContact CG-CG 4.37Å
476	Q	93	Very high	96.2	Very high	130 Å²	130	72 Å²	72	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-66.7	-35.6	179.1	-67.5	172.5	-1.4	0	0	112	H473 Q478	H473-Q476 PolarHBondContact O-N 3.27Å; Q476-Q478 PolarHBondContact O-N 3.15Å
477	D	96.4	Very high	96.4	Very high	74 Å²	74	70.9 Å²	70.9	40%	0.396	34%	0.342	S	S	.	.			trans	-84.9	94.2	171.4	-178.9	-12.1	0	0	0	109.2	M475 K480 Y481	M475-D477 VanDerWaalsContact C-N 3.31Å; M475-D477 PolarHBondContact O-N 2.84Å; D477-K480 HydrophobicContact CB-CB 4.29Å; D477-K480 WeakPolarHBondContact OD1-CB 3.42Å; D477-K480 PolarHBondContact OD1-N 3.32Å; D477-K480 VanDerWaalsContact OD1-N 3.12Å; D477-K480 VanDerWaalsContact OD2-CB 3.24Å; D477-K480 WeakPolarHBondContact OD2-CB 3.35Å; D477-K480 WeakPolarHBondContact OD2-CD 3.23Å; D477-Y481 VanDerWaalsContact O-CB 3.22Å; D477-Y481 WeakPolarHBondContact O-CB 3.48Å; D477-Y481 PolarHBondContact O-N 3.21Å; D477-Y481 VanDerWaalsContact O-N 3.08Å
478	Q	96.2	Very high	96.7	Very high	117 Å²	117	63.7 Å²	63.7	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-73.9	-34.7	-172.5	-69.7	-176.6	70	0	0	113.2	P444 Q476 Y481 A482	P444-Q478 HydrophobicContact CG-CG 3.96Å; Q476-Q478 PolarHBondContact O-N 3.15Å; Q478-Y481 PolarHBondContact O-N 2.98Å; Q478-A482 WeakPolarHBondContact O-CB 3.27Å; Q478-A482 PolarHBondContact O-N 3.27Å
479	E	97	Very high	97.1	Very high	163 Å²	163	56 Å²	56	76%	0.762	28%	0.276	S	S	*	.	H	α-helix	trans	-65.2	-52.4	179.4	-64.5	-178.4	169.5	0	0	109.7	Y481 A482 E483	E479-Y481 VanDerWaalsContact C-N 3.29Å; E479-Y481 PolarHBondContact O-N 3.07Å; E479-A482 WeakPolarHBondContact O-CB 3.16Å; E479-A482 PolarHBondContact O-N 2.86Å; E479-A482 VanDerWaalsContact O-N 3.09Å; E479-E483 WeakPolarHBondContact O-CG 3.42Å; E479-E483 PolarHBondContact O-N 3.31Å
480	K	97.8	Very high	97.2	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-32.7	175.9	-170.5	176.2	-170.9	160.2	0	113.5	F360 D477 Q484	F360-K480 HydrophobicContact CE1-CD 4.45Å; F360-K480 HydrophobicContact CE1-CG 4.2Å; D477-K480 HydrophobicContact CB-CB 4.29Å; D477-K480 WeakPolarHBondContact OD1-CB 3.42Å; D477-K480 PolarHBondContact OD1-N 3.32Å; D477-K480 VanDerWaalsContact OD1-N 3.12Å; D477-K480 VanDerWaalsContact OD2-CB 3.24Å; D477-K480 WeakPolarHBondContact OD2-CB 3.35Å; D477-K480 WeakPolarHBondContact OD2-CD 3.23Å; K480-Q484 WeakPolarHBondContact O-CG 3.35Å; K480-Q484 PolarHBondContact O-N 3.18Å; K480-Q484 VanDerWaalsContact O-N 3.08Å; K480-Q484 PolarHBondContact O-NE2 3.48Å
