A0A3Q0KMA3_SCHMA Loading...

Phosphodiesterase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	46.2	Very low	36.2	Very low	249 Å²	249	158 Å²	158	100%	1.227	82%	0.819	S	S	*	*				0	124.8	0	-79.9	173.2	166.5	0	0	106.9
2	E	29.7	Very low	36.3	Very low	186 Å²	186	156.4 Å²	156.4	87%	0.869	81%	0.812	S	S	*	*			trans	-88.5	-177.7	-179.3	-65.1	178.3	103.9	0	0	112.6
3	L	34.7	Very low	36.4	Very low	157 Å²	157	154.3 Å²	154.3	82%	0.822	80%	0.803	S	S	*	*			trans	103.4	102	166.2	-54.9	167.4	0	0	0	112.9
4	R	33.1	Very low	36.3	Very low	228 Å²	228	151 Å²	151	86%	0.86	79%	0.793	S	S	*	*				52.3	124.7	68.4	-66.8	-174.3	166.3	168	-2.4	111.5
5	T	38.3	Very low	36.1	Very low	116 Å²	116	151.5 Å²	151.5	71%	0.712	79%	0.794	S	S	*	*				-172.6	147.8	65	38.3	0	0	0	0	114.9
6	D	36.5	Very low	36	Very low	137 Å²	137	148.4 Å²	148.4	73%	0.733	79%	0.79	S	S	*	*			trans	66.6	112.1	135	-59	-35.5	0	0	0	126.7
7	K	34.6	Very low	36	Very low	179 Å²	179	145.9 Å²	145.9	78%	0.778	79%	0.786	S	S	*	*				33.6	132.2	121.5	-74.5	-179.4	172	177.4	0	122.6
8	V	38.8	Very low	35.7	Very low	150 Å²	150	144.6 Å²	144.6	91%	0.909	79%	0.79	S	S	*	*			trans	-142.9	158.3	130.2	179.9	0	0	0	0	110.2
9	I	33.8	Very low	35.7	Very low	136 Å²	136	147.3 Å²	147.3	70%	0.697	80%	0.797	S	S	*	*			trans	-120.7	145.4	-167.9	-65.7	158.3	0	0	0	112.1
10	S	37.6	Very low	35.5	Very low	110 Å²	110	149.1 Å²	149.1	77%	0.769	80%	0.8	S	S	*	*			trans	-177.1	110.3	146.1	-163.5	0	0	0	0	109.2
11	S	35.3	Very low	35.2	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	80%	0.798	S	S	*	*				70.9	102.1	69	-59	0	0	0	0	115.2
12	N	37.4	Very low	34.6	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	78%	0.781	S	S	*	*				177.8	152.5	106.9	-111.7	33.3	0	0	0	116.8
13	D	36.8	Very low	34.6	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	78%	0.781	S	S	*	*			trans	84.7	94.1	145.4	-63.4	-36.8	0	0	0	125.2
14	T	34.9	Very low	34.4	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.663	78%	0.778	S	S	*	*				96.3	98.2	105	-63.4	0	0	0	0	122.7
15	I	34	Very low	34.4	Very low	158 Å²	158	135.9 Å²	135.9	81%	0.81	77%	0.772	S	S	*	*			trans	61.5	116.4	132.8	-55	175.6	0	0	0	121.1
16	S	35.2	Very low	33.9	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	78%	0.782	S	S	*	*				-174.7	141.5	110.2	-173.4	0	0	0	0	116
17	S	36	Very low	33.6	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	78%	0.784	S	S	*	*			trans	60.1	91.9	150.3	51	0	0	0	0	121.7
18	S	30.4	Very low	33.4	Very low	123 Å²	123	136.6 Å²	136.6	86%	0.86	78%	0.778	S	S	*	*			trans	-30.5	139.2	152.7	-39	0	0	0	0	119.7
19	Q	34.4	Very low	33	Very low	196 Å²	196	133.8 Å²	133.8	92%	0.916	77%	0.771	S	S	*	*				-150.1	148.8	128.5	-114.2	177.4	-1.9	0	0	110.2
20	E	32.5	Very low	32.7	Very low	182 Å²	182	133 Å²	133	85%	0.85	77%	0.772	S	S	*	*			trans	-76.1	146.7	-164.7	-62.6	172	117.7	0	0	114.4	Q22	E20-Q22 PolarHBondContact O-N 3.44Å
21	P	29.5	Very low	32.3	Very low	119 Å²	119	133.7 Å²	133.7	77%	0.773	77%	0.771	S	S	*	*			trans	-83.8	107.7	169.4	32.9	-30.3	0	0	0	110.6	L23	P21-L23 PolarHBondContact O-N 3.43Å
22	Q	33.3	Very low	32	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-72.6	122.8	165.1	-77.8	-148.3	-5.1	0	0	110.6	E20 S24	E20-Q22 PolarHBondContact O-N 3.44Å; Q22-S24 PolarHBondContact O-N 3.38Å; Q22-S24 VanDerWaalsContact O-N 3.17Å
23	L	29.9	Very low	31.6	Very low	167 Å²	167	136 Å²	136	87%	0.874	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.8	116.7	171.6	-75.4	74	0	0	0	109.7	P21	P21-L23 PolarHBondContact O-N 3.43Å
24	S	30.7	Very low	31.3	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-90	141.5	159.1	-68.4	0	0	0	0	109.2	Q22	Q22-S24 PolarHBondContact O-N 3.38Å; Q22-S24 VanDerWaalsContact O-N 3.17Å
25	P	32.2	Very low	31	Very low	113 Å²	113	148 Å²	148	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.3	147.1	-169	-13.1	28.4	0	0	0	111.4	I27	P25-I27 PolarHBondContact O-N 2.83Å
26	Q	29	Very low	30.8	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	79%	0.791	S	S	*	*			trans	-59.4	106	160.2	-74.2	-172.7	-8.8	0	0	108.6	P28	Q26-P28 VanDerWaalsContact O-CD 3.32Å; Q26-P28 WeakPolarHBondContact O-CD 3.34Å
27	I	30.6	Very low	30.5	Very low	151 Å²	151	142.7 Å²	142.7	77%	0.774	79%	0.785	S	S	*	*			trans	-76	113.3	163.3	-59.2	177	0	0	0	105.2	P25 A29	P25-I27 PolarHBondContact O-N 2.83Å; I27-A29 PolarHBondContact O-N 3.05Å
28	P	30	Very low	30.5	Very low	101 Å²	101	143 Å²	143	66%	0.656	78%	0.776	S	S	*	*			trans	-62.4	133.5	172.3	27.8	-32.9	0	0	0	107.5	Q26 V30	Q26-P28 VanDerWaalsContact O-CD 3.32Å; Q26-P28 WeakPolarHBondContact O-CD 3.34Å; P28-V30 VanDerWaalsContact C-N 3.34Å; P28-V30 PolarHBondContact O-N 3.28Å
29	A	29.9	Very low	30.5	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	77%	0.771	S	S	*	*			trans	-58.6	98.7	175.8	0	0	0	0	0	109.2	I27 V31	I27-A29 PolarHBondContact O-N 3.05Å; A29-V31 PolarHBondContact O-N 2.83Å
30	V	28.5	Very low	30.6	Very low	119 Å²	119	139.1 Å²	139.1	72%	0.721	75%	0.747	S	S	*	*			trans	-73.3	85.4	172.2	-179.9	0	0	0	0	106.3	P28 K32	P28-V30 VanDerWaalsContact C-N 3.34Å; P28-V30 PolarHBondContact O-N 3.28Å; V30-K32 PolarHBondContact O-N 3.42Å
31	V	29.2	Very low	30.6	Very low	125 Å²	125	135.4 Å²	135.4	76%	0.758	74%	0.742	S	S	*	*			trans	-56.7	92.9	162.8	179	0	0	0	0	106.2	A29 P33	A29-V31 PolarHBondContact O-N 2.83Å; V31-P33 WeakPolarHBondContact O-CD 3.47Å; V31-P33 VanDerWaalsContact O-N 3.1Å
32	K	28.9	Very low	30.9	Very low	179 Å²	179	133.5 Å²	133.5	78%	0.778	74%	0.736	S	S	*	*			trans	-59.1	115.4	169	-81.3	178.8	177.8	170.7	0	105.6	V30 R34	V30-K32 PolarHBondContact O-N 3.42Å; K32-R34 PolarHBondContact O-N 2.87Å
33	P	29.1	Very low	30.7	Very low	98 Å²	98	133.7 Å²	133.7	64%	0.636	74%	0.742	S	S	*	*			trans	-60.6	131.2	171.7	26.4	-32.5	0	0	0	107	V31 R35	V31-P33 WeakPolarHBondContact O-CD 3.47Å; V31-P33 VanDerWaalsContact O-N 3.1Å; P33-R35 PolarHBondContact O-N 3.33Å
34	R	29.2	Very low	30.5	Very low	246 Å²	246	130.2 Å²	130.2	93%	0.928	74%	0.737	S	S	*	*			trans	-59.2	89	165.3	-88.7	-177	168.1	172.1	-1.3	107.6	K32 G36	K32-R34 PolarHBondContact O-N 2.87Å; R34-G36 PolarHBondContact O-N 3.27Å
35	R	28.6	Very low	30.5	Very low	243 Å²	243	129.5 Å²	129.5	92%	0.917	74%	0.738	S	S	*	*			trans	-73	70.3	171.6	-88.6	-172.2	166.6	-171.9	-3.3	108.9	P33	P33-R35 PolarHBondContact O-N 3.33Å
36	G	29.9	Very low	30.4	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	75%	0.747	S	S	*	*			trans	-124.2	16.1	174.4	0	0	0	0	0	112.7	R34 I38	R34-G36 PolarHBondContact O-N 3.27Å; G36-I38 PolarHBondContact O-N 2.88Å
37	S	29.3	Very low	30.3	Very low	84 Å²	84	132.6 Å²	132.6	59%	0.587	74%	0.742	S	S	*	*			trans	-88.4	93.9	171.8	-174.7	0	0	0	0	109.6	F39	S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 3.41Å
38	I	35.9	Very low	30.5	Very low	110 Å²	110	134.1 Å²	134.1	56%	0.564	75%	0.746	S	S	*	*			trans	-70.1	97.6	160.2	-61.8	176.8	0	0	0	106.2	G36 V40	G36-I38 PolarHBondContact O-N 2.88Å; I38-V40 PolarHBondContact O-N 3.07Å
39	F	30.7	Very low	30.4	Very low	168 Å²	168	133 Å²	133	74%	0.737	75%	0.752	S	S	*	*			trans	-62.9	101.2	169	-102.6	-90.9	0	0	0	108.6	S37 S41	S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 3.41Å; F39-S41 PolarHBondContact O-N 2.92Å
40	V	35.5	Very low	30.4	Very low	71 Å²	71	133.1 Å²	133.1	43%	0.43	75%	0.753	S	S	.	*			trans	-72.8	89.5	159.6	-179.7	0	0	0	0	106.1	I38 A42 A105	I38-V40 PolarHBondContact O-N 3.07Å; V40-A42 PolarHBondContact O-N 3.31Å; V40-A105 HydrophobicContact CG1-CB 3.86Å
41	S	32.5	Very low	30.4	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	76%	0.756	S	S	*	*			trans	-66	86.6	167.6	-64.2	0	0	0	0	108.8	F39 L43	F39-S41 PolarHBondContact O-N 2.92Å; S41-L43 PolarHBondContact O-N 3.24Å
42	A	35.4	Very low	30.4	Very low	78 Å²	78	132.3 Å²	132.3	65%	0.645	76%	0.759	S	S	*	*			trans	-59.6	132.7	169.7	0	0	0	0	0	109	V40 A44	V40-A42 PolarHBondContact O-N 3.31Å; A42-A44 PolarHBondContact O-N 3.05Å
43	L	29.1	Very low	30.4	Very low	188 Å²	188	132 Å²	132	98%	0.984	77%	0.765	S	S	*	*	S	Bend	trans	-65.5	94.2	179.8	-82.4	146.3	0	0	0	110.4	S41	S41-L43 PolarHBondContact O-N 3.24Å
44	A	27.5	Very low	30.4	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	78%	0.775	S	S	*	*			trans	-141	47.2	-179.4	0	0	0	0	0	112.4	A42	A42-A44 PolarHBondContact O-N 3.05Å
45	A	29.6	Very low	30.3	Very low	95 Å²	95	127.7 Å²	127.7	79%	0.785	77%	0.769	S	S	*	*			trans	-160.2	102.9	167.8	0	0	0	0	0	111.9
46	E	29.4	Very low	30.4	Very low	199 Å²	199	123.6 Å²	123.6	93%	0.93	77%	0.765	S	S	*	*			trans	-163.2	79.4	148.6	-120.6	176.1	-159.9	0	0	112.4
47	Q	28	Very low	30.2	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.813	78%	0.776	S	S	*	*			trans	-134.2	143.6	142.3	-75.8	-160.9	-6.8	0	0	108.2
48	H	33.4	Very low	30.3	Very low	182 Å²	182	130.2 Å²	130.2	84%	0.843	78%	0.783	S	S	*	*			trans	80.6	86	-177.9	-49	-67.2	0	0	0	118
49	G	28	Very low	29.9	Very low	77 Å²	77	129 Å²	129	79%	0.794	80%	0.797	S	S	*	*				89.5	111.6	99	0	0	0	0	0	120.1
50	A	30.1	Very low	29.8	Very low	94 Å²	94	125.6 Å²	125.6	78%	0.777	80%	0.795	S	S	*	*			trans	76.1	105.1	144.6	0	0	0	0	0	121.1
51	S	28.4	Very low	29.7	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	82%	0.819	S	S	*	*			trans	51.7	112.7	133.4	62	0	0	0	0	121.2
52	S	31	Very low	29.9	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	81%	0.805	S	S	*	*				169.9	165.3	101.3	49.8	0	0	0	0	112.2
53	L	27.1	Very low	30	Very low	173 Å²	173	131.7 Å²	131.7	91%	0.906	80%	0.804	S	S	*	*			trans	-72.8	135.8	-173.9	-73.4	66.9	0	0	0	112.8
54	S	30	Very low	30	Very low	121 Å²	121	133.9 Å²	133.9	85%	0.846	80%	0.8	S	S	*	*			trans	-155.4	147.2	133	56.4	0	0	0	0	111.5
55	T	27.4	Very low	30.3	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	80%	0.795	S	S	*	*			trans	-74.5	133.7	178.9	46.1	0	0	0	0	111.6
56	D	30.6	Very low	30.4	Very low	156 Å²	156	134.6 Å²	134.6	83%	0.834	79%	0.794	S	S	*	*			trans	-147.2	124.2	147.3	-110.7	-34.4	0	0	0	111.7
57	N	26.5	Very low	30.4	Very low	170 Å²	170	136.9 Å²	136.9	91%	0.909	79%	0.794	S	S	*	*			trans	-112	70.6	-170.2	-166.1	26.1	0	0	0	109.3
58	T	30.7	Very low	30.7	Very low	121 Å²	121	134.1 Å²	134.1	74%	0.742	79%	0.794	S	S	*	*			trans	-110.3	124.9	179.1	45.2	0	0	0	0	111	S60	T58-S60 PolarHBondContact O-N 2.98Å
59	G	26.6	Very low	30.5	Very low	83 Å²	83	131 Å²	131	86%	0.856	79%	0.792	S	S	*	*			trans	-74.4	118.9	-163.9	0	0	0	0	0	114.4
60	S	30.2	Very low	30.9	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	79%	0.793	S	S	*	*			trans	-85.2	116.1	160.4	-177.8	0	0	0	0	109.7	T58 I62	T58-S60 PolarHBondContact O-N 2.98Å; S60-I62 PolarHBondContact O-N 3.04Å
61	M	31.5	Very low	30.9	Very low	191 Å²	191	133.3 Å²	133.3	94%	0.941	80%	0.799	S	S	*	*			trans	-76.1	73.9	173.6	-78.7	-163.7	-83.7	0	0	111.1
62	I	38	Very low	31	Very low	86 Å²	86	132 Å²	132	44%	0.441	80%	0.803	S	S	.	*			trans	-111	106.6	162.1	-61.5	178.7	0	0	0	107.4	S60 R64	S60-I62 PolarHBondContact O-N 3.04Å; I62-R64 PolarHBondContact O-N 3.22Å; I62-R64 VanDerWaalsContact O-N 3.16Å
