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AMP deaminase

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession X2JFA0, Species DROME (Drosophila melanogaster, Fruit fly), Gene AMPdeam, Length 786 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.2	Very low	25.9	Very low	247 Å²	247	173.5 Å²	173.5	100%	1.217	85%	0.853	S	S	*	*				0	158.5	0	-72.5	174.4	170.8	0	0	108.1
2	N	23.8	Very low	25.7	Very low	142 Å²	142	173.7 Å²	173.7	76%	0.759	86%	0.858	S	S	*	*			trans	-97.8	172.5	-174	-91.6	-7.6	0	0	0	113.1
3	F	24.7	Very low	25.6	Very low	185 Å²	185	176.8 Å²	176.8	81%	0.811	86%	0.855	S	S	*	*			trans	80.8	136.8	169.8	-53.2	-69.8	0	0	0	115.6
4	N	26.5	Very low	25.6	Very low	141 Å²	141	173.7 Å²	173.7	75%	0.754	85%	0.852	S	S	*	*			cis	-152.4	171.9	-7.1	-140.3	-12.7	0	0	0	113.8
5	R	27.7	Very low	25.4	Very low	211 Å²	211	170.9 Å²	170.9	80%	0.796	84%	0.841	S	S	*	*			trans	-64.4	153.4	173.1	-73.8	172.6	159	155.6	-8.1	113.8
6	M	24.5	Very low	25.5	Very low	191 Å²	191	167.7 Å²	167.7	94%	0.941	83%	0.834	S	S	*	*				-149.8	129.5	126.3	-114.8	177.9	-179.3	0	0	111
7	D	25.2	Very low	25.4	Very low	135 Å²	135	169.8 Å²	169.8	72%	0.722	83%	0.83	S	S	*	*			trans	-96.1	142.7	174.1	-76.6	-76.1	0	0	0	110.4
8	T	25.5	Very low	25.4	Very low	139 Å²	139	169.5 Å²	169.5	85%	0.853	83%	0.832	S	S	*	*			trans	-159.5	107.8	153.5	-3.8	0	0	0	0	110.4
9	A	26.7	Very low	25.5	Very low	91 Å²	91	171.7 Å²	171.7	75%	0.752	83%	0.832	S	S	*	*			trans	-121.8	108.4	-179.8	0	0	0	0	0	111	R11	A9-R11 PolarHBondContact O-N 3.21Å
10	H	25.5	Very low	25.4	Very low	195 Å²	195	167.1 Å²	167.1	90%	0.903	83%	0.832	S	S	*	*			trans	-87.5	93	168.8	-88.2	-65.6	0	0	0	110.7
11	R	26.1	Very low	25.3	Very low	231 Å²	231	162.8 Å²	162.8	87%	0.872	83%	0.83	S	S	*	*			trans	-89.7	114.6	162.2	-77.7	-178.3	170	175.6	-3.8	109.5	A9	A9-R11 PolarHBondContact O-N 3.21Å
12	L	24.5	Very low	25.2	Very low	176 Å²	176	156.8 Å²	156.8	92%	0.921	81%	0.812	S	S	*	*			trans	-71.3	127.1	159.7	-84.4	161.7	0	0	0	108.7
13	R	23.5	Very low	25.3	Very low	214 Å²	214	159.3 Å²	159.3	81%	0.808	82%	0.821	S	S	*	*			trans	-86.4	139.5	169.1	-77.1	-177.8	173.8	164.7	-2.7	109.4
14	V	25.8	Very low	25.4	Very low	134 Å²	134	154 Å²	154	81%	0.812	82%	0.819	S	S	*	*			trans	-121	113.5	154.6	179.1	0	0	0	0	105.7
15	D	22.9	Very low	25.6	Very low	131 Å²	131	155.1 Å²	155.1	70%	0.701	83%	0.825	S	S	*	*			trans	-81.2	123.8	179.3	-85.2	-65.3	0	0	0	110.4
16	V	26.3	Very low	25.6	Very low	120 Å²	120	153.3 Å²	153.3	73%	0.727	83%	0.826	S	S	*	*			trans	-122.7	102.1	166.8	-179.6	0	0	0	0	107.8
17	R	24.4	Very low	25.7	Very low	203 Å²	203	151 Å²	151	77%	0.766	82%	0.816	S	S	*	*			trans	-86.7	108.4	174.7	-74.2	-175	176	-171.9	-1.1	110.3
18	L	26	Very low	25.9	Very low	165 Å²	165	151.3 Å²	151.3	86%	0.864	82%	0.818	S	S	*	*			trans	-94.1	128.2	157.7	-69.1	171	0	0	0	108.5
19	Y	26.5	Very low	26	Very low	211 Å²	211	150.2 Å²	150.2	83%	0.827	81%	0.807	S	S	*	*			trans	-109.9	126.8	173.1	-101.1	-82.3	0	0	0	110.1
20	G	23.4	Very low	26.2	Very low	80 Å²	80	154.5 Å²	154.5	83%	0.825	81%	0.809	S	S	*	*			trans	-165.1	125.9	169.1	0	0	0	0	0	108.8
21	G	24.2	Very low	26.3	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	80%	0.802	S	S	*	*			trans	175.3	84	-172	0	0	0	0	0	115.2
22	S	25.4	Very low	26.3	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	80%	0.8	S	S	*	*			trans	31.5	130.6	143.6	-157.6	0	0	0	0	121.2
23	M	27	Very low	26.5	Very low	195 Å²	195	140.1 Å²	140.1	96%	0.961	79%	0.792	S	S	*	*			trans	-108.8	142.8	151.2	-84.5	-168.5	169.8	0	0	110.3
24	G	26.7	Very low	26.6	Very low	74 Å²	74	135 Å²	135	76%	0.763	79%	0.789	S	S	*	*			trans	-111.3	160.1	176.4	0	0	0	0	0	113.2
25	N	28.8	Very low	26.7	Very low	165 Å²	165	134 Å²	134	88%	0.882	79%	0.787	S	S	*	*			trans	-73.1	144.5	174.9	-72.7	-38.2	0	0	0	112.3
26	Q	28.1	Very low	26.9	Very low	172 Å²	172	133.9 Å²	133.9	80%	0.804	79%	0.792	S	S	*	*				-172.3	124.9	114.7	-102.1	178.5	28.4	0	0	114.6
27	L	28	Very low	27.6	Very low	142 Å²	142	133.1 Å²	133.1	74%	0.743	79%	0.789	S	S	*	*			trans	58.6	136.1	135.8	-66.3	168.4	0	0	0	123.8
28	N	28.2	Very low	27.7	Very low	142 Å²	142	128.7 Å²	128.7	76%	0.759	79%	0.785	S	S	*	*			trans	102.2	107.4	137.4	-79.6	5.9	0	0	0	122.8
29	D	28.4	Very low	27.8	Very low	117 Å²	117	128 Å²	128	63%	0.626	78%	0.781	S	S	*	*				99.5	124.5	119.7	-147.4	21	0	0	0	120.8
30	K	29.9	Very low	27.8	Very low	180 Å²	180	123 Å²	123	78%	0.783	78%	0.777	S	S	*	*			trans	50.1	141	160.9	-70.9	147.1	-164.7	150.2	0	122.4
31	G	27.2	Very low	28	Very low	74 Å²	74	123.6 Å²	123.6	76%	0.763	77%	0.768	S	S	*	*			trans	150.8	75.5	141.4	0	0	0	0	0	119.4
32	T	27.9	Very low	28.3	Very low	137 Å²	137	126.6 Å²	126.6	84%	0.84	77%	0.766	S	S	*	*			trans	-5.7	151.6	149.7	50.5	0	0	0	0	122.2
33	A	28.6	Very low	28.4	Very low	90 Å²	90	127.4 Å²	127.4	74%	0.744	76%	0.761	S	S	*	*			trans	71.5	121	153.4	0	0	0	0	0	116.3
34	S	25.9	Very low	28.5	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	75%	0.753	S	S	*	*			cis	103.2	156.2	43.2	73.4	0	0	0	0	112.8
35	S	27.3	Very low	28.6	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	75%	0.75	S	S	*	*			trans	75.2	117.2	173	66	0	0	0	0	119.6
36	T	26.3	Very low	28.7	Very low	129 Å²	129	125 Å²	125	79%	0.791	74%	0.741	S	S	*	*			trans	-53.5	164.5	142.5	45.5	0	0	0	0	111.4
37	P	40.4	Very low	28.7	Very low	104 Å²	104	123.7 Å²	123.7	68%	0.675	74%	0.739	S	S	*	*			cis	-161.2	170.9	46.7	46.3	-23.8	0	0	0	121.5
38	T	27.2	Very low	28.8	Very low	110 Å²	110	121.1 Å²	121.1	68%	0.675	74%	0.738	S	S	*	*			trans	49.7	125.7	137.6	58.3	0	0	0	0	125.9
39	I	28.4	Very low	28.8	Very low	151 Å²	151	121.5 Å²	121.5	77%	0.774	74%	0.74	S	S	*	*				83.3	156.2	121.7	-66.6	170.5	0	0	0	120.4
40	S	26.3	Very low	28.8	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	75%	0.745	S	S	*	*			trans	81.7	148.6	173.3	65.9	0	0	0	0	116.7
41	S	28.7	Very low	29.4	Very low	91 Å²	91	117.6 Å²	117.6	64%	0.636	74%	0.742	S	S	*	*			cis	170.4	-175.6	-44.8	51.6	0	0	0	0	106.8
42	D	28.6	Very low	29.5	Very low	141 Å²	141	119.5 Å²	119.5	75%	0.754	74%	0.739	S	S	*	*			trans	74.5	142.5	168.3	-39.4	-5.2	0	0	0	113.9
43	D	28.1	Very low	29.5	Very low	137 Å²	137	120 Å²	120	73%	0.733	74%	0.736	S	S	*	*			cis	-155.2	175.9	-15.7	-137.7	-23.1	0	0	0	113.3
44	L	28.6	Very low	29.5	Very low	151 Å²	151	124.6 Å²	124.6	79%	0.791	74%	0.742	S	S	*	*			trans	-40.6	158.3	165.5	-66.2	159	0	0	0	114.9
45	S	29.3	Very low	29.6	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	74%	0.743	S	S	*	*			cis	-162.3	-157.8	8.4	37.4	0	0	0	0	108.2
46	D	30.6	Very low	29.7	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	75%	0.746	S	S	*	*			cis	-165.1	-175.4	13.9	-154.2	10.7	0	0	0	113.8
47	L	29.1	Very low	29.8	Very low	146 Å²	146	128.7 Å²	128.7	76%	0.764	74%	0.743	S	S	*	*			trans	-6.7	142.2	158.8	-67.3	167.6	0	0	0	119.4
48	A	29.6	Very low	29.4	Very low	87 Å²	87	127.8 Å²	127.8	72%	0.719	74%	0.744	S	S	*	*			cis	-157.4	-172.6	3.2	0	0	0	0	0	108.3
49	D	28.7	Very low	29.6	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	75%	0.753	S	S	*	*			cis	-148.5	-148	12.5	-156.3	-32.3	0	0	0	110
50	S	28.3	Very low	29.6	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	75%	0.753	S	S	*	*			trans	-154.9	-178.1	-171.5	-56.9	0	0	0	0	113.8
51	P	41.9	Very low	30.1	Very low	112 Å²	112	133 Å²	133	73%	0.727	76%	0.76	S	S	*	*			cis	-137.2	-169.2	-3.3	27.6	-1.6	0	0	0	116
52	V	29.2	Very low	30.2	Very low	114 Å²	114	134.9 Å²	134.9	69%	0.691	77%	0.767	S	S	*	*			trans	88.7	115.6	155.4	-165.5	0	0	0	0	119.1
53	D	27.9	Very low	30.2	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	77%	0.765	S	S	*	*			trans	42.3	150	149.4	-48.9	-21.7	0	0	0	121.3
54	E	28.9	Very low	30.6	Very low	188 Å²	188	135.5 Å²	135.5	88%	0.879	78%	0.775	S	S	*	*			cis	-143.4	147.6	12.4	-156.7	169.8	-145.2	0	0	109.9	A56	E54-A56 PolarHBondContact O-N 3.09Å
55	K	27.4	Very low	30.7	Very low	176 Å²	176	136.6 Å²	136.6	77%	0.765	78%	0.776	S	S	*	*			trans	-81	120.3	-175.4	-105.7	-167.3	171.4	-167.7	0	112.6	E57	K55-E57 HydrophobicContact CD-CG 4.24Å; K55-E57 WeakPolarHBondContact CE-OE1 3.45Å; K55-E57 IonicContact NZ-OE1 3.81Å; K55-E57 PolarHBondContact NZ-OE1 2.62Å
56	A	30.2	Very low	31.4	Very low	102 Å²	102	140 Å²	140	84%	0.843	78%	0.784	S	S	*	*			trans	-97.6	119.5	153.7	0	0	0	0	0	109.1	E54	E54-A56 PolarHBondContact O-N 3.09Å
57	E	28.9	Very low	31.5	Very low	155 Å²	155	139.5 Å²	139.5	72%	0.724	79%	0.791	S	S	*	*			trans	-104.4	139.8	170.2	-71	-174.5	164.1	0	0	109.7	K55	K55-E57 HydrophobicContact CD-CG 4.24Å; K55-E57 WeakPolarHBondContact CE-OE1 3.45Å; K55-E57 IonicContact NZ-OE1 3.81Å; K55-E57 PolarHBondContact NZ-OE1 2.62Å
58	A	30.6	Very low	32	Very low	85 Å²	85	136.6 Å²	136.6	70%	0.702	79%	0.788	S	S	*	*			trans	-113	158.8	-174.7	0	0	0	0	0	111.7
59	D	32	Very low	32.4	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	79%	0.789	S	S	*	*			trans	48.8	103.5	157.8	-56.3	-23	0	0	0	118.6
60	V	29.6	Very low	32.8	Very low	130 Å²	130	140.8 Å²	140.8	79%	0.788	79%	0.791	S	S	*	*			trans	-116.9	110.2	153.9	177.5	0	0	0	0	108	V62	V60-V62 HydrophobicContact CG1-CG2 4.38Å; V60-V62 PolarHBondContact O-N 3.31Å
61	E	35.2	Very low	33.4	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	80%	0.797	S	S	*	*			trans	-63.4	130.1	164.7	-72.1	-171.9	111.7	0	0	109.5
62	V	31.3	Very low	33.5	Very low	131 Å²	131	145.3 Å²	145.3	79%	0.794	80%	0.799	S	S	*	*			trans	-111.1	113.7	172.1	-175.3	0	0	0	0	108.6	V60	V60-V62 HydrophobicContact CG1-CG2 4.38Å; V60-V62 PolarHBondContact O-N 3.31Å
63	T	29.4	Very low	34.1	Very low	117 Å²	117	143.7 Å²	143.7	72%	0.718	79%	0.791	S	S	*	*			trans	-72	143.6	178.4	42.7	0	0	0	0	111.7	E65	T63-E65 PolarHBondContact O-N 2.79Å; T63-E65 VanDerWaalsContact O-N 3.07Å
64	N	35.5	Very low	35.2	Very low	173 Å²	173	145 Å²	145	93%	0.925	79%	0.792	S	S	*	*			trans	-68.9	102.8	174.6	-75.9	-48.9	0	0	0	111
65	E	31.5	Very low	36.3	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	78%	0.775	S	S	*	*			trans	-93.9	146	161.7	-68.1	-154.1	140.4	0	0	111.8	T63	T63-E65 PolarHBondContact O-N 2.79Å; T63-E65 VanDerWaalsContact O-N 3.07Å
66	I	44.1	Very low	38.1	Very low	170 Å²	170	137.1 Å²	137.1	87%	0.872	76%	0.763	S	S	*	*			trans	-80.4	126.6	-176	-61	163.2	0	0	0	108.8
67	S	31.4	Very low	39.5	Very low	121 Å²	121	138.2 Å²	138.2	85%	0.846	75%	0.754	S	S	*	*			trans	-151.1	109.7	172.9	-86.6	0	0	0	0	114.9
68	A	40.2	Very low	41.1	Very low	86 Å²	86	136.7 Å²	136.7	71%	0.711	75%	0.746	S	S	*	*			trans	-136.9	134.9	140.9	0	0	0	0	0	105.4
69	P	38.2	Very low	42.3	Very low	113 Å²	113	137.5 Å²	137.5	73%	0.734	74%	0.736	S	S	*	*	S	Bend		-147.4	20.6	87.7	39.5	-21.8	0	0	0	115.5
70	Y	37.1	Very low	43.9	Very low	212 Å²	212	133.3 Å²	133.3	83%	0.831	71%	0.713	S	S	*	*			trans	-137.5	75.9	177.5	-73.1	-74.1	0	0	0	112.7	V72	Y70-V72 PolarHBondContact O-N 3.42Å; Y70-V72 VanDerWaalsContact O-N 3.12Å
71	E	41.6	Very low	45.7	Very low	185 Å²	185	132.3 Å²	132.3	86%	0.864	70%	0.699	S	S	*	*			trans	-71.6	100.5	160.2	-72.7	-169.3	142.9	0	0	109.1
72	V	43.8	Very low	47.6	Very low	124 Å²	124	128.2 Å²	128.2	75%	0.752	68%	0.679	S	S	*	*			trans	-61.5	132.2	160.8	-178.9	0	0	0	0	107.1	Y70 Q74	Y70-V72 PolarHBondContact O-N 3.42Å; Y70-V72 VanDerWaalsContact O-N 3.12Å; V72-Q74 PolarHBondContact O-N 3.4Å
73	P	41.8	Very low	49.2	Very low	81 Å²	81	127.1 Å²	127.1	53%	0.526	66%	0.663	S	S	.	*			trans	-55.1	128	-176.1	-27.2	34.7	0	0	0	112.2	F75 I80	P73-F75 PolarHBondContact O-N 2.86Å; P73-I80 HydrophobicContact CB-CD1 3.99Å
74	Q	50.7	Low	51.2	Low	173 Å²	173	125.3 Å²	125.3	81%	0.808	65%	0.649	S	S	*	*	S	Bend	trans	-61.1	-6.5	178.8	-76.3	-176.1	-20.1	0	0	114.3	V72	V72-Q74 PolarHBondContact O-N 3.4Å
75	F	51.3	Low	53	Low	119 Å²	119	122.7 Å²	122.7	52%	0.522	63%	0.631	S	S	.	*	S	Bend	trans	-131.7	139	-178.5	-55.9	-76	0	0	0	109.8	P73 Q79	P73-F75 PolarHBondContact O-N 2.86Å; F75-Q79 HydrophobicContact CB-CB 4.34Å
76	P	65.1	Low	55	Low	80 Å²	80	118.8 Å²	118.8	52%	0.519	62%	0.615	S	S	.	*			trans	-53.5	146.7	174.9	-26.6	34.5	0	0	0	112.4	E78 Q79 I80	P76-E78 PolarHBondContact O-N 2.79Å; P76-E78 VanDerWaalsContact O-N 3.08Å; P76-Q79 WeakPolarHBondContact O-CB 3.36Å; P76-Q79 PolarHBondContact O-N 3.06Å; P76-I80 PolarHBondContact O-N 2.99Å
77	I	60.3	Low	56.2	Low	126 Å²	126	112.1 Å²	112.1	65%	0.646	58%	0.58	S	S	*	*	H	α-helix	trans	-51.2	-39.7	-178.5	-63.6	172.1	0	0	0	111.3	Q79 I80 E81	I77-Q79 VanDerWaalsContact C-N 3.28Å; I77-Q79 PolarHBondContact O-N 2.96Å; I77-I80 WeakPolarHBondContact O-CB 3.48Å; I77-I80 PolarHBondContact O-N 3.19Å; I77-I80 VanDerWaalsContact O-N 3.09Å; I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 PolarHBondContact O-N 2.85Å
78	E	61.8	Low	58.2	Low	122 Å²	122	113.9 Å²	113.9	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-57	-34.3	175.5	-61.9	-174.3	-160.3	0	0	114.7	P76 K82	P76-E78 PolarHBondContact O-N 2.79Å; P76-E78 VanDerWaalsContact O-N 3.08Å; E78-K82 VanDerWaalsContact O-CB 3.3Å; E78-K82 WeakPolarHBondContact O-CB 3.21Å; E78-K82 VanDerWaalsContact O-CD 3.28Å; E78-K82 WeakPolarHBondContact O-CD 3.43Å; E78-K82 WeakPolarHBondContact O-CG 3.42Å; E78-K82 PolarHBondContact O-N 3.28Å; E78-K82 IonicContact OE2-NZ 3.8Å; E78-K82 PolarHBondContact OE2-NZ 2.8Å
79	Q	57	Low	59.8	Low	102 Å²	102	114.5 Å²	114.5	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-73.6	-35.9	178.1	-66.3	-171.2	-4.6	0	0	110.9	F75 P76 I77 K82 K83	F75-Q79 HydrophobicContact CB-CB 4.34Å; P76-Q79 WeakPolarHBondContact O-CB 3.36Å; P76-Q79 PolarHBondContact O-N 3.06Å; I77-Q79 VanDerWaalsContact C-N 3.28Å; I77-Q79 PolarHBondContact O-N 2.96Å; Q79-K82 PolarHBondContact O-N 3.21Å; Q79-K83 WeakPolarHBondContact O-CB 3.3Å; Q79-K83 PolarHBondContact O-N 2.72Å
80	I	64.6	Low	61.6	Low	71 Å²	71	111.3 Å²	111.3	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-46.1	173.1	-57.7	174.7	0	0	0	109.4	P73 P76 I77 K82 K83 L84	P73-I80 HydrophobicContact CB-CD1 3.99Å; P76-I80 PolarHBondContact O-N 2.99Å; I77-I80 WeakPolarHBondContact O-CB 3.48Å; I77-I80 PolarHBondContact O-N 3.19Å; I77-I80 VanDerWaalsContact O-N 3.09Å; I80-K82 PolarHBondContact O-N 3.49Å; I80-K83 PolarHBondContact O-N 3.08Å; I80-L84 HydrophobicContact CG2-CD1 4.05Å; I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.19Å
81	E	68.8	Low	63.3	Low	108 Å²	108	103.5 Å²	103.5	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-60.8	-43.3	173.9	-70.8	-166.6	152.4	0	0	112.4	I77 L84 Q85	I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 PolarHBondContact O-N 2.85Å; E81-L84 CarbonylContact O-C 3.51Å; E81-L84 PolarHBondContact O-N 2.9Å; E81-Q85 WeakPolarHBondContact O-CB 3.43Å; E81-Q85 VanDerWaalsContact O-CG 3.28Å; E81-Q85 WeakPolarHBondContact O-CG 3.27Å; E81-Q85 PolarHBondContact O-N 3.49Å
82	K	73.4	Confident	64.6	Low	104 Å²	104	100 Å²	100	45%	0.452	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.1	-73.9	159.5	-172.1	157.1	0	111.6	E78 Q79 I80 L84 Q85 I86	E78-K82 VanDerWaalsContact O-CB 3.3Å; E78-K82 WeakPolarHBondContact O-CB 3.21Å; E78-K82 VanDerWaalsContact O-CD 3.28Å; E78-K82 WeakPolarHBondContact O-CD 3.43Å; E78-K82 WeakPolarHBondContact O-CG 3.42Å; E78-K82 PolarHBondContact O-N 3.28Å; E78-K82 IonicContact OE2-NZ 3.8Å; E78-K82 PolarHBondContact OE2-NZ 2.8Å; Q79-K82 PolarHBondContact O-N 3.21Å; I80-K82 PolarHBondContact O-N 3.49Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-L84 PolarHBondContact O-N 3.5Å; K82-Q85 PolarHBondContact O-N 3.36Å; K82-I86 VanDerWaalsContact O-CG1 3.29Å; K82-I86 WeakPolarHBondContact O-CG1 3.35Å; K82-I86 PolarHBondContact O-N 3.3Å
83	K	65.8	Low	65.7	Low	107 Å²	107	100.1 Å²	100.1	47%	0.465	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-39	174.2	-165.3	175.1	179	-179.4	0	111.2	Q79 I80 Q87 E311 L312	Q79-K83 WeakPolarHBondContact O-CB 3.3Å; Q79-K83 PolarHBondContact O-N 2.72Å; I80-K83 PolarHBondContact O-N 3.08Å; K83-Q87 WeakPolarHBondContact O-CB 3.28Å; K83-Q87 PolarHBondContact O-N 3.23Å; K83-E311 IonicContact NZ-OE2 3.86Å; K83-E311 PolarHBondContact NZ-OE2 2.67Å; K83-L312 HydrophobicContact CG-CD1 4.07Å
84	L	71.8	Confident	66.8	Low	79 Å²	79	99.5 Å²	99.5	41%	0.414	47%	0.469	S	S	.	.	H	α-helix	trans	-69.3	-38.8	175.2	-72.3	169.1	0	0	0	113.2	I80 E81 K82 Q87 R88	I80-L84 HydrophobicContact CG2-CD1 4.05Å; I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 VanDerWaalsContact O-CG 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.19Å; E81-L84 CarbonylContact O-C 3.51Å; E81-L84 PolarHBondContact O-N 2.9Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-L84 PolarHBondContact O-N 3.5Å; L84-Q87 PolarHBondContact O-N 3.18Å; L84-R88 WeakPolarHBondContact O-CG 3.33Å; L84-R88 PolarHBondContact O-N 2.7Å
85	Q	72.6	Confident	67.3	Low	118 Å²	118	95 Å²	95	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.5	-74.6	171.7	12.5	0	0	111.2	E81 K82 Q87 R88 H89	E81-Q85 WeakPolarHBondContact O-CB 3.43Å; E81-Q85 VanDerWaalsContact O-CG 3.28Å; E81-Q85 WeakPolarHBondContact O-CG 3.27Å; E81-Q85 PolarHBondContact O-N 3.49Å; K82-Q85 PolarHBondContact O-N 3.36Å; Q85-Q87 VanDerWaalsContact C-N 3.31Å; Q85-Q87 PolarHBondContact O-N 2.88Å; Q85-R88 PolarHBondContact O-N 3.35Å; Q85-H89 WeakPolarHBondContact O-CB 2.93Å; Q85-H89 PolarHBondContact O-N 2.65Å
86	I	73.8	Confident	67.4	Low	94 Å²	94	95 Å²	95	48%	0.482	47%	0.472	S	S	.	.	H	α-helix	trans	-58.8	-44.6	173	-68.4	165.6	0	0	0	110.2	K82 H89 L90 L312	K82-I86 VanDerWaalsContact O-CG1 3.29Å; K82-I86 WeakPolarHBondContact O-CG1 3.35Å; K82-I86 PolarHBondContact O-N 3.3Å; I86-H89 PolarHBondContact O-N 2.76Å; I86-L90 HydrophobicContact CG2-CD1 4.03Å; I86-L90 HydrophobicContact CG2-CG 4.5Å; I86-L90 WeakPolarHBondContact O-CG 3.36Å; I86-L90 PolarHBondContact O-N 2.84Å; I86-L312 HydrophobicContact CG2-CD1 4.36Å
87	Q	69.6	Low	66.8	Low	29 Å²	29	92.5 Å²	92.5	14%	0.136	46%	0.46	C	S	.	.	H	α-helix	trans	-63.5	-41.6	177.4	-168.6	179.7	42.8	0	0	112.8	K83 L84 Q85 L90 N91 L312 L315	K83-Q87 WeakPolarHBondContact O-CB 3.28Å; K83-Q87 PolarHBondContact O-N 3.23Å; L84-Q87 PolarHBondContact O-N 3.18Å; Q85-Q87 VanDerWaalsContact C-N 3.31Å; Q85-Q87 PolarHBondContact O-N 2.88Å; Q87-L90 PolarHBondContact O-N 2.58Å; Q87-N91 PolarHBondContact O-N 3.15Å; Q87-N91 PolarHBondContact O-ND2 2.9Å; Q87-N91 PolarHBondContact O-OD1 2.84Å; Q87-L312 HydrophobicContact CB-CD2 4.49Å; Q87-L312 HydrophobicContact CG-CD2 4.42Å; Q87-L315 VanDerWaalsContact NE2-CD2 3.32Å
88	R	73.6	Confident	66.1	Low	158 Å²	158	92.6 Å²	92.6	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-59.8	-49.6	175.3	-73.6	175.6	-171.9	-178	3.9	111.3	L84 Q85 L90 N91 E92	L84-R88 WeakPolarHBondContact O-CG 3.33Å; L84-R88 PolarHBondContact O-N 2.7Å; Q85-R88 PolarHBondContact O-N 3.35Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 2.92Å; R88-N91 WeakPolarHBondContact O-CB 3.21Å; R88-N91 PolarHBondContact O-N 3.47Å; R88-N91 VanDerWaalsContact O-N 3.15Å; R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 VanDerWaalsContact O-CG 3.3Å; R88-E92 WeakPolarHBondContact O-CG 3.41Å; R88-E92 PolarHBondContact O-N 3.41Å
89	H	73.5	Confident	65.4	Low	100 Å²	100	96.7 Å²	96.7	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-33.9	178.8	-169.2	174.3	0	0	0	112.5	Q85 I86 K93	Q85-H89 WeakPolarHBondContact O-CB 2.93Å; Q85-H89 PolarHBondContact O-N 2.65Å; I86-H89 PolarHBondContact O-N 2.76Å; H89-K93 WeakPolarHBondContact NE2-CE 3.16Å; H89-K93 PolarHBondContact NE2-NZ 3.47Å; H89-K93 WeakPolarHBondContact O-CB 3.21Å; H89-K93 WeakPolarHBondContact O-CG 3.4Å; H89-K93 PolarHBondContact O-N 3.18Å; H89-K93 VanDerWaalsContact O-N 3.1Å
90	L	75.1	Confident	64.8	Low	45 Å²	45	94.8 Å²	94.8	24%	0.236	48%	0.476	C	S	.	.	H	α-helix	trans	-67.5	-46.5	171.6	-74.8	171.3	0	0	0	112.1	I86 Q87 R88 E92 K93 Q94 L312 A316	I86-L90 HydrophobicContact CG2-CD1 4.03Å; I86-L90 HydrophobicContact CG2-CG 4.5Å; I86-L90 WeakPolarHBondContact O-CG 3.36Å; I86-L90 PolarHBondContact O-N 2.84Å; Q87-L90 PolarHBondContact O-N 2.58Å; R88-L90 VanDerWaalsContact C-N 3.31Å; R88-L90 PolarHBondContact O-N 2.92Å; L90-E92 PolarHBondContact O-N 3.09Å; L90-K93 PolarHBondContact O-N 3.03Å; L90-Q94 PolarHBondContact O-N 2.87Å; L90-Q94 VanDerWaalsContact O-N 3.08Å; L90-L312 HydrophobicContact CD1-CB 3.96Å; L90-A316 HydrophobicContact CB-CB 4.4Å
91	N	74.6	Confident	63.6	Low	48 Å²	48	96.5 Å²	96.5	26%	0.257	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-45.1	176.8	-60.9	-21.9	0	0	0	111.1	Q87 R88 Q94 A95 A316	Q87-N91 PolarHBondContact O-N 3.15Å; Q87-N91 PolarHBondContact O-ND2 2.9Å; Q87-N91 PolarHBondContact O-OD1 2.84Å; R88-N91 WeakPolarHBondContact O-CB 3.21Å; R88-N91 PolarHBondContact O-N 3.47Å; R88-N91 VanDerWaalsContact O-N 3.15Å; N91-Q94 PolarHBondContact O-N 3.4Å; N91-A95 VanDerWaalsContact O-CB 3.31Å; N91-A95 WeakPolarHBondContact O-CB 3.13Å; N91-A95 PolarHBondContact O-N 2.98Å; N91-A316 WeakPolarHBondContact OD1-CB 3.43Å
92	E	68.6	Low	62.3	Low	113 Å²	113	93.7 Å²	93.7	53%	0.528	49%	0.485	S	S	.	.	H	α-helix	trans	-59.3	-46.8	177.6	-74.5	159.9	-160.6	0	0	111.1	R88 L90 Q94 A95 T96	R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 VanDerWaalsContact O-CG 3.3Å; R88-E92 WeakPolarHBondContact O-CG 3.41Å; R88-E92 PolarHBondContact O-N 3.41Å; L90-E92 PolarHBondContact O-N 3.09Å; E92-Q94 PolarHBondContact O-N 3.36Å; E92-A95 PolarHBondContact O-N 3.4Å; E92-T96 WeakPolarHBondContact O-CG2 3.39Å; E92-T96 PolarHBondContact O-N 3.41Å; E92-T96 PolarHBondContact O-OG1 3.42Å
93	K	67.3	Low	60.7	Low	125 Å²	125	91.7 Å²	91.7	54%	0.543	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-40	177.1	-85	172.1	166.1	159.1	0	113.4	H89 L90 T96 G97	H89-K93 WeakPolarHBondContact NE2-CE 3.16Å; H89-K93 PolarHBondContact NE2-NZ 3.47Å; H89-K93 WeakPolarHBondContact O-CB 3.21Å; H89-K93 WeakPolarHBondContact O-CG 3.4Å; H89-K93 PolarHBondContact O-N 3.18Å; H89-K93 VanDerWaalsContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.03Å; K93-T96 PolarHBondContact O-OG1 3.22Å; K93-T96 VanDerWaalsContact O-OG1 3.11Å; K93-G97 PolarHBondContact O-N 3Å; K93-G97 VanDerWaalsContact O-N 3.13Å
94	Q	64.4	Low	59.3	Low	69 Å²	69	89.7 Å²	89.7	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-73.5	-35	175.3	-76.9	178.3	-19.8	0	0	112.5	L90 N91 E92 T96 G97 A316 A320	L90-Q94 PolarHBondContact O-N 2.87Å; L90-Q94 VanDerWaalsContact O-N 3.08Å; N91-Q94 PolarHBondContact O-N 3.4Å; E92-Q94 PolarHBondContact O-N 3.36Å; Q94-T96 VanDerWaalsContact C-N 3.29Å; Q94-T96 PolarHBondContact O-N 2.88Å; Q94-G97 PolarHBondContact O-N 2.87Å; Q94-A316 PolarHBondContact OE1-O 2.92Å; Q94-A320 HydrophobicContact CB-CB 4.42Å
95	A	60.3	Low	57.4	Low	79 Å²	79	89 Å²	89	65%	0.653	49%	0.49	S	S	*	.	H	α-helix	trans	-67.4	-27.8	174.8	0	0	0	0	0	113.3	N91 E92	N91-A95 VanDerWaalsContact O-CB 3.31Å; N91-A95 WeakPolarHBondContact O-CB 3.13Å; N91-A95 PolarHBondContact O-N 2.98Å; E92-A95 PolarHBondContact O-N 3.4Å
96	T	54.1	Low	55.8	Low	119 Å²	119	88.9 Å²	88.9	73%	0.73	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.9	174.2	54.7	0	0	0	0	114.6	E92 K93 Q94	E92-T96 WeakPolarHBondContact O-CG2 3.39Å; E92-T96 PolarHBondContact O-N 3.41Å; E92-T96 PolarHBondContact O-OG1 3.42Å; K93-T96 PolarHBondContact O-OG1 3.22Å; K93-T96 VanDerWaalsContact O-OG1 3.11Å; Q94-T96 VanDerWaalsContact C-N 3.29Å; Q94-T96 PolarHBondContact O-N 2.88Å
97	G	51.9	Low	53.8	Low	27 Å²	27	91.8 Å²	91.8	28%	0.278	51%	0.513	S	S	.	.	S	Bend	trans	-72.4	166.3	175.5	0	0	0	0	0	112.6	K93 Q94 R99	K93-G97 PolarHBondContact O-N 3Å; K93-G97 VanDerWaalsContact O-N 3.13Å; Q94-G97 PolarHBondContact O-N 2.87Å; G97-R99 PolarHBondContact O-N 2.93Å; G97-R99 VanDerWaalsContact O-N 3.11Å
98	P	46.5	Very low	51.9	Low	128 Å²	128	94.5 Å²	94.5	83%	0.831	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60	117.9	169.2	26.7	-33.1	0	0	0	109
99	R	45.8	Very low	50	Low	208 Å²	208	92.5 Å²	92.5	79%	0.785	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-52.8	146.3	178.2	-68.3	-179.9	177.8	173.7	-1.2	110.2	G97 V101	G97-R99 PolarHBondContact O-N 2.93Å; G97-R99 VanDerWaalsContact O-N 3.11Å; R99-V101 PolarHBondContact O-N 3Å
100	P	44.3	Very low	48	Very low	61 Å²	61	95.1 Å²	95.1	40%	0.396	56%	0.563	S	S	.	*			trans	-60.6	102	172.9	25	-32.9	0	0	0	109.6	A102	P100-A102 PolarHBondContact O-N 2.97Å
101	V	39.7	Very low	46	Very low	108 Å²	108	104.1 Å²	104.1	66%	0.655	59%	0.594	S	S	*	*			trans	-70	127.3	174.8	-178.8	0	0	0	0	107.6	R99 T103	R99-V101 PolarHBondContact O-N 3Å; V101-T103 PolarHBondContact O-N 3.32Å
102	A	41.2	Very low	43.8	Very low	49 Å²	49	111.4 Å²	111.4	41%	0.405	63%	0.627	S	S	.	*			trans	-60.5	131.1	179.6	0	0	0	0	0	110.9	P100 A104 A105	P100-A102 PolarHBondContact O-N 2.97Å; A102-A104 HydrophobicContact CB-CB 4.38Å; A102-A104 PolarHBondContact O-N 2.93Å; A102-A105 PolarHBondContact O-N 3.17Å; A102-A105 VanDerWaalsContact O-N 3.11Å
103	T	40.7	Very low	42	Very low	62 Å²	62	110.9 Å²	110.9	38%	0.38	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-55.8	-19.5	176	43.8	0	0	0	0	113.4	V101 A105 V106	V101-T103 PolarHBondContact O-N 3.32Å; T103-A105 PolarHBondContact O-N 2.89Å; T103-A105 VanDerWaalsContact O-N 3.12Å; T103-V106 PolarHBondContact O-N 3.18Å
104	A	36.1	Very low	40.3	Very low	65 Å²	65	110 Å²	110	54%	0.537	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-54.9	-23.1	172.7	0	0	0	0	0	115.1	A102 V106	A102-A104 HydrophobicContact CB-CB 4.38Å; A102-A104 PolarHBondContact O-N 2.93Å; A104-V106 VanDerWaalsContact C-N 3.3Å; A104-V106 PolarHBondContact O-N 3.05Å
105	A	33	Very low	38.5	Very low	64 Å²	64	112.2 Å²	112.2	53%	0.529	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-70.3	-21.6	-178.9	0	0	0	0	0	114.3	A102 T103 L107	A102-A105 PolarHBondContact O-N 3.17Å; A102-A105 VanDerWaalsContact O-N 3.11Å; T103-A105 PolarHBondContact O-N 2.89Å; T103-A105 VanDerWaalsContact O-N 3.12Å; A105-L107 PolarHBondContact O-N 3.5Å
106	V	37.6	Very low	37	Very low	115 Å²	115	113.3 Å²	113.3	70%	0.697	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-77.5	-22	-168.6	-176.9	0	0	0	0	113.4	T103 A104	T103-V106 PolarHBondContact O-N 3.18Å; A104-V106 VanDerWaalsContact C-N 3.3Å; A104-V106 PolarHBondContact O-N 3.05Å
107	L	32.1	Very low	36	Very low	155 Å²	155	113.8 Å²	113.8	81%	0.812	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-95	-3.2	-173	-74.7	166.2	0	0	0	115	A105	A105-L107 PolarHBondContact O-N 3.5Å
108	A	30.6	Very low	34.9	Very low	87 Å²	87	121.6 Å²	121.6	72%	0.719	70%	0.703	S	S	*	*	S	Bend	trans	-87.5	-12.2	-171.2	0	0	0	0	0	115.2
109	T	32.9	Very low	34.1	Very low	115 Å²	115	119.2 Å²	119.2	71%	0.706	70%	0.702	S	S	*	*	S	Bend	trans	-92.4	-11.8	-165.7	44.1	0	0	0	0	115.7	R111	T109-R111 VanDerWaalsContact C-N 3.35Å; T109-R111 PolarHBondContact O-N 3.26Å
110	N	32.3	Very low	33.4	Very low	156 Å²	156	121 Å²	121	83%	0.834	71%	0.709	S	S	*	*	S	Bend	trans	-92	49.4	-176.2	-81.2	-23.1	0	0	0	113.9
111	R	33	Very low	32.7	Very low	233 Å²	233	127 Å²	127	88%	0.879	73%	0.732	S	S	*	*			trans	-164.4	89.4	165.8	-110.6	174.4	-165	-168	4.5	112.3	T109	T109-R111 VanDerWaalsContact C-N 3.35Å; T109-R111 PolarHBondContact O-N 3.26Å
112	E	28.3	Very low	32.1	Very low	201 Å²	201	127 Å²	127	94%	0.939	74%	0.736	S	S	*	*				178.4	170.9	128.5	-99.9	173.7	-157.1	0	0	111.3
113	S	29.4	Very low	31.7	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	75%	0.754	S	S	*	*			trans	-113.8	129	-160.7	54.6	0	0	0	0	115
114	S	31.8	Very low	31.2	Very low	108 Å²	108	131.8 Å²	131.8	76%	0.755	77%	0.77	S	S	*	*			trans	52.3	109.2	147.9	61.7	0	0	0	0	119.9
115	S	27.6	Very low	31.1	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	78%	0.782	S	S	*	*				-175.2	154.3	117.2	35.7	0	0	0	0	113.9
116	S	28.9	Very low	31.2	Very low	101 Å²	101	139 Å²	139	71%	0.706	79%	0.792	S	S	*	*			trans	46.9	100.7	159	54.4	0	0	0	0	121.7
117	T	32.4	Very low	31.3	Very low	129 Å²	129	141.3 Å²	141.3	79%	0.791	80%	0.796	S	S	*	*				57.5	140.7	122.5	-10.6	0	0	0	0	123.4
118	E	29.4	Very low	32.2	Very low	191 Å²	191	140.1 Å²	140.1	89%	0.893	78%	0.78	S	S	*	*			trans	77.9	151.2	164.7	-53.1	-166.1	174.6	0	0	118.1
119	G	28.1	Very low	33.2	Very low	79 Å²	79	140.7 Å²	140.7	81%	0.814	77%	0.771	S	S	*	*			trans	95.1	85.1	-177.1	0	0	0	0	0	114.9	E121	G119-E121 PolarHBondContact O-N 2.9Å
120	R	32.4	Very low	34.2	Very low	245 Å²	245	137.1 Å²	137.1	93%	0.925	75%	0.748	S	S	*	*			trans	-99.8	70.5	178.4	-162.9	-174.4	-166	178.9	5.2	112.1
121	E	28.4	Very low	35.3	Very low	188 Å²	188	133.2 Å²	133.2	88%	0.879	74%	0.737	S	S	*	*			trans	-98.5	120.1	165.2	-69.3	-162.4	148	0	0	110.5	G119 A123	G119-E121 PolarHBondContact O-N 2.9Å; E121-A123 PolarHBondContact O-N 3.16Å
122	S	27.6	Very low	36.7	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	72%	0.721	S	S	*	*			trans	-77.2	92.7	177.9	-67.4	0	0	0	0	110.3	V124	S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.36Å
123	A	32.8	Very low	39.1	Very low	95 Å²	95	118.6 Å²	118.6	79%	0.785	68%	0.683	S	S	*	*			trans	-64.8	88	169.9	0	0	0	0	0	110.4	E121 T125	E121-A123 PolarHBondContact O-N 3.16Å; A123-T125 PolarHBondContact O-N 3.2Å
124	V	29.9	Very low	41.6	Very low	117 Å²	117	119.9 Å²	119.9	71%	0.709	68%	0.682	S	S	*	*			trans	-69.6	101.3	174.3	-179.2	0	0	0	0	108.4	S122 M126	S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.36Å; V124-M126 VanDerWaalsContact C-N 3.26Å; V124-M126 HydrophobicContact CG1-CG 3.94Å; V124-M126 PolarHBondContact O-N 3.25Å
125	T	34.6	Very low	44.4	Very low	129 Å²	129	115.5 Å²	115.5	79%	0.791	65%	0.649	S	S	*	*			trans	-68.1	87	166.2	48.8	0	0	0	0	108.9	A123 E127	A123-T125 PolarHBondContact O-N 3.2Å; T125-E127 PolarHBondContact O-N 3.49Å; T125-E127 VanDerWaalsContact O-N 3.11Å
126	M	35	Very low	47.4	Very low	151 Å²	151	114.2 Å²	114.2	74%	0.744	63%	0.63	S	S	*	*			trans	-66.6	107.3	168.4	-65.3	-174.5	74.9	0	0	108.6	V124 R128	V124-M126 VanDerWaalsContact C-N 3.26Å; V124-M126 HydrophobicContact CG1-CG 3.94Å; V124-M126 PolarHBondContact O-N 3.25Å; M126-R128 PolarHBondContact O-N 2.68Å
127	E	39.4	Very low	50.2	Low	165 Å²	165	113.9 Å²	113.9	77%	0.771	61%	0.614	S	S	*	*			trans	-57.5	116.5	160.4	-64	179.4	144.3	0	0	107.3	T125 N129	T125-E127 PolarHBondContact O-N 3.49Å; T125-E127 VanDerWaalsContact O-N 3.11Å; E127-N129 PolarHBondContact O-N 3.32Å; E127-N129 PolarHBondContact O-ND2 3.45Å
128	R	50.7	Low	52.8	Low	129 Å²	129	110.3 Å²	110.3	49%	0.487	59%	0.592	S	S	.	*			trans	-73.1	106.9	177.1	-68.9	-177.3	176.8	-162.9	-2.5	108.1	M126 E754	M126-R128 PolarHBondContact O-N 2.68Å; R128-E754 IonicContact NH1-OE1 3.15Å
129	N	51.8	Low	55.1	Low	99 Å²	99	106.5 Å²	106.5	53%	0.529	59%	0.586	S	S	.	*			trans	-82.4	151.7	173.2	-71.7	-77.2	0	0	0	109.6	E127 A131 D132	E127-N129 PolarHBondContact O-N 3.32Å; E127-N129 PolarHBondContact O-ND2 3.45Å; N129-A131 PolarHBondContact O-N 3.16Å; N129-A131 VanDerWaalsContact O-N 3.1Å; N129-D132 PolarHBondContact N-OD2 3.08Å; N129-D132 WeakPolarHBondContact O-CB 3.4Å; N129-D132 PolarHBondContact O-N 2.95Å
130	D	54.5	Low	57.4	Low	41 Å²	41	107.7 Å²	107.7	22%	0.219	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-56.8	-32.9	179.6	-57.8	-71.3	0	0	0	111.7	D132 I133 R137 I742 Y761	D130-D132 PolarHBondContact O-N 2.92Å; D130-I133 PolarHBondContact O-N 2.99Å; D130-R137 PolarHBondContact O-NH2 2.98Å; D130-I742 HydrophobicContact CB-CD1 3.81Å; D130-I742 WeakPolarHBondContact OD1-CB 3.41Å; D130-I742 VanDerWaalsContact OD1-CD1 3.22Å; D130-I742 WeakPolarHBondContact OD1-CD1 3.4Å; D130-I742 WeakPolarHBondContact OD1-CG1 3.27Å; D130-I742 PolarHBondContact OD1-N 2.9Å; D130-I742 VanDerWaalsContact OD1-N 3.07Å; D130-Y761 WeakPolarHBondContact OD2-CE1 3.36Å
131	A	55.7	Low	59.3	Low	73 Å²	73	101.3 Å²	101.3	60%	0.603	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-57.2	-29.4	175	0	0	0	0	0	114.6	N129 I133	N129-A131 PolarHBondContact O-N 3.16Å; N129-A131 VanDerWaalsContact O-N 3.1Å; A131-I133 PolarHBondContact O-N 3.24Å
132	D	61.3	Low	61	Low	101 Å²	101	95.2 Å²	95.2	54%	0.54	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-72.5	-12.4	-174.5	-62.4	-43.7	0	0	0	113.1	N129 D130 N134	N129-D132 PolarHBondContact N-OD2 3.08Å; N129-D132 WeakPolarHBondContact O-CB 3.4Å; N129-D132 PolarHBondContact O-N 2.95Å; D130-D132 PolarHBondContact O-N 2.92Å; D132-N134 PolarHBondContact O-N 2.75Å
133	I	78.5	Confident	62.4	Low	27 Å²	27	99.5 Å²	99.5	14%	0.138	56%	0.561	C	S	.	*	S	Bend	trans	-75.7	122.3	-179.6	-55.5	-142.6	0	0	0	111.4	D130 A131 F135 R137 I742 E754 I755	D130-I133 PolarHBondContact O-N 2.99Å; A131-I133 PolarHBondContact O-N 3.24Å; I133-F135 HydrophobicContact CB-CD1 4.33Å; I133-F135 HydrophobicContact CG2-CD1 3.98Å; I133-F135 PolarHBondContact O-N 2.55Å; I133-R137 PolarHBondContact O-NH1 2.89Å; I133-I742 HydrophobicContact CD1-CD1 3.37Å; I133-I742 HydrophobicContact CD1-CG1 4.09Å; I133-I742 HydrophobicContact CD1-CG2 4.21Å; I133-I742 HydrophobicContact CG1-CD1 3.65Å; I133-E754 HydrophobicContact CD1-CB 3.29Å; I133-E754 HydrophobicContact CD1-CG 4.29Å; I133-E754 WeakPolarHBondContact CD1-OE2 3.37Å; I133-I755 HydrophobicContact CG2-CG1 3.77Å
134	N	82.9	Confident	63.9	Low	129 Å²	129	101.1 Å²	101.1	69%	0.69	56%	0.557	S	S	*	*			trans	-79.1	82.2	-179.9	-171.6	-19.4	0	0	0	111.9	D132 R313	D132-N134 PolarHBondContact O-N 2.75Å; N134-R313 PolarHBondContact O-NH1 2.87Å; N134-R313 PolarHBondContact OD1-NH1 3.23Å
135	F	90.6	Very high	65.4	Low	15 Å²	15	99 Å²	99	7%	0.066	54%	0.544	C	S	.	.	S	Bend	trans	-130	163.7	166.4	78.9	-84.5	0	0	0	111.3	I133 R137 I755 A758	I133-F135 HydrophobicContact CB-CD1 4.33Å; I133-F135 HydrophobicContact CG2-CD1 3.98Å; I133-F135 PolarHBondContact O-N 2.55Å; F135-R137 HydrophobicContact CD2-CG 4.14Å; F135-R137 HydrophobicContact CE1-CG 4.06Å; F135-R137 VanDerWaalsContact CE1-NH2 3.34Å; F135-R137 HydrophobicContact CE2-CG 3.6Å; F135-R137 HydrophobicContact CZ-CG 3.56Å; F135-R137 PolarHBondContact O-N 2.94Å; F135-I755 HydrophobicContact CB-CB 4.44Å; F135-I755 HydrophobicContact CB-CD1 4.3Å; F135-I755 HydrophobicContact CB-CG1 4.12Å; F135-I755 HydrophobicContact CB-CG2 3.68Å; F135-I755 HydrophobicContact CD1-CG2 4.37Å; F135-I755 HydrophobicContact CD2-CG2 4.15Å; F135-I755 HydrophobicContact CG-CG2 3.85Å; F135-A758 HydrophobicContact CD1-CB 4.43Å; F135-A758 HydrophobicContact CE1-CB 3.54Å; F135-A758 HydrophobicContact CZ-CB 4.01Å
136	Q	89.8	Confident	66.8	Low	89 Å²	89	93.4 Å²	93.4	42%	0.416	51%	0.51	S	S	.	.			trans	-82.7	102.9	-180	-76.2	174.7	-25.7	0	0	109.6	L309 N310	Q136-L309 HydrophobicContact CB-CB 3.98Å; Q136-L309 HydrophobicContact CB-CD1 4.35Å; Q136-L309 PolarHBondContact OE1-O 3.16Å; Q136-N310 PolarHBondContact N-OD1 2.89Å; Q136-N310 PolarHBondContact O-ND2 2.86Å
137	R	89.4	Confident	68.3	Low	94 Å²	94	88.1 Å²	88.1	36%	0.355	50%	0.495	S	S	.	.			trans	-82.2	147	175.7	-68.9	174.8	174.2	93	-7.1	111	D130 I133 F135 E762	D130-R137 PolarHBondContact O-NH2 2.98Å; I133-R137 PolarHBondContact O-NH1 2.89Å; F135-R137 HydrophobicContact CD2-CG 4.14Å; F135-R137 HydrophobicContact CE1-CG 4.06Å; F135-R137 VanDerWaalsContact CE1-NH2 3.34Å; F135-R137 HydrophobicContact CE2-CG 3.6Å; F135-R137 HydrophobicContact CZ-CG 3.56Å; F135-R137 PolarHBondContact O-N 2.94Å; R137-E762 WeakPolarHBondContact CD-OE2 3.49Å; R137-E762 IonicContact CZ-OE1 2.64Å; R137-E762 VanDerWaalsContact CZ-OE1 3.23Å; R137-E762 IonicContact CZ-OE2 2.62Å; R137-E762 VanDerWaalsContact NE-CD 3.29Å; R137-E762 IonicContact NE-OE1 2.71Å; R137-E762 PolarHBondContact NE-OE1 3.09Å; R137-E762 IonicContact NE-OE2 2.71Å; R137-E762 PolarHBondContact NE-OE2 3.26Å; R137-E762 IonicContact NH2-OE1 3.67Å; R137-E762 PolarHBondContact NH2-OE1 3.49Å
138	V	85.5	Confident	69.9	Low	54 Å²	54	81 Å²	81	33%	0.327	46%	0.462	S	S	.	.			trans	-106.5	101.4	175.3	-178.2	0	0	0	0	108.5	M305 L309	V138-M305 HydrophobicContact CG2-CB 4.31Å; V138-M305 HydrophobicContact CG2-CG 3.65Å; V138-L309 HydrophobicContact CG2-CD1 3.67Å
139	S	79.3	Confident	71.2	Confident	110 Å²	110	78.4 Å²	78.4	77%	0.769	46%	0.462	S	S	*	.			trans	-92.7	129.5	173.5	55.7	0	0	0	0	110.7
140	I	75.4	Confident	72.5	Confident	104 Å²	104	79.2 Å²	79.2	53%	0.533	47%	0.466	S	S	.	.			trans	-99.4	127.1	170.6	-63.7	-180	0	0	0	108.5	Y298	I140-Y298 HydrophobicContact CD1-CD2 4.28Å; I140-Y298 HydrophobicContact CD1-CE2 3.55Å
141	S	71.6	Confident	73.6	Confident	112 Å²	112	85 Å²	85	78%	0.783	49%	0.492	S	S	*	.			trans	-128.9	131.9	-178.5	58.3	0	0	0	0	110.8
142	G	65.4	Low	74.8	Confident	59 Å²	59	84.8 Å²	84.8	61%	0.608	48%	0.48	S	S	*	.	S	Bend	trans	165.3	-177.1	-179.3	0	0	0	0	0	109.4	T145	G142-T145 WeakPolarHBondContact O-CG2 3.33Å
143	E	57.1	Low	75.9	Confident	197 Å²	197	80.4 Å²	80.4	92%	0.921	46%	0.457	S	S	*	.	S	Bend	trans	-80.5	-50.3	176.3	-64.1	176.7	166	0	0	110.1	T145	E143-T145 VanDerWaalsContact C-N 3.34Å; E143-T145 PolarHBondContact O-N 3.28Å
144	D	63	Low	76.3	Confident	129 Å²	129	82.5 Å²	82.5	69%	0.69	47%	0.466	S	S	*	.			trans	-83.2	53.9	178.7	-76.8	-41.1	0	0	0	114.9	S146 G147	D144-S146 PolarHBondContact O-N 2.99Å; D144-G147 PolarHBondContact O-N 2.83Å
145	T	62.1	Low	76.5	Confident	72 Å²	72	82.3 Å²	82.3	44%	0.442	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.1	177.6	55.7	0	0	0	0	114.6	G142 E143 R295	G142-T145 WeakPolarHBondContact O-CG2 3.33Å; E143-T145 VanDerWaalsContact C-N 3.34Å; E143-T145 PolarHBondContact O-N 3.28Å; T145-R295 PolarHBondContact O-NH1 3.2Å
146	S	64.1	Low	76.6	Confident	11 Å²	11	81.7 Å²	81.7	8%	0.077	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-32.2	176.2	60	0	0	0	0	113.1	D144 V148 R295	D144-S146 PolarHBondContact O-N 2.99Å; S146-V148 VanDerWaalsContact C-N 3.29Å; S146-V148 PolarHBondContact OG-N 3.1Å; S146-V148 VanDerWaalsContact OG-N 3.15Å; S146-V148 PolarHBondContact OG-O 2.83Å; S146-R295 PolarHBondContact O-NH1 2.79Å
147	G	66.3	Low	76.6	Confident	41 Å²	41	77.5 Å²	77.5	42%	0.423	43%	0.434	S	S	.	.	S	Bend	trans	68.9	19.6	-166	0	0	0	0	0	114.6	D144 R294	D144-G147 PolarHBondContact O-N 2.83Å; G147-R294 PolarHBondContact O-NH1 2.82Å
148	V	72.5	Confident	76.7	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	43%	0.43	C	S	.	.	S	Bend	trans	-149	153.8	176.7	-72.6	0	0	0	0	111	S146 D152 L153 F291	S146-V148 VanDerWaalsContact C-N 3.29Å; S146-V148 PolarHBondContact OG-N 3.1Å; S146-V148 VanDerWaalsContact OG-N 3.15Å; S146-V148 PolarHBondContact OG-O 2.83Å; V148-D152 HydrophobicContact CB-CB 4.42Å; V148-L153 HydrophobicContact CG2-CB 4.05Å; V148-L153 HydrophobicContact CG2-CD1 4.2Å; V148-F291 HydrophobicContact CG1-CD2 4.19Å; V148-F291 HydrophobicContact CG2-CD2 3.68Å; V148-F291 HydrophobicContact CG2-CE2 3.88Å
149	P	77.9	Confident	77.1	Confident	75 Å²	75	74.3 Å²	74.3	49%	0.487	42%	0.423	S	S	.	.			trans	-53.1	151.4	172.7	-25.2	34.6	0	0	0	113.1	E151 D152 L153	P149-E151 VanDerWaalsContact C-N 3.31Å; P149-E151 PolarHBondContact O-N 2.75Å; P149-D152 HydrophobicContact CB-CB 4.5Å; P149-D152 PolarHBondContact O-N 3.05Å; P149-L153 PolarHBondContact O-N 2.85Å
150	L	79.1	Confident	78	Confident	117 Å²	117	69.1 Å²	69.1	61%	0.613	39%	0.387	S	S	*	.	H	α-helix	trans	-60.6	-37.5	-177.4	-175.2	60.8	0	0	0	112.9	L153 E154 V774	L150-L153 HydrophobicContact CD1-CD2 4.39Å; L150-L153 WeakPolarHBondContact O-CB 3.41Å; L150-L153 PolarHBondContact O-N 2.94Å; L150-E154 WeakPolarHBondContact O-CB 3.39Å; L150-E154 PolarHBondContact O-N 3Å; L150-V774 HydrophobicContact CD1-CG1 4.14Å
151	E	77.9	Confident	78.9	Confident	162 Å²	162	64.1 Å²	64.1	76%	0.757	36%	0.361	S	S	*	.	H	α-helix	trans	-65.6	-43.5	177.4	-61.4	177.1	-171	0	0	112.2	P149 L153 E154 R155	P149-E151 VanDerWaalsContact C-N 3.31Å; P149-E151 PolarHBondContact O-N 2.75Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.45Å; E151-E154 PolarHBondContact O-N 3.3Å; E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 3.19Å
152	D	80.9	Confident	80	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-38.9	174	-82.7	-35.5	0	0	0	111	V148 P149 A156	V148-D152 HydrophobicContact CB-CB 4.42Å; P149-D152 HydrophobicContact CB-CB 4.5Å; P149-D152 PolarHBondContact O-N 3.05Å; D152-A156 WeakPolarHBondContact O-CB 3.49Å; D152-A156 PolarHBondContact O-N 3.26Å
153	L	84.9	Confident	81.5	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-42.9	177.3	-175.7	66.6	0	0	0	112.3	V148 P149 L150 E151 S157 F291 V774	V148-L153 HydrophobicContact CG2-CB 4.05Å; V148-L153 HydrophobicContact CG2-CD1 4.2Å; P149-L153 PolarHBondContact O-N 2.85Å; L150-L153 HydrophobicContact CD1-CD2 4.39Å; L150-L153 WeakPolarHBondContact O-CB 3.41Å; L150-L153 PolarHBondContact O-N 2.94Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.45Å; L153-S157 WeakPolarHBondContact O-CB 3.34Å; L153-S157 PolarHBondContact O-N 3.46Å; L153-S157 PolarHBondContact O-OG 2.76Å; L153-F291 HydrophobicContact CD1-CD2 4.42Å; L153-F291 HydrophobicContact CD1-CE2 3.44Å; L153-F291 VanDerWaalsContact CD1-CE2 3.44Å; L153-F291 HydrophobicContact CD1-CZ 3.63Å; L153-V774 HydrophobicContact CD2-CG2 3.57Å; L153-V774 HydrophobicContact CG-CG2 3.93Å
154	E	85.9	Confident	83.4	Confident	70 Å²	70	50.3 Å²	50.3	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-45.9	177.3	-176.6	172.9	-152.2	0	0	111.4	L150 E151 S157 T158 V774 C778	L150-E154 WeakPolarHBondContact O-CB 3.39Å; L150-E154 PolarHBondContact O-N 3Å; E151-E154 PolarHBondContact O-N 3.3Å; E154-S157 PolarHBondContact O-N 3.23Å; E154-T158 WeakPolarHBondContact O-CB 3.29Å; E154-T158 PolarHBondContact O-N 3.3Å; E154-T158 PolarHBondContact O-OG1 3.3Å; E154-V774 HydrophobicContact CB-CG1 3.8Å; E154-V774 HydrophobicContact CG-CG1 4.14Å; E154-C778 WeakPolarHBondContact OE1-CB 3.21Å; E154-C778 PolarHBondContact OE1-SG 3.11Å
155	R	88	Confident	85	Confident	126 Å²	126	48.6 Å²	48.6	48%	0.475	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-51.2	173.9	175.4	-179.4	172.7	161	-0.6	111.6	E151 S157 T158 L159 D285	E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 3.19Å; R155-S157 VanDerWaalsContact C-N 3.34Å; R155-S157 PolarHBondContact O-N 2.82Å; R155-T158 PolarHBondContact O-N 3.03Å; R155-L159 HydrophobicContact CG-CD1 4.27Å; R155-L159 WeakPolarHBondContact O-CG 3.43Å; R155-L159 PolarHBondContact O-N 3.35Å; R155-L159 VanDerWaalsContact O-N 3.11Å; R155-D285 IonicContact CZ-OD2 3.79Å; R155-D285 IonicContact NE-OD2 3.69Å; R155-D285 IonicContact NH2-OD1 3.97Å; R155-D285 IonicContact NH2-OD2 2.68Å; R155-D285 PolarHBondContact NH2-OD2 3.29Å
156	A	91.7	Very high	86.6	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-42.3	-179	0	0	0	0	0	111.5	D152 T158 L159 L160 L288 F291	D152-A156 WeakPolarHBondContact O-CB 3.49Å; D152-A156 PolarHBondContact O-N 3.26Å; A156-T158 PolarHBondContact O-N 3.07Å; A156-L159 PolarHBondContact O-N 3.49Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.48Å; A156-L160 PolarHBondContact O-N 3.04Å; A156-L288 HydrophobicContact CB-CD1 3.91Å; A156-F291 HydrophobicContact CB-CB 4.16Å; A156-F291 HydrophobicContact CB-CD1 3.64Å; A156-F291 HydrophobicContact CB-CE1 4.16Å; A156-F291 HydrophobicContact CB-CG 3.86Å
157	S	91.3	Very high	88.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.4	-61.3	0	0	0	0	112.2	L153 E154 R155 L160 I161 I771	L153-S157 WeakPolarHBondContact O-CB 3.34Å; L153-S157 PolarHBondContact O-N 3.46Å; L153-S157 PolarHBondContact O-OG 2.76Å; E154-S157 PolarHBondContact O-N 3.23Å; R155-S157 VanDerWaalsContact C-N 3.34Å; R155-S157 PolarHBondContact O-N 2.82Å; S157-L160 PolarHBondContact O-N 2.9Å; S157-I161 WeakPolarHBondContact O-CB 3.42Å; S157-I161 WeakPolarHBondContact O-CD1 3.48Å; S157-I161 WeakPolarHBondContact O-CG1 3.22Å; S157-I161 PolarHBondContact O-N 3.37Å; S157-I771 VanDerWaalsContact CB-O 3.3Å; S157-I771 WeakPolarHBondContact CB-O 3.39Å; S157-I771 PolarHBondContact OG-O 2.86Å
158	T	90.7	Very high	89.7	Confident	45 Å²	45	44.7 Å²	44.7	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-48.9	176.7	-64.5	0	0	0	0	111.9	E154 R155 A156 L160 I161 E162 L191 N775	E154-T158 WeakPolarHBondContact O-CB 3.29Å; E154-T158 PolarHBondContact O-N 3.3Å; E154-T158 PolarHBondContact O-OG1 3.3Å; R155-T158 PolarHBondContact O-N 3.03Å; A156-T158 PolarHBondContact O-N 3.07Å; T158-L160 PolarHBondContact O-N 3.06Å; T158-I161 PolarHBondContact O-N 2.97Å; T158-E162 PolarHBondContact O-N 3.15Å; T158-L191 HydrophobicContact CG2-CD2 4.1Å; T158-N775 PolarHBondContact OG1-ND2 2.89Å; T158-N775 PolarHBondContact OG1-OD1 3.42Å
159	L	94.7	Very high	90.8	Very high	36 Å²	36	46 Å²	46	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-38.7	177.5	-66.2	171.2	0	0	0	112.2	R155 A156 E162 A163 M282 L288	R155-L159 HydrophobicContact CG-CD1 4.27Å; R155-L159 WeakPolarHBondContact O-CG 3.43Å; R155-L159 PolarHBondContact O-N 3.35Å; R155-L159 VanDerWaalsContact O-N 3.11Å; A156-L159 PolarHBondContact O-N 3.49Å; L159-E162 PolarHBondContact O-N 3.02Å; L159-A163 PolarHBondContact O-N 3.36Å; L159-M282 HydrophobicContact CB-CE 4.2Å; L159-M282 HydrophobicContact CB-CG 4.4Å; L159-M282 HydrophobicContact CD2-CE 3.94Å; L159-M282 HydrophobicContact CD2-CG 4.29Å; L159-M282 VanDerWaalsContact O-CE 3.29Å; L159-M282 WeakPolarHBondContact O-CE 3.47Å; L159-L288 HydrophobicContact CB-CD2 3.86Å; L159-L288 HydrophobicContact CD1-CD2 3.98Å
160	L	96.6	Very high	91.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-44.3	174.8	-71.7	169.6	0	0	0	111.8	A156 S157 T158 E162 A163 L164 L288 F291 Y638 L639 I771	A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.48Å; A156-L160 PolarHBondContact O-N 3.04Å; S157-L160 PolarHBondContact O-N 2.9Å; T158-L160 PolarHBondContact O-N 3.06Å; L160-E162 VanDerWaalsContact C-N 3.28Å; L160-E162 PolarHBondContact O-N 2.96Å; L160-A163 PolarHBondContact O-N 3.38Å; L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 VanDerWaalsContact O-CG 3.22Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.24Å; L160-L288 HydrophobicContact CD1-CD1 4.2Å; L160-L288 HydrophobicContact CD2-CD1 4.12Å; L160-L288 HydrophobicContact CG-CD1 3.85Å; L160-F291 HydrophobicContact CD1-CD1 4.16Å; L160-F291 HydrophobicContact CD1-CE1 3.77Å; L160-Y638 HydrophobicContact CD1-CD1 4.05Å; L160-Y638 HydrophobicContact CD1-CE1 3.78Å; L160-Y638 HydrophobicContact CD2-CD1 4.24Å; L160-L639 HydrophobicContact CD2-CD1 4.46Å; L160-L639 HydrophobicContact CD2-CD2 3.64Å; L160-L639 HydrophobicContact CD2-CG 3.85Å; L160-I771 HydrophobicContact CB-CG2 4.5Å; L160-I771 HydrophobicContact CD1-CD1 4.02Å; L160-I771 HydrophobicContact CD1-CG1 4.25Å
161	I	95.1	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-35.1	177.8	-68.1	165.3	0	0	0	111.1	S157 T158 L164 R165 L186 L191 I771 F772	S157-I161 WeakPolarHBondContact O-CB 3.42Å; S157-I161 WeakPolarHBondContact O-CD1 3.48Å; S157-I161 WeakPolarHBondContact O-CG1 3.22Å; S157-I161 PolarHBondContact O-N 3.37Å; T158-I161 PolarHBondContact O-N 2.97Å; I161-L164 PolarHBondContact O-N 3.14Å; I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 VanDerWaalsContact O-CG 3.26Å; I161-R165 WeakPolarHBondContact O-CG 3.41Å; I161-R165 PolarHBondContact O-N 3.23Å; I161-L186 HydrophobicContact CG2-CD2 4.32Å; I161-L191 HydrophobicContact CB-CD1 4.3Å; I161-L191 HydrophobicContact CG2-CD1 3.55Å; I161-I771 HydrophobicContact CD1-CG2 3.95Å; I161-I771 HydrophobicContact CG1-CG2 3.73Å; I161-F772 HydrophobicContact CD1-CD1 4.01Å; I161-F772 HydrophobicContact CD1-CD2 4.44Å; I161-F772 HydrophobicContact CD1-CE1 4.05Å; I161-F772 HydrophobicContact CD1-CG 4.21Å; I161-F772 HydrophobicContact CD1-CZ 4.33Å; I161-F772 HydrophobicContact CG1-CD1 4.31Å; I161-F772 HydrophobicContact CG1-CD2 4.35Å; I161-F772 HydrophobicContact CG1-CE1 3.88Å; I161-F772 HydrophobicContact CG1-CE2 3.97Å; I161-F772 HydrophobicContact CG1-CZ 3.73Å; I161-F772 HydrophobicContact CG2-CE1 4.26Å; I161-F772 HydrophobicContact CG2-CZ 4.44Å
162	E	94.5	Very high	93.3	Very high	78 Å²	78	30 Å²	30	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-62.2	-50.4	172.1	-174.4	170.9	-146.3	0	0	111.6	T158 L159 L160 L164 R165 L166 M282	T158-E162 PolarHBondContact O-N 3.15Å; L159-E162 PolarHBondContact O-N 3.02Å; L160-E162 VanDerWaalsContact C-N 3.28Å; L160-E162 PolarHBondContact O-N 2.96Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.93Å; E162-R165 WeakPolarHBondContact O-CB 3.49Å; E162-R165 PolarHBondContact O-N 3.13Å; E162-R165 VanDerWaalsContact O-N 3.12Å; E162-L166 PolarHBondContact O-N 3.06Å; E162-M282 HydrophobicContact CB-CE 3.8Å; E162-M282 HydrophobicContact CG-CE 3.77Å; E162-M282 WeakPolarHBondContact OE2-CE 3.41Å
163	A	97.8	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-39.5	174.8	0	0	0	0	0	113.4	L159 L160 R165 L166 R167 M279 M282 F618 L639	L159-A163 PolarHBondContact O-N 3.36Å; L160-A163 PolarHBondContact O-N 3.38Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.21Å; A163-L166 PolarHBondContact O-N 3.07Å; A163-R167 PolarHBondContact O-N 2.91Å; A163-R167 VanDerWaalsContact O-N 3.14Å; A163-M279 HydrophobicContact CB-CE 4.18Å; A163-M279 HydrophobicContact CB-SD 3.65Å; A163-M282 HydrophobicContact CB-SD 3.91Å; A163-F618 HydrophobicContact CB-CE1 4.24Å; A163-F618 WeakPolarHBondContact O-CE1 3.42Å; A163-L639 HydrophobicContact CB-CD1 3.69Å; A163-L639 HydrophobicContact CB-CD2 3.81Å; A163-L639 HydrophobicContact CB-CG 4.44Å
164	L	97.6	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-37.7	174.6	-69.6	177.7	0	0	0	111.9	L160 I161 E162 S168 T182 L186 L639 L642 T643 F772	L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 VanDerWaalsContact O-CG 3.22Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.24Å; I161-L164 PolarHBondContact O-N 3.14Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.93Å; L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.27Å; L164-S168 PolarHBondContact O-N 3.22Å; L164-T182 HydrophobicContact CD1-CG2 4.13Å; L164-T182 HydrophobicContact CD2-CG2 4.05Å; L164-L186 HydrophobicContact CB-CD1 4.45Å; L164-L186 HydrophobicContact CB-CD2 4.03Å; L164-L639 HydrophobicContact CD2-CD2 4.05Å; L164-L639 HydrophobicContact CG-CD2 4.22Å; L164-L642 HydrophobicContact CD2-CB 4.02Å; L164-T643 HydrophobicContact CD2-CG2 3.25Å; L164-F772 HydrophobicContact CD1-CE2 3.8Å; L164-F772 HydrophobicContact CD1-CZ 3.95Å
165	R	95.1	Very high	94.6	Very high	92 Å²	92	24.8 Å²	24.8	35%	0.347	12%	0.118	S	C	.	.	H	α-helix	trans	-66.8	-43.7	174.3	-76	171.3	166.5	-146.2	-3.8	111.8	I161 E162 A163 S168 H169 L186 V189	I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 VanDerWaalsContact O-CG 3.26Å; I161-R165 WeakPolarHBondContact O-CG 3.41Å; I161-R165 PolarHBondContact O-N 3.23Å; E162-R165 WeakPolarHBondContact O-CB 3.49Å; E162-R165 PolarHBondContact O-N 3.13Å; E162-R165 VanDerWaalsContact O-N 3.12Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.21Å; R165-S168 PolarHBondContact O-N 3.06Å; R165-H169 PolarHBondContact O-N 2.82Å; R165-L186 HydrophobicContact CG-CD2 3.7Å; R165-V189 PolarHBondContact NH2-O 2.89Å
166	L	96.9	Very high	94.9	Very high	20 Å²	20	19 Å²	19	11%	0.105	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-55.3	176.5	-69.8	177.8	0	0	0	111	E162 A163 S168 H169 Y170 D275 V278 M279 L619	E162-L166 PolarHBondContact O-N 3.06Å; A163-L166 PolarHBondContact O-N 3.07Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 2.93Å; L166-H169 PolarHBondContact O-N 2.75Å; L166-H169 VanDerWaalsContact O-N 3.17Å; L166-Y170 VanDerWaalsContact O-CD2 3.26Å; L166-Y170 WeakPolarHBondContact O-CD2 3.5Å; L166-Y170 PolarHBondContact O-N 3.01Å; L166-D275 HydrophobicContact CD1-CB 4.44Å; L166-D275 HydrophobicContact CD2-CB 4.34Å; L166-D275 WeakPolarHBondContact CD2-OD1 3.34Å; L166-V278 HydrophobicContact CD1-CG1 4.18Å; L166-M279 HydrophobicContact CD1-CG 4.27Å; L166-M279 HydrophobicContact CD1-SD 4.23Å; L166-L619 HydrophobicContact CB-CD2 3.84Å
167	R	97.6	Very high	94.9	Very high	3 Å²	3	22 Å²	22	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-42.5	175.7	-179.2	179.1	174.1	81	2.3	112	A163 H169 Y170 M171 F178 F618 A621 E622	A163-R167 PolarHBondContact O-N 2.91Å; A163-R167 VanDerWaalsContact O-N 3.14Å; R167-H169 PolarHBondContact O-N 3.14Å; R167-Y170 PolarHBondContact O-N 3.2Å; R167-M171 HydrophobicContact CG-CG 3.9Å; R167-M171 PolarHBondContact NH2-SD 3.14Å; R167-M171 WeakPolarHBondContact O-CG 3.4Å; R167-M171 PolarHBondContact O-N 3.38Å; R167-F178 HydrophobicContact CB-CE2 4.23Å; R167-F178 HydrophobicContact CG-CD2 4.12Å; R167-F178 HydrophobicContact CG-CE2 4.01Å; R167-F618 HydrophobicContact CB-CD1 4.49Å; R167-F618 HydrophobicContact CB-CE1 3.9Å; R167-F618 HydrophobicContact CB-CE2 4.29Å; R167-F618 HydrophobicContact CB-CZ 3.78Å; R167-F618 VanDerWaalsContact CD-O 3.25Å; R167-F618 WeakPolarHBondContact CD-O 3.4Å; R167-F618 VanDerWaalsContact CG-O 3.27Å; R167-F618 WeakPolarHBondContact CG-O 3.3Å; R167-F618 PolarHBondContact NH1-O 3.48Å; R167-A621 VanDerWaalsContact CZ-O 3.25Å; R167-A621 PolarHBondContact NH1-O 3.11Å; R167-A621 PolarHBondContact NH2-O 3.38Å; R167-E622 PolarHBondContact NH2-O 2.89Å
168	S	96.3	Very high	95	Very high	20 Å²	20	23.4 Å²	23.4	14%	0.14	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-32	179.9	-173.5	0	0	0	0	113.1	L164 R165 L166 A172	L164-S168 VanDerWaalsContact O-CB 3.3Å; L164-S168 WeakPolarHBondContact O-CB 3.27Å; L164-S168 PolarHBondContact O-N 3.22Å; R165-S168 PolarHBondContact O-N 3.06Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 2.93Å; S168-A172 WeakPolarHBondContact O-CB 3.46Å; S168-A172 PolarHBondContact O-N 3.01Å
169	H	95.6	Very high	95.1	Very high	40 Å²	40	22.4 Å²	22.4	19%	0.185	12%	0.118	C	C	.	.	H	α-helix	trans	-71.6	-45	175.7	178.8	44.1	0	0	0	111.4	R165 L166 R167 A172 M173 E265 Q271	R165-H169 PolarHBondContact O-N 2.82Å; L166-H169 PolarHBondContact O-N 2.75Å; L166-H169 VanDerWaalsContact O-N 3.17Å; R167-H169 PolarHBondContact O-N 3.14Å; H169-A172 PolarHBondContact O-N 3.47Å; H169-M173 VanDerWaalsContact CD2-CE 3.5Å; H169-M173 WeakPolarHBondContact CD2-CE 2.92Å; H169-M173 WeakPolarHBondContact NE2-CE 3.37Å; H169-M173 WeakPolarHBondContact O-CG 3.44Å; H169-M173 PolarHBondContact O-N 3.48Å; H169-E265 IonicContact CE1-OE1 3.4Å; H169-E265 PolarHBondContact CE1-OE1 2.86Å; H169-Q271 PolarHBondContact NE2-NE2 2.87Å
170	Y	97.6	Very high	94.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-44.6	178.5	-78.7	-118.7	0	0	0	112.1	L166 R167 A172 M173 S174 P267 F272 D275 Y581 L619 M620	L166-Y170 VanDerWaalsContact O-CD2 3.26Å; L166-Y170 WeakPolarHBondContact O-CD2 3.5Å; L166-Y170 PolarHBondContact O-N 3.01Å; R167-Y170 PolarHBondContact O-N 3.2Å; Y170-A172 VanDerWaalsContact C-N 3.26Å; Y170-A172 PolarHBondContact O-N 3Å; Y170-M173 HydrophobicContact CD1-CE 4.35Å; Y170-M173 HydrophobicContact CD2-CE 3.77Å; Y170-M173 HydrophobicContact CE2-CE 4.12Å; Y170-M173 HydrophobicContact CG-CE 3.9Å; Y170-M173 PolarHBondContact O-N 3.25Å; Y170-S174 PolarHBondContact O-N 3.15Å; Y170-S174 PolarHBondContact O-OG 2.89Å; Y170-P267 HydrophobicContact CD1-CG 4.16Å; Y170-P267 HydrophobicContact CE1-CB 4.14Å; Y170-P267 HydrophobicContact CE1-CG 3.66Å; Y170-F272 HydrophobicContact CE1-CD2 4.03Å; Y170-F272 WeakPolarHBondContact OH-CA 3.33Å; Y170-D275 WeakPolarHBondContact CE2-OD2 3.46Å; Y170-D275 PolarHBondContact OH-OD2 3.1Å; Y170-Y581 WeakPolarHBondContact CA-OH 3.39Å; Y170-Y581 WeakPolarHBondContact CB-OH 3.12Å; Y170-Y581 AromaticContact CD1-CE1 3.92Å; Y170-Y581 HydrophobicContact CD1-CE1 3.92Å; Y170-Y581 AromaticContact CD1-CZ 3.81Å; Y170-Y581 HydrophobicContact CE1-CE1 4.42Å; Y170-Y581 PolarHBondContact O-OH 3.02Å; Y170-L619 WeakPolarHBondContact CB-O 3.27Å; Y170-L619 HydrophobicContact CD1-CB 4.33Å; Y170-L619 HydrophobicContact CE1-CB 4.42Å; Y170-M620 HydrophobicContact CD1-CG 3.8Å; Y170-M620 HydrophobicContact CE1-CG 4.04Å
171	M	96.9	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-37.5	175.7	-63.3	-59.8	95.8	0	0	111.7	R167 D175 Q176 S177 F178 L619	R167-M171 HydrophobicContact CG-CG 3.9Å; R167-M171 PolarHBondContact NH2-SD 3.14Å; R167-M171 WeakPolarHBondContact O-CG 3.4Å; R167-M171 PolarHBondContact O-N 3.38Å; M171-D175 PolarHBondContact O-N 3.39Å; M171-D175 VanDerWaalsContact O-N 3.12Å; M171-Q176 HydrophobicContact CE-CB 4.23Å; M171-Q176 PolarHBondContact O-N 3.39Å; M171-Q176 HydrophobicContact SD-CB 3.52Å; M171-Q176 VanDerWaalsContact SD-CB 3.52Å; M171-S177 WeakPolarHBondContact CG-O 3.37Å; M171-F178 HydrophobicContact CB-CB 4.08Å; M171-F178 HydrophobicContact CB-CD2 4.43Å; M171-F178 HydrophobicContact CG-CB 4.34Å; M171-F178 HydrophobicContact CG-CD2 4.1Å; M171-L619 WeakPolarHBondContact CE-O 3.31Å
172	A	93.4	Very high	94.6	Very high	20 Å²	20	22.9 Å²	22.9	17%	0.165	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-41.2	174.7	0	0	0	0	0	113.7	S168 H169 Y170 S174 I206 M210	S168-A172 WeakPolarHBondContact O-CB 3.46Å; S168-A172 PolarHBondContact O-N 3.01Å; H169-A172 PolarHBondContact O-N 3.47Å; Y170-A172 VanDerWaalsContact C-N 3.26Å; Y170-A172 PolarHBondContact O-N 3Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 3.45Å; A172-I206 HydrophobicContact CB-CG2 4.12Å; A172-M210 HydrophobicContact CB-CE 4.38Å; A172-M210 HydrophobicContact CB-SD 3.84Å
173	M	93.4	Very high	94.4	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-44	174.2	-75	-173.7	-73.5	0	0	111.3	H169 Y170 E265 P267 T585 K589	H169-M173 VanDerWaalsContact CD2-CE 3.5Å; H169-M173 WeakPolarHBondContact CD2-CE 2.92Å; H169-M173 WeakPolarHBondContact NE2-CE 3.37Å; H169-M173 WeakPolarHBondContact O-CG 3.44Å; H169-M173 PolarHBondContact O-N 3.48Å; Y170-M173 HydrophobicContact CD1-CE 4.35Å; Y170-M173 HydrophobicContact CD2-CE 3.77Å; Y170-M173 HydrophobicContact CE2-CE 4.12Å; Y170-M173 HydrophobicContact CG-CE 3.9Å; Y170-M173 PolarHBondContact O-N 3.25Å; M173-E265 HydrophobicContact CG-CG 4.02Å; M173-E265 HydrophobicContact SD-CG 4.15Å; M173-P267 HydrophobicContact CE-CB 3.9Å; M173-P267 HydrophobicContact CE-CG 3.87Å; M173-P267 HydrophobicContact SD-CB 4.31Å; M173-P267 HydrophobicContact SD-CG 4.36Å; M173-T585 WeakPolarHBondContact O-CG2 2.96Å; M173-K589 WeakPolarHBondContact O-CE 3.48Å; M173-K589 PolarHBondContact O-NZ 2.89Å; M173-K589 VanDerWaalsContact O-NZ 3.1Å
174	S	93.4	Very high	94	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-88.4	-1.6	-173.4	53	0	0	0	0	116.2	Y170 A172 Q176 Y581 T585 N588	Y170-S174 PolarHBondContact O-N 3.15Å; Y170-S174 PolarHBondContact O-OG 2.89Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 3.45Å; S174-Q176 PolarHBondContact O-N 3.01Å; S174-Q176 PolarHBondContact OG-NE2 3.25Å; S174-Y581 WeakPolarHBondContact OG-CE2 3.41Å; S174-Y581 PolarHBondContact OG-OH 2.91Å; S174-T585 WeakPolarHBondContact CB-OG1 3.35Å; S174-N588 PolarHBondContact O-ND2 3.23Å
175	D	91.9	Very high	93.7	Very high	35 Å²	35	27.4 Å²	27.4	19%	0.187	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	22.7	-168.8	-59.4	-53.3	0	0	0	114.6	M171 K589	M171-D175 PolarHBondContact O-N 3.39Å; M171-D175 VanDerWaalsContact O-N 3.12Å; D175-K589 IonicContact OD1-NZ 3.85Å; D175-K589 PolarHBondContact OD1-NZ 2.9Å; D175-K589 WeakPolarHBondContact OD2-CD 3.42Å; D175-K589 VanDerWaalsContact OD2-CE 3.26Å; D175-K589 WeakPolarHBondContact OD2-CE 3.5Å; D175-K589 IonicContact OD2-NZ 2.65Å; D175-K589 PolarHBondContact OD2-NZ 3.13Å
176	Q	93.9	Very high	93.4	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.014	13%	0.13	C	C	.	.			trans	-81.4	162.2	173.9	-70.8	-178.1	115	0	0	111.2	M171 S174 M210 M584 V600 M620 E622	M171-Q176 HydrophobicContact CE-CB 4.23Å; M171-Q176 PolarHBondContact O-N 3.39Å; M171-Q176 HydrophobicContact SD-CB 3.52Å; M171-Q176 VanDerWaalsContact SD-CB 3.52Å; S174-Q176 PolarHBondContact O-N 3.01Å; S174-Q176 PolarHBondContact OG-NE2 3.25Å; Q176-M210 WeakPolarHBondContact O-CE 3.33Å; Q176-M584 HydrophobicContact CG-CE 4.4Å; Q176-V600 HydrophobicContact CG-CG1 4.28Å; Q176-M620 PolarHBondContact NE2-O 3.03Å; Q176-E622 WeakPolarHBondContact CA-OE2 3.33Å; Q176-E622 WeakPolarHBondContact CB-OE2 3.43Å; Q176-E622 HydrophobicContact CG-CB 4.46Å; Q176-E622 VanDerWaalsContact OE1-N 3.13Å
177	S	91.6	Very high	92.6	Very high	66 Å²	66	28.3 Å²	28.3	46%	0.462	15%	0.148	S	C	.	.			trans	-79.9	147.4	-172.3	85.2	0	0	0	0	113.5	M171 E622	M171-S177 WeakPolarHBondContact CG-O 3.37Å; S177-E622 VanDerWaalsContact CB-OE1 3.26Å; S177-E622 WeakPolarHBondContact CB-OE1 3.42Å; S177-E622 PolarHBondContact N-OE2 2.83Å; S177-E622 PolarHBondContact OG-OE1 3.24Å
178	F	95	Very high	91.5	Very high	29 Å²	29	31.4 Å²	31.4	13%	0.127	17%	0.168	C	C	.	.			trans	-141.7	134.9	174.3	-170	-86	0	0	0	108.5	R167 M171 S180 T182 A183 L186 T643	R167-F178 HydrophobicContact CB-CE2 4.23Å; R167-F178 HydrophobicContact CG-CD2 4.12Å; R167-F178 HydrophobicContact CG-CE2 4.01Å; M171-F178 HydrophobicContact CB-CB 4.08Å; M171-F178 HydrophobicContact CB-CD2 4.43Å; M171-F178 HydrophobicContact CG-CB 4.34Å; M171-F178 HydrophobicContact CG-CD2 4.1Å; F178-S180 PolarHBondContact O-N 2.8Å; F178-T182 HydrophobicContact CE1-CG2 4.04Å; F178-T182 HydrophobicContact CZ-CG2 4.02Å; F178-A183 HydrophobicContact CD1-CB 4.06Å; F178-A183 HydrophobicContact CE1-CB 4.26Å; F178-L186 HydrophobicContact CE1-CD1 3.84Å; F178-L186 HydrophobicContact CZ-CD1 3.79Å; F178-T643 HydrophobicContact CE2-CG2 4.01Å; F178-T643 HydrophobicContact CZ-CG2 4.24Å
179	P	92.8	Very high	89.9	Confident	24 Å²	24	31 Å²	31	16%	0.156	16%	0.164	C	C	.	.			trans	-63.2	133.1	-169.9	23.8	-35.5	0	0	0	112.9	T181 T182 A183 T643 Q644	P179-T181 VanDerWaalsContact C-N 3.27Å; P179-T181 PolarHBondContact O-N 2.76Å; P179-T182 PolarHBondContact O-N 3.43Å; P179-A183 PolarHBondContact O-N 3.2Å; P179-T643 WeakPolarHBondContact CD-O 3.33Å; P179-T643 WeakPolarHBondContact CG-O 3.43Å; P179-Q644 HydrophobicContact CB-CB 4.36Å; P179-Q644 HydrophobicContact CG-CB 4.41Å
180	S	90.6	Very high	88	Confident	47 Å²	47	38 Å²	38	33%	0.329	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-38.6	-172.8	102	0	0	0	0	111.8	F178 A183 R184 D740	F178-S180 PolarHBondContact O-N 2.8Å; S180-A183 PolarHBondContact O-N 2.68Å; S180-R184 WeakPolarHBondContact O-CG 3.25Å; S180-R184 PolarHBondContact O-N 3.29Å; S180-D740 WeakPolarHBondContact CB-OD2 3.29Å; S180-D740 PolarHBondContact OG-OD2 3.04Å
181	T	90.8	Very high	85.6	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-51.2	178.9	-65.1	0	0	0	0	112.1	P179 A183 R184 F185 D740 Y761 L765 L768	P179-T181 VanDerWaalsContact C-N 3.27Å; P179-T181 PolarHBondContact O-N 2.76Å; T181-A183 VanDerWaalsContact C-N 3.28Å; T181-A183 PolarHBondContact O-N 3.36Å; T181-R184 WeakPolarHBondContact O-CA 3.46Å; T181-R184 WeakPolarHBondContact O-CB 3.3Å; T181-R184 PolarHBondContact O-N 3.22Å; T181-R184 PolarHBondContact OG1-NH2 2.88Å; T181-F185 HydrophobicContact CG2-CD2 4.18Å; T181-F185 HydrophobicContact CG2-CE2 4.1Å; T181-F185 WeakPolarHBondContact O-CD2 3.41Å; T181-F185 PolarHBondContact O-N 3.32Å; T181-D740 WeakPolarHBondContact CB-OD2 3.4Å; T181-D740 PolarHBondContact N-OD2 2.74Å; T181-D740 WeakPolarHBondContact OG1-CB 3.4Å; T181-D740 PolarHBondContact OG1-OD2 2.91Å; T181-Y761 HydrophobicContact CG2-CE2 4.21Å; T181-L765 HydrophobicContact CG2-CD2 3.56Å; T181-L768 HydrophobicContact CG2-CD1 3.83Å
182	T	93.9	Very high	82.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-35.1	178.1	-45.6	0	0	0	0	111.2	L164 F178 P179 R184 F185 L186 L642 L768	L164-T182 HydrophobicContact CD1-CG2 4.13Å; L164-T182 HydrophobicContact CD2-CG2 4.05Å; F178-T182 HydrophobicContact CE1-CG2 4.04Å; F178-T182 HydrophobicContact CZ-CG2 4.02Å; P179-T182 PolarHBondContact O-N 3.43Å; T182-R184 PolarHBondContact O-N 2.82Å; T182-F185 PolarHBondContact O-N 2.92Å; T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 2.72Å; T182-L642 WeakPolarHBondContact CG2-O 3.35Å; T182-L642 PolarHBondContact OG1-O 3.29Å; T182-L768 HydrophobicContact CG2-CD2 3.95Å
183	A	90.8	Very high	80	Confident	11 Å²	11	52.7 Å²	52.7	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-36	171.6	0	0	0	0	0	113.1	F178 P179 S180 T181 K187	F178-A183 HydrophobicContact CD1-CB 4.06Å; F178-A183 HydrophobicContact CE1-CB 4.26Å; P179-A183 PolarHBondContact O-N 3.2Å; S180-A183 PolarHBondContact O-N 2.68Å; T181-A183 VanDerWaalsContact C-N 3.28Å; T181-A183 PolarHBondContact O-N 3.36Å; A183-K187 WeakPolarHBondContact O-CG 3.48Å; A183-K187 PolarHBondContact O-N 3.5Å
184	R	89.3	Confident	77.3	Confident	122 Å²	122	64.1 Å²	64.1	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-44	172.6	-73.9	-179.1	-68.9	158.8	2.8	111.2	S180 T181 T182 K187 Y761	S180-R184 WeakPolarHBondContact O-CG 3.25Å; S180-R184 PolarHBondContact O-N 3.29Å; T181-R184 WeakPolarHBondContact O-CA 3.46Å; T181-R184 WeakPolarHBondContact O-CB 3.3Å; T181-R184 PolarHBondContact O-N 3.22Å; T181-R184 PolarHBondContact OG1-NH2 2.88Å; T182-R184 PolarHBondContact O-N 2.82Å; R184-K187 PolarHBondContact O-N 2.94Å; R184-Y761 PolarHBondContact NH2-OH 3.04Å