481	Y	98.3	Very high	97.3	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-45.9	172.6	-179.6	-87.4	0	0	0	110.6	H356 L359 F443 M475 D477 Q478 E479 Q484 L485	H356-Y481 AromaticContact NE2-CE2 3.68Å; H356-Y481 AromaticContact NE2-CZ 3.9Å; H356-Y481 PolarHBondContact NE2-OH 2.88Å; L359-Y481 HydrophobicContact CD1-CD2 4.46Å; L359-Y481 HydrophobicContact CD1-CE2 4.25Å; L359-Y481 HydrophobicContact CD2-CD2 3.67Å; L359-Y481 HydrophobicContact CD2-CE2 3.56Å; F443-Y481 HydrophobicContact CB-CE1 4Å; F443-Y481 AromaticContact CD1-CE1 3.73Å; F443-Y481 HydrophobicContact CD1-CE1 3.73Å; F443-Y481 AromaticContact CD1-CZ 3.9Å; F443-Y481 WeakPolarHBondContact CD1-OH 3.32Å; F443-Y481 HydrophobicContact CD2-CD1 4.3Å; F443-Y481 AromaticContact CD2-CE1 3.64Å; F443-Y481 HydrophobicContact CD2-CE1 3.64Å; F443-Y481 HydrophobicContact CE1-CE1 4.06Å; F443-Y481 WeakPolarHBondContact CE1-OH 3.39Å; F443-Y481 AromaticContact CE2-CE1 3.97Å; F443-Y481 HydrophobicContact CE2-CE1 3.97Å; F443-Y481 HydrophobicContact CG-CD1 4.38Å; F443-Y481 AromaticContact CG-CE1 3.51Å; F443-Y481 HydrophobicContact CG-CE1 3.51Å; F443-Y481 HydrophobicContact CZ-CE1 4.18Å; M475-Y481 HydrophobicContact CB-CD2 4.28Å; M475-Y481 HydrophobicContact CE-CD2 4.46Å; M475-Y481 HydrophobicContact CE-CE2 3.66Å; M475-Y481 HydrophobicContact CG-CD2 4.02Å; M475-Y481 HydrophobicContact CG-CE2 4.15Å; M475-Y481 HydrophobicContact CG-CG 4.37Å; D477-Y481 VanDerWaalsContact O-CB 3.22Å; D477-Y481 WeakPolarHBondContact O-CB 3.48Å; D477-Y481 PolarHBondContact O-N 3.21Å; D477-Y481 VanDerWaalsContact O-N 3.08Å; Q478-Y481 PolarHBondContact O-N 2.98Å; E479-Y481 VanDerWaalsContact C-N 3.29Å; E479-Y481 PolarHBondContact O-N 3.07Å; Y481-Q484 PolarHBondContact O-N 3.44Å; Y481-L485 HydrophobicContact CD1-CD1 4.32Å; Y481-L485 HydrophobicContact CD1-CG 4.39Å; Y481-L485 HydrophobicContact CE1-CD1 3.74Å; Y481-L485 HydrophobicContact CE1-CD2 4.25Å; Y481-L485 HydrophobicContact CE1-CG 4.03Å; Y481-L485 PolarHBondContact O-N 2.75Å; Y481-L485 VanDerWaalsContact O-N 3.13Å
482	A	98.2	Very high	97.4	Very high	50 Å²	50	55.7 Å²	55.7	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-41.7	175	0	0	0	0	0	112.5	Q478 E479 Q484 L485 T486	Q478-A482 WeakPolarHBondContact O-CB 3.27Å; Q478-A482 PolarHBondContact O-N 3.27Å; E479-A482 WeakPolarHBondContact O-CB 3.16Å; E479-A482 PolarHBondContact O-N 2.86Å; E479-A482 VanDerWaalsContact O-N 3.09Å; A482-Q484 VanDerWaalsContact C-N 3.27Å; A482-Q484 PolarHBondContact O-N 3.36Å; A482-L485 PolarHBondContact O-N 3.42Å; A482-L485 VanDerWaalsContact O-N 3.09Å; A482-T486 PolarHBondContact O-N 2.88Å; A482-T486 PolarHBondContact O-OG1 3.06Å
483	E	98.3	Very high	97.5	Very high	121 Å²	121	61.3 Å²	61.3	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-53.1	-44.3	171	-70.8	-178.2	156.1	0	0	111.8	E479 L485 T486 K487	E479-E483 WeakPolarHBondContact O-CG 3.42Å; E479-E483 PolarHBondContact O-N 3.31Å; E483-L485 VanDerWaalsContact C-N 3.35Å; E483-L485 PolarHBondContact O-N 3.39Å; E483-T486 PolarHBondContact O-N 3.41Å; E483-K487 WeakPolarHBondContact O-CB 3.28Å; E483-K487 PolarHBondContact O-N 3.39Å