63	V	37.2	Very low	30.9	Very low	103 Å²	103	130.9 Å²	130.9	62%	0.624	80%	0.8	S	S	*	*			trans	-66.5	111	-175.6	178.3	0	0	0	0	110	L65	V63-L65 PolarHBondContact O-N 3.09Å
64	R	29.8	Very low	31.2	Very low	234 Å²	234	129.8 Å²	129.8	88%	0.883	80%	0.801	S	S	*	*			trans	-75.3	109.4	165.5	-78.7	-174.6	170.3	107.6	-4.7	109.3	I62	I62-R64 PolarHBondContact O-N 3.22Å; I62-R64 VanDerWaalsContact O-N 3.16Å
65	L	32.2	Very low	31.2	Very low	131 Å²	131	128.9 Å²	128.9	69%	0.686	80%	0.801	S	S	*	*			trans	-90.1	133	168.7	-157.8	74.6	0	0	0	109.4	V63	V63-L65 PolarHBondContact O-N 3.09Å
66	G	31.5	Very low	31.6	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	80%	0.801	S	S	*	*			trans	120.1	71.1	172.8	0	0	0	0	0	115.9
67	R	29.7	Very low	31.6	Very low	248 Å²	248	126.4 Å²	126.4	94%	0.936	80%	0.802	S	S	*	*			trans	-120.2	77.7	162.3	-168.1	179.4	179.4	-169.7	-1	110.1	S69	R67-S69 PolarHBondContact O-N 2.75Å
68	S	35	Very low	32	Very low	115 Å²	115	124 Å²	124	80%	0.804	80%	0.799	S	S	*	*			trans	-65.3	121	174.3	-61.1	0	0	0	0	110.7
69	S	28.8	Very low	32	Very low	116 Å²	116	124.3 Å²	124.3	81%	0.811	80%	0.8	S	S	*	*			trans	-95.9	90.1	-179.9	57.5	0	0	0	0	111.7	R67	R67-S69 PolarHBondContact O-N 2.75Å
70	T	36.2	Very low	32.4	Very low	134 Å²	134	125.2 Å²	125.2	82%	0.822	79%	0.794	S	S	*	*			trans	-137.6	122.5	163.4	48.7	0	0	0	0	108.6
71	G	29.8	Very low	32.5	Very low	86 Å²	86	125.8 Å²	125.8	89%	0.887	80%	0.798	S	S	*	*			trans	-93.1	-165.8	-170	0	0	0	0	0	114.8
72	G	30.6	Very low	32.6	Very low	84 Å²	84	121.6 Å²	121.6	87%	0.866	79%	0.787	S	S	*	*			trans	120.9	113.3	176.3	0	0	0	0	0	111.8
73	A	29.2	Very low	32.2	Very low	93 Å²	93	122.5 Å²	122.5	77%	0.769	80%	0.801	S	S	*	*			trans	-85.9	151.5	-179.8	0	0	0	0	0	112
74	T	34.2	Very low	32.1	Very low	151 Å²	151	123.8 Å²	123.8	93%	0.926	81%	0.809	S	S	*	*				178	156	119.9	29	0	0	0	0	110.6
75	A	30	Very low	32.2	Very low	102 Å²	102	120.4 Å²	120.4	84%	0.843	81%	0.809	S	S	*	*			trans	-124	144.6	-176.3	0	0	0	0	0	111.1
76	A	34.8	Very low	32	Very low	98 Å²	98	117.2 Å²	117.2	81%	0.81	81%	0.808	S	S	*	*			trans	-167.7	102.9	153.6	0	0	0	0	0	113.1
77	T	31.1	Very low	31.9	Very low	137 Å²	137	122.5 Å²	122.5	84%	0.84	82%	0.816	S	S	*	*			trans	1	131.5	140.5	-36.9	0	0	0	0	119.9
78	S	34.9	Very low	31.9	Very low	121 Å²	121	116 Å²	116	85%	0.846	80%	0.804	S	S	*	*				-171.3	154.5	125.3	35.3	0	0	0	0	113.3
79	T	31.9	Very low	31.7	Very low	126 Å²	126	115.5 Å²	115.5	77%	0.773	81%	0.808	S	S	*	*			trans	-112.1	155.6	-166.5	41.4	0	0	0	0	113
80	S	34.3	Very low	31.7	Very low	103 Å²	103	115.8 Å²	115.8	72%	0.72	80%	0.804	S	S	*	*				145.9	145.7	115.3	61.1	0	0	0	0	116.7
81	S	32.8	Very low	31.6	Very low	110 Å²	110	116.6 Å²	116.6	77%	0.769	80%	0.803	S	S	*	*			trans	61.3	146.5	156.8	46.4	0	0	0	0	120.5
82	S	32.7	Very low	31.7	Very low	102 Å²	102	116.8 Å²	116.8	71%	0.713	79%	0.788	S	S	*	*			cis	-167.2	144.7	-10.4	48.2	0	0	0	0	111.9
83	S	30.3	Very low	31.5	Very low	105 Å²	105	120.6 Å²	120.6	73%	0.734	79%	0.789	S	S	*	*			trans	37.9	128.3	147.9	60.4	0	0	0	0	121.9
84	T	35.4	Very low	31.6	Very low	131 Å²	131	121.6 Å²	121.6	80%	0.804	79%	0.79	S	S	*	*				-169	143.8	105.4	-67	0	0	0	0	111.7
85	N	31	Very low	31.4	Very low	163 Å²	163	118.8 Å²	118.8	87%	0.872	78%	0.776	S	S	*	*			trans	-41.6	138.8	-178	-51.3	-31.6	0	0	0	118.1
86	G	29	Very low	31.9	Very low	64 Å²	64	118.8 Å²	118.8	66%	0.66	77%	0.766	S	S	*	*			trans	-172.5	121	162.6	0	0	0	0	0	111.1	T88	G86-T88 PolarHBondContact O-N 3.01Å; G86-T88 VanDerWaalsContact O-N 3.12Å
87	I	28	Very low	31.8	Very low	183 Å²	183	124 Å²	124	94%	0.938	77%	0.774	S	S	*	*			trans	-81.4	93.4	-178.4	-57.7	173.3	0	0	0	108.9
88	T	29.1	Very low	32.3	Very low	111 Å²	111	119.7 Å²	119.7	68%	0.681	76%	0.756	S	S	*	*			trans	-123.4	122.5	170.6	48	0	0	0	0	109.6	G86 V90	G86-T88 PolarHBondContact O-N 3.01Å; G86-T88 VanDerWaalsContact O-N 3.12Å; T88-V90 PolarHBondContact O-N 3.34Å
89	A	31.3	Very low	33.3	Very low	106 Å²	106	117.8 Å²	117.8	88%	0.876	74%	0.739	S	S	*	*			trans	-70	93.6	174.2	0	0	0	0	0	109.8	L91	A89-L91 PolarHBondContact O-N 3.07Å; A89-L91 VanDerWaalsContact O-N 3.14Å
90	V	29.8	Very low	34.3	Very low	122 Å²	122	114.9 Å²	114.9	74%	0.739	72%	0.719	S	S	*	*			trans	-73.6	100.9	176.9	179.2	0	0	0	0	108.9	T88	T88-V90 PolarHBondContact O-N 3.34Å
91	L	33.6	Very low	35.9	Very low	150 Å²	150	112.3 Å²	112.3	79%	0.785	70%	0.698	S	S	*	*			trans	-64.8	141.7	153.3	-76.4	165.6	0	0	0	108.1	A89 D93	A89-L91 PolarHBondContact O-N 3.07Å; A89-L91 VanDerWaalsContact O-N 3.14Å; L91-D93 PolarHBondContact O-N 2.73Å
92	P	31	Very low	38	Very low	91 Å²	91	107.9 Å²	107.9	59%	0.591	67%	0.667	S	S	*	*			trans	-72.9	90.4	-172.3	29	-35.3	0	0	0	111.9	S94	P92-S94 PolarHBondContact O-N 3.13Å
93	D	28.2	Very low	40.2	Very low	164 Å²	164	104.6 Å²	104.6	88%	0.877	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	60.7	178.8	-162.9	29.1	0	0	0	111.8	L91	L91-D93 PolarHBondContact O-N 2.73Å
94	S	29.8	Very low	42.6	Very low	113 Å²	113	100.1 Å²	100.1	79%	0.79	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.7	13	173.9	81.6	0	0	0	0	118.6	P92	P92-S94 PolarHBondContact O-N 3.13Å
95	S	30.7	Very low	44.7	Very low	92 Å²	92	94.3 Å²	94.3	64%	0.643	58%	0.576	S	S	*	*	S	Bend	trans	-146.4	7.6	-168.4	65.6	0	0	0	0	119.9	E97	S95-E97 VanDerWaalsContact C-N 3.34Å
96	V	39.7	Very low	47.3	Very low	103 Å²	103	91.1 Å²	91.1	62%	0.624	56%	0.555	S	S	*	*			trans	-94.5	9	176.7	-155.7	0	0	0	0	112.9	G98 V99	V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 2.94Å; V96-V99 HydrophobicContact CG1-CB 4.31Å; V96-V99 HydrophobicContact CG1-CG2 4.24Å; V96-V99 PolarHBondContact O-N 3.49Å
97	E	33	Very low	49.9	Very low	207 Å²	207	91.3 Å²	91.3	97%	0.967	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	74.3	-179.4	-159.5	142.3	-138.7	0	0	110.9	S95	S95-E97 VanDerWaalsContact C-N 3.34Å
98	G	42.5	Very low	52.6	Low	46 Å²	46	83.2 Å²	83.2	47%	0.474	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	160.3	-5.2	-177.8	0	0	0	0	0	116.1	V96	V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 2.94Å
99	V	54.8	Low	55.2	Low	81 Å²	81	81.2 Å²	81.2	49%	0.491	49%	0.489	S	S	.	.			trans	-92.9	119.8	172.5	-175.7	0	0	0	0	109.2	V96 V101	V96-V99 HydrophobicContact CG1-CB 4.31Å; V96-V99 HydrophobicContact CG1-CG2 4.24Å; V96-V99 PolarHBondContact O-N 3.49Å; V99-V101 VanDerWaalsContact C-N 3.31Å; V99-V101 HydrophobicContact CB-CG2 4.43Å; V99-V101 HydrophobicContact CG1-CG2 4.12Å; V99-V101 PolarHBondContact O-N 3Å
100	I	53.3	Low	57.9	Low	66 Å²	66	78.9 Å²	78.9	34%	0.338	47%	0.467	S	S	.	.			trans	-75.5	88.3	173.7	-51.6	173.9	0	0	0	108.9	F186 L189	I100-F186 HydrophobicContact CB-CE1 4.45Å; I100-F186 HydrophobicContact CG2-CD1 4.39Å; I100-F186 HydrophobicContact CG2-CE1 3.65Å; I100-F186 HydrophobicContact CG2-CZ 4.39Å; I100-L189 HydrophobicContact CG2-CD1 4.48Å
101	V	68.2	Low	60.7	Low	48 Å²	48	76 Å²	76	29%	0.291	45%	0.446	S	S	.	.			trans	-74.4	135	173.1	-171.9	0	0	0	0	109.2	V99 A105 Q106 K185	V99-V101 VanDerWaalsContact C-N 3.31Å; V99-V101 HydrophobicContact CB-CG2 4.43Å; V99-V101 HydrophobicContact CG1-CG2 4.12Å; V99-V101 PolarHBondContact O-N 3Å; V101-A105 HydrophobicContact CG1-CB 3.7Å; V101-Q106 HydrophobicContact CB-CG 3.81Å; V101-Q106 HydrophobicContact CG1-CG 3.64Å; V101-K185 PolarHBondContact O-NZ 3.14Å
102	T	77.2	Confident	63.2	Low	18 Å²	18	72.8 Å²	72.8	11%	0.11	43%	0.427	C	S	.	.			trans	-61.2	146.4	174.5	61.1	0	0	0	0	109.9	F104 A105 Q106 A182	T102-F104 PolarHBondContact O-N 3.45Å; T102-A105 PolarHBondContact O-N 3.1Å; T102-A105 VanDerWaalsContact O-N 3.14Å; T102-A105 VanDerWaalsContact OG1-CB 3.32Å; T102-A105 WeakPolarHBondContact OG1-CB 3.16Å; T102-A105 PolarHBondContact OG1-N 3.25Å; T102-Q106 WeakPolarHBondContact O-CG 3.41Å; T102-Q106 PolarHBondContact O-N 3.44Å; T102-Q106 VanDerWaalsContact O-N 3.08Å; T102-A182 HydrophobicContact CG2-CB 3.96Å
103	P	78.2	Confident	65.9	Low	33 Å²	33	76.8 Å²	76.8	21%	0.214	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-35.3	-174.9	23.9	-28.6	0	0	0	111.5	A105 Q106 V107 M181 K185	P103-A105 PolarHBondContact O-N 2.99Å; P103-Q106 WeakPolarHBondContact O-CB 3.36Å; P103-Q106 PolarHBondContact O-N 3.35Å; P103-Q106 VanDerWaalsContact O-N 3.15Å; P103-V107 WeakPolarHBondContact O-CG2 3.13Å; P103-V107 PolarHBondContact O-N 3.05Å; P103-M181 HydrophobicContact CG-CB 3.98Å; P103-M181 VanDerWaalsContact CG-O 3.3Å; P103-M181 WeakPolarHBondContact CG-O 3.36Å; P103-K185 HydrophobicContact CB-CD 4.14Å; P103-K185 HydrophobicContact CG-CB 4.14Å; P103-K185 HydrophobicContact CG-CD 3.98Å
104	F	80.1	Confident	68.9	Low	11 Å²	11	72.8 Å²	72.8	5%	0.048	41%	0.408	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.6	-162.6	-105	0	0	0	113.1	T102 Q106 V107 L108 L169 Q173 V178 M181	T102-F104 PolarHBondContact O-N 3.45Å; F104-Q106 VanDerWaalsContact C-N 3.31Å; F104-Q106 PolarHBondContact O-N 3.08Å; F104-V107 PolarHBondContact O-N 3.35Å; F104-L108 HydrophobicContact CD1-CD1 3.72Å; F104-L108 HydrophobicContact CD1-CG 4.2Å; F104-L108 HydrophobicContact CE1-CD1 3.65Å; F104-L108 HydrophobicContact CE1-CD2 4.38Å; F104-L108 HydrophobicContact CE1-CG 4.02Å; F104-L108 WeakPolarHBondContact O-CG 3.45Å; F104-L108 PolarHBondContact O-N 2.85Å; F104-L169 WeakPolarHBondContact CE1-O 3.45Å; F104-L169 HydrophobicContact CE2-CD2 3.82Å; F104-L169 HydrophobicContact CZ-CB 3.95Å; F104-L169 HydrophobicContact CZ-CD2 3.87Å; F104-L169 WeakPolarHBondContact CZ-O 3.5Å; F104-Q173 HydrophobicContact CD1-CG 4.23Å; F104-Q173 HydrophobicContact CE1-CG 3.69Å; F104-V178 HydrophobicContact CB-CG1 3.83Å; F104-V178 HydrophobicContact CD1-CG1 3.78Å; F104-V178 HydrophobicContact CD1-CG2 3.91Å; F104-V178 HydrophobicContact CD2-CG2 4Å; F104-V178 HydrophobicContact CE1-CG2 3.98Å; F104-V178 HydrophobicContact CE2-CG2 4.07Å; F104-V178 HydrophobicContact CG-CB 4.47Å; F104-V178 HydrophobicContact CG-CG1 3.83Å; F104-V178 HydrophobicContact CG-CG2 3.92Å; F104-V178 HydrophobicContact CZ-CG2 4.05Å; F104-M181 HydrophobicContact CB-SD 4.4Å; F104-M181 HydrophobicContact CD2-CE 4.43Å; F104-M181 HydrophobicContact CD2-SD 3.82Å
105	A	81.1	Confident	71.8	Confident	9 Å²	9	70.1 Å²	70.1	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-32.4	175.1	0	0	0	0	0	112.3	V40 V101 T102 P103 V109	V40-A105 HydrophobicContact CG1-CB 3.86Å; V101-A105 HydrophobicContact CG1-CB 3.7Å; T102-A105 PolarHBondContact O-N 3.1Å; T102-A105 VanDerWaalsContact O-N 3.14Å; T102-A105 VanDerWaalsContact OG1-CB 3.32Å; T102-A105 WeakPolarHBondContact OG1-CB 3.16Å; T102-A105 PolarHBondContact OG1-N 3.25Å; P103-A105 PolarHBondContact O-N 2.99Å; A105-V109 WeakPolarHBondContact O-CB 2.9Å; A105-V109 WeakPolarHBondContact O-CG2 3.5Å; A105-V109 PolarHBondContact O-N 3.15Å