185	F	89.9	Confident	74.5	Confident	39 Å²	39	69.3 Å²	69.3	17%	0.171	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-43.1	175.1	-84.4	-84.6	0	0	0	112.7	T181 T182 K187 T188 L765 L768 F772	T181-F185 HydrophobicContact CG2-CD2 4.18Å; T181-F185 HydrophobicContact CG2-CE2 4.1Å; T181-F185 WeakPolarHBondContact O-CD2 3.41Å; T181-F185 PolarHBondContact O-N 3.32Å; T182-F185 PolarHBondContact O-N 2.92Å; F185-K187 PolarHBondContact O-N 2.78Å; F185-K187 VanDerWaalsContact O-N 3.17Å; F185-T188 WeakPolarHBondContact O-CB 3.43Å; F185-T188 PolarHBondContact O-N 3.18Å; F185-T188 PolarHBondContact O-OG1 3.31Å; F185-L765 HydrophobicContact CE2-CD2 3.79Å; F185-L765 HydrophobicContact CZ-CD2 4.33Å; F185-L768 HydrophobicContact CD1-CB 4.14Å; F185-L768 HydrophobicContact CD2-CB 3.72Å; F185-L768 HydrophobicContact CD2-CD1 3.73Å; F185-L768 HydrophobicContact CD2-CG 4.26Å; F185-L768 HydrophobicContact CE1-CB 4.11Å; F185-L768 HydrophobicContact CE2-CB 3.68Å; F185-L768 HydrophobicContact CE2-CD1 4Å; F185-L768 HydrophobicContact CE2-CG 4.49Å; F185-L768 HydrophobicContact CG-CB 3.95Å; F185-L768 HydrophobicContact CG-CD1 4.5Å; F185-L768 HydrophobicContact CZ-CB 3.87Å; F185-F772 VanDerWaalsContact C-CE1 3.47Å; F185-F772 HydrophobicContact CB-CD1 4.05Å; F185-F772 HydrophobicContact CB-CD2 4Å; F185-F772 HydrophobicContact CB-CE1 4.03Å; F185-F772 HydrophobicContact CB-CE2 3.95Å; F185-F772 HydrophobicContact CB-CG 4.05Å; F185-F772 HydrophobicContact CB-CZ 3.96Å; F185-F772 HydrophobicContact CD1-CB 3.83Å; F185-F772 HydrophobicContact CD1-CD1 4.49Å; F185-F772 HydrophobicContact CD1-CD2 4.11Å; F185-F772 AromaticContact CD1-CG 3.89Å; F185-F772 HydrophobicContact CD1-CG 3.89Å; F185-F772 HydrophobicContact CE1-CB 4.48Å; F185-F772 HydrophobicContact CG-CD2 4.35Å; F185-F772 HydrophobicContact CG-CG 4.4Å; F185-F772 WeakPolarHBondContact O-CD1 3.42Å; F185-F772 VanDerWaalsContact O-CE1 3.29Å; F185-F772 WeakPolarHBondContact O-CE1 3.48Å
186	L	89.4	Confident	71.8	Confident	19 Å²	19	74 Å²	74	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-55.8	-32.6	177.9	-80.2	173	0	0	0	113.8	I161 L164 R165 F178 T182 T188 F772	I161-L186 HydrophobicContact CG2-CD2 4.32Å; L164-L186 HydrophobicContact CB-CD1 4.45Å; L164-L186 HydrophobicContact CB-CD2 4.03Å; R165-L186 HydrophobicContact CG-CD2 3.7Å; F178-L186 HydrophobicContact CE1-CD1 3.84Å; F178-L186 HydrophobicContact CZ-CD1 3.79Å; T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 2.72Å; L186-T188 VanDerWaalsContact C-N 3.25Å; L186-T188 PolarHBondContact O-N 2.81Å; L186-F772 HydrophobicContact CD2-CE1 4.18Å; L186-F772 HydrophobicContact CD2-CZ 3.92Å; L186-F772 HydrophobicContact CG-CZ 4.2Å
187	K	80.3	Confident	69.1	Low	112 Å²	112	81.6 Å²	81.6	49%	0.487	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.6	175.5	-68.4	174	-176.6	-178.9	0	114.3	A183 R184 F185 I207	A183-K187 WeakPolarHBondContact O-CG 3.48Å; A183-K187 PolarHBondContact O-N 3.5Å; R184-K187 PolarHBondContact O-N 2.94Å; F185-K187 PolarHBondContact O-N 2.78Å; F185-K187 VanDerWaalsContact O-N 3.17Å; K187-I207 VanDerWaalsContact CE-CG2 3.44Å; K187-I207 HydrophobicContact CG-CD1 4.41Å; K187-I207 VanDerWaalsContact NZ-CG2 3.29Å
188	T	74.5	Confident	66.5	Low	69 Å²	69	82.2 Å²	82.2	42%	0.423	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-20.3	-173.9	68.7	0	0	0	0	114.2	F185 L186 Q776	F185-T188 WeakPolarHBondContact O-CB 3.43Å; F185-T188 PolarHBondContact O-N 3.18Å; F185-T188 PolarHBondContact O-OG1 3.31Å; L186-T188 VanDerWaalsContact C-N 3.25Å; L186-T188 PolarHBondContact O-N 2.81Å; T188-Q776 VanDerWaalsContact CB-NE2 3.33Å; T188-Q776 PolarHBondContact OG1-NE2 3.04Å
189	V	63.5	Low	63.6	Low	10 Å²	10	84 Å²	84	6%	0.061	41%	0.41	C	S	.	.			trans	-110.7	114.4	-172.1	167.1	0	0	0	0	111.5	R165 L191 F772 N775 Q776	R165-V189 PolarHBondContact NH2-O 2.89Å; V189-L191 HydrophobicContact CG1-CD1 4.14Å; V189-L191 HydrophobicContact CG1-CG 3.83Å; V189-L191 PolarHBondContact O-N 3.1Å; V189-F772 HydrophobicContact CB-CD1 4.32Å; V189-F772 HydrophobicContact CG2-CD1 3.67Å; V189-F772 HydrophobicContact CG2-CE1 4.37Å; V189-N775 HydrophobicContact CG1-CB 4.31Å; V189-N775 HydrophobicContact CG2-CB 4.39Å; V189-Q776 HydrophobicContact CG2-CG 4.12Å
190	K	54.8	Low	61.2	Low	189 Å²	189	87.7 Å²	87.7	82%	0.822	43%	0.431	S	S	*	.			trans	-89.5	76.9	166.4	-65.9	-176.9	-178.1	178.5	0	110.4	K192	K190-K192 PolarHBondContact O-N 3.19Å
191	L	46.3	Very low	58.5	Low	49 Å²	49	93.5 Å²	93.5	26%	0.257	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-56.9	128.6	164.6	-86.3	152.7	0	0	0	109.3	T158 I161 V189	T158-L191 HydrophobicContact CG2-CD2 4.1Å; I161-L191 HydrophobicContact CB-CD1 4.3Å; I161-L191 HydrophobicContact CG2-CD1 3.55Å; V189-L191 HydrophobicContact CG1-CD1 4.14Å; V189-L191 HydrophobicContact CG1-CG 3.83Å; V189-L191 PolarHBondContact O-N 3.1Å
192	K	38.4	Very low	56.1	Low	155 Å²	155	98.8 Å²	98.8	67%	0.674	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-57.5	138.8	174.9	-72.2	171.5	174.6	171.5	0	110	K190 R194 D782	K190-K192 PolarHBondContact O-N 3.19Å; K192-R194 PolarHBondContact O-N 3.23Å; K192-D782 IonicContact NZ-OD2 2.58Å; K192-D782 PolarHBondContact NZ-OD2 3.34Å
193	D	35.8	Very low	53.5	Low	123 Å²	123	101.9 Å²	101.9	66%	0.658	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-67.9	116.9	-163.8	-51.2	-81.7	0	0	0	113.2
194	R	35.2	Very low	51	Low	244 Å²	244	104.1 Å²	104.1	92%	0.921	51%	0.509	S	S	*	.	S	Bend	trans	-103.3	-20.7	156.7	-77	-168	175.1	-166.1	0.6	112.9	K192 N196	K192-R194 PolarHBondContact O-N 3.23Å; R194-N196 PolarHBondContact O-N 3.06Å
195	I	35	Very low	48.5	Very low	109 Å²	109	102.7 Å²	102.7	56%	0.559	51%	0.511	S	S	*	.	S	Bend	trans	-89.1	90.8	170.9	-54.5	175.7	0	0	0	107.3	L198	I195-L198 HydrophobicContact CG2-CD1 4.39Å
196	N	36.6	Very low	46.3	Very low	134 Å²	134	103.9 Å²	103.9	72%	0.717	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	139.4	162.8	-79.7	-35.4	0	0	0	108.7	R194	R194-N196 PolarHBondContact O-N 3.06Å
197	N	37.3	Very low	44	Very low	161 Å²	161	104 Å²	104	86%	0.861	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	42.4	173.9	-50.5	-17	0	0	0	118.1
198	L	36.5	Very low	41.8	Very low	80 Å²	80	107 Å²	107	42%	0.419	53%	0.527	S	S	.	.			trans	-129.4	114.2	155	-94.8	173.1	0	0	0	112	I195 V200	I195-L198 HydrophobicContact CG2-CD1 4.39Å; L198-V200 PolarHBondContact O-N 3.38Å
199	P	33.8	Very low	40	Very low	67 Å²	67	111 Å²	111	44%	0.435	54%	0.538	S	S	.	.			trans	-67.8	112.7	178.3	-21.3	34.2	0	0	0	112.6	K201 E202	P199-K201 PolarHBondContact O-N 2.94Å; P199-E202 HydrophobicContact CB-CG 4.29Å; P199-E202 VanDerWaalsContact CD-OE2 3.31Å; P199-E202 WeakPolarHBondContact CD-OE2 3.41Å; P199-E202 VanDerWaalsContact CG-OE2 3.28Å; P199-E202 WeakPolarHBondContact CG-OE2 3.36Å; P199-E202 PolarHBondContact O-N 2.81Å
200	V	42.3	Very low	38.9	Very low	101 Å²	101	112.8 Å²	112.8	61%	0.612	55%	0.547	S	S	*	.	H	α-helix	trans	-54.1	-22	179.4	-179.1	0	0	0	0	113.8	L198 S204	L198-V200 PolarHBondContact O-N 3.38Å; V200-S204 PolarHBondContact O-N 3.05Å; V200-S204 PolarHBondContact O-OG 3.09Å
201	K	34.6	Very low	38.1	Very low	169 Å²	169	107.2 Å²	107.2	74%	0.735	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-43.8	171.9	-80.5	-172.7	171.7	-176.1	0	113.4	P199 S204 D205	P199-K201 PolarHBondContact O-N 2.94Å; K201-S204 WeakPolarHBondContact O-CA 3.29Å; K201-S204 VanDerWaalsContact O-CB 3.28Å; K201-S204 WeakPolarHBondContact O-CB 3.36Å; K201-S204 PolarHBondContact O-N 2.75Å; K201-D205 PolarHBondContact O-N 3.14Å
202	E	40.6	Very low	37.5	Very low	111 Å²	111	107.5 Å²	107.5	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-45	-172	-70.1	168.2	162.1	0	0	110.3	P199 S204 D205 I206	P199-E202 HydrophobicContact CB-CG 4.29Å; P199-E202 VanDerWaalsContact CD-OE2 3.31Å; P199-E202 WeakPolarHBondContact CD-OE2 3.41Å; P199-E202 VanDerWaalsContact CG-OE2 3.28Å; P199-E202 WeakPolarHBondContact CG-OE2 3.36Å; P199-E202 PolarHBondContact O-N 2.81Å; E202-S204 PolarHBondContact O-N 3.14Å; E202-D205 PolarHBondContact O-N 2.82Å; E202-I206 WeakPolarHBondContact O-CB 3.49Å; E202-I206 WeakPolarHBondContact O-CD1 3.27Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 3.13Å
203	V	39.3	Very low	37.1	Very low	66 Å²	66	101.5 Å²	101.5	40%	0.4	51%	0.514	S	S	.	.	H	α-helix	trans	-56.6	-38.5	170.1	-177.2	0	0	0	0	111.8	I207	V203-I207 HydrophobicContact CG1-CD1 3.99Å; V203-I207 WeakPolarHBondContact O-CD1 3.43Å; V203-I207 VanDerWaalsContact O-CG1 3.24Å; V203-I207 WeakPolarHBondContact O-CG1 3.44Å; V203-I207 PolarHBondContact O-N 2.74Å; V203-I207 VanDerWaalsContact O-N 3.08Å
204	S	37.9	Very low	37.3	Very low	57 Å²	57	99.8 Å²	99.8	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-42.1	179	-60	0	0	0	0	112.7	V200 K201 E202 R208	V200-S204 PolarHBondContact O-N 3.05Å; V200-S204 PolarHBondContact O-OG 3.09Å; K201-S204 WeakPolarHBondContact O-CA 3.29Å; K201-S204 VanDerWaalsContact O-CB 3.28Å; K201-S204 WeakPolarHBondContact O-CB 3.36Å; K201-S204 PolarHBondContact O-N 2.75Å; E202-S204 PolarHBondContact O-N 3.14Å; S204-R208 PolarHBondContact O-N 3.06Å
205	D	36.4	Very low	37.5	Very low	93 Å²	93	89.8 Å²	89.8	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-78.9	-30.5	178.8	-74.5	-43.5	0	0	0	112.7	K201 E202 R208 K209	K201-D205 PolarHBondContact O-N 3.14Å; E202-D205 PolarHBondContact O-N 2.82Å; D205-R208 WeakPolarHBondContact O-CB 3.26Å; D205-R208 PolarHBondContact O-N 3.18Å; D205-K209 PolarHBondContact O-N 3.32Å; D205-K209 VanDerWaalsContact O-N 3.09Å
206	I	43.5	Very low	37.2	Very low	63 Å²	63	90.7 Å²	90.7	32%	0.323	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-48.4	170.6	-71.6	164.8	0	0	0	110.4	A172 E202 R208 K209 M210	A172-I206 HydrophobicContact CB-CG2 4.12Å; E202-I206 WeakPolarHBondContact O-CB 3.49Å; E202-I206 WeakPolarHBondContact O-CD1 3.27Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 3.13Å; I206-R208 PolarHBondContact O-N 3.15Å; I206-K209 WeakPolarHBondContact O-CA 3.44Å; I206-K209 WeakPolarHBondContact O-CB 3.3Å; I206-K209 PolarHBondContact O-N 3.06Å; I206-M210 HydrophobicContact CG2-CG 4.33Å; I206-M210 HydrophobicContact CG2-SD 4.11Å; I206-M210 PolarHBondContact O-N 2.84Å
207	I	40.5	Very low	37.1	Very low	22 Å²	22	90.9 Å²	90.9	11%	0.113	47%	0.473	C	S	.	.	H	α-helix	trans	-63.1	-32.6	178.2	-58.1	159.7	0	0	0	110.8	K187 V203 K209 M210 S211	K187-I207 VanDerWaalsContact CE-CG2 3.44Å; K187-I207 HydrophobicContact CG-CD1 4.41Å; K187-I207 VanDerWaalsContact NZ-CG2 3.29Å; V203-I207 HydrophobicContact CG1-CD1 3.99Å; V203-I207 WeakPolarHBondContact O-CD1 3.43Å; V203-I207 VanDerWaalsContact O-CG1 3.24Å; V203-I207 WeakPolarHBondContact O-CG1 3.44Å; V203-I207 PolarHBondContact O-N 2.74Å; V203-I207 VanDerWaalsContact O-N 3.08Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.4Å; I207-M210 PolarHBondContact O-N 3.32Å; I207-S211 PolarHBondContact O-N 3.18Å; I207-S211 PolarHBondContact O-OG 2.92Å
208	R	34.8	Very low	37.1	Very low	176 Å²	176	86.2 Å²	86.2	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-65	-31.5	173.8	-172.3	179.5	-177.2	175.5	2	112.6	S204 D205 I206 V212	S204-R208 PolarHBondContact O-N 3.06Å; D205-R208 WeakPolarHBondContact O-CB 3.26Å; D205-R208 PolarHBondContact O-N 3.18Å; I206-R208 PolarHBondContact O-N 3.15Å; R208-V212 WeakPolarHBondContact O-CB 3.45Å; R208-V212 WeakPolarHBondContact O-CG2 3.48Å
209	K	36.7	Very low	36.9	Very low	151 Å²	151	88.5 Å²	88.5	66%	0.657	46%	0.458	S	S	*	.	H	α-helix	trans	-72.9	-50.4	169.5	-69.6	-179.5	178	-179.8	0	111.2	D205 I206 I207 S211 V212 A213	D205-K209 PolarHBondContact O-N 3.32Å; D205-K209 VanDerWaalsContact O-N 3.09Å; I206-K209 WeakPolarHBondContact O-CA 3.44Å; I206-K209 WeakPolarHBondContact O-CB 3.3Å; I206-K209 PolarHBondContact O-N 3.06Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 3.4Å; K209-S211 VanDerWaalsContact C-N 3.28Å; K209-S211 PolarHBondContact O-N 3.13Å; K209-V212 PolarHBondContact O-N 2.64Å; K209-A213 WeakPolarHBondContact O-CB 2.95Å; K209-A213 PolarHBondContact O-N 3.13Å
210	M	39.7	Very low	36.8	Very low	49 Å²	49	92.2 Å²	92.2	24%	0.241	47%	0.473	C	S	.	.	H	α-helix	trans	-57.8	-38.2	-177	-66	-178.9	85.5	0	0	112.9	A172 Q176 I206 I207 V212	A172-M210 HydrophobicContact CB-CE 4.38Å; A172-M210 HydrophobicContact CB-SD 3.84Å; Q176-M210 WeakPolarHBondContact O-CE 3.33Å; I206-M210 HydrophobicContact CG2-CG 4.33Å; I206-M210 HydrophobicContact CG2-SD 4.11Å; I206-M210 PolarHBondContact O-N 2.84Å; I207-M210 PolarHBondContact O-N 3.32Å; M210-V212 VanDerWaalsContact C-N 3.32Å; M210-V212 PolarHBondContact O-N 3.38Å
211	S	38	Very low	36.3	Very low	72 Å²	72	95.9 Å²	95.9	50%	0.503	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.9	179.4	73	0	0	0	0	115.2	I207 K209	I207-S211 PolarHBondContact O-N 3.18Å; I207-S211 PolarHBondContact O-OG 2.92Å; K209-S211 VanDerWaalsContact C-N 3.28Å; K209-S211 PolarHBondContact O-N 3.13Å
212	V	33.8	Very low	36.1	Very low	55 Å²	55	95.5 Å²	95.5	33%	0.333	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-51.1	-174.6	-176.4	0	0	0	0	112.8	R208 K209 M210 I215 Q216	R208-V212 WeakPolarHBondContact O-CB 3.45Å; R208-V212 WeakPolarHBondContact O-CG2 3.48Å; K209-V212 PolarHBondContact O-N 2.64Å; M210-V212 VanDerWaalsContact C-N 3.32Å; M210-V212 PolarHBondContact O-N 3.38Å; V212-I215 PolarHBondContact O-N 3.09Å; V212-Q216 VanDerWaalsContact CG1-CD 3.4Å; V212-Q216 HydrophobicContact CG1-CG 4.03Å; V212-Q216 WeakPolarHBondContact O-CG 3.23Å; V212-Q216 PolarHBondContact O-N 3.39Å
213	A	30.2	Very low	35.9	Very low	28 Å²	28	95.1 Å²	95.1	23%	0.231	49%	0.486	C	S	.	.	H	α-helix	trans	-63.9	-46	-175	0	0	0	0	0	112.5	K209 I215 Q216 D217	K209-A213 WeakPolarHBondContact O-CB 2.95Å; K209-A213 PolarHBondContact O-N 3.13Å; A213-I215 PolarHBondContact O-N 2.93Å; A213-Q216 PolarHBondContact O-N 3.39Å; A213-D217 PolarHBondContact O-N 2.91Å
214	N	39.5	Very low	35.9	Very low	87 Å²	87	96.2 Å²	96.2	47%	0.465	50%	0.495	S	S	.	.	H	α-helix	trans	-60.7	-9.4	177.2	-76.6	6.6	0	0	0	114.3
215	I	39.6	Very low	35.9	Very low	34 Å²	34	100.8 Å²	100.8	17%	0.174	51%	0.512	C	S	.	.	H	α-helix	trans	-109.3	-36.1	174.2	-59.4	175.7	0	0	0	110.9	V212 A213 H219 Y738	V212-I215 PolarHBondContact O-N 3.09Å; A213-I215 PolarHBondContact O-N 2.93Å; I215-H219 PolarHBondContact O-ND1 2.94Å; I215-Y738 HydrophobicContact CD1-CD1 4.49Å; I215-Y738 HydrophobicContact CD1-CD2 3.58Å; I215-Y738 HydrophobicContact CD1-CE2 3.85Å; I215-Y738 HydrophobicContact CD1-CG 3.93Å
216	Q	30.3	Very low	36.2	Very low	128 Å²	128	106.1 Å²	106.1	60%	0.598	53%	0.53	S	S	*	.	H	α-helix	trans	-76.2	-37.5	-178.3	-73.1	-173.4	-13.2	0	0	113.8	V212 A213 V218 H219	V212-Q216 VanDerWaalsContact CG1-CD 3.4Å; V212-Q216 HydrophobicContact CG1-CG 4.03Å; V212-Q216 WeakPolarHBondContact O-CG 3.23Å; V212-Q216 PolarHBondContact O-N 3.39Å; A213-Q216 PolarHBondContact O-N 3.39Å; Q216-V218 PolarHBondContact O-N 3.17Å; Q216-H219 WeakPolarHBondContact O-CB 3.37Å; Q216-H219 PolarHBondContact O-N 2.64Å
217	D	34.6	Very low	36.8	Very low	139 Å²	139	108.4 Å²	108.4	74%	0.743	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.5	179.2	-67.2	-44.9	0	0	0	112.9	A213	A213-D217 PolarHBondContact O-N 2.91Å
218	V	36.8	Very low	37.6	Very low	63 Å²	63	114.5 Å²	114.5	38%	0.382	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-15.1	174.8	-169	0	0	0	0	112.5	Q216 L220 H726	Q216-V218 PolarHBondContact O-N 3.17Å; V218-L220 PolarHBondContact O-N 3.15Å; V218-H726 HydrophobicContact CG1-CB 4.2Å
219	H	32.7	Very low	39.6	Very low	128 Å²	128	109.7 Å²	109.7	59%	0.593	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-3.3	-169.7	-104.4	73.3	0	0	0	116.3	I215 Q216	I215-H219 PolarHBondContact O-ND1 2.94Å; Q216-H219 WeakPolarHBondContact O-CB 3.37Å; Q216-H219 PolarHBondContact O-N 2.64Å
220	L	30.7	Very low	41.8	Very low	145 Å²	145	103.5 Å²	103.5	76%	0.759	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-18	-173.3	-72.8	169.4	0	0	0	115.4	V218 H222	V218-L220 PolarHBondContact O-N 3.15Å; L220-H222 PolarHBondContact O-N 2.85Å; L220-H222 PolarHBondContact O-ND1 3.21Å
221	R	31.7	Very low	44.2	Very low	177 Å²	177	101.7 Å²	101.7	67%	0.668	53%	0.534	S	S	*	.	S	Bend	trans	-82.9	120.3	179.7	-66.3	-169.7	-175.4	-99.9	7.2	110.3	E234	R221-E234 IonicContact CZ-OE2 3.61Å; R221-E234 VanDerWaalsContact CZ-OE2 3.22Å; R221-E234 VanDerWaalsContact NH1-CD 3.28Å; R221-E234 IonicContact NH1-OE1 2.8Å; R221-E234 PolarHBondContact NH1-OE1 2.96Å; R221-E234 VanDerWaalsContact NH1-OE1 3.15Å; R221-E234 IonicContact NH1-OE2 2.69Å; R221-E234 PolarHBondContact NH1-OE2 2.99Å; R221-E234 IonicContact NH2-OE2 3.75Å; R221-E234 PolarHBondContact NH2-OE2 3.23Å
222	H	31.3	Very low	46.6	Very low	162 Å²	162	104.1 Å²	104.1	75%	0.75	54%	0.541	S	S	*	.			trans	-70.8	166	-161.1	-81	40.8	0	0	0	115.5	L220	L220-H222 PolarHBondContact O-N 2.85Å; L220-H222 PolarHBondContact O-ND1 3.21Å
223	S	35.5	Very low	49.1	Very low	102 Å²	102	102.8 Å²	102.8	71%	0.713	53%	0.533	S	S	*	.	S	Bend	trans	-38.5	144.1	164.9	-176.5	0	0	0	0	113	M225	S223-M225 VanDerWaalsContact C-N 3.34Å; S223-M225 PolarHBondContact O-N 2.86Å
224	P	39.4	Very low	51.9	Low	90 Å²	90	107.6 Å²	107.6	58%	0.584	55%	0.551	S	S	*	*			trans	-65.9	87.1	-175.7	28.1	-36.8	0	0	0	112.7
225	M	37.4	Very low	54.4	Low	153 Å²	153	106.9 Å²	106.9	75%	0.754	54%	0.544	S	S	*	.			trans	-55	146.1	152.3	-62.8	-167.7	-176.5	0	0	108.4	S223 I227	S223-M225 VanDerWaalsContact C-N 3.34Å; S223-M225 PolarHBondContact O-N 2.86Å; M225-I227 PolarHBondContact O-N 3.12Å
226	K	43.3	Very low	56.9	Low	204 Å²	204	106.9 Å²	106.9	89%	0.887	55%	0.546	S	S	*	.			trans	-59.5	107.8	174.1	-71.9	-175.5	175.8	-175.9	0	108.8	T228	K226-T228 PolarHBondContact O-N 2.77Å; K226-T228 VanDerWaalsContact O-N 3.08Å
227	I	55.3	Low	59.9	Low	112 Å²	112	107.2 Å²	107.2	57%	0.574	55%	0.552	S	S	*	*			trans	-64.2	111.4	178.9	-58.5	174.5	0	0	0	107.4	M225 N229	M225-I227 PolarHBondContact O-N 3.12Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 WeakPolarHBondContact CG2-O 3.37Å
228	T	58.7	Low	62.7	Low	149 Å²	149	103 Å²	103	91%	0.914	53%	0.53	S	S	*	.	S	Bend	trans	-76.8	-20.3	-174	46.5	0	0	0	0	113.2	K226	K226-T228 PolarHBondContact O-N 2.77Å; K226-T228 VanDerWaalsContact O-N 3.08Å
229	N	76.6	Confident	65.3	Low	75 Å²	75	103.9 Å²	103.9	40%	0.401	53%	0.529	S	S	.	.			trans	-151.6	116.4	167.2	179.5	-11.5	0	0	0	108.4	I227 W231 N232	I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 WeakPolarHBondContact CG2-O 3.37Å; N229-W231 VanDerWaalsContact C-N 3.27Å; N229-W231 PolarHBondContact O-N 2.95Å; N229-W231 PolarHBondContact OD1-N 3.5Å; N229-N232 HydrophobicContact CB-CB 4.15Å; N229-N232 PolarHBondContact O-N 3.17Å
230	P	83.6	Confident	67.9	Low	21 Å²	21	103.1 Å²	103.1	14%	0.136	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.6	-178.3	26.5	-33.9	0	0	0	112.9	N232 Y481 Y537	P230-N232 PolarHBondContact O-N 3.26Å; P230-Y481 HydrophobicContact CB-CD1 3.67Å; P230-Y481 HydrophobicContact CB-CD2 3.6Å; P230-Y481 HydrophobicContact CB-CE1 3.79Å; P230-Y481 HydrophobicContact CB-CE2 3.73Å; P230-Y481 HydrophobicContact CB-CG 3.56Å; P230-Y481 HydrophobicContact CG-CD1 3.63Å; P230-Y481 HydrophobicContact CG-CD2 4.16Å; P230-Y481 HydrophobicContact CG-CE1 4.18Å; P230-Y481 HydrophobicContact CG-CG 3.61Å; P230-Y537 PolarHBondContact O-OH 3.37Å
231	W	90.1	Very high	70.7	Confident	11 Å²	11	98 Å²	98	4%	0.042	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.6	-177.7	-48.4	107.5	0	0	0	113.8	N229 V233 A475 I476 D479 R533 Y537	N229-W231 VanDerWaalsContact C-N 3.27Å; N229-W231 PolarHBondContact O-N 2.95Å; N229-W231 PolarHBondContact OD1-N 3.5Å; W231-V233 PolarHBondContact O-N 3.16Å; W231-A475 HydrophobicContact CH2-CB 4.19Å; W231-A475 WeakPolarHBondContact CZ2-O 3.43Å; W231-I476 HydrophobicContact CD2-CG1 3.83Å; W231-I476 HydrophobicContact CE3-CD1 4.22Å; W231-I476 HydrophobicContact CE3-CG1 3.65Å; W231-I476 HydrophobicContact CG-CG1 4.35Å; W231-I476 HydrophobicContact CH2-CG1 4.43Å; W231-I476 HydrophobicContact CZ3-CG1 3.97Å; W231-D479 PolarHBondContact NE1-OD1 2.91Å; W231-R533 VanDerWaalsContact O-CD 3.27Å; W231-R533 WeakPolarHBondContact O-CD 3.3Å; W231-R533 WeakPolarHBondContact O-CG 3.48Å; W231-R533 PolarHBondContact O-NE 3.16Å; W231-Y537 HydrophobicContact CE3-CD2 4.29Å; W231-Y537 HydrophobicContact CE3-CE2 4.04Å; W231-Y537 HydrophobicContact CH2-CD2 4.38Å; W231-Y537 AromaticContact CZ3-CD2 3.74Å; W231-Y537 HydrophobicContact CZ3-CD2 3.74Å; W231-Y537 AromaticContact CZ3-CE2 3.93Å; W231-Y537 HydrophobicContact CZ3-CE2 3.93Å
232	N	87.9	Confident	73.6	Confident	124 Å²	124	93.2 Å²	93.2	66%	0.663	49%	0.485	S	S	*	.			trans	-88	77.8	176.3	-171.5	67.7	0	0	0	111	N229 P230	N229-N232 HydrophobicContact CB-CB 4.15Å; N229-N232 PolarHBondContact O-N 3.17Å; P230-N232 PolarHBondContact O-N 3.26Å
233	V	86.9	Confident	76.6	Confident	27 Å²	27	86.8 Å²	86.8	16%	0.164	46%	0.456	C	S	.	.			trans	-93.8	159.2	-179.2	-46.1	0	0	0	0	111.7	W231 F235 R533 Q536	W231-V233 PolarHBondContact O-N 3.16Å; V233-F235 HydrophobicContact CG2-CD2 4.13Å; V233-F235 HydrophobicContact CG2-CE2 3.67Å; V233-F235 HydrophobicContact CG2-CZ 4.33Å; V233-F235 WeakPolarHBondContact O-CD2 3.15Å; V233-R533 HydrophobicContact CG1-CB 4.48Å; V233-R533 HydrophobicContact CG1-CG 4.19Å; V233-R533 HydrophobicContact CG2-CB 4.41Å; V233-R533 HydrophobicContact CG2-CG 3.6Å; V233-Q536 HydrophobicContact CB-CG 4.15Å; V233-Q536 HydrophobicContact CG1-CB 4.44Å; V233-Q536 HydrophobicContact CG1-CG 3.76Å
234	E	87.9	Confident	79.4	Confident	129 Å²	129	85.1 Å²	85.1	60%	0.603	44%	0.436	S	S	*	.			trans	-72.6	139.2	170.8	-70.2	164.5	177.6	0	0	110.7	R221 H532	R221-E234 IonicContact CZ-OE2 3.61Å; R221-E234 VanDerWaalsContact CZ-OE2 3.22Å; R221-E234 VanDerWaalsContact NH1-CD 3.28Å; R221-E234 IonicContact NH1-OE1 2.8Å; R221-E234 PolarHBondContact NH1-OE1 2.96Å; R221-E234 VanDerWaalsContact NH1-OE1 3.15Å; R221-E234 IonicContact NH1-OE2 2.69Å; R221-E234 PolarHBondContact NH1-OE2 2.99Å; R221-E234 IonicContact NH2-OE2 3.75Å; R221-E234 PolarHBondContact NH2-OE2 3.23Å; E234-H532 PolarHBondContact O-NE2 3Å
235	F	92.4	Very high	82	Confident	71 Å²	71	82.5 Å²	82.5	31%	0.311	42%	0.419	S	S	.	.			trans	-109.9	112.8	176.7	-81.2	-105.5	0	0	0	109.3	V233 P525 P529 H532 R533	V233-F235 HydrophobicContact CG2-CD2 4.13Å; V233-F235 HydrophobicContact CG2-CE2 3.67Å; V233-F235 HydrophobicContact CG2-CZ 4.33Å; V233-F235 WeakPolarHBondContact O-CD2 3.15Å; F235-P525 HydrophobicContact CD1-CB 4.14Å; F235-P525 WeakPolarHBondContact CE1-O 3.42Å; F235-P529 HydrophobicContact CE1-CB 3.67Å; F235-P529 HydrophobicContact CZ-CB 3.78Å; F235-H532 AromaticContact CD1-CD2 3.84Å; F235-H532 HydrophobicContact CE1-CB 4.4Å; F235-H532 AromaticContact CE1-CD2 3.76Å; F235-H532 AromaticContact CZ-CD2 3.93Å; F235-R533 HydrophobicContact CE2-CG 4.32Å; F235-R533 HydrophobicContact CZ-CG 4.15Å
236	P	91.8	Very high	84.7	Confident	35 Å²	35	78 Å²	78	23%	0.227	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-59.5	155.8	163.3	-24	36.3	0	0	0	110.9	P525 M596	P236-P525 VanDerWaalsContact O-CG 3.32Å; P236-P525 WeakPolarHBondContact O-CG 3.27Å; P236-M596 HydrophobicContact CB-CE 4.25Å; P236-M596 HydrophobicContact CG-CE 3.82Å; P236-M596 HydrophobicContact CG-CG 4.32Å
237	N	92.6	Very high	87	Confident	135 Å²	135	72.9 Å²	72.9	72%	0.722	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-58.5	149	172.9	-64	-30	0	0	0	110.7	R594	N237-R594 PolarHBondContact O-NH2 2.96Å
238	D	94.2	Very high	88.9	Confident	51 Å²	51	67.5 Å²	67.5	27%	0.273	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-71.6	141.6	168.3	-79.4	19.6	0	0	0	110.6	R524 P525 S526	D238-R524 HydrophobicContact CB-CB 4.27Å; D238-R524 HydrophobicContact CB-CG 4.22Å; D238-R524 VanDerWaalsContact CG-CA 3.48Å; D238-R524 VanDerWaalsContact OD1-C 3.24Å; D238-R524 WeakPolarHBondContact OD1-CA 3.24Å; D238-R524 WeakPolarHBondContact OD2-CB 3.45Å; D238-P525 WeakPolarHBondContact OD1-CD 3.2Å; D238-S526 WeakPolarHBondContact OD1-CB 3.39Å; D238-S526 PolarHBondContact OD1-N 2.83Å; D238-S526 PolarHBondContact OD1-OG 2.92Å
239	E	90.9	Very high	90.7	Very high	81 Å²	81	60.6 Å²	60.6	38%	0.379	31%	0.31	S	S	.	.			trans	-134.9	135.6	173.7	-58.6	164.3	176	0	0	108.6	F241 A523 R524 R594	E239-F241 HydrophobicContact CB-CD2 4.16Å; E239-F241 HydrophobicContact CB-CE2 3.78Å; E239-F241 HydrophobicContact CB-CZ 4.41Å; E239-F241 PolarHBondContact O-N 3.33Å; E239-F241 WeakPolarHBondContact OE2-CE2 3.46Å; E239-F241 WeakPolarHBondContact OE2-CZ 3.4Å; E239-A523 PolarHBondContact N-O 3.37Å; E239-R524 WeakPolarHBondContact O-CG 3.3Å; E239-R594 VanDerWaalsContact CD-NH1 3.33Å; E239-R594 IonicContact OE1-NE 3.62Å; E239-R594 WeakPolarHBondContact OE2-CD 3.41Å; E239-R594 IonicContact OE2-CZ 3.52Å; E239-R594 VanDerWaalsContact OE2-CZ 3.24Å; E239-R594 IonicContact OE2-NE 3.62Å; E239-R594 PolarHBondContact OE2-NE 2.76Å; E239-R594 IonicContact OE2-NH1 2.72Å; E239-R594 PolarHBondContact OE2-NH1 3.29Å
240	D	87.1	Confident	91.7	Very high	112 Å²	112	57 Å²	57	60%	0.599	29%	0.291	S	S	*	.			trans	-91.2	73.1	-173.2	-78.3	-59.2	0	0	0	112.2	R524 K527	D240-R524 WeakPolarHBondContact OD1-CD 3.41Å; D240-R524 IonicContact OD1-CZ 3.54Å; D240-R524 IonicContact OD1-NE 3.66Å; D240-R524 IonicContact OD1-NH1 3.53Å; D240-R524 PolarHBondContact OD1-NH1 3.43Å; D240-K527 IonicContact OD1-NZ 3.65Å
241	F	90.6	Very high	92.2	Very high	37 Å²	37	57.2 Å²	57.2	16%	0.162	29%	0.29	C	S	.	.			trans	-76.3	148.1	168	-64.7	-71.3	0	0	0	112.6	E239 I252 E254 I262 A523 F590	E239-F241 HydrophobicContact CB-CD2 4.16Å; E239-F241 HydrophobicContact CB-CE2 3.78Å; E239-F241 HydrophobicContact CB-CZ 4.41Å; E239-F241 PolarHBondContact O-N 3.33Å; E239-F241 WeakPolarHBondContact OE2-CE2 3.46Å; E239-F241 WeakPolarHBondContact OE2-CZ 3.4Å; F241-I252 HydrophobicContact CB-CG2 4Å; F241-I252 HydrophobicContact CD1-CG2 3.9Å; F241-I252 HydrophobicContact CG-CG2 3.99Å; F241-E254 HydrophobicContact CE1-CG 4.41Å; F241-I262 HydrophobicContact CD1-CD1 4.18Å; F241-I262 HydrophobicContact CE1-CD1 3.62Å; F241-I262 HydrophobicContact CZ-CD1 4.31Å; F241-A523 HydrophobicContact CD2-CB 4.21Å; F241-F590 AromaticContact CD2-CE2 3.66Å; F241-F590 HydrophobicContact CD2-CE2 3.66Å; F241-F590 AromaticContact CD2-CZ 3.56Å; F241-F590 HydrophobicContact CD2-CZ 3.56Å; F241-F590 AromaticContact CE2-CE2 3.52Å; F241-F590 HydrophobicContact CE2-CE2 3.52Å; F241-F590 AromaticContact CE2-CZ 3.87Å; F241-F590 HydrophobicContact CE2-CZ 3.87Å; F241-F590 HydrophobicContact CG-CE2 4.45Å; F241-F590 HydrophobicContact CG-CZ 4.36Å; F241-F590 HydrophobicContact CZ-CE2 4.25Å
242	K	92	Very high	92.4	Very high	77 Å²	77	56.7 Å²	56.7	34%	0.335	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	165.1	-170.4	64.1	152.6	-134.9	0	109.5	I252 Y253 D256	K242-I252 CarbonylContact O-C 3.57Å; K242-I252 WeakPolarHBondContact O-CA 3.37Å; K242-Y253 PolarHBondContact N-O 2.74Å; K242-Y253 PolarHBondContact O-N 2.87Å; K242-D256 IonicContact NZ-OD1 2.75Å; K242-D256 PolarHBondContact NZ-OD1 3.38Å
243	I	94.6	Very high	92.6	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.138	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.8	179	-63.1	144.3	0	0	0	108.3	F250 I252 L516 F519 E520 A523	I243-F250 HydrophobicContact CG2-CD1 3.64Å; I243-F250 HydrophobicContact CG2-CE1 4.26Å; I243-F250 HydrophobicContact CG2-CG 4.48Å; I243-I252 HydrophobicContact CG1-CG1 4.39Å; I243-L516 HydrophobicContact CB-CD1 4.25Å; I243-L516 HydrophobicContact CG2-CD1 3.64Å; I243-F519 HydrophobicContact CD1-CB 3.81Å; I243-F519 HydrophobicContact CG1-CB 4.18Å; I243-F519 HydrophobicContact CG2-CB 3.86Å; I243-F519 HydrophobicContact CG2-CG 4.18Å; I243-E520 HydrophobicContact CD1-CG 4.38Å; I243-A523 HydrophobicContact CD1-CB 4.25Å
244	K	93.4	Very high	92.6	Very high	67 Å²	67	55.7 Å²	55.7	29%	0.291	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	133.1	-175.8	-177.6	174.2	-179.3	173.4	0	111.5	L246 H251 Y253 E258	K244-L246 HydrophobicContact CD-CD2 4.37Å; K244-L246 HydrophobicContact CG-CD2 4.43Å; K244-H251 PolarHBondContact N-O 3.49Å; K244-H251 PolarHBondContact O-N 3.05Å; K244-Y253 HydrophobicContact CB-CE2 4.24Å; K244-E258 VanDerWaalsContact CD-OE1 3.32Å; K244-E258 WeakPolarHBondContact CD-OE1 3.28Å; K244-E258 IonicContact NZ-OE1 3.41Å; K244-E258 PolarHBondContact NZ-OE1 3.13Å; K244-E258 IonicContact NZ-OE2 3.46Å; K244-E258 PolarHBondContact NZ-OE2 3.29Å
245	P	94.5	Very high	92.2	Very high	35 Å²	35	53.2 Å²	53.2	23%	0.227	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.3	169.3	32.3	-31.2	0	0	0	110.4	V249 F250 Q508	P245-V249 CarbonylContact C-O 3.35Å; P245-V249 WeakPolarHBondContact CA-O 3.34Å; P245-F250 HydrophobicContact CB-CD1 4.16Å; P245-F250 HydrophobicContact CB-CE1 3.83Å; P245-F250 HydrophobicContact CB-CZ 4.03Å; P245-F250 HydrophobicContact CG-CE1 4.01Å; P245-F250 HydrophobicContact CG-CZ 4.36Å; P245-Q508 VanDerWaalsContact CB-NE2 3.29Å
246	L	93.1	Very high	91.4	Very high	58 Å²	58	55.6 Å²	55.6	30%	0.304	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.7	166.9	-60.6	176.9	0	0	0	108.3	K244 G248 V249 Y253	K244-L246 HydrophobicContact CD-CD2 4.37Å; K244-L246 HydrophobicContact CG-CD2 4.43Å; L246-G248 PolarHBondContact O-N 2.78Å; L246-V249 PolarHBondContact N-O 3.23Å; L246-V249 PolarHBondContact O-N 2.7Å; L246-Y253 WeakPolarHBondContact CD1-OH 3.28Å
247	N	93.2	Very high	90.6	Very high	96 Å²	96	60.8 Å²	60.8	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	25.8	177	-58.1	-60.1	0	0	0	114.2	R561 P562 E563 Y579	N247-R561 HydrophobicContact CB-CG 4.29Å; N247-P562 WeakPolarHBondContact O-CD 3.4Å; N247-E563 PolarHBondContact N-OE1 3Å; N247-Y579 VanDerWaalsContact O-CE1 3.28Å; N247-Y579 WeakPolarHBondContact O-CE1 3.5Å; N247-Y579 PolarHBondContact O-OH 3.12Å
248	G	94.3	Very high	90.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	-8.8	-176	0	0	0	0	0	117.5	L246 Q508 Y579 N583	L246-G248 PolarHBondContact O-N 2.78Å; G248-Q508 VanDerWaalsContact CA-OE1 3.23Å; G248-Y579 WeakPolarHBondContact O-CD1 3.29Å; G248-N583 PolarHBondContact O-ND2 3.27Å
249	V	97	Very high	89	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.3	-179.8	-173.8	0	0	0	0	110.6	P245 L246 H251 Y266 Y579 A582 N583 V586	P245-V249 CarbonylContact C-O 3.35Å; P245-V249 WeakPolarHBondContact CA-O 3.34Å; L246-V249 PolarHBondContact N-O 3.23Å; L246-V249 PolarHBondContact O-N 2.7Å; V249-H251 PolarHBondContact O-CD2 3.15Å; V249-H251 VanDerWaalsContact O-CD2 3.32Å; V249-Y266 HydrophobicContact CB-CE2 4.21Å; V249-Y266 HydrophobicContact CG1-CD1 4.48Å; V249-Y266 HydrophobicContact CG1-CD2 4.34Å; V249-Y266 HydrophobicContact CG1-CE1 4.04Å; V249-Y266 HydrophobicContact CG1-CE2 3.89Å; V249-Y266 HydrophobicContact CG2-CE2 3.9Å; V249-Y579 HydrophobicContact CG2-CD1 4.36Å; V249-Y579 HydrophobicContact CG2-CE1 4.31Å; V249-A582 HydrophobicContact CG1-CB 4.45Å; V249-A582 HydrophobicContact CG2-CB 3.89Å; V249-N583 WeakPolarHBondContact CA-OD1 3.27Å; V249-V586 HydrophobicContact CG1-CG2 4.12Å
250	F	96.6	Very high	88.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.4	177	-79.9	-78.6	0	0	0	112.4	I243 P245 N512 F515 L516 F519 N583 V586	I243-F250 HydrophobicContact CG2-CD1 3.64Å; I243-F250 HydrophobicContact CG2-CE1 4.26Å; I243-F250 HydrophobicContact CG2-CG 4.48Å; P245-F250 HydrophobicContact CB-CD1 4.16Å; P245-F250 HydrophobicContact CB-CE1 3.83Å; P245-F250 HydrophobicContact CB-CZ 4.03Å; P245-F250 HydrophobicContact CG-CE1 4.01Å; P245-F250 HydrophobicContact CG-CZ 4.36Å; F250-N512 WeakPolarHBondContact CZ-OD1 3.4Å; F250-F515 HydrophobicContact CD2-CB 3.86Å; F250-F515 HydrophobicContact CE2-CB 3.72Å; F250-L516 HydrophobicContact CE1-CB 4.14Å; F250-L516 HydrophobicContact CE1-CD1 4Å; F250-L516 HydrophobicContact CZ-CB 3.96Å; F250-F519 HydrophobicContact CB-CD2 3.95Å; F250-F519 HydrophobicContact CB-CE1 4.38Å; F250-F519 HydrophobicContact CB-CE2 3.42Å; F250-F519 VanDerWaalsContact CB-CE2 3.42Å; F250-F519 HydrophobicContact CB-CZ 3.67Å; F250-F519 HydrophobicContact CD1-CD2 4.43Å; F250-F519 HydrophobicContact CD2-CD2 4.09Å; F250-F519 AromaticContact CD2-CE2 3.75Å; F250-F519 HydrophobicContact CD2-CE2 3.75Å; F250-F519 AromaticContact CG-CD2 3.88Å; F250-F519 HydrophobicContact CG-CD2 3.88Å; F250-F519 AromaticContact CG-CE2 3.68Å; F250-F519 HydrophobicContact CG-CE2 3.68Å; F250-F519 HydrophobicContact CG-CZ 4.42Å; F250-N583 VanDerWaalsContact CD2-OD1 3.31Å; F250-N583 WeakPolarHBondContact CD2-OD1 3.34Å; F250-N583 PolarHBondContact N-OD1 3.19Å; F250-V586 WeakPolarHBondContact O-CG1 3.32Å
251	H	94.8	Very high	88.8	Confident	24 Å²	24	55.3 Å²	55.3	11%	0.111	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.6	171.7	-64.3	-105.9	0	0	0	110.2	K244 V249 Y253 E261 Y266	K244-H251 PolarHBondContact N-O 3.49Å; K244-H251 PolarHBondContact O-N 3.05Å; V249-H251 PolarHBondContact O-CD2 3.15Å; V249-H251 VanDerWaalsContact O-CD2 3.32Å; H251-Y253 HydrophobicContact CB-CE2 3.82Å; H251-E261 IonicContact CE1-OE1 3.81Å; H251-E261 IonicContact CG-OE1 3.62Å; H251-E261 IonicContact ND1-OE1 2.76Å; H251-E261 PolarHBondContact ND1-OE1 3.43Å; H251-Y266 PolarHBondContact CE1-OH 3Å; H251-Y266 PolarHBondContact NE2-OH 3.11Å
252	I	93.9	Very high	88.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134	-175.9	-64.7	159.7	0	0	0	108.8	F241 K242 I243 I262 Y264 F519 V586 F590	F241-I252 HydrophobicContact CB-CG2 4Å; F241-I252 HydrophobicContact CD1-CG2 3.9Å; F241-I252 HydrophobicContact CG-CG2 3.99Å; K242-I252 CarbonylContact O-C 3.57Å; K242-I252 WeakPolarHBondContact O-CA 3.37Å; I243-I252 HydrophobicContact CG1-CG1 4.39Å; I252-I262 HydrophobicContact CG2-CD1 4.22Å; I252-I262 PolarHBondContact O-N 3.08Å; I252-Y264 HydrophobicContact CD1-CD2 4.35Å; I252-Y264 HydrophobicContact CD1-CE2 3.82Å; I252-F519 HydrophobicContact CD1-CD1 3.97Å; I252-F519 HydrophobicContact CD1-CE1 3.87Å; I252-F519 HydrophobicContact CG1-CD1 4.39Å; I252-F519 HydrophobicContact CG1-CE1 4.48Å; I252-V586 HydrophobicContact CD1-CG1 4.33Å; I252-F590 HydrophobicContact CD1-CB 3.68Å; I252-F590 HydrophobicContact CD1-CD1 3.64Å; I252-F590 HydrophobicContact CD1-CD2 3.99Å; I252-F590 HydrophobicContact CD1-CE1 4.21Å; I252-F590 HydrophobicContact CD1-CG 3.5Å; I252-F590 VanDerWaalsContact CD1-CG 3.5Å
253	Y	92.8	Very high	88.5	Confident	13 Å²	13	59.4 Å²	59.4	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.9	178.9	-48.7	-103.6	0	0	0	111.2	K242 K244 L246 H251 N255 E258 S260 E261	K242-Y253 PolarHBondContact N-O 2.74Å; K242-Y253 PolarHBondContact O-N 2.87Å; K244-Y253 HydrophobicContact CB-CE2 4.24Å; L246-Y253 WeakPolarHBondContact CD1-OH 3.28Å; H251-Y253 HydrophobicContact CB-CE2 3.82Å; Y253-N255 VanDerWaalsContact C-N 3.32Å; Y253-E258 HydrophobicContact CD1-CB 4.2Å; Y253-E258 VanDerWaalsContact CD1-O 3.27Å; Y253-E258 WeakPolarHBondContact CD1-O 3.49Å; Y253-E258 HydrophobicContact CE1-CB 4.22Å; Y253-E258 WeakPolarHBondContact CE1-O 3.43Å; Y253-S260 CarbonylContact C-O 3.54Å; Y253-S260 WeakPolarHBondContact CA-O 3.35Å; Y253-S260 WeakPolarHBondContact CB-O 3.45Å; Y253-E261 HydrophobicContact CD1-CB 3.69Å; Y253-E261 HydrophobicContact CD1-CG 4.09Å; Y253-E261 HydrophobicContact CE1-CB 3.64Å; Y253-E261 HydrophobicContact CE1-CG 3.75Å
254	E	86.9	Confident	88.3	Confident	117 Å²	117	60.4 Å²	60.4	55%	0.547	31%	0.31	S	S	.	.	S	Bend	trans	-73.5	-23.4	178.6	-61.7	-178.3	148	0	0	113	F241 S260 I262	F241-E254 HydrophobicContact CE1-CG 4.41Å; E254-S260 PolarHBondContact N-O 3.11Å; E254-I262 HydrophobicContact CG-CD1 3.85Å; E254-I262 HydrophobicContact CG-CG1 3.78Å
255	N	79.8	Confident	88.2	Confident	77 Å²	77	62.1 Å²	62.1	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	-128.3	145.2	-173.9	-65.2	-62.6	0	0	0	110.7	Y253 D257 E258 S260	Y253-N255 VanDerWaalsContact C-N 3.32Å; N255-D257 PolarHBondContact O-N 3.36Å; N255-E258 PolarHBondContact O-N 3.45Å; N255-S260 WeakPolarHBondContact ND2-CB 3.27Å; N255-S260 PolarHBondContact ND2-OG 2.95Å
256	D	75.2	Confident	88.2	Confident	121 Å²	121	63.3 Å²	63.3	65%	0.647	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.5	179.5	-106.2	-42.4	0	0	0	113.7	K242 E258	K242-D256 IonicContact NZ-OD1 2.75Å; K242-D256 PolarHBondContact NZ-OD1 3.38Å; D256-E258 PolarHBondContact O-N 3.09Å; D256-E258 VanDerWaalsContact O-N 3.16Å
257	D	75.7	Confident	88.2	Confident	144 Å²	144	60.5 Å²	60.5	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	6.3	178.6	-65.6	-37.9	0	0	0	114.1	N255 S259	N255-D257 PolarHBondContact O-N 3.36Å; D257-S259 PolarHBondContact O-N 2.99Å
258	E	80.6	Confident	88.1	Confident	77 Å²	77	60 Å²	60	36%	0.36	30%	0.302	S	S	.	.	S	Bend	trans	56.2	15.2	-177.6	-57.4	-176.3	-172	0	0	114.6	K244 Y253 N255 D256	K244-E258 VanDerWaalsContact CD-OE1 3.32Å; K244-E258 WeakPolarHBondContact CD-OE1 3.28Å; K244-E258 IonicContact NZ-OE1 3.41Å; K244-E258 PolarHBondContact NZ-OE1 3.13Å; K244-E258 IonicContact NZ-OE2 3.46Å; K244-E258 PolarHBondContact NZ-OE2 3.29Å; Y253-E258 HydrophobicContact CD1-CB 4.2Å; Y253-E258 VanDerWaalsContact CD1-O 3.27Å; Y253-E258 WeakPolarHBondContact CD1-O 3.49Å; Y253-E258 HydrophobicContact CE1-CB 4.22Å; Y253-E258 WeakPolarHBondContact CE1-O 3.43Å; N255-E258 PolarHBondContact O-N 3.45Å; D256-E258 PolarHBondContact O-N 3.09Å; D256-E258 VanDerWaalsContact O-N 3.16Å
259	S	72.8	Confident	88	Confident	86 Å²	86	60 Å²	60	60%	0.601	30%	0.302	S	S	*	.			trans	-88.2	-9.9	-169.7	61.5	0	0	0	0	114.9	D257	D257-S259 PolarHBondContact O-N 2.99Å
260	S	84.1	Confident	87.8	Confident	38 Å²	38	61.9 Å²	61.9	27%	0.266	32%	0.315	S	S	.	.	S	Bend	trans	-136.4	86.4	-174.9	-50.9	0	0	0	0	109.7	Y253 E254 N255	Y253-S260 CarbonylContact C-O 3.54Å; Y253-S260 WeakPolarHBondContact CA-O 3.35Å; Y253-S260 WeakPolarHBondContact CB-O 3.45Å; E254-S260 PolarHBondContact N-O 3.11Å; N255-S260 WeakPolarHBondContact ND2-CB 3.27Å; N255-S260 PolarHBondContact ND2-OG 2.95Å
261	E	88.4	Confident	87.7	Confident	63 Å²	63	64.8 Å²	64.8	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.5	-177.4	-170.2	-168.3	161.3	0	0	111.5	H251 Y253 K263	H251-E261 IonicContact CE1-OE1 3.81Å; H251-E261 IonicContact CG-OE1 3.62Å; H251-E261 IonicContact ND1-OE1 2.76Å; H251-E261 PolarHBondContact ND1-OE1 3.43Å; Y253-E261 HydrophobicContact CD1-CB 3.69Å; Y253-E261 HydrophobicContact CD1-CG 4.09Å; Y253-E261 HydrophobicContact CE1-CB 3.64Å; Y253-E261 HydrophobicContact CE1-CG 3.75Å; E261-K263 HydrophobicContact CB-CG 4.42Å; E261-K263 HydrophobicContact CG-CG 4.08Å; E261-K263 PolarHBondContact O-N 3.22Å; E261-K263 WeakPolarHBondContact OE2-CE 3.41Å; E261-K263 IonicContact OE2-NZ 3.18Å; E261-K263 PolarHBondContact OE2-NZ 3.42Å
262	I	88.6	Confident	87.8	Confident	39 Å²	39	63.6 Å²	63.6	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	98.9	169.3	-51.8	-177	0	0	0	108.3	F241 I252 E254 Y264	F241-I262 HydrophobicContact CD1-CD1 4.18Å; F241-I262 HydrophobicContact CE1-CD1 3.62Å; F241-I262 HydrophobicContact CZ-CD1 4.31Å; I252-I262 HydrophobicContact CG2-CD1 4.22Å; I252-I262 PolarHBondContact O-N 3.08Å; E254-I262 HydrophobicContact CG-CD1 3.85Å; E254-I262 HydrophobicContact CG-CG1 3.78Å; I262-Y264 HydrophobicContact CB-CE2 4.07Å; I262-Y264 HydrophobicContact CG2-CD2 4.19Å; I262-Y264 HydrophobicContact CG2-CE1 4.07Å; I262-Y264 HydrophobicContact CG2-CE2 3.53Å; I262-Y264 VanDerWaalsContact CG2-CZ 3.5Å; I262-Y264 WeakPolarHBondContact O-CD2 3.12Å; I262-Y264 PolarHBondContact O-N 3.33Å
263	K	87.6	Confident	87.8	Confident	162 Å²	162	63.6 Å²	63.6	70%	0.704	32%	0.324	S	S	*	.			trans	-79.4	110.4	-177.7	-65.5	-166.9	168.8	-170.1	0	111.6	E261	E261-K263 HydrophobicContact CB-CG 4.42Å; E261-K263 HydrophobicContact CG-CG 4.08Å; E261-K263 PolarHBondContact O-N 3.22Å; E261-K263 WeakPolarHBondContact OE2-CE 3.41Å; E261-K263 IonicContact OE2-NZ 3.18Å; E261-K263 PolarHBondContact OE2-NZ 3.42Å
264	Y	91.6	Very high	87.9	Confident	48 Å²	48	66.9 Å²	66.9	19%	0.188	34%	0.342	C	S	.	.			trans	-99.3	142.9	170.5	-63.6	-70.3	0	0	0	110.2	I252 I262 Y266 V586 K589 F590 S593	I252-Y264 HydrophobicContact CD1-CD2 4.35Å; I252-Y264 HydrophobicContact CD1-CE2 3.82Å; I262-Y264 HydrophobicContact CB-CE2 4.07Å; I262-Y264 HydrophobicContact CG2-CD2 4.19Å; I262-Y264 HydrophobicContact CG2-CE1 4.07Å; I262-Y264 HydrophobicContact CG2-CE2 3.53Å; I262-Y264 VanDerWaalsContact CG2-CZ 3.5Å; I262-Y264 WeakPolarHBondContact O-CD2 3.12Å; I262-Y264 PolarHBondContact O-N 3.33Å; Y264-Y266 WeakPolarHBondContact O-CD1 3.45Å; Y264-V586 HydrophobicContact CD2-CG1 3.82Å; Y264-V586 HydrophobicContact CG-CG1 4.38Å; Y264-K589 HydrophobicContact CD1-CB 3.22Å; Y264-K589 HydrophobicContact CD1-CG 4.01Å; Y264-K589 HydrophobicContact CE1-CB 3.58Å; Y264-K589 HydrophobicContact CG-CB 3.8Å; Y264-K589 HydrophobicContact CG-CG 4.47Å; Y264-F590 HydrophobicContact CE2-CB 4.17Å; Y264-S593 PolarHBondContact OH-OG 2.95Å
265	E	91.3	Very high	88.3	Confident	103 Å²	103	62.3 Å²	62.3	48%	0.481	32%	0.321	S	S	.	.			trans	-78.4	127.4	-179	-170.5	-175.8	172.6	0	0	111.2	H169 M173 T585	H169-E265 IonicContact CE1-OE1 3.4Å; H169-E265 PolarHBondContact CE1-OE1 2.86Å; M173-E265 HydrophobicContact CG-CG 4.02Å; M173-E265 HydrophobicContact SD-CG 4.15Å; E265-T585 WeakPolarHBondContact O-CG2 3.49Å
266	Y	93.6	Very high	89	Confident	59 Å²	59	59 Å²	59	23%	0.231	30%	0.304	C	S	.	.			trans	-151.1	153.6	169.7	65.4	-85.7	0	0	0	108	V249 H251 Y264 A582 V586	V249-Y266 HydrophobicContact CB-CE2 4.21Å; V249-Y266 HydrophobicContact CG1-CD1 4.48Å; V249-Y266 HydrophobicContact CG1-CD2 4.34Å; V249-Y266 HydrophobicContact CG1-CE1 4.04Å; V249-Y266 HydrophobicContact CG1-CE2 3.89Å; V249-Y266 HydrophobicContact CG2-CE2 3.9Å; H251-Y266 PolarHBondContact CE1-OH 3Å; H251-Y266 PolarHBondContact NE2-OH 3.11Å; Y264-Y266 WeakPolarHBondContact O-CD1 3.45Å; Y266-A582 HydrophobicContact CD2-CB 4.11Å; Y266-V586 HydrophobicContact CD1-CG2 3.56Å; Y266-V586 HydrophobicContact CE1-CG2 4.08Å; Y266-V586 HydrophobicContact CG-CG2 4.17Å
267	P	92.6	Very high	89.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.			trans	-72.1	133.7	178.3	29.4	-30.6	0	0	0	109.3	Y170 M173 Q271 Y578 Y581	Y170-P267 HydrophobicContact CD1-CG 4.16Å; Y170-P267 HydrophobicContact CE1-CB 4.14Å; Y170-P267 HydrophobicContact CE1-CG 3.66Å; M173-P267 HydrophobicContact CE-CB 3.9Å; M173-P267 HydrophobicContact CE-CG 3.87Å; M173-P267 HydrophobicContact SD-CB 4.31Å; M173-P267 HydrophobicContact SD-CG 4.36Å; P267-Q271 HydrophobicContact CB-CG 4.27Å; P267-Y578 PolarHBondContact O-OH 3.25Å; P267-Y581 HydrophobicContact CG-CD1 4.31Å; P267-Y581 HydrophobicContact CG-CE1 3.65Å
268	D	91.8	Very high	90.8	Very high	85 Å²	85	53 Å²	53	46%	0.455	27%	0.27	S	S	.	.			trans	-72.1	165.7	171.5	77.4	50.3	0	0	0	111.5	S270 Q271 F272	D268-S270 PolarHBondContact O-N 3.06Å; D268-S270 VanDerWaalsContact OD1-CA 3.3Å; D268-S270 WeakPolarHBondContact OD1-CA 3.48Å; D268-S270 VanDerWaalsContact OD1-CB 3.26Å; D268-S270 WeakPolarHBondContact OD1-CB 3.38Å; D268-S270 PolarHBondContact OD1-N 3.11Å; D268-Q271 PolarHBondContact O-N 2.87Å; D268-Q271 PolarHBondContact OD1-N 2.8Å; D268-F272 PolarHBondContact O-N 3.19Å
269	M	92.8	Very high	91.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-34.3	-176.6	-171	-174.1	-163.3	0	0	111.8	V273 F555 V559 R561 Y578	M269-V273 VanDerWaalsContact O-CB 3.3Å; M269-V273 WeakPolarHBondContact O-CB 3.44Å; M269-V273 WeakPolarHBondContact O-CG2 3.42Å; M269-V273 PolarHBondContact O-N 3.29Å; M269-F555 HydrophobicContact CE-CD2 4.48Å; M269-F555 HydrophobicContact CE-CE1 4.44Å; M269-F555 HydrophobicContact CE-CE2 3.36Å; M269-F555 HydrophobicContact CE-CZ 3.36Å; M269-F555 HydrophobicContact CG-CE1 4.32Å; M269-F555 HydrophobicContact CG-CZ 3.97Å; M269-F555 HydrophobicContact SD-CZ 4.47Å; M269-V559 HydrophobicContact CE-CB 4.17Å; M269-R561 PolarHBondContact SD-NH1 3.15Å; M269-Y578 HydrophobicContact CB-CE1 4.12Å; M269-Y578 HydrophobicContact CG-CE1 4.29Å; M269-Y578 PolarHBondContact N-OH 3.13Å
270	S	93.1	Very high	92.6	Very high	43 Å²	43	47 Å²	47	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-76.4	-39.4	-178.6	-60.4	0	0	0	0	111.7	D268 N274 N557	D268-S270 PolarHBondContact O-N 3.06Å; D268-S270 VanDerWaalsContact OD1-CA 3.3Å; D268-S270 WeakPolarHBondContact OD1-CA 3.48Å; D268-S270 VanDerWaalsContact OD1-CB 3.26Å; D268-S270 WeakPolarHBondContact OD1-CB 3.38Å; D268-S270 PolarHBondContact OD1-N 3.11Å; S270-N274 WeakPolarHBondContact O-CB 2.95Å; S270-N274 PolarHBondContact O-N 3.4Å; S270-N274 PolarHBondContact O-ND2 2.59Å; S270-N557 WeakPolarHBondContact CA-OD1 3.24Å; S270-N557 WeakPolarHBondContact CB-OD1 3.37Å; S270-N557 PolarHBondContact OG-OD1 2.86Å
271	Q	94.2	Very high	93.2	Very high	60 Å²	60	50.6 Å²	50.6	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-56.7	-53.5	167.3	178.1	177.7	1.6	0	0	110.5	H169 P267 D268 V273 N274 D275	H169-Q271 PolarHBondContact NE2-NE2 2.87Å; P267-Q271 HydrophobicContact CB-CG 4.27Å; D268-Q271 PolarHBondContact O-N 2.87Å; D268-Q271 PolarHBondContact OD1-N 2.8Å; Q271-V273 PolarHBondContact O-N 3.01Å; Q271-N274 PolarHBondContact O-N 3.1Å; Q271-N274 VanDerWaalsContact O-N 3.16Å; Q271-D275 WeakPolarHBondContact CG-OD2 3.38Å; Q271-D275 VanDerWaalsContact O-CG 3.25Å; Q271-D275 PolarHBondContact O-N 3.38Å
272	F	95.6	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-40.2	-178	170.4	-109	0	0	0	113.5	Y170 D268 N274 D275 M276 F555 Y578 L619 M620	Y170-F272 HydrophobicContact CE1-CD2 4.03Å; Y170-F272 WeakPolarHBondContact OH-CA 3.33Å; D268-F272 PolarHBondContact O-N 3.19Å; F272-N274 VanDerWaalsContact C-N 3.33Å; F272-N274 PolarHBondContact O-N 2.96Å; F272-D275 PolarHBondContact O-N 3.38Å; F272-M276 HydrophobicContact CE1-SD 4.17Å; F272-M276 HydrophobicContact CE2-CB 4.25Å; F272-M276 HydrophobicContact CZ-CB 4.29Å; F272-M276 HydrophobicContact CZ-SD 3.85Å; F272-M276 WeakPolarHBondContact O-CB 3.49Å; F272-M276 PolarHBondContact O-N 3.35Å; F272-F555 HydrophobicContact CD1-CD1 4.06Å; F272-F555 AromaticContact CD1-CE1 3.73Å; F272-F555 HydrophobicContact CD1-CE1 3.73Å; F272-F555 AromaticContact CE1-CD1 3.69Å; F272-F555 HydrophobicContact CE1-CD1 3.69Å; F272-F555 AromaticContact CE1-CE1 3.68Å; F272-F555 HydrophobicContact CE1-CE1 3.68Å; F272-Y578 HydrophobicContact CB-CD2 3.82Å; F272-Y578 HydrophobicContact CB-CE2 3.96Å; F272-Y578 AromaticContact CD1-CD2 3.48Å; F272-Y578 HydrophobicContact CD1-CD2 3.48Å; F272-Y578 VanDerWaalsContact CD1-CD2 3.48Å; F272-Y578 HydrophobicContact CD1-CE2 4.35Å; F272-Y578 AromaticContact CD1-CG 3.87Å; F272-Y578 HydrophobicContact CD1-CG 3.87Å; F272-Y578 HydrophobicContact CE1-CD2 4.26Å; F272-Y578 HydrophobicContact CE1-CG 4.31Å; F272-Y578 AromaticContact CG-CD2 3.71Å; F272-Y578 HydrophobicContact CG-CD2 3.71Å; F272-Y578 HydrophobicContact CG-CE2 4.37Å; F272-L619 HydrophobicContact CD2-CD1 4.32Å; F272-L619 HydrophobicContact CE2-CD1 3.97Å; F272-M620 HydrophobicContact CD2-CE 4.24Å; F272-M620 HydrophobicContact CD2-SD 4.2Å; F272-M620 HydrophobicContact CE1-CE 4.21Å; F272-M620 HydrophobicContact CE2-CE 3.39Å; F272-M620 HydrophobicContact CE2-SD 3.93Å; F272-M620 HydrophobicContact CZ-CE 3.37Å; F272-M620 HydrophobicContact CZ-SD 4.25Å
273	V	94.8	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-44.8	172.8	162	0	0	0	0	111	M269 Q271 Q277 F555	M269-V273 VanDerWaalsContact O-CB 3.3Å; M269-V273 WeakPolarHBondContact O-CB 3.44Å; M269-V273 WeakPolarHBondContact O-CG2 3.42Å; M269-V273 PolarHBondContact O-N 3.29Å; Q271-V273 PolarHBondContact O-N 3.01Å; V273-Q277 WeakPolarHBondContact O-CB 3.3Å; V273-Q277 VanDerWaalsContact O-CG 3.28Å; V273-Q277 WeakPolarHBondContact O-CG 3.22Å; V273-Q277 PolarHBondContact O-N 3.29Å; V273-F555 HydrophobicContact CG2-CD1 3.9Å; V273-F555 HydrophobicContact CG2-CE1 4.13Å
274	N	95.1	Very high	94.2	Very high	82 Å²	82	43.3 Å²	43.3	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-46.6	178.1	-68.2	-26.5	0	0	0	111.7	S270 Q271 F272 M276 Q277 V278	S270-N274 WeakPolarHBondContact O-CB 2.95Å; S270-N274 PolarHBondContact O-N 3.4Å; S270-N274 PolarHBondContact O-ND2 2.59Å; Q271-N274 PolarHBondContact O-N 3.1Å; Q271-N274 VanDerWaalsContact O-N 3.16Å; F272-N274 VanDerWaalsContact C-N 3.33Å; F272-N274 PolarHBondContact O-N 2.96Å; N274-M276 VanDerWaalsContact C-N 3.34Å; N274-M276 PolarHBondContact O-N 3.49Å; N274-Q277 PolarHBondContact O-N 3.37Å; N274-Q277 VanDerWaalsContact O-N 3.17Å; N274-V278 WeakPolarHBondContact O-CG2 3.29Å; N274-V278 PolarHBondContact O-N 2.95Å
275	D	95.9	Very high	94.3	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.112	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-41.3	178.3	-66.4	-25.1	0	0	0	111.6	L166 Y170 Q271 F272 V278 M279 L619	L166-D275 HydrophobicContact CD1-CB 4.44Å; L166-D275 HydrophobicContact CD2-CB 4.34Å; L166-D275 WeakPolarHBondContact CD2-OD1 3.34Å; Y170-D275 WeakPolarHBondContact CE2-OD2 3.46Å; Y170-D275 PolarHBondContact OH-OD2 3.1Å; Q271-D275 WeakPolarHBondContact CG-OD2 3.38Å; Q271-D275 VanDerWaalsContact O-CG 3.25Å; Q271-D275 PolarHBondContact O-N 3.38Å; F272-D275 PolarHBondContact O-N 3.38Å; D275-V278 PolarHBondContact O-N 3.17Å; D275-M279 WeakPolarHBondContact O-CG 3.49Å; D275-M279 PolarHBondContact O-N 2.96Å; D275-L619 HydrophobicContact CB-CD1 4.3Å
276	M	94.2	Very high	94.5	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-37.7	174.7	-177.1	176.7	174.3	0	0	111.9	F272 N274 C280 A574 Q612 V615	F272-M276 HydrophobicContact CE1-SD 4.17Å; F272-M276 HydrophobicContact CE2-CB 4.25Å; F272-M276 HydrophobicContact CZ-CB 4.29Å; F272-M276 HydrophobicContact CZ-SD 3.85Å; F272-M276 WeakPolarHBondContact O-CB 3.49Å; F272-M276 PolarHBondContact O-N 3.35Å; N274-M276 VanDerWaalsContact C-N 3.34Å; N274-M276 PolarHBondContact O-N 3.49Å; M276-C280 WeakPolarHBondContact O-CB 3.5Å; M276-C280 PolarHBondContact O-N 2.86Å; M276-C280 PolarHBondContact O-SG 3.01Å; M276-A574 HydrophobicContact CE-CB 4.03Å; M276-A574 HydrophobicContact SD-CB 4.11Å; M276-Q612 HydrophobicContact CE-CB 3.83Å; M276-Q612 HydrophobicContact CE-CG 4.02Å; M276-V615 HydrophobicContact CG-CG1 4.06Å
277	Q	93.5	Very high	94.4	Very high	91 Å²	91	39 Å²	39	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-42.1	173.6	-73.9	177.3	25.2	0	0	112.1	V273 N274 M279 C280 N281	V273-Q277 WeakPolarHBondContact O-CB 3.3Å; V273-Q277 VanDerWaalsContact O-CG 3.28Å; V273-Q277 WeakPolarHBondContact O-CG 3.22Å; V273-Q277 PolarHBondContact O-N 3.29Å; N274-Q277 PolarHBondContact O-N 3.37Å; N274-Q277 VanDerWaalsContact O-N 3.17Å; Q277-M279 VanDerWaalsContact C-N 3.35Å; Q277-M279 PolarHBondContact O-N 3.09Å; Q277-C280 PolarHBondContact O-N 3.33Å; Q277-N281 WeakPolarHBondContact O-CB 3.31Å; Q277-N281 PolarHBondContact O-N 2.83Å; Q277-N281 PolarHBondContact O-ND2 3.15Å; Q277-N281 VanDerWaalsContact O-ND2 3.11Å
278	V	95.4	Very high	94.6	Very high	46 Å²	46	39.1 Å²	39.1	28%	0.279	23%	0.234	S	C	.	.	H	α-helix	trans	-56.8	-48.8	173.4	169.5	0	0	0	0	110.6	L166 N274 D275 C280 N281 M282	L166-V278 HydrophobicContact CD1-CG1 4.18Å; N274-V278 WeakPolarHBondContact O-CG2 3.29Å; N274-V278 PolarHBondContact O-N 2.95Å; D275-V278 PolarHBondContact O-N 3.17Å; V278-C280 PolarHBondContact O-N 3.21Å; V278-N281 PolarHBondContact O-N 2.99Å; V278-M282 HydrophobicContact CG1-CE 3.59Å; V278-M282 HydrophobicContact CG1-SD 4.3Å; V278-M282 WeakPolarHBondContact O-CG 3.41Å; V278-M282 PolarHBondContact O-N 2.71Å
279	M	96.8	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-41.8	176.4	-71.9	-60.2	-52	0	0	113	A163 L166 D275 Q277 N281 M282 I283 V615 F618 L619 L636 L639	A163-M279 HydrophobicContact CB-CE 4.18Å; A163-M279 HydrophobicContact CB-SD 3.65Å; L166-M279 HydrophobicContact CD1-CG 4.27Å; L166-M279 HydrophobicContact CD1-SD 4.23Å; D275-M279 WeakPolarHBondContact O-CG 3.49Å; D275-M279 PolarHBondContact O-N 2.96Å; Q277-M279 VanDerWaalsContact C-N 3.35Å; Q277-M279 PolarHBondContact O-N 3.09Å; M279-N281 VanDerWaalsContact C-N 3.34Å; M279-N281 PolarHBondContact O-N 3.42Å; M279-M282 PolarHBondContact O-N 3.07Å; M279-M282 HydrophobicContact SD-SD 4.18Å; M279-I283 WeakPolarHBondContact O-CD1 3.43Å; M279-I283 VanDerWaalsContact O-CG1 3.29Å; M279-I283 WeakPolarHBondContact O-CG1 3.38Å; M279-I283 PolarHBondContact O-N 3.22Å; M279-I283 VanDerWaalsContact O-N 3.08Å; M279-V615 HydrophobicContact CB-CG1 3.49Å; M279-V615 VanDerWaalsContact CB-CG1 3.49Å; M279-V615 HydrophobicContact CG-CG1 4.12Å; M279-F618 HydrophobicContact CE-CD1 3.53Å; M279-F618 HydrophobicContact CE-CE1 3.73Å; M279-F618 HydrophobicContact CE-CG 4.4Å; M279-F618 HydrophobicContact SD-CD1 4.11Å; M279-F618 HydrophobicContact SD-CE1 3.99Å; M279-L619 HydrophobicContact CG-CD1 4.21Å; M279-L619 HydrophobicContact CG-CD2 4.13Å; M279-L619 HydrophobicContact CG-CG 4.35Å; M279-L636 HydrophobicContact CE-CD2 3.77Å; M279-L639 HydrophobicContact CE-CD1 3.84Å
280	C	94.6	Very high	94.8	Very high	38 Å²	38	42.9 Å²	42.9	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-61.4	-41.2	174.4	-75.1	0	0	0	0	112.2	M276 Q277 V278 I283 A284	M276-C280 WeakPolarHBondContact O-CB 3.5Å; M276-C280 PolarHBondContact O-N 2.86Å; M276-C280 PolarHBondContact O-SG 3.01Å; Q277-C280 PolarHBondContact O-N 3.33Å; V278-C280 PolarHBondContact O-N 3.21Å; C280-I283 PolarHBondContact O-N 3.42Å; C280-A284 PolarHBondContact O-N 3Å; C280-A284 VanDerWaalsContact O-N 3.09Å
281	N	95.1	Very high	94.8	Very high	114 Å²	114	41.1 Å²	41.1	61%	0.61	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-42.4	177	-70.5	-33	0	0	0	111.7	Q277 V278 M279 I283 A284 D285	Q277-N281 WeakPolarHBondContact O-CB 3.31Å; Q277-N281 PolarHBondContact O-N 2.83Å; Q277-N281 PolarHBondContact O-ND2 3.15Å; Q277-N281 VanDerWaalsContact O-ND2 3.11Å; V278-N281 PolarHBondContact O-N 2.99Å; M279-N281 VanDerWaalsContact C-N 3.34Å; M279-N281 PolarHBondContact O-N 3.42Å; N281-I283 VanDerWaalsContact C-N 3.29Å; N281-I283 PolarHBondContact O-N 3.45Å; N281-A284 PolarHBondContact O-N 2.88Å; N281-D285 PolarHBondContact O-N 3.33Å
282	M	96.2	Very high	95	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-35.2	173.7	-70.3	173.1	179.4	0	0	112.9	L159 E162 A163 V278 M279 A284 D285 L288	L159-M282 HydrophobicContact CB-CE 4.2Å; L159-M282 HydrophobicContact CB-CG 4.4Å; L159-M282 HydrophobicContact CD2-CE 3.94Å; L159-M282 HydrophobicContact CD2-CG 4.29Å; L159-M282 VanDerWaalsContact O-CE 3.29Å; L159-M282 WeakPolarHBondContact O-CE 3.47Å; E162-M282 HydrophobicContact CB-CE 3.8Å; E162-M282 HydrophobicContact CG-CE 3.77Å; E162-M282 WeakPolarHBondContact OE2-CE 3.41Å; A163-M282 HydrophobicContact CB-SD 3.91Å; V278-M282 HydrophobicContact CG1-CE 3.59Å; V278-M282 HydrophobicContact CG1-SD 4.3Å; V278-M282 WeakPolarHBondContact O-CG 3.41Å; V278-M282 PolarHBondContact O-N 2.71Å; M279-M282 PolarHBondContact O-N 3.07Å; M279-M282 HydrophobicContact SD-SD 4.18Å; M282-A284 VanDerWaalsContact C-N 3.35Å; M282-D285 PolarHBondContact O-N 3.02Å; M282-L288 HydrophobicContact CB-CD2 3.94Å; M282-L288 HydrophobicContact CG-CD2 4.34Å
283	I	95.4	Very high	95	Very high	25 Å²	25	45 Å²	45	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-30.9	177.3	-71.5	163.2	0	0	0	112.2	M279 C280 N281 V615 V633 V635 L636	M279-I283 WeakPolarHBondContact O-CD1 3.43Å; M279-I283 VanDerWaalsContact O-CG1 3.29Å; M279-I283 WeakPolarHBondContact O-CG1 3.38Å; M279-I283 PolarHBondContact O-N 3.22Å; M279-I283 VanDerWaalsContact O-N 3.08Å; C280-I283 PolarHBondContact O-N 3.42Å; N281-I283 VanDerWaalsContact C-N 3.29Å; N281-I283 PolarHBondContact O-N 3.45Å; I283-V615 HydrophobicContact CD1-CG2 3.41Å; I283-V615 VanDerWaalsContact CD1-CG2 3.41Å; I283-V633 HydrophobicContact CD1-CG1 4.35Å; I283-V633 HydrophobicContact CG1-CG1 4.09Å; I283-V633 HydrophobicContact CG2-CG1 3.71Å; I283-V635 HydrophobicContact CG1-CB 4.37Å; I283-L636 HydrophobicContact CD1-CD1 3.65Å; I283-L636 HydrophobicContact CD1-CD2 3.9Å; I283-L636 HydrophobicContact CD1-CG 3.56Å; I283-L636 HydrophobicContact CG1-CD2 4.46Å; I283-L636 HydrophobicContact CG1-CG 4.03Å
284	A	94.2	Very high	95	Very high	80 Å²	80	51.6 Å²	51.6	66%	0.661	28%	0.28	S	S	*	.	H	α-helix	trans	-79.5	-20.5	175.2	0	0	0	0	0	113.5	C280 N281 M282 G286	C280-A284 PolarHBondContact O-N 3Å; C280-A284 VanDerWaalsContact O-N 3.09Å; N281-A284 PolarHBondContact O-N 2.88Å; M282-A284 VanDerWaalsContact C-N 3.35Å; A284-G286 PolarHBondContact O-N 3.35Å
285	D	95	Very high	95	Very high	28 Å²	28	48.5 Å²	48.5	15%	0.15	26%	0.262	C	S	.	.			trans	-64.2	112.6	-177.9	-172.1	-84.8	0	0	0	112.1	R155 N281 M282 P287 L288 K289	R155-D285 IonicContact CZ-OD2 3.79Å; R155-D285 IonicContact NE-OD2 3.69Å; R155-D285 IonicContact NH2-OD1 3.97Å; R155-D285 IonicContact NH2-OD2 2.68Å; R155-D285 PolarHBondContact NH2-OD2 3.29Å; N281-D285 PolarHBondContact O-N 3.33Å; M282-D285 PolarHBondContact O-N 3.02Å; D285-P287 VanDerWaalsContact OD1-CD 3.29Å; D285-P287 WeakPolarHBondContact OD1-CD 3.29Å; D285-L288 HydrophobicContact CB-CB 4.04Å; D285-L288 VanDerWaalsContact OD1-CB 3.24Å; D285-L288 WeakPolarHBondContact OD1-CB 3.47Å; D285-L288 PolarHBondContact OD1-N 3.36Å; D285-K289 WeakPolarHBondContact O-CB 3.3Å; D285-K289 PolarHBondContact O-N 3.26Å
286	G	93.9	Very high	95	Very high	37 Å²	37	47.6 Å²	47.6	38%	0.381	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-48.7	-176.7	0	0	0	0	0	114.5	A284 S290	A284-G286 PolarHBondContact O-N 3.35Å; G286-S290 WeakPolarHBondContact O-CB 3.46Å; G286-S290 PolarHBondContact O-N 3.06Å; G286-S290 PolarHBondContact O-OG 2.96Å
287	P	92.9	Very high	95.1	Very high	54 Å²	54	49.2 Å²	49.2	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-53	173.6	-28	35.8	0	0	0	113.2	D285 K289 S290 F291	D285-P287 VanDerWaalsContact OD1-CD 3.29Å; D285-P287 WeakPolarHBondContact OD1-CD 3.29Å; P287-K289 PolarHBondContact O-N 3.24Å; P287-S290 WeakPolarHBondContact O-CB 3.21Å; P287-S290 PolarHBondContact O-N 2.88Å; P287-S290 VanDerWaalsContact O-N 3.09Å; P287-F291 PolarHBondContact O-N 3.25Å
288	L	95	Very high	95.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-42.7	180	177.3	58.6	0	0	0	111.8	A156 L159 L160 M282 D285 S290 F291 C292 V635	A156-L288 HydrophobicContact CB-CD1 3.91Å; L159-L288 HydrophobicContact CB-CD2 3.86Å; L159-L288 HydrophobicContact CD1-CD2 3.98Å; L160-L288 HydrophobicContact CD1-CD1 4.2Å; L160-L288 HydrophobicContact CD2-CD1 4.12Å; L160-L288 HydrophobicContact CG-CD1 3.85Å; M282-L288 HydrophobicContact CB-CD2 3.94Å; M282-L288 HydrophobicContact CG-CD2 4.34Å; D285-L288 HydrophobicContact CB-CB 4.04Å; D285-L288 VanDerWaalsContact OD1-CB 3.24Å; D285-L288 WeakPolarHBondContact OD1-CB 3.47Å; D285-L288 PolarHBondContact OD1-N 3.36Å; L288-S290 VanDerWaalsContact C-N 3.29Å; L288-S290 PolarHBondContact O-N 3.29Å; L288-F291 PolarHBondContact O-N 2.88Å; L288-C292 VanDerWaalsContact CD1-SG 3.6Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; L288-C292 PolarHBondContact O-N 2.81Å; L288-C292 PolarHBondContact O-SG 3.02Å; L288-V635 HydrophobicContact CD2-CG1 3.85Å; L288-V635 HydrophobicContact CD2-CG2 4.49Å; L288-V635 HydrophobicContact CG-CG1 4.07Å; L288-V635 HydrophobicContact CG-CG2 4.04Å
289	K	95.3	Very high	95.2	Very high	99 Å²	99	45 Å²	45	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-40.2	173.8	-178.4	176.5	179.5	176.5	0	112.2	D285 P287 Y293 P634 V635	D285-K289 WeakPolarHBondContact O-CB 3.3Å; D285-K289 PolarHBondContact O-N 3.26Å; P287-K289 PolarHBondContact O-N 3.24Å; K289-Y293 VanDerWaalsContact O-CB 3.27Å; K289-Y293 WeakPolarHBondContact O-CB 3.42Å; K289-Y293 PolarHBondContact O-N 2.96Å; K289-P634 HydrophobicContact CG-CG 4.22Å; K289-V635 HydrophobicContact CB-CG2 4.05Å
290	S	94	Very high	95.2	Very high	67 Å²	67	45.8 Å²	45.8	47%	0.469	25%	0.25	S	C	.	.	H	α-helix	trans	-70.4	-40.7	178.4	-57.7	0	0	0	0	111.9	G286 P287 L288 R294	G286-S290 WeakPolarHBondContact O-CB 3.46Å; G286-S290 PolarHBondContact O-N 3.06Å; G286-S290 PolarHBondContact O-OG 2.96Å; P287-S290 WeakPolarHBondContact O-CB 3.21Å; P287-S290 PolarHBondContact O-N 2.88Å; P287-S290 VanDerWaalsContact O-N 3.09Å; L288-S290 VanDerWaalsContact C-N 3.29Å; L288-S290 PolarHBondContact O-N 3.29Å; S290-R294 WeakPolarHBondContact O-CG 3.48Å; S290-R294 PolarHBondContact O-N 3.4Å
291	F	94.4	Very high	95.3	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-55.2	173.5	174.9	-104.8	0	0	0	111.6	V148 L153 A156 L160 P287 L288 Y293 R294 R295 Y638	V148-F291 HydrophobicContact CG1-CD2 4.19Å; V148-F291 HydrophobicContact CG2-CD2 3.68Å; V148-F291 HydrophobicContact CG2-CE2 3.88Å; L153-F291 HydrophobicContact CD1-CD2 4.42Å; L153-F291 HydrophobicContact CD1-CE2 3.44Å; L153-F291 VanDerWaalsContact CD1-CE2 3.44Å; L153-F291 HydrophobicContact CD1-CZ 3.63Å; A156-F291 HydrophobicContact CB-CB 4.16Å; A156-F291 HydrophobicContact CB-CD1 3.64Å; A156-F291 HydrophobicContact CB-CE1 4.16Å; A156-F291 HydrophobicContact CB-CG 3.86Å; L160-F291 HydrophobicContact CD1-CD1 4.16Å; L160-F291 HydrophobicContact CD1-CE1 3.77Å; P287-F291 PolarHBondContact O-N 3.25Å; L288-F291 PolarHBondContact O-N 2.88Å; F291-Y293 VanDerWaalsContact C-N 3.27Å; F291-Y293 PolarHBondContact O-N 2.88Å; F291-R294 WeakPolarHBondContact O-CB 3.45Å; F291-R294 PolarHBondContact O-N 2.91Å; F291-R295 HydrophobicContact CD1-CG 4.35Å; F291-R295 HydrophobicContact CD2-CG 4.38Å; F291-R295 HydrophobicContact CE1-CG 3.92Å; F291-R295 HydrophobicContact CE2-CG 3.94Å; F291-R295 HydrophobicContact CZ-CG 3.7Å; F291-R295 PolarHBondContact O-N 3.48Å; F291-Y638 HydrophobicContact CE1-CE1 4.16Å
292	C	96.7	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-39.1	179.3	-65.6	0	0	0	0	111.7	L288 R295 L296 P634 V635 Y638	L288-C292 VanDerWaalsContact CD1-SG 3.6Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; L288-C292 PolarHBondContact O-N 2.81Å; L288-C292 PolarHBondContact O-SG 3.02Å; C292-R295 PolarHBondContact O-N 2.87Å; C292-L296 WeakPolarHBondContact O-CB 3.38Å; C292-L296 WeakPolarHBondContact O-CD1 3.14Å; C292-L296 WeakPolarHBondContact O-CG 3.31Å; C292-L296 PolarHBondContact O-N 3.26Å; C292-P634 HydrophobicContact CB-CB 4.21Å; C292-V635 HydrophobicContact CB-CG2 4.5Å; C292-Y638 HydrophobicContact CB-CD1 4.16Å; C292-Y638 HydrophobicContact CB-CG 4.3Å
293	Y	96.1	Very high	95.3	Very high	141 Å²	141	43.4 Å²	43.4	55%	0.553	24%	0.238	S	C	*	.	H	α-helix	trans	-61.7	-45.7	173.2	-178.4	-103.2	0	0	0	112.3	K289 F291 R295 L296 C297 P634	K289-Y293 VanDerWaalsContact O-CB 3.27Å; K289-Y293 WeakPolarHBondContact O-CB 3.42Å; K289-Y293 PolarHBondContact O-N 2.96Å; F291-Y293 VanDerWaalsContact C-N 3.27Å; F291-Y293 PolarHBondContact O-N 2.88Å; Y293-R295 PolarHBondContact O-N 2.96Å; Y293-L296 PolarHBondContact O-N 3.33Å; Y293-C297 VanDerWaalsContact CZ-SG 3.56Å; Y293-C297 PolarHBondContact O-N 2.97Å; Y293-C297 PolarHBondContact O-SG 3.49Å; Y293-C297 VanDerWaalsContact O-SG 3.38Å; Y293-P634 HydrophobicContact CD2-CG 4.21Å
294	R	94.4	Very high	95.3	Very high	139 Å²	139	48 Å²	48	53%	0.525	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-42.7	174.9	-73.8	-179.7	-175.1	-172.4	4.3	112.1	G147 S290 F291 C297 Y298	G147-R294 PolarHBondContact O-NH1 2.82Å; S290-R294 WeakPolarHBondContact O-CG 3.48Å; S290-R294 PolarHBondContact O-N 3.4Å; F291-R294 WeakPolarHBondContact O-CB 3.45Å; F291-R294 PolarHBondContact O-N 2.91Å; R294-C297 PolarHBondContact O-N 3.45Å; R294-Y298 WeakPolarHBondContact O-CB 3.49Å; R294-Y298 PolarHBondContact O-N 3.45Å
295	R	94.9	Very high	95.4	Very high	17 Å²	17	48.5 Å²	48.5	6%	0.064	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-42.1	176.7	-57.8	-40.6	-62.7	-176.2	-2	112.3	T145 S146 F291 C292 Y293 C297 Y298 L299 Y638 E767 N770	T145-R295 PolarHBondContact O-NH1 3.2Å; S146-R295 PolarHBondContact O-NH1 2.79Å; F291-R295 HydrophobicContact CD1-CG 4.35Å; F291-R295 HydrophobicContact CD2-CG 4.38Å; F291-R295 HydrophobicContact CE1-CG 3.92Å; F291-R295 HydrophobicContact CE2-CG 3.94Å; F291-R295 HydrophobicContact CZ-CG 3.7Å; F291-R295 PolarHBondContact O-N 3.48Å; C292-R295 PolarHBondContact O-N 2.87Å; Y293-R295 PolarHBondContact O-N 2.96Å; R295-C297 PolarHBondContact O-N 2.89Å; R295-Y298 WeakPolarHBondContact O-CB 3.19Å; R295-Y298 PolarHBondContact O-N 2.56Å; R295-L299 WeakPolarHBondContact O-CG 3.32Å; R295-L299 PolarHBondContact O-N 2.66Å; R295-Y638 HydrophobicContact CB-CD2 4.08Å; R295-Y638 HydrophobicContact CB-CE1 4.25Å; R295-Y638 HydrophobicContact CB-CE2 3.56Å; R295-Y638 HydrophobicContact CG-CE1 4.21Å; R295-Y638 HydrophobicContact CG-CE2 4.28Å; R295-E767 IonicContact CZ-OE1 2.79Å; R295-E767 IonicContact CZ-OE2 3.48Å; R295-E767 IonicContact NE-OE1 3.63Å; R295-E767 IonicContact NE-OE2 3.69Å; R295-E767 PolarHBondContact NE-OE2 2.97Å; R295-E767 IonicContact NH2-OE1 3.84Å; R295-E767 PolarHBondContact NH2-OE1 3.31Å; R295-E767 IonicContact NH2-OE2 2.79Å; R295-E767 PolarHBondContact NH2-OE2 3.33Å; R295-N770 VanDerWaalsContact CZ-ND2 3.32Å; R295-N770 PolarHBondContact NH2-ND2 3.07Å
296	L	97.3	Very high	95.5	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-38.4	175.5	-70.3	167.1	0	0	0	112.6	C292 Y293 L299 S300 P634 Q637 Y638 R672	C292-L296 WeakPolarHBondContact O-CB 3.38Å; C292-L296 WeakPolarHBondContact O-CD1 3.14Å; C292-L296 WeakPolarHBondContact O-CG 3.31Å; C292-L296 PolarHBondContact O-N 3.26Å; Y293-L296 PolarHBondContact O-N 3.33Å; L296-L299 HydrophobicContact CD2-CD1 4.47Å; L296-S300 PolarHBondContact O-N 3.49Å; L296-S300 PolarHBondContact O-OG 2.86Å; L296-P634 HydrophobicContact CD1-CB 4.01Å; L296-P634 WeakPolarHBondContact CD1-O 3.4Å; L296-Q637 HydrophobicContact CD1-CB 3.94Å; L296-Q637 HydrophobicContact CD1-CG 4.27Å; L296-Q637 HydrophobicContact CD2-CB 4.49Å; L296-Q637 HydrophobicContact CD2-CG 4.16Å; L296-Y638 HydrophobicContact CD2-CD2 4.15Å; L296-Y638 HydrophobicContact CG-CD2 4.27Å; L296-R672 PolarHBondContact O-NE 3.03Å
297	C	96	Very high	95.6	Very high	41 Å²	41	47.5 Å²	47.5	28%	0.277	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-42.8	170.9	-69.9	0	0	0	0	111.9	Y293 R294 R295 L299 S300 S301	Y293-C297 VanDerWaalsContact CZ-SG 3.56Å; Y293-C297 PolarHBondContact O-N 2.97Å; Y293-C297 PolarHBondContact O-SG 3.49Å; Y293-C297 VanDerWaalsContact O-SG 3.38Å; R294-C297 PolarHBondContact O-N 3.45Å; R295-C297 PolarHBondContact O-N 2.89Å; C297-L299 PolarHBondContact O-N 2.82Å; C297-S300 WeakPolarHBondContact O-CB 3.31Å; C297-S300 PolarHBondContact O-N 2.88Å; C297-S301 PolarHBondContact O-N 3.02Å; C297-S301 PolarHBondContact O-OG 3.33Å