484	Q	98.5	Very high	97.6	Very high	25 Å²	25	57.5 Å²	57.5	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-69.5	-31	179.6	-65.2	-26.8	-83.7	0	0	112.4	L359 F360 K480 Y481 A482 K487 I488	L359-Q484 HydrophobicContact CD1-CB 3.47Å; L359-Q484 VanDerWaalsContact CD1-CB 3.47Å; L359-Q484 HydrophobicContact CD1-CG 4.43Å; L359-Q484 HydrophobicContact CG-CB 3.82Å; L359-Q484 HydrophobicContact CG-CG 4.28Å; L359-Q484 WeakPolarHBondContact O-CB 3.18Å; L359-Q484 WeakPolarHBondContact O-CG 3.21Å; F360-Q484 HydrophobicContact CD1-CG 3.7Å; F360-Q484 HydrophobicContact CE1-CG 3.44Å; F360-Q484 VanDerWaalsContact CE1-CG 3.44Å; F360-Q484 HydrophobicContact CG-CG 4.46Å; F360-Q484 HydrophobicContact CZ-CG 4.01Å; K480-Q484 WeakPolarHBondContact O-CG 3.35Å; K480-Q484 PolarHBondContact O-N 3.18Å; K480-Q484 VanDerWaalsContact O-N 3.08Å; K480-Q484 PolarHBondContact O-NE2 3.48Å; Y481-Q484 PolarHBondContact O-N 3.44Å; A482-Q484 VanDerWaalsContact C-N 3.27Å; A482-Q484 PolarHBondContact O-N 3.36Å; Q484-K487 PolarHBondContact O-N 2.93Å; Q484-I488 VanDerWaalsContact O-CG1 3.28Å; Q484-I488 WeakPolarHBondContact O-CG1 3.38Å; Q484-I488 PolarHBondContact O-N 2.62Å
485	L	98.6	Very high	97.7	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-45	171.4	-61.2	-169	0	0	0	111.6	I355 L359 L435 R438 F443 Y481 A482 E483 K487 I488 M489	I355-L485 HydrophobicContact CG2-CD2 3.47Å; I355-L485 VanDerWaalsContact CG2-CD2 3.47Å; L359-L485 HydrophobicContact CD1-CD2 3.83Å; L435-L485 HydrophobicContact CD2-CB 4.26Å; L435-L485 HydrophobicContact CD2-CD2 4.37Å; R438-L485 HydrophobicContact CB-CD1 3.81Å; F443-L485 HydrophobicContact CE1-CD1 4.36Å; F443-L485 HydrophobicContact CE2-CD1 3.59Å; F443-L485 HydrophobicContact CZ-CD1 3.51Å; Y481-L485 HydrophobicContact CD1-CD1 4.32Å; Y481-L485 HydrophobicContact CD1-CG 4.39Å; Y481-L485 HydrophobicContact CE1-CD1 3.74Å; Y481-L485 HydrophobicContact CE1-CD2 4.25Å; Y481-L485 HydrophobicContact CE1-CG 4.03Å; Y481-L485 PolarHBondContact O-N 2.75Å; Y481-L485 VanDerWaalsContact O-N 3.13Å; A482-L485 PolarHBondContact O-N 3.42Å; A482-L485 VanDerWaalsContact O-N 3.09Å; E483-L485 VanDerWaalsContact C-N 3.35Å; E483-L485 PolarHBondContact O-N 3.39Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.42Å; L485-I488 HydrophobicContact CD2-CD1 4.23Å; L485-I488 WeakPolarHBondContact O-CB 3.17Å; L485-I488 PolarHBondContact O-N 2.8Å; L485-M489 PolarHBondContact O-N 3.45Å; L485-M489 VanDerWaalsContact O-N 3.13Å
486	T	98.5	Very high	97.8	Very high	68 Å²	68	62.3 Å²	62.3	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-43	174	-60.2	0	0	0	0	111	A482 E483 I488 M489 V490	A482-T486 PolarHBondContact O-N 2.88Å; A482-T486 PolarHBondContact O-OG1 3.06Å; E483-T486 PolarHBondContact O-N 3.41Å; T486-I488 PolarHBondContact O-N 3.19Å; T486-M489 PolarHBondContact O-N 2.87Å; T486-M489 VanDerWaalsContact O-N 3.16Å; T486-V490 WeakPolarHBondContact O-CG2 3.37Å; T486-V490 PolarHBondContact O-N 3.08Å