106	Q	83.6	Confident	74.6	Confident	96 Å²	96	69.2 Å²	69.2	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-40.7	171.5	-63	-178	-59.9	0	0	111.8	V101 T102 P103 F104 S110	V101-Q106 HydrophobicContact CB-CG 3.81Å; V101-Q106 HydrophobicContact CG1-CG 3.64Å; T102-Q106 WeakPolarHBondContact O-CG 3.41Å; T102-Q106 PolarHBondContact O-N 3.44Å; T102-Q106 VanDerWaalsContact O-N 3.08Å; P103-Q106 WeakPolarHBondContact O-CB 3.36Å; P103-Q106 PolarHBondContact O-N 3.35Å; P103-Q106 VanDerWaalsContact O-N 3.15Å; F104-Q106 VanDerWaalsContact C-N 3.31Å; F104-Q106 PolarHBondContact O-N 3.08Å; Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 3.15Å
107	V	85	Confident	77	Confident	68 Å²	68	65.8 Å²	65.8	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-48.1	174.4	171.5	0	0	0	0	111	P103 F104 V109 S110 M111	P103-V107 WeakPolarHBondContact O-CG2 3.13Å; P103-V107 PolarHBondContact O-N 3.05Å; F104-V107 PolarHBondContact O-N 3.35Å; V107-V109 PolarHBondContact O-N 3.07Å; V107-S110 WeakPolarHBondContact O-CB 3.44Å; V107-S110 PolarHBondContact O-N 3.31Å; V107-S110 VanDerWaalsContact O-N 3.14Å; V107-M111 HydrophobicContact CG1-CG 4.34Å; V107-M111 WeakPolarHBondContact O-CG 3.41Å; V107-M111 PolarHBondContact O-N 3.36Å
108	L	83.8	Confident	79.8	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-49.3	176.8	-75.4	170.3	0	0	0	112.3	F104 S110 M111 Q112 L169 E170 Q173	F104-L108 HydrophobicContact CD1-CD1 3.72Å; F104-L108 HydrophobicContact CD1-CG 4.2Å; F104-L108 HydrophobicContact CE1-CD1 3.65Å; F104-L108 HydrophobicContact CE1-CD2 4.38Å; F104-L108 HydrophobicContact CE1-CG 4.02Å; F104-L108 WeakPolarHBondContact O-CG 3.45Å; F104-L108 PolarHBondContact O-N 2.85Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 3.16Å; L108-M111 PolarHBondContact O-N 2.67Å; L108-Q112 WeakPolarHBondContact O-CB 3.5Å; L108-Q112 WeakPolarHBondContact O-CG 3.36Å; L108-Q112 PolarHBondContact O-N 3.29Å; L108-L169 HydrophobicContact CD2-CB 3.71Å; L108-E170 HydrophobicContact CD2-CG 4.23Å; L108-Q173 HydrophobicContact CD1-CG 4.15Å; L108-Q173 VanDerWaalsContact CD1-NE2 3.29Å
109	V	84.7	Confident	82	Confident	68 Å²	68	58 Å²	58	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-36.5	176.9	170.1	0	0	0	0	111.3	A105 V107 R113	A105-V109 WeakPolarHBondContact O-CB 2.9Å; A105-V109 WeakPolarHBondContact O-CG2 3.5Å; A105-V109 PolarHBondContact O-N 3.15Å; V107-V109 PolarHBondContact O-N 3.07Å; V109-R113 WeakPolarHBondContact O-CB 3.26Å; V109-R113 VanDerWaalsContact O-CG 3.24Å; V109-R113 WeakPolarHBondContact O-CG 3.37Å; V109-R113 PolarHBondContact O-N 2.92Å
110	S	87.5	Confident	83.6	Confident	57 Å²	57	63 Å²	63	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-46.8	174.6	-162.9	0	0	0	0	111.9	Q106 V107 L108 Q112 R113 I114	Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 3.15Å; V107-S110 WeakPolarHBondContact O-CB 3.44Å; V107-S110 PolarHBondContact O-N 3.31Å; V107-S110 VanDerWaalsContact O-N 3.14Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 3.16Å; S110-Q112 PolarHBondContact O-N 2.8Å; S110-R113 WeakPolarHBondContact O-CB 3.4Å; S110-R113 PolarHBondContact O-N 2.99Å; S110-R113 VanDerWaalsContact O-N 3.14Å; S110-I114 WeakPolarHBondContact O-CG1 3.48Å; S110-I114 PolarHBondContact O-N 2.9Å
111	M	88.6	Confident	85.3	Confident	63 Å²	63	66.5 Å²	66.5	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-39.2	178.2	-70.2	-64.4	140.4	0	0	112.3	V107 L108 R113 I114 R115 L166	V107-M111 HydrophobicContact CG1-CG 4.34Å; V107-M111 WeakPolarHBondContact O-CG 3.41Å; V107-M111 PolarHBondContact O-N 3.36Å; L108-M111 PolarHBondContact O-N 2.67Å; M111-R113 VanDerWaalsContact C-N 3.35Å; M111-R113 PolarHBondContact O-N 2.96Å; M111-I114 HydrophobicContact CE-CD1 3.75Å; M111-I114 PolarHBondContact O-N 3.27Å; M111-I114 HydrophobicContact SD-CD1 4.03Å; M111-R115 PolarHBondContact O-N 3.14Å; M111-L166 HydrophobicContact CB-CD2 3.55Å; M111-L166 HydrophobicContact CB-CG 4.34Å
112	Q	86.2	Confident	86.2	Confident	81 Å²	81	65.2 Å²	65.2	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-37.7	172.2	-71.2	174.8	-8.4	0	0	112	L108 S110 N116 L166	L108-Q112 WeakPolarHBondContact O-CB 3.5Å; L108-Q112 WeakPolarHBondContact O-CG 3.36Å; L108-Q112 PolarHBondContact O-N 3.29Å; S110-Q112 PolarHBondContact O-N 2.8Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.14Å; Q112-N116 PolarHBondContact O-ND2 3.25Å; Q112-L166 HydrophobicContact CG-CD2 4.06Å
113	R	88.6	Confident	86.5	Confident	176 Å²	176	67.9 Å²	67.9	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-64.4	-41.6	171.7	-74.6	169.5	178.6	-161	-1.5	111.8	V109 S110 M111 N116 A117	V109-R113 WeakPolarHBondContact O-CB 3.26Å; V109-R113 VanDerWaalsContact O-CG 3.24Å; V109-R113 WeakPolarHBondContact O-CG 3.37Å; V109-R113 PolarHBondContact O-N 2.92Å; S110-R113 WeakPolarHBondContact O-CB 3.4Å; S110-R113 PolarHBondContact O-N 2.99Å; S110-R113 VanDerWaalsContact O-N 3.14Å; M111-R113 VanDerWaalsContact C-N 3.35Å; M111-R113 PolarHBondContact O-N 2.96Å; R113-N116 PolarHBondContact O-N 2.8Å; R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.02Å
114	I	91.2	Very high	86.6	Confident	79 Å²	79	66.6 Å²	66.6	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-50.7	176.2	-69.7	163.6	0	0	0	110.3	S110 M111 N116 A117 F118 L162	S110-I114 WeakPolarHBondContact O-CG1 3.48Å; S110-I114 PolarHBondContact O-N 2.9Å; M111-I114 HydrophobicContact CE-CD1 3.75Å; M111-I114 PolarHBondContact O-N 3.27Å; M111-I114 HydrophobicContact SD-CD1 4.03Å; I114-N116 VanDerWaalsContact C-N 3.33Å; I114-N116 PolarHBondContact O-N 3.04Å; I114-A117 CarbonylContact O-C 3.28Å; I114-A117 WeakPolarHBondContact O-CB 3.24Å; I114-A117 PolarHBondContact O-N 3.31Å; I114-A117 VanDerWaalsContact O-N 3.07Å; I114-F118 WeakPolarHBondContact O-CB 3.1Å; I114-F118 PolarHBondContact O-N 2.89Å; I114-L162 HydrophobicContact CG2-CD2 4.35Å
115	R	90.5	Very high	86.3	Confident	58 Å²	58	72.8 Å²	72.8	22%	0.219	37%	0.368	C	S	.	.	H	α-helix	trans	-52.6	-49.9	174.1	177.6	-175.4	170.1	-88.7	4.8	111.8	M111 A117 F118 I119 L159 L162 E163 L166	M111-R115 PolarHBondContact O-N 3.14Å; R115-A117 VanDerWaalsContact C-N 3.29Å; R115-A117 PolarHBondContact O-N 3.32Å; R115-F118 PolarHBondContact O-N 3.38Å; R115-I119 HydrophobicContact CG-CD1 3.99Å; R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 3.07Å; R115-L159 HydrophobicContact CG-CD1 4.03Å; R115-L162 HydrophobicContact CB-CD2 3.83Å; R115-L162 HydrophobicContact CB-CG 4.39Å; R115-L162 HydrophobicContact CG-CD2 4.4Å; R115-E163 IonicContact CZ-OE1 3.45Å; R115-E163 IonicContact NE-OE1 2.81Å; R115-E163 PolarHBondContact NE-OE1 3.4Å; R115-E163 IonicContact NH2-OE1 3.91Å; R115-E163 PolarHBondContact NH2-OE1 3.27Å; R115-L166 HydrophobicContact CB-CD1 4.04Å; R115-L166 HydrophobicContact CG-CD1 4.39Å
116	N	88.8	Confident	85.5	Confident	73 Å²	73	75.8 Å²	75.8	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-30.5	-179.3	-68.5	-19.3	0	0	0	112.5	Q112 R113 I114 R120	Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.14Å; Q112-N116 PolarHBondContact O-ND2 3.25Å; R113-N116 PolarHBondContact O-N 2.8Å; I114-N116 VanDerWaalsContact C-N 3.33Å; I114-N116 PolarHBondContact O-N 3.04Å; N116-R120 WeakPolarHBondContact O-CG 3.38Å; N116-R120 VanDerWaalsContact O-CZ 3.32Å; N116-R120 PolarHBondContact O-NH1 3.22Å
117	A	90.4	Very high	84.4	Confident	30 Å²	30	73.1 Å²	73.1	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-72.8	-42.4	172.3	0	0	0	0	0	112	R113 I114 R115 R120 L121	R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.02Å; I114-A117 CarbonylContact O-C 3.28Å; I114-A117 WeakPolarHBondContact O-CB 3.24Å; I114-A117 PolarHBondContact O-N 3.31Å; I114-A117 VanDerWaalsContact O-N 3.07Å; R115-A117 VanDerWaalsContact C-N 3.29Å; R115-A117 PolarHBondContact O-N 3.32Å; A117-R120 PolarHBondContact O-N 2.68Å; A117-L121 WeakPolarHBondContact O-CG 3.41Å; A117-L121 PolarHBondContact O-N 3.48Å
118	F	92	Very high	83.1	Confident	47 Å²	47	76.3 Å²	76.3	21%	0.206	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-50.7	177.9	-174.8	-88.1	0	0	0	111.4	I114 R115 R120 L121 T122 A124 A155 T158 L159	I114-F118 WeakPolarHBondContact O-CB 3.1Å; I114-F118 PolarHBondContact O-N 2.89Å; R115-F118 PolarHBondContact O-N 3.38Å; F118-R120 PolarHBondContact O-N 3.32Å; F118-L121 PolarHBondContact O-N 2.9Å; F118-T122 HydrophobicContact CD1-CG2 4.23Å; F118-T122 HydrophobicContact CD2-CG2 4.29Å; F118-T122 HydrophobicContact CE1-CG2 3.83Å; F118-T122 HydrophobicContact CE2-CG2 3.91Å; F118-T122 HydrophobicContact CG-CG2 4.45Å; F118-T122 HydrophobicContact CZ-CG2 3.66Å; F118-T122 PolarHBondContact O-N 2.84Å; F118-T122 PolarHBondContact O-OG1 3.29Å; F118-A124 HydrophobicContact CE1-CB 4.29Å; F118-A155 VanDerWaalsContact CE1-O 3.24Å; F118-A155 WeakPolarHBondContact CE1-O 3.24Å; F118-A155 HydrophobicContact CZ-CB 4.41Å; F118-T158 HydrophobicContact CE2-CG2 3.74Å; F118-T158 HydrophobicContact CZ-CG2 3.67Å; F118-L159 HydrophobicContact CD1-CB 4.36Å; F118-L159 HydrophobicContact CD1-CD1 4.31Å; F118-L159 HydrophobicContact CE1-CB 4.02Å
119	I	88.6	Confident	81.8	Confident	43 Å²	43	83 Å²	83	22%	0.221	42%	0.421	C	S	.	.	H	α-helix	trans	-55.2	-40.3	175.9	-66.3	166.7	0	0	0	111.5	R115 A123 V126 L159	R115-I119 HydrophobicContact CG-CD1 3.99Å; R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 3.07Å; I119-A123 WeakPolarHBondContact O-CA 3.4Å; I119-A123 PolarHBondContact O-N 2.96Å; I119-V126 HydrophobicContact CD1-CG2 4.2Å; I119-L159 HydrophobicContact CD1-CD1 4.1Å; I119-L159 HydrophobicContact CD1-CD2 4.41Å; I119-L159 HydrophobicContact CG1-CD1 3.82Å; I119-L159 HydrophobicContact CG1-CD2 3.96Å
120	R	88.2	Confident	80.2	Confident	185 Å²	185	84 Å²	84	70%	0.698	42%	0.418	S	S	*	.	H	α-helix	trans	-69.5	-29.9	177.2	-72.8	-170.5	-54.3	-91	4.2	113.8	N116 A117 F118	N116-R120 WeakPolarHBondContact O-CG 3.38Å; N116-R120 VanDerWaalsContact O-CZ 3.32Å; N116-R120 PolarHBondContact O-NH1 3.22Å; A117-R120 PolarHBondContact O-N 2.68Å; F118-R120 PolarHBondContact O-N 3.32Å
121	L	88.6	Confident	78.2	Confident	140 Å²	140	87.9 Å²	87.9	73%	0.733	43%	0.434	S	S	*	.	H	α-helix	trans	-83.2	-33	-179.5	-71.7	169.5	0	0	0	112.5	A117 F118 Y151	A117-L121 WeakPolarHBondContact O-CG 3.41Å; A117-L121 PolarHBondContact O-N 3.48Å; F118-L121 PolarHBondContact O-N 2.9Å; L121-Y151 PolarHBondContact O-OH 2.8Å
122	T	87.5	Confident	76.3	Confident	21 Å²	21	87.5 Å²	87.5	13%	0.129	43%	0.433	C	S	.	.	H	α-helix	trans	-105.6	-18.2	-172	61.8	0	0	0	0	114.8	F118 A124 A155	F118-T122 HydrophobicContact CD1-CG2 4.23Å; F118-T122 HydrophobicContact CD2-CG2 4.29Å; F118-T122 HydrophobicContact CE1-CG2 3.83Å; F118-T122 HydrophobicContact CE2-CG2 3.91Å; F118-T122 HydrophobicContact CG-CG2 4.45Å; F118-T122 HydrophobicContact CZ-CG2 3.66Å; F118-T122 PolarHBondContact O-N 2.84Å; F118-T122 PolarHBondContact O-OG1 3.29Å; T122-A124 PolarHBondContact O-N 3.33Å; T122-A124 VanDerWaalsContact OG1-CB 3.24Å; T122-A124 WeakPolarHBondContact OG1-CB 3.5Å; T122-A124 PolarHBondContact OG1-N 3.42Å; T122-A155 HydrophobicContact CG2-CB 4.03Å