298	Y	94.6	Very high	95.7	Very high	47 Å²	47	51.8 Å²	51.8	18%	0.184	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-46.5	174.6	164.2	-116.3	0	0	0	112	I140 R294 R295 S300 S301 K302 E767	I140-Y298 HydrophobicContact CD1-CD2 4.28Å; I140-Y298 HydrophobicContact CD1-CE2 3.55Å; R294-Y298 WeakPolarHBondContact O-CB 3.49Å; R294-Y298 PolarHBondContact O-N 3.45Å; R295-Y298 WeakPolarHBondContact O-CB 3.19Å; R295-Y298 PolarHBondContact O-N 2.56Å; Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 3.43Å; Y298-S301 PolarHBondContact O-N 3.37Å; Y298-K302 HydrophobicContact CD2-CB 4.49Å; Y298-K302 HydrophobicContact CE1-CD 4.42Å; Y298-K302 HydrophobicContact CE2-CB 4.09Å; Y298-K302 HydrophobicContact CE2-CD 4.29Å; Y298-K302 HydrophobicContact CE2-CG 4.2Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.21Å; Y298-K302 WeakPolarHBondContact OH-CD 3.32Å; Y298-K302 WeakPolarHBondContact OH-CE 3.3Å; Y298-E767 WeakPolarHBondContact CE1-OE1 3.49Å
299	L	96.6	Very high	95.7	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-43.4	176.7	-71.2	171	0	0	0	112.3	R295 L296 C297 Y303 Y638 Y641 R672 T763 E767	R295-L299 WeakPolarHBondContact O-CG 3.32Å; R295-L299 PolarHBondContact O-N 2.66Å; L296-L299 HydrophobicContact CD2-CD1 4.47Å; C297-L299 PolarHBondContact O-N 2.82Å; L299-Y303 WeakPolarHBondContact O-CB 3.36Å; L299-Y303 PolarHBondContact O-N 3.31Å; L299-Y303 VanDerWaalsContact O-N 3.11Å; L299-Y638 HydrophobicContact CD1-CD2 4.39Å; L299-Y638 HydrophobicContact CD1-CE2 4.25Å; L299-Y641 HydrophobicContact CD1-CD1 3.83Å; L299-Y641 HydrophobicContact CD1-CD2 4.15Å; L299-Y641 HydrophobicContact CD1-CE1 3.7Å; L299-Y641 HydrophobicContact CD1-CE2 4.02Å; L299-Y641 HydrophobicContact CD1-CG 4.06Å; L299-Y641 HydrophobicContact CD2-CE1 4.25Å; L299-Y641 HydrophobicContact CD2-CE2 4.26Å; L299-Y641 WeakPolarHBondContact CD2-OH 3.18Å; L299-R672 HydrophobicContact CB-CB 4.26Å; L299-R672 HydrophobicContact CB-CG 4.07Å; L299-T763 HydrophobicContact CD2-CG2 3.4Å; L299-E767 HydrophobicContact CD2-CG 3.98Å
300	S	96.6	Very high	95.7	Very high	16 Å²	16	50 Å²	50	11%	0.112	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-47.6	173.9	-61.8	0	0	0	0	112.2	L296 C297 Y298 Y303 Q304 R672	L296-S300 PolarHBondContact O-N 3.49Å; L296-S300 PolarHBondContact O-OG 2.86Å; C297-S300 WeakPolarHBondContact O-CB 3.31Å; C297-S300 PolarHBondContact O-N 2.88Å; Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 3.43Å; S300-Y303 PolarHBondContact O-N 3.37Å; S300-Q304 WeakPolarHBondContact O-CG 3.22Å; S300-Q304 PolarHBondContact O-N 3.22Å; S300-Q304 VanDerWaalsContact O-N 3.07Å; S300-R672 WeakPolarHBondContact OG-CG 3.33Å; S300-R672 PolarHBondContact OG-NE 3.33Å; S300-R672 PolarHBondContact OG-NH2 3.3Å
301	S	95.7	Very high	95.7	Very high	70 Å²	70	50.4 Å²	50.4	49%	0.49	24%	0.244	S	C	.	.	H	α-helix	trans	-70.1	-37.9	-178.6	-60	0	0	0	0	113	C297 Y298 Y303 Q304 M305	C297-S301 PolarHBondContact O-N 3.02Å; C297-S301 PolarHBondContact O-OG 3.33Å; Y298-S301 PolarHBondContact O-N 3.37Å; S301-Y303 VanDerWaalsContact C-N 3.28Å; S301-Y303 PolarHBondContact O-N 3.12Å; S301-Q304 PolarHBondContact O-N 2.87Å; S301-M305 PolarHBondContact O-N 3.21Å
302	K	95.6	Very high	95.5	Very high	16 Å²	16	51.8 Å²	51.8	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-39.3	174.8	-159.3	-163.9	-168.1	-172.5	0	110.4	Y298 M305 H306 Y759 T763 D766	Y298-K302 HydrophobicContact CD2-CB 4.49Å; Y298-K302 HydrophobicContact CE1-CD 4.42Å; Y298-K302 HydrophobicContact CE2-CB 4.09Å; Y298-K302 HydrophobicContact CE2-CD 4.29Å; Y298-K302 HydrophobicContact CE2-CG 4.2Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.21Å; Y298-K302 WeakPolarHBondContact OH-CD 3.32Å; Y298-K302 WeakPolarHBondContact OH-CE 3.3Å; K302-M305 PolarHBondContact O-N 3.05Å; K302-H306 WeakPolarHBondContact O-CB 3.38Å; K302-H306 PolarHBondContact O-N 3.32Å; K302-Y759 VanDerWaalsContact C-OH 3.26Å; K302-Y759 HydrophobicContact CD-CE2 4.04Å; K302-Y759 HydrophobicContact CG-CE2 4.07Å; K302-T763 HydrophobicContact CD-CG2 3.72Å; K302-T763 PolarHBondContact NZ-OG1 2.89Å; K302-D766 IonicContact NZ-OD2 2.77Å; K302-D766 PolarHBondContact NZ-OD2 2.87Å
303	Y	97.1	Very high	95.4	Very high	22 Å²	22	54.3 Å²	54.3	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-43.7	176.6	-177.6	-104.2	0	0	0	112.7	L299 S300 S301 M305 H306 V307 A671 D710 R756 Y759	L299-Y303 WeakPolarHBondContact O-CB 3.36Å; L299-Y303 PolarHBondContact O-N 3.31Å; L299-Y303 VanDerWaalsContact O-N 3.11Å; S300-Y303 PolarHBondContact O-N 3.37Å; S301-Y303 VanDerWaalsContact C-N 3.28Å; S301-Y303 PolarHBondContact O-N 3.12Å; Y303-M305 VanDerWaalsContact C-N 3.31Å; Y303-M305 PolarHBondContact O-N 3.41Å; Y303-H306 WeakPolarHBondContact O-CB 3.39Å; Y303-H306 PolarHBondContact O-N 3.33Å; Y303-V307 HydrophobicContact CD1-CG2 4.19Å; Y303-V307 HydrophobicContact CD2-CG2 4.5Å; Y303-V307 HydrophobicContact CE1-CG2 3.7Å; Y303-V307 HydrophobicContact CE2-CG2 4.04Å; Y303-V307 WeakPolarHBondContact O-CG2 3.34Å; Y303-V307 PolarHBondContact O-N 2.87Å; Y303-A671 VanDerWaalsContact CB-O 3.24Å; Y303-A671 WeakPolarHBondContact CB-O 3.48Å; Y303-A671 HydrophobicContact CD1-CB 3.63Å; Y303-A671 HydrophobicContact CE1-CB 4.22Å; Y303-A671 HydrophobicContact CG-CB 4.27Å; Y303-D710 PolarHBondContact OH-OD1 2.93Å; Y303-R756 PolarHBondContact OH-NH1 2.9Å; Y303-R756 VanDerWaalsContact OH-NH1 3.08Å; Y303-R756 PolarHBondContact OH-NH2 2.98Å; Y303-Y759 WeakPolarHBondContact CA-OH 3.37Å; Y303-Y759 HydrophobicContact CD2-CD1 4.37Å; Y303-Y759 AromaticContact CD2-CE1 3.75Å; Y303-Y759 HydrophobicContact CD2-CE1 3.75Å; Y303-Y759 PolarHBondContact N-OH 3.38Å
304	Q	95.8	Very high	95.4	Very high	122 Å²	122	47.8 Å²	47.8	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-58.1	-44.1	174.9	-72.5	173.4	-5.6	0	0	111.5	S300 S301 V307 L308	S300-Q304 WeakPolarHBondContact O-CG 3.22Å; S300-Q304 PolarHBondContact O-N 3.22Å; S300-Q304 VanDerWaalsContact O-N 3.07Å; S301-Q304 PolarHBondContact O-N 2.87Å; Q304-V307 PolarHBondContact O-N 3.09Å; Q304-L308 WeakPolarHBondContact O-CG 3.43Å; Q304-L308 PolarHBondContact O-N 3.25Å; Q304-L308 VanDerWaalsContact O-N 3.1Å
305	M	95.9	Very high	95.3	Very high	91 Å²	91	43.8 Å²	43.8	45%	0.448	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-40.2	175.5	-167.4	63	67.2	0	0	112.2	V138 S301 K302 Y303 V307 L308 L309	V138-M305 HydrophobicContact CG2-CB 4.31Å; V138-M305 HydrophobicContact CG2-CG 3.65Å; S301-M305 PolarHBondContact O-N 3.21Å; K302-M305 PolarHBondContact O-N 3.05Å; Y303-M305 VanDerWaalsContact C-N 3.31Å; Y303-M305 PolarHBondContact O-N 3.41Å; M305-V307 PolarHBondContact O-N 2.51Å; M305-L308 PolarHBondContact O-N 2.83Å; M305-L309 HydrophobicContact CG-CD1 3.95Å; M305-L309 VanDerWaalsContact O-CG 3.28Å; M305-L309 WeakPolarHBondContact O-CG 3.28Å; M305-L309 PolarHBondContact O-N 3.08Å; M305-L309 VanDerWaalsContact O-N 3.12Å; M305-L309 HydrophobicContact SD-CD1 4.4Å
306	H	96.4	Very high	95.1	Very high	3 Å²	3	43 Å²	43	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-46.5	174.5	172.4	75.7	0	0	0	112.2	K302 Y303 L309 N310 E314 Y759	K302-H306 WeakPolarHBondContact O-CB 3.38Å; K302-H306 PolarHBondContact O-N 3.32Å; Y303-H306 WeakPolarHBondContact O-CB 3.39Å; Y303-H306 PolarHBondContact O-N 3.33Å; H306-L309 PolarHBondContact O-N 2.78Å; H306-N310 PolarHBondContact CE1-ND2 3.21Å; H306-N310 PolarHBondContact ND1-ND2 2.89Å; H306-N310 VanDerWaalsContact O-CB 3.28Å; H306-N310 WeakPolarHBondContact O-CB 3.45Å; H306-N310 PolarHBondContact O-N 2.98Å; H306-N310 PolarHBondContact O-ND2 3.21Å; H306-E314 IonicContact CD2-OE1 3.26Å; H306-E314 IonicContact CE1-OE1 4Å; H306-E314 IonicContact NE2-OE1 3.8Å; H306-E314 PolarHBondContact NE2-OE1 3.12Å; H306-Y759 HydrophobicContact CB-CD2 3.68Å; H306-Y759 HydrophobicContact CB-CE2 3.6Å; H306-Y759 HydrophobicContact CB-CG 4.26Å; H306-Y759 AromaticContact CD2-CG 3.88Å; H306-Y759 AromaticContact CE1-CG 3.81Å; H306-Y759 AromaticContact CG-CD2 3.46Å; H306-Y759 VanDerWaalsContact CG-CD2 3.46Å; H306-Y759 AromaticContact CG-CE2 3.92Å; H306-Y759 AromaticContact CG-CG 3.64Å; H306-Y759 AromaticContact ND1-CD2 3.44Å; H306-Y759 WeakPolarHBondContact ND1-CD2 3.25Å; H306-Y759 AromaticContact ND1-CG 3.64Å; H306-Y759 AromaticContact NE2-CG 3.97Å
307	V	95.6	Very high	94.9	Very high	40 Å²	40	43.6 Å²	43.6	24%	0.242	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-47.3	178	174.2	0	0	0	0	110.7	Y303 Q304 M305 L309 N310 E311	Y303-V307 HydrophobicContact CD1-CG2 4.19Å; Y303-V307 HydrophobicContact CD2-CG2 4.5Å; Y303-V307 HydrophobicContact CE1-CG2 3.7Å; Y303-V307 HydrophobicContact CE2-CG2 4.04Å; Y303-V307 WeakPolarHBondContact O-CG2 3.34Å; Y303-V307 PolarHBondContact O-N 2.87Å; Q304-V307 PolarHBondContact O-N 3.09Å; M305-V307 PolarHBondContact O-N 2.51Å; V307-L309 PolarHBondContact O-N 3.42Å; V307-N310 PolarHBondContact O-N 3.19Å; V307-E311 HydrophobicContact CG1-CB 4.24Å; V307-E311 WeakPolarHBondContact O-CB 3.44Å; V307-E311 PolarHBondContact O-N 3.03Å
308	L	95.1	Very high	94.8	Very high	144 Å²	144	42.2 Å²	42.2	75%	0.754	22%	0.216	S	C	*	.	H	α-helix	trans	-57.2	-33.7	178.3	-72.9	170.4	0	0	0	113.5	Q304 M305	Q304-L308 WeakPolarHBondContact O-CG 3.43Å; Q304-L308 PolarHBondContact O-N 3.25Å; Q304-L308 VanDerWaalsContact O-N 3.1Å; M305-L308 PolarHBondContact O-N 2.83Å
309	L	95.1	Very high	94.6	Very high	64 Å²	64	45.6 Å²	45.6	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-89.4	-33.4	-179.3	-65.2	172.8	0	0	0	113.5	Q136 V138 M305 H306 V307	Q136-L309 HydrophobicContact CB-CB 3.98Å; Q136-L309 HydrophobicContact CB-CD1 4.35Å; Q136-L309 PolarHBondContact OE1-O 3.16Å; V138-L309 HydrophobicContact CG2-CD1 3.67Å; M305-L309 HydrophobicContact CG-CD1 3.95Å; M305-L309 VanDerWaalsContact O-CG 3.28Å; M305-L309 WeakPolarHBondContact O-CG 3.28Å; M305-L309 PolarHBondContact O-N 3.08Å; M305-L309 VanDerWaalsContact O-N 3.12Å; M305-L309 HydrophobicContact SD-CD1 4.4Å; H306-L309 PolarHBondContact O-N 2.78Å; V307-L309 PolarHBondContact O-N 3.42Å
310	N	95.8	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-121.1	-10	-164.1	-60.9	-62.9	0	0	0	116.1	Q136 H306 V307 L312 R313 E314 I755	Q136-N310 PolarHBondContact N-OD1 2.89Å; Q136-N310 PolarHBondContact O-ND2 2.86Å; H306-N310 PolarHBondContact CE1-ND2 3.21Å; H306-N310 PolarHBondContact ND1-ND2 2.89Å; H306-N310 VanDerWaalsContact O-CB 3.28Å; H306-N310 WeakPolarHBondContact O-CB 3.45Å; H306-N310 PolarHBondContact O-N 2.98Å; H306-N310 PolarHBondContact O-ND2 3.21Å; V307-N310 PolarHBondContact O-N 3.19Å; N310-L312 PolarHBondContact O-N 3.05Å; N310-L312 VanDerWaalsContact O-N 3.14Å; N310-R313 WeakPolarHBondContact O-CA 3.42Å; N310-R313 WeakPolarHBondContact O-CB 3.46Å; N310-R313 PolarHBondContact O-N 2.97Å; N310-E314 PolarHBondContact O-N 3.29Å; N310-I755 HydrophobicContact CB-CG2 4.29Å
311	E	92.9	Very high	94.1	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-45.7	-48.6	178.4	174.9	-164.7	-127.1	0	0	112	K83 V307 R313 E314 L315	K83-E311 IonicContact NZ-OE2 3.86Å; K83-E311 PolarHBondContact NZ-OE2 2.67Å; V307-E311 HydrophobicContact CG1-CB 4.24Å; V307-E311 WeakPolarHBondContact O-CB 3.44Å; V307-E311 PolarHBondContact O-N 3.03Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 2.93Å; E311-E314 PolarHBondContact O-N 2.98Å; E311-L315 VanDerWaalsContact O-CB 3.28Å; E311-L315 WeakPolarHBondContact O-CB 3.13Å; E311-L315 PolarHBondContact O-N 3.47Å
312	L	92.1	Very high	93.6	Very high	35 Å²	35	48.9 Å²	48.9	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-27.9	-178.8	-71.2	-178.9	0	0	0	113.5	K83 I86 Q87 L90 N310 A316	K83-L312 HydrophobicContact CG-CD1 4.07Å; I86-L312 HydrophobicContact CG2-CD1 4.36Å; Q87-L312 HydrophobicContact CB-CD2 4.49Å; Q87-L312 HydrophobicContact CG-CD2 4.42Å; L90-L312 HydrophobicContact CD1-CB 3.96Å; N310-L312 PolarHBondContact O-N 3.05Å; N310-L312 VanDerWaalsContact O-N 3.14Å; L312-A316 VanDerWaalsContact O-CB 3.24Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 2.77Å; L312-A316 VanDerWaalsContact O-N 3.16Å
313	R	93.8	Very high	93.1	Very high	52 Å²	52	56.4 Å²	56.4	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-80.8	-40.1	176.2	-57	-177.1	-178.1	-135.9	1.9	111.4	N134 N310 E311 A316 A317 I755	N134-R313 PolarHBondContact O-NH1 2.87Å; N134-R313 PolarHBondContact OD1-NH1 3.23Å; N310-R313 WeakPolarHBondContact O-CA 3.42Å; N310-R313 WeakPolarHBondContact O-CB 3.46Å; N310-R313 PolarHBondContact O-N 2.97Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 2.93Å; R313-A316 PolarHBondContact O-N 2.72Å; R313-A317 WeakPolarHBondContact O-CB 3.09Å; R313-A317 PolarHBondContact O-N 3.4Å; R313-I755 HydrophobicContact CB-CD1 3.63Å
314	E	95.6	Very high	92.8	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.019	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-49.8	173.2	-71.6	-174.9	157.7	0	0	110.6	H306 N310 E311 A316 A317 Q318 P753 I755 R756	H306-E314 IonicContact CD2-OE1 3.26Å; H306-E314 IonicContact CE1-OE1 4Å; H306-E314 IonicContact NE2-OE1 3.8Å; H306-E314 PolarHBondContact NE2-OE1 3.12Å; N310-E314 PolarHBondContact O-N 3.29Å; E311-E314 PolarHBondContact O-N 2.98Å; E314-A316 PolarHBondContact O-N 2.95Å; E314-A317 WeakPolarHBondContact O-CB 3.27Å; E314-A317 PolarHBondContact O-N 3.3Å; E314-A317 VanDerWaalsContact O-N 3.16Å; E314-Q318 PolarHBondContact O-N 2.99Å; E314-P753 HydrophobicContact CB-CB 4.36Å; E314-P753 HydrophobicContact CB-CG 4.01Å; E314-P753 HydrophobicContact CG-CB 4.33Å; E314-P753 HydrophobicContact CG-CG 4.43Å; E314-P753 WeakPolarHBondContact O-CG 3.44Å; E314-I755 HydrophobicContact CG-CB 4.14Å; E314-I755 HydrophobicContact CG-CG2 3.76Å; E314-R756 WeakPolarHBondContact OE1-CB 3.28Å; E314-R756 IonicContact OE1-CZ 3.57Å; E314-R756 IonicContact OE1-NE 2.78Å; E314-R756 PolarHBondContact OE1-NE 2.96Å; E314-R756 IonicContact OE1-NH2 3.51Å; E314-R756 IonicContact OE2-CZ 3.51Å; E314-R756 IonicContact OE2-NE 3.39Å; E314-R756 PolarHBondContact OE2-NE 2.92Å; E314-R756 IonicContact OE2-NH2 2.86Å; E314-R756 PolarHBondContact OE2-NH2 3.18Å
315	L	92.7	Very high	92.6	Very high	55 Å²	55	55.4 Å²	55.4	29%	0.288	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-35.6	178.9	179.7	57.4	0	0	0	113	Q87 E311 K319	Q87-L315 VanDerWaalsContact NE2-CD2 3.32Å; E311-L315 VanDerWaalsContact O-CB 3.28Å; E311-L315 WeakPolarHBondContact O-CB 3.13Å; E311-L315 PolarHBondContact O-N 3.47Å; L315-K319 VanDerWaalsContact O-CG 3.3Å; L315-K319 WeakPolarHBondContact O-CG 3.3Å; L315-K319 PolarHBondContact O-N 3.36Å
316	A	91.6	Very high	92.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-42.4	171.8	0	0	0	0	0	110.9	L90 N91 Q94 L312 R313 E314 Q318 K319 A320	L90-A316 HydrophobicContact CB-CB 4.4Å; N91-A316 WeakPolarHBondContact OD1-CB 3.43Å; Q94-A316 PolarHBondContact OE1-O 2.92Å; L312-A316 VanDerWaalsContact O-CB 3.24Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 2.77Å; L312-A316 VanDerWaalsContact O-N 3.16Å; R313-A316 PolarHBondContact O-N 2.72Å; E314-A316 PolarHBondContact O-N 2.95Å; A316-Q318 PolarHBondContact O-N 3.47Å; A316-K319 CarbonylContact O-C 3.48Å; A316-K319 WeakPolarHBondContact O-CB 3.47Å; A316-K319 PolarHBondContact O-N 3.21Å; A316-K319 VanDerWaalsContact O-N 3.09Å; A316-A320 PolarHBondContact O-N 3.48Å
317	A	92.1	Very high	92.3	Very high	16 Å²	16	59.7 Å²	59.7	13%	0.132	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-39.2	179.7	0	0	0	0	0	112.4	R313 E314 A320 P753	R313-A317 WeakPolarHBondContact O-CB 3.09Å; R313-A317 PolarHBondContact O-N 3.4Å; E314-A317 WeakPolarHBondContact O-CB 3.27Å; E314-A317 PolarHBondContact O-N 3.3Å; E314-A317 VanDerWaalsContact O-N 3.16Å; A317-A320 PolarHBondContact O-N 3.11Å; A317-P753 HydrophobicContact CB-CB 4.13Å; A317-P753 HydrophobicContact CB-CG 4.41Å
318	Q	93.4	Very high	92.2	Very high	11 Å²	11	59.1 Å²	59.1	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-46.4	170.8	-64.4	-169	-60	0	0	111.4	E314 A316 A320 V321 S708 N751 P753	E314-Q318 PolarHBondContact O-N 2.99Å; A316-Q318 PolarHBondContact O-N 3.47Å; Q318-A320 PolarHBondContact O-N 2.98Å; Q318-V321 PolarHBondContact O-N 3.12Å; Q318-S708 PolarHBondContact NE2-O 3.46Å; Q318-N751 PolarHBondContact NE2-ND2 2.76Å; Q318-N751 PolarHBondContact NE2-O 3.2Å; Q318-P753 HydrophobicContact CG-CG 3.65Å
319	K	91.3	Very high	92.2	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-21.3	178.6	-71.6	172.1	-177.5	-179.9	0	113.9	L315 A316 V321	L315-K319 VanDerWaalsContact O-CG 3.3Å; L315-K319 WeakPolarHBondContact O-CG 3.3Å; L315-K319 PolarHBondContact O-N 3.36Å; A316-K319 CarbonylContact O-C 3.48Å; A316-K319 WeakPolarHBondContact O-CB 3.47Å; A316-K319 PolarHBondContact O-N 3.21Å; A316-K319 VanDerWaalsContact O-N 3.09Å; K319-V321 VanDerWaalsContact C-N 3.3Å
320	A	90.3	Very high	92.3	Very high	50 Å²	50	51.6 Å²	51.6	41%	0.413	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.5	175.2	0	0	0	0	0	113.4	Q94 A316 A317 Q318 P322	Q94-A320 HydrophobicContact CB-CB 4.42Å; A316-A320 PolarHBondContact O-N 3.48Å; A317-A320 PolarHBondContact O-N 3.11Å; Q318-A320 PolarHBondContact O-N 2.98Å; A320-P322 WeakPolarHBondContact O-CD 3.28Å
321	V	91.2	Very high	92.3	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.067	25%	0.252	C	S	.	.	S	Bend	trans	-90.3	113.9	178.2	-172.6	0	0	0	0	110.3	Q318 K319 R324 I747 T748	Q318-V321 PolarHBondContact O-N 3.12Å; K319-V321 VanDerWaalsContact C-N 3.3Å; V321-R324 HydrophobicContact CB-CB 4.25Å; V321-R324 HydrophobicContact CG1-CB 3.53Å; V321-R324 HydrophobicContact CG1-CG 4.28Å; V321-I747 HydrophobicContact CG2-CD1 3.77Å; V321-I747 HydrophobicContact CG2-CG1 3.92Å; V321-I747 HydrophobicContact CG2-CG2 4.17Å; V321-T748 HydrophobicContact CG1-CG2 4.48Å
322	P	86.3	Confident	92.6	Very high	97 Å²	97	48 Å²	48	63%	0.63	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	140.3	179.4	30.6	-34.9	0	0	0	111.3	A320 R324	A320-P322 WeakPolarHBondContact O-CD 3.28Å; P322-R324 PolarHBondContact O-N 2.73Å
323	H	85.5	Confident	92.9	Very high	173 Å²	173	46.7 Å²	46.7	80%	0.801	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	28.9	176.3	-45.7	-71.9	0	0	0	115.1
324	R	90.4	Very high	93.1	Very high	61 Å²	61	44.2 Å²	44.2	23%	0.23	22%	0.219	C	C	.	.			trans	-129.1	129	172.6	-170.1	63.4	57.2	-103.4	-16	111.1	V321 P322 N328 T748 N751	V321-R324 HydrophobicContact CB-CB 4.25Å; V321-R324 HydrophobicContact CG1-CB 3.53Å; V321-R324 HydrophobicContact CG1-CG 4.28Å; P322-R324 PolarHBondContact O-N 2.73Å; R324-N328 VanDerWaalsContact CA-OD1 3.26Å; R324-N328 WeakPolarHBondContact CA-OD1 3.15Å; R324-N328 WeakPolarHBondContact CD-OD1 3.22Å; R324-N328 PolarHBondContact NH1-O 2.78Å; R324-N328 PolarHBondContact NH1-OD1 3.19Å; R324-T748 VanDerWaalsContact CZ-O 3.24Å; R324-T748 PolarHBondContact NE-O 2.87Å; R324-T748 PolarHBondContact NH2-O 2.84Å; R324-N751 HydrophobicContact CG-CB 3.61Å
325	D	92.1	Very high	93.2	Very high	62 Å²	62	44 Å²	44	33%	0.332	22%	0.218	S	C	.	.	S	Bend	trans	-158.5	177.6	176.1	61.7	70.9	0	0	0	109.7	Y327 N328 T329	D325-Y327 VanDerWaalsContact C-N 3.25Å; D325-Y327 PolarHBondContact O-N 3.12Å; D325-Y327 WeakPolarHBondContact OD1-CB 3.36Å; D325-Y327 PolarHBondContact OD1-N 3.46Å; D325-N328 PolarHBondContact N-OD1 3.47Å; D325-N328 PolarHBondContact O-N 2.92Å; D325-N328 VanDerWaalsContact O-N 3.14Å; D325-N328 PolarHBondContact O-OD1 2.86Å; D325-N328 PolarHBondContact OD1-ND2 2.82Å; D325-N328 PolarHBondContact OD2-ND2 3.07Å; D325-T329 PolarHBondContact O-N 3.19Å; D325-T329 VanDerWaalsContact O-N 3.09Å
326	F	94.5	Very high	93.5	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.079	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.5	-176.9	174.1	-106.6	0	0	0	115.1	N328 T329 K331 M694 Y697 M711	F326-N328 VanDerWaalsContact C-N 3.34Å; F326-T329 PolarHBondContact O-OG1 3.25Å; F326-T329 VanDerWaalsContact O-OG1 3.13Å; F326-K331 VanDerWaalsContact CE2-NZ 3.31Å; F326-K331 PolarHBondContact O-NZ 3.18Å; F326-M694 HydrophobicContact CD1-CE 4.32Å; F326-M694 HydrophobicContact CE1-CE 3.64Å; F326-M694 HydrophobicContact CE1-SD 4.01Å; F326-M694 HydrophobicContact CZ-CE 4.42Å; F326-M694 HydrophobicContact CZ-SD 4.2Å; F326-Y697 AromaticContact CE2-CD1 3.58Å; F326-Y697 HydrophobicContact CE2-CD1 3.58Å; F326-Y697 AromaticContact CE2-CE1 3.78Å; F326-Y697 HydrophobicContact CE2-CE1 3.78Å; F326-Y697 HydrophobicContact CE2-CG 4.21Å; F326-Y697 AromaticContact CZ-CD1 3.38Å; F326-Y697 HydrophobicContact CZ-CD1 3.38Å; F326-Y697 HydrophobicContact CZ-CD2 4.32Å; F326-Y697 HydrophobicContact CZ-CE1 4.01Å; F326-Y697 AromaticContact CZ-CG 3.57Å; F326-Y697 HydrophobicContact CZ-CG 3.57Å; F326-M711 HydrophobicContact CD1-CE 4.19Å; F326-M711 HydrophobicContact CD2-CB 3.77Å; F326-M711 HydrophobicContact CE1-CE 3.72Å; F326-M711 HydrophobicContact CE2-CB 3.98Å; F326-M711 HydrophobicContact CE2-CE 4.12Å; F326-M711 WeakPolarHBondContact CE2-O 3.29Å; F326-M711 HydrophobicContact CG-CB 4.3Å; F326-M711 HydrophobicContact CZ-CE 3.69Å
327	Y	92	Very high	93.8	Very high	166 Å²	166	42.4 Å²	42.4	65%	0.651	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-23.9	179.1	-66.4	-84.5	0	0	0	112.6	D325 M694	D325-Y327 VanDerWaalsContact C-N 3.25Å; D325-Y327 PolarHBondContact O-N 3.12Å; D325-Y327 WeakPolarHBondContact OD1-CB 3.36Å; D325-Y327 PolarHBondContact OD1-N 3.46Å; Y327-M694 HydrophobicContact CD1-CE 3.62Å; Y327-M694 HydrophobicContact CE1-CE 3.59Å
328	N	92.8	Very high	94	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	13.6	-177.9	57.6	58.2	0	0	0	114.1	R324 D325 F326 Y451	R324-N328 VanDerWaalsContact CA-OD1 3.26Å; R324-N328 WeakPolarHBondContact CA-OD1 3.15Å; R324-N328 WeakPolarHBondContact CD-OD1 3.22Å; R324-N328 PolarHBondContact NH1-O 2.78Å; R324-N328 PolarHBondContact NH1-OD1 3.19Å; D325-N328 PolarHBondContact N-OD1 3.47Å; D325-N328 PolarHBondContact O-N 2.92Å; D325-N328 VanDerWaalsContact O-N 3.14Å; D325-N328 PolarHBondContact O-OD1 2.86Å; D325-N328 PolarHBondContact OD1-ND2 2.82Å; D325-N328 PolarHBondContact OD2-ND2 3.07Å; F326-N328 VanDerWaalsContact C-N 3.34Å; N328-Y451 HydrophobicContact CB-CD1 4.31Å; N328-Y451 HydrophobicContact CB-CD2 4.2Å; N328-Y451 HydrophobicContact CB-CE1 3.87Å; N328-Y451 HydrophobicContact CB-CE2 3.71Å; N328-Y451 HydrophobicContact CB-CG 4.47Å; N328-Y451 WeakPolarHBondContact O-CD1 3.48Å; N328-Y451 VanDerWaalsContact O-CE1 3.3Å; N328-Y451 WeakPolarHBondContact O-CE1 3.24Å
329	T	94.6	Very high	94	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.211	C	C	.	.	S	Bend	trans	-76.4	145.1	155.4	51.3	0	0	0	0	110.6	D325 F326 T750 N751	D325-T329 PolarHBondContact O-N 3.19Å; D325-T329 VanDerWaalsContact O-N 3.09Å; F326-T329 PolarHBondContact O-OG1 3.25Å; F326-T329 VanDerWaalsContact O-OG1 3.13Å; T329-T750 WeakPolarHBondContact CG2-O 3.26Å; T329-N751 HydrophobicContact CG2-CB 3.42Å; T329-N751 VanDerWaalsContact CG2-CB 3.42Å
330	R	96.5	Very high	94.1	Very high	47 Å²	47	36.8 Å²	36.8	18%	0.177	19%	0.186	C	C	.	.			trans	-72.8	134.3	174.6	-75.3	-80.8	173.9	176.6	-15	110.1	K450 N453 V719 W732	R330-K450 PolarHBondContact NH1-O 2.74Å; R330-K450 PolarHBondContact NH2-O 3.38Å; R330-N453 PolarHBondContact NH1-OD1 3.42Å; R330-N453 VanDerWaalsContact NH1-OD1 3.1Å; R330-V719 HydrophobicContact CB-CG2 4.03Å; R330-V719 WeakPolarHBondContact O-CG2 3.3Å; R330-W732 HydrophobicContact CB-CB 3.96Å; R330-W732 HydrophobicContact CB-CD2 4.18Å; R330-W732 HydrophobicContact CB-CE3 4.35Å; R330-W732 HydrophobicContact CB-CG 4.02Å; R330-W732 HydrophobicContact CG-CB 3.82Å; R330-W732 HydrophobicContact CG-CD2 3.91Å; R330-W732 HydrophobicContact CG-CG 3.55Å
331	K	97.1	Very high	94.4	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.8	176.9	64	-162	74	174.4	0	110.4	F326 Y451 Q452 N453 L693 M694 A715	F326-K331 VanDerWaalsContact CE2-NZ 3.31Å; F326-K331 PolarHBondContact O-NZ 3.18Å; K331-Y451 PolarHBondContact N-O 3.36Å; K331-Y451 VanDerWaalsContact N-O 3.15Å; K331-Q452 HydrophobicContact CD-CG 4.09Å; K331-Q452 HydrophobicContact CG-CG 3.96Å; K331-N453 PolarHBondContact O-N 3.44Å; K331-N453 PolarHBondContact O-ND2 2.89Å; K331-L693 HydrophobicContact CD-CD2 4.33Å; K331-L693 HydrophobicContact CG-CD2 3.96Å; K331-M694 HydrophobicContact CD-SD 3.94Å; K331-M694 PolarHBondContact NZ-SD 3.31Å; K331-A715 HydrophobicContact CB-CB 4.02Å
332	V	98.5	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	-178.1	-172.3	0	0	0	0	108.4	T334 N453 E455 S718 V719 F724 W732	V332-T334 HydrophobicContact CB-CG2 4.28Å; V332-T334 HydrophobicContact CG1-CG2 4.28Å; V332-T334 PolarHBondContact O-N 3.39Å; V332-N453 CarbonylContact C-O 3.56Å; V332-N453 WeakPolarHBondContact CA-O 3.47Å; V332-N453 HydrophobicContact CG2-CB 4.35Å; V332-E455 HydrophobicContact CG1-CG 3.76Å; V332-S718 PolarHBondContact N-OG 2.84Å; V332-S718 VanDerWaalsContact O-CB 3.3Å; V332-S718 WeakPolarHBondContact O-CB 3.4Å; V332-V719 HydrophobicContact CG2-CB 4.45Å; V332-V719 HydrophobicContact CG2-CG2 3.9Å; V332-F724 HydrophobicContact CG1-CD2 4.33Å; V332-F724 HydrophobicContact CG1-CE2 3.87Å; V332-F724 HydrophobicContact CG2-CD2 4.4Å; V332-F724 HydrophobicContact CG2-CE2 4.44Å; V332-W732 HydrophobicContact CG2-CZ3 4.08Å
333	D	98.6	Very high	95	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	102.3	163.1	-162.4	-22	0	0	0	108.9	H335 I336 N453 A454 E455 S679 T680 L693	D333-H335 PolarHBondContact OD1-N 3.24Å; D333-H335 VanDerWaalsContact OD1-O 3.07Å; D333-I336 HydrophobicContact CB-CG2 3.96Å; D333-N453 PolarHBondContact N-O 3.31Å; D333-A454 HydrophobicContact CB-CB 4.39Å; D333-E455 PolarHBondContact O-N 3Å; D333-S679 VanDerWaalsContact OD1-CA 3.23Å; D333-S679 WeakPolarHBondContact OD1-CA 3.36Å; D333-S679 WeakPolarHBondContact OD1-CB 3.32Å; D333-T680 PolarHBondContact OD1-N 3Å; D333-T680 VanDerWaalsContact OD2-CB 3.3Å; D333-T680 WeakPolarHBondContact OD2-CB 3.4Å; D333-T680 WeakPolarHBondContact OD2-CG2 3.36Å; D333-T680 PolarHBondContact OD2-N 2.67Å; D333-T680 PolarHBondContact OD2-OG1 3.11Å; D333-L693 HydrophobicContact CB-CD1 4.15Å; D333-L693 HydrophobicContact CB-CD2 4.14Å
334	T	98	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-12.7	-174.1	48.5	0	0	0	0	113.5	V332 E455 R457 R602 A648 S677 S718 M721	V332-T334 HydrophobicContact CB-CG2 4.28Å; V332-T334 HydrophobicContact CG1-CG2 4.28Å; V332-T334 PolarHBondContact O-N 3.39Å; T334-E455 WeakPolarHBondContact CA-OE2 3.31Å; T334-R457 PolarHBondContact O-NH1 2.88Å; T334-R457 PolarHBondContact O-NH2 3.22Å; T334-R457 VanDerWaalsContact O-NH2 3.08Å; T334-R602 PolarHBondContact O-NH2 2.86Å; T334-A648 WeakPolarHBondContact OG1-CB 3.44Å; T334-S677 PolarHBondContact OG1-OG 3.48Å; T334-S718 WeakPolarHBondContact CG2-O 3.25Å; T334-M721 HydrophobicContact CG2-CG 3.85Å; T334-M721 HydrophobicContact CG2-SD 4.21Å
335	H	98.3	Very high	95.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	103.3	171.5	-171.9	-155.2	0	0	0	112.3	D333 H337 R457 H604 H626 A648 S679 T680 D681	D333-H335 PolarHBondContact OD1-N 3.24Å; D333-H335 VanDerWaalsContact OD1-O 3.07Å; H335-H337 AromaticContact NE2-CE1 3.67Å; H335-H337 AromaticContact NE2-NE2 3.66Å; H335-R457 VanDerWaalsContact CD2-CD 3.49Å; H335-R457 WeakPolarHBondContact CD2-CD 3.26Å; H335-R457 PolarHBondContact CD2-NE 3.33Å; H335-R457 PolarHBondContact CD2-NH2 3.21Å; H335-H604 AromaticContact CE1-CD2 3.99Å; H335-H604 AromaticContact CE1-CE1 3.33Å; H335-H604 PolarHBondContact CE1-CE1 3.47Å; H335-H604 AromaticContact CE1-NE2 3.24Å; H335-H604 PolarHBondContact CE1-NE2 3.34Å; H335-H604 AromaticContact NE2-CE1 3.06Å; H335-H604 PolarHBondContact NE2-CE1 2.93Å; H335-H604 AromaticContact NE2-NE2 3.32Å; H335-H604 PolarHBondContact NE2-NE2 3.29Å; H335-H626 AromaticContact CE1-CE1 3.76Å; H335-H626 AromaticContact CE1-NE2 3.25Å; H335-H626 PolarHBondContact CE1-NE2 3.11Å; H335-H626 VanDerWaalsContact CE1-NE2 3.25Å; H335-H626 AromaticContact ND1-CE1 3.88Å; H335-H626 AromaticContact ND1-NE2 3.5Å; H335-H626 PolarHBondContact ND1-NE2 3.05Å; H335-A648 HydrophobicContact CB-CB 3.9Å; H335-S679 WeakPolarHBondContact CB-OG 3.35Å; H335-S679 VanDerWaalsContact N-CB 3.29Å; H335-S679 WeakPolarHBondContact O-CB 3.48Å; H335-T680 PolarHBondContact O-N 2.92Å; H335-T680 VanDerWaalsContact O-N 3.15Å; H335-D681 IonicContact CE1-OD1 3.24Å; H335-D681 PolarHBondContact CE1-OD1 3.37Å; H335-D681 IonicContact ND1-OD1 2.71Å; H335-D681 IonicContact NE2-OD1 2.7Å; H335-D681 WeakPolarHBondContact O-CA 3.36Å; H335-D681 PolarHBondContact O-N 2.88Å
336	I	97.8	Very high	95.6	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.051	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	130.3	177.9	175.4	170.4	0	0	0	110.5	D333 C341 A454 L456 R457 D681 P683	D333-I336 HydrophobicContact CB-CG2 3.96Å; I336-C341 HydrophobicContact CD1-CB 3.66Å; I336-C341 HydrophobicContact CG1-CB 3.92Å; I336-A454 HydrophobicContact CG2-CB 4.26Å; I336-L456 HydrophobicContact CB-CD2 4.39Å; I336-L456 HydrophobicContact CD1-CD2 3.79Å; I336-L456 HydrophobicContact CG1-CD2 3.78Å; I336-L456 HydrophobicContact CG2-CD2 3.85Å; I336-L456 WeakPolarHBondContact O-CA 3.34Å; I336-R457 PolarHBondContact O-N 2.82Å; I336-D681 WeakPolarHBondContact CA-O 3.29Å; I336-P683 HydrophobicContact CD1-CG 3.9Å; I336-P683 HydrophobicContact CG1-CG 4.33Å
337	H	97.8	Very high	95.6	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.9	176.6	-70.9	-57.6	0	0	0	111.4	H335 A339 S340 C341 Q490 H604 D681 D682	H335-H337 AromaticContact NE2-CE1 3.67Å; H335-H337 AromaticContact NE2-NE2 3.66Å; H337-A339 VanDerWaalsContact C-N 3.32Å; H337-A339 PolarHBondContact O-N 3.06Å; H337-S340 WeakPolarHBondContact CB-OG 3.34Å; H337-S340 PolarHBondContact O-N 3.21Å; H337-S340 PolarHBondContact O-OG 3.21Å; H337-C341 WeakPolarHBondContact O-CB 3.32Å; H337-C341 PolarHBondContact O-N 2.91Å; H337-C341 VanDerWaalsContact O-N 3.15Å; H337-Q490 PolarHBondContact ND1-OE1 3.33Å; H337-H604 AromaticContact CE1-CE1 3.67Å; H337-H604 AromaticContact CE1-NE2 3.49Å; H337-H604 PolarHBondContact CE1-NE2 3.2Å; H337-H604 AromaticContact NE2-NE2 3.48Å; H337-H604 PolarHBondContact NE2-NE2 3.14Å; H337-D681 IonicContact CD2-OD1 3.79Å; H337-D681 PolarHBondContact N-O 2.82Å; H337-D681 IonicContact NE2-OD1 2.68Å; H337-D682 IonicContact CD2-OD1 2.78Å; H337-D682 IonicContact CD2-OD2 3.86Å
338	A	96.9	Very high	95.7	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-66.6	-31.8	-174.4	0	0	0	0	0	113.3	S340 C341 F435 I439 L456 R457 L458 W487	A338-S340 PolarHBondContact O-N 2.81Å; A338-C341 PolarHBondContact O-SG 3.11Å; A338-F435 HydrophobicContact CB-CZ 3.99Å; A338-F435 WeakPolarHBondContact O-CE2 3.18Å; A338-F435 WeakPolarHBondContact O-CZ 3.42Å; A338-I439 HydrophobicContact CB-CD1 4.45Å; A338-L456 HydrophobicContact CB-CB 4.2Å; A338-R457 WeakPolarHBondContact CB-O 3.44Å; A338-R457 PolarHBondContact N-O 2.78Å; A338-L458 HydrophobicContact CB-CD2 3.76Å; A338-L458 HydrophobicContact CB-CG 4.26Å; A338-W487 HydrophobicContact CB-CZ3 4.28Å
339	A	93.8	Very high	95.8	Very high	25 Å²	25	22.1 Å²	22.1	21%	0.207	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-69.4	-11	-178.6	0	0	0	0	0	114.3	H337	H337-A339 VanDerWaalsContact C-N 3.32Å; H337-A339 PolarHBondContact O-N 3.06Å
340	S	94.2	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-136.7	9.7	-171	46.1	0	0	0	0	112.5	H337 A338 M342 D682 P683 L684	H337-S340 WeakPolarHBondContact CB-OG 3.34Å; H337-S340 PolarHBondContact O-N 3.21Å; H337-S340 PolarHBondContact O-OG 3.21Å; A338-S340 PolarHBondContact O-N 2.81Å; S340-M342 PolarHBondContact O-N 2.86Å; S340-D682 WeakPolarHBondContact CB-OD1 3.27Å; S340-D682 PolarHBondContact OG-OD1 2.99Å; S340-P683 WeakPolarHBondContact O-CB 3.44Å; S340-P683 VanDerWaalsContact O-CD 3.29Å; S340-P683 WeakPolarHBondContact O-CD 3.4Å; S340-L684 WeakPolarHBondContact O-CB 3.13Å; S340-L684 PolarHBondContact O-N 3.3Å
341	C	95.8	Very high	95.7	Very high	6 Å²	6	19.9 Å²	19.9	4%	0.041	9%	0.092	C	C	.	.			trans	-67.5	2.3	-172.6	65	0	0	0	0	116.2	I336 H337 A338 I439 L456	I336-C341 HydrophobicContact CD1-CB 3.66Å; I336-C341 HydrophobicContact CG1-CB 3.92Å; H337-C341 WeakPolarHBondContact O-CB 3.32Å; H337-C341 PolarHBondContact O-N 2.91Å; H337-C341 VanDerWaalsContact O-N 3.15Å; A338-C341 PolarHBondContact O-SG 3.11Å; C341-I439 VanDerWaalsContact SG-CD1 3.57Å; C341-L456 HydrophobicContact CB-CD2 3.59Å
342	M	95.2	Very high	95.5	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	11%	0.105	C	C	.	.	S	Bend	trans	-129.8	144	179	68.9	-66.4	171.8	0	0	110.8	S340 H346 L347 L424 I438 V442 L684	S340-M342 PolarHBondContact O-N 2.86Å; M342-H346 HydrophobicContact CB-CB 4.03Å; M342-H346 HydrophobicContact CG-CB 4.22Å; M342-L347 HydrophobicContact CE-CB 4.08Å; M342-L347 HydrophobicContact CE-CD1 3.91Å; M342-L347 HydrophobicContact CE-CD2 4.24Å; M342-L347 HydrophobicContact CE-CG 4.29Å; M342-L424 HydrophobicContact CE-CD2 3.56Å; M342-I438 HydrophobicContact CE-CD1 4.47Å; M342-I438 HydrophobicContact CE-CG2 3.89Å; M342-I438 HydrophobicContact CG-CG2 3.92Å; M342-I438 HydrophobicContact SD-CG2 3.57Å; M342-I438 VanDerWaalsContact SD-CG2 3.57Å; M342-V442 HydrophobicContact CB-CG2 3.76Å; M342-L684 HydrophobicContact CE-CD2 4.44Å; M342-L684 VanDerWaalsContact O-CA 3.27Å; M342-L684 WeakPolarHBondContact O-CA 3.47Å; M342-L684 VanDerWaalsContact O-CB 3.28Å; M342-L684 WeakPolarHBondContact O-CB 3.37Å; M342-L684 PolarHBondContact O-N 2.89Å
343	N	93.8	Very high	95.3	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	13%	0.125	C	C	.	.			trans	-64.9	160.2	179.3	68.2	57.8	0	0	0	113	K345 H346 L347 T689	N343-K345 PolarHBondContact O-N 2.87Å; N343-K345 VanDerWaalsContact O-N 3.14Å; N343-K345 WeakPolarHBondContact OD1-CA 3.37Å; N343-K345 WeakPolarHBondContact OD1-CB 3.42Å; N343-K345 PolarHBondContact OD1-N 3.16Å; N343-H346 VanDerWaalsContact O-CB 3.31Å; N343-H346 WeakPolarHBondContact O-CB 3.34Å; N343-H346 PolarHBondContact O-N 3.13Å; N343-H346 PolarHBondContact OD1-N 2.94Å; N343-L347 PolarHBondContact O-N 3.46Å; N343-L347 VanDerWaalsContact O-N 3.15Å; N343-T689 PolarHBondContact ND2-O 3.46Å
344	Q	92.3	Very high	95	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	13%	0.125	C	C	.	.	H	α-helix	trans	-52.2	-33	177.7	54.5	-176.9	-19.6	0	0	115.3	L348 V389 V394 H395 L684	Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 PolarHBondContact O-N 3.37Å; Q344-V389 HydrophobicContact CB-CG1 4.05Å; Q344-V389 HydrophobicContact CG-CG1 3.63Å; Q344-V394 HydrophobicContact CB-CG2 3.67Å; Q344-H395 PolarHBondContact NE2-ND1 3.49Å; Q344-L684 HydrophobicContact CB-CD1 4.23Å
345	K	93.5	Very high	94.7	Very high	156 Å²	156	28.1 Å²	28.1	68%	0.678	13%	0.128	S	C	*	.	H	α-helix	trans	-73.9	-33.2	178.7	-174.1	179.8	-178.8	178	0	111.9	N343 R349	N343-K345 PolarHBondContact O-N 2.87Å; N343-K345 VanDerWaalsContact O-N 3.14Å; N343-K345 WeakPolarHBondContact OD1-CA 3.37Å; N343-K345 WeakPolarHBondContact OD1-CB 3.42Å; N343-K345 PolarHBondContact OD1-N 3.16Å; K345-R349 VanDerWaalsContact O-CB 3.29Å; K345-R349 WeakPolarHBondContact O-CB 3.15Å; K345-R349 PolarHBondContact O-N 2.77Å
346	H	95.1	Very high	94.4	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.06	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-50.7	171.8	-165.9	148.4	0	0	0	110.3	M342 N343 L348 R349 F350 E441	M342-H346 HydrophobicContact CB-CB 4.03Å; M342-H346 HydrophobicContact CG-CB 4.22Å; N343-H346 VanDerWaalsContact O-CB 3.31Å; N343-H346 WeakPolarHBondContact O-CB 3.34Å; N343-H346 PolarHBondContact O-N 3.13Å; N343-H346 PolarHBondContact OD1-N 2.94Å; H346-L348 VanDerWaalsContact C-N 3.35Å; H346-L348 PolarHBondContact O-N 3.11Å; H346-R349 PolarHBondContact CD2-NH2 3.05Å; H346-R349 PolarHBondContact CE1-NH2 3Å; H346-R349 PolarHBondContact NE2-NH2 2.95Å; H346-R349 VanDerWaalsContact NE2-NH2 3.15Å; H346-R349 WeakPolarHBondContact O-CB 3.08Å; H346-R349 PolarHBondContact O-N 3.38Å; H346-F350 WeakPolarHBondContact O-CB 3.23Å; H346-F350 PolarHBondContact O-N 2.71Å; H346-E441 IonicContact CD2-OE2 3.83Å; H346-E441 IonicContact CE1-OE2 3.27Å; H346-E441 WeakPolarHBondContact NE2-CB 3.27Å; H346-E441 IonicContact NE2-OE2 3.38Å; H346-E441 PolarHBondContact NE2-OE2 2.79Å
347	L	94.9	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-45.4	178	179.7	57.9	0	0	0	111.5	M342 N343 R349 F350 I351 L392 P413 L424 I438 L684	M342-L347 HydrophobicContact CE-CB 4.08Å; M342-L347 HydrophobicContact CE-CD1 3.91Å; M342-L347 HydrophobicContact CE-CD2 4.24Å; M342-L347 HydrophobicContact CE-CG 4.29Å; N343-L347 PolarHBondContact O-N 3.46Å; N343-L347 VanDerWaalsContact O-N 3.15Å; L347-R349 PolarHBondContact O-N 2.88Å; L347-F350 PolarHBondContact O-N 3.5Å; L347-I351 HydrophobicContact CD1-CD1 3.82Å; L347-I351 HydrophobicContact CD1-CG1 4.03Å; L347-I351 HydrophobicContact CG-CD1 3.84Å; L347-I351 HydrophobicContact CG-CG1 4.45Å; L347-I351 WeakPolarHBondContact O-CG1 3.32Å; L347-I351 PolarHBondContact O-N 3.46Å; L347-L392 HydrophobicContact CG-CD1 4.41Å; L347-P413 HydrophobicContact CD2-CG 4.26Å; L347-L424 HydrophobicContact CD1-CD2 4.17Å; L347-I438 HydrophobicContact CD1-CD1 4.16Å; L347-L684 HydrophobicContact CB-CD1 4.16Å; L347-L684 HydrophobicContact CD2-CD1 3.81Å; L347-L684 HydrophobicContact CD2-CD2 4.06Å
348	L	93.8	Very high	94	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-46.1	175.5	-174.9	64.4	0	0	0	112.5	Q344 H346 F350 I351 K352 L387 V389 L392	Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 PolarHBondContact O-N 3.37Å; H346-L348 VanDerWaalsContact C-N 3.35Å; H346-L348 PolarHBondContact O-N 3.11Å; L348-F350 VanDerWaalsContact C-N 3.29Å; L348-F350 PolarHBondContact O-N 3.16Å; L348-I351 PolarHBondContact O-N 2.85Å; L348-K352 HydrophobicContact CD1-CG 4.46Å; L348-K352 WeakPolarHBondContact O-CG 3.14Å; L348-K352 PolarHBondContact O-N 3.32Å; L348-L387 HydrophobicContact CD1-CB 3.91Å; L348-V389 HydrophobicContact CD2-CB 4.47Å; L348-V389 HydrophobicContact CD2-CG2 3.63Å; L348-L392 HydrophobicContact CB-CD1 3.85Å; L348-L392 HydrophobicContact CD1-CD1 4.2Å; L348-L392 HydrophobicContact CD1-CD2 4.25Å; L348-L392 HydrophobicContact CD1-CG 4.21Å
349	R	94.6	Very high	93.7	Very high	127 Å²	127	44.1 Å²	44.1	48%	0.479	21%	0.21	S	C	.	.	H	α-helix	trans	-57.1	-44.5	175.9	179.7	-171.4	76.1	-170.3	2.6	110.8	K345 H346 L347 K353 E441	K345-R349 VanDerWaalsContact O-CB 3.29Å; K345-R349 WeakPolarHBondContact O-CB 3.15Å; K345-R349 PolarHBondContact O-N 2.77Å; H346-R349 PolarHBondContact CD2-NH2 3.05Å; H346-R349 PolarHBondContact CE1-NH2 3Å; H346-R349 PolarHBondContact NE2-NH2 2.95Å; H346-R349 VanDerWaalsContact NE2-NH2 3.15Å; H346-R349 WeakPolarHBondContact O-CB 3.08Å; H346-R349 PolarHBondContact O-N 3.38Å; L347-R349 PolarHBondContact O-N 2.88Å; R349-K353 WeakPolarHBondContact O-CB 3.36Å; R349-K353 PolarHBondContact O-N 2.82Å; R349-E441 IonicContact CZ-OE2 2.85Å; R349-E441 IonicContact NE-OE2 3.48Å; R349-E441 IonicContact NH2-OE2 2.74Å; R349-E441 PolarHBondContact NH2-OE2 2.78Å
350	F	95.5	Very high	93.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-50.8	179.2	-171.3	-86.6	0	0	0	111.5	H346 L347 L348 K352 K353 T354 F423 Y434 Q437 I438	H346-F350 WeakPolarHBondContact O-CB 3.23Å; H346-F350 PolarHBondContact O-N 2.71Å; L347-F350 PolarHBondContact O-N 3.5Å; L348-F350 VanDerWaalsContact C-N 3.29Å; L348-F350 PolarHBondContact O-N 3.16Å; F350-K352 VanDerWaalsContact C-N 3.34Å; F350-K352 PolarHBondContact O-N 2.87Å; F350-K353 WeakPolarHBondContact O-CB 3.32Å; F350-K353 PolarHBondContact O-N 3.43Å; F350-T354 WeakPolarHBondContact CE1-OG1 3.41Å; F350-T354 WeakPolarHBondContact O-CB 3.18Å; F350-T354 PolarHBondContact O-N 3.22Å; F350-T354 PolarHBondContact O-OG1 3.44Å; F350-T354 VanDerWaalsContact O-OG1 3.09Å; F350-F423 AromaticContact CD1-CD1 3.98Å; F350-F423 HydrophobicContact CD1-CD1 3.98Å; F350-F423 HydrophobicContact CD1-CE1 4.07Å; F350-F423 AromaticContact CE1-CD1 3.88Å; F350-F423 HydrophobicContact CE1-CD1 3.88Å; F350-F423 AromaticContact CE1-CE1 3.96Å; F350-F423 HydrophobicContact CE1-CE1 3.96Å; F350-Y434 HydrophobicContact CE1-CD1 4.35Å; F350-Y434 HydrophobicContact CE1-CG 4.46Å; F350-Y434 HydrophobicContact CZ-CD1 4.37Å; F350-Q437 HydrophobicContact CE2-CB 3.82Å; F350-Q437 HydrophobicContact CZ-CB 3.75Å; F350-I438 HydrophobicContact CB-CG1 4.46Å; F350-I438 HydrophobicContact CD1-CD1 3.79Å; F350-I438 HydrophobicContact CD1-CG1 3.69Å; F350-I438 HydrophobicContact CD2-CG1 3.77Å; F350-I438 HydrophobicContact CE1-CD1 3.99Å; F350-I438 HydrophobicContact CE1-CG1 3.8Å; F350-I438 HydrophobicContact CE2-CG1 3.87Å; F350-I438 HydrophobicContact CG-CD1 4.19Å; F350-I438 HydrophobicContact CG-CG1 3.69Å; F350-I438 HydrophobicContact CZ-CG1 3.89Å
351	I	93.6	Very high	93.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-46.3	177.8	-68.9	170.3	0	0	0	110.9	L347 L348 T354 L355 F377 L387 L392 F423	L347-I351 HydrophobicContact CD1-CD1 3.82Å; L347-I351 HydrophobicContact CD1-CG1 4.03Å; L347-I351 HydrophobicContact CG-CD1 3.84Å; L347-I351 HydrophobicContact CG-CG1 4.45Å; L347-I351 WeakPolarHBondContact O-CG1 3.32Å; L347-I351 PolarHBondContact O-N 3.46Å; L348-I351 PolarHBondContact O-N 2.85Å; I351-T354 PolarHBondContact O-N 2.85Å; I351-L355 VanDerWaalsContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CB 3.34Å; I351-L355 PolarHBondContact O-N 3.4Å; I351-F377 HydrophobicContact CG2-CE1 4.36Å; I351-F377 HydrophobicContact CG2-CE2 4.41Å; I351-F377 HydrophobicContact CG2-CZ 3.65Å; I351-L387 HydrophobicContact CG2-CD1 4.2Å; I351-L392 HydrophobicContact CD1-CD2 4.26Å; I351-F423 HydrophobicContact CB-CZ 4.48Å; I351-F423 HydrophobicContact CD1-CD2 4.49Å; I351-F423 HydrophobicContact CG1-CD1 4.2Å; I351-F423 HydrophobicContact CG1-CD2 4.2Å; I351-F423 HydrophobicContact CG1-CE1 4.08Å; I351-F423 HydrophobicContact CG1-CE2 4.08Å; I351-F423 HydrophobicContact CG1-CG 4.26Å; I351-F423 HydrophobicContact CG1-CZ 4.02Å; I351-F423 HydrophobicContact CG2-CZ 4.38Å
352	K	92.6	Very high	93.5	Very high	64 Å²	64	53.2 Å²	53.2	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-40	177.7	-69.4	-163.4	-174.1	-143.8	0	113.1	L348 F350 K356 T384 Y385 L387	L348-K352 HydrophobicContact CD1-CG 4.46Å; L348-K352 WeakPolarHBondContact O-CG 3.14Å; L348-K352 PolarHBondContact O-N 3.32Å; F350-K352 VanDerWaalsContact C-N 3.34Å; F350-K352 PolarHBondContact O-N 2.87Å; K352-K356 WeakPolarHBondContact O-CB 3.32Å; K352-K356 PolarHBondContact O-N 3.35Å; K352-K356 VanDerWaalsContact O-N 3.08Å; K352-T384 WeakPolarHBondContact CE-O 3.34Å; K352-T384 PolarHBondContact NZ-O 3.06Å; K352-Y385 PolarHBondContact NZ-O 3.34Å; K352-L387 WeakPolarHBondContact CE-O 3.3Å; K352-L387 PolarHBondContact NZ-O 2.92Å
353	K	94.3	Very high	93.4	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-47.4	175.2	171.9	-177.3	168.2	-175.9	0	111	R349 F350 K356 N357 E441	R349-K353 WeakPolarHBondContact O-CB 3.36Å; R349-K353 PolarHBondContact O-N 2.82Å; F350-K353 WeakPolarHBondContact O-CB 3.32Å; F350-K353 PolarHBondContact O-N 3.43Å; K353-K356 PolarHBondContact O-N 2.97Å; K353-N357 WeakPolarHBondContact O-CB 3.44Å; K353-N357 VanDerWaalsContact O-CG 3.27Å; K353-N357 PolarHBondContact O-N 3.27Å; K353-N357 VanDerWaalsContact O-N 3.09Å; K353-E441 IonicContact NZ-OE1 2.62Å; K353-E441 PolarHBondContact NZ-OE1 2.85Å
354	T	93.9	Very high	93.2	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-71.1	-42.8	-178.9	-59.5	0	0	0	0	112.1	F350 I351 K356 N357 N358 L373 F423 Y434	F350-T354 WeakPolarHBondContact CE1-OG1 3.41Å; F350-T354 WeakPolarHBondContact O-CB 3.18Å; F350-T354 PolarHBondContact O-N 3.22Å; F350-T354 PolarHBondContact O-OG1 3.44Å; F350-T354 VanDerWaalsContact O-OG1 3.09Å; I351-T354 PolarHBondContact O-N 2.85Å; T354-K356 PolarHBondContact O-N 3.4Å; T354-N357 PolarHBondContact O-N 3.43Å; T354-N358 HydrophobicContact CG2-CB 4.21Å; T354-N358 WeakPolarHBondContact O-CA 3.35Å; T354-N358 WeakPolarHBondContact O-CB 3.48Å; T354-N358 PolarHBondContact O-N 3.08Å; T354-L373 HydrophobicContact CG2-CD2 3.87Å; T354-F423 HydrophobicContact CG2-CE1 4.09Å; T354-F423 HydrophobicContact CG2-CZ 4.5Å; T354-Y434 HydrophobicContact CG2-CD1 3.76Å; T354-Y434 HydrophobicContact CG2-CE1 3.26Å; T354-Y434 HydrophobicContact CG2-CE2 4.19Å; T354-Y434 HydrophobicContact CG2-CG 4.42Å
355	L	91.1	Very high	92.9	Very high	14 Å²	14	55 Å²	55	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-26.1	175.2	-178.6	56.1	0	0	0	112.7	I351 A359 L373 F377 T384	I351-L355 VanDerWaalsContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CB 3.34Å; I351-L355 PolarHBondContact O-N 3.4Å; L355-A359 WeakPolarHBondContact O-CB 3.3Å; L355-L373 HydrophobicContact CB-CD2 4.35Å; L355-L373 HydrophobicContact CD1-CD2 4.33Å; L355-L373 HydrophobicContact CD1-CG 4Å; L355-F377 HydrophobicContact CD1-CD2 4.01Å; L355-F377 HydrophobicContact CD1-CG 4.44Å; L355-F377 HydrophobicContact CD2-CB 4.24Å; L355-F377 HydrophobicContact CD2-CD1 3.96Å; L355-F377 HydrophobicContact CD2-CD2 3.74Å; L355-F377 HydrophobicContact CD2-CE1 4.28Å; L355-F377 HydrophobicContact CD2-CE2 4.07Å; L355-F377 HydrophobicContact CD2-CG 3.68Å; L355-F377 HydrophobicContact CD2-CZ 4.33Å; L355-F377 HydrophobicContact CG-CD2 4.46Å; L355-T384 HydrophobicContact CB-CG2 4.17Å; L355-T384 HydrophobicContact CD2-CG2 3.43Å; L355-T384 VanDerWaalsContact CD2-CG2 3.43Å; L355-T384 HydrophobicContact CG-CG2 3.53Å
356	K	91.5	Very high	92.2	Very high	174 Å²	174	49.8 Å²	49.8	76%	0.757	25%	0.248	S	C	*	.	H	α-helix	trans	-74.7	-39.9	171.4	-175.8	178.3	178.2	-178.9	0	113.1	K352 K353 T354	K352-K356 WeakPolarHBondContact O-CB 3.32Å; K352-K356 PolarHBondContact O-N 3.35Å; K352-K356 VanDerWaalsContact O-N 3.08Å; K353-K356 PolarHBondContact O-N 2.97Å; T354-K356 PolarHBondContact O-N 3.4Å
357	N	93.7	Very high	91.4	Very high	110 Å²	110	57.3 Å²	57.3	59%	0.588	29%	0.289	S	S	*	.	H	α-helix	trans	-94.8	-30	-170.1	-65.7	-4.2	0	0	0	113.7	K353 T354	K353-N357 WeakPolarHBondContact O-CB 3.44Å; K353-N357 VanDerWaalsContact O-CG 3.27Å; K353-N357 PolarHBondContact O-N 3.27Å; K353-N357 VanDerWaalsContact O-N 3.09Å; T354-N357 PolarHBondContact O-N 3.43Å
358	N	93.5	Very high	90.7	Very high	48 Å²	48	60.8 Å²	60.8	26%	0.257	33%	0.325	S	S	.	.	S	Bend	trans	-124.9	24.8	-169.2	-64.1	73.4	0	0	0	112.1	T354 N360 E361 Y434	T354-N358 HydrophobicContact CG2-CB 4.21Å; T354-N358 WeakPolarHBondContact O-CA 3.35Å; T354-N358 WeakPolarHBondContact O-CB 3.48Å; T354-N358 PolarHBondContact O-N 3.08Å; N358-N360 PolarHBondContact O-N 3.26Å; N358-E361 HydrophobicContact CB-CB 4.25Å; N358-E361 PolarHBondContact ND2-OE2 3.27Å; N358-E361 VanDerWaalsContact O-CB 3.3Å; N358-E361 WeakPolarHBondContact O-CB 3.33Å; N358-E361 PolarHBondContact O-N 2.66Å; N358-Y434 WeakPolarHBondContact CB-OH 3.48Å
359	A	91.3	Very high	90.4	Very high	28 Å²	28	66.4 Å²	66.4	23%	0.231	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-37.8	-177.3	0	0	0	0	0	114.6	L355 A374	L355-A359 WeakPolarHBondContact O-CB 3.3Å; A359-A374 HydrophobicContact CB-CB 4.29Å; A359-A374 VanDerWaalsContact O-CB 3.28Å; A359-A374 WeakPolarHBondContact O-CB 3.46Å; A359-A374 PolarHBondContact O-N 3.11Å
360	N	93.4	Very high	90.2	Very high	140 Å²	140	65.7 Å²	65.7	75%	0.749	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.4	-176.1	-62.2	-21.5	0	0	0	113.7	N358 T372	N358-N360 PolarHBondContact O-N 3.26Å; N360-T372 WeakPolarHBondContact O-CG2 3.46Å
361	E	93.8	Very high	90	Very high	44 Å²	44	66.9 Å²	66.9	21%	0.206	36%	0.359	C	S	.	.	S	Bend	trans	-72.1	135	177.7	-162.5	169.4	144.1	0	0	109.9	N358 T372 L373 L430 K433	N358-E361 HydrophobicContact CB-CB 4.25Å; N358-E361 PolarHBondContact ND2-OE2 3.27Å; N358-E361 VanDerWaalsContact O-CB 3.3Å; N358-E361 WeakPolarHBondContact O-CB 3.33Å; N358-E361 PolarHBondContact O-N 2.66Å; E361-T372 CarbonylContact O-C 3.43Å; E361-T372 VanDerWaalsContact O-CA 3.22Å; E361-T372 WeakPolarHBondContact O-CA 3.47Å; E361-L373 PolarHBondContact O-N 2.95Å; E361-L430 HydrophobicContact CG-CD1 4.43Å; E361-L430 HydrophobicContact CG-CD2 4.45Å; E361-L430 WeakPolarHBondContact OE1-CD1 3.1Å; E361-K433 IonicContact OE1-NZ 2.92Å; E361-K433 PolarHBondContact OE1-NZ 2.88Å; E361-K433 IonicContact OE2-NZ 3.62Å; E361-K433 PolarHBondContact OE2-NZ 3.35Å
362	V	93.1	Very high	90	Very high	38 Å²	38	68.1 Å²	68.1	23%	0.23	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126	177.6	-177.6	0	0	0	0	109	Q370 M371 T372 Y429 L430	V362-Q370 HydrophobicContact CG1-CB 3.76Å; V362-Q370 HydrophobicContact CG1-CG 4.05Å; V362-M371 WeakPolarHBondContact CA-O 3.47Å; V362-T372 HydrophobicContact CG2-CG2 4.37Å; V362-Y429 HydrophobicContact CB-CE1 3.84Å; V362-Y429 HydrophobicContact CG1-CD1 4.18Å; V362-Y429 HydrophobicContact CG1-CE1 3.42Å; V362-Y429 VanDerWaalsContact CG1-CE1 3.42Å; V362-Y429 WeakPolarHBondContact O-CD1 3.3Å; V362-Y429 WeakPolarHBondContact O-CE1 3.34Å; V362-L430 WeakPolarHBondContact O-CD2 3.49Å
363	V	91.8	Very high	90	Very high	1 Å²	1	65 Å²	65	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-15.4	-170.7	-57.2	0	0	0	0	114.6	M371 L373 V376 V422 Y429 L430 Y434	V363-M371 PolarHBondContact N-O 2.97Å; V363-L373 HydrophobicContact CG1-CB 3.8Å; V363-L373 HydrophobicContact CG1-CD1 4.15Å; V363-L373 HydrophobicContact CG1-CG 4.46Å; V363-L373 HydrophobicContact CG2-CB 4.43Å; V363-L373 HydrophobicContact CG2-CD1 4.3Å; V363-V376 HydrophobicContact CG2-CG2 3.74Å; V363-V422 HydrophobicContact CB-CG1 3.96Å; V363-V422 HydrophobicContact CB-CG2 3.87Å; V363-V422 HydrophobicContact CG1-CG1 4.25Å; V363-V422 HydrophobicContact CG2-CG1 4.37Å; V363-V422 HydrophobicContact CG2-CG2 3.87Å; V363-Y429 WeakPolarHBondContact O-CB 3.43Å; V363-L430 HydrophobicContact CB-CD1 4.39Å; V363-L430 HydrophobicContact CG1-CD1 3.9Å; V363-Y434 HydrophobicContact CG1-CE2 4.02Å
364	T	89.2	Confident	89.8	Confident	9 Å²	9	61.3 Å²	61.3	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	166.9	179.2	-172.2	0	0	0	0	110.9	M371 V376	T364-M371 HydrophobicContact CG2-CB 4.05Å; T364-M371 PolarHBondContact O-N 3.44Å; T364-V376 HydrophobicContact CG2-CG2 3.7Å
365	V	87.4	Confident	89.7	Confident	66 Å²	66	64.7 Å²	64.7	40%	0.4	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.5	172.6	-178.6	0	0	0	0	108.2	Q369 Q370 Y429	V365-Q369 CarbonylContact C-O 3.56Å; V365-Q369 WeakPolarHBondContact CA-O 3.4Å; V365-Q370 HydrophobicContact CG2-CG 4.08Å; V365-Y429 HydrophobicContact CG2-CD2 3.75Å; V365-Y429 HydrophobicContact CG2-CE2 3.54Å
366	T	78.9	Confident	89.5	Confident	45 Å²	45	64.1 Å²	64.1	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	177.1	-62	0	0	0	0	109.1	G368 Q369	T366-G368 PolarHBondContact O-N 3.4Å; T366-G368 VanDerWaalsContact O-N 3.13Å; T366-Q369 PolarHBondContact N-O 3.4Å; T366-Q369 PolarHBondContact O-N 3.33Å
367	N	77.6	Confident	89.4	Confident	171 Å²	171	56 Å²	56	91%	0.914	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	33.3	-178.3	-58.9	-21.2	0	0	0	114.2	Q369	N367-Q369 VanDerWaalsContact C-N 3.26Å; N367-Q369 PolarHBondContact O-N 3.23Å
368	G	81	Confident	89.1	Confident	73 Å²	73	57.3 Å²	57.3	75%	0.753	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-7.7	-176.2	0	0	0	0	0	115.2	T366	T366-G368 PolarHBondContact O-N 3.4Å; T366-G368 VanDerWaalsContact O-N 3.13Å
369	Q	86.3	Confident	88.7	Confident	138 Å²	138	57.9 Å²	57.9	65%	0.645	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	129	175.7	-173.8	172.3	-3.2	0	0	111.1	V365 T366 N367	V365-Q369 CarbonylContact C-O 3.56Å; V365-Q369 WeakPolarHBondContact CA-O 3.4Å; T366-Q369 PolarHBondContact N-O 3.4Å; T366-Q369 PolarHBondContact O-N 3.33Å; N367-Q369 VanDerWaalsContact C-N 3.26Å; N367-Q369 PolarHBondContact O-N 3.23Å
370	Q	91.2	Very high	88.3	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.9	170.9	-74.6	178.8	7.5	0	0	110.7	V362 V365 Y429	V362-Q370 HydrophobicContact CG1-CB 3.76Å; V362-Q370 HydrophobicContact CG1-CG 4.05Å; V365-Q370 HydrophobicContact CG2-CG 4.08Å; Q370-Y429 PolarHBondContact NE2-OH 2.97Å
371	M	91.7	Very high	87.8	Confident	27 Å²	27	58.9 Å²	58.9	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.5	176.5	-64.7	-174.6	70.6	0	0	111.6	V362 V363 T364 Q375 V376	V362-M371 WeakPolarHBondContact CA-O 3.47Å; V363-M371 PolarHBondContact N-O 2.97Å; T364-M371 HydrophobicContact CG2-CB 4.05Å; T364-M371 PolarHBondContact O-N 3.44Å; M371-Q375 HydrophobicContact CB-CB 4.37Å; M371-Q375 HydrophobicContact CE-CB 4.08Å; M371-Q375 WeakPolarHBondContact CE-O 3.25Å; M371-V376 HydrophobicContact CB-CG2 4.01Å; M371-V376 HydrophobicContact CE-CG2 4.32Å
372	T	93.4	Very high	87.2	Confident	26 Å²	26	58.4 Å²	58.4	16%	0.16	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.9	169.4	69.8	0	0	0	0	111.7	N360 E361 V362 A374 Q375 V376	N360-T372 WeakPolarHBondContact O-CG2 3.46Å; E361-T372 CarbonylContact O-C 3.43Å; E361-T372 VanDerWaalsContact O-CA 3.22Å; E361-T372 WeakPolarHBondContact O-CA 3.47Å; V362-T372 HydrophobicContact CG2-CG2 4.37Å; T372-A374 PolarHBondContact O-N 3.24Å; T372-Q375 WeakPolarHBondContact O-CB 3.37Å; T372-Q375 PolarHBondContact O-N 3.38Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.46Å; T372-Q375 PolarHBondContact OG1-N 2.71Å; T372-Q375 PolarHBondContact OG1-OE1 2.86Å; T372-V376 PolarHBondContact O-N 3.25Å
373	L	91.6	Very high	86.5	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-53.5	-42.9	174.7	-173.1	59.8	0	0	0	111.6	T354 L355 E361 V363 Q375 V376 F377 V422 F423	T354-L373 HydrophobicContact CG2-CD2 3.87Å; L355-L373 HydrophobicContact CB-CD2 4.35Å; L355-L373 HydrophobicContact CD1-CD2 4.33Å; L355-L373 HydrophobicContact CD1-CG 4Å; E361-L373 PolarHBondContact O-N 2.95Å; V363-L373 HydrophobicContact CG1-CB 3.8Å; V363-L373 HydrophobicContact CG1-CD1 4.15Å; V363-L373 HydrophobicContact CG1-CG 4.46Å; V363-L373 HydrophobicContact CG2-CB 4.43Å; V363-L373 HydrophobicContact CG2-CD1 4.3Å; L373-Q375 PolarHBondContact O-N 2.67Å; L373-V376 PolarHBondContact O-N 3.03Å; L373-F377 HydrophobicContact CD1-CD2 4.14Å; L373-F377 HydrophobicContact CD1-CE2 3.87Å; L373-F377 HydrophobicContact CG-CD2 4.43Å; L373-F377 HydrophobicContact CG-CE2 4.47Å; L373-F377 WeakPolarHBondContact O-CD2 3.48Å; L373-F377 PolarHBondContact O-N 3.12Å; L373-F377 VanDerWaalsContact O-N 3.17Å; L373-V422 HydrophobicContact CD1-CG1 4.44Å; L373-F423 HydrophobicContact CD1-CE2 4.19Å; L373-F423 HydrophobicContact CD1-CZ 4.02Å
374	A	90.6	Very high	85.7	Confident	20 Å²	20	63.1 Å²	63.1	17%	0.165	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-41.8	174.3	0	0	0	0	0	112.9	A359 T372 V376 F377 Q378	A359-A374 HydrophobicContact CB-CB 4.29Å; A359-A374 VanDerWaalsContact O-CB 3.28Å; A359-A374 WeakPolarHBondContact O-CB 3.46Å; A359-A374 PolarHBondContact O-N 3.11Å; T372-A374 PolarHBondContact O-N 3.24Å; A374-V376 VanDerWaalsContact C-N 3.34Å; A374-V376 PolarHBondContact O-N 3.32Å; A374-F377 PolarHBondContact O-N 3.06Å; A374-Q378 WeakPolarHBondContact O-CB 3.24Å; A374-Q378 WeakPolarHBondContact O-CG 3.47Å; A374-Q378 PolarHBondContact O-N 3.22Å
375	Q	90.8	Very high	85	Confident	75 Å²	75	72.3 Å²	72.3	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-34.1	177.3	-73.2	168.4	-23.3	0	0	112.4	M371 T372 L373 Q378 S379	M371-Q375 HydrophobicContact CB-CB 4.37Å; M371-Q375 HydrophobicContact CE-CB 4.08Å; M371-Q375 WeakPolarHBondContact CE-O 3.25Å; T372-Q375 WeakPolarHBondContact O-CB 3.37Å; T372-Q375 PolarHBondContact O-N 3.38Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.46Å; T372-Q375 PolarHBondContact OG1-N 2.71Å; T372-Q375 PolarHBondContact OG1-OE1 2.86Å; L373-Q375 PolarHBondContact O-N 2.67Å; Q375-Q378 PolarHBondContact O-N 2.76Å; Q375-S379 WeakPolarHBondContact O-CB 3.24Å; Q375-S379 PolarHBondContact O-N 3.25Å
376	V	88.7	Confident	84.5	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-49.4	173.3	173.5	0	0	0	0	110.4	V363 T364 M371 T372 L373 A374 Q378 S379 M380	V363-V376 HydrophobicContact CG2-CG2 3.74Å; T364-V376 HydrophobicContact CG2-CG2 3.7Å; M371-V376 HydrophobicContact CB-CG2 4.01Å; M371-V376 HydrophobicContact CE-CG2 4.32Å; T372-V376 PolarHBondContact O-N 3.25Å; L373-V376 PolarHBondContact O-N 3.03Å; A374-V376 VanDerWaalsContact C-N 3.34Å; A374-V376 PolarHBondContact O-N 3.32Å; V376-Q378 PolarHBondContact O-N 2.93Å; V376-S379 PolarHBondContact O-N 3.12Å; V376-S379 VanDerWaalsContact O-N 3.16Å; V376-S379 PolarHBondContact O-OG 3.3Å; V376-M380 HydrophobicContact CG1-CE 4.14Å; V376-M380 PolarHBondContact O-N 2.75Å
377	F	88.1	Confident	84.8	Confident	5 Å²	5	70 Å²	70	2%	0.022	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-38.4	176.6	-83.1	-87.4	0	0	0	113.5	I351 L355 L373 A374 S379 M380 N381 L382 L387 I414 L419 F423	I351-F377 HydrophobicContact CG2-CE1 4.36Å; I351-F377 HydrophobicContact CG2-CE2 4.41Å; I351-F377 HydrophobicContact CG2-CZ 3.65Å; L355-F377 HydrophobicContact CD1-CD2 4.01Å; L355-F377 HydrophobicContact CD1-CG 4.44Å; L355-F377 HydrophobicContact CD2-CB 4.24Å; L355-F377 HydrophobicContact CD2-CD1 3.96Å; L355-F377 HydrophobicContact CD2-CD2 3.74Å; L355-F377 HydrophobicContact CD2-CE1 4.28Å; L355-F377 HydrophobicContact CD2-CE2 4.07Å; L355-F377 HydrophobicContact CD2-CG 3.68Å; L355-F377 HydrophobicContact CD2-CZ 4.33Å; L355-F377 HydrophobicContact CG-CD2 4.46Å; L373-F377 HydrophobicContact CD1-CD2 4.14Å; L373-F377 HydrophobicContact CD1-CE2 3.87Å; L373-F377 HydrophobicContact CG-CD2 4.43Å; L373-F377 HydrophobicContact CG-CE2 4.47Å; L373-F377 WeakPolarHBondContact O-CD2 3.48Å; L373-F377 PolarHBondContact O-N 3.12Å; L373-F377 VanDerWaalsContact O-N 3.17Å; A374-F377 PolarHBondContact O-N 3.06Å; F377-S379 VanDerWaalsContact C-N 3.33Å; F377-S379 PolarHBondContact O-N 3.29Å; F377-M380 HydrophobicContact CB-CE 4.39Å; F377-M380 HydrophobicContact CD1-CE 3.7Å; F377-M380 HydrophobicContact CD2-CE 4.38Å; F377-M380 HydrophobicContact CE1-CE 3.95Å; F377-M380 HydrophobicContact CG-CE 3.93Å; F377-M380 HydrophobicContact CZ-CE 4.4Å; F377-M380 PolarHBondContact O-N 3.08Å; F377-N381 PolarHBondContact O-N 2.99Å; F377-L382 HydrophobicContact CD1-CB 4.32Å; F377-L382 PolarHBondContact O-N 3.18Å; F377-L382 VanDerWaalsContact O-N 3.16Å; F377-L387 HydrophobicContact CD1-CD1 4.26Å; F377-L387 HydrophobicContact CE1-CD1 3.69Å; F377-L387 HydrophobicContact CE1-CD2 4.03Å; F377-L387 HydrophobicContact CE1-CG 4.44Å; F377-L387 HydrophobicContact CZ-CD1 4.42Å; F377-I414 HydrophobicContact CE1-CD1 4.5Å; F377-L419 HydrophobicContact CE1-CD1 4.47Å; F377-L419 HydrophobicContact CE1-CD2 4.42Å; F377-L419 HydrophobicContact CE2-CD2 3.79Å; F377-L419 HydrophobicContact CZ-CD1 4.3Å; F377-L419 HydrophobicContact CZ-CD2 3.62Å; F377-F423 HydrophobicContact CE2-CE2 4.47Å
378	Q	88.2	Confident	85.1	Confident	137 Å²	137	64.5 Å²	64.5	64%	0.64	35%	0.348	S	S	*	.	H	α-helix	trans	-61.5	-38.3	171.4	-73.1	166.2	-4.2	0	0	112.3	A374 Q375 V376 M380 N381	A374-Q378 WeakPolarHBondContact O-CB 3.24Å; A374-Q378 WeakPolarHBondContact O-CG 3.47Å; A374-Q378 PolarHBondContact O-N 3.22Å; Q375-Q378 PolarHBondContact O-N 2.76Å; V376-Q378 PolarHBondContact O-N 2.93Å; Q378-M380 PolarHBondContact O-N 2.97Å; Q378-N381 PolarHBondContact O-N 3.24Å
379	S	85.6	Confident	85.1	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-19.4	177.6	78.2	0	0	0	0	114.1	Q375 V376 F377 R418	Q375-S379 WeakPolarHBondContact O-CB 3.24Å; Q375-S379 PolarHBondContact O-N 3.25Å; V376-S379 PolarHBondContact O-N 3.12Å; V376-S379 VanDerWaalsContact O-N 3.16Å; V376-S379 PolarHBondContact O-OG 3.3Å; F377-S379 VanDerWaalsContact C-N 3.33Å; F377-S379 PolarHBondContact O-N 3.29Å; S379-R418 PolarHBondContact OG-NH1 3.28Å
380	M	82.8	Confident	84.8	Confident	38 Å²	38	62.6 Å²	62.6	19%	0.187	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.4	172.6	-62	179.1	-68.4	0	0	112.7	V376 F377 Q378 L382 E416 L419	V376-M380 HydrophobicContact CG1-CE 4.14Å; V376-M380 PolarHBondContact O-N 2.75Å; F377-M380 HydrophobicContact CB-CE 4.39Å; F377-M380 HydrophobicContact CD1-CE 3.7Å; F377-M380 HydrophobicContact CD2-CE 4.38Å; F377-M380 HydrophobicContact CE1-CE 3.95Å; F377-M380 HydrophobicContact CG-CE 3.93Å; F377-M380 HydrophobicContact CZ-CE 4.4Å; F377-M380 PolarHBondContact O-N 3.08Å; Q378-M380 PolarHBondContact O-N 2.97Å; M380-L382 HydrophobicContact CB-CD1 3.81Å; M380-L382 HydrophobicContact CB-CG 4.13Å; M380-L382 HydrophobicContact CE-CD1 4.44Å; M380-L382 HydrophobicContact SD-CD1 4.44Å; M380-E416 HydrophobicContact SD-CB 4.02Å; M380-E416 HydrophobicContact SD-CG 3.71Å; M380-L419 HydrophobicContact CE-CD1 3.95Å; M380-L419 HydrophobicContact CE-CD2 4.1Å; M380-L419 HydrophobicContact CE-CG 4.13Å; M380-L419 HydrophobicContact SD-CD1 4.06Å; M380-L419 HydrophobicContact SD-CG 4.28Å
381	N	82.6	Confident	84.3	Confident	150 Å²	150	61.3 Å²	61.3	80%	0.802	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	42.1	-173	-166.2	53.5	0	0	0	113.7	F377 Q378	F377-N381 PolarHBondContact O-N 2.99Å; Q378-N381 PolarHBondContact O-N 3.24Å
382	L	81.6	Confident	83.7	Confident	34 Å²	34	60 Å²	60	18%	0.178	32%	0.315	C	S	.	.			trans	-122.8	138.3	-177.7	-67.1	168.9	0	0	0	112.1	F377 M380 L387 I414	F377-L382 HydrophobicContact CD1-CB 4.32Å; F377-L382 PolarHBondContact O-N 3.18Å; F377-L382 VanDerWaalsContact O-N 3.16Å; M380-L382 HydrophobicContact CB-CD1 3.81Å; M380-L382 HydrophobicContact CB-CG 4.13Å; M380-L382 HydrophobicContact CE-CD1 4.44Å; M380-L382 HydrophobicContact SD-CD1 4.44Å; L382-L387 HydrophobicContact CD1-CD2 4.31Å; L382-I414 HydrophobicContact CD1-CD1 3.64Å; L382-I414 HydrophobicContact CD1-CG2 4.02Å
383	T	77.3	Confident	83.1	Confident	71 Å²	71	62.9 Å²	62.9	44%	0.436	33%	0.329	S	S	.	.			trans	-104.8	166.3	172.1	81.6	0	0	0	0	112.7	Y385 D386 L387	T383-Y385 PolarHBondContact O-N 2.95Å; T383-Y385 PolarHBondContact OG1-N 2.92Å; T383-D386 WeakPolarHBondContact CA-OD2 3.39Å; T383-D386 WeakPolarHBondContact CB-OD2 3.22Å; T383-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T383-D386 PolarHBondContact N-OD2 3.07Å; T383-D386 PolarHBondContact O-N 2.95Å; T383-D386 VanDerWaalsContact OG1-CG 3.24Å; T383-D386 PolarHBondContact OG1-OD2 2.88Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å
384	T	75.6	Confident	82.6	Confident	68 Å²	68	62.9 Å²	62.9	42%	0.417	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.5	172.2	42.5	0	0	0	0	113.9	K352 L355	K352-T384 WeakPolarHBondContact CE-O 3.34Å; K352-T384 PolarHBondContact NZ-O 3.06Å; L355-T384 HydrophobicContact CB-CG2 4.17Å; L355-T384 HydrophobicContact CD2-CG2 3.43Å; L355-T384 VanDerWaalsContact CD2-CG2 3.43Å; L355-T384 HydrophobicContact CG-CG2 3.53Å
385	Y	74.7	Confident	82.2	Confident	201 Å²	201	64.1 Å²	64.1	79%	0.788	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-51.2	179.4	-172.2	-99.3	0	0	0	110.5	K352 T383 L387	K352-Y385 PolarHBondContact NZ-O 3.34Å; T383-Y385 PolarHBondContact O-N 2.95Å; T383-Y385 PolarHBondContact OG1-N 2.92Å; Y385-L387 VanDerWaalsContact C-N 3.34Å; Y385-L387 PolarHBondContact O-N 3.38Å
386	D	77.2	Confident	81.5	Confident	62 Å²	62	61 Å²	61	33%	0.332	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.1	-169.4	-46.8	-49.5	0	0	0	113.5	T383 T388 M391	T383-D386 WeakPolarHBondContact CA-OD2 3.39Å; T383-D386 WeakPolarHBondContact CB-OD2 3.22Å; T383-D386 WeakPolarHBondContact CG2-OD2 3.42Å; T383-D386 PolarHBondContact N-OD2 3.07Å; T383-D386 PolarHBondContact O-N 2.95Å; T383-D386 VanDerWaalsContact OG1-CG 3.24Å; T383-D386 PolarHBondContact OG1-OD2 2.88Å; D386-T388 WeakPolarHBondContact O-CG2 3.41Å; D386-T388 PolarHBondContact O-N 3.16Å; D386-M391 HydrophobicContact CB-CE 4.41Å; D386-M391 HydrophobicContact CB-SD 4.4Å; D386-M391 WeakPolarHBondContact O-CE 3.43Å
387	L	83.4	Confident	81	Confident	2 Å²	2	64 Å²	64	1%	0.01	34%	0.335	C	S	.	.			trans	-53.9	102.3	-178.2	-62.6	171.9	0	0	0	111.9	L348 I351 K352 F377 L382 T383 Y385 I414	L348-L387 HydrophobicContact CD1-CB 3.91Å; I351-L387 HydrophobicContact CG2-CD1 4.2Å; K352-L387 WeakPolarHBondContact CE-O 3.3Å; K352-L387 PolarHBondContact NZ-O 2.92Å; F377-L387 HydrophobicContact CD1-CD1 4.26Å; F377-L387 HydrophobicContact CE1-CD1 3.69Å; F377-L387 HydrophobicContact CE1-CD2 4.03Å; F377-L387 HydrophobicContact CE1-CG 4.44Å; F377-L387 HydrophobicContact CZ-CD1 4.42Å; L382-L387 HydrophobicContact CD1-CD2 4.31Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; Y385-L387 VanDerWaalsContact C-N 3.34Å; Y385-L387 PolarHBondContact O-N 3.38Å; L387-I414 HydrophobicContact CD2-CD1 3.43Å; L387-I414 VanDerWaalsContact CD2-CD1 3.43Å
388	T	85.2	Confident	80.3	Confident	55 Å²	55	75.3 Å²	75.3	34%	0.337	38%	0.377	S	S	.	.			trans	-93.4	-179.5	168.2	73.7	0	0	0	0	111	D386 D390 M391	D386-T388 WeakPolarHBondContact O-CG2 3.41Å; D386-T388 PolarHBondContact O-N 3.16Å; T388-D390 PolarHBondContact OG1-N 2.71Å; T388-D390 PolarHBondContact OG1-OD2 3.08Å; T388-M391 PolarHBondContact OG1-N 3.25Å
389	V	81.1	Confident	79.8	Confident	39 Å²	39	73.5 Å²	73.5	24%	0.236	37%	0.372	C	S	.	.	S	Bend	trans	-67.1	-45.4	169.8	173.5	0	0	0	0	109.5	Q344 L348 M391 L392	Q344-V389 HydrophobicContact CB-CG1 4.05Å; Q344-V389 HydrophobicContact CG-CG1 3.63Å; L348-V389 HydrophobicContact CD2-CB 4.47Å; L348-V389 HydrophobicContact CD2-CG2 3.63Å; V389-M391 VanDerWaalsContact C-N 3.33Å; V389-M391 PolarHBondContact O-N 2.89Å; V389-L392 WeakPolarHBondContact O-CB 3.33Å; V389-L392 PolarHBondContact O-N 2.77Å
390	D	80.4	Confident	79.1	Confident	132 Å²	132	70.6 Å²	70.6	71%	0.706	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-64.1	-36.8	-178.5	-31.3	-78	0	0	0	111.8	T388 L392 D393	T388-D390 PolarHBondContact OG1-N 2.71Å; T388-D390 PolarHBondContact OG1-OD2 3.08Å; D390-L392 PolarHBondContact O-N 3.43Å; D390-D393 PolarHBondContact O-N 3.39Å