487	K	98.6	Very high	98	Very high	66 Å²	66	62.6 Å²	62.6	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-41.2	174.3	-170.6	-168.8	176	-169	0	112.3	R361 K362 P364 E483 Q484 L485 M489 V491	R361-K487 PolarHBondContact O-NZ 3.28Å; K362-K487 WeakPolarHBondContact O-CE 3.33Å; K362-K487 PolarHBondContact O-NZ 3.16Å; P364-K487 HydrophobicContact CG-CD 4.14Å; P364-K487 HydrophobicContact CG-CG 4.08Å; E483-K487 WeakPolarHBondContact O-CB 3.28Å; E483-K487 PolarHBondContact O-N 3.39Å; Q484-K487 PolarHBondContact O-N 2.93Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.42Å; K487-M489 VanDerWaalsContact C-N 3.35Å; K487-M489 PolarHBondContact O-N 3.36Å; K487-V491 HydrophobicContact CG-CG2 4.23Å; K487-V491 VanDerWaalsContact O-CB 3.32Å; K487-V491 WeakPolarHBondContact O-CB 3.38Å; K487-V491 VanDerWaalsContact O-CG2 3.22Å; K487-V491 WeakPolarHBondContact O-CG2 3.36Å; K487-V491 PolarHBondContact O-N 3.42Å
488	I	98.8	Very high	98	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58	-47.5	173.7	-71.9	159.3	0	0	0	110.2	I355 V358 L359 P364 L366 L435 Q484 L485 T486 N492	I355-I488 HydrophobicContact CG2-CD1 3.93Å; V358-I488 HydrophobicContact CG2-CD1 3.9Å; V358-I488 HydrophobicContact CG2-CG1 4.05Å; L359-I488 HydrophobicContact CD1-CD1 4.1Å; P364-I488 HydrophobicContact CB-CG1 3.86Å; P364-I488 HydrophobicContact CG-CG1 4.29Å; L366-I488 HydrophobicContact CD1-CG2 3.94Å; L366-I488 HydrophobicContact CD2-CG2 4.05Å; L366-I488 HydrophobicContact CG-CG2 4.11Å; L435-I488 HydrophobicContact CD1-CG2 3.79Å; L435-I488 HydrophobicContact CD2-CG2 4.35Å; Q484-I488 VanDerWaalsContact O-CG1 3.28Å; Q484-I488 WeakPolarHBondContact O-CG1 3.38Å; Q484-I488 PolarHBondContact O-N 2.62Å; L485-I488 HydrophobicContact CD2-CD1 4.23Å; L485-I488 WeakPolarHBondContact O-CB 3.17Å; L485-I488 PolarHBondContact O-N 2.8Å; T486-I488 PolarHBondContact O-N 3.19Å; I488-N492 WeakPolarHBondContact O-CB 3.49Å; I488-N492 PolarHBondContact O-N 3.31Å; I488-N492 PolarHBondContact O-ND2 2.8Å
489	M	98.5	Very high	98.1	Very high	11 Å²	11	56 Å²	56	5%	0.054	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-48.9	180	-74.9	-179.7	60.5	0	0	112.6	L435 R438 L485 T486 K487 V491 N492 Q493 L494 L499	L435-M489 HydrophobicContact CB-CG 4.23Å; L435-M489 HydrophobicContact CB-SD 4.07Å; L435-M489 HydrophobicContact CD1-CG 3.97Å; L435-M489 HydrophobicContact CD2-CG 4.14Å; L435-M489 HydrophobicContact CD2-SD 4.49Å; L435-M489 HydrophobicContact CG-CG 4.34Å; R438-M489 PolarHBondContact NH1-SD 2.95Å; L485-M489 PolarHBondContact O-N 3.45Å; L485-M489 VanDerWaalsContact O-N 3.13Å; T486-M489 PolarHBondContact O-N 2.87Å; T486-M489 VanDerWaalsContact O-N 3.16Å; K487-M489 VanDerWaalsContact C-N 3.35Å; K487-M489 PolarHBondContact O-N 3.36Å; M489-V491 PolarHBondContact O-N 3.47Å; M489-N492 CarbonylContact O-C 3.54Å; M489-N492 PolarHBondContact O-N 2.87Å; M489-Q493 PolarHBondContact O-N 3.34Å; M489-L494 HydrophobicContact CB-CB 4.39Å; M489-L494 WeakPolarHBondContact CE-O 3.38Å; M489-L494 HydrophobicContact CG-CB 4.29Å; M489-L494 PolarHBondContact O-N 3.17Å; M489-L499 HydrophobicContact CE-CD1 3.94Å; M489-L499 HydrophobicContact SD-CD1 4.44Å