123	A	82.6	Confident	74.2	Confident	74 Å²	74	89.4 Å²	89.4	61%	0.612	45%	0.45	S	S	*	.			trans	55.1	21.8	-166.4	0	0	0	0	0	114	I119 Q125	I119-A123 WeakPolarHBondContact O-CA 3.4Å; I119-A123 PolarHBondContact O-N 2.96Å; A123-Q125 PolarHBondContact O-NE2 2.67Å
124	A	80.2	Confident	71.9	Confident	6 Å²	6	86.3 Å²	86.3	5%	0.05	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-55.4	143.2	174.7	0	0	0	0	0	111.3	F118 T122 A155 N156 L159	F118-A124 HydrophobicContact CE1-CB 4.29Å; T122-A124 PolarHBondContact O-N 3.33Å; T122-A124 VanDerWaalsContact OG1-CB 3.24Å; T122-A124 WeakPolarHBondContact OG1-CB 3.5Å; T122-A124 PolarHBondContact OG1-N 3.42Å; A124-A155 HydrophobicContact CB-CB 4.3Å; A124-N156 VanDerWaalsContact CA-OD1 3.31Å; A124-N156 WeakPolarHBondContact CA-OD1 3.27Å; A124-N156 WeakPolarHBondContact CB-OD1 3.2Å; A124-L159 HydrophobicContact CB-CB 4.32Å; A124-L159 HydrophobicContact CB-CD2 3.79Å
125	Q	74.3	Confident	69.6	Low	141 Å²	141	87.3 Å²	87.3	66%	0.659	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-96.3	130.4	-176.5	-60.8	-61.3	-64.6	0	0	109.7	A123 S127 N156	A123-Q125 PolarHBondContact O-NE2 2.67Å; Q125-S127 PolarHBondContact O-N 3.45Å; Q125-N156 PolarHBondContact N-OD1 3.05Å
126	V	64.5	Low	67.3	Low	73 Å²	73	94.6 Å²	94.6	44%	0.442	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-68.6	120.8	176.7	178.6	0	0	0	0	109.4	I119 L159	I119-V126 HydrophobicContact CD1-CG2 4.2Å; V126-L159 HydrophobicContact CG2-CD2 4.28Å
127	S	60.7	Low	65	Low	39 Å²	39	97.1 Å²	97.1	27%	0.273	51%	0.508	S	S	.	.			trans	-121	114	-178.7	163.7	0	0	0	0	109.3	Q125 K129 E160	Q125-S127 PolarHBondContact O-N 3.45Å; S127-K129 PolarHBondContact O-N 2.92Å; S127-E160 WeakPolarHBondContact CB-OE1 3.26Å; S127-E160 PolarHBondContact OG-OE1 2.74Å
128	N	57.6	Low	63	Low	135 Å²	135	101.1 Å²	101.1	72%	0.722	53%	0.534	S	S	*	.			trans	-75.5	29.2	-178.2	-74.1	-20	0	0	0	113.5
129	K	56	Low	61.2	Low	155 Å²	155	104.3 Å²	104.3	67%	0.674	56%	0.557	S	S	*	*			trans	-117.2	87.9	-174.8	-71.9	-173.6	177.1	-178.9	0	111.5	S127 N131	S127-K129 PolarHBondContact O-N 2.92Å; K129-N131 VanDerWaalsContact C-N 3.32Å; K129-N131 PolarHBondContact O-N 3.06Å
130	Y	52.4	Low	59.4	Low	88 Å²	88	107.6 Å²	107.6	35%	0.345	58%	0.581	S	S	.	*			trans	-71.1	81.4	174.3	-53.9	-78.7	0	0	0	111.9	W164 K167	Y130-W164 HydrophobicContact CD1-CB 4.25Å; Y130-W164 HydrophobicContact CE1-CB 4.43Å; Y130-K167 HydrophobicContact CE1-CD 4.25Å; Y130-K167 HydrophobicContact CE2-CD 4.15Å; Y130-K167 VanDerWaalsContact CE2-NZ 3.25Å
131	N	44.2	Very low	57.7	Low	139 Å²	139	106.2 Å²	106.2	74%	0.743	59%	0.594	S	S	*	*			trans	-112.6	58.3	170.6	-84.3	9.8	0	0	0	110.3	K129 T133	K129-N131 VanDerWaalsContact C-N 3.32Å; K129-N131 PolarHBondContact O-N 3.06Å; N131-T133 PolarHBondContact O-N 3.42Å
132	I	48.9	Very low	56.2	Low	55 Å²	55	102 Å²	102	28%	0.282	58%	0.584	S	S	.	*			trans	-69	116.4	176.4	-67.8	173.8	0	0	0	109.2	T134 E161 W164	I132-T134 HydrophobicContact CG2-CG2 3.75Å; I132-E161 WeakPolarHBondContact CD1-OE1 3.49Å; I132-E161 WeakPolarHBondContact CG1-OE1 3.36Å; I132-E161 VanDerWaalsContact CG2-OE1 3.28Å; I132-E161 WeakPolarHBondContact CG2-OE1 3.28Å; I132-W164 HydrophobicContact CD1-CB 3.56Å; I132-W164 HydrophobicContact CD1-CD2 3.83Å; I132-W164 HydrophobicContact CD1-CE3 4.49Å; I132-W164 HydrophobicContact CD1-CG 3.38Å
133	T	43	Very low	55	Low	121 Å²	121	109.1 Å²	109.1	74%	0.742	62%	0.621	S	S	*	*			trans	-110.1	98.6	164.4	-50.5	0	0	0	0	106.7	N131 V135	N131-T133 PolarHBondContact O-N 3.42Å; T133-V135 HydrophobicContact CG2-CG2 4.2Å; T133-V135 PolarHBondContact O-N 3.22Å
134	T	40	Very low	54.3	Low	111 Å²	111	109.2 Å²	109.2	68%	0.681	61%	0.611	S	S	*	*			trans	-66	104.8	-178.1	49.6	0	0	0	0	110.6	I132	I132-T134 HydrophobicContact CG2-CG2 3.75Å
135	V	41.8	Very low	54	Low	100 Å²	100	113.1 Å²	113.1	61%	0.606	63%	0.634	S	S	*	*			trans	-128.5	104.3	168.3	-165.7	0	0	0	0	108	T133 D137	T133-V135 HydrophobicContact CG2-CG2 4.2Å; T133-V135 PolarHBondContact O-N 3.22Å; V135-D137 HydrophobicContact CG1-CB 4.18Å; V135-D137 PolarHBondContact O-N 2.88Å
136	F	42.5	Very low	53.9	Low	210 Å²	210	110.3 Å²	110.3	92%	0.921	63%	0.628	S	S	*	*			trans	-74.9	72.8	170.1	-77	-81.8	0	0	0	109.6
137	D	40.8	Very low	54.2	Low	127 Å²	127	113.5 Å²	113.5	68%	0.679	64%	0.643	S	S	*	*			trans	-96.1	144.3	172.4	-109.5	-35.1	0	0	0	111.9	V135 V139	V135-D137 HydrophobicContact CG1-CB 4.18Å; V135-D137 PolarHBondContact O-N 2.88Å; D137-V139 PolarHBondContact O-N 2.96Å; D137-V139 VanDerWaalsContact O-N 3.1Å
138	S	49.2	Very low	55.2	Low	114 Å²	114	112.8 Å²	112.8	80%	0.797	64%	0.638	S	S	*	*			trans	-60.8	108.3	-166.2	-58.4	0	0	0	0	113	P140	S138-P140 WeakPolarHBondContact O-CD 3.36Å
139	V	52.8	Low	56.4	Low	113 Å²	113	110 Å²	110	69%	0.685	63%	0.629	S	S	*	*			trans	-63.1	125.5	178.7	-175.9	0	0	0	0	110.8	D137 T141	D137-V139 PolarHBondContact O-N 2.96Å; D137-V139 VanDerWaalsContact O-N 3.1Å; V139-T141 PolarHBondContact O-N 3.36Å
140	P	51.1	Low	57.7	Low	113 Å²	113	106.8 Å²	106.8	73%	0.734	62%	0.619	S	S	*	*			trans	-61.3	125	173.9	-22	33.3	0	0	0	110.9	S138 G142	S138-P140 WeakPolarHBondContact O-CD 3.36Å; P140-G142 PolarHBondContact O-N 3.41Å
141	T	53.9	Low	59.3	Low	156 Å²	156	105.1 Å²	105.1	96%	0.957	61%	0.613	S	S	*	*			trans	-76.4	30.1	-169.9	-10.8	0	0	0	0	114.3	V139	V139-T141 PolarHBondContact O-N 3.36Å
142	G	56.5	Low	61.2	Low	51 Å²	51	103.5 Å²	103.5	53%	0.526	60%	0.599	S	S	.	*	S	Bend	trans	-89	142.7	-179.3	0	0	0	0	0	112.8	P140 L144	P140-G142 PolarHBondContact O-N 3.41Å; G142-L144 PolarHBondContact O-N 2.99Å
143	N	61.6	Low	62.9	Low	171 Å²	171	105 Å²	105	91%	0.914	61%	0.606	S	S	*	*			trans	-64.4	107.2	171.2	-77.4	-17	0	0	0	110.3
144	L	68.4	Low	65	Low	75 Å²	75	102.3 Å²	102.3	39%	0.393	59%	0.587	S	S	.	*			trans	-69.9	127	174.5	-66.6	165.4	0	0	0	110.6	G142 D150 Y151 I154	G142-L144 PolarHBondContact O-N 2.99Å; L144-D150 HydrophobicContact CD2-CB 3.94Å; L144-Y151 HydrophobicContact CB-CD2 4.12Å; L144-I154 HydrophobicContact CD1-CD1 3.58Å
145	T	73.5	Confident	67.3	Low	89 Å²	89	97.2 Å²	97.2	55%	0.546	56%	0.557	S	S	.	*			trans	-78.5	135.5	171.4	53.7	0	0	0	0	110.1	D147 S148 Y151	T145-D147 PolarHBondContact O-N 3.19Å; T145-S148 WeakPolarHBondContact O-CB 3.38Å; T145-S148 PolarHBondContact O-N 2.69Å; T145-S148 PolarHBondContact O-OG 2.97Å; T145-Y151 WeakPolarHBondContact O-CB 3.4Å
146	P	71.7	Confident	69.4	Low	81 Å²	81	94.9 Å²	94.9	53%	0.526	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.8	-175.9	-29.9	36.2	0	0	0	116.1	Y151	P146-Y151 HydrophobicContact CB-CD1 4.49Å; P146-Y151 HydrophobicContact CB-CE1 4.24Å; P146-Y151 WeakPolarHBondContact O-CD1 3.29Å
147	D	72.5	Confident	71.6	Confident	140 Å²	140	89.9 Å²	89.9	75%	0.749	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.4	179.8	-66.4	-53.7	0	0	0	114.6	T145 K152	T145-D147 PolarHBondContact O-N 3.19Å; D147-K152 PolarHBondContact O-NZ 2.92Å
148	S	81.1	Confident	73.9	Confident	25 Å²	25	86.9 Å²	86.9	18%	0.175	51%	0.506	C	S	.	.	S	Bend	trans	-66.2	153.5	-179	62.9	0	0	0	0	112.7	T145 D150 Y151 K152	T145-S148 WeakPolarHBondContact O-CB 3.38Å; T145-S148 PolarHBondContact O-N 2.69Å; T145-S148 PolarHBondContact O-OG 2.97Å; S148-D150 PolarHBondContact O-N 3.03Å; S148-Y151 WeakPolarHBondContact OG-CB 3.44Å; S148-Y151 PolarHBondContact OG-N 2.95Å; S148-Y151 VanDerWaalsContact OG-N 3.13Å; S148-K152 PolarHBondContact O-N 2.89Å
149	S	82.6	Confident	75.8	Confident	77 Å²	77	81.5 Å²	81.5	54%	0.538	47%	0.469	S	S	.	.	H	α-helix	trans	-54.3	-46.1	167.8	38.8	0	0	0	0	110.9	K152 I153	S149-K152 WeakPolarHBondContact O-CB 3.28Å; S149-K152 PolarHBondContact O-N 3.23Å; S149-I153 WeakPolarHBondContact O-CG1 3.43Å; S149-I153 PolarHBondContact O-N 2.99Å
150	D	82.5	Confident	77.4	Confident	87 Å²	87	78.5 Å²	78.5	47%	0.465	45%	0.447	S	S	.	.	H	α-helix	trans	-72.2	-38.3	-167.1	-48.4	-5	0	0	0	110.3	L144 S148 K152 I153 I154	L144-D150 HydrophobicContact CD2-CB 3.94Å; S148-D150 PolarHBondContact O-N 3.03Å; D150-K152 VanDerWaalsContact C-N 3.31Å; D150-K152 PolarHBondContact O-N 3.24Å; D150-I153 PolarHBondContact O-N 2.6Å; D150-I154 WeakPolarHBondContact O-CB 3.48Å; D150-I154 WeakPolarHBondContact O-CG1 3.45Å; D150-I154 PolarHBondContact O-N 2.97Å
151	Y	86.5	Confident	79.1	Confident	53 Å²	53	76.8 Å²	76.8	21%	0.208	43%	0.429	C	S	.	.	H	α-helix	trans	-56.3	-44.5	168.5	178.9	-94.4	0	0	0	112.1	L121 L144 T145 P146 S148 A155	L121-Y151 PolarHBondContact O-OH 2.8Å; L144-Y151 HydrophobicContact CB-CD2 4.12Å; T145-Y151 WeakPolarHBondContact O-CB 3.4Å; P146-Y151 HydrophobicContact CB-CD1 4.49Å; P146-Y151 HydrophobicContact CB-CE1 4.24Å; P146-Y151 WeakPolarHBondContact O-CD1 3.29Å; S148-Y151 WeakPolarHBondContact OG-CB 3.44Å; S148-Y151 PolarHBondContact OG-N 2.95Å; S148-Y151 VanDerWaalsContact OG-N 3.13Å; Y151-A155 WeakPolarHBondContact O-CB 3.49Å; Y151-A155 PolarHBondContact O-N 3.28Å
152	K	85.1	Confident	80.8	Confident	104 Å²	104	70.8 Å²	70.8	45%	0.452	39%	0.391	S	S	.	.	H	α-helix	trans	-71.4	-36	-178.4	-69.3	171.2	-176.7	161.9	0	112.1	D147 S148 S149 D150 N156	D147-K152 PolarHBondContact O-NZ 2.92Å; S148-K152 PolarHBondContact O-N 2.89Å; S149-K152 WeakPolarHBondContact O-CB 3.28Å; S149-K152 PolarHBondContact O-N 3.23Å; D150-K152 VanDerWaalsContact C-N 3.31Å; D150-K152 PolarHBondContact O-N 3.24Å; K152-N156 WeakPolarHBondContact O-CB 3.35Å; K152-N156 VanDerWaalsContact O-CG 3.22Å; K152-N156 PolarHBondContact O-N 3.47Å; K152-N156 PolarHBondContact O-ND2 3.31Å
153	I	85	Confident	82.4	Confident	86 Å²	86	69 Å²	69	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-59.3	174.1	-69.2	164	0	0	0	109.1	S149 D150 A155 N156 E157	S149-I153 WeakPolarHBondContact O-CG1 3.43Å; S149-I153 PolarHBondContact O-N 2.99Å; D150-I153 PolarHBondContact O-N 2.6Å; I153-A155 VanDerWaalsContact C-N 3.26Å; I153-A155 PolarHBondContact O-N 2.87Å; I153-N156 PolarHBondContact O-N 2.93Å; I153-E157 HydrophobicContact CG2-CG 4.39Å; I153-E157 VanDerWaalsContact CG2-OE1 3.24Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.49Å; I153-E157 WeakPolarHBondContact O-CG 3.42Å; I153-E157 PolarHBondContact O-N 3.23Å
154	I	86.3	Confident	83.6	Confident	65 Å²	65	65.7 Å²	65.7	33%	0.333	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-38.1	-179.2	-68.5	165.2	0	0	0	111.5	L144 D150 T158	L144-I154 HydrophobicContact CD1-CD1 3.58Å; D150-I154 WeakPolarHBondContact O-CB 3.48Å; D150-I154 WeakPolarHBondContact O-CG1 3.45Å; D150-I154 PolarHBondContact O-N 2.97Å; I154-T158 VanDerWaalsContact O-CB 3.24Å; I154-T158 WeakPolarHBondContact O-CB 3.2Å; I154-T158 PolarHBondContact O-N 3.48Å; I154-T158 PolarHBondContact O-OG1 3.07Å