391	M	80.3	Confident	78.5	Confident	84 Å²	84	72 Å²	72	41%	0.414	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-64.7	-19.5	174.1	-75	-163.8	-172.1	0	0	114	D386 T388 V389 D393 I414	D386-M391 HydrophobicContact CB-CE 4.41Å; D386-M391 HydrophobicContact CB-SD 4.4Å; D386-M391 WeakPolarHBondContact O-CE 3.43Å; T388-M391 PolarHBondContact OG1-N 3.25Å; V389-M391 VanDerWaalsContact C-N 3.33Å; V389-M391 PolarHBondContact O-N 2.89Å; M391-D393 PolarHBondContact O-N 2.87Å; M391-I414 WeakPolarHBondContact O-CA 3.47Å; M391-I414 WeakPolarHBondContact O-CG2 3.24Å
392	L	79.6	Confident	78.1	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-69.7	-21.5	172.2	-65.2	-173.7	0	0	0	112	L347 L348 I351 V389 D390 V394 P413 I414	L347-L392 HydrophobicContact CG-CD1 4.41Å; L348-L392 HydrophobicContact CB-CD1 3.85Å; L348-L392 HydrophobicContact CD1-CD1 4.2Å; L348-L392 HydrophobicContact CD1-CD2 4.25Å; L348-L392 HydrophobicContact CD1-CG 4.21Å; I351-L392 HydrophobicContact CD1-CD2 4.26Å; V389-L392 WeakPolarHBondContact O-CB 3.33Å; V389-L392 PolarHBondContact O-N 2.77Å; D390-L392 PolarHBondContact O-N 3.43Å; L392-V394 HydrophobicContact CB-CG1 4.09Å; L392-V394 HydrophobicContact CB-CG2 3.96Å; L392-V394 WeakPolarHBondContact O-CG1 3.35Å; L392-V394 PolarHBondContact O-N 3.37Å; L392-P413 HydrophobicContact CD2-CB 4.4Å; L392-I414 HydrophobicContact CD2-CD1 4.48Å; L392-I414 HydrophobicContact CD2-CG1 4.07Å; L392-I414 PolarHBondContact O-N 3.34Å
393	D	80.5	Confident	77.6	Confident	87 Å²	87	74.4 Å²	74.4	47%	0.465	36%	0.357	S	S	.	.			trans	44	30	-175.4	-163	45.6	0	0	0	114.8	D390 M391 K410	D390-D393 PolarHBondContact O-N 3.39Å; M391-D393 PolarHBondContact O-N 2.87Å; D393-K410 WeakPolarHBondContact O-CD 3.37Å; D393-K410 PolarHBondContact O-NZ 3.23Å; D393-K410 IonicContact OD1-NZ 3.65Å; D393-K410 PolarHBondContact OD1-NZ 3.42Å; D393-K410 IonicContact OD2-NZ 2.75Å; D393-K410 PolarHBondContact OD2-NZ 3.36Å
394	V	80.6	Confident	77.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.342	C	S	.	.			trans	-86	-15.1	-177.9	-68.9	0	0	0	0	113.7	Q344 L392 K410 P413 L684 Q685	Q344-V394 HydrophobicContact CB-CG2 3.67Å; L392-V394 HydrophobicContact CB-CG1 4.09Å; L392-V394 HydrophobicContact CB-CG2 3.96Å; L392-V394 WeakPolarHBondContact O-CG1 3.35Å; L392-V394 PolarHBondContact O-N 3.37Å; V394-K410 WeakPolarHBondContact CA-O 3.4Å; V394-K410 WeakPolarHBondContact CG1-O 3.24Å; V394-P413 HydrophobicContact CG1-CB 4.31Å; V394-P413 HydrophobicContact CG1-CG 4.45Å; V394-L684 HydrophobicContact CB-CD1 4.09Å; V394-L684 HydrophobicContact CB-CD2 4.46Å; V394-L684 HydrophobicContact CB-CG 4.03Å; V394-L684 HydrophobicContact CG1-CD1 4.45Å; V394-L684 HydrophobicContact CG1-CD2 4.43Å; V394-L684 HydrophobicContact CG1-CG 4.48Å; V394-L684 HydrophobicContact CG2-CD1 3.73Å; V394-L684 HydrophobicContact CG2-CG 4.19Å; V394-Q685 WeakPolarHBondContact O-CA 3.28Å; V394-Q685 WeakPolarHBondContact O-CG 3.36Å
395	H	82.3	Confident	77.2	Confident	45 Å²	45	73.2 Å²	73.2	21%	0.208	34%	0.344	C	S	.	.	S	Bend	trans	-81.1	142.3	-176.9	-157.8	72	0	0	0	111.5	Q344 K410 Q685 F688	Q344-H395 PolarHBondContact NE2-ND1 3.49Å; H395-K410 WeakPolarHBondContact O-CD 3.43Å; H395-K410 WeakPolarHBondContact O-CE 3.3Å; H395-K410 PolarHBondContact O-NZ 3.14Å; H395-Q685 PolarHBondContact CE1-O 2.95Å; H395-Q685 VanDerWaalsContact CE1-O 3.26Å; H395-Q685 PolarHBondContact ND1-O 3.21Å; H395-F688 AromaticContact CD2-CZ 4Å; H395-F688 AromaticContact CE1-CE1 3.85Å; H395-F688 AromaticContact CE1-CE2 3.67Å; H395-F688 AromaticContact CE1-CZ 3.41Å; H395-F688 VanDerWaalsContact CE1-CZ 3.41Å; H395-F688 WeakPolarHBondContact CE1-CZ 3.48Å; H395-F688 AromaticContact NE2-CE1 3.86Å; H395-F688 AromaticContact NE2-CE2 3.57Å; H395-F688 AromaticContact NE2-CZ 3.12Å; H395-F688 WeakPolarHBondContact NE2-CZ 3.33Å
396	A	76.4	Confident	77	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	32%	0.321	C	S	.	.			trans	-70.9	142.4	173.1	0	0	0	0	0	110.5	T400 Q685 F686	A396-T400 HydrophobicContact CB-CG2 4.36Å; A396-Q685 HydrophobicContact CB-CB 4.49Å; A396-Q685 PolarHBondContact N-O 2.99Å; A396-F686 HydrophobicContact CB-CD1 3.66Å; A396-F686 HydrophobicContact CB-CE1 3.47Å; A396-F686 VanDerWaalsContact CB-CE1 3.47Å
397	D	77.6	Confident	76.8	Confident	63 Å²	63	64.2 Å²	64.2	34%	0.337	31%	0.306	S	S	.	.			trans	-126.3	176.1	-175.2	81.2	-17.9	0	0	0	112.5	N399 T400	D397-N399 PolarHBondContact O-N 2.82Å; D397-N399 VanDerWaalsContact OD1-C 3.31Å; D397-N399 VanDerWaalsContact OD1-CA 3.3Å; D397-N399 WeakPolarHBondContact OD1-CA 3.37Å; D397-N399 WeakPolarHBondContact OD1-CB 3.42Å; D397-N399 PolarHBondContact OD1-N 3.31Å; D397-N399 WeakPolarHBondContact OD2-CB 3.49Å; D397-N399 PolarHBondContact OD2-ND2 3.32Å; D397-T400 PolarHBondContact N-OG1 3.07Å; D397-T400 VanDerWaalsContact O-CB 3.29Å; D397-T400 WeakPolarHBondContact O-CB 3.28Å; D397-T400 PolarHBondContact O-N 3.15Å; D397-T400 PolarHBondContact O-OG1 2.86Å; D397-T400 PolarHBondContact OD1-N 3.48Å; D397-T400 PolarHBondContact OD1-OG1 3.49Å
398	R	73.2	Confident	76.5	Confident	243 Å²	243	67.3 Å²	67.3	92%	0.917	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.1	175.9	-64.5	-177	67.4	177.3	1.4	113.7
399	N	77.2	Confident	75.8	Confident	98 Å²	98	67.3 Å²	67.3	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.1	178.8	-54.2	-69.5	0	0	0	113	D397 K406	D397-N399 PolarHBondContact O-N 2.82Å; D397-N399 VanDerWaalsContact OD1-C 3.31Å; D397-N399 VanDerWaalsContact OD1-CA 3.3Å; D397-N399 WeakPolarHBondContact OD1-CA 3.37Å; D397-N399 WeakPolarHBondContact OD1-CB 3.42Å; D397-N399 PolarHBondContact OD1-N 3.31Å; D397-N399 WeakPolarHBondContact OD2-CB 3.49Å; D397-N399 PolarHBondContact OD2-ND2 3.32Å; N399-K406 VanDerWaalsContact O-CD 3.24Å; N399-K406 WeakPolarHBondContact O-CD 3.35Å; N399-K406 PolarHBondContact O-NZ 3.16Å
400	T	71.3	Confident	75.8	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.2	179.5	-52.3	0	0	0	0	112	A396 D397 H402 R403 F407 L657	A396-T400 HydrophobicContact CB-CG2 4.36Å; D397-T400 PolarHBondContact N-OG1 3.07Å; D397-T400 VanDerWaalsContact O-CB 3.29Å; D397-T400 WeakPolarHBondContact O-CB 3.28Å; D397-T400 PolarHBondContact O-N 3.15Å; D397-T400 PolarHBondContact O-OG1 2.86Å; D397-T400 PolarHBondContact OD1-N 3.48Å; D397-T400 PolarHBondContact OD1-OG1 3.49Å; T400-H402 PolarHBondContact O-N 3.06Å; T400-R403 CarbonylContact O-C 3.54Å; T400-R403 WeakPolarHBondContact O-CA 3.49Å; T400-R403 PolarHBondContact O-N 2.82Å; T400-F407 HydrophobicContact CG2-CB 3.76Å; T400-L657 HydrophobicContact CG2-CD2 3.81Å
401	F	71.4	Confident	75.3	Confident	67 Å²	67	60.6 Å²	60.6	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	126.2	175.5	-164.1	-94.3	0	0	0	111.5	R403 N655 S656	F401-R403 PolarHBondContact O-N 2.99Å; F401-N655 WeakPolarHBondContact CD2-O 3.42Å; F401-N655 WeakPolarHBondContact CE2-O 3.48Å; F401-S656 VanDerWaalsContact CA-O 3.26Å; F401-S656 WeakPolarHBondContact CA-O 3.19Å; F401-S656 PolarHBondContact N-O 2.97Å
402	H	73.2	Confident	74.9	Confident	124 Å²	124	58 Å²	58	57%	0.574	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	27	-169.4	-59.7	-26.3	0	0	0	114.6	T400 L657 F658	T400-H402 PolarHBondContact O-N 3.06Å; H402-L657 PolarHBondContact N-O 3.08Å; H402-L657 PolarHBondContact ND1-O 3.23Å; H402-F658 PolarHBondContact CE1-O 2.83Å; H402-F658 VanDerWaalsContact CE1-O 3.31Å
403	R	71.8	Confident	74.4	Confident	110 Å²	110	58 Å²	58	42%	0.415	27%	0.274	S	S	.	.			trans	-132.9	68.3	-178.3	-68.4	-61.4	-59.7	-105.1	-1	111.3	T400 F401 D405 K406 F407	T400-R403 CarbonylContact O-C 3.54Å; T400-R403 WeakPolarHBondContact O-CA 3.49Å; T400-R403 PolarHBondContact O-N 2.82Å; F401-R403 PolarHBondContact O-N 2.99Å; R403-D405 WeakPolarHBondContact CA-OD1 3.46Å; R403-D405 WeakPolarHBondContact CB-OD1 3.47Å; R403-D405 IonicContact CZ-OD1 2.86Å; R403-D405 IonicContact CZ-OD2 2.93Å; R403-D405 IonicContact NE-OD1 2.67Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 IonicContact NE-OD2 2.74Å; R403-D405 IonicContact NH2-OD1 3.23Å; R403-D405 IonicContact NH2-OD2 3.12Å; R403-D405 PolarHBondContact NH2-OD2 3.14Å; R403-D405 PolarHBondContact O-N 3.39Å; R403-K406 HydrophobicContact CB-CB 4.26Å; R403-K406 HydrophobicContact CB-CD 3.99Å; R403-K406 HydrophobicContact CB-CG 4.18Å; R403-K406 HydrophobicContact CG-CD 4.44Å; R403-K406 WeakPolarHBondContact O-CB 3.3Å; R403-K406 PolarHBondContact O-N 2.96Å; R403-F407 PolarHBondContact O-N 2.57Å; R403-F407 VanDerWaalsContact O-N 3.11Å
404	F	73.6	Confident	74.1	Confident	28 Å²	28	56.2 Å²	56.2	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-23.3	179	-154.3	-87.3	0	0	0	112.9	F407 N408 D546 L657 F658	F404-F407 HydrophobicContact CD1-CD1 4.09Å; F404-F407 AromaticContact CD2-CD1 3.95Å; F404-F407 HydrophobicContact CD2-CD1 3.95Å; F404-F407 HydrophobicContact CD2-CE1 4.5Å; F404-F407 AromaticContact CE1-CD1 3.87Å; F404-F407 HydrophobicContact CE1-CD1 3.87Å; F404-F407 HydrophobicContact CE1-CE1 4.06Å; F404-F407 AromaticContact CE2-CD1 3.72Å; F404-F407 HydrophobicContact CE2-CD1 3.72Å; F404-F407 AromaticContact CE2-CE1 3.82Å; F404-F407 HydrophobicContact CE2-CE1 3.82Å; F404-F407 HydrophobicContact CG-CD1 4.14Å; F404-F407 AromaticContact CZ-CD1 3.69Å; F404-F407 HydrophobicContact CZ-CD1 3.69Å; F404-F407 AromaticContact CZ-CE1 3.57Å; F404-F407 HydrophobicContact CZ-CE1 3.57Å; F404-F407 PolarHBondContact O-N 2.75Å; F404-N408 VanDerWaalsContact CD1-ND2 3.28Å; F404-N408 WeakPolarHBondContact CD1-ND2 3.39Å; F404-N408 WeakPolarHBondContact CE1-ND2 3.38Å; F404-N408 WeakPolarHBondContact O-CB 3.1Å; F404-N408 PolarHBondContact O-N 3.34Å; F404-N408 PolarHBondContact O-ND2 3.23Å; F404-D546 HydrophobicContact CB-CB 4.22Å; F404-D546 WeakPolarHBondContact CB-OD2 3.44Å; F404-D546 HydrophobicContact CD1-CB 3.49Å; F404-D546 VanDerWaalsContact CD1-CB 3.49Å; F404-D546 HydrophobicContact CE1-CB 3.91Å; F404-D546 HydrophobicContact CG-CB 3.84Å; F404-L657 HydrophobicContact CD2-CD1 4.39Å; F404-L657 HydrophobicContact CE2-CD1 4.26Å; F404-F658 HydrophobicContact CD2-CE2 4.29Å; F404-F658 AromaticContact CD2-CZ 3.85Å; F404-F658 HydrophobicContact CD2-CZ 3.85Å; F404-F658 HydrophobicContact CE2-CE2 4.48Å; F404-F658 HydrophobicContact CE2-CZ 4.35Å
405	D	69.6	Low	73.7	Confident	86 Å²	86	58.7 Å²	58.7	46%	0.46	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-41.5	170.3	68.4	-47.7	0	0	0	112.5	R403 S409	R403-D405 WeakPolarHBondContact CA-OD1 3.46Å; R403-D405 WeakPolarHBondContact CB-OD1 3.47Å; R403-D405 IonicContact CZ-OD1 2.86Å; R403-D405 IonicContact CZ-OD2 2.93Å; R403-D405 IonicContact NE-OD1 2.67Å; R403-D405 PolarHBondContact NE-OD1 3.22Å; R403-D405 IonicContact NE-OD2 2.74Å; R403-D405 IonicContact NH2-OD1 3.23Å; R403-D405 IonicContact NH2-OD2 3.12Å; R403-D405 PolarHBondContact NH2-OD2 3.14Å; R403-D405 PolarHBondContact O-N 3.39Å; D405-S409 PolarHBondContact O-N 2.86Å
406	K	70.9	Confident	73.3	Confident	66 Å²	66	58.4 Å²	58.4	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-73.8	-39.7	174.6	-66.7	-179.4	-177.7	177.6	0	112.1	N399 R403 N408 S409 K410	N399-K406 VanDerWaalsContact O-CD 3.24Å; N399-K406 WeakPolarHBondContact O-CD 3.35Å; N399-K406 PolarHBondContact O-NZ 3.16Å; R403-K406 HydrophobicContact CB-CB 4.26Å; R403-K406 HydrophobicContact CB-CD 3.99Å; R403-K406 HydrophobicContact CB-CG 4.18Å; R403-K406 HydrophobicContact CG-CD 4.44Å; R403-K406 WeakPolarHBondContact O-CB 3.3Å; R403-K406 PolarHBondContact O-N 2.96Å; K406-N408 VanDerWaalsContact C-N 3.28Å; K406-N408 PolarHBondContact O-N 3.22Å; K406-S409 PolarHBondContact O-N 3.49Å; K406-S409 PolarHBondContact O-OG 2.95Å; K406-K410 WeakPolarHBondContact O-CG 3.29Å; K406-K410 PolarHBondContact O-N 3.45Å; K406-K410 VanDerWaalsContact O-N 3.12Å
407	F	72.4	Confident	73.5	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-45.5	172.6	164.6	-104.9	0	0	0	111	T400 R403 F404 S409 K410 Y411 L657 D682 Q685 F686	T400-F407 HydrophobicContact CG2-CB 3.76Å; R403-F407 PolarHBondContact O-N 2.57Å; R403-F407 VanDerWaalsContact O-N 3.11Å; F404-F407 HydrophobicContact CD1-CD1 4.09Å; F404-F407 AromaticContact CD2-CD1 3.95Å; F404-F407 HydrophobicContact CD2-CD1 3.95Å; F404-F407 HydrophobicContact CD2-CE1 4.5Å; F404-F407 AromaticContact CE1-CD1 3.87Å; F404-F407 HydrophobicContact CE1-CD1 3.87Å; F404-F407 HydrophobicContact CE1-CE1 4.06Å; F404-F407 AromaticContact CE2-CD1 3.72Å; F404-F407 HydrophobicContact CE2-CD1 3.72Å; F404-F407 AromaticContact CE2-CE1 3.82Å; F404-F407 HydrophobicContact CE2-CE1 3.82Å; F404-F407 HydrophobicContact CG-CD1 4.14Å; F404-F407 AromaticContact CZ-CD1 3.69Å; F404-F407 HydrophobicContact CZ-CD1 3.69Å; F404-F407 AromaticContact CZ-CE1 3.57Å; F404-F407 HydrophobicContact CZ-CE1 3.57Å; F404-F407 PolarHBondContact O-N 2.75Å; F407-S409 PolarHBondContact O-N 3.17Å; F407-K410 WeakPolarHBondContact O-CB 3.4Å; F407-K410 PolarHBondContact O-N 2.72Å; F407-Y411 AromaticContact CE1-CE2 3.95Å; F407-Y411 HydrophobicContact CE1-CE2 3.95Å; F407-Y411 HydrophobicContact CE2-CE2 4.44Å; F407-Y411 AromaticContact CZ-CE2 3.85Å; F407-Y411 HydrophobicContact CZ-CE2 3.85Å; F407-Y411 AromaticContact CZ-CZ 3.95Å; F407-Y411 WeakPolarHBondContact CZ-OH 3.34Å; F407-L657 HydrophobicContact CB-CD2 3.86Å; F407-L657 HydrophobicContact CD2-CD1 4.35Å; F407-L657 HydrophobicContact CD2-CD2 3.98Å; F407-L657 HydrophobicContact CE2-CD1 4.46Å; F407-L657 HydrophobicContact CG-CD1 4.38Å; F407-L657 HydrophobicContact CG-CD2 3.95Å; F407-D682 WeakPolarHBondContact CE2-OD2 3.41Å; F407-D682 WeakPolarHBondContact CZ-OD2 3.47Å; F407-Q685 HydrophobicContact CD2-CG 4.27Å; F407-Q685 HydrophobicContact CE2-CG 4.04Å; F407-F686 AromaticContact CD2-CZ 3.93Å; F407-F686 HydrophobicContact CD2-CZ 3.93Å; F407-F686 HydrophobicContact CE2-CE2 4.01Å; F407-F686 AromaticContact CE2-CZ 3.6Å; F407-F686 HydrophobicContact CE2-CZ 3.6Å
408	N	77.1	Confident	73.9	Confident	67 Å²	67	60.8 Å²	60.8	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-31.3	173.9	-92.1	-51.4	0	0	0	114	F404 K406	F404-N408 VanDerWaalsContact CD1-ND2 3.28Å; F404-N408 WeakPolarHBondContact CD1-ND2 3.39Å; F404-N408 WeakPolarHBondContact CE1-ND2 3.38Å; F404-N408 WeakPolarHBondContact O-CB 3.1Å; F404-N408 PolarHBondContact O-N 3.34Å; F404-N408 PolarHBondContact O-ND2 3.23Å; K406-N408 VanDerWaalsContact C-N 3.28Å; K406-N408 PolarHBondContact O-N 3.22Å
409	S	71.9	Confident	74.5	Confident	55 Å²	55	49.2 Å²	49.2	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-76.6	-24.1	174	67.2	0	0	0	0	113.8	D405 K406 F407 Y411 N412	D405-S409 PolarHBondContact O-N 2.86Å; K406-S409 PolarHBondContact O-N 3.49Å; K406-S409 PolarHBondContact O-OG 2.95Å; F407-S409 PolarHBondContact O-N 3.17Å; S409-Y411 PolarHBondContact O-N 3.46Å; S409-N412 WeakPolarHBondContact O-CB 3.14Å; S409-N412 PolarHBondContact O-N 3.22Å
410	K	80.1	Confident	74.9	Confident	12 Å²	12	47 Å²	47	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-21.3	178.1	-65.1	-59.4	-179	-178	0	114.1	D393 V394 H395 K406 F407 N412 Q685	D393-K410 WeakPolarHBondContact O-CD 3.37Å; D393-K410 PolarHBondContact O-NZ 3.23Å; D393-K410 IonicContact OD1-NZ 3.65Å; D393-K410 PolarHBondContact OD1-NZ 3.42Å; D393-K410 IonicContact OD2-NZ 2.75Å; D393-K410 PolarHBondContact OD2-NZ 3.36Å; V394-K410 WeakPolarHBondContact CA-O 3.4Å; V394-K410 WeakPolarHBondContact CG1-O 3.24Å; H395-K410 WeakPolarHBondContact O-CD 3.43Å; H395-K410 WeakPolarHBondContact O-CE 3.3Å; H395-K410 PolarHBondContact O-NZ 3.14Å; K406-K410 WeakPolarHBondContact O-CG 3.29Å; K406-K410 PolarHBondContact O-N 3.45Å; K406-K410 VanDerWaalsContact O-N 3.12Å; F407-K410 WeakPolarHBondContact O-CB 3.4Å; F407-K410 PolarHBondContact O-N 2.72Å; K410-N412 PolarHBondContact O-N 2.89Å; K410-Q685 HydrophobicContact CB-CG 3.96Å
411	Y	70.3	Confident	75.7	Confident	18 Å²	18	50.6 Å²	50.6	7%	0.071	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.8	169	-68.7	-77.6	0	0	0	114.4	F407 S409 P413 R420 D682 Q685	F407-Y411 AromaticContact CE1-CE2 3.95Å; F407-Y411 HydrophobicContact CE1-CE2 3.95Å; F407-Y411 HydrophobicContact CE2-CE2 4.44Å; F407-Y411 AromaticContact CZ-CE2 3.85Å; F407-Y411 HydrophobicContact CZ-CE2 3.85Å; F407-Y411 AromaticContact CZ-CZ 3.95Å; F407-Y411 WeakPolarHBondContact CZ-OH 3.34Å; S409-Y411 PolarHBondContact O-N 3.46Å; Y411-P413 WeakPolarHBondContact O-CD 3.34Å; Y411-R420 VanDerWaalsContact CB-NH2 3.26Å; Y411-R420 VanDerWaalsContact O-CD 3.23Å; Y411-R420 WeakPolarHBondContact O-CD 3.34Å; Y411-R420 VanDerWaalsContact O-CG 3.3Å; Y411-R420 WeakPolarHBondContact O-CG 3.49Å; Y411-D682 WeakPolarHBondContact CE1-OD1 3.06Å; Y411-D682 VanDerWaalsContact CZ-OD1 3.22Å; Y411-D682 VanDerWaalsContact OH-CG 3.29Å; Y411-D682 PolarHBondContact OH-OD1 3Å; Y411-D682 PolarHBondContact OH-OD2 3.29Å; Y411-Q685 VanDerWaalsContact CD1-NE2 3.26Å; Y411-Q685 VanDerWaalsContact CZ-NE2 3.29Å
412	N	71.1	Confident	76.7	Confident	31 Å²	31	47.6 Å²	47.6	17%	0.166	25%	0.246	C	C	.	.	S	Bend	trans	-96.8	103.7	177.2	-58.4	-13.2	0	0	0	109.3	S409 K410 I414 G415 R420	S409-N412 WeakPolarHBondContact O-CB 3.14Å; S409-N412 PolarHBondContact O-N 3.22Å; K410-N412 PolarHBondContact O-N 2.89Å; N412-I414 PolarHBondContact O-N 3.02Å; N412-G415 WeakPolarHBondContact O-CA 3.42Å; N412-G415 PolarHBondContact O-N 3.33Å; N412-R420 WeakPolarHBondContact OD1-CD 3.39Å; N412-R420 PolarHBondContact OD1-NH1 2.85Å
413	P	70.4	Confident	77.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.1	133.9	-178.9	-19.9	33	0	0	0	110.9	L347 L392 V394 Y411 G415 E416 L419 L424	L347-P413 HydrophobicContact CD2-CG 4.26Å; L392-P413 HydrophobicContact CD2-CB 4.4Å; V394-P413 HydrophobicContact CG1-CB 4.31Å; V394-P413 HydrophobicContact CG1-CG 4.45Å; Y411-P413 WeakPolarHBondContact O-CD 3.34Å; P413-G415 PolarHBondContact O-N 2.92Å; P413-E416 PolarHBondContact O-N 3.41Å; P413-L419 HydrophobicContact CB-CB 4.16Å; P413-L419 HydrophobicContact CB-CD1 4.34Å; P413-L419 HydrophobicContact CG-CB 4.23Å; P413-L424 HydrophobicContact CG-CD1 4.06Å
414	I	74.4	Confident	78.7	Confident	49 Å²	49	36.6 Å²	36.6	25%	0.251	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	60.1	22.9	-175.4	-31.6	-177.9	0	0	0	111.8	F377 L382 L387 M391 L392 N412 E416 L419	F377-I414 HydrophobicContact CE1-CD1 4.5Å; L382-I414 HydrophobicContact CD1-CD1 3.64Å; L382-I414 HydrophobicContact CD1-CG2 4.02Å; L387-I414 HydrophobicContact CD2-CD1 3.43Å; L387-I414 VanDerWaalsContact CD2-CD1 3.43Å; M391-I414 WeakPolarHBondContact O-CA 3.47Å; M391-I414 WeakPolarHBondContact O-CG2 3.24Å; L392-I414 HydrophobicContact CD2-CD1 4.48Å; L392-I414 HydrophobicContact CD2-CG1 4.07Å; L392-I414 PolarHBondContact O-N 3.34Å; N412-I414 PolarHBondContact O-N 3.02Å; I414-E416 PolarHBondContact O-N 3.02Å; I414-L419 HydrophobicContact CB-CD1 4.34Å; I414-L419 HydrophobicContact CD1-CD1 3.6Å; I414-L419 HydrophobicContact CG1-CD1 3.8Å
415	G	70.5	Confident	79.6	Confident	51 Å²	51	37.9 Å²	37.9	53%	0.526	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	71.1	-3.6	-170.5	0	0	0	0	0	114.8	N412 P413	N412-G415 WeakPolarHBondContact O-CA 3.42Å; N412-G415 PolarHBondContact O-N 3.33Å; P413-G415 PolarHBondContact O-N 2.92Å
416	E	75.2	Confident	80.7	Confident	40 Å²	40	35.1 Å²	35.1	19%	0.187	19%	0.191	C	C	.	.			trans	-90.8	119.6	-170.4	175.1	61.3	-113.9	0	0	111.9	M380 P413 I414 R418 L419	M380-E416 HydrophobicContact SD-CB 4.02Å; M380-E416 HydrophobicContact SD-CG 3.71Å; P413-E416 PolarHBondContact O-N 3.41Å; I414-E416 PolarHBondContact O-N 3.02Å; E416-R418 VanDerWaalsContact C-N 3.32Å; E416-R418 HydrophobicContact CG-CB 3.94Å; E416-R418 PolarHBondContact O-N 2.97Å; E416-R418 VanDerWaalsContact OE1-CB 3.3Å; E416-R418 WeakPolarHBondContact OE1-CB 3.22Å; E416-R418 WeakPolarHBondContact OE1-CG 3.23Å; E416-R418 IonicContact OE1-CZ 3.91Å; E416-R418 PolarHBondContact OE1-N 3.43Å; E416-R418 IonicContact OE1-NE 3.73Å; E416-R418 PolarHBondContact OE1-NE 3.35Å; E416-R418 IonicContact OE1-NH2 3.84Å; E416-R418 IonicContact OE2-CZ 2.76Å; E416-R418 IonicContact OE2-NE 2.65Å; E416-R418 PolarHBondContact OE2-NE 3.11Å; E416-R418 IonicContact OE2-NH2 2.84Å; E416-R418 PolarHBondContact OE2-NH2 3Å; E416-L419 HydrophobicContact CB-CD1 4.37Å; E416-L419 HydrophobicContact CB-CG 4.31Å; E416-L419 HydrophobicContact CG-CB 4.45Å; E416-L419 HydrophobicContact CG-CG 4.11Å; E416-L419 PolarHBondContact O-N 3.2Å
417	S	81.3	Confident	81.7	Confident	72 Å²	72	35.6 Å²	35.6	50%	0.503	20%	0.197	S	C	.	.	H	α-helix	trans	-67	-32.4	178.9	57	0	0	0	0	112.5	L419 R420 E421	S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 2.94Å; S417-R420 WeakPolarHBondContact O-CB 3.39Å; S417-R420 PolarHBondContact O-N 3.07Å; S417-R420 VanDerWaalsContact O-N 3.16Å; S417-E421 PolarHBondContact O-N 3.04Å
418	R	84.2	Confident	82.7	Confident	51 Å²	51	35.9 Å²	35.9	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-33.9	175.6	-65.8	175	-68.3	154.2	2.8	112.5	S379 E416 E421 V422	S379-R418 PolarHBondContact OG-NH1 3.28Å; E416-R418 VanDerWaalsContact C-N 3.32Å; E416-R418 HydrophobicContact CG-CB 3.94Å; E416-R418 PolarHBondContact O-N 2.97Å; E416-R418 VanDerWaalsContact OE1-CB 3.3Å; E416-R418 WeakPolarHBondContact OE1-CB 3.22Å; E416-R418 WeakPolarHBondContact OE1-CG 3.23Å; E416-R418 IonicContact OE1-CZ 3.91Å; E416-R418 PolarHBondContact OE1-N 3.43Å; E416-R418 IonicContact OE1-NE 3.73Å; E416-R418 PolarHBondContact OE1-NE 3.35Å; E416-R418 IonicContact OE1-NH2 3.84Å; E416-R418 IonicContact OE2-CZ 2.76Å; E416-R418 IonicContact OE2-NE 2.65Å; E416-R418 PolarHBondContact OE2-NE 3.11Å; E416-R418 IonicContact OE2-NH2 2.84Å; E416-R418 PolarHBondContact OE2-NH2 3Å; R418-E421 PolarHBondContact O-N 2.67Å; R418-V422 VanDerWaalsContact O-CG2 3.29Å; R418-V422 WeakPolarHBondContact O-CG2 3.28Å; R418-V422 PolarHBondContact O-N 2.9Å
419	L	85.8	Confident	83.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-38.1	176	-72.6	-177.7	0	0	0	112.1	F377 M380 P413 I414 E416 S417 E421 V422 F423	F377-L419 HydrophobicContact CE1-CD1 4.47Å; F377-L419 HydrophobicContact CE1-CD2 4.42Å; F377-L419 HydrophobicContact CE2-CD2 3.79Å; F377-L419 HydrophobicContact CZ-CD1 4.3Å; F377-L419 HydrophobicContact CZ-CD2 3.62Å; M380-L419 HydrophobicContact CE-CD1 3.95Å; M380-L419 HydrophobicContact CE-CD2 4.1Å; M380-L419 HydrophobicContact CE-CG 4.13Å; M380-L419 HydrophobicContact SD-CD1 4.06Å; M380-L419 HydrophobicContact SD-CG 4.28Å; P413-L419 HydrophobicContact CB-CB 4.16Å; P413-L419 HydrophobicContact CB-CD1 4.34Å; P413-L419 HydrophobicContact CG-CB 4.23Å; I414-L419 HydrophobicContact CB-CD1 4.34Å; I414-L419 HydrophobicContact CD1-CD1 3.6Å; I414-L419 HydrophobicContact CG1-CD1 3.8Å; E416-L419 HydrophobicContact CB-CD1 4.37Å; E416-L419 HydrophobicContact CB-CG 4.31Å; E416-L419 HydrophobicContact CG-CB 4.45Å; E416-L419 HydrophobicContact CG-CG 4.11Å; E416-L419 PolarHBondContact O-N 3.2Å; S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 2.94Å; L419-E421 VanDerWaalsContact C-N 3.34Å; L419-V422 PolarHBondContact O-N 3.07Å; L419-F423 HydrophobicContact CD2-CD2 4.25Å; L419-F423 HydrophobicContact CD2-CE2 4.01Å; L419-F423 WeakPolarHBondContact O-CB 3.41Å; L419-F423 WeakPolarHBondContact O-CD2 3.48Å; L419-F423 PolarHBondContact O-N 2.83Å
420	R	87.4	Confident	84.4	Confident	51 Å²	51	36.2 Å²	36.2	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-41.8	171.3	-176.2	-178.7	-173.9	172.3	5.5	111.5	Y411 N412 S417 L424	Y411-R420 VanDerWaalsContact CB-NH2 3.26Å; Y411-R420 VanDerWaalsContact O-CD 3.23Å; Y411-R420 WeakPolarHBondContact O-CD 3.34Å; Y411-R420 VanDerWaalsContact O-CG 3.3Å; Y411-R420 WeakPolarHBondContact O-CG 3.49Å; N412-R420 WeakPolarHBondContact OD1-CD 3.39Å; N412-R420 PolarHBondContact OD1-NH1 2.85Å; S417-R420 WeakPolarHBondContact O-CB 3.39Å; S417-R420 PolarHBondContact O-N 3.07Å; S417-R420 VanDerWaalsContact O-N 3.16Å; R420-L424 HydrophobicContact CG-CB 4.12Å; R420-L424 HydrophobicContact CG-CD1 4.35Å; R420-L424 CarbonylContact O-C 3.59Å; R420-L424 VanDerWaalsContact O-CA 3.28Å; R420-L424 WeakPolarHBondContact O-CA 3.3Å; R420-L424 WeakPolarHBondContact O-CB 3.34Å; R420-L424 PolarHBondContact O-N 3.21Å
421	E	87.9	Confident	85	Confident	76 Å²	76	41 Å²	41	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-49.7	176.5	-167.1	-167.8	145.6	0	0	111.3	S417 R418 L419 N428	S417-E421 PolarHBondContact O-N 3.04Å; R418-E421 PolarHBondContact O-N 2.67Å; L419-E421 VanDerWaalsContact C-N 3.34Å; E421-N428 HydrophobicContact CG-CB 4.11Å; E421-N428 WeakPolarHBondContact O-CB 3.47Å; E421-N428 PolarHBondContact O-ND2 3.25Å
422	V	91.3	Very high	86.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-40.7	-176.9	170.8	0	0	0	0	113.1	V363 L373 R418 L419 N428 Y434	V363-V422 HydrophobicContact CB-CG1 3.96Å; V363-V422 HydrophobicContact CB-CG2 3.87Å; V363-V422 HydrophobicContact CG1-CG1 4.25Å; V363-V422 HydrophobicContact CG2-CG1 4.37Å; V363-V422 HydrophobicContact CG2-CG2 3.87Å; L373-V422 HydrophobicContact CD1-CG1 4.44Å; R418-V422 VanDerWaalsContact O-CG2 3.29Å; R418-V422 WeakPolarHBondContact O-CG2 3.28Å; R418-V422 PolarHBondContact O-N 2.9Å; L419-V422 PolarHBondContact O-N 3.07Å; V422-N428 PolarHBondContact O-ND2 2.91Å; V422-Y434 HydrophobicContact CG1-CD2 3.81Å; V422-Y434 HydrophobicContact CG1-CE2 4.06Å
423	F	94.3	Very high	87.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-103.8	-26.1	-171.5	-70.9	-77.4	0	0	0	115.3	F350 I351 T354 L373 F377 L419 Y434 F435	F350-F423 AromaticContact CD1-CD1 3.98Å; F350-F423 HydrophobicContact CD1-CD1 3.98Å; F350-F423 HydrophobicContact CD1-CE1 4.07Å; F350-F423 AromaticContact CE1-CD1 3.88Å; F350-F423 HydrophobicContact CE1-CD1 3.88Å; F350-F423 AromaticContact CE1-CE1 3.96Å; F350-F423 HydrophobicContact CE1-CE1 3.96Å; I351-F423 HydrophobicContact CB-CZ 4.48Å; I351-F423 HydrophobicContact CD1-CD2 4.49Å; I351-F423 HydrophobicContact CG1-CD1 4.2Å; I351-F423 HydrophobicContact CG1-CD2 4.2Å; I351-F423 HydrophobicContact CG1-CE1 4.08Å; I351-F423 HydrophobicContact CG1-CE2 4.08Å; I351-F423 HydrophobicContact CG1-CG 4.26Å; I351-F423 HydrophobicContact CG1-CZ 4.02Å; I351-F423 HydrophobicContact CG2-CZ 4.38Å; T354-F423 HydrophobicContact CG2-CE1 4.09Å; T354-F423 HydrophobicContact CG2-CZ 4.5Å; L373-F423 HydrophobicContact CD1-CE2 4.19Å; L373-F423 HydrophobicContact CD1-CZ 4.02Å; F377-F423 HydrophobicContact CE2-CE2 4.47Å; L419-F423 HydrophobicContact CD2-CD2 4.25Å; L419-F423 HydrophobicContact CD2-CE2 4.01Å; L419-F423 WeakPolarHBondContact O-CB 3.41Å; L419-F423 WeakPolarHBondContact O-CD2 3.48Å; L419-F423 PolarHBondContact O-N 2.83Å; F423-Y434 HydrophobicContact CD1-CD2 4.41Å; F423-Y434 HydrophobicContact CD1-CG 4.36Å; F423-Y434 HydrophobicContact CE1-CD2 4.26Å; F423-Y434 HydrophobicContact CE1-CG 4.34Å; F423-F435 WeakPolarHBondContact O-CA 3.28Å; F423-F435 WeakPolarHBondContact O-CB 3.43Å
424	L	93.9	Very high	88.6	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-125.7	23.7	-165.8	-50.4	178.6	0	0	0	113.3	M342 L347 P413 R420 I438 L684	M342-L424 HydrophobicContact CE-CD2 3.56Å; L347-L424 HydrophobicContact CD1-CD2 4.17Å; P413-L424 HydrophobicContact CG-CD1 4.06Å; R420-L424 HydrophobicContact CG-CB 4.12Å; R420-L424 HydrophobicContact CG-CD1 4.35Å; R420-L424 CarbonylContact O-C 3.59Å; R420-L424 VanDerWaalsContact O-CA 3.28Å; R420-L424 WeakPolarHBondContact O-CA 3.3Å; R420-L424 WeakPolarHBondContact O-CB 3.34Å; R420-L424 PolarHBondContact O-N 3.21Å; L424-I438 HydrophobicContact CD2-CD1 4.4Å; L424-L684 HydrophobicContact CD1-CD2 4.46Å
425	K	92.5	Very high	89.7	Confident	54 Å²	54	39.4 Å²	39.4	24%	0.235	21%	0.206	C	C	.	.			trans	-128.3	149.9	173.8	-68.5	-63.7	-176.7	-172.6	0	112.4	G432 F435 Y461	K425-G432 VanDerWaalsContact O-CA 3.24Å; K425-G432 WeakPolarHBondContact O-CA 3.48Å; K425-F435 WeakPolarHBondContact O-CB 3.44Å; K425-Y461 PolarHBondContact NZ-OH 3.28Å
426	T	92.6	Very high	91	Very high	28 Å²	28	37.1 Å²	37.1	17%	0.172	18%	0.182	C	C	.	.	S	Bend	trans	-82.3	-40.3	174.7	50.6	0	0	0	0	111.6	N431 G432 F435 L458 L471 W474	T426-N431 CarbonylContact O-C 3.59Å; T426-N431 VanDerWaalsContact O-C 3.28Å; T426-G432 VanDerWaalsContact O-CA 3.27Å; T426-G432 WeakPolarHBondContact O-CA 3.45Å; T426-G432 PolarHBondContact O-N 2.81Å; T426-G432 VanDerWaalsContact O-N 3.13Å; T426-F435 HydrophobicContact CG2-CD1 3.7Å; T426-F435 HydrophobicContact CG2-CE1 3.71Å; T426-L458 HydrophobicContact CG2-CD2 4.19Å; T426-L471 HydrophobicContact CG2-CD1 3.69Å; T426-W474 HydrophobicContact CG2-CD2 3.64Å; T426-W474 HydrophobicContact CG2-CE3 3.79Å; T426-W474 HydrophobicContact CG2-CG 4.19Å; T426-W474 HydrophobicContact CG2-CH2 4.07Å; T426-W474 HydrophobicContact CG2-CZ2 3.95Å; T426-W474 HydrophobicContact CG2-CZ3 4Å
427	D	91.6	Very high	92	Very high	76 Å²	76	38.9 Å²	38.9	41%	0.406	19%	0.19	S	C	.	.	S	Bend	trans	-101.9	111.8	173.5	-173.2	30.5	0	0	0	109.3	K470	D427-K470 HydrophobicContact CB-CD 4.46Å; D427-K470 IonicContact OD1-NZ 3.37Å; D427-K470 PolarHBondContact OD1-NZ 3.18Å; D427-K470 IonicContact OD2-NZ 2.89Å; D427-K470 PolarHBondContact OD2-NZ 2.85Å
428	N	92.7	Very high	92.8	Very high	14 Å²	14	35.5 Å²	35.5	8%	0.075	17%	0.166	C	C	.	.	S	Bend	trans	-161	-179.8	175.4	69.7	19.5	0	0	0	109.6	E421 V422 L430 N431 G432	E421-N428 HydrophobicContact CG-CB 4.11Å; E421-N428 WeakPolarHBondContact O-CB 3.47Å; E421-N428 PolarHBondContact O-ND2 3.25Å; V422-N428 PolarHBondContact O-ND2 2.91Å; N428-L430 PolarHBondContact O-N 2.68Å; N428-L430 VanDerWaalsContact OD1-C 3.32Å; N428-L430 WeakPolarHBondContact OD1-CA 3.27Å; N428-L430 PolarHBondContact OD1-N 3.18Å; N428-N431 PolarHBondContact O-N 2.92Å; N428-N431 PolarHBondContact OD1-N 2.98Å; N428-N431 VanDerWaalsContact OD1-N 3.14Å; N428-G432 PolarHBondContact OD1-N 3.42Å
429	Y	92.3	Very high	93.5	Very high	96 Å²	96	33.2 Å²	33.2	38%	0.376	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.4	-179.6	-174.8	-93.4	0	0	0	115	V362 V363 V365 Q370	V362-Y429 HydrophobicContact CB-CE1 3.84Å; V362-Y429 HydrophobicContact CG1-CD1 4.18Å; V362-Y429 HydrophobicContact CG1-CE1 3.42Å; V362-Y429 VanDerWaalsContact CG1-CE1 3.42Å; V362-Y429 WeakPolarHBondContact O-CD1 3.3Å; V362-Y429 WeakPolarHBondContact O-CE1 3.34Å; V363-Y429 WeakPolarHBondContact O-CB 3.43Å; V365-Y429 HydrophobicContact CG2-CD2 3.75Å; V365-Y429 HydrophobicContact CG2-CE2 3.54Å; Q370-Y429 PolarHBondContact NE2-OH 2.97Å
430	L	92.6	Very high	94	Very high	34 Å²	34	36.8 Å²	36.8	18%	0.178	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18.1	177.3	-72.6	179	0	0	0	113.3	E361 V362 V363 N428 G432 K433 Y434	E361-L430 HydrophobicContact CG-CD1 4.43Å; E361-L430 HydrophobicContact CG-CD2 4.45Å; E361-L430 WeakPolarHBondContact OE1-CD1 3.1Å; V362-L430 WeakPolarHBondContact O-CD2 3.49Å; V363-L430 HydrophobicContact CB-CD1 4.39Å; V363-L430 HydrophobicContact CG1-CD1 3.9Å; N428-L430 PolarHBondContact O-N 2.68Å; N428-L430 VanDerWaalsContact OD1-C 3.32Å; N428-L430 WeakPolarHBondContact OD1-CA 3.27Å; N428-L430 PolarHBondContact OD1-N 3.18Å; L430-G432 PolarHBondContact O-N 3.11Å; L430-K433 HydrophobicContact CB-CB 4.25Å; L430-K433 WeakPolarHBondContact O-CB 3.43Å; L430-K433 PolarHBondContact O-N 2.87Å; L430-Y434 HydrophobicContact CD1-CD2 4.04Å; L430-Y434 HydrophobicContact CD1-CE2 3.43Å; L430-Y434 VanDerWaalsContact CD1-CE2 3.43Å
431	N	93.6	Very high	94.5	Very high	113 Å²	113	35.9 Å²	35.9	60%	0.604	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	45.9	-176.1	-54.8	-66.8	0	0	0	112.2	T426 N428 K433	T426-N431 CarbonylContact O-C 3.59Å; T426-N431 VanDerWaalsContact O-C 3.28Å; N428-N431 PolarHBondContact O-N 2.92Å; N428-N431 PolarHBondContact OD1-N 2.98Å; N428-N431 VanDerWaalsContact OD1-N 3.14Å; N431-K433 PolarHBondContact O-N 3.02Å; N431-K433 VanDerWaalsContact O-N 3.13Å
432	G	94.5	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	15.1	173.7	0	0	0	0	0	116.3	K425 T426 N428 L430 Y434 F435 A436 W474	K425-G432 VanDerWaalsContact O-CA 3.24Å; K425-G432 WeakPolarHBondContact O-CA 3.48Å; T426-G432 VanDerWaalsContact O-CA 3.27Å; T426-G432 WeakPolarHBondContact O-CA 3.45Å; T426-G432 PolarHBondContact O-N 2.81Å; T426-G432 VanDerWaalsContact O-N 3.13Å; N428-G432 PolarHBondContact OD1-N 3.42Å; L430-G432 PolarHBondContact O-N 3.11Å; G432-Y434 VanDerWaalsContact C-N 3.33Å; G432-Y434 PolarHBondContact O-N 2.87Å; G432-F435 PolarHBondContact O-N 3.17Å; G432-F435 VanDerWaalsContact O-N 3.07Å; G432-A436 PolarHBondContact O-N 3.03Å; G432-W474 PolarHBondContact O-NE1 2.81Å
433	K	96.1	Very high	95.1	Very high	58 Å²	58	33.2 Å²	33.2	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-45.1	-48.9	-179.9	173.1	-178.2	168.5	-173.3	0	114.2	E361 L430 N431 Q437	E361-K433 IonicContact OE1-NZ 2.92Å; E361-K433 PolarHBondContact OE1-NZ 2.88Å; E361-K433 IonicContact OE2-NZ 3.62Å; E361-K433 PolarHBondContact OE2-NZ 3.35Å; L430-K433 HydrophobicContact CB-CB 4.25Å; L430-K433 WeakPolarHBondContact O-CB 3.43Å; L430-K433 PolarHBondContact O-N 2.87Å; N431-K433 PolarHBondContact O-N 3.02Å; N431-K433 VanDerWaalsContact O-N 3.13Å; K433-Q437 WeakPolarHBondContact O-CG 3.43Å; K433-Q437 PolarHBondContact O-N 2.84Å; K433-Q437 VanDerWaalsContact O-N 3.14Å
434	Y	96.7	Very high	95.2	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-71.7	-37.2	-178.8	-66.2	-44.1	0	0	0	112.7	F350 T354 N358 V363 V422 F423 L430 G432 Q437 I438	F350-Y434 HydrophobicContact CE1-CD1 4.35Å; F350-Y434 HydrophobicContact CE1-CG 4.46Å; F350-Y434 HydrophobicContact CZ-CD1 4.37Å; T354-Y434 HydrophobicContact CG2-CD1 3.76Å; T354-Y434 HydrophobicContact CG2-CE1 3.26Å; T354-Y434 HydrophobicContact CG2-CE2 4.19Å; T354-Y434 HydrophobicContact CG2-CG 4.42Å; N358-Y434 WeakPolarHBondContact CB-OH 3.48Å; V363-Y434 HydrophobicContact CG1-CE2 4.02Å; V422-Y434 HydrophobicContact CG1-CD2 3.81Å; V422-Y434 HydrophobicContact CG1-CE2 4.06Å; F423-Y434 HydrophobicContact CD1-CD2 4.41Å; F423-Y434 HydrophobicContact CD1-CG 4.36Å; F423-Y434 HydrophobicContact CE1-CD2 4.26Å; F423-Y434 HydrophobicContact CE1-CG 4.34Å; L430-Y434 HydrophobicContact CD1-CD2 4.04Å; L430-Y434 HydrophobicContact CD1-CE2 3.43Å; L430-Y434 VanDerWaalsContact CD1-CE2 3.43Å; G432-Y434 VanDerWaalsContact C-N 3.33Å; G432-Y434 PolarHBondContact O-N 2.87Å; Y434-Q437 PolarHBondContact O-N 3.21Å; Y434-I438 WeakPolarHBondContact O-CG1 3.42Å; Y434-I438 PolarHBondContact O-N 3.48Å
435	F	97.4	Very high	95.3	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-42.9	175.7	-175.7	-127.9	0	0	0	111	A338 F423 K425 T426 G432 Q437 I438 I439 L458 W474	A338-F435 HydrophobicContact CB-CZ 3.99Å; A338-F435 WeakPolarHBondContact O-CE2 3.18Å; A338-F435 WeakPolarHBondContact O-CZ 3.42Å; F423-F435 WeakPolarHBondContact O-CA 3.28Å; F423-F435 WeakPolarHBondContact O-CB 3.43Å; K425-F435 WeakPolarHBondContact O-CB 3.44Å; T426-F435 HydrophobicContact CG2-CD1 3.7Å; T426-F435 HydrophobicContact CG2-CE1 3.71Å; G432-F435 PolarHBondContact O-N 3.17Å; G432-F435 VanDerWaalsContact O-N 3.07Å; F435-Q437 VanDerWaalsContact C-N 3.31Å; F435-Q437 PolarHBondContact O-N 3.2Å; F435-I438 WeakPolarHBondContact O-CB 3.07Å; F435-I438 PolarHBondContact O-N 2.82Å; F435-I438 VanDerWaalsContact O-N 3.15Å; F435-I439 HydrophobicContact CE1-CG1 4.43Å; F435-I439 HydrophobicContact CE2-CD1 3.98Å; F435-I439 HydrophobicContact CE2-CG1 4.19Å; F435-I439 HydrophobicContact CZ-CD1 3.95Å; F435-I439 HydrophobicContact CZ-CG1 4.14Å; F435-I439 WeakPolarHBondContact O-CG1 3.28Å; F435-I439 PolarHBondContact O-N 3.47Å; F435-L458 HydrophobicContact CE1-CD2 4.11Å; F435-W474 HydrophobicContact CD1-CH2 4.14Å; F435-W474 AromaticContact CD1-CZ2 3.46Å; F435-W474 HydrophobicContact CD1-CZ2 3.46Å; F435-W474 VanDerWaalsContact CD1-CZ2 3.46Å; F435-W474 HydrophobicContact CE1-CH2 4.02Å; F435-W474 AromaticContact CE1-CZ2 3.83Å; F435-W474 HydrophobicContact CE1-CZ2 3.83Å; F435-W474 HydrophobicContact CG-CZ2 4.34Å
436	A	97.4	Very high	95.4	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-41.4	172.5	0	0	0	0	0	112.7	G432 I439 K440 W474 N478 V480	G432-A436 PolarHBondContact O-N 3.03Å; A436-I439 PolarHBondContact O-N 2.76Å; A436-K440 WeakPolarHBondContact O-CG 3.14Å; A436-K440 PolarHBondContact O-N 2.86Å; A436-W474 HydrophobicContact CB-CZ2 4.12Å; A436-N478 HydrophobicContact CB-CB 3.48Å; A436-N478 VanDerWaalsContact CB-CB 3.48Å; A436-V480 HydrophobicContact CB-CG2 3.62Å
437	Q	97.3	Very high	95.5	Very high	78 Å²	78	42.1 Å²	42.1	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-65.9	-36.8	175.9	-72.3	175.5	2.2	0	0	113.1	F350 K433 Y434 F435 K440 E441	F350-Q437 HydrophobicContact CE2-CB 3.82Å; F350-Q437 HydrophobicContact CZ-CB 3.75Å; K433-Q437 WeakPolarHBondContact O-CG 3.43Å; K433-Q437 PolarHBondContact O-N 2.84Å; K433-Q437 VanDerWaalsContact O-N 3.14Å; Y434-Q437 PolarHBondContact O-N 3.21Å; F435-Q437 VanDerWaalsContact C-N 3.31Å; F435-Q437 PolarHBondContact O-N 3.2Å; Q437-K440 PolarHBondContact O-N 2.67Å; Q437-E441 PolarHBondContact O-N 3.42Å
438	I	97.4	Very high	95.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-48.4	173.3	-69.1	167	0	0	0	110.1	M342 L347 F350 L424 Y434 F435 K440 E441 V442	M342-I438 HydrophobicContact CE-CD1 4.47Å; M342-I438 HydrophobicContact CE-CG2 3.89Å; M342-I438 HydrophobicContact CG-CG2 3.92Å; M342-I438 HydrophobicContact SD-CG2 3.57Å; M342-I438 VanDerWaalsContact SD-CG2 3.57Å; L347-I438 HydrophobicContact CD1-CD1 4.16Å; F350-I438 HydrophobicContact CB-CG1 4.46Å; F350-I438 HydrophobicContact CD1-CD1 3.79Å; F350-I438 HydrophobicContact CD1-CG1 3.69Å; F350-I438 HydrophobicContact CD2-CG1 3.77Å; F350-I438 HydrophobicContact CE1-CD1 3.99Å; F350-I438 HydrophobicContact CE1-CG1 3.8Å; F350-I438 HydrophobicContact CE2-CG1 3.87Å; F350-I438 HydrophobicContact CG-CD1 4.19Å; F350-I438 HydrophobicContact CG-CG1 3.69Å; F350-I438 HydrophobicContact CZ-CG1 3.89Å; L424-I438 HydrophobicContact CD2-CD1 4.4Å; Y434-I438 WeakPolarHBondContact O-CG1 3.42Å; Y434-I438 PolarHBondContact O-N 3.48Å; F435-I438 WeakPolarHBondContact O-CB 3.07Å; F435-I438 PolarHBondContact O-N 2.82Å; F435-I438 VanDerWaalsContact O-N 3.15Å; I438-K440 VanDerWaalsContact C-N 3.26Å; I438-K440 PolarHBondContact O-N 2.97Å; I438-E441 PolarHBondContact O-N 3.04Å; I438-V442 PolarHBondContact O-N 3.11Å
439	I	97.8	Very high	95.4	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-38.6	175.6	-63	-57.6	0	0	0	111.3	A338 C341 F435 A436 V442 A443 L456 W474 V480 W487	A338-I439 HydrophobicContact CB-CD1 4.45Å; C341-I439 VanDerWaalsContact SG-CD1 3.57Å; F435-I439 HydrophobicContact CE1-CG1 4.43Å; F435-I439 HydrophobicContact CE2-CD1 3.98Å; F435-I439 HydrophobicContact CE2-CG1 4.19Å; F435-I439 HydrophobicContact CZ-CD1 3.95Å; F435-I439 HydrophobicContact CZ-CG1 4.14Å; F435-I439 WeakPolarHBondContact O-CG1 3.28Å; F435-I439 PolarHBondContact O-N 3.47Å; A436-I439 PolarHBondContact O-N 2.76Å; I439-V442 PolarHBondContact O-N 3.29Å; I439-A443 VanDerWaalsContact O-CB 3.31Å; I439-A443 WeakPolarHBondContact O-CB 3.46Å; I439-A443 PolarHBondContact O-N 3.28Å; I439-L456 HydrophobicContact CD1-CD1 4.25Å; I439-W474 HydrophobicContact CG1-CH2 4.4Å; I439-W474 HydrophobicContact CG1-CZ2 4.48Å; I439-V480 HydrophobicContact CB-CG1 4Å; I439-V480 HydrophobicContact CG2-CG1 3.44Å; I439-V480 VanDerWaalsContact CG2-CG1 3.44Å; I439-W487 HydrophobicContact CG2-CH2 3.95Å
440	K	97.4	Very high	95.2	Very high	76 Å²	76	46 Å²	46	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-35.3	174.7	-70.8	-160.6	-171.1	-158.6	0	113.8	A436 Q437 I438 F444 N478 D479	A436-K440 WeakPolarHBondContact O-CG 3.14Å; A436-K440 PolarHBondContact O-N 2.86Å; Q437-K440 PolarHBondContact O-N 2.67Å; I438-K440 VanDerWaalsContact C-N 3.26Å; I438-K440 PolarHBondContact O-N 2.97Å; K440-F444 WeakPolarHBondContact O-CB 3.43Å; K440-F444 PolarHBondContact O-N 3.42Å; K440-N478 WeakPolarHBondContact CE-O 3.23Å; K440-N478 PolarHBondContact NZ-O 3.2Å; K440-D479 WeakPolarHBondContact CE-O 3.41Å; K440-D479 PolarHBondContact NZ-O 3.26Å; K440-D479 IonicContact NZ-OD2 2.9Å; K440-D479 PolarHBondContact NZ-OD2 3.44Å
441	E	97.2	Very high	95.3	Very high	33 Å²	33	47.2 Å²	47.2	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-37.6	172.1	-71.4	-168.7	-175.4	0	0	111.6	H346 R349 K353 Q437 I438 D445	H346-E441 IonicContact CD2-OE2 3.83Å; H346-E441 IonicContact CE1-OE2 3.27Å; H346-E441 WeakPolarHBondContact NE2-CB 3.27Å; H346-E441 IonicContact NE2-OE2 3.38Å; H346-E441 PolarHBondContact NE2-OE2 2.79Å; R349-E441 IonicContact CZ-OE2 2.85Å; R349-E441 IonicContact NE-OE2 3.48Å; R349-E441 IonicContact NH2-OE2 2.74Å; R349-E441 PolarHBondContact NH2-OE2 2.78Å; K353-E441 IonicContact NZ-OE1 2.62Å; K353-E441 PolarHBondContact NZ-OE1 2.85Å; Q437-E441 PolarHBondContact O-N 3.42Å; I438-E441 PolarHBondContact O-N 3.04Å; E441-D445 PolarHBondContact O-N 2.83Å
442	V	96.7	Very high	95.4	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-42.5	175.2	176	0	0	0	0	112	M342 I438 I439 F444 D445 L446	M342-V442 HydrophobicContact CB-CG2 3.76Å; I438-V442 PolarHBondContact O-N 3.11Å; I439-V442 PolarHBondContact O-N 3.29Å; V442-F444 VanDerWaalsContact C-N 3.34Å; V442-F444 PolarHBondContact O-N 2.88Å; V442-D445 PolarHBondContact O-N 3.3Å; V442-L446 HydrophobicContact CG1-CD1 4.29Å; V442-L446 WeakPolarHBondContact O-CG 3.46Å; V442-L446 PolarHBondContact O-N 3.45Å
443	A	96.3	Very high	95.6	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-44.7	175.3	0	0	0	0	0	112	I439 D445 L446 E447 I485	I439-A443 VanDerWaalsContact O-CB 3.31Å; I439-A443 WeakPolarHBondContact O-CB 3.46Å; I439-A443 PolarHBondContact O-N 3.28Å; A443-D445 PolarHBondContact O-N 3.22Å; A443-L446 PolarHBondContact O-N 2.94Å; A443-E447 WeakPolarHBondContact O-CB 3.41Å; A443-E447 WeakPolarHBondContact O-CG 3.48Å; A443-E447 PolarHBondContact O-N 2.75Å; A443-I485 HydrophobicContact CB-CD1 3.8Å
444	F	96.3	Very high	95.7	Very high	130 Å²	130	39.9 Å²	39.9	57%	0.57	19%	0.188	S	C	*	.	H	α-helix	trans	-59.9	-44.5	175.3	179.3	-89.3	0	0	0	112	K440 V442 L446 E447 E448	K440-F444 WeakPolarHBondContact O-CB 3.43Å; K440-F444 PolarHBondContact O-N 3.42Å; V442-F444 VanDerWaalsContact C-N 3.34Å; V442-F444 PolarHBondContact O-N 2.88Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 2.99Å; F444-E447 PolarHBondContact O-N 3.19Å; F444-E448 WeakPolarHBondContact O-CB 3.26Å; F444-E448 PolarHBondContact O-N 3.1Å
445	D	94.8	Very high	95.7	Very high	31 Å²	31	39.8 Å²	39.8	17%	0.166	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-34.8	178.6	-76.1	-21.7	0	0	0	112.4	E441 V442 A443 S449 K690	E441-D445 PolarHBondContact O-N 2.83Å; V442-D445 PolarHBondContact O-N 3.3Å; A443-D445 PolarHBondContact O-N 3.22Å; D445-S449 WeakPolarHBondContact O-CB 3.29Å; D445-S449 PolarHBondContact O-N 3.14Å; D445-K690 WeakPolarHBondContact OD1-CE 3.49Å; D445-K690 IonicContact OD1-NZ 2.84Å; D445-K690 PolarHBondContact OD1-NZ 3.11Å; D445-K690 WeakPolarHBondContact OD2-CE 3.48Å; D445-K690 IonicContact OD2-NZ 2.7Å
446	L	94.9	Very high	95.8	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-38.5	172.6	-72	171	0	0	0	112.8	V442 A443 F444 K450 Q452 A454 N484 I485	V442-L446 HydrophobicContact CG1-CD1 4.29Å; V442-L446 WeakPolarHBondContact O-CG 3.46Å; V442-L446 PolarHBondContact O-N 3.45Å; A443-L446 PolarHBondContact O-N 2.94Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 2.99Å; L446-K450 PolarHBondContact O-N 2.79Å; L446-K450 VanDerWaalsContact O-N 3.1Å; L446-Q452 HydrophobicContact CD2-CB 3.88Å; L446-A454 HydrophobicContact CD1-CB 3.95Å; L446-N484 HydrophobicContact CB-CB 4.41Å; L446-N484 PolarHBondContact O-ND2 2.78Å; L446-I485 HydrophobicContact CD1-CD1 4.23Å; L446-I485 HydrophobicContact CD1-CG1 3.99Å
447	E	93.9	Very high	95.8	Very high	87 Å²	87	39.6 Å²	39.6	41%	0.407	19%	0.187	S	C	.	.	H	α-helix	trans	-71.1	-38	176.8	-74	176.2	-168.1	0	0	111.9	A443 F444 K450 S482	A443-E447 WeakPolarHBondContact O-CB 3.41Å; A443-E447 WeakPolarHBondContact O-CG 3.48Å; A443-E447 PolarHBondContact O-N 2.75Å; F444-E447 PolarHBondContact O-N 3.19Å; E447-K450 WeakPolarHBondContact O-CA 3.44Å; E447-K450 PolarHBondContact O-N 2.68Å; E447-S482 WeakPolarHBondContact OE1-CA 3.47Å; E447-S482 VanDerWaalsContact OE1-CB 3.27Å; E447-S482 WeakPolarHBondContact OE1-CB 3.46Å; E447-S482 PolarHBondContact OE1-OG 2.71Å
448	E	92.8	Very high	95.8	Very high	125 Å²	125	36.2 Å²	36.2	58%	0.584	17%	0.171	S	C	*	.	H	α-helix	trans	-60.3	-50.3	171.1	178.8	-179.8	-124.6	0	0	111.3	F444 K450 K690	F444-E448 WeakPolarHBondContact O-CB 3.26Å; F444-E448 PolarHBondContact O-N 3.1Å; E448-K450 PolarHBondContact O-N 2.85Å; E448-K690 IonicContact OE2-NZ 3.69Å; E448-K690 PolarHBondContact OE2-NZ 3.01Å
449	S	89.4	Confident	95.8	Very high	35 Å²	35	37.9 Å²	37.9	25%	0.245	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-15.2	178.3	-167.4	0	0	0	0	112.8	D445 Y451 Q452 E691	D445-S449 WeakPolarHBondContact O-CB 3.29Å; D445-S449 PolarHBondContact O-N 3.14Å; S449-Y451 PolarHBondContact O-N 3.14Å; S449-Q452 PolarHBondContact OG-NE2 2.77Å; S449-E691 PolarHBondContact OG-OE1 3.48Å
450	K	89.4	Confident	95.7	Very high	109 Å²	109	37.8 Å²	37.8	47%	0.474	18%	0.182	S	C	.	.	S	Bend	trans	64.5	-42.9	170.8	-179.3	-174.9	176	-163.6	0	116.5	R330 L446 E447 E448	R330-K450 PolarHBondContact NH1-O 2.74Å; R330-K450 PolarHBondContact NH2-O 3.38Å; L446-K450 PolarHBondContact O-N 2.79Å; L446-K450 VanDerWaalsContact O-N 3.1Å; E447-K450 WeakPolarHBondContact O-CA 3.44Å; E447-K450 PolarHBondContact O-N 2.68Å; E448-K450 PolarHBondContact O-N 2.85Å
451	Y	94.7	Very high	95.6	Very high	59 Å²	59	36.5 Å²	36.5	23%	0.231	18%	0.176	C	C	.	.	S	Bend	trans	-99	-15	-170.8	-61.7	-79.5	0	0	0	114	N328 K331 S449 N453	N328-Y451 HydrophobicContact CB-CD1 4.31Å; N328-Y451 HydrophobicContact CB-CD2 4.2Å; N328-Y451 HydrophobicContact CB-CE1 3.87Å; N328-Y451 HydrophobicContact CB-CE2 3.71Å; N328-Y451 HydrophobicContact CB-CG 4.47Å; N328-Y451 WeakPolarHBondContact O-CD1 3.48Å; N328-Y451 VanDerWaalsContact O-CE1 3.3Å; N328-Y451 WeakPolarHBondContact O-CE1 3.24Å; K331-Y451 PolarHBondContact N-O 3.36Å; K331-Y451 VanDerWaalsContact N-O 3.15Å; S449-Y451 PolarHBondContact O-N 3.14Å; Y451-N453 PolarHBondContact O-ND2 3.31Å
452	Q	95.5	Very high	95.5	Very high	12 Å²	12	35 Å²	35	6%	0.056	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.1	173.3	-71.1	172.5	82.6	0	0	111.1	K331 L446 S449 N484 E691	K331-Q452 HydrophobicContact CD-CG 4.09Å; K331-Q452 HydrophobicContact CG-CG 3.96Å; L446-Q452 HydrophobicContact CD2-CB 3.88Å; S449-Q452 PolarHBondContact OG-NE2 2.77Å; Q452-N484 PolarHBondContact O-ND2 2.86Å; Q452-E691 PolarHBondContact NE2-OE1 2.89Å
453	N	97.8	Very high	95.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.9	-174.7	-41.2	-96.1	0	0	0	107.3	R330 K331 V332 D333 Y451 N484 F724 W732	R330-N453 PolarHBondContact NH1-OD1 3.42Å; R330-N453 VanDerWaalsContact NH1-OD1 3.1Å; K331-N453 PolarHBondContact O-N 3.44Å; K331-N453 PolarHBondContact O-ND2 2.89Å; V332-N453 CarbonylContact C-O 3.56Å; V332-N453 WeakPolarHBondContact CA-O 3.47Å; V332-N453 HydrophobicContact CG2-CB 4.35Å; D333-N453 PolarHBondContact N-O 3.31Å; Y451-N453 PolarHBondContact O-ND2 3.31Å; N453-N484 CarbonylContact C-O 3.5Å; N453-N484 WeakPolarHBondContact CA-O 2.98Å; N453-N484 HydrophobicContact CB-CB 4.39Å; N453-N484 WeakPolarHBondContact CB-O 3.37Å; N453-F724 HydrophobicContact CB-CE2 4.25Å; N453-F724 HydrophobicContact CB-CZ 3.91Å; N453-W732 HydrophobicContact CB-CH2 4.02Å; N453-W732 HydrophobicContact CB-CZ3 4.46Å; N453-W732 WeakPolarHBondContact OD1-CH2 3.35Å; N453-W732 VanDerWaalsContact OD1-CZ2 3.31Å; N453-W732 WeakPolarHBondContact OD1-CZ2 3.19Å
454	A	98.1	Very high	95.2	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.6	-172.9	0	0	0	0	0	114.4	D333 I336 L446 L456 N484 I485 R486	D333-A454 HydrophobicContact CB-CB 4.39Å; I336-A454 HydrophobicContact CG2-CB 4.26Å; L446-A454 HydrophobicContact CD1-CB 3.95Å; A454-L456 HydrophobicContact CB-CD2 4.26Å; A454-L456 HydrophobicContact CB-CG 4.27Å; A454-N484 PolarHBondContact N-O 3.49Å; A454-I485 WeakPolarHBondContact O-CA 3.38Å; A454-R486 PolarHBondContact O-N 3.23Å
455	E	98.1	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	69.9	173.9	-59.9	-169.3	123.4	0	0	110.6	V332 D333 T334 R457 R486 L488 I539 R602 S722 G723 F724	V332-E455 HydrophobicContact CG1-CG 3.76Å; D333-E455 PolarHBondContact O-N 3Å; T334-E455 WeakPolarHBondContact CA-OE2 3.31Å; E455-R457 PolarHBondContact O-NH1 2.83Å; E455-R486 CarbonylContact C-O 3.28Å; E455-R486 WeakPolarHBondContact CA-O 3.2Å; E455-L488 HydrophobicContact CB-CD1 3.89Å; E455-I539 HydrophobicContact CG-CD1 4.25Å; E455-I539 WeakPolarHBondContact OE1-CD1 3.42Å; E455-R602 IonicContact OE1-NH1 2.91Å; E455-R602 PolarHBondContact OE1-NH1 3.29Å; E455-R602 IonicContact OE2-CZ 3.12Å; E455-R602 VanDerWaalsContact OE2-CZ 3.24Å; E455-R602 IonicContact OE2-NH1 3.74Å; E455-R602 PolarHBondContact OE2-NH1 2.87Å; E455-R602 IonicContact OE2-NH2 2.98Å; E455-R602 PolarHBondContact OE2-NH2 2.92Å; E455-S722 WeakPolarHBondContact OE1-CA 3.43Å; E455-S722 WeakPolarHBondContact OE1-CB 3.39Å; E455-G723 PolarHBondContact OE1-N 2.97Å; E455-F724 HydrophobicContact CG-CE2 4.36Å
456	L	98	Very high	95.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.6	-175	-65.4	-176.7	0	0	0	111.3	I336 A338 C341 I439 A454 I485 R486 W487 L488	I336-L456 HydrophobicContact CB-CD2 4.39Å; I336-L456 HydrophobicContact CD1-CD2 3.79Å; I336-L456 HydrophobicContact CG1-CD2 3.78Å; I336-L456 HydrophobicContact CG2-CD2 3.85Å; I336-L456 WeakPolarHBondContact O-CA 3.34Å; A338-L456 HydrophobicContact CB-CB 4.2Å; C341-L456 HydrophobicContact CB-CD2 3.59Å; I439-L456 HydrophobicContact CD1-CD1 4.25Å; A454-L456 HydrophobicContact CB-CD2 4.26Å; A454-L456 HydrophobicContact CB-CG 4.27Å; L456-I485 HydrophobicContact CB-CG2 4.37Å; L456-I485 HydrophobicContact CD1-CD1 3.99Å; L456-I485 HydrophobicContact CD1-CG1 4.46Å; L456-I485 HydrophobicContact CD1-CG2 3.84Å; L456-I485 HydrophobicContact CG-CG2 4.06Å; L456-R486 PolarHBondContact N-O 3.47Å; L456-W487 HydrophobicContact CB-CE3 3.64Å; L456-W487 HydrophobicContact CB-CH2 4.38Å; L456-W487 HydrophobicContact CB-CZ3 3.42Å; L456-W487 VanDerWaalsContact CB-CZ3 3.42Å; L456-W487 HydrophobicContact CD1-CH2 3.84Å; L456-W487 HydrophobicContact CD1-CZ3 3.67Å; L456-W487 HydrophobicContact CG-CZ3 4.18Å; L456-W487 WeakPolarHBondContact O-CA 3.43Å; L456-L488 PolarHBondContact O-N 2.77Å
457	R	98.3	Very high	95.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.9	177.3	-69.4	152.9	169.4	75.6	-19.4	112.3	T334 H335 I336 A338 E455 L488 Q490 D542 S625	T334-R457 PolarHBondContact O-NH1 2.88Å; T334-R457 PolarHBondContact O-NH2 3.22Å; T334-R457 VanDerWaalsContact O-NH2 3.08Å; H335-R457 VanDerWaalsContact CD2-CD 3.49Å; H335-R457 WeakPolarHBondContact CD2-CD 3.26Å; H335-R457 PolarHBondContact CD2-NE 3.33Å; H335-R457 PolarHBondContact CD2-NH2 3.21Å; I336-R457 PolarHBondContact O-N 2.82Å; A338-R457 WeakPolarHBondContact CB-O 3.44Å; A338-R457 PolarHBondContact N-O 2.78Å; E455-R457 PolarHBondContact O-NH1 2.83Å; R457-L488 WeakPolarHBondContact CA-O 3.27Å; R457-L488 HydrophobicContact CG-CB 3.71Å; R457-Q490 HydrophobicContact CB-CB 4.29Å; R457-Q490 HydrophobicContact CB-CG 4.32Å; R457-Q490 PolarHBondContact O-OE1 2.94Å; R457-D542 WeakPolarHBondContact CD-OD2 3.34Å; R457-D542 IonicContact CZ-OD2 2.73Å; R457-D542 IonicContact NE-OD2 3.62Å; R457-D542 PolarHBondContact NE-OD2 3.46Å; R457-D542 IonicContact NH2-OD2 3.24Å; R457-S625 PolarHBondContact NH2-OG 2.83Å; R457-S625 VanDerWaalsContact NH2-OG 3.14Å
458	L	97.6	Very high	95.4	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.1	174.8	-70.6	165.3	0	0	0	109.9	A338 T426 F435 L471 W474 W487 L488 I489 Q490 F534	A338-L458 HydrophobicContact CB-CD2 3.76Å; A338-L458 HydrophobicContact CB-CG 4.26Å; T426-L458 HydrophobicContact CG2-CD2 4.19Å; F435-L458 HydrophobicContact CE1-CD2 4.11Å; L458-L471 HydrophobicContact CB-CD1 4.48Å; L458-L471 HydrophobicContact CB-CD2 4.27Å; L458-L471 HydrophobicContact CD1-CD1 4.23Å; L458-L471 HydrophobicContact CD2-CD1 4.5Å; L458-W474 HydrophobicContact CD1-CZ3 4.02Å; L458-W474 HydrophobicContact CD2-CH2 4.17Å; L458-W474 HydrophobicContact CD2-CZ3 4.11Å; L458-W487 HydrophobicContact CD1-CD2 3.62Å; L458-W487 HydrophobicContact CD1-CE3 3.27Å; L458-W487 HydrophobicContact CD1-CG 4.21Å; L458-W487 HydrophobicContact CD1-CH2 4.22Å; L458-W487 HydrophobicContact CD1-CZ3 3.59Å; L458-W487 HydrophobicContact CD2-CE3 4.47Å; L458-W487 HydrophobicContact CD2-CZ3 4.11Å; L458-W487 HydrophobicContact CG-CD2 4.42Å; L458-W487 HydrophobicContact CG-CE3 3.59Å; L458-W487 HydrophobicContact CG-CZ3 3.72Å; L458-L488 PolarHBondContact N-O 3.16Å; L458-I489 HydrophobicContact CB-CD1 4.15Å; L458-I489 CarbonylContact O-C 3.48Å; L458-I489 WeakPolarHBondContact O-CA 3.21Å; L458-Q490 PolarHBondContact O-N 2.9Å; L458-F534 HydrophobicContact CD1-CE2 4.41Å; L458-F534 HydrophobicContact CD1-CZ 3.96Å
459	S	96.1	Very high	95.6	Very high	35 Å²	35	33.3 Å²	33.3	25%	0.245	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.9	-176.3	-47.7	0	0	0	0	113	Q490	S459-Q490 WeakPolarHBondContact CA-O 3.11Å
460	I	97.1	Very high	95.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.172	C	C	.	.			trans	-112.5	126.3	155	-67.2	-69.3	0	0	0	106.5	E467 W468 L471 I489 Q490 P492 I514	I460-E467 HydrophobicContact CD1-CB 3.82Å; I460-W468 HydrophobicContact CD1-CD2 4.15Å; I460-W468 HydrophobicContact CD1-CE3 4.46Å; I460-W468 HydrophobicContact CD1-CG 4.35Å; I460-W468 HydrophobicContact CG1-CD2 4.25Å; I460-W468 HydrophobicContact CG1-CE3 4.49Å; I460-W468 HydrophobicContact CG1-CZ2 4.22Å; I460-L471 HydrophobicContact CD1-CB 4.31Å; I460-L471 HydrophobicContact CD1-CD2 3.79Å; I460-L471 HydrophobicContact CG1-CD2 4.13Å; I460-I489 HydrophobicContact CB-CG2 3.83Å; I460-I489 HydrophobicContact CG1-CG2 3.58Å; I460-Q490 PolarHBondContact N-O 3.33Å; I460-P492 VanDerWaalsContact O-CD 3.24Å; I460-P492 WeakPolarHBondContact O-CD 3.44Å; I460-I514 HydrophobicContact CG2-CG1 4.41Å
461	Y	94.6	Very high	96.3	Very high	49 Å²	49	30.6 Å²	30.6	19%	0.192	15%	0.151	C	C	.	.			trans	-92.6	-21.8	-178.8	-63.1	-82	0	0	0	112.9	K425 K463 E467 P492 F498	K425-Y461 PolarHBondContact NZ-OH 3.28Å; Y461-K463 HydrophobicContact CG-CD 4.38Å; Y461-E467 WeakPolarHBondContact CA-OE2 3.41Å; Y461-E467 PolarHBondContact N-OE2 3.14Å; Y461-P492 HydrophobicContact CD1-CB 4.31Å; Y461-P492 HydrophobicContact CD1-CG 3.81Å; Y461-P492 HydrophobicContact CE1-CB 4.44Å; Y461-P492 HydrophobicContact CE1-CG 3.76Å; Y461-F498 HydrophobicContact CD1-CZ 4.29Å; Y461-F498 WeakPolarHBondContact O-CE2 3.29Å
462	G	94.7	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	70.8	30.4	-178	0	0	0	0	0	113.6	E467 M504 N513	G462-E467 PolarHBondContact N-OE1 2.92Å; G462-E467 PolarHBondContact N-OE2 2.69Å; G462-E467 VanDerWaalsContact N-OE2 3.16Å; G462-M504 WeakPolarHBondContact O-CE 3.27Å; G462-M504 VanDerWaalsContact O-SD 3.34Å; G462-N513 VanDerWaalsContact O-CB 3.31Å; G462-N513 WeakPolarHBondContact O-CB 3.4Å; G462-N513 PolarHBondContact O-ND2 3.22Å
463	K	92.8	Very high	96.5	Very high	77 Å²	77	30.8 Å²	30.8	34%	0.335	15%	0.152	S	C	.	.	S	Bend	trans	-87.5	-25.3	174.7	-57.9	156.4	175.7	166.9	0	112.7	Y461 E467 F498 M503 N513	Y461-K463 HydrophobicContact CG-CD 4.38Å; K463-E467 WeakPolarHBondContact CA-OE1 3.23Å; K463-E467 VanDerWaalsContact CB-OE1 3.28Å; K463-E467 WeakPolarHBondContact CB-OE1 3.33Å; K463-E467 PolarHBondContact N-OE1 2.99Å; K463-F498 HydrophobicContact CD-CE1 4.28Å; K463-F498 HydrophobicContact CD-CZ 4.35Å; K463-F498 HydrophobicContact CG-CD1 4.33Å; K463-F498 HydrophobicContact CG-CD2 4.22Å; K463-F498 HydrophobicContact CG-CE1 4.21Å; K463-F498 HydrophobicContact CG-CE2 4.05Å; K463-F498 HydrophobicContact CG-CG 4.37Å; K463-F498 HydrophobicContact CG-CZ 4.06Å; K463-M503 HydrophobicContact CB-CE 4.15Å; K463-M503 HydrophobicContact CD-CE 4.05Å; K463-M503 HydrophobicContact CG-CE 4.13Å; K463-N513 PolarHBondContact O-ND2 2.79Å
464	S	94.4	Very high	96.5	Very high	35 Å²	35	31 Å²	31	25%	0.245	15%	0.153	C	C	.	.			trans	-145.4	146.2	176.7	167.9	0	0	0	0	109.8	D466 E467 N513	S464-D466 PolarHBondContact O-N 3.08Å; S464-D466 WeakPolarHBondContact OG-CB 3.32Å; S464-D466 PolarHBondContact OG-N 2.75Å; S464-D466 PolarHBondContact OG-OD2 2.86Å; S464-D466 VanDerWaalsContact OG-OD2 3.08Å; S464-E467 PolarHBondContact N-OE1 2.94Å; S464-E467 WeakPolarHBondContact O-CG 3.32Å; S464-E467 PolarHBondContact O-N 2.8Å; S464-N513 PolarHBondContact N-ND2 3.42Å
465	P	93.7	Very high	96.4	Very high	66 Å²	66	30.9 Å²	30.9	43%	0.429	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.5	171.9	30.5	-36.1	0	0	0	112.4	E467 N513 P517	P465-E467 PolarHBondContact O-N 2.69Å; P465-N513 VanDerWaalsContact CD-OD1 3.29Å; P465-N513 WeakPolarHBondContact CD-OD1 3.45Å; P465-P517 HydrophobicContact CB-CG 3.98Å
466	D	95.6	Very high	96.3	Very high	92 Å²	92	32.3 Å²	32.3	49%	0.492	16%	0.159	S	C	.	.	H	α-helix	trans	-66.9	-17.7	179.6	-57.8	-45.9	0	0	0	113.2	S464 W468 Y469 K470	S464-D466 PolarHBondContact O-N 3.08Å; S464-D466 WeakPolarHBondContact OG-CB 3.32Å; S464-D466 PolarHBondContact OG-N 2.75Å; S464-D466 PolarHBondContact OG-OD2 2.86Å; S464-D466 VanDerWaalsContact OG-OD2 3.08Å; D466-W468 PolarHBondContact O-N 3.12Å; D466-Y469 PolarHBondContact O-N 2.98Å; D466-Y469 VanDerWaalsContact O-N 3.11Å; D466-K470 HydrophobicContact CB-CD 4.47Å; D466-K470 WeakPolarHBondContact O-CB 3.38Å; D466-K470 WeakPolarHBondContact O-CG 3.06Å; D466-K470 PolarHBondContact O-N 3.38Å
467	E	96.7	Very high	96.1	Very high	27 Å²	27	37.5 Å²	37.5	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-39.1	-176.4	-71.7	-177.5	-148.4	0	0	112.1	I460 Y461 G462 K463 S464 P465 L471	I460-E467 HydrophobicContact CD1-CB 3.82Å; Y461-E467 WeakPolarHBondContact CA-OE2 3.41Å; Y461-E467 PolarHBondContact N-OE2 3.14Å; G462-E467 PolarHBondContact N-OE1 2.92Å; G462-E467 PolarHBondContact N-OE2 2.69Å; G462-E467 VanDerWaalsContact N-OE2 3.16Å; K463-E467 WeakPolarHBondContact CA-OE1 3.23Å; K463-E467 VanDerWaalsContact CB-OE1 3.28Å; K463-E467 WeakPolarHBondContact CB-OE1 3.33Å; K463-E467 PolarHBondContact N-OE1 2.99Å; S464-E467 PolarHBondContact N-OE1 2.94Å; S464-E467 WeakPolarHBondContact O-CG 3.32Å; S464-E467 PolarHBondContact O-N 2.8Å; P465-E467 PolarHBondContact O-N 2.69Å; E467-L471 VanDerWaalsContact O-CB 3.25Å; E467-L471 WeakPolarHBondContact O-CB 3.16Å; E467-L471 PolarHBondContact O-N 2.91Å
468	W	97.6	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.4	-79.1	108.7	0	0	0	113.3	I460 D466 L471 A472 I489 I514 P517 L518 L531 L535 F541	I460-W468 HydrophobicContact CD1-CD2 4.15Å; I460-W468 HydrophobicContact CD1-CE3 4.46Å; I460-W468 HydrophobicContact CD1-CG 4.35Å; I460-W468 HydrophobicContact CG1-CD2 4.25Å; I460-W468 HydrophobicContact CG1-CE3 4.49Å; I460-W468 HydrophobicContact CG1-CZ2 4.22Å; D466-W468 PolarHBondContact O-N 3.12Å; W468-L471 PolarHBondContact O-N 2.82Å; W468-A472 VanDerWaalsContact O-CB 3.32Å; W468-A472 WeakPolarHBondContact O-CB 3.47Å; W468-A472 PolarHBondContact O-N 3.49Å; W468-I489 HydrophobicContact CH2-CB 4.15Å; W468-I489 HydrophobicContact CH2-CD1 4.36Å; W468-I489 HydrophobicContact CH2-CG1 3.71Å; W468-I489 HydrophobicContact CH2-CG2 3.85Å; W468-I489 HydrophobicContact CZ2-CG2 4.1Å; W468-I489 HydrophobicContact CZ3-CD1 4.2Å; W468-I489 HydrophobicContact CZ3-CG1 3.98Å; W468-I514 PolarHBondContact NE1-O 2.93Å; W468-P517 HydrophobicContact CB-CB 4.21Å; W468-P517 HydrophobicContact CG-CB 4.31Å; W468-L518 HydrophobicContact CD2-CD2 3.87Å; W468-L518 HydrophobicContact CE3-CD2 3.98Å; W468-L518 HydrophobicContact CH2-CD1 4.12Å; W468-L518 HydrophobicContact CH2-CD2 3.84Å; W468-L518 HydrophobicContact CH2-CG 4.48Å; W468-L518 HydrophobicContact CZ2-CD1 3.68Å; W468-L518 HydrophobicContact CZ2-CD2 3.79Å; W468-L518 HydrophobicContact CZ2-CG 4.02Å; W468-L518 HydrophobicContact CZ3-CD2 3.96Å; W468-L531 HydrophobicContact CB-CD1 4.1Å; W468-L531 HydrophobicContact CB-CD2 3.99Å; W468-L531 HydrophobicContact CD2-CD1 4.37Å; W468-L531 HydrophobicContact CE3-CD1 3.74Å; W468-L531 HydrophobicContact CZ3-CD1 4.5Å; W468-L535 HydrophobicContact CH2-CD2 4.4Å; W468-L535 HydrophobicContact CZ3-CD2 3.86Å; W468-F541 AromaticContact CH2-CE1 3.98Å; W468-F541 HydrophobicContact CH2-CE1 3.98Å; W468-F541 AromaticContact CZ2-CE1 3.98Å; W468-F541 HydrophobicContact CZ2-CE1 3.98Å
469	Y	96.6	Very high	95.9	Very high	88 Å²	88	42.5 Å²	42.5	35%	0.345	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-46.5	177.4	179	-104.1	0	0	0	110.6	D466 L471 A472 K473 E530	D466-Y469 PolarHBondContact O-N 2.98Å; D466-Y469 VanDerWaalsContact O-N 3.11Å; Y469-L471 PolarHBondContact O-N 2.91Å; Y469-A472 PolarHBondContact O-N 2.82Å; Y469-K473 HydrophobicContact CE1-CD 3.9Å; Y469-K473 WeakPolarHBondContact O-CB 3.36Å; Y469-K473 PolarHBondContact O-N 3.4Å; Y469-K473 PolarHBondContact OH-NZ 2.77Å; Y469-E530 VanDerWaalsContact CE2-CD 3.5Å; Y469-E530 HydrophobicContact CE2-CG 4.4Å; Y469-E530 VanDerWaalsContact CE2-OE1 3.31Å; Y469-E530 WeakPolarHBondContact CE2-OE1 3.26Å; Y469-E530 PolarHBondContact OH-OE1 3.18Å
470	K	96.8	Very high	95.8	Very high	84 Å²	84	41 Å²	41	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-45.1	175.4	-71.9	176.7	168.4	-145.9	0	112.4	D427 D466 W474	D427-K470 HydrophobicContact CB-CD 4.46Å; D427-K470 IonicContact OD1-NZ 3.37Å; D427-K470 PolarHBondContact OD1-NZ 3.18Å; D427-K470 IonicContact OD2-NZ 2.89Å; D427-K470 PolarHBondContact OD2-NZ 2.85Å; D466-K470 HydrophobicContact CB-CD 4.47Å; D466-K470 WeakPolarHBondContact O-CB 3.38Å; D466-K470 WeakPolarHBondContact O-CG 3.06Å; D466-K470 PolarHBondContact O-N 3.38Å; K470-W474 VanDerWaalsContact O-CB 3.3Å; K470-W474 WeakPolarHBondContact O-CB 3.46Å; K470-W474 PolarHBondContact O-N 3.26Å
471	L	97.6	Very high	95.7	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-45.3	-179.1	-174.6	64.2	0	0	0	112	T426 L458 I460 E467 W468 Y469 W474 A475 I489 F534	T426-L471 HydrophobicContact CG2-CD1 3.69Å; L458-L471 HydrophobicContact CB-CD1 4.48Å; L458-L471 HydrophobicContact CB-CD2 4.27Å; L458-L471 HydrophobicContact CD1-CD1 4.23Å; L458-L471 HydrophobicContact CD2-CD1 4.5Å; I460-L471 HydrophobicContact CD1-CB 4.31Å; I460-L471 HydrophobicContact CD1-CD2 3.79Å; I460-L471 HydrophobicContact CG1-CD2 4.13Å; E467-L471 VanDerWaalsContact O-CB 3.25Å; E467-L471 WeakPolarHBondContact O-CB 3.16Å; E467-L471 PolarHBondContact O-N 2.91Å; W468-L471 PolarHBondContact O-N 2.82Å; Y469-L471 PolarHBondContact O-N 2.91Å; L471-W474 HydrophobicContact CD1-CE3 3.96Å; L471-W474 HydrophobicContact CD1-CZ3 4.37Å; L471-W474 PolarHBondContact O-N 3.25Å; L471-A475 PolarHBondContact O-N 3.5Å; L471-I489 HydrophobicContact CD2-CD1 3.79Å; L471-F534 HydrophobicContact CD2-CE1 3.9Å; L471-F534 HydrophobicContact CD2-CZ 4.09Å; L471-F534 HydrophobicContact CG-CE1 4.05Å; L471-F534 HydrophobicContact CG-CZ 4.1Å
472	A	97.4	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-40.9	177	0	0	0	0	0	111.9	W468 Y469 A475 I476 E530 L531 F534	W468-A472 VanDerWaalsContact O-CB 3.32Å; W468-A472 WeakPolarHBondContact O-CB 3.47Å; W468-A472 PolarHBondContact O-N 3.49Å; Y469-A472 PolarHBondContact O-N 2.82Å; A472-A475 PolarHBondContact O-N 3.1Å; A472-I476 WeakPolarHBondContact O-CG1 3.28Å; A472-I476 PolarHBondContact O-N 3.33Å; A472-E530 HydrophobicContact CB-CB 4.22Å; A472-L531 HydrophobicContact CB-CB 4.23Å; A472-L531 HydrophobicContact CB-CD1 4.11Å; A472-F534 HydrophobicContact CB-CB 3.63Å; A472-F534 HydrophobicContact CB-CD1 4.11Å; A472-F534 HydrophobicContact CB-CG 4.04Å
473	K	96.8	Very high	95.5	Very high	74 Å²	74	44.5 Å²	44.5	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-45.1	174.4	-174.1	168.1	-162	147.3	0	112.4	Y469 A475 I476 D477	Y469-K473 HydrophobicContact CE1-CD 3.9Å; Y469-K473 WeakPolarHBondContact O-CB 3.36Å; Y469-K473 PolarHBondContact O-N 3.4Å; Y469-K473 PolarHBondContact OH-NZ 2.77Å; K473-A475 VanDerWaalsContact C-N 3.25Å; K473-A475 PolarHBondContact O-N 3.24Å; K473-I476 PolarHBondContact O-N 2.93Å; K473-I476 VanDerWaalsContact O-N 3.14Å; K473-D477 WeakPolarHBondContact CE-OD2 3.48Å; K473-D477 VanDerWaalsContact CG-OD2 3.23Å; K473-D477 WeakPolarHBondContact CG-OD2 3.42Å; K473-D477 WeakPolarHBondContact O-CB 3.47Å; K473-D477 PolarHBondContact O-N 2.94Å
474	W	97.4	Very high	95.6	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-53.2	-45.2	173	164.9	82.2	0	0	0	111.4	T426 G432 F435 A436 I439 L458 K470 L471 N478 V480	T426-W474 HydrophobicContact CG2-CD2 3.64Å; T426-W474 HydrophobicContact CG2-CE3 3.79Å; T426-W474 HydrophobicContact CG2-CG 4.19Å; T426-W474 HydrophobicContact CG2-CH2 4.07Å; T426-W474 HydrophobicContact CG2-CZ2 3.95Å; T426-W474 HydrophobicContact CG2-CZ3 4Å; G432-W474 PolarHBondContact O-NE1 2.81Å; F435-W474 HydrophobicContact CD1-CH2 4.14Å; F435-W474 AromaticContact CD1-CZ2 3.46Å; F435-W474 HydrophobicContact CD1-CZ2 3.46Å; F435-W474 VanDerWaalsContact CD1-CZ2 3.46Å; F435-W474 HydrophobicContact CE1-CH2 4.02Å; F435-W474 AromaticContact CE1-CZ2 3.83Å; F435-W474 HydrophobicContact CE1-CZ2 3.83Å; F435-W474 HydrophobicContact CG-CZ2 4.34Å; A436-W474 HydrophobicContact CB-CZ2 4.12Å; I439-W474 HydrophobicContact CG1-CH2 4.4Å; I439-W474 HydrophobicContact CG1-CZ2 4.48Å; L458-W474 HydrophobicContact CD1-CZ3 4.02Å; L458-W474 HydrophobicContact CD2-CH2 4.17Å; L458-W474 HydrophobicContact CD2-CZ3 4.11Å; K470-W474 VanDerWaalsContact O-CB 3.3Å; K470-W474 WeakPolarHBondContact O-CB 3.46Å; K470-W474 PolarHBondContact O-N 3.26Å; L471-W474 HydrophobicContact CD1-CE3 3.96Å; L471-W474 HydrophobicContact CD1-CZ3 4.37Å; L471-W474 PolarHBondContact O-N 3.25Å; W474-N478 WeakPolarHBondContact O-CB 3.44Å; W474-N478 PolarHBondContact O-N 3.44Å; W474-N478 PolarHBondContact O-ND2 2.71Å; W474-V480 HydrophobicContact CH2-CB 4.42Å; W474-V480 HydrophobicContact CH2-CG1 3.9Å; W474-V480 HydrophobicContact CH2-CG2 4.29Å; W474-V480 HydrophobicContact CZ2-CG1 4.36Å; W474-V480 HydrophobicContact CZ2-CG2 4.18Å; W474-V480 HydrophobicContact CZ3-CG1 4.38Å