490	V	98.4	Very high	98.1	Very high	106 Å²	106	55 Å²	55	64%	0.642	28%	0.281	S	S	*	.	H	α-helix	trans	-58.9	-47.3	179.5	172.3	0	0	0	0	111.8	T486 N492 Q493	T486-V490 WeakPolarHBondContact O-CG2 3.37Å; T486-V490 PolarHBondContact O-N 3.08Å; V490-N492 PolarHBondContact O-N 3.26Å; V490-Q493 PolarHBondContact O-N 3.31Å
491	V	98.4	Very high	98	Very high	29 Å²	29	56.4 Å²	56.4	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-25.8	-176.4	168.5	0	0	0	0	112.9	R235 D363 P364 K487 M489	R235-V491 PolarHBondContact NH2-O 3.22Å; D363-V491 WeakPolarHBondContact OD1-CG1 3.47Å; P364-V491 HydrophobicContact CG-CB 4.09Å; P364-V491 HydrophobicContact CG-CG1 4.17Å; P364-V491 HydrophobicContact CG-CG2 4.03Å; K487-V491 HydrophobicContact CG-CG2 4.23Å; K487-V491 VanDerWaalsContact O-CB 3.32Å; K487-V491 WeakPolarHBondContact O-CB 3.38Å; K487-V491 VanDerWaalsContact O-CG2 3.22Å; K487-V491 WeakPolarHBondContact O-CG2 3.36Å; K487-V491 PolarHBondContact O-N 3.42Å; M489-V491 PolarHBondContact O-N 3.47Å
492	N	98.6	Very high	97.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	3.3	180	-66.8	-87.4	0	0	0	113.5	I228 P364 T365 L366 I488 M489 V490 L494	I228-N492 HydrophobicContact CG1-CB 4.22Å; P364-N492 PolarHBondContact O-ND2 3Å; T365-N492 WeakPolarHBondContact CA-OD1 3.46Å; L366-N492 WeakPolarHBondContact CB-OD1 3.34Å; L366-N492 HydrophobicContact CD1-CB 4.29Å; L366-N492 PolarHBondContact N-OD1 3.29Å; I488-N492 WeakPolarHBondContact O-CB 3.49Å; I488-N492 PolarHBondContact O-N 3.31Å; I488-N492 PolarHBondContact O-ND2 2.8Å; M489-N492 CarbonylContact O-C 3.54Å; M489-N492 PolarHBondContact O-N 2.87Å; V490-N492 PolarHBondContact O-N 3.26Å; N492-L494 VanDerWaalsContact C-N 3.33Å; N492-L494 HydrophobicContact CB-CD1 4.26Å; N492-L494 HydrophobicContact CB-CG 4.18Å; N492-L494 PolarHBondContact O-N 2.69Å
493	Q	98.3	Very high	97.7	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	41	-178.3	-57.8	-172.8	-7.2	0	0	114.8	L231 M489 V490	L231-Q493 HydrophobicContact CD1-CB 3.85Å; L231-Q493 HydrophobicContact CD1-CG 3.79Å; L231-Q493 HydrophobicContact CD2-CG 4.44Å; M489-Q493 PolarHBondContact O-N 3.34Å; V490-Q493 PolarHBondContact O-N 3.31Å
494	L	98.2	Very high	97.6	Very high	10 Å²	10	55 Å²	55	5%	0.052	29%	0.286	C	S	.	.			trans	-91.3	130.9	174	-59.6	171.6	0	0	0	110	Q224 L366 L432 L435 M489 N492	Q224-L494 HydrophobicContact CG-CD2 4.41Å; L366-L494 HydrophobicContact CD1-CD1 4.14Å; L432-L494 HydrophobicContact CD2-CD1 3.58Å; L432-L494 HydrophobicContact CD2-CD2 3.9Å; L432-L494 HydrophobicContact CD2-CG 4.4Å; L435-L494 HydrophobicContact CD1-CD1 3.91Å; M489-L494 HydrophobicContact CB-CB 4.39Å; M489-L494 WeakPolarHBondContact CE-O 3.38Å; M489-L494 HydrophobicContact CG-CB 4.29Å; M489-L494 PolarHBondContact O-N 3.17Å; N492-L494 VanDerWaalsContact C-N 3.33Å; N492-L494 HydrophobicContact CB-CD1 4.26Å; N492-L494 HydrophobicContact CB-CG 4.18Å; N492-L494 PolarHBondContact O-N 2.69Å