155	A	88.1	Confident	84.5	Confident	5 Å²	5	64.7 Å²	64.7	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-38.6	176.7	0	0	0	0	0	113.2	F118 T122 A124 Y151 I153 L159	F118-A155 VanDerWaalsContact CE1-O 3.24Å; F118-A155 WeakPolarHBondContact CE1-O 3.24Å; F118-A155 HydrophobicContact CZ-CB 4.41Å; T122-A155 HydrophobicContact CG2-CB 4.03Å; A124-A155 HydrophobicContact CB-CB 4.3Å; Y151-A155 WeakPolarHBondContact O-CB 3.49Å; Y151-A155 PolarHBondContact O-N 3.28Å; I153-A155 VanDerWaalsContact C-N 3.26Å; I153-A155 PolarHBondContact O-N 2.87Å; A155-L159 WeakPolarHBondContact O-CB 3.24Å; A155-L159 PolarHBondContact O-N 3.24Å; A155-L159 VanDerWaalsContact O-N 3.16Å
156	N	86.6	Confident	85.1	Confident	50 Å²	50	61 Å²	61	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-71.8	-43.5	175.8	-68.9	-39.3	0	0	0	111.1	A124 Q125 K152 I153 T158 L159 E160	A124-N156 VanDerWaalsContact CA-OD1 3.31Å; A124-N156 WeakPolarHBondContact CA-OD1 3.27Å; A124-N156 WeakPolarHBondContact CB-OD1 3.2Å; Q125-N156 PolarHBondContact N-OD1 3.05Å; K152-N156 WeakPolarHBondContact O-CB 3.35Å; K152-N156 VanDerWaalsContact O-CG 3.22Å; K152-N156 PolarHBondContact O-N 3.47Å; K152-N156 PolarHBondContact O-ND2 3.31Å; I153-N156 PolarHBondContact O-N 2.93Å; N156-T158 PolarHBondContact O-N 3.14Å; N156-L159 WeakPolarHBondContact O-CB 3.37Å; N156-L159 PolarHBondContact O-N 2.78Å; N156-L159 VanDerWaalsContact O-N 3.09Å; N156-E160 PolarHBondContact O-N 3.03Å
157	E	87.6	Confident	85.7	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-47.3	175.7	-69.9	168.2	167.9	0	0	111.4	I153 L159 E160 E161	I153-E157 HydrophobicContact CG2-CG 4.39Å; I153-E157 VanDerWaalsContact CG2-OE1 3.24Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.49Å; I153-E157 WeakPolarHBondContact O-CG 3.42Å; I153-E157 PolarHBondContact O-N 3.23Å; E157-L159 PolarHBondContact O-N 2.99Å; E157-E160 PolarHBondContact O-N 3.16Å; E157-E161 WeakPolarHBondContact O-CG 3.25Å; E157-E161 PolarHBondContact O-N 2.73Å
158	T	89.6	Confident	86	Confident	63 Å²	63	57.6 Å²	57.6	39%	0.387	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-32.7	175.7	-55.6	0	0	0	0	112.2	F118 I154 N156 L162	F118-T158 HydrophobicContact CE2-CG2 3.74Å; F118-T158 HydrophobicContact CZ-CG2 3.67Å; I154-T158 VanDerWaalsContact O-CB 3.24Å; I154-T158 WeakPolarHBondContact O-CB 3.2Å; I154-T158 PolarHBondContact O-N 3.48Å; I154-T158 PolarHBondContact O-OG1 3.07Å; N156-T158 PolarHBondContact O-N 3.14Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.22Å; T158-L162 VanDerWaalsContact O-N 3.09Å
159	L	89.9	Confident	86	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-72.7	-42.6	175.5	-179.5	61.4	0	0	0	111.7	R115 F118 I119 A124 V126 A155 N156 E157 L162 E163	R115-L159 HydrophobicContact CG-CD1 4.03Å; F118-L159 HydrophobicContact CD1-CB 4.36Å; F118-L159 HydrophobicContact CD1-CD1 4.31Å; F118-L159 HydrophobicContact CE1-CB 4.02Å; I119-L159 HydrophobicContact CD1-CD1 4.1Å; I119-L159 HydrophobicContact CD1-CD2 4.41Å; I119-L159 HydrophobicContact CG1-CD1 3.82Å; I119-L159 HydrophobicContact CG1-CD2 3.96Å; A124-L159 HydrophobicContact CB-CB 4.32Å; A124-L159 HydrophobicContact CB-CD2 3.79Å; V126-L159 HydrophobicContact CG2-CD2 4.28Å; A155-L159 WeakPolarHBondContact O-CB 3.24Å; A155-L159 PolarHBondContact O-N 3.24Å; A155-L159 VanDerWaalsContact O-N 3.16Å; N156-L159 WeakPolarHBondContact O-CB 3.37Å; N156-L159 PolarHBondContact O-N 2.78Å; N156-L159 VanDerWaalsContact O-N 3.09Å; E157-L159 PolarHBondContact O-N 2.99Å; L159-L162 PolarHBondContact O-N 3.4Å; L159-E163 HydrophobicContact CD1-CG 4.19Å; L159-E163 HydrophobicContact CG-CG 4.49Å; L159-E163 WeakPolarHBondContact O-CB 3.23Å; L159-E163 WeakPolarHBondContact O-CG 3.41Å; L159-E163 PolarHBondContact O-N 2.9Å
160	E	85.8	Confident	85.8	Confident	49 Å²	49	59.1 Å²	59.1	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-42.4	176.7	-71.7	-173.6	164.5	0	0	111.2	S127 N156 E157 E163 W164	S127-E160 WeakPolarHBondContact CB-OE1 3.26Å; S127-E160 PolarHBondContact OG-OE1 2.74Å; N156-E160 PolarHBondContact O-N 3.03Å; E157-E160 PolarHBondContact O-N 3.16Å; E160-E163 PolarHBondContact O-N 2.71Å; E160-W164 WeakPolarHBondContact O-CB 3.26Å; E160-W164 PolarHBondContact O-N 3.23Å
161	E	86.3	Confident	85.5	Confident	78 Å²	78	59.5 Å²	59.5	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-45.5	172	-74.9	-64.2	156.5	0	0	112.7	I132 E157 E163 W164 C165	I132-E161 WeakPolarHBondContact CD1-OE1 3.49Å; I132-E161 WeakPolarHBondContact CG1-OE1 3.36Å; I132-E161 VanDerWaalsContact CG2-OE1 3.28Å; I132-E161 WeakPolarHBondContact CG2-OE1 3.28Å; E157-E161 WeakPolarHBondContact O-CG 3.25Å; E157-E161 PolarHBondContact O-N 2.73Å; E161-E163 PolarHBondContact O-N 3.43Å; E161-W164 PolarHBondContact O-N 2.88Å; E161-C165 PolarHBondContact O-N 2.94Å; E161-C165 PolarHBondContact O-SG 2.92Å
162	L	90.6	Very high	85	Confident	29 Å²	29	59.7 Å²	59.7	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-37.4	178.6	179.8	60.1	0	0	0	112.3	I114 R115 T158 L159 C165 L166	I114-L162 HydrophobicContact CG2-CD2 4.35Å; R115-L162 HydrophobicContact CB-CD2 3.83Å; R115-L162 HydrophobicContact CB-CG 4.39Å; R115-L162 HydrophobicContact CG-CD2 4.4Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.22Å; T158-L162 VanDerWaalsContact O-N 3.09Å; L159-L162 PolarHBondContact O-N 3.4Å; L162-C165 PolarHBondContact O-N 3.33Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 2.62Å
163	E	88.5	Confident	84	Confident	15 Å²	15	58.7 Å²	58.7	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-69.9	-35.5	174.7	-74.1	-172.7	170.4	0	0	112.3	R115 L159 E160 E161 K167	R115-E163 IonicContact CZ-OE1 3.45Å; R115-E163 IonicContact NE-OE1 2.81Å; R115-E163 PolarHBondContact NE-OE1 3.4Å; R115-E163 IonicContact NH2-OE1 3.91Å; R115-E163 PolarHBondContact NH2-OE1 3.27Å; L159-E163 HydrophobicContact CD1-CG 4.19Å; L159-E163 HydrophobicContact CG-CG 4.49Å; L159-E163 WeakPolarHBondContact O-CB 3.23Å; L159-E163 WeakPolarHBondContact O-CG 3.41Å; L159-E163 PolarHBondContact O-N 2.9Å; E160-E163 PolarHBondContact O-N 2.71Å; E161-E163 PolarHBondContact O-N 3.43Å; E163-K167 WeakPolarHBondContact O-CB 3.22Å; E163-K167 PolarHBondContact O-N 3.37Å
164	W	86.8	Confident	82.9	Confident	101 Å²	101	60.9 Å²	60.9	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-47.5	170.5	179.3	94.2	0	0	0	111.4	Y130 I132 E160 E161 L166 K167 Q168	Y130-W164 HydrophobicContact CD1-CB 4.25Å; Y130-W164 HydrophobicContact CE1-CB 4.43Å; I132-W164 HydrophobicContact CD1-CB 3.56Å; I132-W164 HydrophobicContact CD1-CD2 3.83Å; I132-W164 HydrophobicContact CD1-CE3 4.49Å; I132-W164 HydrophobicContact CD1-CG 3.38Å; E160-W164 WeakPolarHBondContact O-CB 3.26Å; E160-W164 PolarHBondContact O-N 3.23Å; E161-W164 PolarHBondContact O-N 2.88Å; W164-L166 VanDerWaalsContact C-N 3.34Å; W164-L166 PolarHBondContact O-N 2.56Å; W164-K167 WeakPolarHBondContact O-CB 3.49Å; W164-K167 PolarHBondContact O-N 2.75Å; W164-K167 VanDerWaalsContact O-N 3.11Å; W164-Q168 HydrophobicContact CD2-CG 3.94Å; W164-Q168 VanDerWaalsContact CE2-NE2 3.32Å; W164-Q168 HydrophobicContact CE3-CG 4.11Å; W164-Q168 HydrophobicContact CH2-CG 3.9Å; W164-Q168 HydrophobicContact CZ2-CG 3.73Å; W164-Q168 HydrophobicContact CZ3-CG 4.08Å; W164-Q168 VanDerWaalsContact NE1-NE2 3.18Å; W164-Q168 WeakPolarHBondContact O-CG 3.44Å; W164-Q168 PolarHBondContact O-N 3.03Å
165	C	87.8	Confident	82.1	Confident	54 Å²	54	63.5 Å²	63.5	37%	0.365	32%	0.317	S	S	.	.	H	α-helix	trans	-55.5	-47.4	175.3	-73.4	0	0	0	0	111.9	E161 L162 K167 Q168 L169	E161-C165 PolarHBondContact O-N 2.94Å; E161-C165 PolarHBondContact O-SG 2.92Å; L162-C165 PolarHBondContact O-N 3.33Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 2.84Å; C165-Q168 PolarHBondContact O-N 2.79Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 2.77Å
166	L	85.6	Confident	81.3	Confident	12 Å²	12	72.1 Å²	72.1	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-45.3	175.5	-84.4	167.8	0	0	0	111.9	M111 Q112 R115 L162 W164 Q168 L169 E170	M111-L166 HydrophobicContact CB-CD2 3.55Å; M111-L166 HydrophobicContact CB-CG 4.34Å; Q112-L166 HydrophobicContact CG-CD2 4.06Å; R115-L166 HydrophobicContact CB-CD1 4.04Å; R115-L166 HydrophobicContact CG-CD1 4.39Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 2.62Å; W164-L166 VanDerWaalsContact C-N 3.34Å; W164-L166 PolarHBondContact O-N 2.56Å; L166-Q168 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.32Å; L166-E170 WeakPolarHBondContact O-CG 3.08Å; L166-E170 PolarHBondContact O-N 2.72Å
167	K	84.1	Confident	80.6	Confident	83 Å²	83	73 Å²	73	36%	0.361	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-37.9	177.6	-174.6	176.5	-180	-179.9	0	112.7	Y130 E163 W164 C165 E170 N171	Y130-K167 HydrophobicContact CE1-CD 4.25Å; Y130-K167 HydrophobicContact CE2-CD 4.15Å; Y130-K167 VanDerWaalsContact CE2-NZ 3.25Å; E163-K167 WeakPolarHBondContact O-CB 3.22Å; E163-K167 PolarHBondContact O-N 3.37Å; W164-K167 WeakPolarHBondContact O-CB 3.49Å; W164-K167 PolarHBondContact O-N 2.75Å; W164-K167 VanDerWaalsContact O-N 3.11Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 2.84Å; K167-E170 PolarHBondContact O-N 3.16Å; K167-N171 PolarHBondContact O-N 2.82Å; K167-N171 PolarHBondContact O-ND2 3.48Å
168	Q	80.3	Confident	79.9	Confident	66 Å²	66	68.7 Å²	68.7	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-42	174.1	-61.2	-51	-19.3	0	0	112	W164 C165 L166 E170 N171 I172	W164-Q168 HydrophobicContact CD2-CG 3.94Å; W164-Q168 VanDerWaalsContact CE2-NE2 3.32Å; W164-Q168 HydrophobicContact CE3-CG 4.11Å; W164-Q168 HydrophobicContact CH2-CG 3.9Å; W164-Q168 HydrophobicContact CZ2-CG 3.73Å; W164-Q168 HydrophobicContact CZ3-CG 4.08Å; W164-Q168 VanDerWaalsContact NE1-NE2 3.18Å; W164-Q168 WeakPolarHBondContact O-CG 3.44Å; W164-Q168 PolarHBondContact O-N 3.03Å; C165-Q168 PolarHBondContact O-N 2.79Å; L166-Q168 PolarHBondContact O-N 2.95Å; Q168-E170 VanDerWaalsContact C-N 3.33Å; Q168-E170 PolarHBondContact O-N 3.38Å; Q168-N171 PolarHBondContact O-N 2.94Å; Q168-I172 WeakPolarHBondContact O-CD1 3.48Å; Q168-I172 VanDerWaalsContact O-CG1 3.31Å; Q168-I172 WeakPolarHBondContact O-CG1 3.49Å; Q168-I172 PolarHBondContact O-N 3.09Å; Q168-I172 VanDerWaalsContact O-N 3.13Å
169	L	81.4	Confident	79.1	Confident	48 Å²	48	68.5 Å²	68.5	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-41.2	174	-68.3	169.5	0	0	0	111.4	F104 L108 C165 L166 I172 Q173	F104-L169 WeakPolarHBondContact CE1-O 3.45Å; F104-L169 HydrophobicContact CE2-CD2 3.82Å; F104-L169 HydrophobicContact CZ-CB 3.95Å; F104-L169 HydrophobicContact CZ-CD2 3.87Å; F104-L169 WeakPolarHBondContact CZ-O 3.5Å; L108-L169 HydrophobicContact CD2-CB 3.71Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 2.77Å; L166-L169 PolarHBondContact O-N 3.32Å; L169-I172 PolarHBondContact O-N 3.24Å; L169-Q173 PolarHBondContact O-N 3.08Å