475	A	96.4	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-37.6	179.2	0	0	0	0	0	112.7	W231 L471 A472 K473 D479 V480 F534	W231-A475 HydrophobicContact CH2-CB 4.19Å; W231-A475 WeakPolarHBondContact CZ2-O 3.43Å; L471-A475 PolarHBondContact O-N 3.5Å; A472-A475 PolarHBondContact O-N 3.1Å; K473-A475 VanDerWaalsContact C-N 3.25Å; K473-A475 PolarHBondContact O-N 3.24Å; A475-D479 CarbonylContact O-C 3.56Å; A475-D479 WeakPolarHBondContact O-CA 3.3Å; A475-D479 PolarHBondContact O-N 2.86Å; A475-D479 VanDerWaalsContact O-N 3.16Å; A475-V480 PolarHBondContact O-N 3.08Å; A475-F534 HydrophobicContact CB-CD2 3.57Å; A475-F534 HydrophobicContact CB-CE2 3.81Å
476	I	95.4	Very high	95.9	Very high	30 Å²	30	37.6 Å²	37.6	15%	0.154	19%	0.185	C	C	.	.	H	α-helix	trans	-87.5	-46.7	-174.8	-69.9	165.9	0	0	0	112.4	W231 A472 K473 N478 D479 E530 R533	W231-I476 HydrophobicContact CD2-CG1 3.83Å; W231-I476 HydrophobicContact CE3-CD1 4.22Å; W231-I476 HydrophobicContact CE3-CG1 3.65Å; W231-I476 HydrophobicContact CG-CG1 4.35Å; W231-I476 HydrophobicContact CH2-CG1 4.43Å; W231-I476 HydrophobicContact CZ3-CG1 3.97Å; A472-I476 WeakPolarHBondContact O-CG1 3.28Å; A472-I476 PolarHBondContact O-N 3.33Å; K473-I476 PolarHBondContact O-N 2.93Å; K473-I476 VanDerWaalsContact O-N 3.14Å; I476-N478 PolarHBondContact O-N 3.04Å; I476-D479 PolarHBondContact O-N 3.39Å; I476-E530 HydrophobicContact CD1-CB 3.94Å; I476-E530 HydrophobicContact CD1-CG 4.48Å; I476-E530 WeakPolarHBondContact CD1-O 3.37Å; I476-R533 HydrophobicContact CD1-CB 3.67Å
477	D	95.4	Very high	96	Very high	110 Å²	110	33.6 Å²	33.6	59%	0.588	16%	0.163	S	C	*	.	H	α-helix	trans	-63.2	-30.4	179.8	-74	2	0	0	0	111.8	K473	K473-D477 WeakPolarHBondContact CE-OD2 3.48Å; K473-D477 VanDerWaalsContact CG-OD2 3.23Å; K473-D477 WeakPolarHBondContact CG-OD2 3.42Å; K473-D477 WeakPolarHBondContact O-CB 3.47Å; K473-D477 PolarHBondContact O-N 2.94Å
478	N	95.5	Very high	96.1	Very high	42 Å²	42	32.3 Å²	32.3	23%	0.225	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-2.2	173.2	-59.9	-85.9	0	0	0	113.6	A436 K440 W474 I476 V480	A436-N478 HydrophobicContact CB-CB 3.48Å; A436-N478 VanDerWaalsContact CB-CB 3.48Å; K440-N478 WeakPolarHBondContact CE-O 3.23Å; K440-N478 PolarHBondContact NZ-O 3.2Å; W474-N478 WeakPolarHBondContact O-CB 3.44Å; W474-N478 PolarHBondContact O-N 3.44Å; W474-N478 PolarHBondContact O-ND2 2.71Å; I476-N478 PolarHBondContact O-N 3.04Å; N478-V480 HydrophobicContact CB-CG2 3.8Å
479	D	94.7	Very high	96.1	Very high	72 Å²	72	32.3 Å²	32.3	39%	0.385	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	49.6	-178.8	171.6	60.7	0	0	0	114	W231 K440 A475 I476 Y481	W231-D479 PolarHBondContact NE1-OD1 2.91Å; K440-D479 WeakPolarHBondContact CE-O 3.41Å; K440-D479 PolarHBondContact NZ-O 3.26Å; K440-D479 IonicContact NZ-OD2 2.9Å; K440-D479 PolarHBondContact NZ-OD2 3.44Å; A475-D479 CarbonylContact O-C 3.56Å; A475-D479 WeakPolarHBondContact O-CA 3.3Å; A475-D479 PolarHBondContact O-N 2.86Å; A475-D479 VanDerWaalsContact O-N 3.16Å; I476-D479 PolarHBondContact O-N 3.39Å; D479-Y481 VanDerWaalsContact C-N 3.3Å; D479-Y481 PolarHBondContact O-N 3.01Å
480	V	95.2	Very high	96.2	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.144	C	C	.	.			trans	-80.5	71.7	-175.8	-164.2	0	0	0	0	111.3	A436 I439 W474 A475 N478 W487	A436-V480 HydrophobicContact CB-CG2 3.62Å; I439-V480 HydrophobicContact CB-CG1 4Å; I439-V480 HydrophobicContact CG2-CG1 3.44Å; I439-V480 VanDerWaalsContact CG2-CG1 3.44Å; W474-V480 HydrophobicContact CH2-CB 4.42Å; W474-V480 HydrophobicContact CH2-CG1 3.9Å; W474-V480 HydrophobicContact CH2-CG2 4.29Å; W474-V480 HydrophobicContact CZ2-CG1 4.36Å; W474-V480 HydrophobicContact CZ2-CG2 4.18Å; W474-V480 HydrophobicContact CZ3-CG1 4.38Å; A475-V480 PolarHBondContact O-N 3.08Å; N478-V480 HydrophobicContact CB-CG2 3.8Å; V480-W487 HydrophobicContact CG1-CH2 4.4Å; V480-W487 HydrophobicContact CG1-CZ2 4.1Å
481	Y	93.9	Very high	96.2	Very high	68 Å²	68	25.1 Å²	25.1	27%	0.267	13%	0.127	S	C	.	.			trans	-121.7	151.3	-179.5	175.3	-99	0	0	0	112.7	P230 D479 Y537	P230-Y481 HydrophobicContact CB-CD1 3.67Å; P230-Y481 HydrophobicContact CB-CD2 3.6Å; P230-Y481 HydrophobicContact CB-CE1 3.79Å; P230-Y481 HydrophobicContact CB-CE2 3.73Å; P230-Y481 HydrophobicContact CB-CG 3.56Å; P230-Y481 HydrophobicContact CG-CD1 3.63Å; P230-Y481 HydrophobicContact CG-CD2 4.16Å; P230-Y481 HydrophobicContact CG-CE1 4.18Å; P230-Y481 HydrophobicContact CG-CG 3.61Å; D479-Y481 VanDerWaalsContact C-N 3.3Å; D479-Y481 PolarHBondContact O-N 3.01Å; Y481-Y537 HydrophobicContact CD2-CE1 4.21Å; Y481-Y537 HydrophobicContact CD2-CE2 4.11Å; Y481-Y537 AromaticContact CD2-CZ 3.93Å; Y481-Y537 HydrophobicContact CE2-CD1 4.22Å; Y481-Y537 AromaticContact CE2-CE1 3.59Å; Y481-Y537 HydrophobicContact CE2-CE1 3.59Å; Y481-Y537 HydrophobicContact CE2-CE2 4.23Å; Y481-Y537 AromaticContact CE2-CZ 3.57Å
482	S	94.1	Very high	96.1	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.021	13%	0.13	C	C	.	.			trans	-154.3	150.1	164.5	173	0	0	0	0	109.8	E447 N484	E447-S482 WeakPolarHBondContact OE1-CA 3.47Å; E447-S482 VanDerWaalsContact OE1-CB 3.27Å; E447-S482 WeakPolarHBondContact OE1-CB 3.46Å; E447-S482 PolarHBondContact OE1-OG 2.71Å; S482-N484 PolarHBondContact O-N 3.15Å; S482-N484 PolarHBondContact OG-N 2.83Å
483	S	91.9	Very high	96	Very high	54 Å²	54	26.2 Å²	26.2	38%	0.378	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.9	169.3	52.9	0	0	0	0	112.4	R486	S483-R486 PolarHBondContact O-NH1 2.78Å
484	N	95.6	Very high	95.8	Very high	13 Å²	13	24 Å²	24	7%	0.07	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	2.8	-169	-64.5	24.4	0	0	0	113.6	L446 Q452 N453 A454 S482	L446-N484 HydrophobicContact CB-CB 4.41Å; L446-N484 PolarHBondContact O-ND2 2.78Å; Q452-N484 PolarHBondContact O-ND2 2.86Å; N453-N484 CarbonylContact C-O 3.5Å; N453-N484 WeakPolarHBondContact CA-O 2.98Å; N453-N484 HydrophobicContact CB-CB 4.39Å; N453-N484 WeakPolarHBondContact CB-O 3.37Å; A454-N484 PolarHBondContact N-O 3.49Å; S482-N484 PolarHBondContact O-N 3.15Å; S482-N484 PolarHBondContact OG-N 2.83Å
485	I	97.1	Very high	95.6	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.1	-179.4	-64.3	174.1	0	0	0	110.5	A443 L446 A454 L456 W487	A443-I485 HydrophobicContact CB-CD1 3.8Å; L446-I485 HydrophobicContact CD1-CD1 4.23Å; L446-I485 HydrophobicContact CD1-CG1 3.99Å; A454-I485 WeakPolarHBondContact O-CA 3.38Å; L456-I485 HydrophobicContact CB-CG2 4.37Å; L456-I485 HydrophobicContact CD1-CD1 3.99Å; L456-I485 HydrophobicContact CD1-CG1 4.46Å; L456-I485 HydrophobicContact CD1-CG2 3.84Å; L456-I485 HydrophobicContact CG-CG2 4.06Å; I485-W487 HydrophobicContact CG2-CD2 4.35Å; I485-W487 HydrophobicContact CG2-CE3 4.48Å; I485-W487 HydrophobicContact CG2-CH2 4.19Å; I485-W487 HydrophobicContact CG2-CZ2 4.01Å; I485-W487 HydrophobicContact CG2-CZ3 4.42Å
486	R	97	Very high	95.3	Very high	15 Å²	15	25.7 Å²	25.7	6%	0.057	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.3	162.7	-67.7	-60.8	179.3	-73.7	-4.3	110.4	A454 E455 L456 S483 I539 F724	A454-R486 PolarHBondContact O-N 3.23Å; E455-R486 CarbonylContact C-O 3.28Å; E455-R486 WeakPolarHBondContact CA-O 3.2Å; L456-R486 PolarHBondContact N-O 3.47Å; S483-R486 PolarHBondContact O-NH1 2.78Å; R486-I539 HydrophobicContact CB-CD1 3.88Å; R486-I539 HydrophobicContact CB-CG1 4.17Å; R486-I539 HydrophobicContact CB-CG2 4.01Å; R486-I539 HydrophobicContact CG-CG2 4.17Å; R486-F724 HydrophobicContact CB-CE2 4.49Å; R486-F724 HydrophobicContact CB-CZ 4.47Å; R486-F724 HydrophobicContact CG-CD1 4.17Å; R486-F724 HydrophobicContact CG-CD2 4.36Å; R486-F724 HydrophobicContact CG-CE1 3.93Å; R486-F724 HydrophobicContact CG-CE2 4.12Å; R486-F724 HydrophobicContact CG-CG 4.38Å; R486-F724 HydrophobicContact CG-CZ 3.89Å
487	W	97.9	Very high	95.1	Very high	7 Å²	7	28 Å²	28	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.7	-172.2	-57.3	112.6	0	0	0	112.2	A338 I439 L456 L458 V480 I485 F534 Y537 V538 I539	A338-W487 HydrophobicContact CB-CZ3 4.28Å; I439-W487 HydrophobicContact CG2-CH2 3.95Å; L456-W487 HydrophobicContact CB-CE3 3.64Å; L456-W487 HydrophobicContact CB-CH2 4.38Å; L456-W487 HydrophobicContact CB-CZ3 3.42Å; L456-W487 VanDerWaalsContact CB-CZ3 3.42Å; L456-W487 HydrophobicContact CD1-CH2 3.84Å; L456-W487 HydrophobicContact CD1-CZ3 3.67Å; L456-W487 HydrophobicContact CG-CZ3 4.18Å; L456-W487 WeakPolarHBondContact O-CA 3.43Å; L458-W487 HydrophobicContact CD1-CD2 3.62Å; L458-W487 HydrophobicContact CD1-CE3 3.27Å; L458-W487 HydrophobicContact CD1-CG 4.21Å; L458-W487 HydrophobicContact CD1-CH2 4.22Å; L458-W487 HydrophobicContact CD1-CZ3 3.59Å; L458-W487 HydrophobicContact CD2-CE3 4.47Å; L458-W487 HydrophobicContact CD2-CZ3 4.11Å; L458-W487 HydrophobicContact CG-CD2 4.42Å; L458-W487 HydrophobicContact CG-CE3 3.59Å; L458-W487 HydrophobicContact CG-CZ3 3.72Å; V480-W487 HydrophobicContact CG1-CH2 4.4Å; V480-W487 HydrophobicContact CG1-CZ2 4.1Å; I485-W487 HydrophobicContact CG2-CD2 4.35Å; I485-W487 HydrophobicContact CG2-CE3 4.48Å; I485-W487 HydrophobicContact CG2-CH2 4.19Å; I485-W487 HydrophobicContact CG2-CZ2 4.01Å; I485-W487 HydrophobicContact CG2-CZ3 4.42Å; W487-F534 AromaticContact CD1-CE2 3.92Å; W487-F534 HydrophobicContact CG-CE2 4.36Å; W487-F534 HydrophobicContact CG-CZ 4.49Å; W487-Y537 PolarHBondContact N-O 3.23Å; W487-V538 HydrophobicContact CB-CG2 4.22Å; W487-V538 WeakPolarHBondContact O-CA 3.43Å; W487-I539 VanDerWaalsContact O-CG1 3.28Å; W487-I539 WeakPolarHBondContact O-CG1 3.16Å; W487-I539 PolarHBondContact O-N 3.03Å
488	L	98.1	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.5	157	-83.4	84.1	0	0	0	109.3	E455 L456 R457 L458 I539 G540 D542 R602	E455-L488 HydrophobicContact CB-CD1 3.89Å; L456-L488 PolarHBondContact O-N 2.77Å; R457-L488 WeakPolarHBondContact CA-O 3.27Å; R457-L488 HydrophobicContact CG-CB 3.71Å; L458-L488 PolarHBondContact N-O 3.16Å; L488-I539 HydrophobicContact CD1-CD1 3.56Å; L488-I539 HydrophobicContact CD1-CG1 3.72Å; L488-I539 HydrophobicContact CG-CG1 4.3Å; L488-G540 WeakPolarHBondContact CA-O 3.47Å; L488-D542 HydrophobicContact CD2-CB 4.34Å; L488-R602 HydrophobicContact CD2-CB 3.89Å
489	I	98.4	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	106.9	174.7	-60.4	-63.6	0	0	0	108.6	L458 I460 W468 L471 F534 V538 G540 F541 D542	L458-I489 HydrophobicContact CB-CD1 4.15Å; L458-I489 CarbonylContact O-C 3.48Å; L458-I489 WeakPolarHBondContact O-CA 3.21Å; I460-I489 HydrophobicContact CB-CG2 3.83Å; I460-I489 HydrophobicContact CG1-CG2 3.58Å; W468-I489 HydrophobicContact CH2-CB 4.15Å; W468-I489 HydrophobicContact CH2-CD1 4.36Å; W468-I489 HydrophobicContact CH2-CG1 3.71Å; W468-I489 HydrophobicContact CH2-CG2 3.85Å; W468-I489 HydrophobicContact CZ2-CG2 4.1Å; W468-I489 HydrophobicContact CZ3-CD1 4.2Å; W468-I489 HydrophobicContact CZ3-CG1 3.98Å; L471-I489 HydrophobicContact CD2-CD1 3.79Å; I489-F534 HydrophobicContact CD1-CE1 4.24Å; I489-F534 HydrophobicContact CD1-CZ 4.42Å; I489-V538 HydrophobicContact CD1-CG2 4.34Å; I489-V538 HydrophobicContact CG1-CG1 3.76Å; I489-V538 HydrophobicContact CG1-CG2 4.22Å; I489-G540 PolarHBondContact N-O 3.28Å; I489-F541 HydrophobicContact CB-CD1 4.09Å; I489-F541 HydrophobicContact CB-CE1 4.32Å; I489-F541 HydrophobicContact CG2-CD1 4.34Å; I489-F541 HydrophobicContact CG2-CE1 4.46Å; I489-F541 WeakPolarHBondContact O-CA 3.23Å; I489-D542 PolarHBondContact O-N 3.06Å
490	Q	97.1	Very high	94.5	Very high	19 Å²	19	22.8 Å²	22.8	9%	0.089	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.9	177.6	69.2	-176.1	85.7	0	0	110.7	H337 R457 L458 S459 I460 D542 V544	H337-Q490 PolarHBondContact ND1-OE1 3.33Å; R457-Q490 HydrophobicContact CB-CB 4.29Å; R457-Q490 HydrophobicContact CB-CG 4.32Å; R457-Q490 PolarHBondContact O-OE1 2.94Å; L458-Q490 PolarHBondContact O-N 2.9Å; S459-Q490 WeakPolarHBondContact CA-O 3.11Å; I460-Q490 PolarHBondContact N-O 3.33Å; Q490-D542 CarbonylContact C-O 3.47Å; Q490-D542 WeakPolarHBondContact CA-O 3.44Å; Q490-D542 HydrophobicContact CB-CB 4.18Å; Q490-V544 HydrophobicContact CB-CG1 3.82Å; Q490-V544 HydrophobicContact CB-CG2 4.16Å; Q490-V544 HydrophobicContact CG-CG2 4.34Å
491	I	97.7	Very high	94.3	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	104.5	-175.7	-56.3	-173.9	0	0	0	108.6	I514 F541 D542 V544 M580	I491-I514 HydrophobicContact CD1-CD1 4.11Å; I491-I514 HydrophobicContact CD1-CG1 4.38Å; I491-I514 HydrophobicContact CD1-CG2 3.66Å; I491-I514 HydrophobicContact CG2-CD1 3.65Å; I491-F541 HydrophobicContact CD1-CD1 4.11Å; I491-D542 PolarHBondContact N-O 2.89Å; I491-V544 PolarHBondContact O-N 3.03Å; I491-V544 VanDerWaalsContact O-N 3.1Å; I491-M580 HydrophobicContact CB-CE 4.4Å; I491-M580 HydrophobicContact CB-SD 4.34Å; I491-M580 HydrophobicContact CD1-CE 3.94Å; I491-M580 HydrophobicContact CD1-SD 4.29Å; I491-M580 HydrophobicContact CG1-CE 4.39Å
492	P	95.6	Very high	94.2	Very high	13 Å²	13	33.8 Å²	33.8	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.5	-179.1	-24.4	37.6	0	0	0	113.4	I460 Y461 L494 V544	I460-P492 VanDerWaalsContact O-CD 3.24Å; I460-P492 WeakPolarHBondContact O-CD 3.44Å; Y461-P492 HydrophobicContact CD1-CB 4.31Å; Y461-P492 HydrophobicContact CD1-CG 3.81Å; Y461-P492 HydrophobicContact CE1-CB 4.44Å; Y461-P492 HydrophobicContact CE1-CG 3.76Å; P492-L494 HydrophobicContact CB-CD1 3.63Å; P492-L494 HydrophobicContact CB-CG 3.73Å; P492-L494 PolarHBondContact O-N 2.8Å; P492-V544 CarbonylContact C-O 3.57Å; P492-V544 VanDerWaalsContact CA-O 3.23Å; P492-V544 WeakPolarHBondContact CA-O 3.43Å; P492-V544 HydrophobicContact CB-CG2 4.12Å; P492-V544 HydrophobicContact CG-CG2 3.87Å
493	R	94.5	Very high	93.9	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	20%	0.199	C	C	.	.			trans	-75.3	61.2	-179.4	-62	180	-75.9	-99.1	5.5	112.8	S543 V544 D545 N570 Y576	R493-S543 WeakPolarHBondContact CG-OG 3.26Å; R493-S543 PolarHBondContact NH1-O 3.44Å; R493-S543 PolarHBondContact NH1-OG 3.11Å; R493-V544 PolarHBondContact N-O 3.35Å; R493-D545 HydrophobicContact CB-CB 4.01Å; R493-D545 PolarHBondContact NH2-O 3.07Å; R493-N570 PolarHBondContact O-ND2 3.24Å; R493-Y576 VanDerWaalsContact C-OH 3.25Å; R493-Y576 HydrophobicContact CB-CD1 4.42Å; R493-Y576 HydrophobicContact CB-CD2 4.31Å; R493-Y576 HydrophobicContact CB-CE1 4.04Å; R493-Y576 HydrophobicContact CB-CE2 3.92Å; R493-Y576 HydrophobicContact CG-CD1 3.92Å; R493-Y576 HydrophobicContact CG-CD2 4.06Å; R493-Y576 HydrophobicContact CG-CE1 4.05Å; R493-Y576 HydrophobicContact CG-CE2 4.17Å; R493-Y576 HydrophobicContact CG-CG 3.92Å
494	L	93.1	Very high	93.8	Very high	29 Å²	29	36.3 Å²	36.3	15%	0.152	18%	0.183	C	C	.	.			trans	-118.5	31.2	-167.4	-54.6	178.8	0	0	0	114.1	P492 D496 I497 F498 D545 Y576	P492-L494 HydrophobicContact CB-CD1 3.63Å; P492-L494 HydrophobicContact CB-CG 3.73Å; P492-L494 PolarHBondContact O-N 2.8Å; L494-D496 VanDerWaalsContact C-N 3.31Å; L494-D496 VanDerWaalsContact C-OD1 3.28Å; L494-D496 WeakPolarHBondContact CA-OD1 3.24Å; L494-D496 PolarHBondContact O-N 3.35Å; L494-I497 HydrophobicContact CB-CB 4.46Å; L494-I497 HydrophobicContact CB-CD1 4.41Å; L494-I497 HydrophobicContact CD2-CD1 3.98Å; L494-I497 PolarHBondContact O-N 2.78Å; L494-F498 HydrophobicContact CB-CE1 4.02Å; L494-F498 HydrophobicContact CB-CE2 4.13Å; L494-F498 HydrophobicContact CB-CZ 3.69Å; L494-F498 HydrophobicContact CD1-CZ 4.4Å; L494-F498 WeakPolarHBondContact O-CD2 3.43Å; L494-F498 WeakPolarHBondContact O-CG 3.5Å; L494-F498 PolarHBondContact O-N 2.68Å; L494-D545 HydrophobicContact CD2-CB 4.39Å; L494-Y576 PolarHBondContact N-OH 2.66Å
495	F	93	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-42.9	179.2	171.5	-98.2	0	0	0	112.3	I497 F498 K499 F507 I510 W565 Y567 N570 P571 Y576	F495-I497 VanDerWaalsContact C-N 3.34Å; F495-I497 PolarHBondContact O-N 3.2Å; F495-F498 PolarHBondContact O-N 3.07Å; F495-F498 VanDerWaalsContact O-N 3.13Å; F495-K499 HydrophobicContact CD1-CB 4.37Å; F495-K499 HydrophobicContact CE1-CB 4.06Å; F495-K499 HydrophobicContact CE1-CD 4.47Å; F495-K499 HydrophobicContact CE1-CG 4.1Å; F495-K499 HydrophobicContact CZ-CB 4.14Å; F495-K499 HydrophobicContact CZ-CD 4.06Å; F495-K499 HydrophobicContact CZ-CG 4.15Å; F495-K499 WeakPolarHBondContact O-CB 3.43Å; F495-K499 PolarHBondContact O-N 2.97Å; F495-F507 HydrophobicContact CB-CD2 4.12Å; F495-F507 HydrophobicContact CB-CE2 4.34Å; F495-F507 HydrophobicContact CD2-CB 4.48Å; F495-F507 AromaticContact CD2-CD2 3.89Å; F495-F507 HydrophobicContact CD2-CD2 3.89Å; F495-F507 HydrophobicContact CE2-CB 4.33Å; F495-F507 HydrophobicContact CG-CD2 4.01Å; F495-I510 HydrophobicContact CB-CD1 3.75Å; F495-I510 HydrophobicContact CD2-CD1 3.67Å; F495-I510 HydrophobicContact CD2-CG1 4.39Å; F495-I510 HydrophobicContact CG-CD1 4.2Å; F495-W565 AromaticContact CE1-CD1 3.5Å; F495-W565 AromaticContact CE1-NE1 3.64Å; F495-W565 AromaticContact CZ-CD1 3.9Å; F495-Y567 WeakPolarHBondContact CE1-O 3.49Å; F495-N570 PolarHBondContact N-OD1 3.11Å; F495-P571 HydrophobicContact CD1-CG 4.47Å; F495-Y576 VanDerWaalsContact CB-OH 3.29Å; F495-Y576 WeakPolarHBondContact CB-OH 3.47Å; F495-Y576 PolarHBondContact N-OH 2.79Å; F495-Y576 VanDerWaalsContact N-OH 3.15Å
496	D	90.8	Very high	93.6	Very high	41 Å²	41	43 Å²	43	22%	0.219	21%	0.213	C	C	.	.	H	α-helix	trans	-49.1	-51.8	173.5	60.2	-29.1	0	0	0	112	L494 F498 K499 S500 N570	L494-D496 VanDerWaalsContact C-N 3.31Å; L494-D496 VanDerWaalsContact C-OD1 3.28Å; L494-D496 WeakPolarHBondContact CA-OD1 3.24Å; L494-D496 PolarHBondContact O-N 3.35Å; D496-F498 VanDerWaalsContact C-N 3.35Å; D496-F498 PolarHBondContact O-N 2.93Å; D496-K499 PolarHBondContact O-N 3.19Å; D496-S500 PolarHBondContact O-N 3.11Å; D496-S500 PolarHBondContact O-OG 3.3Å; D496-N570 HydrophobicContact CB-CB 3.94Å
497	I	90.3	Very high	93.6	Very high	77 Å²	77	42.4 Å²	42.4	40%	0.395	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-42.8	179.6	-58.5	-175.3	0	0	0	110.7	L494 F495 K499 N501	L494-I497 HydrophobicContact CB-CB 4.46Å; L494-I497 HydrophobicContact CB-CD1 4.41Å; L494-I497 HydrophobicContact CD2-CD1 3.98Å; L494-I497 PolarHBondContact O-N 2.78Å; F495-I497 VanDerWaalsContact C-N 3.34Å; F495-I497 PolarHBondContact O-N 3.2Å; I497-K499 VanDerWaalsContact C-N 3.33Å; I497-N501 WeakPolarHBondContact O-CB 3.31Å; I497-N501 PolarHBondContact O-N 3.18Å; I497-N501 VanDerWaalsContact O-N 3.16Å; I497-N501 PolarHBondContact O-ND2 2.89Å
498	F	91.7	Very high	93.5	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-71	-32.8	-179.2	-52.8	-23.5	0	0	0	111.9	Y461 K463 L494 F495 D496 K502 M503 M504 I510	Y461-F498 HydrophobicContact CD1-CZ 4.29Å; Y461-F498 WeakPolarHBondContact O-CE2 3.29Å; K463-F498 HydrophobicContact CD-CE1 4.28Å; K463-F498 HydrophobicContact CD-CZ 4.35Å; K463-F498 HydrophobicContact CG-CD1 4.33Å; K463-F498 HydrophobicContact CG-CD2 4.22Å; K463-F498 HydrophobicContact CG-CE1 4.21Å; K463-F498 HydrophobicContact CG-CE2 4.05Å; K463-F498 HydrophobicContact CG-CG 4.37Å; K463-F498 HydrophobicContact CG-CZ 4.06Å; L494-F498 HydrophobicContact CB-CE1 4.02Å; L494-F498 HydrophobicContact CB-CE2 4.13Å; L494-F498 HydrophobicContact CB-CZ 3.69Å; L494-F498 HydrophobicContact CD1-CZ 4.4Å; L494-F498 WeakPolarHBondContact O-CD2 3.43Å; L494-F498 WeakPolarHBondContact O-CG 3.5Å; L494-F498 PolarHBondContact O-N 2.68Å; F495-F498 PolarHBondContact O-N 3.07Å; F495-F498 VanDerWaalsContact O-N 3.13Å; D496-F498 VanDerWaalsContact C-N 3.35Å; D496-F498 PolarHBondContact O-N 2.93Å; F498-K502 PolarHBondContact O-N 2.91Å; F498-M503 HydrophobicContact CB-CB 4.34Å; F498-M503 HydrophobicContact CD1-SD 4.37Å; F498-M503 WeakPolarHBondContact O-CB 3.38Å; F498-M503 PolarHBondContact O-N 3.23Å; F498-M504 HydrophobicContact CB-CE 3.69Å; F498-M504 HydrophobicContact CD2-CE 3.44Å; F498-M504 VanDerWaalsContact CD2-CE 3.44Å; F498-M504 HydrophobicContact CE2-CE 4.4Å; F498-M504 HydrophobicContact CG-CE 3.88Å; F498-I510 HydrophobicContact CD2-CD1 4.01Å; F498-I510 HydrophobicContact CE2-CD1 4.46Å
499	K	91.1	Very high	93.5	Very high	36 Å²	36	45 Å²	45	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-49.5	178	179.2	62	170.9	-175.2	0	112.2	F495 D496 I497 N501 K502 K505 T566 Y567	F495-K499 HydrophobicContact CD1-CB 4.37Å; F495-K499 HydrophobicContact CE1-CB 4.06Å; F495-K499 HydrophobicContact CE1-CD 4.47Å; F495-K499 HydrophobicContact CE1-CG 4.1Å; F495-K499 HydrophobicContact CZ-CB 4.14Å; F495-K499 HydrophobicContact CZ-CD 4.06Å; F495-K499 HydrophobicContact CZ-CG 4.15Å; F495-K499 WeakPolarHBondContact O-CB 3.43Å; F495-K499 PolarHBondContact O-N 2.97Å; D496-K499 PolarHBondContact O-N 3.19Å; I497-K499 VanDerWaalsContact C-N 3.33Å; K499-N501 VanDerWaalsContact C-N 3.28Å; K499-N501 PolarHBondContact O-N 2.73Å; K499-K502 WeakPolarHBondContact O-CA 3.36Å; K499-K502 PolarHBondContact O-N 3.1Å; K499-K505 PolarHBondContact NZ-O 3.18Å; K499-T566 WeakPolarHBondContact CE-O 3.22Å; K499-T566 PolarHBondContact NZ-O 2.95Å; K499-Y567 VanDerWaalsContact CE-O 3.23Å; K499-Y567 WeakPolarHBondContact CE-O 3.44Å; K499-Y567 WeakPolarHBondContact CG-O 3.45Å
500	S	91.1	Very high	93.4	Very high	72 Å²	72	45.2 Å²	45.2	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-36	174.8	-57.7	0	0	0	0	112.2	D496 K502	D496-S500 PolarHBondContact O-N 3.11Å; D496-S500 PolarHBondContact O-OG 3.3Å; S500-K502 PolarHBondContact O-N 2.95Å
501	N	90.6	Very high	93.4	Very high	112 Å²	112	44.4 Å²	44.4	60%	0.599	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.3	172.8	-73.1	-63.6	0	0	0	113.9	I497 K499 M503	I497-N501 WeakPolarHBondContact O-CB 3.31Å; I497-N501 PolarHBondContact O-N 3.18Å; I497-N501 VanDerWaalsContact O-N 3.16Å; I497-N501 PolarHBondContact O-ND2 2.89Å; K499-N501 VanDerWaalsContact C-N 3.28Å; K499-N501 PolarHBondContact O-N 2.73Å; N501-M503 HydrophobicContact CB-CG 3.99Å; N501-M503 HydrophobicContact CB-SD 4.38Å; N501-M503 PolarHBondContact O-N 3.22Å
502	K	91.4	Very high	93.4	Very high	189 Å²	189	46.4 Å²	46.4	82%	0.822	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	27	178.3	-54.2	177.8	-176.1	176.5	0	114	F498 K499 S500	F498-K502 PolarHBondContact O-N 2.91Å; K499-K502 WeakPolarHBondContact O-CA 3.36Å; K499-K502 PolarHBondContact O-N 3.1Å; S500-K502 PolarHBondContact O-N 2.95Å
503	M	88.3	Confident	93.5	Very high	102 Å²	102	46.8 Å²	46.8	50%	0.502	23%	0.233	S	C	.	.	S	Bend	trans	-75.7	-34	177.2	-59.2	-175.6	68.2	0	0	111.8	K463 F498 N501	K463-M503 HydrophobicContact CB-CE 4.15Å; K463-M503 HydrophobicContact CD-CE 4.05Å; K463-M503 HydrophobicContact CG-CE 4.13Å; F498-M503 HydrophobicContact CB-CB 4.34Å; F498-M503 HydrophobicContact CD1-SD 4.37Å; F498-M503 WeakPolarHBondContact O-CB 3.38Å; F498-M503 PolarHBondContact O-N 3.23Å; N501-M503 HydrophobicContact CB-CG 3.99Å; N501-M503 HydrophobicContact CB-SD 4.38Å; N501-M503 PolarHBondContact O-N 3.22Å
504	M	89.9	Confident	93.6	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.044	23%	0.231	C	C	.	.			trans	-138.8	155.9	178.8	-76.6	177.6	-72	0	0	111.8	G462 F498 E509 I510	G462-M504 WeakPolarHBondContact O-CE 3.27Å; G462-M504 VanDerWaalsContact O-SD 3.34Å; F498-M504 HydrophobicContact CB-CE 3.69Å; F498-M504 HydrophobicContact CD2-CE 3.44Å; F498-M504 VanDerWaalsContact CD2-CE 3.44Å; F498-M504 HydrophobicContact CE2-CE 4.4Å; F498-M504 HydrophobicContact CG-CE 3.88Å; M504-E509 WeakPolarHBondContact CA-OE2 3.5Å; M504-E509 HydrophobicContact CB-CB 4.2Å; M504-E509 WeakPolarHBondContact CB-OE2 3.15Å; M504-E509 HydrophobicContact CG-CB 3.89Å; M504-E509 HydrophobicContact SD-CB 3.87Å; M504-I510 HydrophobicContact CE-CD1 4.03Å; M504-I510 HydrophobicContact CE-CG1 3.44Å; M504-I510 VanDerWaalsContact CE-CG1 3.44Å; M504-I510 HydrophobicContact SD-CG1 3.64Å
505	K	92.4	Very high	93.9	Very high	145 Å²	145	44.9 Å²	44.9	63%	0.63	22%	0.224	S	C	*	.	S	Bend	trans	-97.9	-44.3	-173.7	-58.7	173.4	-162.1	138.9	0	112.5	K499 E509	K499-K505 PolarHBondContact NZ-O 3.18Å; K505-E509 PolarHBondContact N-OE2 3.17Å; K505-E509 IonicContact NZ-OE1 3.34Å
506	S	96	Very high	94.1	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	24%	0.236	C	C	.	.	S	Bend	trans	-140.3	163.1	-178.1	66.3	0	0	0	0	112.1	Q508 E509 P562 E563 W565	S506-Q508 PolarHBondContact O-N 2.81Å; S506-E509 PolarHBondContact O-N 2.85Å; S506-E509 VanDerWaalsContact O-N 3.11Å; S506-P562 WeakPolarHBondContact CB-O 3.39Å; S506-E563 WeakPolarHBondContact CB-O 3.37Å; S506-W565 WeakPolarHBondContact CA-O 3.23Å; S506-W565 WeakPolarHBondContact CB-O 3.47Å
507	F	96.4	Very high	94.4	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-23.6	-178.1	-167.1	-105.5	0	0	0	113.2	F495 E509 I510 L511 P562 W565 P571 Y575 Y576	F495-F507 HydrophobicContact CB-CD2 4.12Å; F495-F507 HydrophobicContact CB-CE2 4.34Å; F495-F507 HydrophobicContact CD2-CB 4.48Å; F495-F507 AromaticContact CD2-CD2 3.89Å; F495-F507 HydrophobicContact CD2-CD2 3.89Å; F495-F507 HydrophobicContact CE2-CB 4.33Å; F495-F507 HydrophobicContact CG-CD2 4.01Å; F507-E509 PolarHBondContact O-N 2.99Å; F507-I510 HydrophobicContact CD2-CB 4.47Å; F507-I510 HydrophobicContact CD2-CD1 4.21Å; F507-I510 HydrophobicContact CE2-CB 4.49Å; F507-I510 HydrophobicContact CE2-CD1 4.19Å; F507-I510 HydrophobicContact CE2-CG2 4.25Å; F507-I510 HydrophobicContact CZ-CG2 4.48Å; F507-I510 WeakPolarHBondContact O-CB 3.31Å; F507-I510 PolarHBondContact O-N 3.38Å; F507-I510 VanDerWaalsContact O-N 3.11Å; F507-L511 HydrophobicContact CD1-CD1 3.95Å; F507-L511 HydrophobicContact CD1-CG 3.97Å; F507-L511 HydrophobicContact CE1-CD1 4.01Å; F507-L511 HydrophobicContact CE1-CD2 3.87Å; F507-L511 HydrophobicContact CE1-CG 3.84Å; F507-L511 HydrophobicContact CZ-CD2 4.5Å; F507-L511 PolarHBondContact O-N 3.02Å; F507-P562 HydrophobicContact CB-CB 4.21Å; F507-P562 HydrophobicContact CD1-CB 3.98Å; F507-P562 HydrophobicContact CD1-CG 4.2Å; F507-P562 PolarHBondContact N-O 2.97Å; F507-P562 VanDerWaalsContact N-O 3.09Å; F507-W565 HydrophobicContact CB-CB 4.09Å; F507-W565 HydrophobicContact CB-CG 4.41Å; F507-W565 PolarHBondContact N-O 3.43Å; F507-P571 HydrophobicContact CD2-CG 3.71Å; F507-P571 HydrophobicContact CE2-CG 3.95Å; F507-P571 HydrophobicContact CG-CG 4.17Å; F507-Y575 HydrophobicContact CD1-CD1 4.11Å; F507-Y575 AromaticContact CD1-CE1 3.57Å; F507-Y575 HydrophobicContact CD1-CE1 3.57Å; F507-Y575 AromaticContact CE1-CD1 3.92Å; F507-Y575 HydrophobicContact CE1-CD1 3.92Å; F507-Y575 AromaticContact CE1-CE1 3.84Å; F507-Y575 HydrophobicContact CE1-CE1 3.84Å; F507-Y575 HydrophobicContact CG-CE1 4.24Å; F507-Y575 HydrophobicContact CZ-CD1 4.49Å; F507-Y576 HydrophobicContact CE2-CD1 4.03Å; F507-Y576 AromaticContact CE2-CE1 3.5Å; F507-Y576 HydrophobicContact CE2-CE1 3.5Å; F507-Y576 HydrophobicContact CE2-CE2 4.25Å; F507-Y576 AromaticContact CE2-CZ 3.64Å; F507-Y576 AromaticContact CZ-CD1 3.68Å; F507-Y576 HydrophobicContact CZ-CD1 3.68Å; F507-Y576 AromaticContact CZ-CE1 3.67Å; F507-Y576 HydrophobicContact CZ-CE1 3.67Å; F507-Y576 HydrophobicContact CZ-CG 4.17Å
508	Q	97.1	Very high	94.8	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-32.2	172.9	-171.2	61.3	56.1	0	0	112.5	P245 G248 S506 I510 L511 N512 P562 E563	P245-Q508 VanDerWaalsContact CB-NE2 3.29Å; G248-Q508 VanDerWaalsContact CA-OE1 3.23Å; S506-Q508 PolarHBondContact O-N 2.81Å; Q508-I510 VanDerWaalsContact C-N 3.31Å; Q508-I510 PolarHBondContact O-N 2.86Å; Q508-L511 PolarHBondContact O-N 3.24Å; Q508-N512 PolarHBondContact NE2-OD1 3.33Å; Q508-N512 WeakPolarHBondContact O-CB 3.32Å; Q508-N512 PolarHBondContact O-N 3.36Å; Q508-N512 PolarHBondContact O-ND2 2.82Å; Q508-N512 PolarHBondContact O-OD1 3.07Å; Q508-P562 HydrophobicContact CB-CB 4.12Å; Q508-P562 PolarHBondContact N-O 3.24Å; Q508-E563 HydrophobicContact CB-CG 3.91Å; Q508-E563 HydrophobicContact CG-CG 3.81Å
509	E	96.3	Very high	95.1	Very high	50 Å²	50	41.8 Å²	41.8	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-35.2	177.4	-65.8	-179.3	166.6	0	0	111.1	M504 K505 S506 F507 N513	M504-E509 WeakPolarHBondContact CA-OE2 3.5Å; M504-E509 HydrophobicContact CB-CB 4.2Å; M504-E509 WeakPolarHBondContact CB-OE2 3.15Å; M504-E509 HydrophobicContact CG-CB 3.89Å; M504-E509 HydrophobicContact SD-CB 3.87Å; K505-E509 PolarHBondContact N-OE2 3.17Å; K505-E509 IonicContact NZ-OE1 3.34Å; S506-E509 PolarHBondContact O-N 2.85Å; S506-E509 VanDerWaalsContact O-N 3.11Å; F507-E509 PolarHBondContact O-N 2.99Å; E509-N513 WeakPolarHBondContact O-CB 3.4Å; E509-N513 PolarHBondContact O-N 3.4Å; E509-N513 VanDerWaalsContact O-N 3.09Å; E509-N513 PolarHBondContact O-ND2 2.9Å; E509-N513 VanDerWaalsContact O-ND2 3.1Å
510	I	96.2	Very high	95.3	Very high	5 Å²	5	43 Å²	43	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-50.4	170.7	-74.6	-175	0	0	0	111.1	F495 F498 M504 F507 Q508 N512 N513 I514	F495-I510 HydrophobicContact CB-CD1 3.75Å; F495-I510 HydrophobicContact CD2-CD1 3.67Å; F495-I510 HydrophobicContact CD2-CG1 4.39Å; F495-I510 HydrophobicContact CG-CD1 4.2Å; F498-I510 HydrophobicContact CD2-CD1 4.01Å; F498-I510 HydrophobicContact CE2-CD1 4.46Å; M504-I510 HydrophobicContact CE-CD1 4.03Å; M504-I510 HydrophobicContact CE-CG1 3.44Å; M504-I510 VanDerWaalsContact CE-CG1 3.44Å; M504-I510 HydrophobicContact SD-CG1 3.64Å; F507-I510 HydrophobicContact CD2-CB 4.47Å; F507-I510 HydrophobicContact CD2-CD1 4.21Å; F507-I510 HydrophobicContact CE2-CB 4.49Å; F507-I510 HydrophobicContact CE2-CD1 4.19Å; F507-I510 HydrophobicContact CE2-CG2 4.25Å; F507-I510 HydrophobicContact CZ-CG2 4.48Å; F507-I510 WeakPolarHBondContact O-CB 3.31Å; F507-I510 PolarHBondContact O-N 3.38Å; F507-I510 VanDerWaalsContact O-N 3.11Å; Q508-I510 VanDerWaalsContact C-N 3.31Å; Q508-I510 PolarHBondContact O-N 2.86Å; I510-N512 VanDerWaalsContact C-N 3.28Å; I510-N512 PolarHBondContact O-N 3.24Å; I510-N513 PolarHBondContact O-N 3.48Å; I510-I514 HydrophobicContact CG2-CD1 3.44Å; I510-I514 VanDerWaalsContact CG2-CD1 3.44Å; I510-I514 HydrophobicContact CG2-CG1 4.43Å; I510-I514 WeakPolarHBondContact O-CG1 3.28Å; I510-I514 PolarHBondContact O-N 3.3Å
511	L	97.8	Very high	95.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-36.8	-178.9	-66.7	179.6	0	0	0	112.1	F507 Q508 I514 F515 P562 Y579	F507-L511 HydrophobicContact CD1-CD1 3.95Å; F507-L511 HydrophobicContact CD1-CG 3.97Å; F507-L511 HydrophobicContact CE1-CD1 4.01Å; F507-L511 HydrophobicContact CE1-CD2 3.87Å; F507-L511 HydrophobicContact CE1-CG 3.84Å; F507-L511 HydrophobicContact CZ-CD2 4.5Å; F507-L511 PolarHBondContact O-N 3.02Å; Q508-L511 PolarHBondContact O-N 3.24Å; L511-I514 PolarHBondContact O-N 3.05Å; L511-F515 HydrophobicContact CD2-CD2 4.38Å; L511-F515 HydrophobicContact CD2-CE2 4.28Å; L511-F515 PolarHBondContact O-N 3.36Å; L511-P562 HydrophobicContact CD1-CB 3.74Å; L511-P562 HydrophobicContact CD1-CG 3.68Å; L511-Y579 HydrophobicContact CD1-CD1 4.14Å; L511-Y579 HydrophobicContact CD1-CG 4.05Å
512	N	97.8	Very high	95.9	Very high	45 Å²	45	34.2 Å²	34.2	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-52.2	172.6	-68.5	-9.4	0	0	0	111.3	F250 Q508 I510 I514 L516 P517	F250-N512 WeakPolarHBondContact CZ-OD1 3.4Å; Q508-N512 PolarHBondContact NE2-OD1 3.33Å; Q508-N512 WeakPolarHBondContact O-CB 3.32Å; Q508-N512 PolarHBondContact O-N 3.36Å; Q508-N512 PolarHBondContact O-ND2 2.82Å; Q508-N512 PolarHBondContact O-OD1 3.07Å; I510-N512 VanDerWaalsContact C-N 3.28Å; I510-N512 PolarHBondContact O-N 3.24Å; N512-I514 PolarHBondContact O-N 3.32Å; N512-L516 VanDerWaalsContact O-CB 3.23Å; N512-L516 WeakPolarHBondContact O-CB 3.44Å; N512-L516 PolarHBondContact O-N 2.77Å; N512-P517 WeakPolarHBondContact O-CD 3.33Å
513	N	97.3	Very high	96.1	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.112	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-29.4	-178.1	-65.9	-21.8	0	0	0	113	G462 K463 S464 P465 E509 I510	G462-N513 VanDerWaalsContact O-CB 3.31Å; G462-N513 WeakPolarHBondContact O-CB 3.4Å; G462-N513 PolarHBondContact O-ND2 3.22Å; K463-N513 PolarHBondContact O-ND2 2.79Å; S464-N513 PolarHBondContact N-ND2 3.42Å; P465-N513 VanDerWaalsContact CD-OD1 3.29Å; P465-N513 WeakPolarHBondContact CD-OD1 3.45Å; E509-N513 WeakPolarHBondContact O-CB 3.4Å; E509-N513 PolarHBondContact O-N 3.4Å; E509-N513 VanDerWaalsContact O-N 3.09Å; E509-N513 PolarHBondContact O-ND2 2.9Å; E509-N513 VanDerWaalsContact O-ND2 3.1Å; I510-N513 PolarHBondContact O-N 3.48Å
514	I	97.6	Very high	96.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-80.4	-52.6	177.2	-67.6	162.1	0	0	0	111.9	I460 W468 I491 I510 L511 N512	I460-I514 HydrophobicContact CG2-CG1 4.41Å; W468-I514 PolarHBondContact NE1-O 2.93Å; I491-I514 HydrophobicContact CD1-CD1 4.11Å; I491-I514 HydrophobicContact CD1-CG1 4.38Å; I491-I514 HydrophobicContact CD1-CG2 3.66Å; I491-I514 HydrophobicContact CG2-CD1 3.65Å; I510-I514 HydrophobicContact CG2-CD1 3.44Å; I510-I514 VanDerWaalsContact CG2-CD1 3.44Å; I510-I514 HydrophobicContact CG2-CG1 4.43Å; I510-I514 WeakPolarHBondContact O-CG1 3.28Å; I510-I514 PolarHBondContact O-N 3.3Å; L511-I514 PolarHBondContact O-N 3.05Å; N512-I514 PolarHBondContact O-N 3.32Å
515	F	98.3	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-100.7	-33.8	-165.3	-72.6	-75.2	0	0	0	114.4	F250 L511 L518 F519 F541 M580 N583 L587	F250-F515 HydrophobicContact CD2-CB 3.86Å; F250-F515 HydrophobicContact CE2-CB 3.72Å; L511-F515 HydrophobicContact CD2-CD2 4.38Å; L511-F515 HydrophobicContact CD2-CE2 4.28Å; L511-F515 PolarHBondContact O-N 3.36Å; F515-L518 HydrophobicContact CD1-CD1 4.42Å; F515-L518 WeakPolarHBondContact O-CB 3.43Å; F515-L518 PolarHBondContact O-N 2.59Å; F515-F519 HydrophobicContact CB-CD2 4.26Å; F515-F519 HydrophobicContact CB-CE2 4.11Å; F515-F519 VanDerWaalsContact O-CD2 3.31Å; F515-F519 WeakPolarHBondContact O-CD2 3.46Å; F515-F519 PolarHBondContact O-N 2.8Å; F515-F519 VanDerWaalsContact O-N 3.11Å; F515-F541 HydrophobicContact CE1-CZ 4.49Å; F515-M580 HydrophobicContact CZ-CB 4.45Å; F515-M580 HydrophobicContact CZ-CG 4.48Å; F515-N583 HydrophobicContact CB-CB 4.48Å; F515-N583 HydrophobicContact CD1-CB 3.76Å; F515-N583 HydrophobicContact CD2-CB 3.66Å; F515-N583 HydrophobicContact CE1-CB 3.8Å; F515-N583 HydrophobicContact CE2-CB 3.7Å; F515-N583 HydrophobicContact CG-CB 3.7Å; F515-N583 HydrophobicContact CZ-CB 3.78Å; F515-L587 HydrophobicContact CD1-CD2 4.39Å
516	L	97.6	Very high	96.8	Very high	50 Å²	50	18.5 Å²	18.5	26%	0.262	10%	0.098	S	C	.	.	H	α-helix	trans	-59.1	-44.5	-175.5	-177.9	60.2	0	0	0	112.8	I243 F250 N512 L518 F519 E520	I243-L516 HydrophobicContact CB-CD1 4.25Å; I243-L516 HydrophobicContact CG2-CD1 3.64Å; F250-L516 HydrophobicContact CE1-CB 4.14Å; F250-L516 HydrophobicContact CE1-CD1 4Å; F250-L516 HydrophobicContact CZ-CB 3.96Å; N512-L516 VanDerWaalsContact O-CB 3.23Å; N512-L516 WeakPolarHBondContact O-CB 3.44Å; N512-L516 PolarHBondContact O-N 2.77Å; L516-L518 PolarHBondContact O-N 3.46Å; L516-L518 VanDerWaalsContact O-N 3.14Å; L516-F519 PolarHBondContact O-N 2.89Å; L516-F519 VanDerWaalsContact O-N 3.12Å; L516-E520 HydrophobicContact CD1-CG 4.08Å; L516-E520 HydrophobicContact CG-CG 4.31Å; L516-E520 WeakPolarHBondContact O-CG 3.46Å; L516-E520 PolarHBondContact O-N 3.23Å
517	P	98	Very high	96.8	Very high	11 Å²	11	23.4 Å²	23.4	7%	0.071	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-27.4	175.8	-26.3	36.7	0	0	0	114	P465 W468 N512 A521 L531	P465-P517 HydrophobicContact CB-CG 3.98Å; W468-P517 HydrophobicContact CB-CB 4.21Å; W468-P517 HydrophobicContact CG-CB 4.31Å; N512-P517 WeakPolarHBondContact O-CD 3.33Å; P517-A521 VanDerWaalsContact O-CB 3.23Å; P517-A521 WeakPolarHBondContact O-CB 3.15Å; P517-A521 PolarHBondContact O-N 3.11Å; P517-L531 HydrophobicContact CB-CD2 4.34Å
518	L	98.1	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-78.1	-39.2	177.4	-56	178.7	0	0	0	112	W468 F515 L516 T522 L535 F541 L587	W468-L518 HydrophobicContact CD2-CD2 3.87Å; W468-L518 HydrophobicContact CE3-CD2 3.98Å; W468-L518 HydrophobicContact CH2-CD1 4.12Å; W468-L518 HydrophobicContact CH2-CD2 3.84Å; W468-L518 HydrophobicContact CH2-CG 4.48Å; W468-L518 HydrophobicContact CZ2-CD1 3.68Å; W468-L518 HydrophobicContact CZ2-CD2 3.79Å; W468-L518 HydrophobicContact CZ2-CG 4.02Å; W468-L518 HydrophobicContact CZ3-CD2 3.96Å; F515-L518 HydrophobicContact CD1-CD1 4.42Å; F515-L518 WeakPolarHBondContact O-CB 3.43Å; F515-L518 PolarHBondContact O-N 2.59Å; L516-L518 PolarHBondContact O-N 3.46Å; L516-L518 VanDerWaalsContact O-N 3.14Å; L518-T522 WeakPolarHBondContact O-CB 3.49Å; L518-T522 PolarHBondContact O-N 3.12Å; L518-T522 PolarHBondContact O-OG1 2.87Å; L518-L535 HydrophobicContact CD2-CD1 3.84Å; L518-L535 HydrophobicContact CD2-CD2 3.82Å; L518-L535 HydrophobicContact CD2-CG 4.43Å; L518-F541 HydrophobicContact CD1-CE1 4.18Å; L518-F541 HydrophobicContact CD1-CZ 3.68Å; L518-L587 HydrophobicContact CB-CD1 4.1Å; L518-L587 HydrophobicContact CB-CD2 3.7Å; L518-L587 HydrophobicContact CD1-CD2 3.67Å; L518-L587 HydrophobicContact CG-CD2 4.36Å
519	F	97.6	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-44.1	171.9	-77.3	-76.9	0	0	0	111	I243 F250 I252 F515 L516 T522 A523 V586 L587 F590	I243-F519 HydrophobicContact CD1-CB 3.81Å; I243-F519 HydrophobicContact CG1-CB 4.18Å; I243-F519 HydrophobicContact CG2-CB 3.86Å; I243-F519 HydrophobicContact CG2-CG 4.18Å; F250-F519 HydrophobicContact CB-CD2 3.95Å; F250-F519 HydrophobicContact CB-CE1 4.38Å; F250-F519 HydrophobicContact CB-CE2 3.42Å; F250-F519 VanDerWaalsContact CB-CE2 3.42Å; F250-F519 HydrophobicContact CB-CZ 3.67Å; F250-F519 HydrophobicContact CD1-CD2 4.43Å; F250-F519 HydrophobicContact CD2-CD2 4.09Å; F250-F519 AromaticContact CD2-CE2 3.75Å; F250-F519 HydrophobicContact CD2-CE2 3.75Å; F250-F519 AromaticContact CG-CD2 3.88Å; F250-F519 HydrophobicContact CG-CD2 3.88Å; F250-F519 AromaticContact CG-CE2 3.68Å; F250-F519 HydrophobicContact CG-CE2 3.68Å; F250-F519 HydrophobicContact CG-CZ 4.42Å; I252-F519 HydrophobicContact CD1-CD1 3.97Å; I252-F519 HydrophobicContact CD1-CE1 3.87Å; I252-F519 HydrophobicContact CG1-CD1 4.39Å; I252-F519 HydrophobicContact CG1-CE1 4.48Å; F515-F519 HydrophobicContact CB-CD2 4.26Å; F515-F519 HydrophobicContact CB-CE2 4.11Å; F515-F519 VanDerWaalsContact O-CD2 3.31Å; F515-F519 WeakPolarHBondContact O-CD2 3.46Å; F515-F519 PolarHBondContact O-N 2.8Å; F515-F519 VanDerWaalsContact O-N 3.11Å; L516-F519 PolarHBondContact O-N 2.89Å; L516-F519 VanDerWaalsContact O-N 3.12Å; F519-T522 PolarHBondContact O-N 3.25Å; F519-A523 WeakPolarHBondContact O-CB 3.41Å; F519-A523 PolarHBondContact O-N 3.27Å; F519-V586 HydrophobicContact CE1-CG1 4.15Å; F519-V586 HydrophobicContact CZ-CB 4.32Å; F519-V586 HydrophobicContact CZ-CG1 4.25Å; F519-L587 HydrophobicContact CD1-CD1 3.83Å; F519-L587 HydrophobicContact CD2-CD1 4.31Å; F519-L587 HydrophobicContact CE1-CB 3.91Å; F519-L587 HydrophobicContact CE1-CD1 3.93Å; F519-L587 HydrophobicContact CE2-CB 4.15Å; F519-L587 HydrophobicContact CE2-CD1 4.39Å; F519-L587 HydrophobicContact CG-CD1 4.02Å; F519-L587 HydrophobicContact CZ-CB 3.63Å; F519-L587 HydrophobicContact CZ-CD1 4.21Å; F519-L587 HydrophobicContact CZ-CG 4.49Å; F519-F590 AromaticContact CD1-CD1 3.82Å; F519-F590 HydrophobicContact CD1-CD1 3.82Å; F519-F590 HydrophobicContact CD1-CE1 4.35Å; F519-F590 HydrophobicContact CE1-CD1 4.35Å
520	E	96.6	Very high	96.7	Very high	61 Å²	61	26.4 Å²	26.4	29%	0.285	14%	0.135	S	C	.	.	H	α-helix	trans	-63.4	-44	177.3	-68.3	-166.2	116.2	0	0	112.7	I243 L516 T522 A523 R524	I243-E520 HydrophobicContact CD1-CG 4.38Å; L516-E520 HydrophobicContact CD1-CG 4.08Å; L516-E520 HydrophobicContact CG-CG 4.31Å; L516-E520 WeakPolarHBondContact O-CG 3.46Å; L516-E520 PolarHBondContact O-N 3.23Å; E520-T522 VanDerWaalsContact C-N 3.29Å; E520-T522 PolarHBondContact O-N 2.85Å; E520-A523 PolarHBondContact O-N 3.49Å; E520-R524 PolarHBondContact O-N 3.01Å; E520-R524 IonicContact OE1-NH2 2.74Å
521	A	96.6	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-23.7	174.8	0	0	0	0	0	113.7	P517 P525 H528 L531	P517-A521 VanDerWaalsContact O-CB 3.23Å; P517-A521 WeakPolarHBondContact O-CB 3.15Å; P517-A521 PolarHBondContact O-N 3.11Å; A521-P525 VanDerWaalsContact O-CA 3.3Å; A521-P525 WeakPolarHBondContact O-CA 3.49Å; A521-H528 HydrophobicContact CB-CB 3.69Å; A521-L531 HydrophobicContact CB-CB 4.47Å; A521-L531 HydrophobicContact CB-CD2 3.85Å; A521-L531 HydrophobicContact CB-CG 4.09Å
522	T	96.7	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-76.1	-42.9	171.8	-58.4	0	0	0	0	111.1	L518 F519 E520 F590 R591 R594 M596	L518-T522 WeakPolarHBondContact O-CB 3.49Å; L518-T522 PolarHBondContact O-N 3.12Å; L518-T522 PolarHBondContact O-OG1 2.87Å; F519-T522 PolarHBondContact O-N 3.25Å; E520-T522 VanDerWaalsContact C-N 3.29Å; E520-T522 PolarHBondContact O-N 2.85Å; T522-F590 HydrophobicContact CG2-CD1 3.42Å; T522-F590 VanDerWaalsContact CG2-CD1 3.42Å; T522-F590 HydrophobicContact CG2-CD2 4.49Å; T522-F590 HydrophobicContact CG2-CE1 3.47Å; T522-F590 VanDerWaalsContact CG2-CE1 3.47Å; T522-F590 HydrophobicContact CG2-CG 3.98Å; T522-F590 HydrophobicContact CG2-CZ 4.04Å; T522-R591 HydrophobicContact CG2-CB 4.33Å; T522-R591 HydrophobicContact CG2-CG 3.46Å; T522-R591 VanDerWaalsContact CG2-CG 3.46Å; T522-R591 VanDerWaalsContact OG1-CG 3.32Å; T522-R591 WeakPolarHBondContact OG1-CG 3.15Å; T522-R591 PolarHBondContact OG1-NH1 2.72Å; T522-R594 HydrophobicContact CG2-CG 4.45Å; T522-R594 PolarHBondContact O-NH2 3.06Å; T522-M596 HydrophobicContact CG2-SD 4Å; T522-M596 VanDerWaalsContact O-CE 3.26Å; T522-M596 WeakPolarHBondContact O-CE 3.44Å
523	A	95.6	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-43.4	176.9	0	0	0	0	0	111.6	E239 F241 I243 F519 E520 F590 R594	E239-A523 PolarHBondContact N-O 3.37Å; F241-A523 HydrophobicContact CD2-CB 4.21Å; I243-A523 HydrophobicContact CD1-CB 4.25Å; F519-A523 WeakPolarHBondContact O-CB 3.41Å; F519-A523 PolarHBondContact O-N 3.27Å; E520-A523 PolarHBondContact O-N 3.49Å; A523-F590 HydrophobicContact CB-CE1 4.19Å; A523-F590 HydrophobicContact CB-CZ 3.89Å; A523-R594 PolarHBondContact O-NH1 3.03Å; A523-R594 PolarHBondContact O-NH2 3.44Å
524	R	95.5	Very high	96.6	Very high	47 Å²	47	26.8 Å²	26.8	18%	0.177	13%	0.132	C	C	.	.			trans	-137.6	64.7	-166.3	-58.9	-176.6	-58.8	-145.5	-10.4	112	D238 E239 D240 E520 S526 K527 H528	D238-R524 HydrophobicContact CB-CB 4.27Å; D238-R524 HydrophobicContact CB-CG 4.22Å; D238-R524 VanDerWaalsContact CG-CA 3.48Å; D238-R524 VanDerWaalsContact OD1-C 3.24Å; D238-R524 WeakPolarHBondContact OD1-CA 3.24Å; D238-R524 WeakPolarHBondContact OD2-CB 3.45Å; E239-R524 WeakPolarHBondContact O-CG 3.3Å; D240-R524 WeakPolarHBondContact OD1-CD 3.41Å; D240-R524 IonicContact OD1-CZ 3.54Å; D240-R524 IonicContact OD1-NE 3.66Å; D240-R524 IonicContact OD1-NH1 3.53Å; D240-R524 PolarHBondContact OD1-NH1 3.43Å; E520-R524 PolarHBondContact O-N 3.01Å; E520-R524 IonicContact OE1-NH2 2.74Å; R524-S526 PolarHBondContact O-N 2.92Å; R524-S526 VanDerWaalsContact O-N 3.11Å; R524-K527 HydrophobicContact CB-CB 4.38Å; R524-K527 HydrophobicContact CB-CD 4.02Å; R524-K527 HydrophobicContact CB-CG 4.29Å; R524-K527 PolarHBondContact O-N 3.03Å; R524-H528 PolarHBondContact O-CD2 3.01Å
525	P	95.8	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.4	-174.5	25.6	-36.3	0	0	0	113.4	F235 P236 D238 A521 K527 H528 P529 H532 M596	F235-P525 HydrophobicContact CD1-CB 4.14Å; F235-P525 WeakPolarHBondContact CE1-O 3.42Å; P236-P525 VanDerWaalsContact O-CG 3.32Å; P236-P525 WeakPolarHBondContact O-CG 3.27Å; D238-P525 WeakPolarHBondContact OD1-CD 3.2Å; A521-P525 VanDerWaalsContact O-CA 3.3Å; A521-P525 WeakPolarHBondContact O-CA 3.49Å; P525-K527 VanDerWaalsContact C-N 3.27Å; P525-K527 PolarHBondContact O-N 3.28Å; P525-H528 CarbonylContact O-C 3.57Å; P525-H528 VanDerWaalsContact O-C 3.3Å; P525-H528 PolarHBondContact O-N 3.2Å; P525-P529 WeakPolarHBondContact O-CA 3.22Å; P525-H532 HydrophobicContact CB-CB 3.95Å; P525-M596 HydrophobicContact CB-CE 4.13Å; P525-M596 HydrophobicContact CG-CE 3.89Å
526	S	94.9	Very high	96.3	Very high	67 Å²	67	29.8 Å²	29.8	47%	0.469	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-68.4	-25.3	177.6	-43	0	0	0	0	113	D238 R524	D238-S526 WeakPolarHBondContact OD1-CB 3.39Å; D238-S526 PolarHBondContact OD1-N 2.83Å; D238-S526 PolarHBondContact OD1-OG 2.92Å; R524-S526 PolarHBondContact O-N 2.92Å; R524-S526 VanDerWaalsContact O-N 3.11Å
527	K	95.3	Very high	96.2	Very high	118 Å²	118	28.7 Å²	28.7	51%	0.513	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-84.7	-16.9	175.4	-61.8	178.4	-166	179.3	0	112.9	D240 R524 P525 P529	D240-K527 IonicContact OD1-NZ 3.65Å; R524-K527 HydrophobicContact CB-CB 4.38Å; R524-K527 HydrophobicContact CB-CD 4.02Å; R524-K527 HydrophobicContact CB-CG 4.29Å; R524-K527 PolarHBondContact O-N 3.03Å; P525-K527 VanDerWaalsContact C-N 3.27Å; P525-K527 PolarHBondContact O-N 3.28Å; K527-P529 VanDerWaalsContact C-CD 3.46Å
528	H	95.9	Very high	96.2	Very high	44 Å²	44	28.3 Å²	28.3	20%	0.204	14%	0.135	C	C	.	.	S	Bend	trans	-129.9	53.6	-179.8	-52.9	-93.9	0	0	0	112	A521 R524 P525 E530 L531 H532	A521-H528 HydrophobicContact CB-CB 3.69Å; R524-H528 PolarHBondContact O-CD2 3.01Å; P525-H528 CarbonylContact O-C 3.57Å; P525-H528 VanDerWaalsContact O-C 3.3Å; P525-H528 PolarHBondContact O-N 3.2Å; H528-E530 PolarHBondContact O-N 2.99Å; H528-L531 HydrophobicContact CB-CB 4.26Å; H528-L531 PolarHBondContact O-N 3.5Å; H528-L531 VanDerWaalsContact O-N 3.11Å; H528-H532 PolarHBondContact O-N 2.86Å
529	P	96.1	Very high	96.1	Very high	42 Å²	42	29.3 Å²	29.3	27%	0.273	14%	0.141	S	C	.	.	H	α-helix	trans	-70.9	-30.5	-163	28.2	-34.5	0	0	0	114.2	F235 P525 K527 R533	F235-P529 HydrophobicContact CE1-CB 3.67Å; F235-P529 HydrophobicContact CZ-CB 3.78Å; P525-P529 WeakPolarHBondContact O-CA 3.22Å; K527-P529 VanDerWaalsContact C-CD 3.46Å; P529-R533 WeakPolarHBondContact O-CB 3.26Å; P529-R533 VanDerWaalsContact O-CD 3.29Å; P529-R533 WeakPolarHBondContact O-CD 3.34Å; P529-R533 WeakPolarHBondContact O-CG 3.24Å; P529-R533 PolarHBondContact O-N 3.12Å
530	E	96.2	Very high	96.1	Very high	39 Å²	39	29.3 Å²	29.3	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-44.9	171	-60.6	95	138.2	0	0	110.7	Y469 A472 I476 H528 R533 F534	Y469-E530 VanDerWaalsContact CE2-CD 3.5Å; Y469-E530 HydrophobicContact CE2-CG 4.4Å; Y469-E530 VanDerWaalsContact CE2-OE1 3.31Å; Y469-E530 WeakPolarHBondContact CE2-OE1 3.26Å; Y469-E530 PolarHBondContact OH-OE1 3.18Å; A472-E530 HydrophobicContact CB-CB 4.22Å; I476-E530 HydrophobicContact CD1-CB 3.94Å; I476-E530 HydrophobicContact CD1-CG 4.48Å; I476-E530 WeakPolarHBondContact CD1-O 3.37Å; H528-E530 PolarHBondContact O-N 2.99Å; E530-R533 PolarHBondContact O-N 3.29Å; E530-F534 WeakPolarHBondContact O-CB 3.33Å; E530-F534 PolarHBondContact O-N 3.49Å
531	L	97.2	Very high	96.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-67.7	-46.1	-177.8	-175.5	53.9	0	0	0	111.6	W468 A472 P517 A521 H528 R533 F534 L535	W468-L531 HydrophobicContact CB-CD1 4.1Å; W468-L531 HydrophobicContact CB-CD2 3.99Å; W468-L531 HydrophobicContact CD2-CD1 4.37Å; W468-L531 HydrophobicContact CE3-CD1 3.74Å; W468-L531 HydrophobicContact CZ3-CD1 4.5Å; A472-L531 HydrophobicContact CB-CB 4.23Å; A472-L531 HydrophobicContact CB-CD1 4.11Å; P517-L531 HydrophobicContact CB-CD2 4.34Å; A521-L531 HydrophobicContact CB-CB 4.47Å; A521-L531 HydrophobicContact CB-CD2 3.85Å; A521-L531 HydrophobicContact CB-CG 4.09Å; H528-L531 HydrophobicContact CB-CB 4.26Å; H528-L531 PolarHBondContact O-N 3.5Å; H528-L531 VanDerWaalsContact O-N 3.11Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.38Å; L531-F534 PolarHBondContact O-N 2.93Å; L531-L535 HydrophobicContact CD1-CD1 4.12Å; L531-L535 HydrophobicContact CD1-CD2 4.23Å; L531-L535 HydrophobicContact CD1-CG 3.93Å; L531-L535 HydrophobicContact CG-CD1 4.02Å; L531-L535 HydrophobicContact CG-CG 4.3Å; L531-L535 WeakPolarHBondContact O-CB 3.33Å; L531-L535 VanDerWaalsContact O-CG 3.25Å; L531-L535 WeakPolarHBondContact O-CG 3.42Å; L531-L535 PolarHBondContact O-N 3.09Å
532	H	96.3	Very high	96.3	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-39.1	176.1	178.6	54.9	0	0	0	112.8	E234 F235 P525 H528 Q536	E234-H532 PolarHBondContact O-NE2 3Å; F235-H532 AromaticContact CD1-CD2 3.84Å; F235-H532 HydrophobicContact CE1-CB 4.4Å; F235-H532 AromaticContact CE1-CD2 3.76Å; F235-H532 AromaticContact CZ-CD2 3.93Å; P525-H532 HydrophobicContact CB-CB 3.95Å; H528-H532 PolarHBondContact O-N 2.86Å; H532-Q536 PolarHBondContact CE1-NE2 3.35Å; H532-Q536 PolarHBondContact O-NE2 3.02Å
533	R	95.7	Very high	96.2	Very high	75 Å²	75	26.5 Å²	26.5	28%	0.283	13%	0.127	S	C	.	.	H	α-helix	trans	-66.1	-47.3	174.5	-74.9	168.2	-176.3	-155.8	-1.2	112.6	W231 V233 F235 I476 P529 E530 L531 Q536	W231-R533 VanDerWaalsContact O-CD 3.27Å; W231-R533 WeakPolarHBondContact O-CD 3.3Å; W231-R533 WeakPolarHBondContact O-CG 3.48Å; W231-R533 PolarHBondContact O-NE 3.16Å; V233-R533 HydrophobicContact CG1-CB 4.48Å; V233-R533 HydrophobicContact CG1-CG 4.19Å; V233-R533 HydrophobicContact CG2-CB 4.41Å; V233-R533 HydrophobicContact CG2-CG 3.6Å; F235-R533 HydrophobicContact CE2-CG 4.32Å; F235-R533 HydrophobicContact CZ-CG 4.15Å; I476-R533 HydrophobicContact CD1-CB 3.67Å; P529-R533 WeakPolarHBondContact O-CB 3.26Å; P529-R533 VanDerWaalsContact O-CD 3.29Å; P529-R533 WeakPolarHBondContact O-CD 3.34Å; P529-R533 WeakPolarHBondContact O-CG 3.24Å; P529-R533 PolarHBondContact O-N 3.12Å; E530-R533 PolarHBondContact O-N 3.29Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.38Å; R533-Q536 PolarHBondContact O-N 3.1Å
534	F	97.1	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-40.2	179.4	177.7	-113.8	0	0	0	112.2	L458 L471 A472 A475 W487 I489 E530 L531 Q536 Y537 V538	L458-F534 HydrophobicContact CD1-CE2 4.41Å; L458-F534 HydrophobicContact CD1-CZ 3.96Å; L471-F534 HydrophobicContact CD2-CE1 3.9Å; L471-F534 HydrophobicContact CD2-CZ 4.09Å; L471-F534 HydrophobicContact CG-CE1 4.05Å; L471-F534 HydrophobicContact CG-CZ 4.1Å; A472-F534 HydrophobicContact CB-CB 3.63Å; A472-F534 HydrophobicContact CB-CD1 4.11Å; A472-F534 HydrophobicContact CB-CG 4.04Å; A475-F534 HydrophobicContact CB-CD2 3.57Å; A475-F534 HydrophobicContact CB-CE2 3.81Å; W487-F534 AromaticContact CD1-CE2 3.92Å; W487-F534 HydrophobicContact CG-CE2 4.36Å; W487-F534 HydrophobicContact CG-CZ 4.49Å; I489-F534 HydrophobicContact CD1-CE1 4.24Å; I489-F534 HydrophobicContact CD1-CZ 4.42Å; E530-F534 WeakPolarHBondContact O-CB 3.33Å; E530-F534 PolarHBondContact O-N 3.49Å; L531-F534 PolarHBondContact O-N 2.93Å; F534-Q536 PolarHBondContact O-N 3.4Å; F534-Q536 VanDerWaalsContact O-N 3.14Å; F534-Y537 PolarHBondContact O-N 2.97Å; F534-V538 HydrophobicContact CD1-CG2 3.97Å; F534-V538 HydrophobicContact CE1-CG2 3.56Å; F534-V538 HydrophobicContact CZ-CG2 3.89Å
535	L	96.8	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-19.9	-179.6	-69.8	175.2	0	0	0	113.9	W468 L518 L531 Y537 V538 N597 F599	W468-L535 HydrophobicContact CH2-CD2 4.4Å; W468-L535 HydrophobicContact CZ3-CD2 3.86Å; L518-L535 HydrophobicContact CD2-CD1 3.84Å; L518-L535 HydrophobicContact CD2-CD2 3.82Å; L518-L535 HydrophobicContact CD2-CG 4.43Å; L531-L535 HydrophobicContact CD1-CD1 4.12Å; L531-L535 HydrophobicContact CD1-CD2 4.23Å; L531-L535 HydrophobicContact CD1-CG 3.93Å; L531-L535 HydrophobicContact CG-CD1 4.02Å; L531-L535 HydrophobicContact CG-CG 4.3Å; L531-L535 WeakPolarHBondContact O-CB 3.33Å; L531-L535 VanDerWaalsContact O-CG 3.25Å; L531-L535 WeakPolarHBondContact O-CG 3.42Å; L531-L535 PolarHBondContact O-N 3.09Å; L535-Y537 PolarHBondContact O-N 3.43Å; L535-V538 HydrophobicContact CD2-CB 4.27Å; L535-V538 HydrophobicContact CD2-CG2 4.21Å; L535-V538 PolarHBondContact O-N 3.18Å; L535-N597 PolarHBondContact O-ND2 2.91Å; L535-F599 HydrophobicContact CB-CZ 4.29Å; L535-F599 HydrophobicContact CD1-CZ 4.43Å; L535-F599 HydrophobicContact CD2-CE1 4.25Å; L535-F599 HydrophobicContact CD2-CZ 3.87Å; L535-F599 HydrophobicContact CG-CZ 4.41Å
536	Q	93.4	Very high	95.5	Very high	64 Å²	64	27.1 Å²	27.1	30%	0.299	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.8	172.4	-57.4	-47.7	-56	0	0	113.6	V233 H532 R533 F534 N597	V233-Q536 HydrophobicContact CB-CG 4.15Å; V233-Q536 HydrophobicContact CG1-CB 4.44Å; V233-Q536 HydrophobicContact CG1-CG 3.76Å; H532-Q536 PolarHBondContact CE1-NE2 3.35Å; H532-Q536 PolarHBondContact O-NE2 3.02Å; R533-Q536 PolarHBondContact O-N 3.1Å; F534-Q536 PolarHBondContact O-N 3.4Å; F534-Q536 VanDerWaalsContact O-N 3.14Å; Q536-N597 PolarHBondContact NE2-OD1 3.3Å; Q536-N597 PolarHBondContact OE1-OD1 2.8Å
537	Y	95.1	Very high	95.4	Very high	28 Å²	28	24.6 Å²	24.6	11%	0.11	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-4.4	178.6	-59.7	-62	0	0	0	113.7	P230 W231 Y481 W487 F534 L535	P230-Y537 PolarHBondContact O-OH 3.37Å; W231-Y537 HydrophobicContact CE3-CD2 4.29Å; W231-Y537 HydrophobicContact CE3-CE2 4.04Å; W231-Y537 HydrophobicContact CH2-CD2 4.38Å; W231-Y537 AromaticContact CZ3-CD2 3.74Å; W231-Y537 HydrophobicContact CZ3-CD2 3.74Å; W231-Y537 AromaticContact CZ3-CE2 3.93Å; W231-Y537 HydrophobicContact CZ3-CE2 3.93Å; Y481-Y537 HydrophobicContact CD2-CE1 4.21Å; Y481-Y537 HydrophobicContact CD2-CE2 4.11Å; Y481-Y537 AromaticContact CD2-CZ 3.93Å; Y481-Y537 HydrophobicContact CE2-CD1 4.22Å; Y481-Y537 AromaticContact CE2-CE1 3.59Å; Y481-Y537 HydrophobicContact CE2-CE1 3.59Å; Y481-Y537 HydrophobicContact CE2-CE2 4.23Å; Y481-Y537 AromaticContact CE2-CZ 3.57Å; W487-Y537 PolarHBondContact N-O 3.23Å; F534-Y537 PolarHBondContact O-N 2.97Å; L535-Y537 PolarHBondContact O-N 3.43Å
538	V	97.4	Very high	95	Very high	2 Å²	2	22 Å²	22	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.5	168.8	176.7	0	0	0	0	108.8	W487 I489 F534 L535 N597 F599	W487-V538 HydrophobicContact CB-CG2 4.22Å; W487-V538 WeakPolarHBondContact O-CA 3.43Å; I489-V538 HydrophobicContact CD1-CG2 4.34Å; I489-V538 HydrophobicContact CG1-CG1 3.76Å; I489-V538 HydrophobicContact CG1-CG2 4.22Å; F534-V538 HydrophobicContact CD1-CG2 3.97Å; F534-V538 HydrophobicContact CE1-CG2 3.56Å; F534-V538 HydrophobicContact CZ-CG2 3.89Å; L535-V538 HydrophobicContact CD2-CB 4.27Å; L535-V538 HydrophobicContact CD2-CG2 4.21Å; L535-V538 PolarHBondContact O-N 3.18Å; V538-N597 PolarHBondContact O-ND2 2.82Å; V538-F599 HydrophobicContact CB-CE1 4.09Å; V538-F599 HydrophobicContact CG1-CD1 4.01Å; V538-F599 HydrophobicContact CG1-CE1 3.93Å
539	I	96.6	Very high	94.7	Very high	22 Å²	22	23.6 Å²	23.6	11%	0.113	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-17	-175.3	55.5	163.5	0	0	0	113.5	E455 R486 W487 L488 V600 G723	E455-I539 HydrophobicContact CG-CD1 4.25Å; E455-I539 WeakPolarHBondContact OE1-CD1 3.42Å; R486-I539 HydrophobicContact CB-CD1 3.88Å; R486-I539 HydrophobicContact CB-CG1 4.17Å; R486-I539 HydrophobicContact CB-CG2 4.01Å; R486-I539 HydrophobicContact CG-CG2 4.17Å; W487-I539 VanDerWaalsContact O-CG1 3.28Å; W487-I539 WeakPolarHBondContact O-CG1 3.16Å; W487-I539 PolarHBondContact O-N 3.03Å; L488-I539 HydrophobicContact CD1-CD1 3.56Å; L488-I539 HydrophobicContact CD1-CG1 3.72Å; L488-I539 HydrophobicContact CG-CG1 4.3Å; I539-V600 WeakPolarHBondContact O-CG2 3.26Å; I539-V600 PolarHBondContact O-N 3.45Å; I539-V600 VanDerWaalsContact O-N 3.1Å; I539-G723 WeakPolarHBondContact CG2-O 3.39Å
540	G	97.4	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	175.2	-175.8	0	0	0	0	0	115.7	L488 I489 V600	L488-G540 WeakPolarHBondContact CA-O 3.47Å; I489-G540 PolarHBondContact N-O 3.28Å; G540-V600 CarbonylContact C-O 3.54Å; G540-V600 WeakPolarHBondContact CA-O 3.31Å
541	F	98.4	Very high	93.7	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.9	176.9	-62.2	-76.1	0	0	0	111.6	W468 I489 I491 F515 L518 M580 M584 F599 V600 L601 R602	W468-F541 AromaticContact CH2-CE1 3.98Å; W468-F541 HydrophobicContact CH2-CE1 3.98Å; W468-F541 AromaticContact CZ2-CE1 3.98Å; W468-F541 HydrophobicContact CZ2-CE1 3.98Å; I489-F541 HydrophobicContact CB-CD1 4.09Å; I489-F541 HydrophobicContact CB-CE1 4.32Å; I489-F541 HydrophobicContact CG2-CD1 4.34Å; I489-F541 HydrophobicContact CG2-CE1 4.46Å; I489-F541 WeakPolarHBondContact O-CA 3.23Å; I491-F541 HydrophobicContact CD1-CD1 4.11Å; F515-F541 HydrophobicContact CE1-CZ 4.49Å; L518-F541 HydrophobicContact CD1-CE1 4.18Å; L518-F541 HydrophobicContact CD1-CZ 3.68Å; F541-M580 HydrophobicContact CB-CE 3.99Å; F541-M584 HydrophobicContact CD2-CB 4.44Å; F541-M584 HydrophobicContact CD2-CG 3.94Å; F541-M584 HydrophobicContact CD2-SD 3.93Å; F541-M584 HydrophobicContact CE2-CG 4.05Å; F541-F599 HydrophobicContact CD2-CB 4.02Å; F541-F599 HydrophobicContact CE2-CB 3.68Å; F541-F599 AromaticContact CE2-CD2 3.76Å; F541-F599 HydrophobicContact CE2-CD2 3.76Å; F541-F599 AromaticContact CE2-CG 3.83Å; F541-F599 HydrophobicContact CE2-CG 3.83Å; F541-F599 HydrophobicContact CZ-CD2 4.15Å; F541-F599 HydrophobicContact CZ-CG 4.37Å; F541-V600 PolarHBondContact N-O 3.08Å; F541-L601 HydrophobicContact CB-CD1 4.35Å; F541-R602 PolarHBondContact O-N 2.89Å
542	D	98.3	Very high	93	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.8	174.6	-169.7	-14	0	0	0	108.7	R457 L488 I489 Q490 I491 R602 P603 H604	R457-D542 WeakPolarHBondContact CD-OD2 3.34Å; R457-D542 IonicContact CZ-OD2 2.73Å; R457-D542 IonicContact NE-OD2 3.62Å; R457-D542 PolarHBondContact NE-OD2 3.46Å; R457-D542 IonicContact NH2-OD2 3.24Å; L488-D542 HydrophobicContact CD2-CB 4.34Å; I489-D542 PolarHBondContact O-N 3.06Å; Q490-D542 CarbonylContact C-O 3.47Å; Q490-D542 WeakPolarHBondContact CA-O 3.44Å; Q490-D542 HydrophobicContact CB-CB 4.18Å; I491-D542 PolarHBondContact N-O 2.89Å; D542-R602 VanDerWaalsContact CG-O 3.24Å; D542-P603 VanDerWaalsContact OD1-C 3.3Å; D542-P603 WeakPolarHBondContact OD1-CA 3.37Å; D542-H604 VanDerWaalsContact CG-ND1 3.32Å; D542-H604 IonicContact OD1-CE1 2.72Å; D542-H604 IonicContact OD1-CG 2.76Å; D542-H604 PolarHBondContact OD1-N 2.9Å; D542-H604 IonicContact OD1-ND1 2.82Å; D542-H604 PolarHBondContact OD1-ND1 2.92Å; D542-H604 IonicContact OD2-CE1 3.64Å; D542-H604 PolarHBondContact OD2-CE1 3.19Å; D542-H604 IonicContact OD2-ND1 2.66Å; D542-H604 PolarHBondContact OD2-ND1 3.28Å
543	S	96.1	Very high	91.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.1	175.2	-176.7	0	0	0	0	108.5	R493 I577 H604	R493-S543 WeakPolarHBondContact CG-OG 3.26Å; R493-S543 PolarHBondContact NH1-O 3.44Å; R493-S543 PolarHBondContact NH1-OG 3.11Å; S543-I577 VanDerWaalsContact CB-CD1 3.45Å; S543-H604 PolarHBondContact O-N 3.31Å
544	V	94.1	Very high	90.6	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.2	-168.6	-54.8	0	0	0	0	111.7	Q490 I491 P492 R493 H604	Q490-V544 HydrophobicContact CB-CG1 3.82Å; Q490-V544 HydrophobicContact CB-CG2 4.16Å; Q490-V544 HydrophobicContact CG-CG2 4.34Å; I491-V544 PolarHBondContact O-N 3.03Å; I491-V544 VanDerWaalsContact O-N 3.1Å; P492-V544 CarbonylContact C-O 3.57Å; P492-V544 VanDerWaalsContact CA-O 3.23Å; P492-V544 WeakPolarHBondContact CA-O 3.43Å; P492-V544 HydrophobicContact CB-CG2 4.12Å; P492-V544 HydrophobicContact CG-CG2 3.87Å; R493-V544 PolarHBondContact N-O 3.35Å; V544-H604 WeakPolarHBondContact CG1-CE1 3.35Å
545	D	90	Very high	89.9	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.134	21%	0.206	C	C	.	.	S	Bend	trans	154.9	169.5	166.5	-176.9	31.8	0	0	0	106.7	R493 L494 E547 K549	R493-D545 HydrophobicContact CB-CB 4.01Å; R493-D545 PolarHBondContact NH2-O 3.07Å; L494-D545 HydrophobicContact CD2-CB 4.39Å; D545-E547 PolarHBondContact O-N 2.91Å; D545-K549 IonicContact OD1-NZ 3.87Å; D545-K549 PolarHBondContact OD1-NZ 2.9Å; D545-K549 WeakPolarHBondContact OD2-CE 3.14Å; D545-K549 IonicContact OD2-NZ 3.78Å; D545-K549 PolarHBondContact OD2-NZ 3.09Å
546	D	88.3	Confident	89.4	Confident	26 Å²	26	40.3 Å²	40.3	14%	0.139	22%	0.219	C	C	.	.			trans	-52.3	99.2	175.8	-174.1	-1	0	0	0	112.9	F404 S548 K549	F404-D546 HydrophobicContact CB-CB 4.22Å; F404-D546 WeakPolarHBondContact CB-OD2 3.44Å; F404-D546 HydrophobicContact CD1-CB 3.49Å; F404-D546 VanDerWaalsContact CD1-CB 3.49Å; F404-D546 HydrophobicContact CE1-CB 3.91Å; F404-D546 HydrophobicContact CG-CB 3.84Å; D546-S548 PolarHBondContact O-N 3.07Å; D546-S548 VanDerWaalsContact O-N 3.17Å; D546-S548 WeakPolarHBondContact OD1-CA 3.38Å; D546-S548 VanDerWaalsContact OD1-CB 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.45Å; D546-S548 PolarHBondContact OD1-N 3.22Å; D546-S548 PolarHBondContact OD1-OG 3.33Å; D546-S548 PolarHBondContact OD2-OG 2.91Å; D546-K549 HydrophobicContact CB-CD 4.12Å; D546-K549 HydrophobicContact CB-CG 3.98Å; D546-K549 WeakPolarHBondContact O-CB 3.37Å; D546-K549 WeakPolarHBondContact O-CG 3.32Å; D546-K549 PolarHBondContact O-N 3.13Å
547	E	91.4	Very high	89.1	Confident	13 Å²	13	40 Å²	40	6%	0.061	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	175.6	-71.1	-177.4	177.1	0	0	113	D545 K549 C605 G606 E607 A608 G609	D545-E547 PolarHBondContact O-N 2.91Å; E547-K549 VanDerWaalsContact C-N 3.31Å; E547-C605 VanDerWaalsContact OE1-CA 3.22Å; E547-C605 WeakPolarHBondContact OE1-CA 3.37Å; E547-C605 PolarHBondContact OE1-N 2.76Å; E547-C605 VanDerWaalsContact OE1-N 3.09Å; E547-G606 PolarHBondContact OE1-N 3.34Å; E547-G606 WeakPolarHBondContact OE2-CA 3.32Å; E547-G606 PolarHBondContact OE2-N 3.1Å; E547-E607 WeakPolarHBondContact OE2-CA 3.31Å; E547-E607 PolarHBondContact OE2-N 3.07Å; E547-A608 HydrophobicContact CB-CB 3.96Å; E547-A608 PolarHBondContact OE2-N 3.47Å; E547-G609 WeakPolarHBondContact O-CA 3.18Å; E547-G609 PolarHBondContact O-N 3.24Å; E547-G609 VanDerWaalsContact O-N 3.16Å
548	S	88.2	Confident	88.7	Confident	64 Å²	64	46 Å²	46	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.9	179.2	79.6	0	0	0	0	114	D546	D546-S548 PolarHBondContact O-N 3.07Å; D546-S548 VanDerWaalsContact O-N 3.17Å; D546-S548 WeakPolarHBondContact OD1-CA 3.38Å; D546-S548 VanDerWaalsContact OD1-CB 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.45Å; D546-S548 PolarHBondContact OD1-N 3.22Å; D546-S548 PolarHBondContact OD1-OG 3.33Å; D546-S548 PolarHBondContact OD2-OG 2.91Å
549	K	87.9	Confident	88.4	Confident	77 Å²	77	46.9 Å²	46.9	34%	0.335	26%	0.259	S	S	.	.	S	Bend	trans	-57.6	134.3	172	-75.6	174.4	176.9	178.4	0	111	D545 D546 E547 E551	D545-K549 IonicContact OD1-NZ 3.87Å; D545-K549 PolarHBondContact OD1-NZ 2.9Å; D545-K549 WeakPolarHBondContact OD2-CE 3.14Å; D545-K549 IonicContact OD2-NZ 3.78Å; D545-K549 PolarHBondContact OD2-NZ 3.09Å; D546-K549 HydrophobicContact CB-CD 4.12Å; D546-K549 HydrophobicContact CB-CG 3.98Å; D546-K549 WeakPolarHBondContact O-CB 3.37Å; D546-K549 WeakPolarHBondContact O-CG 3.32Å; D546-K549 PolarHBondContact O-N 3.13Å; E547-K549 VanDerWaalsContact C-N 3.31Å; K549-E551 PolarHBondContact O-N 3.09Å
550	P	85.7	Confident	88.2	Confident	137 Å²	137	46.9 Å²	46.9	89%	0.89	26%	0.261	S	S	*	.			trans	-62.1	125.3	170.5	-22.5	34	0	0	0	111.4
551	E	86.7	Confident	88.1	Confident	59 Å²	59	49.9 Å²	49.9	28%	0.276	27%	0.272	S	S	.	.			trans	-126.4	166.4	171.1	62.1	170.9	-160.6	0	0	109.8	K549 P553 P572 Y573 P610 H613	K549-E551 PolarHBondContact O-N 3.09Å; E551-P553 VanDerWaalsContact O-CD 3.3Å; E551-P553 WeakPolarHBondContact O-CD 3.28Å; E551-P572 WeakPolarHBondContact OE2-CA 3.48Å; E551-Y573 WeakPolarHBondContact OE2-CB 3.22Å; E551-Y573 PolarHBondContact OE2-N 3.06Å; E551-P610 HydrophobicContact CG-CG 4.14Å; E551-H613 IonicContact OE1-CD2 2.87Å; E551-H613 IonicContact OE1-CE1 3.52Å; E551-H613 IonicContact OE1-NE2 3.65Å; E551-H613 PolarHBondContact OE1-NE2 3.36Å; E551-H613 IonicContact OE2-NE2 3.79Å
552	N	81.6	Confident	87.9	Confident	97 Å²	97	49.9 Å²	49.9	52%	0.519	27%	0.272	S	S	.	.			trans	-86	108.4	164	-179.3	12.6	0	0	0	109.1	L554 P572	N552-L554 PolarHBondContact O-N 3.41Å; N552-L554 WeakPolarHBondContact OD1-CB 3.44Å; N552-L554 PolarHBondContact OD1-N 3Å; N552-P572 VanDerWaalsContact O-CB 3.23Å; N552-P572 WeakPolarHBondContact O-CB 3.45Å
553	P	71.1	Confident	87.8	Confident	42 Å²	42	54.3 Å²	54.3	27%	0.273	29%	0.293	S	S	.	.			trans	-76.3	-0.7	-177.1	34.1	-37.9	0	0	0	113.5	E551 F555 P610 Q612	E551-P553 VanDerWaalsContact O-CD 3.3Å; E551-P553 WeakPolarHBondContact O-CD 3.28Å; P553-F555 PolarHBondContact O-N 3.1Å; P553-P610 HydrophobicContact CB-CB 4.14Å; P553-P610 HydrophobicContact CB-CG 4.19Å; P553-Q612 HydrophobicContact CB-CG 4.28Å
554	L	71.8	Confident	87.7	Confident	115 Å²	115	59.8 Å²	59.8	60%	0.602	32%	0.318	S	S	*	.			trans	-77.9	108.6	173.9	-64	173.7	0	0	0	109.6	N552	N552-L554 PolarHBondContact O-N 3.41Å; N552-L554 WeakPolarHBondContact OD1-CB 3.44Å; N552-L554 PolarHBondContact OD1-N 3Å