495	T	97.6	Very high	97.6	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.411	30%	0.295	S	S	.	.			trans	-111.1	155.8	177.3	74.1	0	0	0	0	112.6	E497 E498 L499	T495-E497 VanDerWaalsContact C-N 3.29Å; T495-E497 PolarHBondContact O-N 2.89Å; T495-E498 PolarHBondContact O-N 3.2Å; T495-E498 WeakPolarHBondContact OG1-CB 3.44Å; T495-E498 PolarHBondContact OG1-N 2.78Å; T495-E498 VanDerWaalsContact OG1-N 3.11Å; T495-L499 WeakPolarHBondContact O-CB 3.42Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.34Å; T495-L499 PolarHBondContact O-N 3Å
496	D	97.9	Very high	97.5	Very high	47 Å²	47	59.4 Å²	59.4	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-30.7	177.1	-83.1	-63.9	0	0	0	112.5	R436 R438 K500	R436-D496 IonicContact NH1-OD1 2.7Å; R438-D496 IonicContact CZ-OD1 3.24Å; R438-D496 IonicContact CZ-OD2 3.82Å; R438-D496 IonicContact NH1-OD1 3.13Å; R438-D496 PolarHBondContact NH1-OD1 3.25Å; R438-D496 IonicContact NH1-OD2 2.72Å; R438-D496 PolarHBondContact NH1-OD2 2.83Å; R438-D496 IonicContact NH2-OD1 2.7Å; R438-D496 IonicContact NH2-OD2 3.45Å; R438-D496 PolarHBondContact NH2-OD2 3.03Å; D496-K500 WeakPolarHBondContact O-CB 3.42Å; D496-K500 PolarHBondContact O-N 3.25Å
497	E	97.6	Very high	97.5	Very high	135 Å²	135	58.9 Å²	58.9	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-63.9	-49.8	172.4	-68.2	62.2	-135.9	0	0	111	T495 K500 T501	T495-E497 VanDerWaalsContact C-N 3.29Å; T495-E497 PolarHBondContact O-N 2.89Å; E497-K500 PolarHBondContact O-N 2.96Å; E497-T501 PolarHBondContact O-N 2.85Å; E497-T501 PolarHBondContact O-OG1 3.2Å
498	E	96.9	Very high	97.4	Very high	52 Å²	52	58.5 Å²	58.5	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-52.8	177.9	180	-172.7	-149.2	0	0	110.2	Q224 T495 K500 T501 L502	Q224-E498 WeakPolarHBondContact CG-OE1 3.36Å; Q224-E498 PolarHBondContact NE2-OE1 3.39Å; T495-E498 PolarHBondContact O-N 3.2Å; T495-E498 WeakPolarHBondContact OG1-CB 3.44Å; T495-E498 PolarHBondContact OG1-N 2.78Å; T495-E498 VanDerWaalsContact OG1-N 3.11Å; E498-K500 VanDerWaalsContact C-N 3.26Å; E498-K500 PolarHBondContact O-N 3.35Å; E498-T501 PolarHBondContact O-N 3.3Å; E498-T501 VanDerWaalsContact O-N 3.12Å; E498-L502 HydrophobicContact CG-CD1 3.65Å; E498-L502 HydrophobicContact CG-CG 4.32Å; E498-L502 WeakPolarHBondContact O-CB 3.45Å; E498-L502 VanDerWaalsContact O-CG 3.28Å; E498-L502 WeakPolarHBondContact O-CG 3.21Å; E498-L502 PolarHBondContact O-N 2.69Å