170	E	77.5	Confident	78.4	Confident	86 Å²	86	72 Å²	72	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175	-72.1	178.1	178.2	0	0	112.2	L108 L166 K167 Q168 I172 Q173	L108-E170 HydrophobicContact CD2-CG 4.23Å; L166-E170 WeakPolarHBondContact O-CG 3.08Å; L166-E170 PolarHBondContact O-N 2.72Å; K167-E170 PolarHBondContact O-N 3.16Å; Q168-E170 VanDerWaalsContact C-N 3.33Å; Q168-E170 PolarHBondContact O-N 3.38Å; E170-I172 PolarHBondContact O-N 2.9Å; E170-Q173 WeakPolarHBondContact O-CB 3.15Å; E170-Q173 VanDerWaalsContact O-CG 3.28Å; E170-Q173 WeakPolarHBondContact O-CG 3.06Å; E170-Q173 PolarHBondContact O-N 2.86Å
171	N	76.3	Confident	77.9	Confident	94 Å²	94	74 Å²	74	50%	0.503	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-21.6	175.2	-70.9	-24.8	0	0	0	114.4	K167 Q168	K167-N171 PolarHBondContact O-N 2.82Å; K167-N171 PolarHBondContact O-ND2 3.48Å; Q168-N171 PolarHBondContact O-N 2.94Å
172	I	75.2	Confident	77.4	Confident	58 Å²	58	70.5 Å²	70.5	30%	0.297	35%	0.353	S	S	.	.	H	α-helix	trans	-88.2	-13.2	-179.6	-69.6	166.3	0	0	0	112	Q168 L169 E170 T174 K175 V178	Q168-I172 WeakPolarHBondContact O-CD1 3.48Å; Q168-I172 VanDerWaalsContact O-CG1 3.31Å; Q168-I172 WeakPolarHBondContact O-CG1 3.49Å; Q168-I172 PolarHBondContact O-N 3.09Å; Q168-I172 VanDerWaalsContact O-N 3.13Å; L169-I172 PolarHBondContact O-N 3.24Å; E170-I172 PolarHBondContact O-N 2.9Å; I172-T174 PolarHBondContact O-N 3.02Å; I172-K175 HydrophobicContact CG1-CD 4.39Å; I172-K175 WeakPolarHBondContact O-CB 3.32Å; I172-K175 PolarHBondContact O-N 3.23Å; I172-V178 HydrophobicContact CG2-CG2 3.89Å; I172-V178 WeakPolarHBondContact O-CG2 3.44Å
173	Q	64.3	Low	76.9	Confident	83 Å²	83	73.3 Å²	73.3	39%	0.388	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-34.6	-174	-76.7	179.4	17.6	0	0	116	F104 L108 L169 E170	F104-Q173 HydrophobicContact CD1-CG 4.23Å; F104-Q173 HydrophobicContact CE1-CG 3.69Å; L108-Q173 HydrophobicContact CD1-CG 4.15Å; L108-Q173 VanDerWaalsContact CD1-NE2 3.29Å; L169-Q173 PolarHBondContact O-N 3.08Å; E170-Q173 WeakPolarHBondContact O-CB 3.15Å; E170-Q173 VanDerWaalsContact O-CG 3.28Å; E170-Q173 WeakPolarHBondContact O-CG 3.06Å; E170-Q173 PolarHBondContact O-N 2.86Å
174	T	63.4	Low	76.3	Confident	132 Å²	132	76.2 Å²	76.2	81%	0.81	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.9	-176.5	55.9	0	0	0	0	113.9	I172	I172-T174 PolarHBondContact O-N 3.02Å
175	K	68.4	Low	75.8	Confident	119 Å²	119	73.5 Å²	73.5	52%	0.517	38%	0.377	S	S	.	.	S	Bend	trans	-86.4	154	-176.5	-58.4	-173.1	-179.3	-176.8	0	111.6	I172 P177 V178	I172-K175 HydrophobicContact CG1-CD 4.39Å; I172-K175 WeakPolarHBondContact O-CB 3.32Å; I172-K175 PolarHBondContact O-N 3.23Å; K175-P177 VanDerWaalsContact C-N 3.32Å; K175-P177 VanDerWaalsContact O-N 3.16Å; K175-V178 PolarHBondContact O-N 3.25Å
176	R	70.4	Confident	75.5	Confident	187 Å²	187	75 Å²	75	71%	0.706	38%	0.378	S	S	*	.	H	α-helix	trans	-46.2	-42.2	179	179.5	-179.2	-86.1	172.4	-10.7	114.2	V178 S179 D180	R176-V178 PolarHBondContact O-N 2.9Å; R176-S179 WeakPolarHBondContact CA-OG 3.18Å; R176-S179 PolarHBondContact O-N 3.23Å; R176-S179 PolarHBondContact O-OG 3.24Å; R176-D180 WeakPolarHBondContact CG-OD1 3.42Å; R176-D180 WeakPolarHBondContact CG-OD2 3.42Å; R176-D180 PolarHBondContact O-N 3.2Å; R176-D180 VanDerWaalsContact O-OD1 3.07Å
177	P	73.6	Confident	75.2	Confident	67 Å²	67	76.8 Å²	76.8	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-55	-31.8	177.6	-29.1	37.1	0	0	0	114.9	K175 D180 M181	K175-P177 VanDerWaalsContact C-N 3.32Å; K175-P177 VanDerWaalsContact O-N 3.16Å; P177-D180 PolarHBondContact O-N 2.95Å; P177-M181 VanDerWaalsContact O-CG 3.29Å; P177-M181 WeakPolarHBondContact O-CG 3.23Å; P177-M181 PolarHBondContact O-N 3.17Å
178	V	71.9	Confident	75	Confident	16 Å²	16	81.7 Å²	81.7	10%	0.097	40%	0.401	C	S	.	.	H	α-helix	trans	-75.9	-36.5	178.4	177.3	0	0	0	0	111.6	F104 I172 K175 R176 D180 A182	F104-V178 HydrophobicContact CB-CG1 3.83Å; F104-V178 HydrophobicContact CD1-CG1 3.78Å; F104-V178 HydrophobicContact CD1-CG2 3.91Å; F104-V178 HydrophobicContact CD2-CG2 4Å; F104-V178 HydrophobicContact CE1-CG2 3.98Å; F104-V178 HydrophobicContact CE2-CG2 4.07Å; F104-V178 HydrophobicContact CG-CB 4.47Å; F104-V178 HydrophobicContact CG-CG1 3.83Å; F104-V178 HydrophobicContact CG-CG2 3.92Å; F104-V178 HydrophobicContact CZ-CG2 4.05Å; I172-V178 HydrophobicContact CG2-CG2 3.89Å; I172-V178 WeakPolarHBondContact O-CG2 3.44Å; K175-V178 PolarHBondContact O-N 3.25Å; R176-V178 PolarHBondContact O-N 2.9Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-A182 PolarHBondContact O-N 2.72Å
179	S	73.4	Confident	75.1	Confident	60 Å²	60	81.8 Å²	81.8	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-65.9	-36.1	168.9	53.4	0	0	0	0	111.6	R176 A182 F183	R176-S179 WeakPolarHBondContact CA-OG 3.18Å; R176-S179 PolarHBondContact O-N 3.23Å; R176-S179 PolarHBondContact O-OG 3.24Å; S179-A182 WeakPolarHBondContact O-CB 3.29Å; S179-A182 PolarHBondContact O-N 3.46Å; S179-F183 VanDerWaalsContact O-CB 3.31Å; S179-F183 WeakPolarHBondContact O-CB 3.43Å; S179-F183 PolarHBondContact O-N 3.38Å
180	D	75.1	Confident	75.2	Confident	76 Å²	76	82.4 Å²	82.4	41%	0.406	41%	0.407	S	S	.	.	H	α-helix	trans	-70.6	-40.3	-178.2	-55.5	-15.8	0	0	0	111.4	R176 P177 V178 A182 F183 S184	R176-D180 WeakPolarHBondContact CG-OD1 3.42Å; R176-D180 WeakPolarHBondContact CG-OD2 3.42Å; R176-D180 PolarHBondContact O-N 3.2Å; R176-D180 VanDerWaalsContact O-OD1 3.07Å; P177-D180 PolarHBondContact O-N 2.95Å; V178-D180 VanDerWaalsContact C-N 3.31Å; D180-A182 VanDerWaalsContact C-N 3.29Å; D180-A182 PolarHBondContact O-N 3.4Å; D180-F183 PolarHBondContact O-N 3.29Å; D180-S184 WeakPolarHBondContact O-CB 3.24Å; D180-S184 PolarHBondContact O-N 2.87Å
181	M	74.2	Confident	75.4	Confident	90 Å²	90	80.3 Å²	80.3	44%	0.443	40%	0.398	S	S	.	.	H	α-helix	trans	-59.2	-40.6	170.5	-71	-179.5	-164.4	0	0	111.8	P103 F104 P177 K185	P103-M181 HydrophobicContact CG-CB 3.98Å; P103-M181 VanDerWaalsContact CG-O 3.3Å; P103-M181 WeakPolarHBondContact CG-O 3.36Å; F104-M181 HydrophobicContact CB-SD 4.4Å; F104-M181 HydrophobicContact CD2-CE 4.43Å; F104-M181 HydrophobicContact CD2-SD 3.82Å; P177-M181 VanDerWaalsContact O-CG 3.29Å; P177-M181 WeakPolarHBondContact O-CG 3.23Å; P177-M181 PolarHBondContact O-N 3.17Å; M181-K185 PolarHBondContact O-N 3.34Å; M181-K185 VanDerWaalsContact O-N 3.16Å
182	A	77.2	Confident	75.7	Confident	4 Å²	4	83 Å²	83	3%	0.033	41%	0.405	C	S	.	.	H	α-helix	trans	-68.7	-48	176.5	0	0	0	0	0	111.6	T102 V178 S179 D180 S184 K185 F186	T102-A182 HydrophobicContact CG2-CB 3.96Å; V178-A182 PolarHBondContact O-N 2.72Å; S179-A182 WeakPolarHBondContact O-CB 3.29Å; S179-A182 PolarHBondContact O-N 3.46Å; D180-A182 VanDerWaalsContact C-N 3.29Å; D180-A182 PolarHBondContact O-N 3.4Å; A182-S184 PolarHBondContact O-N 3.13Å; A182-K185 PolarHBondContact O-N 3Å; A182-F186 HydrophobicContact CB-CD2 4.38Å; A182-F186 HydrophobicContact CB-CE2 4.1Å; A182-F186 WeakPolarHBondContact O-CD2 3.48Å; A182-F186 WeakPolarHBondContact O-CG 3.31Å; A182-F186 PolarHBondContact O-N 3.34Å
183	F	78.6	Confident	76.1	Confident	89 Å²	89	84.4 Å²	84.4	39%	0.39	41%	0.411	S	S	.	.	H	α-helix	trans	-57.6	-48.2	176.9	177.5	-105	0	0	0	111.6	S179 D180 K185 F186 K187	S179-F183 VanDerWaalsContact O-CB 3.31Å; S179-F183 WeakPolarHBondContact O-CB 3.43Å; S179-F183 PolarHBondContact O-N 3.38Å; D180-F183 PolarHBondContact O-N 3.29Å; F183-K185 VanDerWaalsContact C-N 3.34Å; F183-K185 PolarHBondContact O-N 3.46Å; F183-F186 PolarHBondContact O-N 3.49Å; F183-F186 VanDerWaalsContact O-N 3.16Å; F183-K187 HydrophobicContact CE1-CD 4.42Å; F183-K187 VanDerWaalsContact O-CB 3.28Å; F183-K187 WeakPolarHBondContact O-CB 3.44Å; F183-K187 PolarHBondContact O-N 3.37Å
184	S	76	Confident	77.1	Confident	76 Å²	76	81 Å²	81	53%	0.531	40%	0.395	S	S	.	.	H	α-helix	trans	-57.6	-43.6	175.1	-179	0	0	0	0	112.1	D180 A182 R188	D180-S184 WeakPolarHBondContact O-CB 3.24Å; D180-S184 PolarHBondContact O-N 2.87Å; A182-S184 PolarHBondContact O-N 3.13Å; S184-R188 WeakPolarHBondContact O-CB 3.38Å; S184-R188 PolarHBondContact O-N 2.93Å
185	K	77.1	Confident	77.9	Confident	44 Å²	44	79.3 Å²	79.3	19%	0.191	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-46	173.9	-174.1	-179.1	-178.2	179.3	0	112	V101 P103 M181 A182 F183 R188 L189	V101-K185 PolarHBondContact O-NZ 3.14Å; P103-K185 HydrophobicContact CB-CD 4.14Å; P103-K185 HydrophobicContact CG-CB 4.14Å; P103-K185 HydrophobicContact CG-CD 3.98Å; M181-K185 PolarHBondContact O-N 3.34Å; M181-K185 VanDerWaalsContact O-N 3.16Å; A182-K185 PolarHBondContact O-N 3Å; F183-K185 VanDerWaalsContact C-N 3.34Å; F183-K185 PolarHBondContact O-N 3.46Å; K185-R188 PolarHBondContact O-N 3.3Å; K185-L189 HydrophobicContact CG-CD1 4.17Å; K185-L189 VanDerWaalsContact O-CG 3.3Å; K185-L189 WeakPolarHBondContact O-CG 3.4Å; K185-L189 PolarHBondContact O-N 3.39Å
186	F	81.3	Confident	78.6	Confident	86 Å²	86	77.6 Å²	77.6	38%	0.377	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-46.4	178.9	-71.6	-56.2	0	0	0	111.9	I100 A182 F183 R188 L189 L190	I100-F186 HydrophobicContact CB-CE1 4.45Å; I100-F186 HydrophobicContact CG2-CD1 4.39Å; I100-F186 HydrophobicContact CG2-CE1 3.65Å; I100-F186 HydrophobicContact CG2-CZ 4.39Å; A182-F186 HydrophobicContact CB-CD2 4.38Å; A182-F186 HydrophobicContact CB-CE2 4.1Å; A182-F186 WeakPolarHBondContact O-CD2 3.48Å; A182-F186 WeakPolarHBondContact O-CG 3.31Å; A182-F186 PolarHBondContact O-N 3.34Å; F183-F186 PolarHBondContact O-N 3.49Å; F183-F186 VanDerWaalsContact O-N 3.16Å; F186-R188 PolarHBondContact O-N 2.88Å; F186-L189 PolarHBondContact O-N 3.43Å; F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.4Å
187	K	80.2	Confident	79.3	Confident	49 Å²	49	72.4 Å²	72.4	21%	0.213	37%	0.367	C	S	.	.	H	α-helix	trans	-58	-45.2	174.3	166.6	173.9	164.4	-151.9	0	112	F183 L189 L190 N191 L216 T218	F183-K187 HydrophobicContact CE1-CD 4.42Å; F183-K187 VanDerWaalsContact O-CB 3.28Å; F183-K187 WeakPolarHBondContact O-CB 3.44Å; F183-K187 PolarHBondContact O-N 3.37Å; K187-L189 PolarHBondContact O-N 3.31Å; K187-L190 PolarHBondContact O-N 3.18Å; K187-N191 WeakPolarHBondContact O-CB 3.33Å; K187-N191 PolarHBondContact O-N 3.22Å; K187-L216 HydrophobicContact CB-CD2 3.88Å; K187-L216 HydrophobicContact CD-CD2 4.37Å; K187-L216 HydrophobicContact CG-CD1 4.49Å; K187-L216 HydrophobicContact CG-CD2 3.77Å; K187-T218 WeakPolarHBondContact CE-OG1 3.45Å; K187-T218 VanDerWaalsContact NZ-CG2 3.3Å; K187-T218 PolarHBondContact NZ-OG1 3.03Å
188	R	80.2	Confident	79.5	Confident	185 Å²	185	69.6 Å²	69.6	70%	0.698	35%	0.35	S	S	*	.	H	α-helix	trans	-65.1	-38.7	177.1	-169.6	179.7	69.5	158.9	0.3	112.4	S184 K185 F186 K192	S184-R188 WeakPolarHBondContact O-CB 3.38Å; S184-R188 PolarHBondContact O-N 2.93Å; K185-R188 PolarHBondContact O-N 3.3Å; F186-R188 PolarHBondContact O-N 2.88Å; R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 3.06Å; R188-K192 VanDerWaalsContact O-N 3.15Å