555	F	82.4	Confident	87.8	Confident	10 Å²	10	60.2 Å²	60.2	4%	0.044	32%	0.319	C	S	.	.			trans	-112.5	112.1	165.4	-172.3	-124	0	0	0	107.4	M269 F272 V273 P553 V559 A574 Y575 Y578	M269-F555 HydrophobicContact CE-CD2 4.48Å; M269-F555 HydrophobicContact CE-CE1 4.44Å; M269-F555 HydrophobicContact CE-CE2 3.36Å; M269-F555 HydrophobicContact CE-CZ 3.36Å; M269-F555 HydrophobicContact CG-CE1 4.32Å; M269-F555 HydrophobicContact CG-CZ 3.97Å; M269-F555 HydrophobicContact SD-CZ 4.47Å; F272-F555 HydrophobicContact CD1-CD1 4.06Å; F272-F555 AromaticContact CD1-CE1 3.73Å; F272-F555 HydrophobicContact CD1-CE1 3.73Å; F272-F555 AromaticContact CE1-CD1 3.69Å; F272-F555 HydrophobicContact CE1-CD1 3.69Å; F272-F555 AromaticContact CE1-CE1 3.68Å; F272-F555 HydrophobicContact CE1-CE1 3.68Å; V273-F555 HydrophobicContact CG2-CD1 3.9Å; V273-F555 HydrophobicContact CG2-CE1 4.13Å; P553-F555 PolarHBondContact O-N 3.1Å; F555-V559 HydrophobicContact CD2-CB 4.25Å; F555-V559 HydrophobicContact CD2-CG1 4.13Å; F555-V559 HydrophobicContact CD2-CG2 4.08Å; F555-V559 HydrophobicContact CE2-CB 4.26Å; F555-V559 HydrophobicContact CE2-CG1 4.09Å; F555-A574 HydrophobicContact CB-CB 4.06Å; F555-A574 HydrophobicContact CD1-CB 4.31Å; F555-A574 HydrophobicContact CG-CB 4.31Å; F555-Y575 AromaticContact CD2-CD2 3.95Å; F555-Y575 HydrophobicContact CD2-CD2 3.95Å; F555-Y575 AromaticContact CE2-CD2 3.32Å; F555-Y575 HydrophobicContact CE2-CD2 3.32Å; F555-Y575 AromaticContact CE2-CE2 3.93Å; F555-Y575 HydrophobicContact CE2-CE2 3.93Å; F555-Y575 HydrophobicContact CE2-CG 4.04Å; F555-Y575 HydrophobicContact CZ-CD2 4.17Å; F555-Y578 HydrophobicContact CE1-CD1 4.47Å; F555-Y578 HydrophobicContact CE1-CG 4.34Å; F555-Y578 HydrophobicContact CZ-CD1 4.29Å
556	D	86.4	Confident	88	Confident	54 Å²	54	62.3 Å²	62.3	29%	0.289	33%	0.333	S	S	.	.			trans	-130.4	-172	-177.1	64.1	51	0	0	0	111.5	D558 V559	D556-D558 PolarHBondContact OD1-N 2.85Å; D556-V559 WeakPolarHBondContact O-CG2 3.48Å; D556-V559 PolarHBondContact OD1-N 2.85Å
557	N	86.6	Confident	88.1	Confident	59 Å²	59	66.9 Å²	66.9	32%	0.316	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.3	-175.1	-75	-68	0	0	0	114.3	S270 V559	S270-N557 WeakPolarHBondContact CA-OD1 3.24Å; S270-N557 WeakPolarHBondContact CB-OD1 3.37Å; S270-N557 PolarHBondContact OG-OD1 2.86Å; N557-V559 VanDerWaalsContact C-N 3.34Å
558	D	87.3	Confident	88	Confident	154 Å²	154	73 Å²	73	82%	0.824	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.5	-178.5	-61.1	-37.7	0	0	0	111.6	D556	D556-D558 PolarHBondContact OD1-N 2.85Å
559	V	89.4	Confident	88.1	Confident	20 Å²	20	77 Å²	77	12%	0.121	39%	0.389	C	S	.	.	S	Bend	trans	-67.5	129	176.4	-172.3	0	0	0	0	110.7	M269 F555 D556 N557 W565 Y575	M269-V559 HydrophobicContact CE-CB 4.17Å; F555-V559 HydrophobicContact CD2-CB 4.25Å; F555-V559 HydrophobicContact CD2-CG1 4.13Å; F555-V559 HydrophobicContact CD2-CG2 4.08Å; F555-V559 HydrophobicContact CE2-CB 4.26Å; F555-V559 HydrophobicContact CE2-CG1 4.09Å; D556-V559 WeakPolarHBondContact O-CG2 3.48Å; D556-V559 PolarHBondContact OD1-N 2.85Å; N557-V559 VanDerWaalsContact C-N 3.34Å; V559-W565 HydrophobicContact CG1-CE3 4.21Å; V559-W565 HydrophobicContact CG1-CZ3 3.69Å; V559-Y575 HydrophobicContact CG1-CD2 3.96Å; V559-Y575 HydrophobicContact CG1-CE2 3.74Å
560	P	92.6	Very high	88.3	Confident	22 Å²	22	75.4 Å²	75.4	14%	0.143	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64.1	150.4	-174.5	23.7	-33.9	0	0	0	113.6	E564 W565 Y567 Y575	P560-E564 HydrophobicContact CB-CB 3.82Å; P560-W565 HydrophobicContact CG-CE3 3.91Å; P560-W565 HydrophobicContact CG-CZ3 4.47Å; P560-Y567 HydrophobicContact CG-CE2 3.7Å; P560-Y575 WeakPolarHBondContact O-CE2 3.18Å; P560-Y575 PolarHBondContact O-OH 2.91Å
561	R	94.9	Very high	88.7	Confident	63 Å²	63	69 Å²	69	24%	0.238	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71.3	161	177.8	-53.7	-59	167.7	144.9	-10.5	110.9	N247 M269 E563 E564 W565	N247-R561 HydrophobicContact CB-CG 4.29Å; M269-R561 PolarHBondContact SD-NH1 3.15Å; R561-E563 PolarHBondContact O-N 3.42Å; R561-E564 WeakPolarHBondContact CB-OE2 3.33Å; R561-E564 PolarHBondContact N-OE2 3.32Å; R561-E564 CarbonylContact O-C 3.52Å; R561-E564 WeakPolarHBondContact O-CA 3.45Å; R561-E564 WeakPolarHBondContact O-CB 3.34Å; R561-E564 PolarHBondContact O-N 2.68Å; R561-W565 PolarHBondContact O-N 2.93Å
562	P	96.1	Very high	89	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28	-174	-34.8	42.3	0	0	0	115.3	N247 S506 F507 Q508 L511 E564 Y575 Y579	N247-P562 WeakPolarHBondContact O-CD 3.4Å; S506-P562 WeakPolarHBondContact CB-O 3.39Å; F507-P562 HydrophobicContact CB-CB 4.21Å; F507-P562 HydrophobicContact CD1-CB 3.98Å; F507-P562 HydrophobicContact CD1-CG 4.2Å; F507-P562 PolarHBondContact N-O 2.97Å; F507-P562 VanDerWaalsContact N-O 3.09Å; Q508-P562 HydrophobicContact CB-CB 4.12Å; Q508-P562 PolarHBondContact N-O 3.24Å; L511-P562 HydrophobicContact CD1-CB 3.74Å; L511-P562 HydrophobicContact CD1-CG 3.68Å; P562-E564 VanDerWaalsContact C-N 3.32Å; P562-Y575 WeakPolarHBondContact CA-OH 3.25Å; P562-Y575 WeakPolarHBondContact CD-OH 3.33Å; P562-Y575 HydrophobicContact CG-CE1 4.01Å; P562-Y575 WeakPolarHBondContact CG-OH 3.35Å; P562-Y575 VanDerWaalsContact N-OH 3.08Å; P562-Y579 VanDerWaalsContact CD-CZ 3.48Å; P562-Y579 WeakPolarHBondContact CD-OH 3.43Å; P562-Y579 HydrophobicContact CG-CD1 4.01Å; P562-Y579 HydrophobicContact CG-CD2 3.93Å; P562-Y579 HydrophobicContact CG-CE1 3.74Å; P562-Y579 HydrophobicContact CG-CE2 3.65Å; P562-Y579 HydrophobicContact CG-CG 4.11Å
563	E	95.4	Very high	89.7	Confident	94 Å²	94	62.1 Å²	62.1	44%	0.439	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-35.8	174.1	-65.5	168.9	-120.2	0	0	111.7	N247 S506 Q508 R561	N247-E563 PolarHBondContact N-OE1 3Å; S506-E563 WeakPolarHBondContact CB-O 3.37Å; Q508-E563 HydrophobicContact CB-CG 3.91Å; Q508-E563 HydrophobicContact CG-CG 3.81Å; R561-E563 PolarHBondContact O-N 3.42Å
564	E	94.9	Very high	90.9	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-26.2	-176.6	-55.9	172.7	128.1	0	0	112.8	P560 R561 P562 T566	P560-E564 HydrophobicContact CB-CB 3.82Å; R561-E564 WeakPolarHBondContact CB-OE2 3.33Å; R561-E564 PolarHBondContact N-OE2 3.32Å; R561-E564 CarbonylContact O-C 3.52Å; R561-E564 WeakPolarHBondContact O-CA 3.45Å; R561-E564 WeakPolarHBondContact O-CB 3.34Å; R561-E564 PolarHBondContact O-N 2.68Å; P562-E564 VanDerWaalsContact C-N 3.32Å; E564-T566 VanDerWaalsContact C-N 3.28Å; E564-T566 WeakPolarHBondContact O-CB 3.28Å; E564-T566 WeakPolarHBondContact O-CG2 3.29Å; E564-T566 PolarHBondContact O-N 2.72Å; E564-T566 PolarHBondContact O-OG1 2.95Å
565	W	94.8	Very high	92	Very high	18 Å²	18	54.9 Å²	54.9	7%	0.068	27%	0.269	C	S	.	.			trans	-63.9	90	176.1	-167.8	-68.9	0	0	0	109.8	F495 S506 F507 V559 P560 R561 Y567 E569 P571 Y575	F495-W565 AromaticContact CE1-CD1 3.5Å; F495-W565 AromaticContact CE1-NE1 3.64Å; F495-W565 AromaticContact CZ-CD1 3.9Å; S506-W565 WeakPolarHBondContact CA-O 3.23Å; S506-W565 WeakPolarHBondContact CB-O 3.47Å; F507-W565 HydrophobicContact CB-CB 4.09Å; F507-W565 HydrophobicContact CB-CG 4.41Å; F507-W565 PolarHBondContact N-O 3.43Å; V559-W565 HydrophobicContact CG1-CE3 4.21Å; V559-W565 HydrophobicContact CG1-CZ3 3.69Å; P560-W565 HydrophobicContact CG-CE3 3.91Å; P560-W565 HydrophobicContact CG-CZ3 4.47Å; R561-W565 PolarHBondContact O-N 2.93Å; W565-Y567 HydrophobicContact CD2-CD2 4.33Å; W565-Y567 HydrophobicContact CZ2-CD2 4.25Å; W565-E569 PolarHBondContact NE1-O 2.74Å; W565-P571 HydrophobicContact CD2-CB 4.44Å; W565-P571 HydrophobicContact CD2-CG 4Å; W565-P571 HydrophobicContact CG-CG 4.27Å; W565-P571 HydrophobicContact CH2-CB 4.36Å; W565-P571 HydrophobicContact CZ2-CB 4.17Å; W565-P571 HydrophobicContact CZ2-CG 4.1Å; W565-Y575 HydrophobicContact CE3-CD2 4.15Å; W565-Y575 AromaticContact CE3-CE2 3.61Å; W565-Y575 HydrophobicContact CE3-CE2 3.61Å; W565-Y575 AromaticContact CE3-CZ 3.97Å; W565-Y575 HydrophobicContact CZ3-CD2 4.1Å; W565-Y575 AromaticContact CZ3-CE2 3.96Å; W565-Y575 HydrophobicContact CZ3-CE2 3.96Å
566	T	94.3	Very high	92.7	Very high	69 Å²	69	54.7 Å²	54.7	42%	0.423	27%	0.268	S	S	.	.			trans	-124.8	8.9	-172.2	49.1	0	0	0	0	111.6	K499 E564	K499-T566 WeakPolarHBondContact CE-O 3.22Å; K499-T566 PolarHBondContact NZ-O 2.95Å; E564-T566 VanDerWaalsContact C-N 3.28Å; E564-T566 WeakPolarHBondContact O-CB 3.28Å; E564-T566 WeakPolarHBondContact O-CG2 3.29Å; E564-T566 PolarHBondContact O-N 2.72Å; E564-T566 PolarHBondContact O-OG1 2.95Å
567	Y	91.5	Very high	93.2	Very high	123 Å²	123	52.1 Å²	52.1	48%	0.482	25%	0.254	S	S	.	.	S	Bend	trans	-68.6	164.9	173.9	-49	-36.6	0	0	0	111.6	F495 K499 P560 W565	F495-Y567 WeakPolarHBondContact CE1-O 3.49Å; K499-Y567 VanDerWaalsContact CE-O 3.23Å; K499-Y567 WeakPolarHBondContact CE-O 3.44Å; K499-Y567 WeakPolarHBondContact CG-O 3.45Å; P560-Y567 HydrophobicContact CG-CE2 3.7Å; W565-Y567 HydrophobicContact CD2-CD2 4.33Å; W565-Y567 HydrophobicContact CZ2-CD2 4.25Å
568	E	89.1	Confident	93.8	Very high	142 Å²	142	49.5 Å²	49.5	66%	0.664	24%	0.24	S	C	*	.	S	Bend	trans	-83.1	-15.5	173.2	-60	-168.8	157.1	0	0	112.7
569	E	89.8	Confident	94.3	Very high	146 Å²	146	42.2 Å²	42.2	68%	0.682	20%	0.201	S	C	*	.	S	Bend	trans	-73.5	144.9	175.9	-63.6	-178.2	-176.4	0	0	112.1	W565	W565-E569 PolarHBondContact NE1-O 2.74Å
570	N	91.9	Very high	94.6	Very high	44 Å²	44	41.5 Å²	41.5	24%	0.235	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-70.9	135.5	175.2	-154.4	13	0	0	0	109.8	R493 F495 D496 Y576	R493-N570 PolarHBondContact O-ND2 3.24Å; F495-N570 PolarHBondContact N-OD1 3.11Å; D496-N570 HydrophobicContact CB-CB 3.94Å; N570-Y576 PolarHBondContact OD1-OH 3.41Å
571	P	93.7	Very high	94.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.019	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-57.7	145.5	168.8	-20.7	30	0	0	0	111.3	F495 F507 W565 Y575 Y576	F495-P571 HydrophobicContact CD1-CG 4.47Å; F507-P571 HydrophobicContact CD2-CG 3.71Å; F507-P571 HydrophobicContact CE2-CG 3.95Å; F507-P571 HydrophobicContact CG-CG 4.17Å; W565-P571 HydrophobicContact CD2-CB 4.44Å; W565-P571 HydrophobicContact CD2-CG 4Å; W565-P571 HydrophobicContact CG-CG 4.27Å; W565-P571 HydrophobicContact CH2-CB 4.36Å; W565-P571 HydrophobicContact CZ2-CB 4.17Å; W565-P571 HydrophobicContact CZ2-CG 4.1Å; P571-Y575 HydrophobicContact CB-CD1 3.69Å; P571-Y575 HydrophobicContact CB-CD2 4.28Å; P571-Y575 HydrophobicContact CB-CE1 4.34Å; P571-Y575 HydrophobicContact CB-CG 3.68Å; P571-Y575 HydrophobicContact CG-CD1 4.31Å; P571-Y576 HydrophobicContact CB-CD2 4.17Å; P571-Y576 HydrophobicContact CB-CE2 3.97Å; P571-Y576 HydrophobicContact CG-CE2 4.2Å; P571-Y576 WeakPolarHBondContact O-CD2 3.27Å; P571-Y576 VanDerWaalsContact O-CE2 3.25Å; P571-Y576 WeakPolarHBondContact O-CE2 3.43Å
572	P	94.3	Very high	95.1	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.065	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-68.1	159.4	178.3	28.7	-34.5	0	0	0	111.5	E551 N552 A574 Y575 Y576	E551-P572 WeakPolarHBondContact OE2-CA 3.48Å; N552-P572 VanDerWaalsContact O-CB 3.23Å; N552-P572 WeakPolarHBondContact O-CB 3.45Å; P572-A574 PolarHBondContact O-N 2.99Å; P572-A574 VanDerWaalsContact O-N 3.12Å; P572-Y575 WeakPolarHBondContact O-CA 3.39Å; P572-Y575 WeakPolarHBondContact O-CB 3.29Å; P572-Y575 PolarHBondContact O-N 3.21Å; P572-Y576 PolarHBondContact O-N 2.9Å
573	Y	95.6	Very high	95.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-47.1	-44.7	-179.7	176.4	-85.6	0	0	0	113.1	E551 Y575 Y576 I577 H604 C605 H613 C616	E551-Y573 WeakPolarHBondContact OE2-CB 3.22Å; E551-Y573 PolarHBondContact OE2-N 3.06Å; Y573-Y575 VanDerWaalsContact C-N 3.25Å; Y573-Y575 PolarHBondContact O-N 2.85Å; Y573-Y576 PolarHBondContact O-N 2.93Å; Y573-I577 HydrophobicContact CD1-CG1 3.83Å; Y573-I577 HydrophobicContact CD2-CG1 4.44Å; Y573-I577 HydrophobicContact CE1-CB 4.48Å; Y573-I577 HydrophobicContact CE1-CD1 4.27Å; Y573-I577 HydrophobicContact CE1-CG1 3.39Å; Y573-I577 HydrophobicContact CE2-CD1 4.08Å; Y573-I577 HydrophobicContact CE2-CG1 4.06Å; Y573-I577 HydrophobicContact CG-CG1 4.32Å; Y573-I577 VanDerWaalsContact CZ-CG1 3.5Å; Y573-I577 WeakPolarHBondContact O-CG1 3.47Å; Y573-I577 PolarHBondContact O-N 3.46Å; Y573-H604 WeakPolarHBondContact CE2-O 3.31Å; Y573-H604 PolarHBondContact OH-O 2.73Å; Y573-H604 VanDerWaalsContact OH-O 3.06Å; Y573-C605 WeakPolarHBondContact OH-CB 3.49Å; Y573-C605 PolarHBondContact OH-SG 3.46Å; Y573-H613 VanDerWaalsContact CB-CD2 3.49Å; Y573-H613 WeakPolarHBondContact CB-CD2 3.37Å; Y573-H613 WeakPolarHBondContact CB-NE2 3.47Å; Y573-H613 HydrophobicContact CD1-CB 3.89Å; Y573-H613 AromaticContact CD1-CD2 3.42Å; Y573-H613 VanDerWaalsContact CD1-CD2 3.42Å; Y573-H613 WeakPolarHBondContact CD1-CD2 3.43Å; Y573-H613 AromaticContact CD1-CG 3.64Å; Y573-H613 AromaticContact CD2-CE1 4Å; Y573-H613 AromaticContact CD2-ND1 3.96Å; Y573-H613 HydrophobicContact CE1-CB 3.7Å; Y573-H613 AromaticContact CE1-CG 3.95Å; Y573-H613 HydrophobicContact CG-CB 4.39Å; Y573-H613 AromaticContact CG-CD2 3.43Å; Y573-H613 VanDerWaalsContact CG-CD2 3.43Å; Y573-H613 AromaticContact CG-CE1 3.91Å; Y573-H613 AromaticContact CG-CG 3.71Å; Y573-H613 AromaticContact CG-NE2 3.56Å; Y573-C616 HydrophobicContact CD1-CB 4.42Å; Y573-C616 HydrophobicContact CE1-CB 3.94Å
574	A	95.8	Very high	95.3	Very high	6 Å²	6	33 Å²	33	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-36.1	178.6	0	0	0	0	0	113.1	M276 F555 P572 Y578	M276-A574 HydrophobicContact CE-CB 4.03Å; M276-A574 HydrophobicContact SD-CB 4.11Å; F555-A574 HydrophobicContact CB-CB 4.06Å; F555-A574 HydrophobicContact CD1-CB 4.31Å; F555-A574 HydrophobicContact CG-CB 4.31Å; P572-A574 PolarHBondContact O-N 2.99Å; P572-A574 VanDerWaalsContact O-N 3.12Å; A574-Y578 VanDerWaalsContact O-CB 3.27Å; A574-Y578 WeakPolarHBondContact O-CB 3.46Å; A574-Y578 PolarHBondContact O-N 3.18Å
575	Y	95.9	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-48.6	176.8	-161.2	-73.4	0	0	0	111	F507 F555 V559 P560 P562 W565 P571 P572 Y573 Y579	F507-Y575 HydrophobicContact CD1-CD1 4.11Å; F507-Y575 AromaticContact CD1-CE1 3.57Å; F507-Y575 HydrophobicContact CD1-CE1 3.57Å; F507-Y575 AromaticContact CE1-CD1 3.92Å; F507-Y575 HydrophobicContact CE1-CD1 3.92Å; F507-Y575 AromaticContact CE1-CE1 3.84Å; F507-Y575 HydrophobicContact CE1-CE1 3.84Å; F507-Y575 HydrophobicContact CG-CE1 4.24Å; F507-Y575 HydrophobicContact CZ-CD1 4.49Å; F555-Y575 AromaticContact CD2-CD2 3.95Å; F555-Y575 HydrophobicContact CD2-CD2 3.95Å; F555-Y575 AromaticContact CE2-CD2 3.32Å; F555-Y575 HydrophobicContact CE2-CD2 3.32Å; F555-Y575 AromaticContact CE2-CE2 3.93Å; F555-Y575 HydrophobicContact CE2-CE2 3.93Å; F555-Y575 HydrophobicContact CE2-CG 4.04Å; F555-Y575 HydrophobicContact CZ-CD2 4.17Å; V559-Y575 HydrophobicContact CG1-CD2 3.96Å; V559-Y575 HydrophobicContact CG1-CE2 3.74Å; P560-Y575 WeakPolarHBondContact O-CE2 3.18Å; P560-Y575 PolarHBondContact O-OH 2.91Å; P562-Y575 WeakPolarHBondContact CA-OH 3.25Å; P562-Y575 WeakPolarHBondContact CD-OH 3.33Å; P562-Y575 HydrophobicContact CG-CE1 4.01Å; P562-Y575 WeakPolarHBondContact CG-OH 3.35Å; P562-Y575 VanDerWaalsContact N-OH 3.08Å; W565-Y575 HydrophobicContact CE3-CD2 4.15Å; W565-Y575 AromaticContact CE3-CE2 3.61Å; W565-Y575 HydrophobicContact CE3-CE2 3.61Å; W565-Y575 AromaticContact CE3-CZ 3.97Å; W565-Y575 HydrophobicContact CZ3-CD2 4.1Å; W565-Y575 AromaticContact CZ3-CE2 3.96Å; W565-Y575 HydrophobicContact CZ3-CE2 3.96Å; P571-Y575 HydrophobicContact CB-CD1 3.69Å; P571-Y575 HydrophobicContact CB-CD2 4.28Å; P571-Y575 HydrophobicContact CB-CE1 4.34Å; P571-Y575 HydrophobicContact CB-CG 3.68Å; P571-Y575 HydrophobicContact CG-CD1 4.31Å; P572-Y575 WeakPolarHBondContact O-CA 3.39Å; P572-Y575 WeakPolarHBondContact O-CB 3.29Å; P572-Y575 PolarHBondContact O-N 3.21Å; Y573-Y575 VanDerWaalsContact C-N 3.25Å; Y573-Y575 PolarHBondContact O-N 2.85Å; Y575-Y579 AromaticContact CD1-CD2 3.56Å; Y575-Y579 HydrophobicContact CD1-CD2 3.56Å; Y575-Y579 AromaticContact CD1-CE2 3.89Å; Y575-Y579 HydrophobicContact CD1-CE2 3.89Å; Y575-Y579 AromaticContact CE1-CD2 3.44Å; Y575-Y579 HydrophobicContact CE1-CD2 3.44Å; Y575-Y579 VanDerWaalsContact CE1-CD2 3.44Å; Y575-Y579 AromaticContact CE1-CE2 3.47Å; Y575-Y579 HydrophobicContact CE1-CE2 3.47Å; Y575-Y579 VanDerWaalsContact CE1-CE2 3.47Å; Y575-Y579 HydrophobicContact CE2-CE2 4.14Å; Y575-Y579 HydrophobicContact CG-CD2 4.29Å; Y575-Y579 HydrophobicContact CG-CE2 4.38Å; Y575-Y579 AromaticContact CZ-CE2 3.61Å; Y575-Y579 WeakPolarHBondContact O-CD2 3.33Å; Y575-Y579 PolarHBondContact O-N 3.4Å; Y575-Y579 VanDerWaalsContact O-N 3.11Å
576	Y	96.3	Very high	95.6	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-50.4	176.2	-83.3	-91.2	0	0	0	111.4	R493 L494 F495 F507 N570 P571 P572 Y573 M580	R493-Y576 VanDerWaalsContact C-OH 3.25Å; R493-Y576 HydrophobicContact CB-CD1 4.42Å; R493-Y576 HydrophobicContact CB-CD2 4.31Å; R493-Y576 HydrophobicContact CB-CE1 4.04Å; R493-Y576 HydrophobicContact CB-CE2 3.92Å; R493-Y576 HydrophobicContact CG-CD1 3.92Å; R493-Y576 HydrophobicContact CG-CD2 4.06Å; R493-Y576 HydrophobicContact CG-CE1 4.05Å; R493-Y576 HydrophobicContact CG-CE2 4.17Å; R493-Y576 HydrophobicContact CG-CG 3.92Å; L494-Y576 PolarHBondContact N-OH 2.66Å; F495-Y576 VanDerWaalsContact CB-OH 3.29Å; F495-Y576 WeakPolarHBondContact CB-OH 3.47Å; F495-Y576 PolarHBondContact N-OH 2.79Å; F495-Y576 VanDerWaalsContact N-OH 3.15Å; F507-Y576 HydrophobicContact CE2-CD1 4.03Å; F507-Y576 AromaticContact CE2-CE1 3.5Å; F507-Y576 HydrophobicContact CE2-CE1 3.5Å; F507-Y576 HydrophobicContact CE2-CE2 4.25Å; F507-Y576 AromaticContact CE2-CZ 3.64Å; F507-Y576 AromaticContact CZ-CD1 3.68Å; F507-Y576 HydrophobicContact CZ-CD1 3.68Å; F507-Y576 AromaticContact CZ-CE1 3.67Å; F507-Y576 HydrophobicContact CZ-CE1 3.67Å; F507-Y576 HydrophobicContact CZ-CG 4.17Å; N570-Y576 PolarHBondContact OD1-OH 3.41Å; P571-Y576 HydrophobicContact CB-CD2 4.17Å; P571-Y576 HydrophobicContact CB-CE2 3.97Å; P571-Y576 HydrophobicContact CG-CE2 4.2Å; P571-Y576 WeakPolarHBondContact O-CD2 3.27Å; P571-Y576 VanDerWaalsContact O-CE2 3.25Å; P571-Y576 WeakPolarHBondContact O-CE2 3.43Å; P572-Y576 PolarHBondContact O-N 2.9Å; Y573-Y576 PolarHBondContact O-N 2.93Å; Y576-M580 VanDerWaalsContact O-CB 3.31Å; Y576-M580 WeakPolarHBondContact O-CB 3.35Å; Y576-M580 VanDerWaalsContact O-CG 3.25Å; Y576-M580 WeakPolarHBondContact O-CG 3.49Å; Y576-M580 PolarHBondContact O-N 2.86Å
577	I	97.5	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-41	-176.9	-54.9	-48.1	0	0	0	111.3	S543 Y573 M580 Y581 L601 P603 C616 M620	S543-I577 VanDerWaalsContact CB-CD1 3.45Å; Y573-I577 HydrophobicContact CD1-CG1 3.83Å; Y573-I577 HydrophobicContact CD2-CG1 4.44Å; Y573-I577 HydrophobicContact CE1-CB 4.48Å; Y573-I577 HydrophobicContact CE1-CD1 4.27Å; Y573-I577 HydrophobicContact CE1-CG1 3.39Å; Y573-I577 HydrophobicContact CE2-CD1 4.08Å; Y573-I577 HydrophobicContact CE2-CG1 4.06Å; Y573-I577 HydrophobicContact CG-CG1 4.32Å; Y573-I577 VanDerWaalsContact CZ-CG1 3.5Å; Y573-I577 WeakPolarHBondContact O-CG1 3.47Å; Y573-I577 PolarHBondContact O-N 3.46Å; I577-M580 PolarHBondContact O-N 3.23Å; I577-Y581 WeakPolarHBondContact O-CB 3.47Å; I577-Y581 PolarHBondContact O-N 3.17Å; I577-L601 HydrophobicContact CG2-CD2 3.95Å; I577-P603 HydrophobicContact CD1-CB 4.01Å; I577-C616 HydrophobicContact CB-CB 4.49Å; I577-C616 HydrophobicContact CG2-CB 4.42Å; I577-M620 HydrophobicContact CB-CE 4.04Å; I577-M620 HydrophobicContact CG2-CB 4.27Å; I577-M620 HydrophobicContact CG2-CE 3.56Å; I577-M620 HydrophobicContact CG2-SD 4.26Å
578	Y	97.8	Very high	96	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-51.6	176.2	168.7	-97.9	0	0	0	112.1	P267 M269 F272 F555 A574 M580 Y581 A582	P267-Y578 PolarHBondContact O-OH 3.25Å; M269-Y578 HydrophobicContact CB-CE1 4.12Å; M269-Y578 HydrophobicContact CG-CE1 4.29Å; M269-Y578 PolarHBondContact N-OH 3.13Å; F272-Y578 HydrophobicContact CB-CD2 3.82Å; F272-Y578 HydrophobicContact CB-CE2 3.96Å; F272-Y578 AromaticContact CD1-CD2 3.48Å; F272-Y578 HydrophobicContact CD1-CD2 3.48Å; F272-Y578 VanDerWaalsContact CD1-CD2 3.48Å; F272-Y578 HydrophobicContact CD1-CE2 4.35Å; F272-Y578 AromaticContact CD1-CG 3.87Å; F272-Y578 HydrophobicContact CD1-CG 3.87Å; F272-Y578 HydrophobicContact CE1-CD2 4.26Å; F272-Y578 HydrophobicContact CE1-CG 4.31Å; F272-Y578 AromaticContact CG-CD2 3.71Å; F272-Y578 HydrophobicContact CG-CD2 3.71Å; F272-Y578 HydrophobicContact CG-CE2 4.37Å; F555-Y578 HydrophobicContact CE1-CD1 4.47Å; F555-Y578 HydrophobicContact CE1-CG 4.34Å; F555-Y578 HydrophobicContact CZ-CD1 4.29Å; A574-Y578 VanDerWaalsContact O-CB 3.27Å; A574-Y578 WeakPolarHBondContact O-CB 3.46Å; A574-Y578 PolarHBondContact O-N 3.18Å; Y578-M580 PolarHBondContact O-N 2.8Å; Y578-Y581 PolarHBondContact O-N 3.24Å; Y578-A582 WeakPolarHBondContact O-CB 3.42Å; Y578-A582 PolarHBondContact O-N 3.22Å
579	Y	97.8	Very high	96.4	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-72.1	-27.3	-179.4	-76.8	-69	0	0	0	113.3	N247 G248 V249 L511 P562 Y575 N583	N247-Y579 VanDerWaalsContact O-CE1 3.28Å; N247-Y579 WeakPolarHBondContact O-CE1 3.5Å; N247-Y579 PolarHBondContact O-OH 3.12Å; G248-Y579 WeakPolarHBondContact O-CD1 3.29Å; V249-Y579 HydrophobicContact CG2-CD1 4.36Å; V249-Y579 HydrophobicContact CG2-CE1 4.31Å; L511-Y579 HydrophobicContact CD1-CD1 4.14Å; L511-Y579 HydrophobicContact CD1-CG 4.05Å; P562-Y579 VanDerWaalsContact CD-CZ 3.48Å; P562-Y579 WeakPolarHBondContact CD-OH 3.43Å; P562-Y579 HydrophobicContact CG-CD1 4.01Å; P562-Y579 HydrophobicContact CG-CD2 3.93Å; P562-Y579 HydrophobicContact CG-CE1 3.74Å; P562-Y579 HydrophobicContact CG-CE2 3.65Å; P562-Y579 HydrophobicContact CG-CG 4.11Å; Y575-Y579 AromaticContact CD1-CD2 3.56Å; Y575-Y579 HydrophobicContact CD1-CD2 3.56Å; Y575-Y579 AromaticContact CD1-CE2 3.89Å; Y575-Y579 HydrophobicContact CD1-CE2 3.89Å; Y575-Y579 AromaticContact CE1-CD2 3.44Å; Y575-Y579 HydrophobicContact CE1-CD2 3.44Å; Y575-Y579 VanDerWaalsContact CE1-CD2 3.44Å; Y575-Y579 AromaticContact CE1-CE2 3.47Å; Y575-Y579 HydrophobicContact CE1-CE2 3.47Å; Y575-Y579 VanDerWaalsContact CE1-CE2 3.47Å; Y575-Y579 HydrophobicContact CE2-CE2 4.14Å; Y575-Y579 HydrophobicContact CG-CD2 4.29Å; Y575-Y579 HydrophobicContact CG-CE2 4.38Å; Y575-Y579 AromaticContact CZ-CE2 3.61Å; Y575-Y579 WeakPolarHBondContact O-CD2 3.33Å; Y575-Y579 PolarHBondContact O-N 3.4Å; Y575-Y579 VanDerWaalsContact O-N 3.11Å; Y579-N583 WeakPolarHBondContact O-CB 3.5Å; Y579-N583 PolarHBondContact O-N 2.7Å; Y579-N583 PolarHBondContact O-ND2 3.39Å
580	M	97.8	Very high	96.7	Very high	5 Å²	5	5.9 Å²	5.9	3%	0.025	3%	0.03	C	C	.	.	H	α-helix	trans	-66.7	-45.9	168.1	-76.2	175.2	57.2	0	0	111.5	I491 F515 F541 Y576 I577 Y578 M584 L601	I491-M580 HydrophobicContact CB-CE 4.4Å; I491-M580 HydrophobicContact CB-SD 4.34Å; I491-M580 HydrophobicContact CD1-CE 3.94Å; I491-M580 HydrophobicContact CD1-SD 4.29Å; I491-M580 HydrophobicContact CG1-CE 4.39Å; F515-M580 HydrophobicContact CZ-CB 4.45Å; F515-M580 HydrophobicContact CZ-CG 4.48Å; F541-M580 HydrophobicContact CB-CE 3.99Å; Y576-M580 VanDerWaalsContact O-CB 3.31Å; Y576-M580 WeakPolarHBondContact O-CB 3.35Å; Y576-M580 VanDerWaalsContact O-CG 3.25Å; Y576-M580 WeakPolarHBondContact O-CG 3.49Å; Y576-M580 PolarHBondContact O-N 2.86Å; I577-M580 PolarHBondContact O-N 3.23Å; Y578-M580 PolarHBondContact O-N 2.8Å; M580-M584 WeakPolarHBondContact O-CB 3.44Å; M580-M584 PolarHBondContact O-N 2.89Å; M580-L601 HydrophobicContact CE-CD1 3.91Å
581	Y	98.4	Very high	96.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64.6	-47.8	-178.9	172.8	-92.9	0	0	0	112.8	Y170 S174 P267 I577 Y578 M584 T585 L601 M620	Y170-Y581 WeakPolarHBondContact CA-OH 3.39Å; Y170-Y581 WeakPolarHBondContact CB-OH 3.12Å; Y170-Y581 AromaticContact CD1-CE1 3.92Å; Y170-Y581 HydrophobicContact CD1-CE1 3.92Å; Y170-Y581 AromaticContact CD1-CZ 3.81Å; Y170-Y581 HydrophobicContact CE1-CE1 4.42Å; Y170-Y581 PolarHBondContact O-OH 3.02Å; S174-Y581 WeakPolarHBondContact OG-CE2 3.41Å; S174-Y581 PolarHBondContact OG-OH 2.91Å; P267-Y581 HydrophobicContact CG-CD1 4.31Å; P267-Y581 HydrophobicContact CG-CE1 3.65Å; I577-Y581 WeakPolarHBondContact O-CB 3.47Å; I577-Y581 PolarHBondContact O-N 3.17Å; Y578-Y581 PolarHBondContact O-N 3.24Å; Y581-M584 PolarHBondContact O-N 3.17Å; Y581-T585 VanDerWaalsContact O-CB 3.31Å; Y581-T585 WeakPolarHBondContact O-CB 3.48Å; Y581-T585 PolarHBondContact O-N 3.47Å; Y581-T585 PolarHBondContact O-OG1 3.32Å; Y581-L601 HydrophobicContact CD2-CD2 4.06Å; Y581-L601 HydrophobicContact CG-CD2 4.39Å; Y581-M620 HydrophobicContact CD1-CG 3.93Å; Y581-M620 HydrophobicContact CD1-SD 3.94Å; Y581-M620 HydrophobicContact CD2-CB 3.5Å; Y581-M620 HydrophobicContact CD2-CG 3.8Å; Y581-M620 VanDerWaalsContact CD2-O 3.25Å; Y581-M620 WeakPolarHBondContact CD2-O 3.25Å; Y581-M620 HydrophobicContact CD2-SD 4.49Å; Y581-M620 HydrophobicContact CE1-CG 4.32Å; Y581-M620 HydrophobicContact CE2-CB 4.01Å; Y581-M620 HydrophobicContact CE2-CG 4.15Å; Y581-M620 WeakPolarHBondContact CE2-O 3.33Å; Y581-M620 HydrophobicContact CG-CB 3.79Å; Y581-M620 HydrophobicContact CG-CG 3.66Å; Y581-M620 HydrophobicContact CG-SD 3.79Å
582	A	98	Very high	96.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.2	-46.7	-179.1	0	0	0	0	0	111.5	V249 Y266 Y578 T585 V586	V249-A582 HydrophobicContact CG1-CB 4.45Å; V249-A582 HydrophobicContact CG2-CB 3.89Å; Y266-A582 HydrophobicContact CD2-CB 4.11Å; Y578-A582 WeakPolarHBondContact O-CB 3.42Å; Y578-A582 PolarHBondContact O-N 3.22Å; A582-T585 WeakPolarHBondContact O-CB 3.49Å; A582-T585 PolarHBondContact O-N 2.58Å; A582-V586 PolarHBondContact O-N 2.92Å; A582-V586 VanDerWaalsContact O-N 3.07Å
583	N	98.3	Very high	96.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.3	-37.9	178.2	-73.3	-61.1	0	0	0	113	G248 V249 F250 F515 Y579 T585 L587	G248-N583 PolarHBondContact O-ND2 3.27Å; V249-N583 WeakPolarHBondContact CA-OD1 3.27Å; F250-N583 VanDerWaalsContact CD2-OD1 3.31Å; F250-N583 WeakPolarHBondContact CD2-OD1 3.34Å; F250-N583 PolarHBondContact N-OD1 3.19Å; F515-N583 HydrophobicContact CB-CB 4.48Å; F515-N583 HydrophobicContact CD1-CB 3.76Å; F515-N583 HydrophobicContact CD2-CB 3.66Å; F515-N583 HydrophobicContact CE1-CB 3.8Å; F515-N583 HydrophobicContact CE2-CB 3.7Å; F515-N583 HydrophobicContact CG-CB 3.7Å; F515-N583 HydrophobicContact CZ-CB 3.78Å; Y579-N583 WeakPolarHBondContact O-CB 3.5Å; Y579-N583 PolarHBondContact O-N 2.7Å; Y579-N583 PolarHBondContact O-ND2 3.39Å; N583-T585 VanDerWaalsContact C-N 3.3Å; N583-T585 PolarHBondContact O-N 3.15Å; N583-L587 WeakPolarHBondContact O-CB 3.39Å; N583-L587 PolarHBondContact O-N 3.38Å
584	M	98.1	Very high	96.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-39.6	171	-176	-167.8	78.7	0	0	111.4	Q176 F541 M580 Y581 L587 N588 F599 V600 L601	Q176-M584 HydrophobicContact CG-CE 4.4Å; F541-M584 HydrophobicContact CD2-CB 4.44Å; F541-M584 HydrophobicContact CD2-CG 3.94Å; F541-M584 HydrophobicContact CD2-SD 3.93Å; F541-M584 HydrophobicContact CE2-CG 4.05Å; M580-M584 WeakPolarHBondContact O-CB 3.44Å; M580-M584 PolarHBondContact O-N 2.89Å; Y581-M584 PolarHBondContact O-N 3.17Å; M584-L587 PolarHBondContact O-N 3.31Å; M584-N588 VanDerWaalsContact O-CB 3.26Å; M584-N588 WeakPolarHBondContact O-CB 3.45Å; M584-N588 VanDerWaalsContact O-CG 3.22Å; M584-N588 PolarHBondContact O-N 2.77Å; M584-F599 HydrophobicContact CG-CB 4.38Å; M584-F599 HydrophobicContact SD-CB 4.49Å; M584-V600 VanDerWaalsContact SD-C 3.54Å; M584-L601 HydrophobicContact CE-CB 3.78Å; M584-L601 HydrophobicContact SD-CB 3.83Å
585	T	97.9	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-52	179	-63.8	0	0	0	0	111.2	M173 S174 E265 Y581 A582 N583 L587 N588 K589	M173-T585 WeakPolarHBondContact O-CG2 2.96Å; S174-T585 WeakPolarHBondContact CB-OG1 3.35Å; E265-T585 WeakPolarHBondContact O-CG2 3.49Å; Y581-T585 VanDerWaalsContact O-CB 3.31Å; Y581-T585 WeakPolarHBondContact O-CB 3.48Å; Y581-T585 PolarHBondContact O-N 3.47Å; Y581-T585 PolarHBondContact O-OG1 3.32Å; A582-T585 WeakPolarHBondContact O-CB 3.49Å; A582-T585 PolarHBondContact O-N 2.58Å; N583-T585 VanDerWaalsContact C-N 3.3Å; N583-T585 PolarHBondContact O-N 3.15Å; T585-L587 VanDerWaalsContact C-N 3.34Å; T585-L587 PolarHBondContact O-N 2.86Å; T585-N588 PolarHBondContact O-N 3.43Å; T585-K589 WeakPolarHBondContact O-CG 3.41Å; T585-K589 PolarHBondContact O-N 3.03Å
586	V	97.8	Very high	96.4	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-40.3	177.8	-178.9	0	0	0	0	111.5	V249 F250 I252 Y264 Y266 F519 A582 N588 K589 F590	V249-V586 HydrophobicContact CG1-CG2 4.12Å; F250-V586 WeakPolarHBondContact O-CG1 3.32Å; I252-V586 HydrophobicContact CD1-CG1 4.33Å; Y264-V586 HydrophobicContact CD2-CG1 3.82Å; Y264-V586 HydrophobicContact CG-CG1 4.38Å; Y266-V586 HydrophobicContact CD1-CG2 3.56Å; Y266-V586 HydrophobicContact CE1-CG2 4.08Å; Y266-V586 HydrophobicContact CG-CG2 4.17Å; F519-V586 HydrophobicContact CE1-CG1 4.15Å; F519-V586 HydrophobicContact CZ-CB 4.32Å; F519-V586 HydrophobicContact CZ-CG1 4.25Å; A582-V586 PolarHBondContact O-N 2.92Å; A582-V586 VanDerWaalsContact O-N 3.07Å; V586-N588 PolarHBondContact O-N 3.04Å; V586-K589 PolarHBondContact O-N 3.37Å; V586-F590 WeakPolarHBondContact O-CB 3.49Å; V586-F590 PolarHBondContact O-N 3.25Å
587	L	97.8	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-41.8	174.5	-179	63.5	0	0	0	112	F515 L518 F519 N583 M584 T585 F590 R591 F599	F515-L587 HydrophobicContact CD1-CD2 4.39Å; L518-L587 HydrophobicContact CB-CD1 4.1Å; L518-L587 HydrophobicContact CB-CD2 3.7Å; L518-L587 HydrophobicContact CD1-CD2 3.67Å; L518-L587 HydrophobicContact CG-CD2 4.36Å; F519-L587 HydrophobicContact CD1-CD1 3.83Å; F519-L587 HydrophobicContact CD2-CD1 4.31Å; F519-L587 HydrophobicContact CE1-CB 3.91Å; F519-L587 HydrophobicContact CE1-CD1 3.93Å; F519-L587 HydrophobicContact CE2-CB 4.15Å; F519-L587 HydrophobicContact CE2-CD1 4.39Å; F519-L587 HydrophobicContact CG-CD1 4.02Å; F519-L587 HydrophobicContact CZ-CB 3.63Å; F519-L587 HydrophobicContact CZ-CD1 4.21Å; F519-L587 HydrophobicContact CZ-CG 4.49Å; N583-L587 WeakPolarHBondContact O-CB 3.39Å; N583-L587 PolarHBondContact O-N 3.38Å; M584-L587 PolarHBondContact O-N 3.31Å; T585-L587 VanDerWaalsContact C-N 3.34Å; T585-L587 PolarHBondContact O-N 2.86Å; L587-F590 PolarHBondContact O-N 3.47Å; L587-R591 HydrophobicContact CD1-CG 4.15Å; L587-R591 HydrophobicContact CG-CG 4.39Å; L587-R591 WeakPolarHBondContact O-CB 3.26Å; L587-R591 VanDerWaalsContact O-CG 3.24Å; L587-R591 WeakPolarHBondContact O-CG 3.46Å; L587-R591 PolarHBondContact O-N 2.85Å; L587-F599 HydrophobicContact CD2-CD2 4.14Å; L587-F599 HydrophobicContact CD2-CE2 4Å
588	N	97.4	Very high	96.2	Very high	2 Å²	2	23 Å²	23	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-48.7	177.7	-83.8	-7.5	0	0	0	111.4	S174 M584 T585 V586 F590 R591 Q592 T598 F599	S174-N588 PolarHBondContact O-ND2 3.23Å; M584-N588 VanDerWaalsContact O-CB 3.26Å; M584-N588 WeakPolarHBondContact O-CB 3.45Å; M584-N588 VanDerWaalsContact O-CG 3.22Å; M584-N588 PolarHBondContact O-N 2.77Å; T585-N588 PolarHBondContact O-N 3.43Å; V586-N588 PolarHBondContact O-N 3.04Å; N588-F590 VanDerWaalsContact C-N 3.31Å; N588-F590 PolarHBondContact O-N 3.2Å; N588-R591 PolarHBondContact O-N 2.96Å; N588-Q592 VanDerWaalsContact O-CB 3.3Å; N588-Q592 WeakPolarHBondContact O-CB 3.45Å; N588-Q592 PolarHBondContact O-N 2.97Å; N588-T598 HydrophobicContact CB-CG2 3.93Å; N588-T598 WeakPolarHBondContact OD1-CB 3.4Å; N588-F599 PolarHBondContact ND2-O 3.13Å; N588-F599 PolarHBondContact OD1-N 2.86Å; N588-F599 PolarHBondContact OD1-O 3.24Å
589	K	96.2	Very high	96.2	Very high	36 Å²	36	22.8 Å²	22.8	16%	0.157	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-39.3	178.7	-60.5	-65.6	178.1	-170.2	0	112	M173 D175 Y264 T585 V586 Q592 S593	M173-K589 WeakPolarHBondContact O-CE 3.48Å; M173-K589 PolarHBondContact O-NZ 2.89Å; M173-K589 VanDerWaalsContact O-NZ 3.1Å; D175-K589 IonicContact OD1-NZ 3.85Å; D175-K589 PolarHBondContact OD1-NZ 2.9Å; D175-K589 WeakPolarHBondContact OD2-CD 3.42Å; D175-K589 VanDerWaalsContact OD2-CE 3.26Å; D175-K589 WeakPolarHBondContact OD2-CE 3.5Å; D175-K589 IonicContact OD2-NZ 2.65Å; D175-K589 PolarHBondContact OD2-NZ 3.13Å; Y264-K589 HydrophobicContact CD1-CB 3.22Å; Y264-K589 HydrophobicContact CD1-CG 4.01Å; Y264-K589 HydrophobicContact CE1-CB 3.58Å; Y264-K589 HydrophobicContact CG-CB 3.8Å; Y264-K589 HydrophobicContact CG-CG 4.47Å; T585-K589 WeakPolarHBondContact O-CG 3.41Å; T585-K589 PolarHBondContact O-N 3.03Å; V586-K589 PolarHBondContact O-N 3.37Å; K589-Q592 PolarHBondContact O-N 2.8Å; K589-S593 PolarHBondContact O-N 2.58Å; K589-S593 PolarHBondContact O-OG 2.61Å
590	F	96	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.7	-40.4	175.2	-179.8	-138.6	0	0	0	113.1	F241 I252 Y264 F519 T522 A523 V586 L587 N588 S593 R594	F241-F590 AromaticContact CD2-CE2 3.66Å; F241-F590 HydrophobicContact CD2-CE2 3.66Å; F241-F590 AromaticContact CD2-CZ 3.56Å; F241-F590 HydrophobicContact CD2-CZ 3.56Å; F241-F590 AromaticContact CE2-CE2 3.52Å; F241-F590 HydrophobicContact CE2-CE2 3.52Å; F241-F590 AromaticContact CE2-CZ 3.87Å; F241-F590 HydrophobicContact CE2-CZ 3.87Å; F241-F590 HydrophobicContact CG-CE2 4.45Å; F241-F590 HydrophobicContact CG-CZ 4.36Å; F241-F590 HydrophobicContact CZ-CE2 4.25Å; I252-F590 HydrophobicContact CD1-CB 3.68Å; I252-F590 HydrophobicContact CD1-CD1 3.64Å; I252-F590 HydrophobicContact CD1-CD2 3.99Å; I252-F590 HydrophobicContact CD1-CE1 4.21Å; I252-F590 HydrophobicContact CD1-CG 3.5Å; I252-F590 VanDerWaalsContact CD1-CG 3.5Å; Y264-F590 HydrophobicContact CE2-CB 4.17Å; F519-F590 AromaticContact CD1-CD1 3.82Å; F519-F590 HydrophobicContact CD1-CD1 3.82Å; F519-F590 HydrophobicContact CD1-CE1 4.35Å; F519-F590 HydrophobicContact CE1-CD1 4.35Å; T522-F590 HydrophobicContact CG2-CD1 3.42Å; T522-F590 VanDerWaalsContact CG2-CD1 3.42Å; T522-F590 HydrophobicContact CG2-CD2 4.49Å; T522-F590 HydrophobicContact CG2-CE1 3.47Å; T522-F590 VanDerWaalsContact CG2-CE1 3.47Å; T522-F590 HydrophobicContact CG2-CG 3.98Å; T522-F590 HydrophobicContact CG2-CZ 4.04Å; A523-F590 HydrophobicContact CB-CE1 4.19Å; A523-F590 HydrophobicContact CB-CZ 3.89Å; V586-F590 WeakPolarHBondContact O-CB 3.49Å; V586-F590 PolarHBondContact O-N 3.25Å; L587-F590 PolarHBondContact O-N 3.47Å; N588-F590 VanDerWaalsContact C-N 3.31Å; N588-F590 PolarHBondContact O-N 3.2Å; F590-S593 PolarHBondContact O-OG 3.15Å; F590-R594 HydrophobicContact CD2-CG 4.33Å; F590-R594 HydrophobicContact CE2-CG 4.05Å; F590-R594 WeakPolarHBondContact O-CG 3.35Å; F590-R594 PolarHBondContact O-N 3.25Å
591	R	95.4	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-39.6	173.9	-74	-179.8	74.1	72.9	1.2	111.4	T522 L587 N588 R594 N595 M596 N597	T522-R591 HydrophobicContact CG2-CB 4.33Å; T522-R591 HydrophobicContact CG2-CG 3.46Å; T522-R591 VanDerWaalsContact CG2-CG 3.46Å; T522-R591 VanDerWaalsContact OG1-CG 3.32Å; T522-R591 WeakPolarHBondContact OG1-CG 3.15Å; T522-R591 PolarHBondContact OG1-NH1 2.72Å; L587-R591 HydrophobicContact CD1-CG 4.15Å; L587-R591 HydrophobicContact CG-CG 4.39Å; L587-R591 WeakPolarHBondContact O-CB 3.26Å; L587-R591 VanDerWaalsContact O-CG 3.24Å; L587-R591 WeakPolarHBondContact O-CG 3.46Å; L587-R591 PolarHBondContact O-N 2.85Å; N588-R591 PolarHBondContact O-N 2.96Å; R591-R594 CarbonylContact O-C 3.47Å; R591-R594 PolarHBondContact O-N 3.43Å; R591-N595 PolarHBondContact O-N 3.07Å; R591-N595 VanDerWaalsContact O-N 3.11Å; R591-M596 HydrophobicContact CB-CB 4.06Å; R591-M596 HydrophobicContact CG-CB 4.43Å; R591-M596 PolarHBondContact NH1-SD 2.86Å; R591-M596 VanDerWaalsContact NH1-SD 3.42Å; R591-M596 PolarHBondContact O-N 3.02Å; R591-N597 PolarHBondContact NE-O 2.67Å; R591-N597 PolarHBondContact NH2-O 2.93Å; R591-N597 PolarHBondContact NH2-OD1 3.3Å
592	Q	94.3	Very high	96.2	Very high	87 Å²	87	24.2 Å²	24.2	41%	0.407	13%	0.132	S	C	.	.	H	α-helix	trans	-64.1	-46.1	176.3	-173.4	-174.7	70.3	0	0	111.9	N588 K589 R594 N595 T598	N588-Q592 VanDerWaalsContact O-CB 3.3Å; N588-Q592 WeakPolarHBondContact O-CB 3.45Å; N588-Q592 PolarHBondContact O-N 2.97Å; K589-Q592 PolarHBondContact O-N 2.8Å; Q592-R594 PolarHBondContact O-N 2.82Å; Q592-N595 PolarHBondContact O-N 3.45Å; Q592-T598 HydrophobicContact CB-CG2 4.42Å
593	S	93.3	Very high	96.2	Very high	68 Å²	68	24.2 Å²	24.2	48%	0.476	13%	0.132	S	C	.	.	H	α-helix	trans	-63.3	-24.7	175.3	59	0	0	0	0	112.8	Y264 K589 F590	Y264-S593 PolarHBondContact OH-OG 2.95Å; K589-S593 PolarHBondContact O-N 2.58Å; K589-S593 PolarHBondContact O-OG 2.61Å; F590-S593 PolarHBondContact O-OG 3.15Å
594	R	92.5	Very high	96.2	Very high	16 Å²	16	25 Å²	25	6%	0.06	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.7	171.4	-66.3	-68.5	-68.4	-86	-15.1	115.1	N237 E239 T522 A523 F590 R591 Q592 M596	N237-R594 PolarHBondContact O-NH2 2.96Å; E239-R594 VanDerWaalsContact CD-NH1 3.33Å; E239-R594 IonicContact OE1-NE 3.62Å; E239-R594 WeakPolarHBondContact OE2-CD 3.41Å; E239-R594 IonicContact OE2-CZ 3.52Å; E239-R594 VanDerWaalsContact OE2-CZ 3.24Å; E239-R594 IonicContact OE2-NE 3.62Å; E239-R594 PolarHBondContact OE2-NE 2.76Å; E239-R594 IonicContact OE2-NH1 2.72Å; E239-R594 PolarHBondContact OE2-NH1 3.29Å; T522-R594 HydrophobicContact CG2-CG 4.45Å; T522-R594 PolarHBondContact O-NH2 3.06Å; A523-R594 PolarHBondContact O-NH1 3.03Å; A523-R594 PolarHBondContact O-NH2 3.44Å; F590-R594 HydrophobicContact CD2-CG 4.33Å; F590-R594 HydrophobicContact CE2-CG 4.05Å; F590-R594 WeakPolarHBondContact O-CG 3.35Å; F590-R594 PolarHBondContact O-N 3.25Å; R591-R594 CarbonylContact O-C 3.47Å; R591-R594 PolarHBondContact O-N 3.43Å; Q592-R594 PolarHBondContact O-N 2.82Å; R594-M596 HydrophobicContact CB-CE 4.47Å; R594-M596 HydrophobicContact CB-CG 4.23Å; R594-M596 PolarHBondContact O-N 3.12Å
595	N	92.4	Very high	96.1	Very high	149 Å²	149	25 Å²	25	80%	0.797	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	28.8	-178.3	-61.1	-88.9	0	0	0	114.4	R591 Q592	R591-N595 PolarHBondContact O-N 3.07Å; R591-N595 VanDerWaalsContact O-N 3.11Å; Q592-N595 PolarHBondContact O-N 3.45Å
596	M	94.3	Very high	96	Very high	15 Å²	15	25 Å²	25	7%	0.074	14%	0.135	C	C	.	.			trans	-94.6	163.3	173.9	-59.2	-170.4	-176	0	0	111.6	P236 T522 P525 R591 R594	P236-M596 HydrophobicContact CB-CE 4.25Å; P236-M596 HydrophobicContact CG-CE 3.82Å; P236-M596 HydrophobicContact CG-CG 4.32Å; T522-M596 HydrophobicContact CG2-SD 4Å; T522-M596 VanDerWaalsContact O-CE 3.26Å; T522-M596 WeakPolarHBondContact O-CE 3.44Å; P525-M596 HydrophobicContact CB-CE 4.13Å; P525-M596 HydrophobicContact CG-CE 3.89Å; R591-M596 HydrophobicContact CB-CB 4.06Å; R591-M596 HydrophobicContact CG-CB 4.43Å; R591-M596 PolarHBondContact NH1-SD 2.86Å; R591-M596 VanDerWaalsContact NH1-SD 3.42Å; R591-M596 PolarHBondContact O-N 3.02Å; R594-M596 HydrophobicContact CB-CE 4.47Å; R594-M596 HydrophobicContact CB-CG 4.23Å; R594-M596 PolarHBondContact O-N 3.12Å
597	N	93.2	Very high	95.9	Very high	38 Å²	38	25.5 Å²	25.5	20%	0.203	14%	0.138	C	C	.	.			trans	-66.7	144.7	175	71.3	-63.5	0	0	0	112.7	L535 Q536 V538 R591	L535-N597 PolarHBondContact O-ND2 2.91Å; Q536-N597 PolarHBondContact NE2-OD1 3.3Å; Q536-N597 PolarHBondContact OE1-OD1 2.8Å; V538-N597 PolarHBondContact O-ND2 2.82Å; R591-N597 PolarHBondContact NE-O 2.67Å; R591-N597 PolarHBondContact NH2-O 2.93Å; R591-N597 PolarHBondContact NH2-OD1 3.3Å
598	T	96	Very high	95.6	Very high	56 Å²	56	26.1 Å²	26.1	34%	0.344	14%	0.142	S	C	.	.			trans	-97.9	174.7	175.2	51.8	0	0	0	0	112	N588 Q592	N588-T598 HydrophobicContact CB-CG2 3.93Å; N588-T598 WeakPolarHBondContact OD1-CB 3.4Å; Q592-T598 HydrophobicContact CB-CG2 4.42Å
599	F	97.6	Very high	95.3	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.158	C	C	.	.			trans	-126.3	148.9	-177.6	-50.6	-62.7	0	0	0	111.3	L535 V538 F541 M584 L587 N588	L535-F599 HydrophobicContact CB-CZ 4.29Å; L535-F599 HydrophobicContact CD1-CZ 4.43Å; L535-F599 HydrophobicContact CD2-CE1 4.25Å; L535-F599 HydrophobicContact CD2-CZ 3.87Å; L535-F599 HydrophobicContact CG-CZ 4.41Å; V538-F599 HydrophobicContact CB-CE1 4.09Å; V538-F599 HydrophobicContact CG1-CD1 4.01Å; V538-F599 HydrophobicContact CG1-CE1 3.93Å; F541-F599 HydrophobicContact CD2-CB 4.02Å; F541-F599 HydrophobicContact CE2-CB 3.68Å; F541-F599 AromaticContact CE2-CD2 3.76Å; F541-F599 HydrophobicContact CE2-CD2 3.76Å; F541-F599 AromaticContact CE2-CG 3.83Å; F541-F599 HydrophobicContact CE2-CG 3.83Å; F541-F599 HydrophobicContact CZ-CD2 4.15Å; F541-F599 HydrophobicContact CZ-CG 4.37Å; M584-F599 HydrophobicContact CG-CB 4.38Å; M584-F599 HydrophobicContact SD-CB 4.49Å; L587-F599 HydrophobicContact CD2-CD2 4.14Å; L587-F599 HydrophobicContact CD2-CE2 4Å; N588-F599 PolarHBondContact ND2-O 3.13Å; N588-F599 PolarHBondContact OD1-N 2.86Å; N588-F599 PolarHBondContact OD1-O 3.24Å
600	V	97.6	Very high	95.2	Very high	31 Å²	31	27.3 Å²	27.3	19%	0.188	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	154.7	172.8	-61.9	0	0	0	0	112.5	Q176 I539 G540 F541 M584 R602 E622	Q176-V600 HydrophobicContact CG-CG1 4.28Å; I539-V600 WeakPolarHBondContact O-CG2 3.26Å; I539-V600 PolarHBondContact O-N 3.45Å; I539-V600 VanDerWaalsContact O-N 3.1Å; G540-V600 CarbonylContact C-O 3.54Å; G540-V600 WeakPolarHBondContact CA-O 3.31Å; F541-V600 PolarHBondContact N-O 3.08Å; M584-V600 VanDerWaalsContact SD-C 3.54Å; V600-R602 HydrophobicContact CG2-CG 3.91Å; V600-E622 HydrophobicContact CB-CB 3.84Å; V600-E622 HydrophobicContact CB-CG 4.03Å; V600-E622 HydrophobicContact CG1-CB 4.33Å; V600-E622 HydrophobicContact CG1-CG 4.16Å; V600-E622 HydrophobicContact CG2-CB 4.34Å; V600-E622 HydrophobicContact CG2-CG 4.23Å
601	L	98.4	Very high	95	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.3	177	-177.1	54.7	0	0	0	109.8	F541 I577 M580 Y581 M584 M620 A621 E622	F541-L601 HydrophobicContact CB-CD1 4.35Å; I577-L601 HydrophobicContact CG2-CD2 3.95Å; M580-L601 HydrophobicContact CE-CD1 3.91Å; Y581-L601 HydrophobicContact CD2-CD2 4.06Å; Y581-L601 HydrophobicContact CG-CD2 4.39Å; M584-L601 HydrophobicContact CE-CB 3.78Å; M584-L601 HydrophobicContact SD-CB 3.83Å; L601-M620 HydrophobicContact CD2-CB 4.3Å; L601-A621 CarbonylContact O-C 3.58Å; L601-A621 WeakPolarHBondContact O-CA 3.29Å; L601-A621 WeakPolarHBondContact O-CB 3.27Å; L601-E622 PolarHBondContact O-N 3.32Å
602	R	97.8	Very high	95	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.015	19%	0.186	C	C	.	.			trans	-134.7	70.2	-175.5	-68.7	179.6	56.9	-164.9	-8.9	111.4	T334 E455 L488 F541 D542 V600 E622 N623	T334-R602 PolarHBondContact O-NH2 2.86Å; E455-R602 IonicContact OE1-NH1 2.91Å; E455-R602 PolarHBondContact OE1-NH1 3.29Å; E455-R602 IonicContact OE2-CZ 3.12Å; E455-R602 VanDerWaalsContact OE2-CZ 3.24Å; E455-R602 IonicContact OE2-NH1 3.74Å; E455-R602 PolarHBondContact OE2-NH1 2.87Å; E455-R602 IonicContact OE2-NH2 2.98Å; E455-R602 PolarHBondContact OE2-NH2 2.92Å; L488-R602 HydrophobicContact CD2-CB 3.89Å; F541-R602 PolarHBondContact O-N 2.89Å; D542-R602 VanDerWaalsContact CG-O 3.24Å; V600-R602 HydrophobicContact CG2-CG 3.91Å; R602-E622 HydrophobicContact CG-CB 4.12Å; R602-E622 HydrophobicContact CG-CG 4.46Å; R602-N623 WeakPolarHBondContact CA-O 3.42Å; R602-N623 HydrophobicContact CG-CB 4.05Å
603	P	98.1	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.			trans	-76.1	158	-172.4	33.6	-35.1	0	0	0	112.6	D542 I577 C605 A621 S625	D542-P603 VanDerWaalsContact OD1-C 3.3Å; D542-P603 WeakPolarHBondContact OD1-CA 3.37Å; I577-P603 HydrophobicContact CD1-CB 4.01Å; P603-C605 HydrophobicContact CG-CB 4.41Å; P603-C605 PolarHBondContact O-N 2.99Å; P603-A621 HydrophobicContact CG-CB 4.05Å; P603-S625 PolarHBondContact O-N 2.81Å
604	H	98.1	Very high	95.3	Very high	16 Å²	16	25 Å²	25	7%	0.074	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	128.7	152	-65.9	38.3	0	0	0	108	H335 H337 D542 S543 V544 Y573 H626	H335-H604 AromaticContact CE1-CD2 3.99Å; H335-H604 AromaticContact CE1-CE1 3.33Å; H335-H604 PolarHBondContact CE1-CE1 3.47Å; H335-H604 AromaticContact CE1-NE2 3.24Å; H335-H604 PolarHBondContact CE1-NE2 3.34Å; H335-H604 AromaticContact NE2-CE1 3.06Å; H335-H604 PolarHBondContact NE2-CE1 2.93Å; H335-H604 AromaticContact NE2-NE2 3.32Å; H335-H604 PolarHBondContact NE2-NE2 3.29Å; H337-H604 AromaticContact CE1-CE1 3.67Å; H337-H604 AromaticContact CE1-NE2 3.49Å; H337-H604 PolarHBondContact CE1-NE2 3.2Å; H337-H604 AromaticContact NE2-NE2 3.48Å; H337-H604 PolarHBondContact NE2-NE2 3.14Å; D542-H604 VanDerWaalsContact CG-ND1 3.32Å; D542-H604 IonicContact OD1-CE1 2.72Å; D542-H604 IonicContact OD1-CG 2.76Å; D542-H604 PolarHBondContact OD1-N 2.9Å; D542-H604 IonicContact OD1-ND1 2.82Å; D542-H604 PolarHBondContact OD1-ND1 2.92Å; D542-H604 IonicContact OD2-CE1 3.64Å; D542-H604 PolarHBondContact OD2-CE1 3.19Å; D542-H604 IonicContact OD2-ND1 2.66Å; D542-H604 PolarHBondContact OD2-ND1 3.28Å; S543-H604 PolarHBondContact O-N 3.31Å; V544-H604 WeakPolarHBondContact CG1-CE1 3.35Å; Y573-H604 WeakPolarHBondContact CE2-O 3.31Å; Y573-H604 PolarHBondContact OH-O 2.73Å; Y573-H604 VanDerWaalsContact OH-O 3.06Å; H604-H626 AromaticContact CD2-CD2 3.95Å; H604-H626 AromaticContact CD2-NE2 3.26Å; H604-H626 PolarHBondContact CD2-NE2 3.39Å; H604-H626 VanDerWaalsContact CD2-NE2 3.26Å; H604-H626 AromaticContact CG-NE2 3.78Å; H604-H626 AromaticContact NE2-NE2 3.75Å
605	C	96.8	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	110.4	-172.9	-164	0	0	0	0	112.8	E547 Y573 P603 H613 L614 I624 S625 G627	E547-C605 VanDerWaalsContact OE1-CA 3.22Å; E547-C605 WeakPolarHBondContact OE1-CA 3.37Å; E547-C605 PolarHBondContact OE1-N 2.76Å; E547-C605 VanDerWaalsContact OE1-N 3.09Å; Y573-C605 WeakPolarHBondContact OH-CB 3.49Å; Y573-C605 PolarHBondContact OH-SG 3.46Å; P603-C605 HydrophobicContact CG-CB 4.41Å; P603-C605 PolarHBondContact O-N 2.99Å; C605-H613 PolarHBondContact SG-O 2.68Å; C605-L614 WeakPolarHBondContact O-CD2 3.49Å; C605-I624 HydrophobicContact CB-CB 3.86Å; C605-I624 HydrophobicContact CB-CD1 4.45Å; C605-I624 HydrophobicContact CB-CG2 3.68Å; C605-S625 PolarHBondContact N-O 2.84Å; C605-S625 VanDerWaalsContact N-O 3.13Å; C605-G627 WeakPolarHBondContact O-CA 3.39Å; C605-G627 PolarHBondContact O-N 3.44Å
606	G	95.8	Very high	95.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	70.6	36.1	171.3	0	0	0	0	0	113.2	E547 G627 L628 L629	E547-G606 PolarHBondContact OE1-N 3.34Å; E547-G606 WeakPolarHBondContact OE2-CA 3.32Å; E547-G606 PolarHBondContact OE2-N 3.1Å; G606-G627 CarbonylContact O-C 3.6Å; G606-L628 PolarHBondContact O-N 3.46Å; G606-L629 WeakPolarHBondContact O-CB 3.45Å; G606-L629 WeakPolarHBondContact O-CG 3.44Å; G606-L629 PolarHBondContact O-N 2.95Å
607	E	94.9	Very high	95.9	Very high	16 Å²	16	16.4 Å²	16.4	8%	0.075	10%	0.1	C	C	.	.	S	Bend	trans	-64.7	-47.3	153.4	-169.1	167.3	-137.6	0	0	109.9	E547 H626 L628 N654 F658	E547-E607 WeakPolarHBondContact OE2-CA 3.31Å; E547-E607 PolarHBondContact OE2-N 3.07Å; E607-H626 HydrophobicContact CB-CB 3.56Å; E607-H626 HydrophobicContact CG-CB 3.95Å; E607-H626 IonicContact OE1-CE1 2.86Å; E607-H626 IonicContact OE1-CG 3.69Å; E607-H626 IonicContact OE1-ND1 2.89Å; E607-H626 PolarHBondContact OE1-ND1 3.43Å; E607-H626 IonicContact OE2-CE1 2.95Å; E607-H626 IonicContact OE2-CG 3.7Å; E607-H626 IonicContact OE2-ND1 3.23Å; E607-H626 PolarHBondContact OE2-ND1 3.48Å; E607-L628 HydrophobicContact CG-CD1 3.78Å; E607-L628 HydrophobicContact CG-CG 4.37Å; E607-N654 PolarHBondContact OE1-ND2 3.02Å; E607-F658 HydrophobicContact CG-CD2 3.56Å; E607-F658 HydrophobicContact CG-CE2 3.79Å; E607-F658 HydrophobicContact CG-CG 4.28Å; E607-F658 WeakPolarHBondContact OE1-CD2 3.15Å; E607-F658 WeakPolarHBondContact OE2-CE2 3.31Å
608	A	91.9	Very high	96.1	Very high	12 Å²	12	14.6 Å²	14.6	10%	0.099	9%	0.091	C	C	.	.	S	Bend	trans	-135.9	-158.3	177.1	0	0	0	0	0	110.3	E547 L629 F658	E547-A608 HydrophobicContact CB-CB 3.96Å; E547-A608 PolarHBondContact OE2-N 3.47Å; A608-L629 WeakPolarHBondContact O-CD1 3.31Å; A608-F658 HydrophobicContact CB-CD1 4.29Å; A608-F658 HydrophobicContact CB-CE1 3.95Å; A608-F658 HydrophobicContact CB-CZ 4.37Å
609	G	91.7	Very high	96.2	Very high	33 Å²	33	12 Å²	12	34%	0.34	7%	0.074	S	C	.	.	S	Bend	trans	72.6	-168.5	173.2	0	0	0	0	0	117.1	E547 L629	E547-G609 WeakPolarHBondContact O-CA 3.18Å; E547-G609 PolarHBondContact O-N 3.24Å; E547-G609 VanDerWaalsContact O-N 3.16Å; G609-L629 WeakPolarHBondContact O-CD1 3.43Å
610	P	92.9	Very high	96.3	Very high	31 Å²	31	11.9 Å²	11.9	20%	0.201	7%	0.074	C	C	.	.			trans	-67.3	145.8	173.2	-21.6	34.1	0	0	0	113.8	E551 P553 Q612 H613	E551-P610 HydrophobicContact CG-CG 4.14Å; P553-P610 HydrophobicContact CB-CB 4.14Å; P553-P610 HydrophobicContact CB-CG 4.19Å; P610-Q612 HydrophobicContact CB-CB 4.39Å; P610-Q612 VanDerWaalsContact CB-OE1 3.28Å; P610-Q612 PolarHBondContact O-N 2.86Å; P610-Q612 VanDerWaalsContact O-N 3.09Å; P610-H613 PolarHBondContact O-N 2.92Å; P610-H613 VanDerWaalsContact O-N 3.11Å
611	V	92.9	Very high	96.3	Very high	47 Å²	47	10.4 Å²	10.4	29%	0.285	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	177.8	-63.2	0	0	0	0	113.6	H613 L614 V633	V611-H613 PolarHBondContact O-N 2.89Å; V611-L614 PolarHBondContact O-N 2.95Å; V611-V633 HydrophobicContact CB-CG2 3.95Å; V611-V633 HydrophobicContact CG1-CG2 3.61Å
612	Q	93.9	Very high	96.2	Very high	55 Å²	55	11.6 Å²	11.6	26%	0.257	7%	0.071	S	C	.	.	H	α-helix	trans	-57.7	-26.7	172.5	-73.6	80.3	-11.3	0	0	112.8	M276 P553 P610 L614 V615 C616	M276-Q612 HydrophobicContact CE-CB 3.83Å; M276-Q612 HydrophobicContact CE-CG 4.02Å; P553-Q612 HydrophobicContact CB-CG 4.28Å; P610-Q612 HydrophobicContact CB-CB 4.39Å; P610-Q612 VanDerWaalsContact CB-OE1 3.28Å; P610-Q612 PolarHBondContact O-N 2.86Å; P610-Q612 VanDerWaalsContact O-N 3.09Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 3.38Å; Q612-V615 WeakPolarHBondContact O-CB 3.27Å; Q612-V615 PolarHBondContact O-N 3.1Å; Q612-C616 PolarHBondContact O-N 3.19Å; Q612-C616 PolarHBondContact O-SG 3.45Å
613	H	96.3	Very high	96.2	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.019	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-47.5	174.8	-65.3	-175.4	0	0	0	110.6	E551 Y573 C605 P610 V611 V615 C616 G617	E551-H613 IonicContact OE1-CD2 2.87Å; E551-H613 IonicContact OE1-CE1 3.52Å; E551-H613 IonicContact OE1-NE2 3.65Å; E551-H613 PolarHBondContact OE1-NE2 3.36Å; E551-H613 IonicContact OE2-NE2 3.79Å; Y573-H613 VanDerWaalsContact CB-CD2 3.49Å; Y573-H613 WeakPolarHBondContact CB-CD2 3.37Å; Y573-H613 WeakPolarHBondContact CB-NE2 3.47Å; Y573-H613 HydrophobicContact CD1-CB 3.89Å; Y573-H613 AromaticContact CD1-CD2 3.42Å; Y573-H613 VanDerWaalsContact CD1-CD2 3.42Å; Y573-H613 WeakPolarHBondContact CD1-CD2 3.43Å; Y573-H613 AromaticContact CD1-CG 3.64Å; Y573-H613 AromaticContact CD2-CE1 4Å; Y573-H613 AromaticContact CD2-ND1 3.96Å; Y573-H613 HydrophobicContact CE1-CB 3.7Å; Y573-H613 AromaticContact CE1-CG 3.95Å; Y573-H613 HydrophobicContact CG-CB 4.39Å; Y573-H613 AromaticContact CG-CD2 3.43Å; Y573-H613 VanDerWaalsContact CG-CD2 3.43Å; Y573-H613 AromaticContact CG-CE1 3.91Å; Y573-H613 AromaticContact CG-CG 3.71Å; Y573-H613 AromaticContact CG-NE2 3.56Å; C605-H613 PolarHBondContact SG-O 2.68Å; P610-H613 PolarHBondContact O-N 2.92Å; P610-H613 VanDerWaalsContact O-N 3.11Å; V611-H613 PolarHBondContact O-N 2.89Å; H613-V615 VanDerWaalsContact C-N 3.25Å; H613-V615 PolarHBondContact O-N 2.86Å; H613-C616 WeakPolarHBondContact O-CB 3.5Å; H613-C616 PolarHBondContact O-N 3.1Å; H613-C616 VanDerWaalsContact O-N 3.07Å; H613-G617 PolarHBondContact O-N 2.81Å
614	L	97.6	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-21.7	-179.7	-66.5	168.7	0	0	0	113.6	C605 V611 Q612 F618 I624 L629 L630 L636 Y640	C605-L614 WeakPolarHBondContact O-CD2 3.49Å; V611-L614 PolarHBondContact O-N 2.95Å; Q612-L614 VanDerWaalsContact C-N 3.32Å; Q612-L614 PolarHBondContact O-N 3.38Å; L614-F618 WeakPolarHBondContact O-CB 3.5Å; L614-F618 PolarHBondContact O-N 3.07Å; L614-I624 HydrophobicContact CD2-CD1 3.87Å; L614-L629 HydrophobicContact CD1-CB 3.7Å; L614-L630 HydrophobicContact CB-CD2 4.41Å; L614-L630 HydrophobicContact CD1-CB 4.48Å; L614-L630 HydrophobicContact CD1-CD2 3.85Å; L614-L630 HydrophobicContact CD1-CG 3.79Å; L614-L630 HydrophobicContact CD2-CD1 4.39Å; L614-L630 HydrophobicContact CD2-CD2 4.15Å; L614-L630 HydrophobicContact CD2-CG 3.91Å; L614-L630 HydrophobicContact CG-CD2 4.38Å; L614-L630 HydrophobicContact CG-CG 4.43Å; L614-L636 HydrophobicContact CB-CD1 3.56Å; L614-Y640 PolarHBondContact O-OH 3.24Å
615	V	97.3	Very high	96.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.4	-47.2	169.5	177.5	0	0	0	0	110.2	M276 M279 I283 Q612 H613 G617 F618 L619 L636	M276-V615 HydrophobicContact CG-CG1 4.06Å; M279-V615 HydrophobicContact CB-CG1 3.49Å; M279-V615 VanDerWaalsContact CB-CG1 3.49Å; M279-V615 HydrophobicContact CG-CG1 4.12Å; I283-V615 HydrophobicContact CD1-CG2 3.41Å; I283-V615 VanDerWaalsContact CD1-CG2 3.41Å; Q612-V615 WeakPolarHBondContact O-CB 3.27Å; Q612-V615 PolarHBondContact O-N 3.1Å; H613-V615 VanDerWaalsContact C-N 3.25Å; H613-V615 PolarHBondContact O-N 2.86Å; V615-G617 VanDerWaalsContact C-N 3.31Å; V615-G617 PolarHBondContact O-N 3.26Å; V615-F618 PolarHBondContact O-N 3.15Å; V615-F618 VanDerWaalsContact O-N 3.17Å; V615-L619 HydrophobicContact CG1-CD1 4.18Å; V615-L619 PolarHBondContact O-N 2.96Å; V615-L636 HydrophobicContact CG2-CD1 4.07Å
616	C	97.2	Very high	96.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-41.1	176.3	-56	0	0	0	0	110.8	Y573 I577 Q612 H613 L619 M620	Y573-C616 HydrophobicContact CD1-CB 4.42Å; Y573-C616 HydrophobicContact CE1-CB 3.94Å; I577-C616 HydrophobicContact CB-CB 4.49Å; I577-C616 HydrophobicContact CG2-CB 4.42Å; Q612-C616 PolarHBondContact O-N 3.19Å; Q612-C616 PolarHBondContact O-SG 3.45Å; H613-C616 WeakPolarHBondContact O-CB 3.5Å; H613-C616 PolarHBondContact O-N 3.1Å; H613-C616 VanDerWaalsContact O-N 3.07Å; C616-L619 PolarHBondContact O-N 2.84Å; C616-M620 HydrophobicContact CB-CE 3.69Å; C616-M620 WeakPolarHBondContact O-CB 3.45Å; C616-M620 PolarHBondContact O-N 2.75Å
617	G	97.8	Very high	96.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61	-43.5	171.6	0	0	0	0	0	113	H613 V615 L619 A621	H613-G617 PolarHBondContact O-N 2.81Å; V615-G617 VanDerWaalsContact C-N 3.31Å; V615-G617 PolarHBondContact O-N 3.26Å; G617-L619 PolarHBondContact O-N 3.09Å; G617-A621 WeakPolarHBondContact O-CB 3.14Å; G617-A621 PolarHBondContact O-N 2.78Å; G617-A621 VanDerWaalsContact O-N 3.11Å
618	F	98.6	Very high	96.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-40.3	177.9	179.4	-104.9	0	0	0	113	A163 R167 M279 L614 V615 L636 L639 Y640 T643 I645	A163-F618 HydrophobicContact CB-CE1 4.24Å; A163-F618 WeakPolarHBondContact O-CE1 3.42Å; R167-F618 HydrophobicContact CB-CD1 4.49Å; R167-F618 HydrophobicContact CB-CE1 3.9Å; R167-F618 HydrophobicContact CB-CE2 4.29Å; R167-F618 HydrophobicContact CB-CZ 3.78Å; R167-F618 VanDerWaalsContact CD-O 3.25Å; R167-F618 WeakPolarHBondContact CD-O 3.4Å; R167-F618 VanDerWaalsContact CG-O 3.27Å; R167-F618 WeakPolarHBondContact CG-O 3.3Å; R167-F618 PolarHBondContact NH1-O 3.48Å; M279-F618 HydrophobicContact CE-CD1 3.53Å; M279-F618 HydrophobicContact CE-CE1 3.73Å; M279-F618 HydrophobicContact CE-CG 4.4Å; M279-F618 HydrophobicContact SD-CD1 4.11Å; M279-F618 HydrophobicContact SD-CE1 3.99Å; L614-F618 WeakPolarHBondContact O-CB 3.5Å; L614-F618 PolarHBondContact O-N 3.07Å; V615-F618 PolarHBondContact O-N 3.15Å; V615-F618 VanDerWaalsContact O-N 3.17Å; F618-L636 HydrophobicContact CB-CD2 4.2Å; F618-L636 HydrophobicContact CG-CD2 4.3Å; F618-L639 HydrophobicContact CD2-CB 4.25Å; F618-L639 HydrophobicContact CE1-CD1 4.37Å; F618-L639 HydrophobicContact CE2-CB 3.66Å; F618-L639 HydrophobicContact CZ-CB 3.99Å; F618-L639 HydrophobicContact CZ-CD1 4.18Å; F618-L639 HydrophobicContact CZ-CD2 4.17Å; F618-L639 HydrophobicContact CZ-CG 4.36Å; F618-Y640 HydrophobicContact CB-CE2 3.78Å; F618-Y640 AromaticContact CD2-CD2 3.98Å; F618-Y640 HydrophobicContact CD2-CD2 3.98Å; F618-Y640 HydrophobicContact CD2-CE2 4Å; F618-Y640 HydrophobicContact CG-CE2 4.34Å; F618-Y640 PolarHBondContact N-OH 3.22Å; F618-T643 HydrophobicContact CE2-CG2 4Å; F618-T643 HydrophobicContact CZ-CG2 4.32Å; F618-I645 HydrophobicContact CD2-CD1 3.79Å; F618-I645 HydrophobicContact CE2-CD1 4.27Å
619	L	98.2	Very high	96.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-78.1	-47.8	-179.9	-67.4	174.1	0	0	0	112.2	L166 Y170 M171 F272 D275 M279 V615 C616 G617	L166-L619 HydrophobicContact CB-CD2 3.84Å; Y170-L619 WeakPolarHBondContact CB-O 3.27Å; Y170-L619 HydrophobicContact CD1-CB 4.33Å; Y170-L619 HydrophobicContact CE1-CB 4.42Å; M171-L619 WeakPolarHBondContact CE-O 3.31Å; F272-L619 HydrophobicContact CD2-CD1 4.32Å; F272-L619 HydrophobicContact CE2-CD1 3.97Å; D275-L619 HydrophobicContact CB-CD1 4.3Å; M279-L619 HydrophobicContact CG-CD1 4.21Å; M279-L619 HydrophobicContact CG-CD2 4.13Å; M279-L619 HydrophobicContact CG-CG 4.35Å; V615-L619 HydrophobicContact CG1-CD1 4.18Å; V615-L619 PolarHBondContact O-N 2.96Å; C616-L619 PolarHBondContact O-N 2.84Å; G617-L619 PolarHBondContact O-N 3.09Å
620	M	97.9	Very high	96.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-109.3	-17.6	-162.3	-69.5	179.1	-71.5	0	0	116.1	Y170 Q176 F272 I577 Y581 L601 C616	Y170-M620 HydrophobicContact CD1-CG 3.8Å; Y170-M620 HydrophobicContact CE1-CG 4.04Å; Q176-M620 PolarHBondContact NE2-O 3.03Å; F272-M620 HydrophobicContact CD2-CE 4.24Å; F272-M620 HydrophobicContact CD2-SD 4.2Å; F272-M620 HydrophobicContact CE1-CE 4.21Å; F272-M620 HydrophobicContact CE2-CE 3.39Å; F272-M620 HydrophobicContact CE2-SD 3.93Å; F272-M620 HydrophobicContact CZ-CE 3.37Å; F272-M620 HydrophobicContact CZ-SD 4.25Å; I577-M620 HydrophobicContact CB-CE 4.04Å; I577-M620 HydrophobicContact CG2-CB 4.27Å; I577-M620 HydrophobicContact CG2-CE 3.56Å; I577-M620 HydrophobicContact CG2-SD 4.26Å; Y581-M620 HydrophobicContact CD1-CG 3.93Å; Y581-M620 HydrophobicContact CD1-SD 3.94Å; Y581-M620 HydrophobicContact CD2-CB 3.5Å; Y581-M620 HydrophobicContact CD2-CG 3.8Å; Y581-M620 VanDerWaalsContact CD2-O 3.25Å; Y581-M620 WeakPolarHBondContact CD2-O 3.25Å; Y581-M620 HydrophobicContact CD2-SD 4.49Å; Y581-M620 HydrophobicContact CE1-CG 4.32Å; Y581-M620 HydrophobicContact CE2-CB 4.01Å; Y581-M620 HydrophobicContact CE2-CG 4.15Å; Y581-M620 WeakPolarHBondContact CE2-O 3.33Å; Y581-M620 HydrophobicContact CG-CB 3.79Å; Y581-M620 HydrophobicContact CG-CG 3.66Å; Y581-M620 HydrophobicContact CG-SD 3.79Å; L601-M620 HydrophobicContact CD2-CB 4.3Å; C616-M620 HydrophobicContact CB-CE 3.69Å; C616-M620 WeakPolarHBondContact O-CB 3.45Å; C616-M620 PolarHBondContact O-N 2.75Å
621	A	98	Very high	97	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.			trans	-99.4	142.5	-172.9	0	0	0	0	0	113.6	R167 L601 P603 G617 I624	R167-A621 VanDerWaalsContact CZ-O 3.25Å; R167-A621 PolarHBondContact NH1-O 3.11Å; R167-A621 PolarHBondContact NH2-O 3.38Å; L601-A621 CarbonylContact O-C 3.58Å; L601-A621 WeakPolarHBondContact O-CA 3.29Å; L601-A621 WeakPolarHBondContact O-CB 3.27Å; P603-A621 HydrophobicContact CG-CB 4.05Å; G617-A621 WeakPolarHBondContact O-CB 3.14Å; G617-A621 PolarHBondContact O-N 2.78Å; G617-A621 VanDerWaalsContact O-N 3.11Å; A621-I624 HydrophobicContact CB-CG2 4.3Å
622	E	97.4	Very high	97.1	Very high	26 Å²	26	16.4 Å²	16.4	12%	0.121	7%	0.071	C	C	.	.	S	Bend	trans	-58.3	-57.8	166.9	174.9	79.1	-159.5	0	0	110.3	R167 Q176 S177 V600 L601 R602	R167-E622 PolarHBondContact NH2-O 2.89Å; Q176-E622 WeakPolarHBondContact CA-OE2 3.33Å; Q176-E622 WeakPolarHBondContact CB-OE2 3.43Å; Q176-E622 HydrophobicContact CG-CB 4.46Å; Q176-E622 VanDerWaalsContact OE1-N 3.13Å; S177-E622 VanDerWaalsContact CB-OE1 3.26Å; S177-E622 WeakPolarHBondContact CB-OE1 3.42Å; S177-E622 PolarHBondContact N-OE2 2.83Å; S177-E622 PolarHBondContact OG-OE1 3.24Å; V600-E622 HydrophobicContact CB-CB 3.84Å; V600-E622 HydrophobicContact CB-CG 4.03Å; V600-E622 HydrophobicContact CG1-CB 4.33Å; V600-E622 HydrophobicContact CG1-CG 4.16Å; V600-E622 HydrophobicContact CG2-CB 4.34Å; V600-E622 HydrophobicContact CG2-CG 4.23Å; L601-E622 PolarHBondContact O-N 3.32Å; R602-E622 HydrophobicContact CG-CB 4.12Å; R602-E622 HydrophobicContact CG-CG 4.46Å
623	N	96.2	Very high	97.3	Very high	9 Å²	9	14.1 Å²	14.1	5%	0.048	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	168.1	-179.4	-60	-51.3	0	0	0	109	R602 G646 M721	R602-N623 WeakPolarHBondContact CA-O 3.42Å; R602-N623 HydrophobicContact CG-CB 4.05Å; N623-G646 CarbonylContact C-O 3.59Å; N623-G646 VanDerWaalsContact CA-O 3.32Å; N623-G646 WeakPolarHBondContact CA-O 3.46Å; N623-G646 VanDerWaalsContact CB-O 3.32Å; N623-G646 WeakPolarHBondContact CB-O 3.37Å; N623-G646 WeakPolarHBondContact OD1-CA 3.22Å; N623-G646 PolarHBondContact OD1-N 2.74Å; N623-M721 PolarHBondContact ND2-O 3.42Å
624	I	98.4	Very high	97.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	158.9	173.1	61	163.6	0	0	0	112.6	C605 L614 A621 L630 Y640 G646 I647 A648	C605-I624 HydrophobicContact CB-CB 3.86Å; C605-I624 HydrophobicContact CB-CD1 4.45Å; C605-I624 HydrophobicContact CB-CG2 3.68Å; L614-I624 HydrophobicContact CD2-CD1 3.87Å; A621-I624 HydrophobicContact CB-CG2 4.3Å; I624-L630 HydrophobicContact CD1-CD1 4.22Å; I624-Y640 HydrophobicContact CD1-CD1 4.5Å; I624-Y640 HydrophobicContact CD1-CE1 3.6Å; I624-Y640 HydrophobicContact CG1-CE1 4Å; I624-G646 PolarHBondContact N-O 2.72Å; I624-I647 HydrophobicContact CD1-CG1 4.35Å; I624-I647 HydrophobicContact CD1-CG2 4.33Å; I624-I647 HydrophobicContact CG1-CB 4.4Å; I624-I647 HydrophobicContact CG1-CG1 4.06Å; I624-I647 HydrophobicContact CG1-CG2 4.15Å; I624-I647 WeakPolarHBondContact O-CA 3.4Å; I624-A648 PolarHBondContact O-N 3Å
625	S	98.2	Very high	97.4	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	147.3	165.6	-40.8	0	0	0	0	110.1	R457 P603 C605 G627 A648	R457-S625 PolarHBondContact NH2-OG 2.83Å; R457-S625 VanDerWaalsContact NH2-OG 3.14Å; P603-S625 PolarHBondContact O-N 2.81Å; C605-S625 PolarHBondContact N-O 2.84Å; C605-S625 VanDerWaalsContact N-O 3.13Å; S625-G627 PolarHBondContact O-N 3.28Å; S625-G627 VanDerWaalsContact O-N 3.07Å; S625-A648 CarbonylContact C-O 3.59Å
626	H	97.3	Very high	97.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68	-72.3	-178.9	-41.9	-103.6	0	0	0	116	H335 H604 E607 L628 A648 N654 D681	H335-H626 AromaticContact CE1-CE1 3.76Å; H335-H626 AromaticContact CE1-NE2 3.25Å; H335-H626 PolarHBondContact CE1-NE2 3.11Å; H335-H626 VanDerWaalsContact CE1-NE2 3.25Å; H335-H626 AromaticContact ND1-CE1 3.88Å; H335-H626 AromaticContact ND1-NE2 3.5Å; H335-H626 PolarHBondContact ND1-NE2 3.05Å; H604-H626 AromaticContact CD2-CD2 3.95Å; H604-H626 AromaticContact CD2-NE2 3.26Å; H604-H626 PolarHBondContact CD2-NE2 3.39Å; H604-H626 VanDerWaalsContact CD2-NE2 3.26Å; H604-H626 AromaticContact CG-NE2 3.78Å; H604-H626 AromaticContact NE2-NE2 3.75Å; E607-H626 HydrophobicContact CB-CB 3.56Å; E607-H626 HydrophobicContact CG-CB 3.95Å; E607-H626 IonicContact OE1-CE1 2.86Å; E607-H626 IonicContact OE1-CG 3.69Å; E607-H626 IonicContact OE1-ND1 2.89Å; E607-H626 PolarHBondContact OE1-ND1 3.43Å; E607-H626 IonicContact OE2-CE1 2.95Å; E607-H626 IonicContact OE2-CG 3.7Å; E607-H626 IonicContact OE2-ND1 3.23Å; E607-H626 PolarHBondContact OE2-ND1 3.48Å; H626-L628 PolarHBondContact O-N 3.26Å; H626-L628 VanDerWaalsContact O-N 3.1Å; H626-A648 PolarHBondContact N-O 3.34Å; H626-N654 PolarHBondContact ND1-ND2 2.77Å; H626-D681 IonicContact CE1-OD2 2.93Å; H626-D681 PolarHBondContact CE1-OD2 3.31Å
627	G	97.2	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.			trans	59.9	19.1	178.9	0	0	0	0	0	116.6	C605 G606 S625 L629 L630 Y669	C605-G627 WeakPolarHBondContact O-CA 3.39Å; C605-G627 PolarHBondContact O-N 3.44Å; G606-G627 CarbonylContact O-C 3.6Å; S625-G627 PolarHBondContact O-N 3.28Å; S625-G627 VanDerWaalsContact O-N 3.07Å; G627-L629 VanDerWaalsContact C-N 3.26Å; G627-L629 PolarHBondContact O-N 3.14Å; G627-L630 WeakPolarHBondContact O-CB 3.49Å; G627-L630 PolarHBondContact O-N 3.31Å; G627-Y669 PolarHBondContact O-OH 2.97Å
628	L	96.9	Very high	97.5	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.026	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-57.7	-35.5	-175.5	-65.2	-174.9	0	0	0	113.4	G606 E607 H626 L630 R631 M649 N654 L659 P665 Y669	G606-L628 PolarHBondContact O-N 3.46Å; E607-L628 HydrophobicContact CG-CD1 3.78Å; E607-L628 HydrophobicContact CG-CG 4.37Å; H626-L628 PolarHBondContact O-N 3.26Å; H626-L628 VanDerWaalsContact O-N 3.1Å; L628-L630 VanDerWaalsContact C-N 3.29Å; L628-L630 PolarHBondContact O-N 2.94Å; L628-R631 WeakPolarHBondContact O-CD 3.38Å; L628-R631 VanDerWaalsContact O-CG 3.24Å; L628-R631 WeakPolarHBondContact O-CG 3.49Å; L628-M649 HydrophobicContact CD2-CE 4.12Å; L628-N654 HydrophobicContact CD1-CB 4Å; L628-N654 HydrophobicContact CD2-CB 4.47Å; L628-L659 HydrophobicContact CD1-CB 4.42Å; L628-L659 HydrophobicContact CD1-CD2 4.24Å; L628-L659 HydrophobicContact CD2-CD2 4.19Å; L628-P665 HydrophobicContact CD2-CG 4.26Å; L628-Y669 PolarHBondContact O-OH 2.82Å