499	L	97.3	Very high	97.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-36.5	179.4	-65.2	-179.9	0	0	0	111.5	L432 L435 R436 M489 T495 L502 I503	L432-L499 HydrophobicContact CB-CD2 4.12Å; L432-L499 HydrophobicContact CD2-CD2 3.94Å; L435-L499 HydrophobicContact CB-CD1 4.2Å; R436-L499 HydrophobicContact CB-CB 4.13Å; R436-L499 HydrophobicContact CB-CD1 4.38Å; R436-L499 HydrophobicContact CG-CB 4.42Å; M489-L499 HydrophobicContact CE-CD1 3.94Å; M489-L499 HydrophobicContact SD-CD1 4.44Å; T495-L499 WeakPolarHBondContact O-CB 3.42Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.34Å; T495-L499 PolarHBondContact O-N 3Å; L499-L502 PolarHBondContact O-N 3.38Å; L499-I503 HydrophobicContact CB-CD1 4.42Å; L499-I503 HydrophobicContact CD2-CD1 4.15Å; L499-I503 WeakPolarHBondContact O-CB 3.37Å; L499-I503 PolarHBondContact O-N 3.44Å
500	K	97	Very high	97.2	Very high	142 Å²	142	66.1 Å²	66.1	62%	0.617	35%	0.345	S	S	*	.	H	α-helix	trans	-68.9	-29.4	176.6	177.8	-178.4	174.3	-170.4	0	113.5	D496 E497 E498	D496-K500 WeakPolarHBondContact O-CB 3.42Å; D496-K500 PolarHBondContact O-N 3.25Å; E497-K500 PolarHBondContact O-N 2.96Å; E498-K500 VanDerWaalsContact C-N 3.26Å; E498-K500 PolarHBondContact O-N 3.35Å
501	T	96.6	Very high	97.2	Very high	128 Å²	128	63 Å²	63	79%	0.785	32%	0.322	S	S	*	.	H	α-helix	trans	-80	-30.7	172.5	-67.9	0	0	0	0	111.7	E497 E498	E497-T501 PolarHBondContact O-N 2.85Å; E497-T501 PolarHBondContact O-OG1 3.2Å; E498-T501 PolarHBondContact O-N 3.3Å; E498-T501 VanDerWaalsContact O-N 3.12Å
502	L	94.4	Very high	97	Very high	37 Å²	37	65.8 Å²	65.8	19%	0.194	33%	0.334	C	S	.	.	H	α-helix	trans	-85.5	-28.9	-176.6	-69.2	173	0	0	0	115.1	R220 F221 Q224 E498 L499	R220-L502 PolarHBondContact NE-O 3.45Å; R220-L502 PolarHBondContact NH2-O 3Å; F221-L502 HydrophobicContact CD1-CD1 4.45Å; F221-L502 HydrophobicContact CE1-CB 4.12Å; Q224-L502 HydrophobicContact CG-CD1 3.88Å; E498-L502 HydrophobicContact CG-CD1 3.65Å; E498-L502 HydrophobicContact CG-CG 4.32Å; E498-L502 WeakPolarHBondContact O-CB 3.45Å; E498-L502 VanDerWaalsContact O-CG 3.28Å; E498-L502 WeakPolarHBondContact O-CG 3.21Å; E498-L502 PolarHBondContact O-N 2.69Å; L499-L502 PolarHBondContact O-N 3.38Å
503	I	94.4	Very high	96.9	Very high	54 Å²	54	71.7 Å²	71.7	28%	0.277	36%	0.364	S	S	.	.			trans	-114.1	0	-167.6	-66.3	160.8	0	0	0	112.2	R220 F221 L432 Q433 R436 Y437 L499	R220-I503 VanDerWaalsContact NH2-CA 3.34Å; R220-I503 PolarHBondContact NH2-O 3.04Å; F221-I503 HydrophobicContact CE1-CD1 4.41Å; F221-I503 HydrophobicContact CE1-CG1 3.91Å; F221-I503 HydrophobicContact CZ-CG1 4.02Å; L432-I503 HydrophobicContact CB-CD1 4.01Å; L432-I503 VanDerWaalsContact O-CD1 3.31Å; L432-I503 WeakPolarHBondContact O-CD1 3.35Å; Q433-I503 HydrophobicContact CG-CG2 4.3Å; R436-I503 HydrophobicContact CB-CD1 3.7Å; R436-I503 HydrophobicContact CG-CB 4.12Å; R436-I503 HydrophobicContact CG-CD1 4.1Å; R436-I503 HydrophobicContact CG-CG2 4.06Å; Y437-I503 HydrophobicContact CE2-CG2 3.99Å; L499-I503 HydrophobicContact CB-CD1 4.42Å; L499-I503 HydrophobicContact CD2-CD1 4.15Å; L499-I503 WeakPolarHBondContact O-CB 3.37Å; L499-I503 PolarHBondContact O-N 3.44Å

Retrieved 503 of 503 residues in 672.6 ms (Link to these results)

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