189	L	82.2	Confident	79.9	Confident	69 Å²	69	76.9 Å²	76.9	36%	0.361	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-46.1	173.9	-72.3	169.7	0	0	0	111	I100 K185 F186 K187 K192 E193	I100-L189 HydrophobicContact CG2-CD1 4.48Å; K185-L189 HydrophobicContact CG-CD1 4.17Å; K185-L189 VanDerWaalsContact O-CG 3.3Å; K185-L189 WeakPolarHBondContact O-CG 3.4Å; K185-L189 PolarHBondContact O-N 3.39Å; F186-L189 PolarHBondContact O-N 3.43Å; K187-L189 PolarHBondContact O-N 3.31Å; L189-K192 PolarHBondContact O-N 3.21Å; L189-E193 WeakPolarHBondContact O-CG 3.5Å; L189-E193 PolarHBondContact O-N 3.02Å
190	L	82.9	Confident	80.2	Confident	61 Å²	61	77 Å²	77	32%	0.319	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-48.6	178.5	-174.3	58.2	0	0	0	111.3	F186 K187 K192 E193 L194 I211 L216	F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.4Å; K187-L190 PolarHBondContact O-N 3.18Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.23Å; L190-E193 PolarHBondContact O-N 2.88Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CD2 4.35Å; L190-L194 HydrophobicContact CD1-CG 3.9Å; L190-L194 HydrophobicContact CD2-CD1 4.42Å; L190-L194 HydrophobicContact CG-CD1 3.77Å; L190-L194 HydrophobicContact CG-CG 4.09Å; L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 2.91Å; L190-I211 HydrophobicContact CD2-CG2 4.28Å; L190-L216 HydrophobicContact CD2-CD1 4.23Å; L190-L216 HydrophobicContact CD2-CD2 3.92Å; L190-L216 HydrophobicContact CD2-CG 4.15Å; L190-L216 HydrophobicContact CG-CD1 4.38Å
191	N	80.5	Confident	80.7	Confident	42 Å²	42	76.4 Å²	76.4	23%	0.225	38%	0.384	C	S	.	.	H	α-helix	trans	-54.5	-40.5	174	-87.5	-10.6	0	0	0	112.8	K187 N195 L216	K187-N191 WeakPolarHBondContact O-CB 3.33Å; K187-N191 PolarHBondContact O-N 3.22Å; N191-N195 VanDerWaalsContact O-CB 3.32Å; N191-N195 WeakPolarHBondContact O-CB 3.39Å; N191-N195 PolarHBondContact O-N 2.79Å; N191-N195 PolarHBondContact O-ND2 3.16Å; N191-L216 WeakPolarHBondContact OD1-CD1 3.38Å
192	K	84	Confident	81.3	Confident	150 Å²	150	81 Å²	81	65%	0.652	40%	0.402	S	S	*	.	H	α-helix	trans	-65.4	-46.8	178.5	-172.2	-171.8	175.3	-167.2	0	111.9	R188 L189 L190 S196	R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 3.06Å; R188-K192 VanDerWaalsContact O-N 3.15Å; L189-K192 PolarHBondContact O-N 3.21Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.23Å; K192-S196 PolarHBondContact O-N 2.92Å; K192-S196 VanDerWaalsContact O-N 3.16Å
193	E	84.2	Confident	81.9	Confident	88 Å²	88	83.8 Å²	83.8	41%	0.411	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-41.4	177.8	-65.3	-62.2	137.5	0	0	111.4	L189 L190 S196 F197	L189-E193 WeakPolarHBondContact O-CG 3.5Å; L189-E193 PolarHBondContact O-N 3.02Å; L190-E193 PolarHBondContact O-N 2.88Å; E193-S196 PolarHBondContact O-N 3.47Å; E193-F197 WeakPolarHBondContact O-CB 3.24Å; E193-F197 PolarHBondContact O-N 2.97Å
194	L	84.4	Confident	82.3	Confident	11 Å²	11	84.1 Å²	84.1	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-64.7	-45.5	178.6	-73.7	-175.9	0	0	0	112.3	L190 S196 F197 G198 S208 I211 C212	L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CD2 4.35Å; L190-L194 HydrophobicContact CD1-CG 3.9Å; L190-L194 HydrophobicContact CD2-CD1 4.42Å; L190-L194 HydrophobicContact CG-CD1 3.77Å; L190-L194 HydrophobicContact CG-CG 4.09Å; L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 VanDerWaalsContact O-CG 3.26Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 2.91Å; L194-S196 PolarHBondContact O-N 3.2Å; L194-F197 PolarHBondContact O-N 3.29Å; L194-F197 VanDerWaalsContact O-N 3.13Å; L194-G198 PolarHBondContact O-N 3.06Å; L194-S208 WeakPolarHBondContact CB-OG 3.44Å; L194-S208 PolarHBondContact O-OG 3.14Å; L194-I211 HydrophobicContact CD1-CB 4.01Å; L194-I211 HydrophobicContact CD1-CG2 3.68Å; L194-I211 HydrophobicContact CD2-CB 4.2Å; L194-I211 HydrophobicContact CD2-CD1 3.96Å; L194-I211 HydrophobicContact CD2-CG2 4.16Å; L194-C212 VanDerWaalsContact CD1-SG 3.6Å
195	N	80.2	Confident	82.9	Confident	96 Å²	96	86.1 Å²	86.1	51%	0.513	42%	0.42	S	S	.	.	H	α-helix	trans	-59	-48.2	174.1	-72.9	-10	0	0	0	111.2	N191 F197 G198 E199	N191-N195 VanDerWaalsContact O-CB 3.32Å; N191-N195 WeakPolarHBondContact O-CB 3.39Å; N191-N195 PolarHBondContact O-N 2.79Å; N191-N195 PolarHBondContact O-ND2 3.16Å; N195-F197 PolarHBondContact O-N 2.98Å; N195-G198 PolarHBondContact O-N 3.23Å; N195-E199 PolarHBondContact O-N 3.02Å
196	S	83.3	Confident	83.4	Confident	84 Å²	84	90.8 Å²	90.8	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-64.6	-26.8	176.8	-173.7	0	0	0	0	113.6	K192 E193 L194	K192-S196 PolarHBondContact O-N 2.92Å; K192-S196 VanDerWaalsContact O-N 3.16Å; E193-S196 PolarHBondContact O-N 3.47Å; L194-S196 PolarHBondContact O-N 3.2Å
197	F	84	Confident	83.8	Confident	78 Å²	78	90.4 Å²	90.4	34%	0.342	44%	0.444	S	S	.	.	H	α-helix	trans	-80.6	-42.4	177.7	178.2	-104	0	0	0	111.9	E193 L194 N195 E199 A200 R204 I207	E193-F197 WeakPolarHBondContact O-CB 3.24Å; E193-F197 PolarHBondContact O-N 2.97Å; L194-F197 PolarHBondContact O-N 3.29Å; L194-F197 VanDerWaalsContact O-N 3.13Å; N195-F197 PolarHBondContact O-N 2.98Å; F197-E199 VanDerWaalsContact C-N 3.33Å; F197-E199 PolarHBondContact O-N 3.09Å; F197-A200 PolarHBondContact O-N 3.16Å; F197-R204 HydrophobicContact CD1-CB 3.82Å; F197-R204 HydrophobicContact CD1-CG 4.29Å; F197-R204 HydrophobicContact CD2-CG 4.49Å; F197-R204 HydrophobicContact CE1-CB 3.58Å; F197-R204 HydrophobicContact CE1-CG 3.75Å; F197-R204 HydrophobicContact CE2-CG 3.97Å; F197-R204 HydrophobicContact CG-CB 4.4Å; F197-R204 HydrophobicContact CZ-CB 3.97Å; F197-R204 HydrophobicContact CZ-CG 3.58Å; F197-R204 VanDerWaalsContact O-CB 3.29Å; F197-R204 WeakPolarHBondContact O-CB 3.48Å; F197-R204 VanDerWaalsContact O-CD 3.23Å; F197-R204 WeakPolarHBondContact O-CD 3.41Å; F197-I207 HydrophobicContact CE1-CB 4.17Å; F197-I207 HydrophobicContact CE1-CG2 3.95Å
198	G	78	Confident	84.2	Confident	7 Å²	7	88.4 Å²	88.4	7%	0.072	44%	0.436	C	S	.	.	H	α-helix	trans	-67.6	-26.9	-176.6	0	0	0	0	0	114.4	L194 N195 A200	L194-G198 PolarHBondContact O-N 3.06Å; N195-G198 PolarHBondContact O-N 3.23Å; G198-A200 PolarHBondContact O-N 2.9Å
199	E	80.7	Confident	84.3	Confident	169 Å²	169	81.8 Å²	81.8	79%	0.79	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.5	176.6	-76.7	178.2	-177.9	0	0	114	N195 F197	N195-E199 PolarHBondContact O-N 3.02Å; F197-E199 VanDerWaalsContact C-N 3.33Å; F197-E199 PolarHBondContact O-N 3.09Å
200	A	79.5	Confident	84.6	Confident	63 Å²	63	85.3 Å²	85.3	52%	0.521	43%	0.431	S	S	.	.	S	Bend	trans	-78.4	-32.8	-166.9	0	0	0	0	0	114.8	F197 G198	F197-A200 PolarHBondContact O-N 3.16Å; G198-A200 PolarHBondContact O-N 2.9Å
201	D	85.4	Confident	84.8	Confident	64 Å²	64	84.5 Å²	84.5	34%	0.342	43%	0.426	S	S	.	.			trans	-162.2	164.6	171.2	69.2	66.9	0	0	0	113	S203 R204 H205	D201-S203 VanDerWaalsContact C-N 3.26Å; D201-S203 PolarHBondContact O-N 3Å; D201-S203 WeakPolarHBondContact OD1-CA 3.37Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.37Å; D201-S203 PolarHBondContact OD1-N 3.12Å; D201-S203 PolarHBondContact OD1-OG 3.29Å; D201-R204 PolarHBondContact O-N 3.18Å; D201-R204 PolarHBondContact OD1-N 3.09Å; D201-R204 VanDerWaalsContact OD2-CD 3.27Å; D201-R204 WeakPolarHBondContact OD2-CD 3.24Å; D201-R204 WeakPolarHBondContact OD2-CG 3.48Å; D201-R204 IonicContact OD2-CZ 2.77Å; D201-R204 IonicContact OD2-NE 3.47Å; D201-R204 PolarHBondContact OD2-NE 3.42Å; D201-H205 PolarHBondContact O-N 3.03Å
202	K	87.3	Confident	84.8	Confident	185 Å²	185	82.6 Å²	82.6	80%	0.804	42%	0.416	S	S	*	.	H	α-helix	trans	-59.6	-30.5	-178.4	-68.3	-173	178.9	-176.3	0	114.1	Q206	K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.37Å
203	S	89.5	Confident	84.7	Confident	64 Å²	64	81.6 Å²	81.6	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-75.7	-38.6	179.7	75	0	0	0	0	111	D201 Q206 I207	D201-S203 VanDerWaalsContact C-N 3.26Å; D201-S203 PolarHBondContact O-N 3Å; D201-S203 WeakPolarHBondContact OD1-CA 3.37Å; D201-S203 VanDerWaalsContact OD1-CB 3.32Å; D201-S203 WeakPolarHBondContact OD1-CB 3.37Å; D201-S203 PolarHBondContact OD1-N 3.12Å; D201-S203 PolarHBondContact OD1-OG 3.29Å; S203-Q206 PolarHBondContact O-N 2.86Å; S203-I207 VanDerWaalsContact O-CG1 3.3Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 3.07Å
204	R	88.2	Confident	84.8	Confident	96 Å²	96	80.9 Å²	80.9	36%	0.362	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-37.9	172	-63.7	176.5	-166	-141.2	-0.5	112.3	F197 D201 Q206 I207 S208	F197-R204 HydrophobicContact CD1-CB 3.82Å; F197-R204 HydrophobicContact CD1-CG 4.29Å; F197-R204 HydrophobicContact CD2-CG 4.49Å; F197-R204 HydrophobicContact CE1-CB 3.58Å; F197-R204 HydrophobicContact CE1-CG 3.75Å; F197-R204 HydrophobicContact CE2-CG 3.97Å; F197-R204 HydrophobicContact CG-CB 4.4Å; F197-R204 HydrophobicContact CZ-CB 3.97Å; F197-R204 HydrophobicContact CZ-CG 3.58Å; F197-R204 VanDerWaalsContact O-CB 3.29Å; F197-R204 WeakPolarHBondContact O-CB 3.48Å; F197-R204 VanDerWaalsContact O-CD 3.23Å; F197-R204 WeakPolarHBondContact O-CD 3.41Å; D201-R204 PolarHBondContact O-N 3.18Å; D201-R204 PolarHBondContact OD1-N 3.09Å; D201-R204 VanDerWaalsContact OD2-CD 3.27Å; D201-R204 WeakPolarHBondContact OD2-CD 3.24Å; D201-R204 WeakPolarHBondContact OD2-CG 3.48Å; D201-R204 IonicContact OD2-CZ 2.77Å; D201-R204 IonicContact OD2-NE 3.47Å; D201-R204 PolarHBondContact OD2-NE 3.42Å; R204-Q206 VanDerWaalsContact C-N 3.35Å; R204-I207 PolarHBondContact O-N 3.35Å; R204-S208 VanDerWaalsContact O-CB 3.25Å; R204-S208 WeakPolarHBondContact O-CB 3.41Å; R204-S208 PolarHBondContact O-N 2.95Å
205	H	88	Confident	84.8	Confident	117 Å²	117	86.4 Å²	86.4	54%	0.542	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-43.3	173.2	-172	72.7	0	0	0	111.7	D201 S208 A209	D201-H205 PolarHBondContact O-N 3.03Å; H205-S208 WeakPolarHBondContact O-CB 3.43Å; H205-S208 PolarHBondContact O-N 2.91Å; H205-A209 WeakPolarHBondContact O-CB 3.5Å; H205-A209 PolarHBondContact O-N 2.95Å
206	Q	88.4	Confident	84.5	Confident	143 Å²	143	82.5 Å²	82.5	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-63.4	-42.1	174.1	-73.5	175.1	-19.7	0	0	112.8	K202 S203 R204 S208 Y210	K202-Q206 WeakPolarHBondContact O-CG 3.47Å; K202-Q206 PolarHBondContact O-N 3.37Å; S203-Q206 PolarHBondContact O-N 2.86Å; R204-Q206 VanDerWaalsContact C-N 3.35Å; Q206-S208 VanDerWaalsContact C-N 3.34Å; Q206-Y210 WeakPolarHBondContact O-CB 3.43Å; Q206-Y210 PolarHBondContact O-N 3.23Å
207	I	89.5	Confident	83.6	Confident	78 Å²	78	85.8 Å²	85.8	40%	0.4	42%	0.424	S	S	.	.	H	α-helix	trans	-63.8	-41.9	175.1	-67.7	161.9	0	0	0	110.6	F197 S203 R204 Y210 I211	F197-I207 HydrophobicContact CE1-CB 4.17Å; F197-I207 HydrophobicContact CE1-CG2 3.95Å; S203-I207 VanDerWaalsContact O-CG1 3.3Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 3.07Å; R204-I207 PolarHBondContact O-N 3.35Å; I207-Y210 PolarHBondContact O-N 2.88Å; I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 HydrophobicContact CG2-CG1 4.47Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.47Å; I207-I211 PolarHBondContact O-N 3.14Å