629	L	96.7	Very high	97.5	Very high	11 Å²	11	14.9 Å²	14.9	6%	0.058	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-73.7	-13.7	-176.6	-68.2	-167.7	0	0	0	114.3	G606 A608 G609 L614 G627 R631 K632	G606-L629 WeakPolarHBondContact O-CB 3.45Å; G606-L629 WeakPolarHBondContact O-CG 3.44Å; G606-L629 PolarHBondContact O-N 2.95Å; A608-L629 WeakPolarHBondContact O-CD1 3.31Å; G609-L629 WeakPolarHBondContact O-CD1 3.43Å; L614-L629 HydrophobicContact CD1-CB 3.7Å; G627-L629 VanDerWaalsContact C-N 3.26Å; G627-L629 PolarHBondContact O-N 3.14Å; L629-R631 PolarHBondContact O-N 3.42Å; L629-R631 VanDerWaalsContact O-N 3.09Å; L629-K632 HydrophobicContact CD2-CD 3.93Å; L629-K632 WeakPolarHBondContact O-CB 3.42Å; L629-K632 PolarHBondContact O-N 3.45Å
630	L	97.4	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26.4	174.1	-71.5	165.9	0	0	0	111.8	L614 I624 G627 L628 K632 V633 L636 Q637 Y640 I647 Y669	L614-L630 HydrophobicContact CB-CD2 4.41Å; L614-L630 HydrophobicContact CD1-CB 4.48Å; L614-L630 HydrophobicContact CD1-CD2 3.85Å; L614-L630 HydrophobicContact CD1-CG 3.79Å; L614-L630 HydrophobicContact CD2-CD1 4.39Å; L614-L630 HydrophobicContact CD2-CD2 4.15Å; L614-L630 HydrophobicContact CD2-CG 3.91Å; L614-L630 HydrophobicContact CG-CD2 4.38Å; L614-L630 HydrophobicContact CG-CG 4.43Å; I624-L630 HydrophobicContact CD1-CD1 4.22Å; G627-L630 WeakPolarHBondContact O-CB 3.49Å; G627-L630 PolarHBondContact O-N 3.31Å; L628-L630 VanDerWaalsContact C-N 3.29Å; L628-L630 PolarHBondContact O-N 2.94Å; L630-K632 PolarHBondContact O-N 2.92Å; L630-K632 VanDerWaalsContact O-N 3.16Å; L630-V633 CarbonylContact O-C 3.57Å; L630-V633 PolarHBondContact O-N 2.97Å; L630-V633 VanDerWaalsContact O-N 3.07Å; L630-L636 HydrophobicContact CD2-CB 3.67Å; L630-Q637 HydrophobicContact CB-CB 4.25Å; L630-Q637 HydrophobicContact CB-CG 4.31Å; L630-Q637 PolarHBondContact O-NE2 3.18Å; L630-Y640 HydrophobicContact CD1-CD1 3.85Å; L630-Y640 HydrophobicContact CD1-CD2 4.49Å; L630-Y640 HydrophobicContact CD1-CE1 4.02Å; L630-Y640 HydrophobicContact CD1-CG 4.11Å; L630-Y640 HydrophobicContact CD2-CD2 3.84Å; L630-Y640 HydrophobicContact CD2-CE2 3.78Å; L630-Y640 HydrophobicContact CD2-CG 4.24Å; L630-I647 HydrophobicContact CD1-CD1 3.66Å; L630-Y669 WeakPolarHBondContact CB-OH 3.36Å
631	R	95.6	Very high	97.6	Very high	92 Å²	92	15.2 Å²	15.2	35%	0.347	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-57.7	-24.4	171.7	81.1	-176.6	-60.8	168.4	16.3	114.5	L628 L629 R663 P665 Y669	L628-R631 WeakPolarHBondContact O-CD 3.38Å; L628-R631 VanDerWaalsContact O-CG 3.24Å; L628-R631 WeakPolarHBondContact O-CG 3.49Å; L629-R631 PolarHBondContact O-N 3.42Å; L629-R631 VanDerWaalsContact O-N 3.09Å; R631-R663 PolarHBondContact NH1-O 3.04Å; R631-R663 PolarHBondContact NH2-O 3.37Å; R631-P665 HydrophobicContact CB-CB 4.26Å; R631-Y669 PolarHBondContact N-OH 2.81Å
632	K	95	Very high	97.6	Very high	137 Å²	137	15.2 Å²	15.2	60%	0.596	7%	0.067	S	C	*	.	G	3₁₀ helix	trans	-93.9	-10.5	-179.9	-55.9	-177.2	-171	166.9	0	112.2	L629 L630 P634	L629-K632 HydrophobicContact CD2-CD 3.93Å; L629-K632 WeakPolarHBondContact O-CB 3.42Å; L629-K632 PolarHBondContact O-N 3.45Å; L630-K632 PolarHBondContact O-N 2.92Å; L630-K632 VanDerWaalsContact O-N 3.16Å; K632-P634 WeakPolarHBondContact O-CD 3.47Å
633	V	97.1	Very high	97.6	Very high	8 Å²	8	14 Å²	14	5%	0.048	6%	0.062	C	C	.	.			trans	-128.3	80.6	-169	-166.8	0	0	0	0	110.6	I283 V611 L630 V635 L636 Q637	I283-V633 HydrophobicContact CD1-CG1 4.35Å; I283-V633 HydrophobicContact CG1-CG1 4.09Å; I283-V633 HydrophobicContact CG2-CG1 3.71Å; V611-V633 HydrophobicContact CB-CG2 3.95Å; V611-V633 HydrophobicContact CG1-CG2 3.61Å; L630-V633 CarbonylContact O-C 3.57Å; L630-V633 PolarHBondContact O-N 2.97Å; L630-V633 VanDerWaalsContact O-N 3.07Å; V633-V635 VanDerWaalsContact C-N 3.25Å; V633-V635 PolarHBondContact O-N 3.28Å; V633-L636 HydrophobicContact CB-CB 4.31Å; V633-L636 HydrophobicContact CG1-CB 3.84Å; V633-L636 HydrophobicContact CG1-CD1 3.98Å; V633-L636 HydrophobicContact CG1-CG 3.82Å; V633-L636 PolarHBondContact O-N 2.86Å; V633-Q637 PolarHBondContact O-N 2.8Å
634	P	97.8	Very high	97.7	Very high	15 Å²	15	16 Å²	16	10%	0.097	7%	0.071	C	C	.	.	H	α-helix	trans	-55.3	-36.1	-177	-28.2	35.8	0	0	0	114.3	K289 C292 Y293 L296 K632 Q637 Y638	K289-P634 HydrophobicContact CG-CG 4.22Å; C292-P634 HydrophobicContact CB-CB 4.21Å; Y293-P634 HydrophobicContact CD2-CG 4.21Å; L296-P634 HydrophobicContact CD1-CB 4.01Å; L296-P634 WeakPolarHBondContact CD1-O 3.4Å; K632-P634 WeakPolarHBondContact O-CD 3.47Å; P634-Q637 PolarHBondContact O-N 3.11Å; P634-Y638 VanDerWaalsContact O-CB 3.32Å; P634-Y638 WeakPolarHBondContact O-CB 3.42Å; P634-Y638 PolarHBondContact O-N 3.02Å
635	V	98.4	Very high	97.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-51	179.9	-174	0	0	0	0	111.1	I283 L288 K289 C292 V633 Y638 L639	I283-V635 HydrophobicContact CG1-CB 4.37Å; L288-V635 HydrophobicContact CD2-CG1 3.85Å; L288-V635 HydrophobicContact CD2-CG2 4.49Å; L288-V635 HydrophobicContact CG-CG1 4.07Å; L288-V635 HydrophobicContact CG-CG2 4.04Å; K289-V635 HydrophobicContact CB-CG2 4.05Å; C292-V635 HydrophobicContact CB-CG2 4.5Å; V633-V635 VanDerWaalsContact C-N 3.25Å; V633-V635 PolarHBondContact O-N 3.28Å; V635-Y638 PolarHBondContact O-N 3.4Å; V635-L639 HydrophobicContact CG1-CD1 4.18Å; V635-L639 WeakPolarHBondContact O-CB 3.25Å; V635-L639 WeakPolarHBondContact O-CG 3.48Å; V635-L639 PolarHBondContact O-N 3.29Å
636	L	98.4	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.6	-44.5	175.3	-72.2	-177.6	0	0	0	111.8	M279 I283 L614 V615 F618 L630 V633 Y638 L639 Y640	M279-L636 HydrophobicContact CE-CD2 3.77Å; I283-L636 HydrophobicContact CD1-CD1 3.65Å; I283-L636 HydrophobicContact CD1-CD2 3.9Å; I283-L636 HydrophobicContact CD1-CG 3.56Å; I283-L636 HydrophobicContact CG1-CD2 4.46Å; I283-L636 HydrophobicContact CG1-CG 4.03Å; L614-L636 HydrophobicContact CB-CD1 3.56Å; V615-L636 HydrophobicContact CG2-CD1 4.07Å; F618-L636 HydrophobicContact CB-CD2 4.2Å; F618-L636 HydrophobicContact CG-CD2 4.3Å; L630-L636 HydrophobicContact CD2-CB 3.67Å; V633-L636 HydrophobicContact CB-CB 4.31Å; V633-L636 HydrophobicContact CG1-CB 3.84Å; V633-L636 HydrophobicContact CG1-CD1 3.98Å; V633-L636 HydrophobicContact CG1-CG 3.82Å; V633-L636 PolarHBondContact O-N 2.86Å; L636-Y638 VanDerWaalsContact C-N 3.26Å; L636-Y638 PolarHBondContact O-N 3.25Å; L636-L639 HydrophobicContact CD2-CD1 4.49Å; L636-L639 CarbonylContact O-C 3.57Å; L636-L639 PolarHBondContact O-N 3.19Å; L636-L639 VanDerWaalsContact O-N 3.08Å; L636-Y640 HydrophobicContact CB-CD2 4.4Å; L636-Y640 HydrophobicContact CB-CE2 4.4Å; L636-Y640 WeakPolarHBondContact O-CD2 3.33Å; L636-Y640 PolarHBondContact O-N 2.84Å
637	Q	98.7	Very high	97.8	Very high	4 Å²	4	16 Å²	16	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-37.5	-179.3	-166.6	-171.5	128.5	0	0	112.4	L296 L630 V633 P634 Y641 Y669 R672 L674	L296-Q637 HydrophobicContact CD1-CB 3.94Å; L296-Q637 HydrophobicContact CD1-CG 4.27Å; L296-Q637 HydrophobicContact CD2-CB 4.49Å; L296-Q637 HydrophobicContact CD2-CG 4.16Å; L630-Q637 HydrophobicContact CB-CB 4.25Å; L630-Q637 HydrophobicContact CB-CG 4.31Å; L630-Q637 PolarHBondContact O-NE2 3.18Å; V633-Q637 PolarHBondContact O-N 2.8Å; P634-Q637 PolarHBondContact O-N 3.11Å; Q637-Y641 PolarHBondContact O-N 2.95Å; Q637-Y641 VanDerWaalsContact O-N 3.14Å; Q637-Y669 HydrophobicContact CG-CE1 4.32Å; Q637-R672 VanDerWaalsContact OE1-CD 3.32Å; Q637-L674 HydrophobicContact CG-CD2 3.96Å
638	Y	98.7	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.4	-38.2	174.4	-169.8	-126.4	0	0	0	112	L160 F291 C292 R295 L296 L299 P634 V635 L636 Y641 L642 E767 I771	L160-Y638 HydrophobicContact CD1-CD1 4.05Å; L160-Y638 HydrophobicContact CD1-CE1 3.78Å; L160-Y638 HydrophobicContact CD2-CD1 4.24Å; F291-Y638 HydrophobicContact CE1-CE1 4.16Å; C292-Y638 HydrophobicContact CB-CD1 4.16Å; C292-Y638 HydrophobicContact CB-CG 4.3Å; R295-Y638 HydrophobicContact CB-CD2 4.08Å; R295-Y638 HydrophobicContact CB-CE1 4.25Å; R295-Y638 HydrophobicContact CB-CE2 3.56Å; R295-Y638 HydrophobicContact CG-CE1 4.21Å; R295-Y638 HydrophobicContact CG-CE2 4.28Å; L296-Y638 HydrophobicContact CD2-CD2 4.15Å; L296-Y638 HydrophobicContact CG-CD2 4.27Å; L299-Y638 HydrophobicContact CD1-CD2 4.39Å; L299-Y638 HydrophobicContact CD1-CE2 4.25Å; P634-Y638 VanDerWaalsContact O-CB 3.32Å; P634-Y638 WeakPolarHBondContact O-CB 3.42Å; P634-Y638 PolarHBondContact O-N 3.02Å; V635-Y638 PolarHBondContact O-N 3.4Å; L636-Y638 VanDerWaalsContact C-N 3.26Å; L636-Y638 PolarHBondContact O-N 3.25Å; Y638-Y641 HydrophobicContact CD2-CD1 4.06Å; Y638-Y641 AromaticContact CE2-CD1 3.98Å; Y638-Y641 HydrophobicContact CE2-CD1 3.98Å; Y638-Y641 HydrophobicContact CE2-CE1 4.28Å; Y638-Y641 WeakPolarHBondContact O-CB 3.44Å; Y638-Y641 PolarHBondContact O-N 2.97Å; Y638-L642 HydrophobicContact CD1-CD1 3.88Å; Y638-L642 HydrophobicContact CE1-CD1 3.73Å; Y638-L642 HydrophobicContact CE1-CG 4.38Å; Y638-L642 HydrophobicContact CE2-CD2 4.42Å; Y638-L642 HydrophobicContact CE2-CG 4.46Å; Y638-L642 HydrophobicContact CG-CD1 4.42Å; Y638-L642 VanDerWaalsContact O-CG 3.29Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.07Å; Y638-E767 HydrophobicContact CE2-CG 4.49Å; Y638-E767 PolarHBondContact OH-OE2 3.05Å; Y638-I771 HydrophobicContact CE1-CD1 3.92Å
639	L	98.7	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-44.6	172.2	-76	168.4	0	0	0	112.6	L160 A163 L164 M279 F618 V635 L636 Y641 L642 T643	L160-L639 HydrophobicContact CD2-CD1 4.46Å; L160-L639 HydrophobicContact CD2-CD2 3.64Å; L160-L639 HydrophobicContact CD2-CG 3.85Å; A163-L639 HydrophobicContact CB-CD1 3.69Å; A163-L639 HydrophobicContact CB-CD2 3.81Å; A163-L639 HydrophobicContact CB-CG 4.44Å; L164-L639 HydrophobicContact CD2-CD2 4.05Å; L164-L639 HydrophobicContact CG-CD2 4.22Å; M279-L639 HydrophobicContact CE-CD1 3.84Å; F618-L639 HydrophobicContact CD2-CB 4.25Å; F618-L639 HydrophobicContact CE1-CD1 4.37Å; F618-L639 HydrophobicContact CE2-CB 3.66Å; F618-L639 HydrophobicContact CZ-CB 3.99Å; F618-L639 HydrophobicContact CZ-CD1 4.18Å; F618-L639 HydrophobicContact CZ-CD2 4.17Å; F618-L639 HydrophobicContact CZ-CG 4.36Å; V635-L639 HydrophobicContact CG1-CD1 4.18Å; V635-L639 WeakPolarHBondContact O-CB 3.25Å; V635-L639 WeakPolarHBondContact O-CG 3.48Å; V635-L639 PolarHBondContact O-N 3.29Å; L636-L639 HydrophobicContact CD2-CD1 4.49Å; L636-L639 CarbonylContact O-C 3.57Å; L636-L639 PolarHBondContact O-N 3.19Å; L636-L639 VanDerWaalsContact O-N 3.08Å; L639-Y641 PolarHBondContact O-N 3Å; L639-L642 CarbonylContact O-C 3.58Å; L639-L642 PolarHBondContact O-N 3.29Å; L639-L642 VanDerWaalsContact O-N 3.08Å; L639-T643 PolarHBondContact O-N 3.23Å; L639-T643 PolarHBondContact O-OG1 3.26Å
640	Y	98.5	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-59.8	-33.3	174.5	-86.2	-116.6	0	0	0	112.1	L614 F618 I624 L630 L636 Q644 I645 I647	L614-Y640 PolarHBondContact O-OH 3.24Å; F618-Y640 HydrophobicContact CB-CE2 3.78Å; F618-Y640 AromaticContact CD2-CD2 3.98Å; F618-Y640 HydrophobicContact CD2-CD2 3.98Å; F618-Y640 HydrophobicContact CD2-CE2 4Å; F618-Y640 HydrophobicContact CG-CE2 4.34Å; F618-Y640 PolarHBondContact N-OH 3.22Å; I624-Y640 HydrophobicContact CD1-CD1 4.5Å; I624-Y640 HydrophobicContact CD1-CE1 3.6Å; I624-Y640 HydrophobicContact CG1-CE1 4Å; L630-Y640 HydrophobicContact CD1-CD1 3.85Å; L630-Y640 HydrophobicContact CD1-CD2 4.49Å; L630-Y640 HydrophobicContact CD1-CE1 4.02Å; L630-Y640 HydrophobicContact CD1-CG 4.11Å; L630-Y640 HydrophobicContact CD2-CD2 3.84Å; L630-Y640 HydrophobicContact CD2-CE2 3.78Å; L630-Y640 HydrophobicContact CD2-CG 4.24Å; L636-Y640 HydrophobicContact CB-CD2 4.4Å; L636-Y640 HydrophobicContact CB-CE2 4.4Å; L636-Y640 WeakPolarHBondContact O-CD2 3.33Å; L636-Y640 PolarHBondContact O-N 2.84Å; Y640-Q644 WeakPolarHBondContact O-CA 3.47Å; Y640-Q644 PolarHBondContact O-N 3.18Å; Y640-I645 HydrophobicContact CD1-CB 3.69Å; Y640-I645 HydrophobicContact CD1-CD1 3.79Å; Y640-I645 HydrophobicContact CD1-CG1 4.3Å; Y640-I645 HydrophobicContact CD1-CG2 3.78Å; Y640-I645 HydrophobicContact CD2-CD1 4.13Å; Y640-I645 HydrophobicContact CE1-CB 4.2Å; Y640-I645 HydrophobicContact CE1-CD1 3.96Å; Y640-I645 HydrophobicContact CE1-CG2 3.8Å; Y640-I645 HydrophobicContact CE2-CD1 4.35Å; Y640-I645 HydrophobicContact CG-CB 4.32Å; Y640-I645 HydrophobicContact CG-CD1 3.88Å; Y640-I645 PolarHBondContact O-N 3.18Å; Y640-I645 VanDerWaalsContact O-N 3.15Å; Y640-I647 HydrophobicContact CD1-CD1 4.22Å; Y640-I647 HydrophobicContact CD1-CG1 4.41Å
641	Y	98.7	Very high	98	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.02	7%	0.068	C	C	.	.	H	α-helix	trans	-66.2	-52.2	168.9	165.9	-98.6	0	0	0	111.6	L299 Q637 Y638 L639 T643 Q644 R672 G673 T763 L764 E767	L299-Y641 HydrophobicContact CD1-CD1 3.83Å; L299-Y641 HydrophobicContact CD1-CD2 4.15Å; L299-Y641 HydrophobicContact CD1-CE1 3.7Å; L299-Y641 HydrophobicContact CD1-CE2 4.02Å; L299-Y641 HydrophobicContact CD1-CG 4.06Å; L299-Y641 HydrophobicContact CD2-CE1 4.25Å; L299-Y641 HydrophobicContact CD2-CE2 4.26Å; L299-Y641 WeakPolarHBondContact CD2-OH 3.18Å; Q637-Y641 PolarHBondContact O-N 2.95Å; Q637-Y641 VanDerWaalsContact O-N 3.14Å; Y638-Y641 HydrophobicContact CD2-CD1 4.06Å; Y638-Y641 AromaticContact CE2-CD1 3.98Å; Y638-Y641 HydrophobicContact CE2-CD1 3.98Å; Y638-Y641 HydrophobicContact CE2-CE1 4.28Å; Y638-Y641 WeakPolarHBondContact O-CB 3.44Å; Y638-Y641 PolarHBondContact O-N 2.97Å; L639-Y641 PolarHBondContact O-N 3Å; Y641-T643 PolarHBondContact O-N 3.22Å; Y641-Q644 WeakPolarHBondContact O-CG 3.21Å; Y641-Q644 PolarHBondContact O-N 3.23Å; Y641-Q644 VanDerWaalsContact O-N 3.09Å; Y641-Q644 PolarHBondContact O-NE2 3.36Å; Y641-R672 WeakPolarHBondContact CD2-O 3.47Å; Y641-R672 VanDerWaalsContact CE2-O 3.27Å; Y641-R672 WeakPolarHBondContact CE2-O 3.41Å; Y641-G673 WeakPolarHBondContact CD2-O 3.34Å; Y641-T763 PolarHBondContact OH-O 3.08Å; Y641-T763 VanDerWaalsContact OH-O 3.1Å; Y641-L764 HydrophobicContact CE1-CD1 4.02Å; Y641-L764 WeakPolarHBondContact OH-CA 3.24Å; Y641-L764 PolarHBondContact OH-N 2.98Å; Y641-E767 HydrophobicContact CE1-CB 3.98Å; Y641-E767 HydrophobicContact CE1-CG 3.91Å
642	L	98.4	Very high	98	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.6	-25.3	-179.4	-64.9	169.3	0	0	0	113.6	L164 T182 Y638 L639 E767 L768 I771	L164-L642 HydrophobicContact CD2-CB 4.02Å; T182-L642 WeakPolarHBondContact CG2-O 3.35Å; T182-L642 PolarHBondContact OG1-O 3.29Å; Y638-L642 HydrophobicContact CD1-CD1 3.88Å; Y638-L642 HydrophobicContact CE1-CD1 3.73Å; Y638-L642 HydrophobicContact CE1-CG 4.38Å; Y638-L642 HydrophobicContact CE2-CD2 4.42Å; Y638-L642 HydrophobicContact CE2-CG 4.46Å; Y638-L642 HydrophobicContact CG-CD1 4.42Å; Y638-L642 VanDerWaalsContact O-CG 3.29Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.07Å; L639-L642 CarbonylContact O-C 3.58Å; L639-L642 PolarHBondContact O-N 3.29Å; L639-L642 VanDerWaalsContact O-N 3.08Å; L642-E767 HydrophobicContact CD2-CB 4.25Å; L642-L768 HydrophobicContact CD2-CD2 3.88Å; L642-L768 HydrophobicContact CD2-CG 4.2Å; L642-I771 HydrophobicContact CD1-CD1 3.44Å; L642-I771 VanDerWaalsContact CD1-CD1 3.44Å; L642-I771 HydrophobicContact CD2-CD1 3.73Å; L642-I771 HydrophobicContact CG-CD1 4.24Å
643	T	97.8	Very high	98	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.012	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	6.1	175.4	58.9	0	0	0	0	113.7	L164 F178 P179 F618 L639 Y641 I645	L164-T643 HydrophobicContact CD2-CG2 3.25Å; F178-T643 HydrophobicContact CE2-CG2 4.01Å; F178-T643 HydrophobicContact CZ-CG2 4.24Å; P179-T643 WeakPolarHBondContact CD-O 3.33Å; P179-T643 WeakPolarHBondContact CG-O 3.43Å; F618-T643 HydrophobicContact CE2-CG2 4Å; F618-T643 HydrophobicContact CZ-CG2 4.32Å; L639-T643 PolarHBondContact O-N 3.23Å; L639-T643 PolarHBondContact O-OG1 3.26Å; Y641-T643 PolarHBondContact O-N 3.22Å; T643-I645 PolarHBondContact O-N 3.09Å; T643-I645 VanDerWaalsContact OG1-CD1 3.27Å; T643-I645 WeakPolarHBondContact OG1-CD1 3.49Å; T643-I645 VanDerWaalsContact OG1-CG1 3.3Å; T643-I645 WeakPolarHBondContact OG1-CG1 3.08Å
644	Q	97.6	Very high	97.9	Very high	50 Å²	50	5 Å²	5	23%	0.234	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	37.7	173.6	-65.9	-75.3	-84.6	0	0	114.2	P179 Y640 Y641 G673 I675 L764	P179-Q644 HydrophobicContact CB-CB 4.36Å; P179-Q644 HydrophobicContact CG-CB 4.41Å; Y640-Q644 WeakPolarHBondContact O-CA 3.47Å; Y640-Q644 PolarHBondContact O-N 3.18Å; Y641-Q644 WeakPolarHBondContact O-CG 3.21Å; Y641-Q644 PolarHBondContact O-N 3.23Å; Y641-Q644 VanDerWaalsContact O-N 3.09Å; Y641-Q644 PolarHBondContact O-NE2 3.36Å; Q644-G673 PolarHBondContact NE2-O 2.98Å; Q644-I675 HydrophobicContact CB-CG1 3.94Å; Q644-I675 HydrophobicContact CG-CG1 4.46Å; Q644-L764 HydrophobicContact CG-CD2 3.75Å
645	I	98.1	Very high	97.7	Very high	4 Å²	4	7 Å²	7	2%	0.021	4%	0.036	C	C	.	.			trans	-66.6	134.9	-176.6	-62.7	171.7	0	0	0	110	F618 Y640 T643	F618-I645 HydrophobicContact CD2-CD1 3.79Å; F618-I645 HydrophobicContact CE2-CD1 4.27Å; Y640-I645 HydrophobicContact CD1-CB 3.69Å; Y640-I645 HydrophobicContact CD1-CD1 3.79Å; Y640-I645 HydrophobicContact CD1-CG1 4.3Å; Y640-I645 HydrophobicContact CD1-CG2 3.78Å; Y640-I645 HydrophobicContact CD2-CD1 4.13Å; Y640-I645 HydrophobicContact CE1-CB 4.2Å; Y640-I645 HydrophobicContact CE1-CD1 3.96Å; Y640-I645 HydrophobicContact CE1-CG2 3.8Å; Y640-I645 HydrophobicContact CE2-CD1 4.35Å; Y640-I645 HydrophobicContact CG-CB 4.32Å; Y640-I645 HydrophobicContact CG-CD1 3.88Å; Y640-I645 PolarHBondContact O-N 3.18Å; Y640-I645 VanDerWaalsContact O-N 3.15Å; T643-I645 PolarHBondContact O-N 3.09Å; T643-I645 VanDerWaalsContact OG1-CD1 3.27Å; T643-I645 WeakPolarHBondContact OG1-CD1 3.49Å; T643-I645 VanDerWaalsContact OG1-CG1 3.3Å; T643-I645 WeakPolarHBondContact OG1-CG1 3.08Å
646	G	98.3	Very high	97.2	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.01	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.6	175.1	0	0	0	0	0	112.7	N623 I624 I675	N623-G646 CarbonylContact C-O 3.59Å; N623-G646 VanDerWaalsContact CA-O 3.32Å; N623-G646 WeakPolarHBondContact CA-O 3.46Å; N623-G646 VanDerWaalsContact CB-O 3.32Å; N623-G646 WeakPolarHBondContact CB-O 3.37Å; N623-G646 WeakPolarHBondContact OD1-CA 3.22Å; N623-G646 PolarHBondContact OD1-N 2.74Å; I624-G646 PolarHBondContact N-O 2.72Å; G646-I675 CarbonylContact C-O 3.3Å; G646-I675 VanDerWaalsContact CA-O 3.26Å; G646-I675 WeakPolarHBondContact CA-O 3.48Å
647	I	98.8	Very high	96.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.3	173.3	-48	176.9	0	0	0	108.9	I624 L630 Y640 M649 Y669 L674 I675 I676 S677	I624-I647 HydrophobicContact CD1-CG1 4.35Å; I624-I647 HydrophobicContact CD1-CG2 4.33Å; I624-I647 HydrophobicContact CG1-CB 4.4Å; I624-I647 HydrophobicContact CG1-CG1 4.06Å; I624-I647 HydrophobicContact CG1-CG2 4.15Å; I624-I647 WeakPolarHBondContact O-CA 3.4Å; L630-I647 HydrophobicContact CD1-CD1 3.66Å; Y640-I647 HydrophobicContact CD1-CD1 4.22Å; Y640-I647 HydrophobicContact CD1-CG1 4.41Å; I647-M649 HydrophobicContact CB-CG 4.45Å; I647-M649 HydrophobicContact CG2-CG 3.65Å; I647-M649 HydrophobicContact CG2-SD 4.27Å; I647-Y669 HydrophobicContact CD1-CD2 4.38Å; I647-L674 HydrophobicContact CD1-CD2 3.96Å; I647-I675 PolarHBondContact N-O 3.2Å; I647-I676 HydrophobicContact CB-CB 4.45Å; I647-I676 HydrophobicContact CB-CG2 4.01Å; I647-I676 HydrophobicContact CD1-CG2 4.24Å; I647-I676 HydrophobicContact CG1-CG2 4.39Å; I647-I676 VanDerWaalsContact O-CA 3.27Å; I647-I676 WeakPolarHBondContact O-CA 3.43Å; I647-S677 PolarHBondContact O-N 3.32Å
648	A	98.6	Very high	95.8	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.008	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.5	170.5	0	0	0	0	0	109.4	T334 H335 I624 S625 H626	T334-A648 WeakPolarHBondContact OG1-CB 3.44Å; H335-A648 HydrophobicContact CB-CB 3.9Å; I624-A648 PolarHBondContact O-N 3Å; S625-A648 CarbonylContact C-O 3.59Å; H626-A648 PolarHBondContact N-O 3.34Å
649	M	98.4	Very high	95.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	-174.5	-60.4	-172.4	74.2	0	0	111.2	L628 I647 P651 N664 P665 L666 Y669 I676 S677 L678 S679	L628-M649 HydrophobicContact CD2-CE 4.12Å; I647-M649 HydrophobicContact CB-CG 4.45Å; I647-M649 HydrophobicContact CG2-CG 3.65Å; I647-M649 HydrophobicContact CG2-SD 4.27Å; M649-P651 VanDerWaalsContact O-CD 3.27Å; M649-P651 WeakPolarHBondContact O-CD 3.45Å; M649-N664 WeakPolarHBondContact CE-OD1 3.45Å; M649-P665 HydrophobicContact CE-CG 4.11Å; M649-L666 HydrophobicContact CB-CD1 3.94Å; M649-L666 HydrophobicContact CE-CB 3.9Å; M649-L666 HydrophobicContact SD-CB 3.88Å; M649-L666 HydrophobicContact SD-CD1 4.35Å; M649-L666 HydrophobicContact SD-CG 4.01Å; M649-Y669 HydrophobicContact CE-CD2 4.04Å; M649-Y669 HydrophobicContact CE-CE2 3.95Å; M649-Y669 HydrophobicContact SD-CD2 3.73Å; M649-Y669 HydrophobicContact SD-CE2 4.15Å; M649-I676 HydrophobicContact SD-CB 4.33Å; M649-I676 HydrophobicContact SD-CD1 4.19Å; M649-I676 HydrophobicContact SD-CG2 4.39Å; M649-S677 PolarHBondContact N-O 2.83Å; M649-L678 WeakPolarHBondContact O-CA 3.39Å; M649-S679 VanDerWaalsContact C-OG 3.22Å; M649-S679 PolarHBondContact N-OG 2.71Å; M649-S679 PolarHBondContact O-N 2.82Å; M649-S679 PolarHBondContact O-OG 3.09Å; M649-S679 VanDerWaalsContact O-OG 3.07Å
650	S	98	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.			trans	-120.3	76.8	-177.9	-50.6	0	0	0	0	112.2	L652 S653 N654 S679	S650-L652 PolarHBondContact O-N 2.78Å; S650-S653 WeakPolarHBondContact O-CB 3.23Å; S650-S653 PolarHBondContact O-N 3.39Å; S650-S653 VanDerWaalsContact O-N 3.16Å; S650-N654 PolarHBondContact O-N 2.87Å; S650-N654 PolarHBondContact O-OD1 2.75Å; S650-N654 VanDerWaalsContact O-OD1 3.14Å; S650-S679 VanDerWaalsContact CA-O 3.3Å; S650-S679 WeakPolarHBondContact CA-O 3.49Å; S650-S679 WeakPolarHBondContact CB-O 3.34Å; S650-S679 PolarHBondContact OG-O 2.64Å; S650-S679 PolarHBondContact OG-OG 3.18Å
651	P	97.7	Very high	94.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53.1	-35.7	-172	-31.3	37.1	0	0	0	117.8	M649 N655 Y661 L666 L678 E696 W704	M649-P651 VanDerWaalsContact O-CD 3.27Å; M649-P651 WeakPolarHBondContact O-CD 3.45Å; P651-N655 WeakPolarHBondContact O-CB 3.43Å; P651-N655 PolarHBondContact O-N 2.74Å; P651-Y661 HydrophobicContact CB-CD2 3.95Å; P651-Y661 HydrophobicContact CB-CE2 3.31Å; P651-L666 HydrophobicContact CG-CD1 3.62Å; P651-L678 HydrophobicContact CG-CD2 3.65Å; P651-E696 VanDerWaalsContact CD-OE1 3.28Å; P651-E696 WeakPolarHBondContact CD-OE1 3.4Å; P651-E696 VanDerWaalsContact N-OE1 3.08Å; P651-W704 HydrophobicContact CB-CH2 3.75Å; P651-W704 HydrophobicContact CB-CZ2 4.49Å; P651-W704 HydrophobicContact CG-CH2 3.6Å; P651-W704 HydrophobicContact CG-CZ3 4.15Å
652	L	96.3	Very high	94.5	Very high	21 Å²	21	22.9 Å²	22.9	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-71.5	-37.9	178.6	-67.8	173.3	0	0	0	112	S650 S656 Y661 F686 E695 E696 I699	S650-L652 PolarHBondContact O-N 2.78Å; L652-S656 WeakPolarHBondContact O-CB 3.39Å; L652-S656 PolarHBondContact O-N 2.65Å; L652-S656 VanDerWaalsContact O-N 3.14Å; L652-S656 PolarHBondContact O-OG 3.28Å; L652-Y661 HydrophobicContact CD2-CD2 4.07Å; L652-Y661 HydrophobicContact CD2-CE2 3.69Å; L652-Y661 HydrophobicContact CG-CE2 4.06Å; L652-F686 HydrophobicContact CB-CB 4.41Å; L652-E695 HydrophobicContact CD1-CG 4.46Å; L652-E696 WeakPolarHBondContact CB-OE1 3.02Å; L652-E696 HydrophobicContact CD1-CG 3.9Å; L652-E696 HydrophobicContact CG-CG 4.27Å; L652-E696 WeakPolarHBondContact CG-OE1 2.94Å; L652-E696 PolarHBondContact N-OE1 3.21Å; L652-I699 HydrophobicContact CD1-CD1 4.09Å; L652-I699 HydrophobicContact CD2-CD1 3.98Å; L652-I699 HydrophobicContact CD2-CG2 4.46Å
653	S	95.4	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-54.4	169.2	173.5	0	0	0	0	110.2	S650 N655 S656 L657 D681 F686	S650-S653 WeakPolarHBondContact O-CB 3.23Å; S650-S653 PolarHBondContact O-N 3.39Å; S650-S653 VanDerWaalsContact O-N 3.16Å; S653-N655 PolarHBondContact O-N 3.16Å; S653-S656 WeakPolarHBondContact O-CA 3.24Å; S653-S656 WeakPolarHBondContact O-CB 3.4Å; S653-S656 PolarHBondContact O-N 3.09Å; S653-L657 PolarHBondContact O-N 3.07Å; S653-D681 WeakPolarHBondContact CB-OD2 3.25Å; S653-D681 PolarHBondContact OG-OD2 2.9Å; S653-F686 VanDerWaalsContact CB-CE2 3.4Å; S653-F686 VanDerWaalsContact OG-CE2 3.28Å; S653-F686 WeakPolarHBondContact OG-CE2 3.45Å
654	N	94.3	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-40.1	-179.6	-50.2	144.4	0	0	0	111.3	E607 H626 L628 S650 S656 L657 F658 L659 N664	E607-N654 PolarHBondContact OE1-ND2 3.02Å; H626-N654 PolarHBondContact ND1-ND2 2.77Å; L628-N654 HydrophobicContact CD1-CB 4Å; L628-N654 HydrophobicContact CD2-CB 4.47Å; S650-N654 PolarHBondContact O-N 2.87Å; S650-N654 PolarHBondContact O-OD1 2.75Å; S650-N654 VanDerWaalsContact O-OD1 3.14Å; N654-S656 VanDerWaalsContact C-N 3.32Å; N654-S656 PolarHBondContact O-N 3.46Å; N654-L657 PolarHBondContact O-N 3.26Å; N654-F658 PolarHBondContact O-N 3.33Å; N654-L659 CarbonylContact C-O 3.23Å; N654-L659 PolarHBondContact O-N 2.92Å; N654-N664 PolarHBondContact OD1-ND2 3.27Å
655	N	93.5	Very high	94.3	Very high	58 Å²	58	28.9 Å²	28.9	31%	0.31	14%	0.136	S	C	.	.	H	α-helix	trans	-62	-36.2	175.3	172	81.4	0	0	0	113.4	F401 P651 S653 L659 N660 Y661	F401-N655 WeakPolarHBondContact CD2-O 3.42Å; F401-N655 WeakPolarHBondContact CE2-O 3.48Å; P651-N655 WeakPolarHBondContact O-CB 3.43Å; P651-N655 PolarHBondContact O-N 2.74Å; S653-N655 PolarHBondContact O-N 3.16Å; N655-L659 VanDerWaalsContact CA-O 3.27Å; N655-L659 WeakPolarHBondContact CA-O 3.45Å; N655-L659 PolarHBondContact N-O 3.31Å; N655-N660 WeakPolarHBondContact OD1-CA 3.34Å; N655-Y661 HydrophobicContact CB-CD2 4.09Å; N655-Y661 PolarHBondContact OD1-N 3.25Å
656	S	87.4	Confident	94.3	Very high	27 Å²	27	28.7 Å²	28.7	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-80.3	-28.3	-179	-55.9	0	0	0	0	112.9	F401 L652 S653 N654 F686	F401-S656 VanDerWaalsContact CA-O 3.26Å; F401-S656 WeakPolarHBondContact CA-O 3.19Å; F401-S656 PolarHBondContact N-O 2.97Å; L652-S656 WeakPolarHBondContact O-CB 3.39Å; L652-S656 PolarHBondContact O-N 2.65Å; L652-S656 VanDerWaalsContact O-N 3.14Å; L652-S656 PolarHBondContact O-OG 3.28Å; S653-S656 WeakPolarHBondContact O-CA 3.24Å; S653-S656 WeakPolarHBondContact O-CB 3.4Å; S653-S656 PolarHBondContact O-N 3.09Å; N654-S656 VanDerWaalsContact C-N 3.32Å; N654-S656 PolarHBondContact O-N 3.46Å; S656-F686 VanDerWaalsContact CB-CE1 3.48Å
657	L	83.7	Confident	94.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-106.9	-42.2	-172.9	-61.1	-174.1	0	0	0	115	T400 H402 F404 F407 S653 N654 F686	T400-L657 HydrophobicContact CG2-CD2 3.81Å; H402-L657 PolarHBondContact N-O 3.08Å; H402-L657 PolarHBondContact ND1-O 3.23Å; F404-L657 HydrophobicContact CD2-CD1 4.39Å; F404-L657 HydrophobicContact CE2-CD1 4.26Å; F407-L657 HydrophobicContact CB-CD2 3.86Å; F407-L657 HydrophobicContact CD2-CD1 4.35Å; F407-L657 HydrophobicContact CD2-CD2 3.98Å; F407-L657 HydrophobicContact CE2-CD1 4.46Å; F407-L657 HydrophobicContact CG-CD1 4.38Å; F407-L657 HydrophobicContact CG-CD2 3.95Å; S653-L657 PolarHBondContact O-N 3.07Å; N654-L657 PolarHBondContact O-N 3.26Å; L657-F686 HydrophobicContact CD1-CZ 4.06Å; L657-F686 HydrophobicContact CD2-CE1 4.41Å; L657-F686 HydrophobicContact CD2-CZ 4.3Å; L657-F686 HydrophobicContact CG-CE1 4.34Å; L657-F686 HydrophobicContact CG-CZ 4.04Å
658	F	84.4	Confident	94.2	Very high	30 Å²	30	33.7 Å²	33.7	13%	0.132	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-28.9	-163.1	-62.9	-72.7	0	0	0	116.6	H402 F404 E607 A608 N654	H402-F658 PolarHBondContact CE1-O 2.83Å; H402-F658 VanDerWaalsContact CE1-O 3.31Å; F404-F658 HydrophobicContact CD2-CE2 4.29Å; F404-F658 AromaticContact CD2-CZ 3.85Å; F404-F658 HydrophobicContact CD2-CZ 3.85Å; F404-F658 HydrophobicContact CE2-CE2 4.48Å; F404-F658 HydrophobicContact CE2-CZ 4.35Å; E607-F658 HydrophobicContact CG-CD2 3.56Å; E607-F658 HydrophobicContact CG-CE2 3.79Å; E607-F658 HydrophobicContact CG-CG 4.28Å; E607-F658 WeakPolarHBondContact OE1-CD2 3.15Å; E607-F658 WeakPolarHBondContact OE2-CE2 3.31Å; A608-F658 HydrophobicContact CB-CD1 4.29Å; A608-F658 HydrophobicContact CB-CE1 3.95Å; A608-F658 HydrophobicContact CB-CZ 4.37Å; N654-F658 PolarHBondContact O-N 3.33Å
659	L	89	Confident	94.2	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.147	16%	0.162	C	C	.	.	S	Bend	trans	-160.5	104.8	-163.5	-178.2	64.9	0	0	0	112.9	L628 N654 N655 Y661 R663	L628-L659 HydrophobicContact CD1-CB 4.42Å; L628-L659 HydrophobicContact CD1-CD2 4.24Å; L628-L659 HydrophobicContact CD2-CD2 4.19Å; N654-L659 CarbonylContact C-O 3.23Å; N654-L659 PolarHBondContact O-N 2.92Å; N655-L659 VanDerWaalsContact CA-O 3.27Å; N655-L659 WeakPolarHBondContact CA-O 3.45Å; N655-L659 PolarHBondContact N-O 3.31Å; L659-Y661 PolarHBondContact O-N 3.2Å; L659-R663 HydrophobicContact CD1-CB 3.7Å; L659-R663 HydrophobicContact CG-CB 4.21Å
660	N	90.8	Very high	94.2	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	16%	0.163	S	C	.	.			trans	-40.2	136.4	177.8	-52.6	20.9	0	0	0	113.1	N655 H662 R663 N664	N655-N660 WeakPolarHBondContact OD1-CA 3.34Å; N660-H662 PolarHBondContact O-N 3.05Å; N660-H662 VanDerWaalsContact O-N 3.15Å; N660-R663 WeakPolarHBondContact O-CA 3.45Å; N660-R663 WeakPolarHBondContact O-CB 3.38Å; N660-R663 PolarHBondContact O-N 2.89Å; N660-N664 PolarHBondContact O-N 3.39Å
661	Y	94.3	Very high	94.2	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.051	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-49.2	-47.5	-169.8	-155.4	-83.1	0	0	0	114.3	P651 L652 N655 L659 R663 N664 E696 I699 A700 V703 W704	P651-Y661 HydrophobicContact CB-CD2 3.95Å; P651-Y661 HydrophobicContact CB-CE2 3.31Å; L652-Y661 HydrophobicContact CD2-CD2 4.07Å; L652-Y661 HydrophobicContact CD2-CE2 3.69Å; L652-Y661 HydrophobicContact CG-CE2 4.06Å; N655-Y661 HydrophobicContact CB-CD2 4.09Å; N655-Y661 PolarHBondContact OD1-N 3.25Å; L659-Y661 PolarHBondContact O-N 3.2Å; Y661-R663 PolarHBondContact O-N 3.49Å; Y661-R663 VanDerWaalsContact O-N 3.08Å; Y661-N664 VanDerWaalsContact O-CB 3.31Å; Y661-N664 WeakPolarHBondContact O-CB 3.5Å; Y661-N664 PolarHBondContact O-N 3.02Å; Y661-E696 PolarHBondContact OH-OE2 3.16Å; Y661-I699 HydrophobicContact CE1-CG2 4.07Å; Y661-I699 HydrophobicContact CE2-CG2 4.02Å; Y661-A700 WeakPolarHBondContact OH-CA 3.4Å; Y661-A700 PolarHBondContact OH-N 3.12Å; Y661-V703 HydrophobicContact CD1-CB 4.28Å; Y661-V703 HydrophobicContact CD1-CG1 3.9Å; Y661-V703 HydrophobicContact CD1-CG2 4.46Å; Y661-V703 HydrophobicContact CE1-CB 4.06Å; Y661-V703 HydrophobicContact CE1-CG1 4.16Å; Y661-V703 HydrophobicContact CE1-CG2 4.31Å; Y661-W704 AromaticContact CD1-CE2 3.77Å; Y661-W704 HydrophobicContact CD1-CH2 4.23Å; Y661-W704 AromaticContact CD1-CZ2 3.5Å; Y661-W704 HydrophobicContact CD1-CZ2 3.5Å; Y661-W704 VanDerWaalsContact CD1-CZ2 3.5Å; Y661-W704 AromaticContact CD1-NE1 3.98Å; Y661-W704 HydrophobicContact CE1-CD2 4.06Å; Y661-W704 AromaticContact CE1-CE2 3.5Å; Y661-W704 VanDerWaalsContact CE1-CE2 3.5Å; Y661-W704 HydrophobicContact CE1-CE3 4.3Å; Y661-W704 AromaticContact CE1-CH2 3.56Å; Y661-W704 HydrophobicContact CE1-CH2 3.56Å; Y661-W704 AromaticContact CE1-CZ2 3.22Å; Y661-W704 HydrophobicContact CE1-CZ2 3.22Å; Y661-W704 HydrophobicContact CE1-CZ3 4.07Å; Y661-W704 HydrophobicContact CG-CZ2 4.37Å; Y661-W704 AromaticContact CZ-CH2 3.78Å; Y661-W704 AromaticContact CZ-CZ2 3.91Å
662	H	93.1	Very high	94.2	Very high	158 Å²	158	35.5 Å²	35.5	73%	0.731	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-63.1	-14.7	177.8	-61.4	-76.8	0	0	0	114.8	N660	N660-H662 PolarHBondContact O-N 3.05Å; N660-H662 VanDerWaalsContact O-N 3.15Å
663	R	94.5	Very high	94.3	Very high	168 Å²	168	34.9 Å²	34.9	63%	0.634	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-100.8	-5.1	175.3	-65.6	-177.1	168.8	-175.8	-3.8	112.9	R631 L659 N660 Y661	R631-R663 PolarHBondContact NH1-O 3.04Å; R631-R663 PolarHBondContact NH2-O 3.37Å; L659-R663 HydrophobicContact CD1-CB 3.7Å; L659-R663 HydrophobicContact CG-CB 4.21Å; N660-R663 WeakPolarHBondContact O-CA 3.45Å; N660-R663 WeakPolarHBondContact O-CB 3.38Å; N660-R663 PolarHBondContact O-N 2.89Å; Y661-R663 PolarHBondContact O-N 3.49Å; Y661-R663 VanDerWaalsContact O-N 3.08Å
664	N	97.4	Very high	94.4	Very high	7 Å²	7	35 Å²	35	4%	0.037	17%	0.171	C	C	.	.			trans	-62.5	133.3	177.1	-169.5	-59.8	0	0	0	110	M649 N654 N660 Y661 L666 P667 W704	M649-N664 WeakPolarHBondContact CE-OD1 3.45Å; N654-N664 PolarHBondContact OD1-ND2 3.27Å; N660-N664 PolarHBondContact O-N 3.39Å; Y661-N664 VanDerWaalsContact O-CB 3.31Å; Y661-N664 WeakPolarHBondContact O-CB 3.5Å; Y661-N664 PolarHBondContact O-N 3.02Å; N664-L666 VanDerWaalsContact C-N 3.27Å; N664-L666 PolarHBondContact O-N 2.91Å; N664-L666 WeakPolarHBondContact OD1-CB 3.37Å; N664-L666 PolarHBondContact OD1-N 3.22Å; N664-P667 WeakPolarHBondContact O-CD 2.83Å; N664-W704 HydrophobicContact CB-CH2 4.38Å; N664-W704 HydrophobicContact CB-CZ2 3.95Å
665	P	97.6	Very high	94.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.013	18%	0.179	C	C	.	.	S	Bend	trans	-79.7	1.5	-173.9	33.3	-36.3	0	0	0	114.7	L628 R631 M649 E668 Y669	L628-P665 HydrophobicContact CD2-CG 4.26Å; R631-P665 HydrophobicContact CB-CB 4.26Å; M649-P665 HydrophobicContact CE-CG 4.11Å; P665-E668 WeakPolarHBondContact O-CA 3.35Å; P665-E668 VanDerWaalsContact O-CB 3.27Å; P665-E668 WeakPolarHBondContact O-CB 3.32Å; P665-E668 PolarHBondContact O-N 3.3Å; P665-Y669 HydrophobicContact CB-CD1 4.07Å; P665-Y669 HydrophobicContact CB-CE1 3.59Å; P665-Y669 HydrophobicContact CB-CE2 4.23Å; P665-Y669 HydrophobicContact CG-CE1 4.04Å; P665-Y669 HydrophobicContact CG-CE2 3.87Å; P665-Y669 WeakPolarHBondContact CG-OH 3.4Å; P665-Y669 PolarHBondContact O-N 3.28Å
666	L	97.9	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-49.6	-48.1	-178.7	-172.9	164.4	0	0	0	113.9	M649 P651 N664 E668 Y669 L670 I676 L678 W704	M649-L666 HydrophobicContact CB-CD1 3.94Å; M649-L666 HydrophobicContact CE-CB 3.9Å; M649-L666 HydrophobicContact SD-CB 3.88Å; M649-L666 HydrophobicContact SD-CD1 4.35Å; M649-L666 HydrophobicContact SD-CG 4.01Å; P651-L666 HydrophobicContact CG-CD1 3.62Å; N664-L666 VanDerWaalsContact C-N 3.27Å; N664-L666 PolarHBondContact O-N 2.91Å; N664-L666 WeakPolarHBondContact OD1-CB 3.37Å; N664-L666 PolarHBondContact OD1-N 3.22Å; L666-E668 VanDerWaalsContact C-N 3.28Å; L666-E668 PolarHBondContact O-N 3.48Å; L666-Y669 PolarHBondContact O-N 3.1Å; L666-L670 WeakPolarHBondContact O-CB 3.32Å; L666-L670 PolarHBondContact O-N 3.36Å; L666-I676 HydrophobicContact CB-CD1 4.44Å; L666-I676 HydrophobicContact CD2-CD1 3.94Å; L666-I676 HydrophobicContact CG-CD1 3.68Å; L666-I676 VanDerWaalsContact O-CD1 3.22Å; L666-I676 WeakPolarHBondContact O-CD1 3.34Å; L666-L678 HydrophobicContact CD1-CD2 3.39Å; L666-L678 HydrophobicContact CD1-CG 4.05Å; L666-W704 HydrophobicContact CB-CH2 4.05Å; L666-W704 HydrophobicContact CB-CZ3 4.17Å; L666-W704 HydrophobicContact CD1-CH2 4.26Å; L666-W704 HydrophobicContact CD1-CZ3 4.02Å; L666-W704 HydrophobicContact CD2-CE3 4.31Å; L666-W704 HydrophobicContact CD2-CZ3 3.82Å; L666-W704 HydrophobicContact CG-CZ3 4.23Å
667	P	97.6	Very high	95.4	Very high	37 Å²	37	32.5 Å²	32.5	24%	0.24	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-32.4	176.9	-22.2	35	0	0	0	113.4	N664 A671 W704	N664-P667 WeakPolarHBondContact O-CD 2.83Å; P667-A671 VanDerWaalsContact O-CB 3.28Å; P667-A671 WeakPolarHBondContact O-CB 3.03Å; P667-A671 PolarHBondContact O-N 3.48Å; P667-W704 HydrophobicContact CB-CB 4.49Å; P667-W704 HydrophobicContact CB-CG 4.44Å; P667-W704 HydrophobicContact CG-CB 3.87Å; P667-W704 HydrophobicContact CG-CD2 3.3Å; P667-W704 HydrophobicContact CG-CE3 3.72Å; P667-W704 HydrophobicContact CG-CG 3.38Å; P667-W704 HydrophobicContact CG-CZ2 4.25Å; P667-W704 HydrophobicContact CG-CZ3 4.33Å
668	E	97.6	Very high	96.1	Very high	70 Å²	70	32.3 Å²	32.3	33%	0.327	15%	0.154	S	C	.	.	H	α-helix	trans	-70.7	-41.9	179	-164	-174.5	173.5	0	0	110.7	P665 L666 R672	P665-E668 WeakPolarHBondContact O-CA 3.35Å; P665-E668 VanDerWaalsContact O-CB 3.27Å; P665-E668 WeakPolarHBondContact O-CB 3.32Å; P665-E668 PolarHBondContact O-N 3.3Å; L666-E668 VanDerWaalsContact C-N 3.28Å; L666-E668 PolarHBondContact O-N 3.48Å; E668-R672 VanDerWaalsContact CD-NH1 3.29Å; E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 VanDerWaalsContact O-CG 3.29Å; E668-R672 WeakPolarHBondContact O-CG 3.49Å; E668-R672 PolarHBondContact O-N 3.28Å; E668-R672 VanDerWaalsContact O-N 3.09Å; E668-R672 IonicContact OE1-CZ 3.53Å; E668-R672 IonicContact OE1-NH1 3.86Å; E668-R672 PolarHBondContact OE1-NH1 3.29Å; E668-R672 IonicContact OE1-NH2 3.61Å; E668-R672 PolarHBondContact OE1-NH2 2.94Å
669	Y	98.6	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-42.1	174.6	-66.2	-1.7	0	0	0	111.6	G627 L628 L630 R631 Q637 I647 M649 P665 L666 R672 G673 L674 I676	G627-Y669 PolarHBondContact O-OH 2.97Å; L628-Y669 PolarHBondContact O-OH 2.82Å; L630-Y669 WeakPolarHBondContact CB-OH 3.36Å; R631-Y669 PolarHBondContact N-OH 2.81Å; Q637-Y669 HydrophobicContact CG-CE1 4.32Å; I647-Y669 HydrophobicContact CD1-CD2 4.38Å; M649-Y669 HydrophobicContact CE-CD2 4.04Å; M649-Y669 HydrophobicContact CE-CE2 3.95Å; M649-Y669 HydrophobicContact SD-CD2 3.73Å; M649-Y669 HydrophobicContact SD-CE2 4.15Å; P665-Y669 HydrophobicContact CB-CD1 4.07Å; P665-Y669 HydrophobicContact CB-CE1 3.59Å; P665-Y669 HydrophobicContact CB-CE2 4.23Å; P665-Y669 HydrophobicContact CG-CE1 4.04Å; P665-Y669 HydrophobicContact CG-CE2 3.87Å; P665-Y669 WeakPolarHBondContact CG-OH 3.4Å; P665-Y669 PolarHBondContact O-N 3.28Å; L666-Y669 PolarHBondContact O-N 3.1Å; Y669-R672 PolarHBondContact O-N 2.62Å; Y669-G673 PolarHBondContact O-N 3.25Å; Y669-L674 HydrophobicContact CG-CD2 4.28Å; Y669-L674 PolarHBondContact O-N 2.71Å; Y669-L674 VanDerWaalsContact O-N 3.08Å; Y669-I676 HydrophobicContact CD2-CG2 4.4Å
670	L	98.4	Very high	97.2	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-66.7	-40.4	176.8	-175.4	60.9	0	0	0	111.6	L666 R672 G673 I676 L706 D710 E713 L714 R760	L666-L670 WeakPolarHBondContact O-CB 3.32Å; L666-L670 PolarHBondContact O-N 3.36Å; L670-R672 VanDerWaalsContact C-N 3.31Å; L670-R672 PolarHBondContact O-N 2.98Å; L670-G673 PolarHBondContact O-N 2.78Å; L670-I676 HydrophobicContact CB-CD1 3.84Å; L670-L706 HydrophobicContact CD2-CD2 4.37Å; L670-D710 HydrophobicContact CD2-CB 4.16Å; L670-E713 HydrophobicContact CD1-CG 4.39Å; L670-L714 HydrophobicContact CD1-CD2 4.08Å; L670-L714 HydrophobicContact CD1-CG 4.37Å; L670-L714 HydrophobicContact CD2-CD1 4.09Å; L670-L714 HydrophobicContact CD2-CD2 4.17Å; L670-L714 HydrophobicContact CD2-CG 4.03Å; L670-R760 PolarHBondContact O-NH1 3.09Å; L670-R760 PolarHBondContact O-NH2 3.43Å
671	A	97.9	Very high	97.5	Very high	16 Å²	16	25.8 Å²	25.8	13%	0.132	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-45.7	173	0	0	0	0	0	110.8	Y303 P667 G673 R760	Y303-A671 VanDerWaalsContact CB-O 3.24Å; Y303-A671 WeakPolarHBondContact CB-O 3.48Å; Y303-A671 HydrophobicContact CD1-CB 3.63Å; Y303-A671 HydrophobicContact CE1-CB 4.22Å; Y303-A671 HydrophobicContact CG-CB 4.27Å; P667-A671 VanDerWaalsContact O-CB 3.28Å; P667-A671 WeakPolarHBondContact O-CB 3.03Å; P667-A671 PolarHBondContact O-N 3.48Å; A671-G673 VanDerWaalsContact C-N 3.26Å; A671-G673 PolarHBondContact O-N 2.7Å; A671-R760 PolarHBondContact O-NH1 3.22Å
672	R	98.4	Very high	97.6	Very high	19 Å²	19	25.1 Å²	25.1	7%	0.072	12%	0.118	C	C	.	.	H	α-helix	trans	-68.3	-17.9	178.6	-72.1	176	178	138.3	22.3	114.9	L296 L299 S300 Q637 Y641 E668 Y669 L670 L674	L296-R672 PolarHBondContact O-NE 3.03Å; L299-R672 HydrophobicContact CB-CB 4.26Å; L299-R672 HydrophobicContact CB-CG 4.07Å; S300-R672 WeakPolarHBondContact OG-CG 3.33Å; S300-R672 PolarHBondContact OG-NE 3.33Å; S300-R672 PolarHBondContact OG-NH2 3.3Å; Q637-R672 VanDerWaalsContact OE1-CD 3.32Å; Y641-R672 WeakPolarHBondContact CD2-O 3.47Å; Y641-R672 VanDerWaalsContact CE2-O 3.27Å; Y641-R672 WeakPolarHBondContact CE2-O 3.41Å; E668-R672 VanDerWaalsContact CD-NH1 3.29Å; E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 VanDerWaalsContact O-CG 3.29Å; E668-R672 WeakPolarHBondContact O-CG 3.49Å; E668-R672 PolarHBondContact O-N 3.28Å; E668-R672 VanDerWaalsContact O-N 3.09Å; E668-R672 IonicContact OE1-CZ 3.53Å; E668-R672 IonicContact OE1-NH1 3.86Å; E668-R672 PolarHBondContact OE1-NH1 3.29Å; E668-R672 IonicContact OE1-NH2 3.61Å; E668-R672 PolarHBondContact OE1-NH2 2.94Å; Y669-R672 PolarHBondContact O-N 2.62Å; L670-R672 VanDerWaalsContact C-N 3.31Å; L670-R672 PolarHBondContact O-N 2.98Å; R672-L674 HydrophobicContact CB-CD1 3.68Å
673	G	98.3	Very high	97.7	Very high	7 Å²	7	17.6 Å²	17.6	7%	0.072	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	29.7	-179.5	0	0	0	0	0	114	Y641 Q644 Y669 L670 A671	Y641-G673 WeakPolarHBondContact CD2-O 3.34Å; Q644-G673 PolarHBondContact NE2-O 2.98Å; Y669-G673 PolarHBondContact O-N 3.25Å; L670-G673 PolarHBondContact O-N 2.78Å; A671-G673 VanDerWaalsContact C-N 3.26Å; A671-G673 PolarHBondContact O-N 2.7Å
674	L	98.6	Very high	97.7	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.016	5%	0.053	C	C	.	.			trans	-70.9	145.8	162.5	-75.9	76.7	0	0	0	109	Q637 I647 Y669 R672 I676	Q637-L674 HydrophobicContact CG-CD2 3.96Å; I647-L674 HydrophobicContact CD1-CD2 3.96Å; Y669-L674 HydrophobicContact CG-CD2 4.28Å; Y669-L674 PolarHBondContact O-N 2.71Å; Y669-L674 VanDerWaalsContact O-N 3.08Å; R672-L674 HydrophobicContact CB-CD1 3.68Å; L674-I676 HydrophobicContact CB-CG2 3.91Å; L674-I676 PolarHBondContact O-N 3.4Å
675	I	98	Very high	97.5	Very high	32 Å²	32	9.3 Å²	9.3	16%	0.164	5%	0.052	C	C	.	.			trans	-79.5	92.5	179.4	-61.6	-57.2	0	0	0	109.2	Q644 G646 I647 N717 M721	Q644-I675 HydrophobicContact CB-CG1 3.94Å; Q644-I675 HydrophobicContact CG-CG1 4.46Å; G646-I675 CarbonylContact C-O 3.3Å; G646-I675 VanDerWaalsContact CA-O 3.26Å; G646-I675 WeakPolarHBondContact CA-O 3.48Å; I647-I675 PolarHBondContact N-O 3.2Å; I675-N717 HydrophobicContact CG2-CB 4.22Å; I675-M721 HydrophobicContact CG2-CE 4.06Å
676	I	98.4	Very high	97.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154.7	-178.2	80	-171.1	0	0	0	111.8	I647 M649 L666 Y669 L670 L674 L714 N717	I647-I676 HydrophobicContact CB-CB 4.45Å; I647-I676 HydrophobicContact CB-CG2 4.01Å; I647-I676 HydrophobicContact CD1-CG2 4.24Å; I647-I676 HydrophobicContact CG1-CG2 4.39Å; I647-I676 VanDerWaalsContact O-CA 3.27Å; I647-I676 WeakPolarHBondContact O-CA 3.43Å; M649-I676 HydrophobicContact SD-CB 4.33Å; M649-I676 HydrophobicContact SD-CD1 4.19Å; M649-I676 HydrophobicContact SD-CG2 4.39Å; L666-I676 HydrophobicContact CB-CD1 4.44Å; L666-I676 HydrophobicContact CD2-CD1 3.94Å; L666-I676 HydrophobicContact CG-CD1 3.68Å; L666-I676 VanDerWaalsContact O-CD1 3.22Å; L666-I676 WeakPolarHBondContact O-CD1 3.34Å; Y669-I676 HydrophobicContact CD2-CG2 4.4Å; L670-I676 HydrophobicContact CB-CD1 3.84Å; L674-I676 HydrophobicContact CB-CG2 3.91Å; L674-I676 PolarHBondContact O-N 3.4Å; I676-L714 HydrophobicContact CD1-CD2 4.35Å; I676-L714 HydrophobicContact CG1-CD2 3.64Å; I676-L714 WeakPolarHBondContact O-CD2 3.41Å; I676-N717 VanDerWaalsContact O-CB 3.23Å; I676-N717 WeakPolarHBondContact O-CB 3.03Å; I676-N717 PolarHBondContact O-ND2 3.4Å
677	S	98.4	Very high	97.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.1	171.8	51.6	0	0	0	0	111.2	T334 I647 M649 M721	T334-S677 PolarHBondContact OG1-OG 3.48Å; I647-S677 PolarHBondContact O-N 3.32Å; M649-S677 PolarHBondContact N-O 2.83Å; S677-M721 VanDerWaalsContact OG-CE 3.3Å; S677-M721 WeakPolarHBondContact OG-CE 3.26Å; S677-M721 PolarHBondContact OG-SD 3.18Å
678	L	98.5	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.4	164	-76.8	165.4	0	0	0	110.2	M649 P651 L666 E696 Y697 A700 L714	M649-L678 WeakPolarHBondContact O-CA 3.39Å; P651-L678 HydrophobicContact CG-CD2 3.65Å; L666-L678 HydrophobicContact CD1-CD2 3.39Å; L666-L678 HydrophobicContact CD1-CG 4.05Å; L678-E696 HydrophobicContact CD2-CB 4.5Å; L678-Y697 HydrophobicContact CB-CD2 4.16Å; L678-Y697 HydrophobicContact CB-CE2 3.85Å; L678-Y697 HydrophobicContact CD1-CD1 3.67Å; L678-Y697 HydrophobicContact CD1-CD2 4.12Å; L678-Y697 HydrophobicContact CD1-CE1 3.97Å; L678-Y697 HydrophobicContact CD1-CE2 4.36Å; L678-Y697 HydrophobicContact CD1-CG 3.76Å; L678-A700 HydrophobicContact CD1-CB 3.8Å; L678-A700 HydrophobicContact CD2-CB 4.35Å; L678-L714 HydrophobicContact CD1-CD1 4.01Å; L678-L714 HydrophobicContact CG-CD1 4.4Å
679	S	98.2	Very high	96.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.			trans	-147.3	165.9	179.6	48.8	0	0	0	0	110.8	D333 H335 M649 S650	D333-S679 VanDerWaalsContact OD1-CA 3.23Å; D333-S679 WeakPolarHBondContact OD1-CA 3.36Å; D333-S679 WeakPolarHBondContact OD1-CB 3.32Å; H335-S679 WeakPolarHBondContact CB-OG 3.35Å; H335-S679 VanDerWaalsContact N-CB 3.29Å; H335-S679 WeakPolarHBondContact O-CB 3.48Å; M649-S679 VanDerWaalsContact C-OG 3.22Å; M649-S679 PolarHBondContact N-OG 2.71Å; M649-S679 PolarHBondContact O-N 2.82Å; M649-S679 PolarHBondContact O-OG 3.09Å; M649-S679 VanDerWaalsContact O-OG 3.07Å; S650-S679 VanDerWaalsContact CA-O 3.3Å; S650-S679 WeakPolarHBondContact CA-O 3.49Å; S650-S679 WeakPolarHBondContact CB-O 3.34Å; S650-S679 PolarHBondContact OG-O 2.64Å; S650-S679 PolarHBondContact OG-OG 3.18Å
680	T	98.1	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.			trans	-108.4	-15.2	-166.9	63.9	0	0	0	0	116.4	D333 H335 D682 P683 H687 P692 L693 E696	D333-T680 PolarHBondContact OD1-N 3Å; D333-T680 VanDerWaalsContact OD2-CB 3.3Å; D333-T680 WeakPolarHBondContact OD2-CB 3.4Å; D333-T680 WeakPolarHBondContact OD2-CG2 3.36Å; D333-T680 PolarHBondContact OD2-N 2.67Å; D333-T680 PolarHBondContact OD2-OG1 3.11Å; H335-T680 PolarHBondContact O-N 2.92Å; H335-T680 VanDerWaalsContact O-N 3.15Å; T680-D682 PolarHBondContact O-N 3.08Å; T680-P683 VanDerWaalsContact OG1-CG 3.32Å; T680-P683 WeakPolarHBondContact OG1-CG 3.28Å; T680-H687 PolarHBondContact O-CE1 2.93Å; T680-P692 HydrophobicContact CG2-CB 3.87Å; T680-L693 VanDerWaalsContact CG2-CA 3.46Å; T680-L693 HydrophobicContact CG2-CB 4.01Å; T680-L693 HydrophobicContact CG2-CD1 4.13Å; T680-E696 HydrophobicContact CG2-CG 4.49Å
681	D	96.9	Very high	96.2	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.027	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	63.4	-87.7	180	-142.1	-6.6	0	0	0	112.4	H335 I336 H337 H626 S653 F686	H335-D681 IonicContact CE1-OD1 3.24Å; H335-D681 PolarHBondContact CE1-OD1 3.37Å; H335-D681 IonicContact ND1-OD1 2.71Å; H335-D681 IonicContact NE2-OD1 2.7Å; H335-D681 WeakPolarHBondContact O-CA 3.36Å; H335-D681 PolarHBondContact O-N 2.88Å; I336-D681 WeakPolarHBondContact CA-O 3.29Å; H337-D681 IonicContact CD2-OD1 3.79Å; H337-D681 PolarHBondContact N-O 2.82Å; H337-D681 IonicContact NE2-OD1 2.68Å; H626-D681 IonicContact CE1-OD2 2.93Å; H626-D681 PolarHBondContact CE1-OD2 3.31Å; S653-D681 WeakPolarHBondContact CB-OD2 3.25Å; S653-D681 PolarHBondContact OG-OD2 2.9Å; D681-F686 HydrophobicContact CB-CD2 4.45Å; D681-F686 HydrophobicContact CB-CE2 4.36Å
682	D	96.8	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.			trans	-126.4	89.7	175.6	-62.7	-82.5	0	0	0	110.9	H337 S340 F407 Y411 T680 L684 Q685 F686	H337-D682 IonicContact CD2-OD1 2.78Å; H337-D682 IonicContact CD2-OD2 3.86Å; S340-D682 WeakPolarHBondContact CB-OD1 3.27Å; S340-D682 PolarHBondContact OG-OD1 2.99Å; F407-D682 WeakPolarHBondContact CE2-OD2 3.41Å; F407-D682 WeakPolarHBondContact CZ-OD2 3.47Å; Y411-D682 WeakPolarHBondContact CE1-OD1 3.06Å; Y411-D682 VanDerWaalsContact CZ-OD1 3.22Å; Y411-D682 VanDerWaalsContact OH-CG 3.29Å; Y411-D682 PolarHBondContact OH-OD1 3Å; Y411-D682 PolarHBondContact OH-OD2 3.29Å; T680-D682 PolarHBondContact O-N 3.08Å; D682-L684 PolarHBondContact O-N 2.79Å; D682-L684 VanDerWaalsContact O-N 3.16Å; D682-Q685 HydrophobicContact CB-CB 3.84Å; D682-Q685 HydrophobicContact CB-CG 4.21Å; D682-Q685 PolarHBondContact O-N 3.08Å; D682-F686 HydrophobicContact CB-CD2 3.86Å; D682-F686 HydrophobicContact CB-CE2 3.79Å; D682-F686 WeakPolarHBondContact O-CD2 3.32Å; D682-F686 PolarHBondContact O-N 3.46Å
683	P	96.8	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-49.1	-36.2	170.7	-33.6	37.6	0	0	0	115.5	I336 S340 T680 Q685 H687 P692	I336-P683 HydrophobicContact CD1-CG 3.9Å; I336-P683 HydrophobicContact CG1-CG 4.33Å; S340-P683 WeakPolarHBondContact O-CB 3.44Å; S340-P683 VanDerWaalsContact O-CD 3.29Å; S340-P683 WeakPolarHBondContact O-CD 3.4Å; T680-P683 VanDerWaalsContact OG1-CG 3.32Å; T680-P683 WeakPolarHBondContact OG1-CG 3.28Å; P683-Q685 VanDerWaalsContact C-N 3.34Å; P683-Q685 PolarHBondContact O-N 3.02Å; P683-H687 WeakPolarHBondContact O-CB 3.2Å; P683-H687 PolarHBondContact O-N 3.27Å; P683-H687 VanDerWaalsContact O-N 3.17Å; P683-P692 HydrophobicContact CB-CB 3.84Å; P683-P692 HydrophobicContact CB-CG 3.65Å; P683-P692 HydrophobicContact CG-CB 3.84Å; P683-P692 HydrophobicContact CG-CG 4.02Å
684	L	94.5	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-39.7	177.2	179.6	62.5	0	0	0	112.4	S340 M342 Q344 L347 V394 L424 D682	S340-L684 WeakPolarHBondContact O-CB 3.13Å; S340-L684 PolarHBondContact O-N 3.3Å; M342-L684 HydrophobicContact CE-CD2 4.44Å; M342-L684 VanDerWaalsContact O-CA 3.27Å; M342-L684 WeakPolarHBondContact O-CA 3.47Å; M342-L684 VanDerWaalsContact O-CB 3.28Å; M342-L684 WeakPolarHBondContact O-CB 3.37Å; M342-L684 PolarHBondContact O-N 2.89Å; Q344-L684 HydrophobicContact CB-CD1 4.23Å; L347-L684 HydrophobicContact CB-CD1 4.16Å; L347-L684 HydrophobicContact CD2-CD1 3.81Å; L347-L684 HydrophobicContact CD2-CD2 4.06Å; V394-L684 HydrophobicContact CB-CD1 4.09Å; V394-L684 HydrophobicContact CB-CD2 4.46Å; V394-L684 HydrophobicContact CB-CG 4.03Å; V394-L684 HydrophobicContact CG1-CD1 4.45Å; V394-L684 HydrophobicContact CG1-CD2 4.43Å; V394-L684 HydrophobicContact CG1-CG 4.48Å; V394-L684 HydrophobicContact CG2-CD1 3.73Å; V394-L684 HydrophobicContact CG2-CG 4.19Å; L424-L684 HydrophobicContact CD1-CD2 4.46Å; D682-L684 PolarHBondContact O-N 2.79Å; D682-L684 VanDerWaalsContact O-N 3.16Å
685	Q	92.2	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-85.8	-35.9	-177.9	-81.4	82.4	-46	0	0	113.2	V394 H395 A396 F407 K410 Y411 D682 P683	V394-Q685 WeakPolarHBondContact O-CA 3.28Å; V394-Q685 WeakPolarHBondContact O-CG 3.36Å; H395-Q685 PolarHBondContact CE1-O 2.95Å; H395-Q685 VanDerWaalsContact CE1-O 3.26Å; H395-Q685 PolarHBondContact ND1-O 3.21Å; A396-Q685 HydrophobicContact CB-CB 4.49Å; A396-Q685 PolarHBondContact N-O 2.99Å; F407-Q685 HydrophobicContact CD2-CG 4.27Å; F407-Q685 HydrophobicContact CE2-CG 4.04Å; K410-Q685 HydrophobicContact CB-CG 3.96Å; Y411-Q685 VanDerWaalsContact CD1-NE2 3.26Å; Y411-Q685 VanDerWaalsContact CZ-NE2 3.29Å; D682-Q685 HydrophobicContact CB-CB 3.84Å; D682-Q685 HydrophobicContact CB-CG 4.21Å; D682-Q685 PolarHBondContact O-N 3.08Å; P683-Q685 VanDerWaalsContact C-N 3.34Å; P683-Q685 PolarHBondContact O-N 3.02Å
686	F	93.8	Very high	95.9	Very high	9 Å²	9	22 Å²	22	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-117.8	-10.5	-163.8	-53.4	-57.7	0	0	0	115.9	A396 F407 L652 S653 S656 L657 D681 D682	A396-F686 HydrophobicContact CB-CD1 3.66Å; A396-F686 HydrophobicContact CB-CE1 3.47Å; A396-F686 VanDerWaalsContact CB-CE1 3.47Å; F407-F686 AromaticContact CD2-CZ 3.93Å; F407-F686 HydrophobicContact CD2-CZ 3.93Å; F407-F686 HydrophobicContact CE2-CE2 4.01Å; F407-F686 AromaticContact CE2-CZ 3.6Å; F407-F686 HydrophobicContact CE2-CZ 3.6Å; L652-F686 HydrophobicContact CB-CB 4.41Å; S653-F686 VanDerWaalsContact CB-CE2 3.4Å; S653-F686 VanDerWaalsContact OG-CE2 3.28Å; S653-F686 WeakPolarHBondContact OG-CE2 3.45Å; S656-F686 VanDerWaalsContact CB-CE1 3.48Å; L657-F686 HydrophobicContact CD1-CZ 4.06Å; L657-F686 HydrophobicContact CD2-CE1 4.41Å; L657-F686 HydrophobicContact CD2-CZ 4.3Å; L657-F686 HydrophobicContact CG-CE1 4.34Å; L657-F686 HydrophobicContact CG-CZ 4.04Å; D681-F686 HydrophobicContact CB-CD2 4.45Å; D681-F686 HydrophobicContact CB-CE2 4.36Å; D682-F686 HydrophobicContact CB-CD2 3.86Å; D682-F686 HydrophobicContact CB-CE2 3.79Å; D682-F686 WeakPolarHBondContact O-CD2 3.32Å; D682-F686 PolarHBondContact O-N 3.46Å
687	H	95.5	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.			trans	-122.3	150.7	-168.9	-65	72.7	0	0	0	113.6	T680 P683 P692 E695 E696	T680-H687 PolarHBondContact O-CE1 2.93Å; P683-H687 WeakPolarHBondContact O-CB 3.2Å; P683-H687 PolarHBondContact O-N 3.27Å; P683-H687 VanDerWaalsContact O-N 3.17Å; H687-P692 HydrophobicContact CB-CB 4.06Å; H687-P692 HydrophobicContact CB-CG 4.45Å; H687-P692 PolarHBondContact CD2-O 2.93Å; H687-P692 VanDerWaalsContact CD2-O 3.22Å; H687-P692 PolarHBondContact NE2-O 3.19Å; H687-E695 IonicContact CD2-OE2 2.69Å; H687-E696 WeakPolarHBondContact NE2-CG 3.21Å
688	F	92.5	Very high	95.9	Very high	137 Å²	137	24.7 Å²	24.7	60%	0.601	13%	0.125	S	C	*	.			trans	-112.3	-22.4	-178.5	-66	-83.7	0	0	0	114.5	H395 E695	H395-F688 AromaticContact CD2-CZ 4Å; H395-F688 AromaticContact CE1-CE1 3.85Å; H395-F688 AromaticContact CE1-CE2 3.67Å; H395-F688 AromaticContact CE1-CZ 3.41Å; H395-F688 VanDerWaalsContact CE1-CZ 3.41Å; H395-F688 WeakPolarHBondContact CE1-CZ 3.48Å; H395-F688 AromaticContact NE2-CE1 3.86Å; H395-F688 AromaticContact NE2-CE2 3.57Å; H395-F688 AromaticContact NE2-CZ 3.12Å; H395-F688 WeakPolarHBondContact NE2-CZ 3.33Å; F688-E695 PolarHBondContact N-OE1 2.96Å; F688-E695 PolarHBondContact N-OE2 3.49Å; F688-E695 VanDerWaalsContact N-OE2 3.12Å
689	T	93.7	Very high	95.8	Very high	61 Å²	61	27.4 Å²	27.4	37%	0.374	14%	0.138	S	C	.	.	S	Bend	trans	-89.5	169.7	-172.6	69.3	0	0	0	0	113.9	N343 E691 E695	N343-T689 PolarHBondContact ND2-O 3.46Å; T689-E691 PolarHBondContact O-N 2.94Å; T689-E691 PolarHBondContact OG1-N 3.07Å; T689-E691 PolarHBondContact OG1-O 3.24Å; T689-E695 VanDerWaalsContact CB-OE2 3.25Å; T689-E695 WeakPolarHBondContact CB-OE2 3.37Å; T689-E695 HydrophobicContact CG2-CB 4.08Å; T689-E695 HydrophobicContact CG2-CG 4.12Å; T689-E695 VanDerWaalsContact CG2-OE2 3.3Å; T689-E695 WeakPolarHBondContact CG2-OE2 3.27Å; T689-E695 PolarHBondContact N-OE2 3.17Å; T689-E695 WeakPolarHBondContact OG1-CB 3.38Å; T689-E695 PolarHBondContact OG1-OE2 2.98Å
690	K	90.4	Very high	95.8	Very high	106 Å²	106	27.4 Å²	27.4	46%	0.461	14%	0.138	S	C	.	.	S	Bend	trans	-71.5	-16.9	172.1	-159.1	-137.8	174.7	-166	0	112.7	D445 E448	D445-K690 WeakPolarHBondContact OD1-CE 3.49Å; D445-K690 IonicContact OD1-NZ 2.84Å; D445-K690 PolarHBondContact OD1-NZ 3.11Å; D445-K690 WeakPolarHBondContact OD2-CE 3.48Å; D445-K690 IonicContact OD2-NZ 2.7Å; E448-K690 IonicContact OE2-NZ 3.69Å; E448-K690 PolarHBondContact OE2-NZ 3.01Å
691	E	93.4	Very high	95.7	Very high	76 Å²	76	28.2 Å²	28.2	36%	0.355	15%	0.145	S	C	.	.			trans	-128.8	75.5	-174.8	-63.8	-175.3	97.6	0	0	109.8	S449 Q452 T689 L693 M694 E695	S449-E691 PolarHBondContact OG-OE1 3.48Å; Q452-E691 PolarHBondContact NE2-OE1 2.89Å; T689-E691 PolarHBondContact O-N 2.94Å; T689-E691 PolarHBondContact OG1-N 3.07Å; T689-E691 PolarHBondContact OG1-O 3.24Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 3.48Å; E691-L693 VanDerWaalsContact O-N 3.17Å; E691-M694 HydrophobicContact CB-CB 3.96Å; E691-M694 HydrophobicContact CB-CG 4.18Å; E691-M694 WeakPolarHBondContact O-CA 3.41Å; E691-M694 WeakPolarHBondContact O-CB 3.47Å; E691-M694 PolarHBondContact O-N 3.47Å; E691-E695 PolarHBondContact O-N 2.91Å; E691-E695 VanDerWaalsContact O-N 3.13Å
692	P	96.6	Very high	95.7	Very high	20 Å²	20	34.4 Å²	34.4	13%	0.13	17%	0.174	C	C	.	.	H	α-helix	trans	-52.5	-41.9	-170.2	-30.1	37.6	0	0	0	114	T680 P683 H687 M694 E695 E696	T680-P692 HydrophobicContact CG2-CB 3.87Å; P683-P692 HydrophobicContact CB-CB 3.84Å; P683-P692 HydrophobicContact CB-CG 3.65Å; P683-P692 HydrophobicContact CG-CB 3.84Å; P683-P692 HydrophobicContact CG-CG 4.02Å; H687-P692 HydrophobicContact CB-CB 4.06Å; H687-P692 HydrophobicContact CB-CG 4.45Å; H687-P692 PolarHBondContact CD2-O 2.93Å; H687-P692 VanDerWaalsContact CD2-O 3.22Å; H687-P692 PolarHBondContact NE2-O 3.19Å; P692-M694 VanDerWaalsContact C-N 3.32Å; P692-M694 PolarHBondContact O-N 2.92Å; P692-E695 WeakPolarHBondContact O-CB 3.34Å; P692-E695 PolarHBondContact O-N 3.44Å; P692-E695 VanDerWaalsContact O-N 3.09Å; P692-E696 PolarHBondContact O-N 3.47Å; P692-E696 VanDerWaalsContact O-N 3.12Å
693	L	97.6	Very high	95.7	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-41	177.9	-173.3	66.4	0	0	0	111.3	K331 D333 T680 E691 E695 E696 Y697	K331-L693 HydrophobicContact CD-CD2 4.33Å; K331-L693 HydrophobicContact CG-CD2 3.96Å; D333-L693 HydrophobicContact CB-CD1 4.15Å; D333-L693 HydrophobicContact CB-CD2 4.14Å; T680-L693 VanDerWaalsContact CG2-CA 3.46Å; T680-L693 HydrophobicContact CG2-CB 4.01Å; T680-L693 HydrophobicContact CG2-CD1 4.13Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 3.48Å; E691-L693 VanDerWaalsContact O-N 3.17Å; L693-E695 VanDerWaalsContact C-N 3.26Å; L693-E695 PolarHBondContact O-N 3.38Å; L693-E696 PolarHBondContact O-N 2.95Å; L693-Y697 HydrophobicContact CD1-CD2 4.15Å; L693-Y697 HydrophobicContact CD1-CE2 3.89Å; L693-Y697 HydrophobicContact CD2-CE2 4.37Å; L693-Y697 HydrophobicContact CG-CD2 3.97Å; L693-Y697 HydrophobicContact CG-CE2 3.91Å; L693-Y697 VanDerWaalsContact O-CD2 3.28Å; L693-Y697 WeakPolarHBondContact O-CD2 3.33Å; L693-Y697 PolarHBondContact O-N 3.2Å
694	M	96.9	Very high	95.7	Very high	19 Å²	19	38.8 Å²	38.8	9%	0.094	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-23.5	177	-67.5	-66.9	-64.8	0	0	112.8	F326 Y327 K331 E691 P692 S698	F326-M694 HydrophobicContact CD1-CE 4.32Å; F326-M694 HydrophobicContact CE1-CE 3.64Å; F326-M694 HydrophobicContact CE1-SD 4.01Å; F326-M694 HydrophobicContact CZ-CE 4.42Å; F326-M694 HydrophobicContact CZ-SD 4.2Å; Y327-M694 HydrophobicContact CD1-CE 3.62Å; Y327-M694 HydrophobicContact CE1-CE 3.59Å; K331-M694 HydrophobicContact CD-SD 3.94Å; K331-M694 PolarHBondContact NZ-SD 3.31Å; E691-M694 HydrophobicContact CB-CB 3.96Å; E691-M694 HydrophobicContact CB-CG 4.18Å; E691-M694 WeakPolarHBondContact O-CA 3.41Å; E691-M694 WeakPolarHBondContact O-CB 3.47Å; E691-M694 PolarHBondContact O-N 3.47Å; P692-M694 VanDerWaalsContact C-N 3.32Å; P692-M694 PolarHBondContact O-N 2.92Å; M694-S698 WeakPolarHBondContact O-CB 3.48Å; M694-S698 PolarHBondContact O-N 3.44Å; M694-S698 PolarHBondContact O-OG 3.11Å
695	E	97.6	Very high	95.8	Very high	21 Å²	21	46.2 Å²	46.2	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-46.5	171.7	174	173.6	-167.9	0	0	111.5	L652 H687 F688 T689 E691 P692 L693 S698 I699	L652-E695 HydrophobicContact CD1-CG 4.46Å; H687-E695 IonicContact CD2-OE2 2.69Å; F688-E695 PolarHBondContact N-OE1 2.96Å; F688-E695 PolarHBondContact N-OE2 3.49Å; F688-E695 VanDerWaalsContact N-OE2 3.12Å; T689-E695 VanDerWaalsContact CB-OE2 3.25Å; T689-E695 WeakPolarHBondContact CB-OE2 3.37Å; T689-E695 HydrophobicContact CG2-CB 4.08Å; T689-E695 HydrophobicContact CG2-CG 4.12Å; T689-E695 VanDerWaalsContact CG2-OE2 3.3Å; T689-E695 WeakPolarHBondContact CG2-OE2 3.27Å; T689-E695 PolarHBondContact N-OE2 3.17Å; T689-E695 WeakPolarHBondContact OG1-CB 3.38Å; T689-E695 PolarHBondContact OG1-OE2 2.98Å; E691-E695 PolarHBondContact O-N 2.91Å; E691-E695 VanDerWaalsContact O-N 3.13Å; P692-E695 WeakPolarHBondContact O-CB 3.34Å; P692-E695 PolarHBondContact O-N 3.44Å; P692-E695 VanDerWaalsContact O-N 3.09Å; L693-E695 VanDerWaalsContact C-N 3.26Å; L693-E695 PolarHBondContact O-N 3.38Å; E695-S698 PolarHBondContact O-N 3.44Å; E695-I699 HydrophobicContact CG-CD1 3.99Å; E695-I699 WeakPolarHBondContact O-CG1 3.46Å; E695-I699 PolarHBondContact O-N 3.27Å
696	E	98	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-52.3	170.3	-89.8	-74.9	-162.2	0	0	112.1	P651 L652 Y661 L678 T680 H687 P692 L693 S698 I699 A700	P651-E696 VanDerWaalsContact CD-OE1 3.28Å; P651-E696 WeakPolarHBondContact CD-OE1 3.4Å; P651-E696 VanDerWaalsContact N-OE1 3.08Å; L652-E696 WeakPolarHBondContact CB-OE1 3.02Å; L652-E696 HydrophobicContact CD1-CG 3.9Å; L652-E696 HydrophobicContact CG-CG 4.27Å; L652-E696 WeakPolarHBondContact CG-OE1 2.94Å; L652-E696 PolarHBondContact N-OE1 3.21Å; Y661-E696 PolarHBondContact OH-OE2 3.16Å; L678-E696 HydrophobicContact CD2-CB 4.5Å; T680-E696 HydrophobicContact CG2-CG 4.49Å; H687-E696 WeakPolarHBondContact NE2-CG 3.21Å; P692-E696 PolarHBondContact O-N 3.47Å; P692-E696 VanDerWaalsContact O-N 3.12Å; L693-E696 PolarHBondContact O-N 2.95Å; E696-S698 VanDerWaalsContact C-N 3.3Å; E696-S698 PolarHBondContact O-N 3.19Å; E696-I699 PolarHBondContact O-N 3.25Å; E696-A700 VanDerWaalsContact O-CB 3.22Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.18Å
697	Y	98.3	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-42.6	175.9	-88.5	-85.3	0	0	0	111.9	F326 L678 L693 A701 M711 L714 A715	F326-Y697 AromaticContact CE2-CD1 3.58Å; F326-Y697 HydrophobicContact CE2-CD1 3.58Å; F326-Y697 AromaticContact CE2-CE1 3.78Å; F326-Y697 HydrophobicContact CE2-CE1 3.78Å; F326-Y697 HydrophobicContact CE2-CG 4.21Å; F326-Y697 AromaticContact CZ-CD1 3.38Å; F326-Y697 HydrophobicContact CZ-CD1 3.38Å; F326-Y697 HydrophobicContact CZ-CD2 4.32Å; F326-Y697 HydrophobicContact CZ-CE1 4.01Å; F326-Y697 AromaticContact CZ-CG 3.57Å; F326-Y697 HydrophobicContact CZ-CG 3.57Å; L678-Y697 HydrophobicContact CB-CD2 4.16Å; L678-Y697 HydrophobicContact CB-CE2 3.85Å; L678-Y697 HydrophobicContact CD1-CD1 3.67Å; L678-Y697 HydrophobicContact CD1-CD2 4.12Å; L678-Y697 HydrophobicContact CD1-CE1 3.97Å; L678-Y697 HydrophobicContact CD1-CE2 4.36Å; L678-Y697 HydrophobicContact CD1-CG 3.76Å; L693-Y697 HydrophobicContact CD1-CD2 4.15Å; L693-Y697 HydrophobicContact CD1-CE2 3.89Å; L693-Y697 HydrophobicContact CD2-CE2 4.37Å; L693-Y697 HydrophobicContact CG-CD2 3.97Å; L693-Y697 HydrophobicContact CG-CE2 3.91Å; L693-Y697 VanDerWaalsContact O-CD2 3.28Å; L693-Y697 WeakPolarHBondContact O-CD2 3.33Å; L693-Y697 PolarHBondContact O-N 3.2Å; Y697-A701 WeakPolarHBondContact O-CB 3.43Å; Y697-A701 PolarHBondContact O-N 2.88Å; Y697-M711 HydrophobicContact CD1-CE 3.86Å; Y697-M711 HydrophobicContact CD1-SD 3.85Å; Y697-M711 HydrophobicContact CG-CE 4.36Å; Y697-M711 VanDerWaalsContact O-CE 3.29Å; Y697-M711 WeakPolarHBondContact O-CE 3.48Å; Y697-L714 HydrophobicContact CE1-CB 3.81Å; Y697-L714 HydrophobicContact CE1-CD1 4.46Å; Y697-L714 PolarHBondContact OH-O 2.93Å; Y697-A715 WeakPolarHBondContact OH-CA 3.29Å; Y697-A715 PolarHBondContact OH-N 3.49Å
698	S	97.4	Very high	96.1	Very high	58 Å²	58	51 Å²	51	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-42.2	-179.9	-63.3	0	0	0	0	112.7	M694 E695 E696 Q702	M694-S698 WeakPolarHBondContact O-CB 3.48Å; M694-S698 PolarHBondContact O-N 3.44Å; M694-S698 PolarHBondContact O-OG 3.11Å; E695-S698 PolarHBondContact O-N 3.44Å; E696-S698 VanDerWaalsContact C-N 3.3Å; E696-S698 PolarHBondContact O-N 3.19Å; S698-Q702 WeakPolarHBondContact O-CG 3.45Å; S698-Q702 PolarHBondContact O-N 2.84Å
699	I	97.4	Very high	96.3	Very high	56 Å²	56	44.7 Å²	44.7	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-70.9	-43.3	179.6	-65.6	171.3	0	0	0	110	L652 Y661 E695 E696 A701 Q702 V703	L652-I699 HydrophobicContact CD1-CD1 4.09Å; L652-I699 HydrophobicContact CD2-CD1 3.98Å; L652-I699 HydrophobicContact CD2-CG2 4.46Å; Y661-I699 HydrophobicContact CE1-CG2 4.07Å; Y661-I699 HydrophobicContact CE2-CG2 4.02Å; E695-I699 HydrophobicContact CG-CD1 3.99Å; E695-I699 WeakPolarHBondContact O-CG1 3.46Å; E695-I699 PolarHBondContact O-N 3.27Å; E696-I699 PolarHBondContact O-N 3.25Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 2.7Å; I699-Q702 PolarHBondContact O-N 2.82Å; I699-V703 HydrophobicContact CG2-CG2 3.88Å; I699-V703 WeakPolarHBondContact O-CB 3.39Å; I699-V703 VanDerWaalsContact O-CG2 3.32Å; I699-V703 WeakPolarHBondContact O-CG2 3.13Å; I699-V703 PolarHBondContact O-N 3.32Å
700	A	97.3	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.7	-45.9	174.1	0	0	0	0	0	111.8	Y661 L678 E696 W704 L706	Y661-A700 WeakPolarHBondContact OH-CA 3.4Å; Y661-A700 PolarHBondContact OH-N 3.12Å; L678-A700 HydrophobicContact CD1-CB 3.8Å; L678-A700 HydrophobicContact CD2-CB 4.35Å; E696-A700 VanDerWaalsContact O-CB 3.22Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.18Å; A700-W704 HydrophobicContact CB-CE3 3.62Å; A700-W704 HydrophobicContact CB-CZ3 3.6Å; A700-W704 WeakPolarHBondContact O-CB 3.5Å; A700-W704 PolarHBondContact O-N 3.07Å; A700-L706 HydrophobicContact CB-CD1 4.06Å
701	A	96.8	Very high	96.9	Very high	17 Å²	17	38.1 Å²	38.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-46	175.8	0	0	0	0	0	112.9	Y697 I699 K705 L706 M711	Y697-A701 WeakPolarHBondContact O-CB 3.43Å; Y697-A701 PolarHBondContact O-N 2.88Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 2.7Å; A701-K705 WeakPolarHBondContact O-CA 3.41Å; A701-K705 PolarHBondContact O-N 2.85Å; A701-L706 PolarHBondContact O-N 3.16Å; A701-M711 HydrophobicContact CB-CE 3.8Å; A701-M711 HydrophobicContact CB-SD 3.81Å
702	Q	96.6	Very high	97.1	Very high	135 Å²	135	34.5 Å²	34.5	63%	0.631	18%	0.184	S	C	*	.	H	α-helix	trans	-75.2	-33.4	-176.1	-67.5	-58.6	-25.2	0	0	113.5	S698 I699 K705	S698-Q702 WeakPolarHBondContact O-CG 3.45Å; S698-Q702 PolarHBondContact O-N 2.84Å; I699-Q702 PolarHBondContact O-N 2.82Å; Q702-K705 WeakPolarHBondContact O-CE 3.45Å; Q702-K705 PolarHBondContact O-NZ 2.75Å
703	V	96.4	Very high	97.2	Very high	52 Å²	52	34.2 Å²	34.2	32%	0.315	18%	0.181	S	C	.	.	H	α-helix	trans	-83.4	-44.3	-178.5	178.9	0	0	0	0	111.7	Y661 I699	Y661-V703 HydrophobicContact CD1-CB 4.28Å; Y661-V703 HydrophobicContact CD1-CG1 3.9Å; Y661-V703 HydrophobicContact CD1-CG2 4.46Å; Y661-V703 HydrophobicContact CE1-CB 4.06Å; Y661-V703 HydrophobicContact CE1-CG1 4.16Å; Y661-V703 HydrophobicContact CE1-CG2 4.31Å; I699-V703 HydrophobicContact CG2-CG2 3.88Å; I699-V703 WeakPolarHBondContact O-CB 3.39Å; I699-V703 VanDerWaalsContact O-CG2 3.32Å; I699-V703 WeakPolarHBondContact O-CG2 3.13Å; I699-V703 PolarHBondContact O-N 3.32Å
704	W	97.1	Very high	97.3	Very high	40 Å²	40	33.9 Å²	33.9	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-101.3	3.9	-176.8	-54.2	-46.4	0	0	0	114.4	P651 Y661 N664 L666 P667 A700 L706	P651-W704 HydrophobicContact CB-CH2 3.75Å; P651-W704 HydrophobicContact CB-CZ2 4.49Å; P651-W704 HydrophobicContact CG-CH2 3.6Å; P651-W704 HydrophobicContact CG-CZ3 4.15Å; Y661-W704 AromaticContact CD1-CE2 3.77Å; Y661-W704 HydrophobicContact CD1-CH2 4.23Å; Y661-W704 AromaticContact CD1-CZ2 3.5Å; Y661-W704 HydrophobicContact CD1-CZ2 3.5Å; Y661-W704 VanDerWaalsContact CD1-CZ2 3.5Å; Y661-W704 AromaticContact CD1-NE1 3.98Å; Y661-W704 HydrophobicContact CE1-CD2 4.06Å; Y661-W704 AromaticContact CE1-CE2 3.5Å; Y661-W704 VanDerWaalsContact CE1-CE2 3.5Å; Y661-W704 HydrophobicContact CE1-CE3 4.3Å; Y661-W704 AromaticContact CE1-CH2 3.56Å; Y661-W704 HydrophobicContact CE1-CH2 3.56Å; Y661-W704 AromaticContact CE1-CZ2 3.22Å; Y661-W704 HydrophobicContact CE1-CZ2 3.22Å; Y661-W704 HydrophobicContact CE1-CZ3 4.07Å; Y661-W704 HydrophobicContact CG-CZ2 4.37Å; Y661-W704 AromaticContact CZ-CH2 3.78Å; Y661-W704 AromaticContact CZ-CZ2 3.91Å; N664-W704 HydrophobicContact CB-CH2 4.38Å; N664-W704 HydrophobicContact CB-CZ2 3.95Å; L666-W704 HydrophobicContact CB-CH2 4.05Å; L666-W704 HydrophobicContact CB-CZ3 4.17Å; L666-W704 HydrophobicContact CD1-CH2 4.26Å; L666-W704 HydrophobicContact CD1-CZ3 4.02Å; L666-W704 HydrophobicContact CD2-CE3 4.31Å; L666-W704 HydrophobicContact CD2-CZ3 3.82Å; L666-W704 HydrophobicContact CG-CZ3 4.23Å; P667-W704 HydrophobicContact CB-CB 4.49Å; P667-W704 HydrophobicContact CB-CG 4.44Å; P667-W704 HydrophobicContact CG-CB 3.87Å; P667-W704 HydrophobicContact CG-CD2 3.3Å; P667-W704 HydrophobicContact CG-CE3 3.72Å; P667-W704 HydrophobicContact CG-CG 3.38Å; P667-W704 HydrophobicContact CG-CZ2 4.25Å; P667-W704 HydrophobicContact CG-CZ3 4.33Å; A700-W704 HydrophobicContact CB-CE3 3.62Å; A700-W704 HydrophobicContact CB-CZ3 3.6Å; A700-W704 WeakPolarHBondContact O-CB 3.5Å; A700-W704 PolarHBondContact O-N 3.07Å; W704-L706 VanDerWaalsContact C-N 3.28Å; W704-L706 HydrophobicContact CB-CD2 4.11Å; W704-L706 HydrophobicContact CB-CG 4.24Å; W704-L706 HydrophobicContact CE3-CD1 4.4Å; W704-L706 PolarHBondContact O-N 3.09Å
705	K	95.7	Very high	97.3	Very high	157 Å²	157	33 Å²	33	68%	0.683	18%	0.175	S	C	*	.			trans	59.2	35.1	177.4	-49	-53	-178.7	-168.9	0	113.7	A701 Q702 S707	A701-K705 WeakPolarHBondContact O-CA 3.41Å; A701-K705 PolarHBondContact O-N 2.85Å; Q702-K705 WeakPolarHBondContact O-CE 3.45Å; Q702-K705 PolarHBondContact O-NZ 2.75Å; K705-S707 PolarHBondContact O-N 3.2Å
706	L	96.4	Very high	97.4	Very high	23 Å²	23	33.7 Å²	33.7	12%	0.12	18%	0.177	C	C	.	.			trans	-62.8	129.6	177.3	-53.1	-175.5	0	0	0	110.8	L670 A700 A701 W704 D710 M711 L714	L670-L706 HydrophobicContact CD2-CD2 4.37Å; A700-L706 HydrophobicContact CB-CD1 4.06Å; A701-L706 PolarHBondContact O-N 3.16Å; W704-L706 VanDerWaalsContact C-N 3.28Å; W704-L706 HydrophobicContact CB-CD2 4.11Å; W704-L706 HydrophobicContact CB-CG 4.24Å; W704-L706 HydrophobicContact CE3-CD1 4.4Å; W704-L706 PolarHBondContact O-N 3.09Å; L706-D710 HydrophobicContact CB-CB 4.07Å; L706-M711 HydrophobicContact CB-CG 4.18Å; L706-M711 HydrophobicContact CB-SD 4.24Å; L706-M711 HydrophobicContact CD1-SD 4.34Å; L706-L714 HydrophobicContact CD1-CD1 3.9Å
707	S	96.2	Very high	97.4	Very high	37 Å²	37	33.9 Å²	33.9	26%	0.259	18%	0.178	S	C	.	.			trans	-73.9	165.6	177.5	72.3	0	0	0	0	112.1	K705 C709 D710 M711	K705-S707 PolarHBondContact O-N 3.2Å; S707-C709 PolarHBondContact O-N 3.21Å; S707-C709 VanDerWaalsContact O-N 3.12Å; S707-C709 PolarHBondContact OG-N 3.34Å; S707-D710 VanDerWaalsContact CB-OD2 3.3Å; S707-D710 WeakPolarHBondContact CB-OD2 3.48Å; S707-D710 PolarHBondContact N-OD2 2.68Å; S707-D710 PolarHBondContact O-N 3.28Å; S707-D710 VanDerWaalsContact O-N 3.12Å; S707-D710 PolarHBondContact OG-N 2.97Å; S707-D710 PolarHBondContact OG-OD1 2.98Å; S707-D710 PolarHBondContact OG-OD2 2.92Å; S707-M711 WeakPolarHBondContact O-CB 3.43Å; S707-M711 WeakPolarHBondContact O-CG 3.23Å; S707-M711 PolarHBondContact O-N 3.5Å
708	S	95.4	Very high	97.4	Very high	50 Å²	50	33.9 Å²	33.9	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-18.7	172.4	-169.5	0	0	0	0	113	Q318 C712	Q318-S708 PolarHBondContact NE2-O 3.46Å; S708-C712 WeakPolarHBondContact O-CB 3.19Å; S708-C712 PolarHBondContact O-N 3.17Å; S708-C712 PolarHBondContact O-SG 3.41Å
709	C	97.2	Very high	97.4	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-73.7	-51.1	171.7	-177	0	0	0	0	110.6	S707 M711 C712 E713 P753 R756	S707-C709 PolarHBondContact O-N 3.21Å; S707-C709 VanDerWaalsContact O-N 3.12Å; S707-C709 PolarHBondContact OG-N 3.34Å; C709-M711 VanDerWaalsContact C-N 3.29Å; C709-M711 PolarHBondContact O-N 2.83Å; C709-C712 CarbonylContact O-C 3.5Å; C709-C712 PolarHBondContact O-N 3.3Å; C709-C712 VanDerWaalsContact O-N 3.08Å; C709-E713 PolarHBondContact O-N 2.79Å; C709-P753 WeakPolarHBondContact SG-CD 3.42Å; C709-R756 PolarHBondContact SG-NH2 3.32Å; C709-R756 VanDerWaalsContact SG-NH2 3.43Å
710	D	98.3	Very high	97.3	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-41.7	179.8	-50.1	-32.8	0	0	0	111.5	Y303 L670 L706 S707 C712 E713 L714 R756	Y303-D710 PolarHBondContact OH-OD1 2.93Å; L670-D710 HydrophobicContact CD2-CB 4.16Å; L706-D710 HydrophobicContact CB-CB 4.07Å; S707-D710 VanDerWaalsContact CB-OD2 3.3Å; S707-D710 WeakPolarHBondContact CB-OD2 3.48Å; S707-D710 PolarHBondContact N-OD2 2.68Å; S707-D710 PolarHBondContact O-N 3.28Å; S707-D710 VanDerWaalsContact O-N 3.12Å; S707-D710 PolarHBondContact OG-N 2.97Å; S707-D710 PolarHBondContact OG-OD1 2.98Å; S707-D710 PolarHBondContact OG-OD2 2.92Å; D710-C712 VanDerWaalsContact C-N 3.32Å; D710-C712 PolarHBondContact O-N 3.4Å; D710-E713 WeakPolarHBondContact O-CB 3.36Å; D710-E713 PolarHBondContact O-N 2.81Å; D710-L714 WeakPolarHBondContact O-CG 3.3Å; D710-L714 PolarHBondContact O-N 3.4Å; D710-R756 IonicContact OD1-CZ 2.66Å; D710-R756 VanDerWaalsContact OD1-CZ 3.27Å; D710-R756 IonicContact OD1-NH1 2.73Å; D710-R756 PolarHBondContact OD1-NH1 3.17Å; D710-R756 IonicContact OD1-NH2 3.22Å; D710-R756 PolarHBondContact OD1-NH2 3.03Å
711	M	98.1	Very high	97.2	Very high	14 Å²	14	32 Å²	32	7%	0.069	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-33.9	177.3	-66.7	-78.3	-77.8	0	0	112.7	F326 Y697 A701 L706 S707 C709 A715	F326-M711 HydrophobicContact CD1-CE 4.19Å; F326-M711 HydrophobicContact CD2-CB 3.77Å; F326-M711 HydrophobicContact CE1-CE 3.72Å; F326-M711 HydrophobicContact CE2-CB 3.98Å; F326-M711 HydrophobicContact CE2-CE 4.12Å; F326-M711 WeakPolarHBondContact CE2-O 3.29Å; F326-M711 HydrophobicContact CG-CB 4.3Å; F326-M711 HydrophobicContact CZ-CE 3.69Å; Y697-M711 HydrophobicContact CD1-CE 3.86Å; Y697-M711 HydrophobicContact CD1-SD 3.85Å; Y697-M711 HydrophobicContact CG-CE 4.36Å; Y697-M711 VanDerWaalsContact O-CE 3.29Å; Y697-M711 WeakPolarHBondContact O-CE 3.48Å; A701-M711 HydrophobicContact CB-CE 3.8Å; A701-M711 HydrophobicContact CB-SD 3.81Å; L706-M711 HydrophobicContact CB-CG 4.18Å; L706-M711 HydrophobicContact CB-SD 4.24Å; L706-M711 HydrophobicContact CD1-SD 4.34Å; S707-M711 WeakPolarHBondContact O-CB 3.43Å; S707-M711 WeakPolarHBondContact O-CG 3.23Å; S707-M711 PolarHBondContact O-N 3.5Å; C709-M711 VanDerWaalsContact C-N 3.29Å; C709-M711 PolarHBondContact O-N 2.83Å; M711-A715 WeakPolarHBondContact O-CB 3.34Å; M711-A715 PolarHBondContact O-N 2.97Å
712	C	98.3	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-80.9	-28.9	174.3	-64.4	0	0	0	0	112.1	S708 C709 D710 A715 R716 N751 V752	S708-C712 WeakPolarHBondContact O-CB 3.19Å; S708-C712 PolarHBondContact O-N 3.17Å; S708-C712 PolarHBondContact O-SG 3.41Å; C709-C712 CarbonylContact O-C 3.5Å; C709-C712 PolarHBondContact O-N 3.3Å; C709-C712 VanDerWaalsContact O-N 3.08Å; D710-C712 VanDerWaalsContact C-N 3.32Å; D710-C712 PolarHBondContact O-N 3.4Å; C712-A715 PolarHBondContact O-N 3.41Å; C712-R716 WeakPolarHBondContact O-CB 2.83Å; C712-R716 PolarHBondContact O-N 3.46Å; C712-N751 HydrophobicContact CB-CB 4.15Å; C712-V752 VanDerWaalsContact C-CG2 3.49Å; C712-V752 HydrophobicContact CB-CG2 4.02Å; C712-V752 WeakPolarHBondContact O-CG2 3.3Å
713	E	98.6	Very high	97.2	Very high	15 Å²	15	26.2 Å²	26.2	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-48	172.4	-178	167.6	-141.4	0	0	111	L670 C709 D710 A715 R716 N717 V752 R756 R760	L670-E713 HydrophobicContact CD1-CG 4.39Å; C709-E713 PolarHBondContact O-N 2.79Å; D710-E713 WeakPolarHBondContact O-CB 3.36Å; D710-E713 PolarHBondContact O-N 2.81Å; E713-A715 VanDerWaalsContact C-N 3.32Å; E713-A715 PolarHBondContact O-N 3.27Å; E713-R716 PolarHBondContact O-N 3.16Å; E713-N717 WeakPolarHBondContact O-CB 3.27Å; E713-N717 PolarHBondContact O-N 3.27Å; E713-N717 PolarHBondContact O-OD1 3.14Å; E713-V752 HydrophobicContact CB-CG2 4.48Å; E713-R756 IonicContact OE2-CZ 2.82Å; E713-R756 IonicContact OE2-NH1 2.78Å; E713-R756 PolarHBondContact OE2-NH1 3.04Å; E713-R760 WeakPolarHBondContact OE1-CG 3.27Å; E713-R760 IonicContact OE1-CZ 2.68Å; E713-R760 IonicContact OE1-NE 3.5Å; E713-R760 PolarHBondContact OE1-NE 3.23Å; E713-R760 IonicContact OE1-NH2 3.52Å; E713-R760 PolarHBondContact OE1-NH2 2.91Å; E713-R760 IonicContact OE2-CZ 3.81Å; E713-R760 IonicContact OE2-NE 3.53Å; E713-R760 IonicContact OE2-NH2 3.3Å; E713-R760 PolarHBondContact OE2-NH2 3.37Å
714	L	98.7	Very high	97.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-42	171.6	-71.1	170.6	0	0	0	112.2	L670 I676 L678 Y697 L706 D710 N717 S718	L670-L714 HydrophobicContact CD1-CD2 4.08Å; L670-L714 HydrophobicContact CD1-CG 4.37Å; L670-L714 HydrophobicContact CD2-CD1 4.09Å; L670-L714 HydrophobicContact CD2-CD2 4.17Å; L670-L714 HydrophobicContact CD2-CG 4.03Å; I676-L714 HydrophobicContact CD1-CD2 4.35Å; I676-L714 HydrophobicContact CG1-CD2 3.64Å; I676-L714 WeakPolarHBondContact O-CD2 3.41Å; L678-L714 HydrophobicContact CD1-CD1 4.01Å; L678-L714 HydrophobicContact CG-CD1 4.4Å; Y697-L714 HydrophobicContact CE1-CB 3.81Å; Y697-L714 HydrophobicContact CE1-CD1 4.46Å; Y697-L714 PolarHBondContact OH-O 2.93Å; L706-L714 HydrophobicContact CD1-CD1 3.9Å; D710-L714 WeakPolarHBondContact O-CG 3.3Å; D710-L714 PolarHBondContact O-N 3.4Å; L714-N717 PolarHBondContact O-N 3.17Å; L714-S718 PolarHBondContact O-N 3.12Å
715	A	98.4	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-46.8	176	0	0	0	0	0	112.1	K331 Y697 M711 C712 E713 N717 S718 V719	K331-A715 HydrophobicContact CB-CB 4.02Å; Y697-A715 WeakPolarHBondContact OH-CA 3.29Å; Y697-A715 PolarHBondContact OH-N 3.49Å; M711-A715 WeakPolarHBondContact O-CB 3.34Å; M711-A715 PolarHBondContact O-N 2.97Å; C712-A715 PolarHBondContact O-N 3.41Å; E713-A715 VanDerWaalsContact C-N 3.32Å; E713-A715 PolarHBondContact O-N 3.27Å; A715-N717 VanDerWaalsContact C-N 3.34Å; A715-N717 PolarHBondContact O-N 3.34Å; A715-S718 PolarHBondContact O-N 3.36Å; A715-S718 PolarHBondContact O-OG 2.84Å; A715-V719 PolarHBondContact O-N 3.37Å
716	R	98.1	Very high	96.6	Very high	35 Å²	35	18.9 Å²	18.9	13%	0.132	11%	0.112	C	C	.	.	H	α-helix	trans	-56.3	-47.4	173.9	179.9	179.9	-176.6	-80.9	-2.3	111	C712 E713 S718 V719 M720 L733 G744 N745 T750 V752	C712-R716 WeakPolarHBondContact O-CB 2.83Å; C712-R716 PolarHBondContact O-N 3.46Å; E713-R716 PolarHBondContact O-N 3.16Å; R716-S718 VanDerWaalsContact C-N 3.35Å; R716-S718 PolarHBondContact O-N 2.87Å; R716-V719 PolarHBondContact O-N 3.48Å; R716-M720 HydrophobicContact CG-CG 4.41Å; R716-M720 WeakPolarHBondContact O-CG 3.5Å; R716-M720 PolarHBondContact O-N 3.39Å; R716-L733 HydrophobicContact CG-CD2 4.13Å; R716-G744 PolarHBondContact NH2-O 3.07Å; R716-N745 PolarHBondContact NE-OD1 3.39Å; R716-T750 HydrophobicContact CG-CG2 4.28Å; R716-V752 HydrophobicContact CB-CG2 4.01Å
717	N	98.4	Very high	96.3	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-40.8	179.8	-68.9	-7.3	0	0	0	112.2	I675 I676 E713 L714 A715 V719 M720 M721	I675-N717 HydrophobicContact CG2-CB 4.22Å; I676-N717 VanDerWaalsContact O-CB 3.23Å; I676-N717 WeakPolarHBondContact O-CB 3.03Å; I676-N717 PolarHBondContact O-ND2 3.4Å; E713-N717 WeakPolarHBondContact O-CB 3.27Å; E713-N717 PolarHBondContact O-N 3.27Å; E713-N717 PolarHBondContact O-OD1 3.14Å; L714-N717 PolarHBondContact O-N 3.17Å; A715-N717 VanDerWaalsContact C-N 3.34Å; A715-N717 PolarHBondContact O-N 3.34Å; N717-V719 VanDerWaalsContact C-N 3.31Å; N717-V719 PolarHBondContact O-N 2.96Å; N717-M720 PolarHBondContact O-N 3.4Å; N717-M721 HydrophobicContact CB-CE 4.37Å; N717-M721 PolarHBondContact O-N 3.26Å
718	S	98.7	Very high	96.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-40.8	175.9	76.3	0	0	0	0	112.5	V332 T334 L714 A715 R716 S722	V332-S718 PolarHBondContact N-OG 2.84Å; V332-S718 VanDerWaalsContact O-CB 3.3Å; V332-S718 WeakPolarHBondContact O-CB 3.4Å; T334-S718 WeakPolarHBondContact CG2-O 3.25Å; L714-S718 PolarHBondContact O-N 3.12Å; A715-S718 PolarHBondContact O-N 3.36Å; A715-S718 PolarHBondContact O-OG 2.84Å; R716-S718 VanDerWaalsContact C-N 3.35Å; R716-S718 PolarHBondContact O-N 2.87Å; S718-S722 WeakPolarHBondContact O-CB 3.5Å; S718-S722 PolarHBondContact O-N 3.35Å
719	V	98.3	Very high	96.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.1	-42.7	175	178.4	0	0	0	0	111.1	R330 V332 A715 R716 N717 M721 S722 K729 W732 L733	R330-V719 HydrophobicContact CB-CG2 4.03Å; R330-V719 WeakPolarHBondContact O-CG2 3.3Å; V332-V719 HydrophobicContact CG2-CB 4.45Å; V332-V719 HydrophobicContact CG2-CG2 3.9Å; A715-V719 PolarHBondContact O-N 3.37Å; R716-V719 PolarHBondContact O-N 3.48Å; N717-V719 VanDerWaalsContact C-N 3.31Å; N717-V719 PolarHBondContact O-N 2.96Å; V719-M721 PolarHBondContact O-N 2.63Å; V719-S722 PolarHBondContact O-N 2.94Å; V719-S722 PolarHBondContact O-OG 3.03Å; V719-K729 HydrophobicContact CG1-CG 4.27Å; V719-K729 VanDerWaalsContact O-CE 3.24Å; V719-K729 WeakPolarHBondContact O-CE 3.43Å; V719-W732 HydrophobicContact CG1-CB 4.26Å; V719-W732 HydrophobicContact CG1-CE3 3.79Å; V719-W732 HydrophobicContact CG2-CE3 4.15Å; V719-L733 HydrophobicContact CB-CD1 4.11Å; V719-L733 HydrophobicContact CB-CD2 4Å; V719-L733 HydrophobicContact CB-CG 4.21Å; V719-L733 HydrophobicContact CG1-CD1 3.66Å; V719-L733 HydrophobicContact CG1-CD2 3.96Å; V719-L733 HydrophobicContact CG1-CG 3.66Å; V719-L733 HydrophobicContact CG2-CD2 4.47Å
720	M	95.5	Very high	95.9	Very high	61 Å²	61	21.1 Å²	21.1	30%	0.3	12%	0.119	S	C	.	.	H	α-helix	trans	-55.8	-50.3	178.8	-74.4	-65.4	-70.3	0	0	111.8	R716 N717 K729 L733 Y737	R716-M720 HydrophobicContact CG-CG 4.41Å; R716-M720 WeakPolarHBondContact O-CG 3.5Å; R716-M720 PolarHBondContact O-N 3.39Å; N717-M720 PolarHBondContact O-N 3.4Å; M720-K729 PolarHBondContact O-NZ 3.31Å; M720-L733 HydrophobicContact CG-CD1 3.88Å; M720-L733 HydrophobicContact SD-CD1 3.43Å; M720-L733 WeakPolarHBondContact SD-CD1 3.3Å; M720-Y737 HydrophobicContact CE-CD2 4.45Å; M720-Y737 HydrophobicContact SD-CD2 3.73Å; M720-Y737 HydrophobicContact SD-CE2 4.28Å
721	M	95.1	Very high	95.6	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.064	14%	0.136	C	C	.	.	H	α-helix	trans	-81.5	-11.7	-175.8	78.4	175.9	77.3	0	0	114.8	T334 N623 I675 S677 N717 V719	T334-M721 HydrophobicContact CG2-CG 3.85Å; T334-M721 HydrophobicContact CG2-SD 4.21Å; N623-M721 PolarHBondContact ND2-O 3.42Å; I675-M721 HydrophobicContact CG2-CE 4.06Å; S677-M721 VanDerWaalsContact OG-CE 3.3Å; S677-M721 WeakPolarHBondContact OG-CE 3.26Å; S677-M721 PolarHBondContact OG-SD 3.18Å; N717-M721 HydrophobicContact CB-CE 4.37Å; N717-M721 PolarHBondContact O-N 3.26Å; V719-M721 PolarHBondContact O-N 2.63Å
722	S	96.9	Very high	95.5	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.028	14%	0.137	C	C	.	.	S	Bend	trans	-67.5	157.8	179.2	71.9	0	0	0	0	113.4	E455 S718 V719 F724 K729	E455-S722 WeakPolarHBondContact OE1-CA 3.43Å; E455-S722 WeakPolarHBondContact OE1-CB 3.39Å; S718-S722 WeakPolarHBondContact O-CB 3.5Å; S718-S722 PolarHBondContact O-N 3.35Å; V719-S722 PolarHBondContact O-N 2.94Å; V719-S722 PolarHBondContact O-OG 3.03Å; S722-F724 VanDerWaalsContact C-N 3.26Å; S722-F724 PolarHBondContact O-N 2.76Å; S722-K729 WeakPolarHBondContact O-CE 3.22Å; S722-K729 PolarHBondContact O-NZ 2.95Å
723	G	95.1	Very high	95.3	Very high	26 Å²	26	25.4 Å²	25.4	27%	0.268	14%	0.137	S	C	.	.			trans	-84.2	16.3	172.3	0	0	0	0	0	114.6	E455 I539	E455-G723 PolarHBondContact OE1-N 2.97Å; I539-G723 WeakPolarHBondContact CG2-O 3.39Å
724	F	95.8	Very high	94.9	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.018	14%	0.135	C	C	.	.			trans	-64.8	137.3	175.4	-81.2	-94.7	0	0	0	111	V332 N453 E455 R486 S722 I728 K729 W732	V332-F724 HydrophobicContact CG1-CD2 4.33Å; V332-F724 HydrophobicContact CG1-CE2 3.87Å; V332-F724 HydrophobicContact CG2-CD2 4.4Å; V332-F724 HydrophobicContact CG2-CE2 4.44Å; N453-F724 HydrophobicContact CB-CE2 4.25Å; N453-F724 HydrophobicContact CB-CZ 3.91Å; E455-F724 HydrophobicContact CG-CE2 4.36Å; R486-F724 HydrophobicContact CB-CE2 4.49Å; R486-F724 HydrophobicContact CB-CZ 4.47Å; R486-F724 HydrophobicContact CG-CD1 4.17Å; R486-F724 HydrophobicContact CG-CD2 4.36Å; R486-F724 HydrophobicContact CG-CE1 3.93Å; R486-F724 HydrophobicContact CG-CE2 4.12Å; R486-F724 HydrophobicContact CG-CG 4.38Å; R486-F724 HydrophobicContact CG-CZ 3.89Å; S722-F724 VanDerWaalsContact C-N 3.26Å; S722-F724 PolarHBondContact O-N 2.76Å; F724-I728 HydrophobicContact CB-CG2 4.49Å; F724-I728 HydrophobicContact CD1-CG2 4.32Å; F724-K729 VanDerWaalsContact O-CE 3.24Å; F724-K729 WeakPolarHBondContact O-CE 3.22Å; F724-W732 HydrophobicContact CB-CZ3 4.26Å; F724-W732 AromaticContact CD1-CH2 3.58Å; F724-W732 HydrophobicContact CD1-CH2 3.58Å; F724-W732 HydrophobicContact CD1-CZ2 4.49Å; F724-W732 HydrophobicContact CD1-CZ3 4Å; F724-W732 HydrophobicContact CD2-CH2 4.41Å; F724-W732 HydrophobicContact CD2-CZ3 4.17Å; F724-W732 AromaticContact CE1-CH2 3.76Å; F724-W732 HydrophobicContact CE1-CH2 3.76Å; F724-W732 HydrophobicContact CE1-CZ3 4.44Å; F724-W732 AromaticContact CG-CH2 3.94Å; F724-W732 HydrophobicContact CG-CH2 3.94Å; F724-W732 AromaticContact CG-CZ3 3.86Å; F724-W732 HydrophobicContact CG-CZ3 3.86Å; F724-W732 HydrophobicContact CZ-CH2 4.27Å
725	P	92.4	Very high	94.4	Very high	62 Å²	62	26.6 Å²	26.6	40%	0.403	15%	0.146	S	C	.	.			trans	-51.5	145.7	-178.5	-30.9	34.5	0	0	0	114.6	A727 I728 K729	P725-A727 VanDerWaalsContact C-N 3.32Å; P725-A727 PolarHBondContact O-N 3.39Å; P725-I728 HydrophobicContact CG-CD1 4.43Å; P725-I728 WeakPolarHBondContact O-CA 3.47Å; P725-I728 WeakPolarHBondContact O-CB 3.4Å; P725-I728 PolarHBondContact O-N 3.46Å; P725-K729 PolarHBondContact O-N 3.36Å
726	H	89.4	Confident	94	Very high	30 Å²	30	28.6 Å²	28.6	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-46.6	-49	-179.4	175.8	78.4	0	0	0	113.5	V218 I728 K729 Q730 Y737 Y738	V218-H726 HydrophobicContact CG1-CB 4.2Å; H726-I728 PolarHBondContact O-N 3.21Å; H726-K729 CarbonylContact O-C 3.36Å; H726-K729 PolarHBondContact O-N 3.45Å; H726-Q730 VanDerWaalsContact NE2-CD 3.31Å; H726-Q730 PolarHBondContact NE2-NE2 3.02Å; H726-Q730 WeakPolarHBondContact O-CG 3.45Å; H726-Q730 PolarHBondContact O-N 2.85Å; H726-Y737 AromaticContact CE1-CE1 3.76Å; H726-Y737 AromaticContact ND1-CE1 3.51Å; H726-Y737 AromaticContact ND1-CZ 3.64Å; H726-Y737 PolarHBondContact ND1-OH 2.89Å; H726-Y738 AromaticContact CE1-CD1 3.68Å
727	A	89.6	Confident	93.6	Very high	39 Å²	39	28 Å²	28	32%	0.322	16%	0.155	S	C	.	.	H	α-helix	trans	-61.6	-26.3	179.2	0	0	0	0	0	114	P725 Q731	P725-A727 VanDerWaalsContact C-N 3.32Å; P725-A727 PolarHBondContact O-N 3.39Å; A727-Q731 WeakPolarHBondContact O-CG 3.36Å; A727-Q731 PolarHBondContact O-N 3.02Å; A727-Q731 PolarHBondContact O-NE2 3.08Å
728	I	92.1	Very high	93.1	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.205	17%	0.168	C	C	.	.	H	α-helix	trans	-79	-44.1	173.1	-62.8	-175.8	0	0	0	109.9	F724 P725 H726 Q730 Q731 W732	F724-I728 HydrophobicContact CB-CG2 4.49Å; F724-I728 HydrophobicContact CD1-CG2 4.32Å; P725-I728 HydrophobicContact CG-CD1 4.43Å; P725-I728 WeakPolarHBondContact O-CA 3.47Å; P725-I728 WeakPolarHBondContact O-CB 3.4Å; P725-I728 PolarHBondContact O-N 3.46Å; H726-I728 PolarHBondContact O-N 3.21Å; I728-Q730 VanDerWaalsContact C-N 3.31Å; I728-Q730 PolarHBondContact O-N 3.29Å; I728-Q731 WeakPolarHBondContact O-CB 3.34Å; I728-Q731 PolarHBondContact O-N 3.24Å; I728-Q731 VanDerWaalsContact O-N 3.09Å; I728-W732 HydrophobicContact CG2-CD2 3.69Å; I728-W732 HydrophobicContact CG2-CE3 4.06Å; I728-W732 HydrophobicContact CG2-CG 4.34Å; I728-W732 HydrophobicContact CG2-CH2 3.72Å; I728-W732 HydrophobicContact CG2-CZ2 3.32Å; I728-W732 HydrophobicContact CG2-CZ3 4.06Å; I728-W732 PolarHBondContact O-N 3.37Å
729	K	95.1	Very high	92.6	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.113	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-40	173.2	-68.2	-173.3	-179.5	-176.4	0	112.2	V719 M720 S722 F724 P725 H726 Q731 W732 L733 Y737	V719-K729 HydrophobicContact CG1-CG 4.27Å; V719-K729 VanDerWaalsContact O-CE 3.24Å; V719-K729 WeakPolarHBondContact O-CE 3.43Å; M720-K729 PolarHBondContact O-NZ 3.31Å; S722-K729 WeakPolarHBondContact O-CE 3.22Å; S722-K729 PolarHBondContact O-NZ 2.95Å; F724-K729 VanDerWaalsContact O-CE 3.24Å; F724-K729 WeakPolarHBondContact O-CE 3.22Å; P725-K729 PolarHBondContact O-N 3.36Å; H726-K729 CarbonylContact O-C 3.36Å; H726-K729 PolarHBondContact O-N 3.45Å; K729-Q731 VanDerWaalsContact C-N 3.31Å; K729-Q731 PolarHBondContact O-N 2.88Å; K729-W732 PolarHBondContact O-N 3.49Å; K729-W732 VanDerWaalsContact O-N 3.1Å; K729-L733 WeakPolarHBondContact O-CB 3.16Å; K729-L733 PolarHBondContact O-N 3.2Å; K729-Y737 HydrophobicContact CB-CD1 4.16Å; K729-Y737 HydrophobicContact CB-CD2 4.38Å; K729-Y737 HydrophobicContact CB-CE1 3.59Å; K729-Y737 HydrophobicContact CB-CE2 3.88Å; K729-Y737 VanDerWaalsContact CB-CZ 3.46Å; K729-Y737 HydrophobicContact CD-CE2 3.85Å
730	Q	92.6	Very high	92	Very high	54 Å²	54	38.2 Å²	38.2	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-58.3	-41.5	173.3	-72.1	-176.3	-59.2	0	0	112.5	H726 I728 W732 G734 P735 Y737	H726-Q730 VanDerWaalsContact NE2-CD 3.31Å; H726-Q730 PolarHBondContact NE2-NE2 3.02Å; H726-Q730 WeakPolarHBondContact O-CG 3.45Å; H726-Q730 PolarHBondContact O-N 2.85Å; I728-Q730 VanDerWaalsContact C-N 3.31Å; I728-Q730 PolarHBondContact O-N 3.29Å; Q730-W732 VanDerWaalsContact C-N 3.32Å; Q730-G734 WeakPolarHBondContact CA-O 3.48Å; Q730-G734 CarbonylContact O-C 3.56Å; Q730-G734 VanDerWaalsContact O-C 3.23Å; Q730-G734 WeakPolarHBondContact O-CA 3.46Å; Q730-G734 PolarHBondContact O-N 3.04Å; Q730-G734 VanDerWaalsContact O-N 3.12Å; Q730-P735 PolarHBondContact NE2-O 3.29Å; Q730-Y737 HydrophobicContact CB-CD1 4.41Å; Q730-Y737 HydrophobicContact CG-CD1 3.85Å; Q730-Y737 HydrophobicContact CG-CE1 3.73Å
731	Q	92.9	Very high	91.7	Very high	94 Å²	94	35.7 Å²	35.7	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-68.3	-32.6	176.4	-69.4	172	34.7	0	0	112.2	A727 I728 K729 R749	A727-Q731 WeakPolarHBondContact O-CG 3.36Å; A727-Q731 PolarHBondContact O-N 3.02Å; A727-Q731 PolarHBondContact O-NE2 3.08Å; I728-Q731 WeakPolarHBondContact O-CB 3.34Å; I728-Q731 PolarHBondContact O-N 3.24Å; I728-Q731 VanDerWaalsContact O-N 3.09Å; K729-Q731 VanDerWaalsContact C-N 3.31Å; K729-Q731 PolarHBondContact O-N 2.88Å; Q731-R749 PolarHBondContact O-NH1 3.04Å
732	W	95.2	Very high	91.5	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-89.6	-28	-175	-66.4	-0.2	0	0	0	114.9	R330 V332 N453 V719 F724 I728 K729 Q730 R749	R330-W732 HydrophobicContact CB-CB 3.96Å; R330-W732 HydrophobicContact CB-CD2 4.18Å; R330-W732 HydrophobicContact CB-CE3 4.35Å; R330-W732 HydrophobicContact CB-CG 4.02Å; R330-W732 HydrophobicContact CG-CB 3.82Å; R330-W732 HydrophobicContact CG-CD2 3.91Å; R330-W732 HydrophobicContact CG-CG 3.55Å; V332-W732 HydrophobicContact CG2-CZ3 4.08Å; N453-W732 HydrophobicContact CB-CH2 4.02Å; N453-W732 HydrophobicContact CB-CZ3 4.46Å; N453-W732 WeakPolarHBondContact OD1-CH2 3.35Å; N453-W732 VanDerWaalsContact OD1-CZ2 3.31Å; N453-W732 WeakPolarHBondContact OD1-CZ2 3.19Å; V719-W732 HydrophobicContact CG1-CB 4.26Å; V719-W732 HydrophobicContact CG1-CE3 3.79Å; V719-W732 HydrophobicContact CG2-CE3 4.15Å; F724-W732 HydrophobicContact CB-CZ3 4.26Å; F724-W732 AromaticContact CD1-CH2 3.58Å; F724-W732 HydrophobicContact CD1-CH2 3.58Å; F724-W732 HydrophobicContact CD1-CZ2 4.49Å; F724-W732 HydrophobicContact CD1-CZ3 4Å; F724-W732 HydrophobicContact CD2-CH2 4.41Å; F724-W732 HydrophobicContact CD2-CZ3 4.17Å; F724-W732 AromaticContact CE1-CH2 3.76Å; F724-W732 HydrophobicContact CE1-CH2 3.76Å; F724-W732 HydrophobicContact CE1-CZ3 4.44Å; F724-W732 AromaticContact CG-CH2 3.94Å; F724-W732 HydrophobicContact CG-CH2 3.94Å; F724-W732 AromaticContact CG-CZ3 3.86Å; F724-W732 HydrophobicContact CG-CZ3 3.86Å; F724-W732 HydrophobicContact CZ-CH2 4.27Å; I728-W732 HydrophobicContact CG2-CD2 3.69Å; I728-W732 HydrophobicContact CG2-CE3 4.06Å; I728-W732 HydrophobicContact CG2-CG 4.34Å; I728-W732 HydrophobicContact CG2-CH2 3.72Å; I728-W732 HydrophobicContact CG2-CZ2 3.32Å; I728-W732 HydrophobicContact CG2-CZ3 4.06Å; I728-W732 PolarHBondContact O-N 3.37Å; K729-W732 PolarHBondContact O-N 3.49Å; K729-W732 VanDerWaalsContact O-N 3.1Å; Q730-W732 VanDerWaalsContact C-N 3.32Å; W732-R749 WeakPolarHBondContact O-CB 3.2Å
733	L	94	Very high	90.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-121.8	-23.2	-172.7	-62.8	-175.8	0	0	0	115	R716 V719 M720 K729 Y737 D746 T750	R716-L733 HydrophobicContact CG-CD2 4.13Å; V719-L733 HydrophobicContact CB-CD1 4.11Å; V719-L733 HydrophobicContact CB-CD2 4Å; V719-L733 HydrophobicContact CB-CG 4.21Å; V719-L733 HydrophobicContact CG1-CD1 3.66Å; V719-L733 HydrophobicContact CG1-CD2 3.96Å; V719-L733 HydrophobicContact CG1-CG 3.66Å; V719-L733 HydrophobicContact CG2-CD2 4.47Å; M720-L733 HydrophobicContact CG-CD1 3.88Å; M720-L733 HydrophobicContact SD-CD1 3.43Å; M720-L733 WeakPolarHBondContact SD-CD1 3.3Å; K729-L733 WeakPolarHBondContact O-CB 3.16Å; K729-L733 PolarHBondContact O-N 3.2Å; L733-Y737 HydrophobicContact CB-CG 4.09Å; L733-Y737 HydrophobicContact CD1-CD2 3.92Å; L733-Y737 HydrophobicContact CD1-CG 4.29Å; L733-D746 WeakPolarHBondContact O-CB 3.28Å; L733-D746 PolarHBondContact O-N 2.69Å; L733-T750 HydrophobicContact CB-CG2 4.43Å; L733-T750 HydrophobicContact CD2-CG2 3.85Å
734	G	90.9	Very high	90.6	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	20%	0.199	C	C	.	.			trans	134.8	155.2	-178.3	0	0	0	0	0	112.1	Q730 I736 Y737	Q730-G734 WeakPolarHBondContact CA-O 3.48Å; Q730-G734 CarbonylContact O-C 3.56Å; Q730-G734 VanDerWaalsContact O-C 3.23Å; Q730-G734 WeakPolarHBondContact O-CA 3.46Å; Q730-G734 PolarHBondContact O-N 3.04Å; Q730-G734 VanDerWaalsContact O-N 3.12Å; G734-I736 PolarHBondContact O-N 2.92Å; G734-Y737 WeakPolarHBondContact O-CB 3.41Å; G734-Y737 PolarHBondContact O-N 2.88Å
735	P	87.4	Confident	90.5	Very high	38 Å²	38	39 Å²	39	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.8	-174.5	24.2	-33.9	0	0	0	113.4	Q730	Q730-P735 PolarHBondContact NE2-O 3.29Å
736	I	90	Very high	90.5	Very high	42 Å²	42	37 Å²	37	22%	0.215	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	30.4	-177.7	56.8	168.9	0	0	0	112.7	G734 Y738 E739 M743	G734-I736 PolarHBondContact O-N 2.92Å; I736-Y738 HydrophobicContact CB-CE1 4.39Å; I736-Y738 HydrophobicContact CG2-CE1 4.45Å; I736-Y738 PolarHBondContact O-N 3.21Å; I736-E739 HydrophobicContact CB-CG 4.45Å; I736-E739 PolarHBondContact O-N 3.34Å; I736-E739 VanDerWaalsContact O-N 3.11Å; I736-M743 HydrophobicContact CD1-CB 4.28Å; I736-M743 HydrophobicContact CD1-CE 4.01Å; I736-M743 VanDerWaalsContact CD1-O 3.31Å; I736-M743 WeakPolarHBondContact CD1-O 3.45Å; I736-M743 WeakPolarHBondContact CG1-O 3.28Å
737	Y	90.9	Very high	90.8	Very high	24 Å²	24	36 Å²	36	9%	0.094	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.2	-175.7	81.2	-86.9	0	0	0	115.6	M720 H726 K729 Q730 L733 G734	M720-Y737 HydrophobicContact CE-CD2 4.45Å; M720-Y737 HydrophobicContact SD-CD2 3.73Å; M720-Y737 HydrophobicContact SD-CE2 4.28Å; H726-Y737 AromaticContact CE1-CE1 3.76Å; H726-Y737 AromaticContact ND1-CE1 3.51Å; H726-Y737 AromaticContact ND1-CZ 3.64Å; H726-Y737 PolarHBondContact ND1-OH 2.89Å; K729-Y737 HydrophobicContact CB-CD1 4.16Å; K729-Y737 HydrophobicContact CB-CD2 4.38Å; K729-Y737 HydrophobicContact CB-CE1 3.59Å; K729-Y737 HydrophobicContact CB-CE2 3.88Å; K729-Y737 VanDerWaalsContact CB-CZ 3.46Å; K729-Y737 HydrophobicContact CD-CE2 3.85Å; Q730-Y737 HydrophobicContact CB-CD1 4.41Å; Q730-Y737 HydrophobicContact CG-CD1 3.85Å; Q730-Y737 HydrophobicContact CG-CE1 3.73Å; L733-Y737 HydrophobicContact CB-CG 4.09Å; L733-Y737 HydrophobicContact CD1-CD2 3.92Å; L733-Y737 HydrophobicContact CD1-CG 4.29Å; G734-Y737 WeakPolarHBondContact O-CB 3.41Å; G734-Y737 PolarHBondContact O-N 2.88Å
738	Y	86.3	Confident	91	Very high	76 Å²	76	36.3 Å²	36.3	30%	0.298	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.7	-177.2	57.6	-97.6	0	0	0	113.5	I215 H726 I736	I215-Y738 HydrophobicContact CD1-CD1 4.49Å; I215-Y738 HydrophobicContact CD1-CD2 3.58Å; I215-Y738 HydrophobicContact CD1-CE2 3.85Å; I215-Y738 HydrophobicContact CD1-CG 3.93Å; H726-Y738 AromaticContact CE1-CD1 3.68Å; I736-Y738 HydrophobicContact CB-CE1 4.39Å; I736-Y738 HydrophobicContact CG2-CE1 4.45Å; I736-Y738 PolarHBondContact O-N 3.21Å
739	E	88.4	Confident	91.1	Very high	90 Å²	90	38.3 Å²	38.3	42%	0.421	19%	0.185	S	C	.	.	S	Bend	trans	-73.7	149.3	168.9	-65.9	-62.2	159.9	0	0	110.5	I736 M743 G744	I736-E739 HydrophobicContact CB-CG 4.45Å; I736-E739 PolarHBondContact O-N 3.34Å; I736-E739 VanDerWaalsContact O-N 3.11Å; E739-M743 HydrophobicContact CB-CB 4.42Å; E739-G744 VanDerWaalsContact O-CA 3.27Å; E739-G744 WeakPolarHBondContact O-CA 3.31Å
740	D	86.9	Confident	91.2	Very high	52 Å²	52	37.3 Å²	37.3	28%	0.278	18%	0.181	S	C	.	.	S	Bend	trans	-80.7	160.7	171.1	-69.3	-46.9	0	0	0	110.9	S180 T181 Y761	S180-D740 WeakPolarHBondContact CB-OD2 3.29Å; S180-D740 PolarHBondContact OG-OD2 3.04Å; T181-D740 WeakPolarHBondContact CB-OD2 3.4Å; T181-D740 PolarHBondContact N-OD2 2.74Å; T181-D740 WeakPolarHBondContact OG1-CB 3.4Å; T181-D740 PolarHBondContact OG1-OD2 2.91Å; D740-Y761 HydrophobicContact CB-CD2 4.22Å; D740-Y761 HydrophobicContact CB-CE2 3.63Å
741	G	89.3	Confident	91.4	Very high	8 Å²	8	34.9 Å²	34.9	8%	0.082	17%	0.17	C	C	.	.	S	Bend	trans	76	-161.7	179	0	0	0	0	0	114.8	M743 G744 V757 Y761	G741-M743 VanDerWaalsContact C-N 3.27Å; G741-M743 PolarHBondContact O-N 2.96Å; G741-G744 PolarHBondContact O-N 2.86Å; G741-V757 VanDerWaalsContact O-CG1 3.26Å; G741-V757 WeakPolarHBondContact O-CG1 3.4Å; G741-Y761 VanDerWaalsContact CA-CG 3.43Å
742	I	89.3	Confident	91.6	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.082	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.6	-35	-173.6	-72.5	153.7	0	0	0	112	D130 I133 G744 N745 E754 V757 A758	D130-I742 HydrophobicContact CB-CD1 3.81Å; D130-I742 WeakPolarHBondContact OD1-CB 3.41Å; D130-I742 VanDerWaalsContact OD1-CD1 3.22Å; D130-I742 WeakPolarHBondContact OD1-CD1 3.4Å; D130-I742 WeakPolarHBondContact OD1-CG1 3.27Å; D130-I742 PolarHBondContact OD1-N 2.9Å; D130-I742 VanDerWaalsContact OD1-N 3.07Å; I133-I742 HydrophobicContact CD1-CD1 3.37Å; I133-I742 HydrophobicContact CD1-CG1 4.09Å; I133-I742 HydrophobicContact CD1-CG2 4.21Å; I133-I742 HydrophobicContact CG1-CD1 3.65Å; I742-G744 PolarHBondContact O-N 3.38Å; I742-N745 PolarHBondContact O-N 3.42Å; I742-E754 HydrophobicContact CG1-CB 4.41Å; I742-E754 HydrophobicContact CG2-CB 4.09Å; I742-E754 HydrophobicContact CG2-CG 4.2Å; I742-V757 HydrophobicContact CG1-CB 4.47Å; I742-A758 HydrophobicContact CD1-CB 3.65Å; I742-A758 HydrophobicContact CG1-CB 4.11Å
743	M	86.1	Confident	91.6	Very high	93 Å²	93	29.4 Å²	29.4	46%	0.458	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-57.9	-33	179.1	-65.3	-61.8	-74.6	0	0	112.2	I736 E739 G741 N745	I736-M743 HydrophobicContact CD1-CB 4.28Å; I736-M743 HydrophobicContact CD1-CE 4.01Å; I736-M743 VanDerWaalsContact CD1-O 3.31Å; I736-M743 WeakPolarHBondContact CD1-O 3.45Å; I736-M743 WeakPolarHBondContact CG1-O 3.28Å; E739-M743 HydrophobicContact CB-CB 4.42Å; G741-M743 VanDerWaalsContact C-N 3.27Å; G741-M743 PolarHBondContact O-N 2.96Å; M743-N745 PolarHBondContact O-N 3.35Å
744	G	88.1	Confident	91.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-75.1	13.5	174.8	0	0	0	0	0	116.2	R716 E739 G741 I742	R716-G744 PolarHBondContact NH2-O 3.07Å; E739-G744 VanDerWaalsContact O-CA 3.27Å; E739-G744 WeakPolarHBondContact O-CA 3.31Å; G741-G744 PolarHBondContact O-N 2.86Å; I742-G744 PolarHBondContact O-N 3.38Å
745	N	92.9	Very high	91.9	Very high	8 Å²	8	32 Å²	32	4%	0.043	16%	0.157	C	C	.	.			trans	-139.6	102	-174.1	-178.6	75.9	0	0	0	114	R716 I742 M743 I747 T750 V752 V757	R716-N745 PolarHBondContact NE-OD1 3.39Å; I742-N745 PolarHBondContact O-N 3.42Å; M743-N745 PolarHBondContact O-N 3.35Å; N745-I747 PolarHBondContact O-N 2.99Å; N745-T750 WeakPolarHBondContact OD1-CB 3.45Å; N745-T750 WeakPolarHBondContact OD1-CG2 3.41Å; N745-T750 PolarHBondContact OD1-OG1 3.25Å; N745-V752 PolarHBondContact ND2-O 2.85Å; N745-V757 HydrophobicContact CB-CG1 4.33Å; N745-V757 HydrophobicContact CB-CG2 3.91Å
746	D	93.9	Very high	92.4	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.102	15%	0.145	C	C	.	.			trans	-81.7	96.3	166.7	-174.8	-11.5	0	0	0	109.8	L733 T748 R749 T750	L733-D746 WeakPolarHBondContact O-CB 3.28Å; L733-D746 PolarHBondContact O-N 2.69Å; D746-T748 PolarHBondContact O-N 3.32Å; D746-T748 WeakPolarHBondContact OD1-CA 3.45Å; D746-T748 VanDerWaalsContact OD1-CB 3.29Å; D746-T748 WeakPolarHBondContact OD1-CB 3.19Å; D746-T748 PolarHBondContact OD1-N 3.48Å; D746-T748 PolarHBondContact OD1-OG1 3.16Å; D746-T748 PolarHBondContact OD2-OG1 3.04Å; D746-R749 HydrophobicContact CB-CG 4.26Å; D746-R749 PolarHBondContact O-N 3.44Å; D746-R749 WeakPolarHBondContact OD2-CD 3.36Å; D746-R749 IonicContact OD2-CZ 3.51Å; D746-R749 IonicContact OD2-NE 3.25Å; D746-R749 PolarHBondContact OD2-NE 2.79Å; D746-R749 IonicContact OD2-NH2 2.89Å; D746-T750 PolarHBondContact O-N 3.43Å; D746-T750 PolarHBondContact O-OG1 2.89Å
747	I	94.7	Very high	92.7	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-54.4	-27.3	177.8	-165.3	-177.4	0	0	0	112.4	V321 N745 R749 N751 V752	V321-I747 HydrophobicContact CG2-CD1 3.77Å; V321-I747 HydrophobicContact CG2-CG1 3.92Å; V321-I747 HydrophobicContact CG2-CG2 4.17Å; N745-I747 PolarHBondContact O-N 2.99Å; I747-R749 PolarHBondContact O-N 2.82Å; I747-R749 VanDerWaalsContact O-N 3.11Å; I747-N751 WeakPolarHBondContact O-CA 3.48Å; I747-N751 PolarHBondContact O-N 3.42Å; I747-V752 WeakPolarHBondContact CG1-O 3.47Å
748	T	94.1	Very high	92.9	Very high	45 Å²	45	27.7 Å²	27.7	28%	0.276	14%	0.135	S	C	.	.	H	α-helix	trans	-70.4	-5.2	176.9	80.8	0	0	0	0	113.3	V321 R324 D746	V321-T748 HydrophobicContact CG1-CG2 4.48Å; R324-T748 VanDerWaalsContact CZ-O 3.24Å; R324-T748 PolarHBondContact NE-O 2.87Å; R324-T748 PolarHBondContact NH2-O 2.84Å; D746-T748 PolarHBondContact O-N 3.32Å; D746-T748 WeakPolarHBondContact OD1-CA 3.45Å; D746-T748 VanDerWaalsContact OD1-CB 3.29Å; D746-T748 WeakPolarHBondContact OD1-CB 3.19Å; D746-T748 PolarHBondContact OD1-N 3.48Å; D746-T748 PolarHBondContact OD1-OG1 3.16Å; D746-T748 PolarHBondContact OD2-OG1 3.04Å
749	R	94.4	Very high	93.4	Very high	81 Å²	81	24.7 Å²	24.7	31%	0.306	12%	0.123	S	C	.	.	H	α-helix	trans	-121.2	-45.9	174.1	-54.4	177.8	-163.4	-115	-2	112.7	Q731 W732 D746 I747	Q731-R749 PolarHBondContact O-NH1 3.04Å; W732-R749 WeakPolarHBondContact O-CB 3.2Å; D746-R749 HydrophobicContact CB-CG 4.26Å; D746-R749 PolarHBondContact O-N 3.44Å; D746-R749 WeakPolarHBondContact OD2-CD 3.36Å; D746-R749 IonicContact OD2-CZ 3.51Å; D746-R749 IonicContact OD2-NE 3.25Å; D746-R749 PolarHBondContact OD2-NE 2.79Å; D746-R749 IonicContact OD2-NH2 2.89Å; I747-R749 PolarHBondContact O-N 2.82Å; I747-R749 VanDerWaalsContact O-N 3.11Å
750	T	96	Very high	93.8	Very high	5 Å²	5	22 Å²	22	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-81	-24.5	-175.5	68.6	0	0	0	0	113.4	T329 R716 L733 N745 D746 V752	T329-T750 WeakPolarHBondContact CG2-O 3.26Å; R716-T750 HydrophobicContact CG-CG2 4.28Å; L733-T750 HydrophobicContact CB-CG2 4.43Å; L733-T750 HydrophobicContact CD2-CG2 3.85Å; N745-T750 WeakPolarHBondContact OD1-CB 3.45Å; N745-T750 WeakPolarHBondContact OD1-CG2 3.41Å; N745-T750 PolarHBondContact OD1-OG1 3.25Å; D746-T750 PolarHBondContact O-N 3.43Å; D746-T750 PolarHBondContact O-OG1 2.89Å; T750-V752 PolarHBondContact O-N 3.15Å; T750-V752 VanDerWaalsContact O-N 3.11Å; T750-V752 PolarHBondContact OG1-N 3.48Å; T750-V752 VanDerWaalsContact OG1-N 3.13Å
751	N	97.3	Very high	94.2	Very high	3 Å²	3	21 Å²	21	2%	0.016	10%	0.101	C	C	.	.			trans	54.7	13.6	-166.5	-153	39.3	0	0	0	115.2	Q318 R324 T329 C712 I747 P753	Q318-N751 PolarHBondContact NE2-ND2 2.76Å; Q318-N751 PolarHBondContact NE2-O 3.2Å; R324-N751 HydrophobicContact CG-CB 3.61Å; T329-N751 HydrophobicContact CG2-CB 3.42Å; T329-N751 VanDerWaalsContact CG2-CB 3.42Å; C712-N751 HydrophobicContact CB-CB 4.15Å; I747-N751 WeakPolarHBondContact O-CA 3.48Å; I747-N751 PolarHBondContact O-N 3.42Å; N751-P753 WeakPolarHBondContact O-CD 3.41Å
752	V	97.4	Very high	94.5	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.018	11%	0.106	C	C	.	.			trans	-88.6	116.6	175.7	-176.5	0	0	0	0	107.8	C712 E713 R716 N745 I747 T750 E754 R756 V757	C712-V752 VanDerWaalsContact C-CG2 3.49Å; C712-V752 HydrophobicContact CB-CG2 4.02Å; C712-V752 WeakPolarHBondContact O-CG2 3.3Å; E713-V752 HydrophobicContact CB-CG2 4.48Å; R716-V752 HydrophobicContact CB-CG2 4.01Å; N745-V752 PolarHBondContact ND2-O 2.85Å; I747-V752 WeakPolarHBondContact CG1-O 3.47Å; T750-V752 PolarHBondContact O-N 3.15Å; T750-V752 VanDerWaalsContact O-N 3.11Å; T750-V752 PolarHBondContact OG1-N 3.48Å; T750-V752 VanDerWaalsContact OG1-N 3.13Å; V752-E754 PolarHBondContact O-N 2.95Å; V752-R756 HydrophobicContact CG1-CB 3.97Å; V752-R756 HydrophobicContact CG1-CG 3.96Å; V752-V757 HydrophobicContact CG1-CG2 3.8Å
753	P	96.3	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.			trans	-52.5	138.3	177.5	-29.7	38.7	0	0	0	112.5	E314 A317 Q318 C709 N751 I755 R756 V757	E314-P753 HydrophobicContact CB-CB 4.36Å; E314-P753 HydrophobicContact CB-CG 4.01Å; E314-P753 HydrophobicContact CG-CB 4.33Å; E314-P753 HydrophobicContact CG-CG 4.43Å; E314-P753 WeakPolarHBondContact O-CG 3.44Å; A317-P753 HydrophobicContact CB-CB 4.13Å; A317-P753 HydrophobicContact CB-CG 4.41Å; Q318-P753 HydrophobicContact CG-CG 3.65Å; C709-P753 WeakPolarHBondContact SG-CD 3.42Å; N751-P753 WeakPolarHBondContact O-CD 3.41Å; P753-I755 HydrophobicContact CB-CB 4.33Å; P753-I755 PolarHBondContact O-N 3.11Å; P753-I755 VanDerWaalsContact O-N 3.11Å; P753-R756 WeakPolarHBondContact O-CB 3.18Å; P753-R756 PolarHBondContact O-N 2.97Å; P753-V757 PolarHBondContact O-N 2.63Å
754	E	94.5	Very high	95.2	Very high	47 Å²	47	17.9 Å²	17.9	22%	0.22	8%	0.083	C	C	.	.	H	α-helix	trans	-54.8	-32.5	173.9	-54.3	174.8	160.4	0	0	110.8	R128 I133 I742 V752 R756 V757 A758	R128-E754 IonicContact NH1-OE1 3.15Å; I133-E754 HydrophobicContact CD1-CB 3.29Å; I133-E754 HydrophobicContact CD1-CG 4.29Å; I133-E754 WeakPolarHBondContact CD1-OE2 3.37Å; I742-E754 HydrophobicContact CG1-CB 4.41Å; I742-E754 HydrophobicContact CG2-CB 4.09Å; I742-E754 HydrophobicContact CG2-CG 4.2Å; V752-E754 PolarHBondContact O-N 2.95Å; E754-R756 PolarHBondContact O-N 3.34Å; E754-V757 PolarHBondContact O-N 2.73Å; E754-A758 WeakPolarHBondContact O-CB 3.16Å; E754-A758 PolarHBondContact O-N 3.43Å
755	I	96	Very high	95.5	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-54.6	-44.1	171.2	-63.2	175.1	0	0	0	113	I133 F135 N310 R313 E314 P753 Y759	I133-I755 HydrophobicContact CG2-CG1 3.77Å; F135-I755 HydrophobicContact CB-CB 4.44Å; F135-I755 HydrophobicContact CB-CD1 4.3Å; F135-I755 HydrophobicContact CB-CG1 4.12Å; F135-I755 HydrophobicContact CB-CG2 3.68Å; F135-I755 HydrophobicContact CD1-CG2 4.37Å; F135-I755 HydrophobicContact CD2-CG2 4.15Å; F135-I755 HydrophobicContact CG-CG2 3.85Å; N310-I755 HydrophobicContact CB-CG2 4.29Å; R313-I755 HydrophobicContact CB-CD1 3.63Å; E314-I755 HydrophobicContact CG-CB 4.14Å; E314-I755 HydrophobicContact CG-CG2 3.76Å; P753-I755 HydrophobicContact CB-CB 4.33Å; P753-I755 PolarHBondContact O-N 3.11Å; P753-I755 VanDerWaalsContact O-N 3.11Å; I755-Y759 PolarHBondContact O-N 3.47Å
756	R	97.3	Very high	95.5	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-45.2	179.6	177.6	60.2	64.5	95.3	-2.1	110.2	Y303 E314 C709 D710 E713 V752 P753 E754 Y759 R760	Y303-R756 PolarHBondContact OH-NH1 2.9Å; Y303-R756 VanDerWaalsContact OH-NH1 3.08Å; Y303-R756 PolarHBondContact OH-NH2 2.98Å; E314-R756 WeakPolarHBondContact OE1-CB 3.28Å; E314-R756 IonicContact OE1-CZ 3.57Å; E314-R756 IonicContact OE1-NE 2.78Å; E314-R756 PolarHBondContact OE1-NE 2.96Å; E314-R756 IonicContact OE1-NH2 3.51Å; E314-R756 IonicContact OE2-CZ 3.51Å; E314-R756 IonicContact OE2-NE 3.39Å; E314-R756 PolarHBondContact OE2-NE 2.92Å; E314-R756 IonicContact OE2-NH2 2.86Å; E314-R756 PolarHBondContact OE2-NH2 3.18Å; C709-R756 PolarHBondContact SG-NH2 3.32Å; C709-R756 VanDerWaalsContact SG-NH2 3.43Å; D710-R756 IonicContact OD1-CZ 2.66Å; D710-R756 VanDerWaalsContact OD1-CZ 3.27Å; D710-R756 IonicContact OD1-NH1 2.73Å; D710-R756 PolarHBondContact OD1-NH1 3.17Å; D710-R756 IonicContact OD1-NH2 3.22Å; D710-R756 PolarHBondContact OD1-NH2 3.03Å; E713-R756 IonicContact OE2-CZ 2.82Å; E713-R756 IonicContact OE2-NH1 2.78Å; E713-R756 PolarHBondContact OE2-NH1 3.04Å; V752-R756 HydrophobicContact CG1-CB 3.97Å; V752-R756 HydrophobicContact CG1-CG 3.96Å; P753-R756 WeakPolarHBondContact O-CB 3.18Å; P753-R756 PolarHBondContact O-N 2.97Å; E754-R756 PolarHBondContact O-N 3.34Å; R756-Y759 PolarHBondContact O-N 2.9Å; R756-R760 WeakPolarHBondContact O-CG 3.26Å; R756-R760 PolarHBondContact O-N 2.82Å
757	V	96.3	Very high	95.5	Very high	14 Å²	14	22.8 Å²	22.8	9%	0.085	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-42.6	-179.9	-175	0	0	0	0	110.9	G741 I742 N745 V752 P753 E754 R760 Y761	G741-V757 VanDerWaalsContact O-CG1 3.26Å; G741-V757 WeakPolarHBondContact O-CG1 3.4Å; I742-V757 HydrophobicContact CG1-CB 4.47Å; N745-V757 HydrophobicContact CB-CG1 4.33Å; N745-V757 HydrophobicContact CB-CG2 3.91Å; V752-V757 HydrophobicContact CG1-CG2 3.8Å; P753-V757 PolarHBondContact O-N 2.63Å; E754-V757 PolarHBondContact O-N 2.73Å; V757-R760 PolarHBondContact O-N 3.31Å; V757-Y761 WeakPolarHBondContact O-CB 3.16Å; V757-Y761 PolarHBondContact O-N 2.86Å
758	A	95.4	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.8	-53.7	172.2	0	0	0	0	0	111.2	F135 I742 E754 R760 Y761 E762	F135-A758 HydrophobicContact CD1-CB 4.43Å; F135-A758 HydrophobicContact CE1-CB 3.54Å; F135-A758 HydrophobicContact CZ-CB 4.01Å; I742-A758 HydrophobicContact CD1-CB 3.65Å; I742-A758 HydrophobicContact CG1-CB 4.11Å; E754-A758 WeakPolarHBondContact O-CB 3.16Å; E754-A758 PolarHBondContact O-N 3.43Å; A758-R760 VanDerWaalsContact C-N 3.33Å; A758-R760 PolarHBondContact O-N 3.42Å; A758-Y761 PolarHBondContact O-N 3.38Å; A758-E762 VanDerWaalsContact O-CB 3.27Å; A758-E762 WeakPolarHBondContact O-CB 3.24Å; A758-E762 VanDerWaalsContact O-CG 3.29Å; A758-E762 WeakPolarHBondContact O-CG 3.29Å; A758-E762 PolarHBondContact O-N 3.24Å
759	Y	96.7	Very high	95.2	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.051	10%	0.101	C	C	.	.	H	α-helix	trans	-55.5	-45.5	178.8	168.9	-92.1	0	0	0	112.6	K302 Y303 H306 I755 R756 T763	K302-Y759 VanDerWaalsContact C-OH 3.26Å; K302-Y759 HydrophobicContact CD-CE2 4.04Å; K302-Y759 HydrophobicContact CG-CE2 4.07Å; Y303-Y759 WeakPolarHBondContact CA-OH 3.37Å; Y303-Y759 HydrophobicContact CD2-CD1 4.37Å; Y303-Y759 AromaticContact CD2-CE1 3.75Å; Y303-Y759 HydrophobicContact CD2-CE1 3.75Å; Y303-Y759 PolarHBondContact N-OH 3.38Å; H306-Y759 HydrophobicContact CB-CD2 3.68Å; H306-Y759 HydrophobicContact CB-CE2 3.6Å; H306-Y759 HydrophobicContact CB-CG 4.26Å; H306-Y759 AromaticContact CD2-CG 3.88Å; H306-Y759 AromaticContact CE1-CG 3.81Å; H306-Y759 AromaticContact CG-CD2 3.46Å; H306-Y759 VanDerWaalsContact CG-CD2 3.46Å; H306-Y759 AromaticContact CG-CE2 3.92Å; H306-Y759 AromaticContact CG-CG 3.64Å; H306-Y759 AromaticContact ND1-CD2 3.44Å; H306-Y759 WeakPolarHBondContact ND1-CD2 3.25Å; H306-Y759 AromaticContact ND1-CG 3.64Å; H306-Y759 AromaticContact NE2-CG 3.97Å; I755-Y759 PolarHBondContact O-N 3.47Å; R756-Y759 PolarHBondContact O-N 2.9Å; Y759-T763 WeakPolarHBondContact O-CB 3.41Å; Y759-T763 PolarHBondContact O-N 3.11Å; Y759-T763 VanDerWaalsContact O-N 3.1Å; Y759-T763 PolarHBondContact O-OG1 2.74Å
760	R	97.3	Very high	94.9	Very high	34 Å²	34	18.6 Å²	18.6	13%	0.128	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-49.6	177.9	-66.9	-61.5	-172.9	-167.1	2.1	111.5	L670 A671 E713 R756 V757 A758 T763 L764	L670-R760 PolarHBondContact O-NH1 3.09Å; L670-R760 PolarHBondContact O-NH2 3.43Å; A671-R760 PolarHBondContact O-NH1 3.22Å; E713-R760 WeakPolarHBondContact OE1-CG 3.27Å; E713-R760 IonicContact OE1-CZ 2.68Å; E713-R760 IonicContact OE1-NE 3.5Å; E713-R760 PolarHBondContact OE1-NE 3.23Å; E713-R760 IonicContact OE1-NH2 3.52Å; E713-R760 PolarHBondContact OE1-NH2 2.91Å; E713-R760 IonicContact OE2-CZ 3.81Å; E713-R760 IonicContact OE2-NE 3.53Å; E713-R760 IonicContact OE2-NH2 3.3Å; E713-R760 PolarHBondContact OE2-NH2 3.37Å; R756-R760 WeakPolarHBondContact O-CG 3.26Å; R756-R760 PolarHBondContact O-N 2.82Å; V757-R760 PolarHBondContact O-N 3.31Å; A758-R760 VanDerWaalsContact C-N 3.33Å; A758-R760 PolarHBondContact O-N 3.42Å; R760-T763 PolarHBondContact O-N 3.47Å; R760-L764 PolarHBondContact O-N 3.18Å
761	Y	95.7	Very high	94.6	Very high	29 Å²	29	18.4 Å²	18.4	11%	0.114	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-47.1	-174.8	-177.7	-129.3	0	0	0	112.1	D130 T181 R184 D740 G741 V757 A758 T763 L764 L765	D130-Y761 WeakPolarHBondContact OD2-CE1 3.36Å; T181-Y761 HydrophobicContact CG2-CE2 4.21Å; R184-Y761 PolarHBondContact NH2-OH 3.04Å; D740-Y761 HydrophobicContact CB-CD2 4.22Å; D740-Y761 HydrophobicContact CB-CE2 3.63Å; G741-Y761 VanDerWaalsContact CA-CG 3.43Å; V757-Y761 WeakPolarHBondContact O-CB 3.16Å; V757-Y761 PolarHBondContact O-N 2.86Å; A758-Y761 PolarHBondContact O-N 3.38Å; Y761-T763 VanDerWaalsContact C-N 3.25Å; Y761-T763 PolarHBondContact O-N 3.26Å; Y761-L764 PolarHBondContact O-N 3Å; Y761-L764 VanDerWaalsContact O-N 3.13Å; Y761-L765 HydrophobicContact CD1-CD1 4.05Å; Y761-L765 HydrophobicContact CD2-CD1 4.43Å; Y761-L765 HydrophobicContact CD2-CG 4.23Å; Y761-L765 HydrophobicContact CE1-CD1 3.78Å; Y761-L765 HydrophobicContact CE2-CD1 4.14Å; Y761-L765 HydrophobicContact CE2-CD2 4.04Å; Y761-L765 HydrophobicContact CE2-CG 4.03Å; Y761-L765 HydrophobicContact CG-CD1 4.39Å; Y761-L765 VanDerWaalsContact O-CG 3.31Å; Y761-L765 WeakPolarHBondContact O-CG 3.3Å; Y761-L765 PolarHBondContact O-N 3.19Å
762	E	94.4	Very high	94.1	Very high	40 Å²	40	18.2 Å²	18.2	19%	0.187	9%	0.091	C	C	.	.	H	α-helix	trans	-55.7	-41.4	172.6	-71	174.6	-167.6	0	0	111.3	R137 A758 L765 D766	R137-E762 WeakPolarHBondContact CD-OE2 3.49Å; R137-E762 IonicContact CZ-OE1 2.64Å; R137-E762 VanDerWaalsContact CZ-OE1 3.23Å; R137-E762 IonicContact CZ-OE2 2.62Å; R137-E762 VanDerWaalsContact NE-CD 3.29Å; R137-E762 IonicContact NE-OE1 2.71Å; R137-E762 PolarHBondContact NE-OE1 3.09Å; R137-E762 IonicContact NE-OE2 2.71Å; R137-E762 PolarHBondContact NE-OE2 3.26Å; R137-E762 IonicContact NH2-OE1 3.67Å; R137-E762 PolarHBondContact NH2-OE1 3.49Å; A758-E762 VanDerWaalsContact O-CB 3.27Å; A758-E762 WeakPolarHBondContact O-CB 3.24Å; A758-E762 VanDerWaalsContact O-CG 3.29Å; A758-E762 WeakPolarHBondContact O-CG 3.29Å; A758-E762 PolarHBondContact O-N 3.24Å; E762-L765 PolarHBondContact O-N 2.9Å; E762-D766 WeakPolarHBondContact O-CB 3.19Å; E762-D766 VanDerWaalsContact O-CG 3.24Å; E762-D766 PolarHBondContact O-N 2.79Å
763	T	95.3	Very high	93.2	Very high	4 Å²	4	24 Å²	24	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-71.7	-31	178.6	-56.5	0	0	0	0	113.3	L299 K302 Y641 Y759 R760 Y761 E767	L299-T763 HydrophobicContact CD2-CG2 3.4Å; K302-T763 HydrophobicContact CD-CG2 3.72Å; K302-T763 PolarHBondContact NZ-OG1 2.89Å; Y641-T763 PolarHBondContact OH-O 3.08Å; Y641-T763 VanDerWaalsContact OH-O 3.1Å; Y759-T763 WeakPolarHBondContact O-CB 3.41Å; Y759-T763 PolarHBondContact O-N 3.11Å; Y759-T763 VanDerWaalsContact O-N 3.1Å; Y759-T763 PolarHBondContact O-OG1 2.74Å; R760-T763 PolarHBondContact O-N 3.47Å; Y761-T763 VanDerWaalsContact C-N 3.25Å; Y761-T763 PolarHBondContact O-N 3.26Å; T763-E767 PolarHBondContact O-N 3.14Å
764	L	96.3	Very high	92	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-40.6	171.3	-178	61.1	0	0	0	111.4	Y641 Q644 R760 Y761 E767 L768	Y641-L764 HydrophobicContact CE1-CD1 4.02Å; Y641-L764 WeakPolarHBondContact OH-CA 3.24Å; Y641-L764 PolarHBondContact OH-N 2.98Å; Q644-L764 HydrophobicContact CG-CD2 3.75Å; R760-L764 PolarHBondContact O-N 3.18Å; Y761-L764 PolarHBondContact O-N 3Å; Y761-L764 VanDerWaalsContact O-N 3.13Å; L764-E767 PolarHBondContact O-N 3.2Å; L764-L768 HydrophobicContact CD1-CD1 3.99Å; L764-L768 HydrophobicContact CD1-CG 4.24Å; L764-L768 HydrophobicContact CG-CD1 3.9Å; L764-L768 WeakPolarHBondContact O-CB 3.41Å; L764-L768 WeakPolarHBondContact O-CG 3.42Å; L764-L768 PolarHBondContact O-N 3.46Å
765	L	93.9	Very high	90.5	Very high	52 Å²	52	23.1 Å²	23.1	27%	0.272	11%	0.113	S	C	.	.	H	α-helix	trans	-63.4	-39	173.3	-67.7	178.2	0	0	0	111.9	T181 F185 Y761 E762 S769	T181-L765 HydrophobicContact CG2-CD2 3.56Å; F185-L765 HydrophobicContact CE2-CD2 3.79Å; F185-L765 HydrophobicContact CZ-CD2 4.33Å; Y761-L765 HydrophobicContact CD1-CD1 4.05Å; Y761-L765 HydrophobicContact CD2-CD1 4.43Å; Y761-L765 HydrophobicContact CD2-CG 4.23Å; Y761-L765 HydrophobicContact CE1-CD1 3.78Å; Y761-L765 HydrophobicContact CE2-CD1 4.14Å; Y761-L765 HydrophobicContact CE2-CD2 4.04Å; Y761-L765 HydrophobicContact CE2-CG 4.03Å; Y761-L765 HydrophobicContact CG-CD1 4.39Å; Y761-L765 VanDerWaalsContact O-CG 3.31Å; Y761-L765 WeakPolarHBondContact O-CG 3.3Å; Y761-L765 PolarHBondContact O-N 3.19Å; E762-L765 PolarHBondContact O-N 2.9Å; L765-S769 WeakPolarHBondContact O-CA 3.39Å; L765-S769 WeakPolarHBondContact O-CB 3.28Å; L765-S769 PolarHBondContact O-N 3.35Å
766	D	91.7	Very high	88.6	Confident	77 Å²	77	26 Å²	26	41%	0.412	13%	0.127	S	C	.	.	H	α-helix	trans	-59.4	-54.1	174	-77	-25.9	0	0	0	111.3	K302 E762 S769 N770	K302-D766 IonicContact NZ-OD2 2.77Å; K302-D766 PolarHBondContact NZ-OD2 2.87Å; E762-D766 WeakPolarHBondContact O-CB 3.19Å; E762-D766 VanDerWaalsContact O-CG 3.24Å; E762-D766 PolarHBondContact O-N 2.79Å; D766-S769 PolarHBondContact O-N 3.43Å; D766-N770 WeakPolarHBondContact O-CB 3.18Å; D766-N770 PolarHBondContact O-N 3.13Å
767	E	93.8	Very high	86.7	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-40.5	-176.3	-68.5	-51	86.5	0	0	112.4	R295 Y298 L299 Y638 Y641 L642 T763 L764 N770 I771	R295-E767 IonicContact CZ-OE1 2.79Å; R295-E767 IonicContact CZ-OE2 3.48Å; R295-E767 IonicContact NE-OE1 3.63Å; R295-E767 IonicContact NE-OE2 3.69Å; R295-E767 PolarHBondContact NE-OE2 2.97Å; R295-E767 IonicContact NH2-OE1 3.84Å; R295-E767 PolarHBondContact NH2-OE1 3.31Å; R295-E767 IonicContact NH2-OE2 2.79Å; R295-E767 PolarHBondContact NH2-OE2 3.33Å; Y298-E767 WeakPolarHBondContact CE1-OE1 3.49Å; L299-E767 HydrophobicContact CD2-CG 3.98Å; Y638-E767 HydrophobicContact CE2-CG 4.49Å; Y638-E767 PolarHBondContact OH-OE2 3.05Å; Y641-E767 HydrophobicContact CE1-CB 3.98Å; Y641-E767 HydrophobicContact CE1-CG 3.91Å; L642-E767 HydrophobicContact CD2-CB 4.25Å; T763-E767 PolarHBondContact O-N 3.14Å; L764-E767 PolarHBondContact O-N 3.2Å; E767-N770 WeakPolarHBondContact O-CB 3.45Å; E767-N770 PolarHBondContact O-N 3.49Å; E767-I771 WeakPolarHBondContact O-CG1 3.47Å; E767-I771 PolarHBondContact O-N 2.99Å; E767-I771 VanDerWaalsContact O-N 3.16Å
768	L	93.3	Very high	84.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-41.8	171.8	-72.1	169.4	0	0	0	110.9	T181 T182 F185 L642 L764 N770 I771 F772	T181-L768 HydrophobicContact CG2-CD1 3.83Å; T182-L768 HydrophobicContact CG2-CD2 3.95Å; F185-L768 HydrophobicContact CD1-CB 4.14Å; F185-L768 HydrophobicContact CD2-CB 3.72Å; F185-L768 HydrophobicContact CD2-CD1 3.73Å; F185-L768 HydrophobicContact CD2-CG 4.26Å; F185-L768 HydrophobicContact CE1-CB 4.11Å; F185-L768 HydrophobicContact CE2-CB 3.68Å; F185-L768 HydrophobicContact CE2-CD1 4Å; F185-L768 HydrophobicContact CE2-CG 4.49Å; F185-L768 HydrophobicContact CG-CB 3.95Å; F185-L768 HydrophobicContact CG-CD1 4.5Å; F185-L768 HydrophobicContact CZ-CB 3.87Å; L642-L768 HydrophobicContact CD2-CD2 3.88Å; L642-L768 HydrophobicContact CD2-CG 4.2Å; L764-L768 HydrophobicContact CD1-CD1 3.99Å; L764-L768 HydrophobicContact CD1-CG 4.24Å; L764-L768 HydrophobicContact CG-CD1 3.9Å; L764-L768 WeakPolarHBondContact O-CB 3.41Å; L764-L768 WeakPolarHBondContact O-CG 3.42Å; L764-L768 PolarHBondContact O-N 3.46Å; L768-N770 VanDerWaalsContact C-N 3.31Å; L768-N770 PolarHBondContact O-N 3.41Å; L768-I771 PolarHBondContact O-N 3.39Å; L768-F772 HydrophobicContact CD2-CD2 4.46Å; L768-F772 HydrophobicContact CD2-CE2 4.04Å; L768-F772 WeakPolarHBondContact O-CB 3.19Å; L768-F772 VanDerWaalsContact O-CD2 3.25Å; L768-F772 WeakPolarHBondContact O-CD2 3.24Å; L768-F772 PolarHBondContact O-N 3.01Å
769	S	90.1	Very high	82.2	Confident	23 Å²	23	33.3 Å²	33.3	16%	0.161	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-33.9	177	-177.2	0	0	0	0	112.8	L765 D766 K773	L765-S769 WeakPolarHBondContact O-CA 3.39Å; L765-S769 WeakPolarHBondContact O-CB 3.28Å; L765-S769 PolarHBondContact O-N 3.35Å; D766-S769 PolarHBondContact O-N 3.43Å; S769-K773 WeakPolarHBondContact O-CB 3.49Å; S769-K773 WeakPolarHBondContact O-CD 3.2Å; S769-K773 WeakPolarHBondContact O-CG 3.34Å; S769-K773 PolarHBondContact O-N 3.33Å; S769-K773 VanDerWaalsContact OG-CD 3.27Å; S769-K773 WeakPolarHBondContact OG-CD 3.46Å; S769-K773 WeakPolarHBondContact OG-CE 3.36Å; S769-K773 PolarHBondContact OG-NZ 3.48Å
770	N	87.2	Confident	79.7	Confident	26 Å²	26	37.4 Å²	37.4	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-49.2	176.1	-174.6	14.9	0	0	0	110.5	R295 D766 E767 L768	R295-N770 VanDerWaalsContact CZ-ND2 3.32Å; R295-N770 PolarHBondContact NH2-ND2 3.07Å; D766-N770 WeakPolarHBondContact O-CB 3.18Å; D766-N770 PolarHBondContact O-N 3.13Å; E767-N770 WeakPolarHBondContact O-CB 3.45Å; E767-N770 PolarHBondContact O-N 3.49Å; L768-N770 VanDerWaalsContact C-N 3.31Å; L768-N770 PolarHBondContact O-N 3.41Å
771	I	89.4	Confident	77.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-48.5	177.6	-67.4	163.8	0	0	0	111.8	S157 L160 I161 Y638 L642 E767 L768	S157-I771 VanDerWaalsContact CB-O 3.3Å; S157-I771 WeakPolarHBondContact CB-O 3.39Å; S157-I771 PolarHBondContact OG-O 2.86Å; L160-I771 HydrophobicContact CB-CG2 4.5Å; L160-I771 HydrophobicContact CD1-CD1 4.02Å; L160-I771 HydrophobicContact CD1-CG1 4.25Å; I161-I771 HydrophobicContact CD1-CG2 3.95Å; I161-I771 HydrophobicContact CG1-CG2 3.73Å; Y638-I771 HydrophobicContact CE1-CD1 3.92Å; L642-I771 HydrophobicContact CD1-CD1 3.44Å; L642-I771 VanDerWaalsContact CD1-CD1 3.44Å; L642-I771 HydrophobicContact CD2-CD1 3.73Å; L642-I771 HydrophobicContact CG-CD1 4.24Å; E767-I771 WeakPolarHBondContact O-CG1 3.47Å; E767-I771 PolarHBondContact O-N 2.99Å; E767-I771 VanDerWaalsContact O-N 3.16Å; L768-I771 PolarHBondContact O-N 3.39Å
772	F	86.8	Confident	74.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-83.4	-25	-168.9	-79.2	-101.8	0	0	0	114.2	I161 L164 F185 L186 V189 L768 Q776	I161-F772 HydrophobicContact CD1-CD1 4.01Å; I161-F772 HydrophobicContact CD1-CD2 4.44Å; I161-F772 HydrophobicContact CD1-CE1 4.05Å; I161-F772 HydrophobicContact CD1-CG 4.21Å; I161-F772 HydrophobicContact CD1-CZ 4.33Å; I161-F772 HydrophobicContact CG1-CD1 4.31Å; I161-F772 HydrophobicContact CG1-CD2 4.35Å; I161-F772 HydrophobicContact CG1-CE1 3.88Å; I161-F772 HydrophobicContact CG1-CE2 3.97Å; I161-F772 HydrophobicContact CG1-CZ 3.73Å; I161-F772 HydrophobicContact CG2-CE1 4.26Å; I161-F772 HydrophobicContact CG2-CZ 4.44Å; L164-F772 HydrophobicContact CD1-CE2 3.8Å; L164-F772 HydrophobicContact CD1-CZ 3.95Å; F185-F772 VanDerWaalsContact C-CE1 3.47Å; F185-F772 HydrophobicContact CB-CD1 4.05Å; F185-F772 HydrophobicContact CB-CD2 4Å; F185-F772 HydrophobicContact CB-CE1 4.03Å; F185-F772 HydrophobicContact CB-CE2 3.95Å; F185-F772 HydrophobicContact CB-CG 4.05Å; F185-F772 HydrophobicContact CB-CZ 3.96Å; F185-F772 HydrophobicContact CD1-CB 3.83Å; F185-F772 HydrophobicContact CD1-CD1 4.49Å; F185-F772 HydrophobicContact CD1-CD2 4.11Å; F185-F772 AromaticContact CD1-CG 3.89Å; F185-F772 HydrophobicContact CD1-CG 3.89Å; F185-F772 HydrophobicContact CE1-CB 4.48Å; F185-F772 HydrophobicContact CG-CD2 4.35Å; F185-F772 HydrophobicContact CG-CG 4.4Å; F185-F772 WeakPolarHBondContact O-CD1 3.42Å; F185-F772 VanDerWaalsContact O-CE1 3.29Å; F185-F772 WeakPolarHBondContact O-CE1 3.48Å; L186-F772 HydrophobicContact CD2-CE1 4.18Å; L186-F772 HydrophobicContact CD2-CZ 3.92Å; L186-F772 HydrophobicContact CG-CZ 4.2Å; V189-F772 HydrophobicContact CB-CD1 4.32Å; V189-F772 HydrophobicContact CG2-CD1 3.67Å; V189-F772 HydrophobicContact CG2-CE1 4.37Å; L768-F772 HydrophobicContact CD2-CD2 4.46Å; L768-F772 HydrophobicContact CD2-CE2 4.04Å; L768-F772 WeakPolarHBondContact O-CB 3.19Å; L768-F772 VanDerWaalsContact O-CD2 3.25Å; L768-F772 WeakPolarHBondContact O-CD2 3.24Å; L768-F772 PolarHBondContact O-N 3.01Å; F772-Q776 WeakPolarHBondContact O-CG 3.46Å; F772-Q776 PolarHBondContact O-N 2.93Å
773	K	79.4	Confident	72	Confident	124 Å²	124	45.1 Å²	45.1	54%	0.539	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-42.5	-179.7	-87.3	172.5	174.1	146.7	0	113.1	S769 N775 Q776 T777	S769-K773 WeakPolarHBondContact O-CB 3.49Å; S769-K773 WeakPolarHBondContact O-CD 3.2Å; S769-K773 WeakPolarHBondContact O-CG 3.34Å; S769-K773 PolarHBondContact O-N 3.33Å; S769-K773 VanDerWaalsContact OG-CD 3.27Å; S769-K773 WeakPolarHBondContact OG-CD 3.46Å; S769-K773 WeakPolarHBondContact OG-CE 3.36Å; S769-K773 PolarHBondContact OG-NZ 3.48Å; K773-N775 PolarHBondContact O-N 2.98Å; K773-Q776 WeakPolarHBondContact O-CB 3.45Å; K773-Q776 PolarHBondContact O-N 3.3Å; K773-T777 PolarHBondContact O-N 2.68Å; K773-T777 PolarHBondContact O-OG1 3.08Å; K773-T777 VanDerWaalsContact O-OG1 3.13Å
774	V	71.7	Confident	69.3	Low	11 Å²	11	51.3 Å²	51.3	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-49	-173.7	-177.6	0	0	0	0	111.2	L150 L153 E154 Q776 T777 C778	L150-V774 HydrophobicContact CD1-CG1 4.14Å; L153-V774 HydrophobicContact CD2-CG2 3.57Å; L153-V774 HydrophobicContact CG-CG2 3.93Å; E154-V774 HydrophobicContact CB-CG1 3.8Å; E154-V774 HydrophobicContact CG-CG1 4.14Å; V774-Q776 VanDerWaalsContact C-N 3.27Å; V774-Q776 PolarHBondContact O-N 3.47Å; V774-T777 WeakPolarHBondContact CA-OG1 3.29Å; V774-T777 PolarHBondContact O-N 3.15Å; V774-T777 VanDerWaalsContact O-N 3.14Å; V774-T777 PolarHBondContact O-OG1 3.17Å; V774-C778 PolarHBondContact O-N 3.47Å; V774-C778 PolarHBondContact O-SG 3.33Å; V774-C778 VanDerWaalsContact O-SG 3.39Å
775	N	61.7	Low	66.6	Low	17 Å²	17	55.2 Å²	55.2	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-22.3	177.9	-75.8	0.6	0	0	0	113.5	T158 V189 K773 S779	T158-N775 PolarHBondContact OG1-ND2 2.89Å; T158-N775 PolarHBondContact OG1-OD1 3.42Å; V189-N775 HydrophobicContact CG1-CB 4.31Å; V189-N775 HydrophobicContact CG2-CB 4.39Å; K773-N775 PolarHBondContact O-N 2.98Å; N775-S779 WeakPolarHBondContact O-CB 3.43Å; N775-S779 PolarHBondContact O-N 3.24Å
776	Q	57.9	Low	63.9	Low	71 Å²	71	60.9 Å²	60.9	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-72.8	-43.1	170	-67.6	169.9	9.8	0	0	111.3	T188 V189 F772 K773 V774 I780	T188-Q776 VanDerWaalsContact CB-NE2 3.33Å; T188-Q776 PolarHBondContact OG1-NE2 3.04Å; V189-Q776 HydrophobicContact CG2-CG 4.12Å; F772-Q776 WeakPolarHBondContact O-CG 3.46Å; F772-Q776 PolarHBondContact O-N 2.93Å; K773-Q776 WeakPolarHBondContact O-CB 3.45Å; K773-Q776 PolarHBondContact O-N 3.3Å; V774-Q776 VanDerWaalsContact C-N 3.27Å; V774-Q776 PolarHBondContact O-N 3.47Å; Q776-I780 WeakPolarHBondContact O-CG1 3.47Å; Q776-I780 PolarHBondContact O-N 2.9Å
777	T	56.3	Low	62.5	Low	89 Å²	89	60.1 Å²	60.1	55%	0.546	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-44.6	179.2	37	0	0	0	0	113	K773 V774 S779 I780 A781	K773-T777 PolarHBondContact O-N 2.68Å; K773-T777 PolarHBondContact O-OG1 3.08Å; K773-T777 VanDerWaalsContact O-OG1 3.13Å; V774-T777 WeakPolarHBondContact CA-OG1 3.29Å; V774-T777 PolarHBondContact O-N 3.15Å; V774-T777 VanDerWaalsContact O-N 3.14Å; V774-T777 PolarHBondContact O-OG1 3.17Å; T777-S779 VanDerWaalsContact C-N 3.35Å; T777-S779 PolarHBondContact O-N 3.43Å; T777-I780 PolarHBondContact O-N 3.1Å; T777-I780 VanDerWaalsContact O-N 3.11Å; T777-A781 PolarHBondContact O-N 3.35Å; T777-A781 VanDerWaalsContact O-N 3.08Å
778	C	49	Very low	60.8	Low	37 Å²	37	63.2 Å²	63.2	25%	0.25	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-39	179.3	-61.5	0	0	0	0	112	E154 V774 I780 A781 D782	E154-C778 WeakPolarHBondContact OE1-CB 3.21Å; E154-C778 PolarHBondContact OE1-SG 3.11Å; V774-C778 PolarHBondContact O-N 3.47Å; V774-C778 PolarHBondContact O-SG 3.33Å; V774-C778 VanDerWaalsContact O-SG 3.39Å; C778-I780 PolarHBondContact O-N 3.24Å; C778-I780 VanDerWaalsContact O-N 3.17Å; C778-A781 PolarHBondContact O-N 2.9Å; C778-A781 VanDerWaalsContact O-N 3.15Å; C778-D782 PolarHBondContact O-N 3.08Å
779	S	47.5	Very low	59	Low	43 Å²	43	66.7 Å²	66.7	30%	0.301	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-18.8	175.8	-173.1	0	0	0	0	114	N775 T777 M783	N775-S779 WeakPolarHBondContact O-CB 3.43Å; N775-S779 PolarHBondContact O-N 3.24Å; T777-S779 VanDerWaalsContact C-N 3.35Å; T777-S779 PolarHBondContact O-N 3.43Å; S779-M783 WeakPolarHBondContact O-CE 3.37Å
780	I	45.7	Very low	57.2	Low	99 Å²	99	69.2 Å²	69.2	51%	0.508	40%	0.401	S	S	.	.	H	α-helix	trans	-89.5	-35.7	174.1	-65.8	167.3	0	0	0	110.6	Q776 T777 C778 M783 N784	Q776-I780 WeakPolarHBondContact O-CG1 3.47Å; Q776-I780 PolarHBondContact O-N 2.9Å; T777-I780 PolarHBondContact O-N 3.1Å; T777-I780 VanDerWaalsContact O-N 3.11Å; C778-I780 PolarHBondContact O-N 3.24Å; C778-I780 VanDerWaalsContact O-N 3.17Å; I780-M783 PolarHBondContact O-N 3.4Å; I780-N784 PolarHBondContact O-N 2.97Å; I780-N784 PolarHBondContact O-ND2 3.35Å
781	A	41.5	Very low	55.3	Low	61 Å²	61	71.9 Å²	71.9	50%	0.504	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-46.8	172.7	0	0	0	0	0	111.3	T777 C778 M783 N784 A785	T777-A781 PolarHBondContact O-N 3.35Å; T777-A781 VanDerWaalsContact O-N 3.08Å; C778-A781 PolarHBondContact O-N 2.9Å; C778-A781 VanDerWaalsContact O-N 3.15Å; A781-M783 VanDerWaalsContact C-N 3.33Å; A781-M783 PolarHBondContact O-N 3.17Å; A781-N784 PolarHBondContact O-N 3.2Å; A781-N784 VanDerWaalsContact O-N 3.08Å; A781-A785 PolarHBondContact O-N 3.36Å
782	D	43	Very low	53	Low	79 Å²	79	76.7 Å²	76.7	42%	0.422	45%	0.446	S	S	.	.	H	α-helix	trans	-52.2	-46.8	174.3	-98	11.6	0	0	0	112.6	K192 C778 N784 A785	K192-D782 IonicContact NZ-OD2 2.58Å; K192-D782 PolarHBondContact NZ-OD2 3.34Å; C778-D782 PolarHBondContact O-N 3.08Å; D782-N784 VanDerWaalsContact C-N 3.26Å; D782-N784 PolarHBondContact O-N 2.58Å; D782-A785 PolarHBondContact O-N 3.27Å
783	M	40.2	Very low	50.6	Low	124 Å²	124	82.2 Å²	82.2	61%	0.611	48%	0.477	S	S	*	.	H	α-helix	trans	-74.5	-11.7	-178.4	-75.1	-169	-72.9	0	0	114.3	S779 I780 A781	S779-M783 WeakPolarHBondContact O-CE 3.37Å; I780-M783 PolarHBondContact O-N 3.4Å; A781-M783 VanDerWaalsContact C-N 3.33Å; A781-M783 PolarHBondContact O-N 3.17Å
784	N	38.6	Very low	48.4	Very low	135 Å²	135	79 Å²	79	72%	0.722	47%	0.473	S	S	*	.	H	α-helix	trans	-98.2	-3.5	171.5	-69	-53.9	0	0	0	112.4	I780 A781 D782	I780-N784 PolarHBondContact O-N 2.97Å; I780-N784 PolarHBondContact O-ND2 3.35Å; A781-N784 PolarHBondContact O-N 3.2Å; A781-N784 VanDerWaalsContact O-N 3.08Å; D782-N784 VanDerWaalsContact C-N 3.26Å; D782-N784 PolarHBondContact O-N 2.58Å
785	A	40.6	Very low	46.5	Very low	89 Å²	89	84.7 Å²	84.7	74%	0.736	51%	0.506	S	S	*	.			trans	-103.8	1.5	178.5	0	0	0	0	0	113.4	A781 D782	A781-A785 PolarHBondContact O-N 3.36Å; D782-A785 PolarHBondContact O-N 3.27Å
786	T	35.8	Very low	45.1	Very low	172 Å²	172	90.8 Å²	90.8	100%	1.055	54%	0.544	S	S	*	.			trans	-118.6	0	177.4	58.3	0	0	0	0	111.8

Retrieved 786 of 786 residues in 561.8 ms (Link to these results)

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