208	S	86.9	Confident	82.5	Confident	7 Å²	7	83.5 Å²	83.5	5%	0.049	42%	0.417	C	S	.	.	H	α-helix	trans	-59.8	-52	176.8	-173.4	0	0	0	0	111.3	L194 R204 H205 Q206 Y210 I211 C212	L194-S208 WeakPolarHBondContact CB-OG 3.44Å; L194-S208 PolarHBondContact O-OG 3.14Å; R204-S208 VanDerWaalsContact O-CB 3.25Å; R204-S208 WeakPolarHBondContact O-CB 3.41Å; R204-S208 PolarHBondContact O-N 2.95Å; H205-S208 WeakPolarHBondContact O-CB 3.43Å; H205-S208 PolarHBondContact O-N 2.91Å; Q206-S208 VanDerWaalsContact C-N 3.34Å; S208-Y210 VanDerWaalsContact C-N 3.35Å; S208-Y210 PolarHBondContact O-N 3.48Å; S208-I211 PolarHBondContact O-N 3.02Å; S208-C212 PolarHBondContact O-N 3.22Å; S208-C212 PolarHBondContact O-SG 2.98Å
209	A	83.7	Confident	81.5	Confident	45 Å²	45	87.5 Å²	87.5	37%	0.372	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-42.8	177.6	0	0	0	0	0	112.1	H205 I211 C212 E213	H205-A209 WeakPolarHBondContact O-CB 3.5Å; H205-A209 PolarHBondContact O-N 2.95Å; A209-I211 PolarHBondContact O-N 2.88Å; A209-C212 PolarHBondContact O-N 3.14Å; A209-E213 WeakPolarHBondContact O-CB 3.46Å; A209-E213 PolarHBondContact O-N 3.48Å
210	Y	87.5	Confident	80.5	Confident	144 Å²	144	84.5 Å²	84.5	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-60.6	-42.5	174.7	170.6	-101.8	0	0	0	112.5	Q206 I207 S208 T214	Q206-Y210 WeakPolarHBondContact O-CB 3.43Å; Q206-Y210 PolarHBondContact O-N 3.23Å; I207-Y210 PolarHBondContact O-N 2.88Å; S208-Y210 VanDerWaalsContact C-N 3.35Å; S208-Y210 PolarHBondContact O-N 3.48Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.3Å; Y210-T214 PolarHBondContact O-N 3.01Å; Y210-T214 PolarHBondContact O-OG1 3.48Å
211	I	87.7	Confident	79.9	Confident	43 Å²	43	84 Å²	84	22%	0.221	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-42.2	178.9	-64.4	166.1	0	0	0	110.6	L190 L194 I207 S208 A209 F215	L190-I211 HydrophobicContact CD2-CG2 4.28Å; L194-I211 HydrophobicContact CD1-CB 4.01Å; L194-I211 HydrophobicContact CD1-CG2 3.68Å; L194-I211 HydrophobicContact CD2-CB 4.2Å; L194-I211 HydrophobicContact CD2-CD1 3.96Å; L194-I211 HydrophobicContact CD2-CG2 4.16Å; I207-I211 HydrophobicContact CG2-CD1 3.77Å; I207-I211 HydrophobicContact CG2-CG1 4.47Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.47Å; I207-I211 PolarHBondContact O-N 3.14Å; S208-I211 PolarHBondContact O-N 3.02Å; A209-I211 PolarHBondContact O-N 2.88Å; I211-F215 HydrophobicContact CB-CD2 4.4Å; I211-F215 HydrophobicContact CG2-CD2 3.92Å; I211-F215 WeakPolarHBondContact O-CB 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.45Å; I211-F215 PolarHBondContact O-N 2.84Å
212	C	81.2	Confident	79.1	Confident	2 Å²	2	84.4 Å²	84.4	1%	0.014	41%	0.411	C	S	.	.	H	α-helix	trans	-57	-56.9	173.1	-73.2	0	0	0	0	111.2	L194 S208 A209 T214 L216 E219	L194-C212 VanDerWaalsContact CD1-SG 3.6Å; S208-C212 PolarHBondContact O-N 3.22Å; S208-C212 PolarHBondContact O-SG 2.98Å; A209-C212 PolarHBondContact O-N 3.14Å; C212-T214 VanDerWaalsContact C-N 3.28Å; C212-T214 PolarHBondContact O-N 3.35Å; C212-L216 WeakPolarHBondContact O-CA 3.35Å; C212-L216 WeakPolarHBondContact O-CB 3.31Å; C212-L216 PolarHBondContact O-N 2.78Å; C212-L216 VanDerWaalsContact O-O 3.14Å; C212-E219 HydrophobicContact CB-CG 4.49Å; C212-E219 VanDerWaalsContact CB-OE1 3.28Å; C212-E219 WeakPolarHBondContact CB-OE1 3.49Å; C212-E219 PolarHBondContact SG-OE1 3.1Å
213	E	81.5	Confident	78.3	Confident	130 Å²	130	80.8 Å²	80.8	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-63.9	-30.5	-176.2	-177.2	166.8	-144.9	0	0	113.3	A209 K220	A209-E213 WeakPolarHBondContact O-CB 3.46Å; A209-E213 PolarHBondContact O-N 3.48Å; E213-K220 IonicContact OE1-NZ 2.81Å; E213-K220 PolarHBondContact OE1-NZ 3.04Å
214	T	85.5	Confident	77.6	Confident	73 Å²	73	78 Å²	78	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-88.8	-34.2	-176.5	-52.7	0	0	0	0	113.7	Y210 C212	Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.3Å; Y210-T214 PolarHBondContact O-N 3.01Å; Y210-T214 PolarHBondContact O-OG1 3.48Å; C212-T214 VanDerWaalsContact C-N 3.28Å; C212-T214 PolarHBondContact O-N 3.35Å
215	F	84.4	Confident	77.2	Confident	127 Å²	127	75.4 Å²	75.4	56%	0.557	37%	0.371	S	S	*	.	H	α-helix	trans	-119.8	-7	-169.9	-58.8	-80.5	0	0	0	114.6	I211	I211-F215 HydrophobicContact CB-CD2 4.4Å; I211-F215 HydrophobicContact CG2-CD2 3.92Å; I211-F215 WeakPolarHBondContact O-CB 3.31Å; I211-F215 WeakPolarHBondContact O-CD2 3.45Å; I211-F215 PolarHBondContact O-N 2.84Å
216	L	74.8	Confident	76.8	Confident	13 Å²	13	75.6 Å²	75.6	7%	0.068	37%	0.372	C	S	.	.			trans	-122.1	108.3	178.4	-60.3	-178.7	0	0	0	110.6	K187 L190 N191 C212 T218	K187-L216 HydrophobicContact CB-CD2 3.88Å; K187-L216 HydrophobicContact CD-CD2 4.37Å; K187-L216 HydrophobicContact CG-CD1 4.49Å; K187-L216 HydrophobicContact CG-CD2 3.77Å; L190-L216 HydrophobicContact CD2-CD1 4.23Å; L190-L216 HydrophobicContact CD2-CD2 3.92Å; L190-L216 HydrophobicContact CD2-CG 4.15Å; L190-L216 HydrophobicContact CG-CD1 4.38Å; N191-L216 WeakPolarHBondContact OD1-CD1 3.38Å; C212-L216 WeakPolarHBondContact O-CA 3.35Å; C212-L216 WeakPolarHBondContact O-CB 3.31Å; C212-L216 PolarHBondContact O-N 2.78Å; C212-L216 VanDerWaalsContact O-O 3.14Å; L216-T218 PolarHBondContact O-N 2.93Å
217	E	64.5	Low	76.5	Confident	153 Å²	153	70.3 Å²	70.3	72%	0.715	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	12.2	-169.8	-61.6	177.4	143.5	0	0	115.6
218	T	60.8	Low	76.1	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.184	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.1	1.6	-154.5	-23.1	0	0	0	0	118.3	K187 L216 K220 D221 V222	K187-T218 WeakPolarHBondContact CE-OG1 3.45Å; K187-T218 VanDerWaalsContact NZ-CG2 3.3Å; K187-T218 PolarHBondContact NZ-OG1 3.03Å; L216-T218 PolarHBondContact O-N 2.93Å; T218-K220 VanDerWaalsContact C-N 3.31Å; T218-D221 HydrophobicContact CG2-CB 3.73Å; T218-D221 PolarHBondContact O-N 2.94Å; T218-V222 PolarHBondContact O-N 3.45Å
219	E	56.1	Low	76	Confident	91 Å²	91	69 Å²	69	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-42.4	171.7	-74.1	-172.6	165	0	0	110.8	C212 D221 E223	C212-E219 HydrophobicContact CB-CG 4.49Å; C212-E219 VanDerWaalsContact CB-OE1 3.28Å; C212-E219 WeakPolarHBondContact CB-OE1 3.49Å; C212-E219 PolarHBondContact SG-OE1 3.1Å; E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 3.48Å; E219-E223 PolarHBondContact O-N 3.45Å
220	K	59.8	Low	76	Confident	107 Å²	107	69.3 Å²	69.3	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-34.3	176	-69.7	167.9	-175.1	163.6	0	112.4	E213 T218 T224	E213-K220 IonicContact OE1-NZ 2.81Å; E213-K220 PolarHBondContact OE1-NZ 3.04Å; T218-K220 VanDerWaalsContact C-N 3.31Å; K220-T224 WeakPolarHBondContact O-CB 3.45Å; K220-T224 PolarHBondContact O-N 3.33Å; K220-T224 VanDerWaalsContact O-N 3.07Å; K220-T224 PolarHBondContact O-OG1 3.31Å
221	D	66.4	Low	75.8	Confident	51 Å²	51	63.1 Å²	63.1	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-73	-39.4	-179.3	-74.8	-34.5	0	0	0	113.6	T218 E219 T224 N225 R519	T218-D221 HydrophobicContact CG2-CB 3.73Å; T218-D221 PolarHBondContact O-N 2.94Å; E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 3.48Å; D221-T224 WeakPolarHBondContact O-CB 3.11Å; D221-T224 PolarHBondContact O-N 3.01Å; D221-N225 WeakPolarHBondContact O-CB 3.37Å; D221-N225 PolarHBondContact O-N 3.2Å; D221-N225 PolarHBondContact O-OD1 3.3Å; D221-N225 VanDerWaalsContact O-OD1 3.04Å; D221-R519 PolarHBondContact O-NH1 3Å; D221-R519 VanDerWaalsContact OD1-CD 3.24Å; D221-R519 WeakPolarHBondContact OD1-CD 3.24Å; D221-R519 IonicContact OD1-CZ 3.87Å; D221-R519 IonicContact OD1-NE 3.93Å; D221-R519 IonicContact OD1-NH1 4Å; D221-R519 PolarHBondContact OD1-NH1 2.63Å
222	V	69.3	Low	75.7	Confident	74 Å²	74	61.4 Å²	61.4	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-50.3	177.2	175.4	0	0	0	0	109.9	T218 T224 N225 E226	T218-V222 PolarHBondContact O-N 3.45Å; V222-T224 PolarHBondContact O-N 3.26Å; V222-N225 PolarHBondContact O-N 2.93Å; V222-N225 VanDerWaalsContact O-N 3.17Å; V222-E226 HydrophobicContact CG1-CG 4.48Å; V222-E226 WeakPolarHBondContact O-CG 3.37Å; V222-E226 PolarHBondContact O-N 2.82Å
223	E	70.4	Confident	75.9	Confident	108 Å²	108	67 Å²	67	51%	0.505	33%	0.334	S	S	.	.	H	α-helix	trans	-57.7	-36.5	175.9	-73.3	-169.3	-165.6	0	0	112.6	E219 E227 K512	E219-E223 PolarHBondContact O-N 3.45Å; E223-E227 PolarHBondContact O-N 3.1Å; E223-K512 WeakPolarHBondContact O-CE 3.35Å; E223-K512 PolarHBondContact O-NZ 2.92Å
224	T	74.8	Confident	76.1	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-44.7	178.7	-66.2	0	0	0	0	111	K220 D221 V222 E227 I228 T516 R519	K220-T224 WeakPolarHBondContact O-CB 3.45Å; K220-T224 PolarHBondContact O-N 3.33Å; K220-T224 VanDerWaalsContact O-N 3.07Å; K220-T224 PolarHBondContact O-OG1 3.31Å; D221-T224 WeakPolarHBondContact O-CB 3.11Å; D221-T224 PolarHBondContact O-N 3.01Å; V222-T224 PolarHBondContact O-N 3.26Å; T224-E227 PolarHBondContact O-N 3.2Å; T224-I228 WeakPolarHBondContact O-CG1 3.36Å; T224-I228 PolarHBondContact O-N 2.99Å; T224-T516 HydrophobicContact CG2-CG2 3.61Å; T224-R519 VanDerWaalsContact CG2-CZ 3.47Å
225	N	79.4	Confident	75.8	Confident	42 Å²	42	64.4 Å²	64.4	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-44.4	178	-63.9	0.8	0	0	0	111.2	D221 V222 E227 I228 D229 R519 Y560	D221-N225 WeakPolarHBondContact O-CB 3.37Å; D221-N225 PolarHBondContact O-N 3.2Å; D221-N225 PolarHBondContact O-OD1 3.3Å; D221-N225 VanDerWaalsContact O-OD1 3.04Å; V222-N225 PolarHBondContact O-N 2.93Å; V222-N225 VanDerWaalsContact O-N 3.17Å; N225-E227 PolarHBondContact O-N 2.97Å; N225-I228 WeakPolarHBondContact O-CB 3.48Å; N225-I228 PolarHBondContact O-N 3.25Å; N225-D229 PolarHBondContact O-N 3.05Å; N225-R519 PolarHBondContact OD1-NH1 3.4Å; N225-R519 VanDerWaalsContact OD1-NH1 3.1Å; N225-R519 PolarHBondContact OD1-NH2 3.35Å; N225-Y560 HydrophobicContact CB-CG 4.48Å; N225-Y560 WeakPolarHBondContact OD1-CD1 3.41Å
226	E	79.9	Confident	75.8	Confident	120 Å²	120	63.7 Å²	63.7	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-57.9	-33.6	174.5	-72	175.6	179.9	0	0	112.7	V222 S230	V222-E226 HydrophobicContact CG1-CG 4.48Å; V222-E226 WeakPolarHBondContact O-CG 3.37Å; V222-E226 PolarHBondContact O-N 2.82Å; E226-S230 WeakPolarHBondContact O-CB 3.3Å; E226-S230 PolarHBondContact O-N 2.76Å
227	E	81.8	Confident	76.1	Confident	33 Å²	33	67.3 Å²	67.3	15%	0.154	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-41.1	173.9	-177.9	169.5	-153.9	0	0	111.9	E223 T224 N225 S230 M231 K512 K513	E223-E227 PolarHBondContact O-N 3.1Å; T224-E227 PolarHBondContact O-N 3.2Å; N225-E227 PolarHBondContact O-N 2.97Å; E227-S230 WeakPolarHBondContact O-CB 3.29Å; E227-S230 PolarHBondContact O-N 2.88Å; E227-S230 PolarHBondContact O-OG 3.43Å; E227-M231 WeakPolarHBondContact O-CG 3.48Å; E227-M231 PolarHBondContact O-N 2.93Å; E227-K512 WeakPolarHBondContact OE2-CB 3.38Å; E227-K512 WeakPolarHBondContact OE2-CD 3.41Å; E227-K512 WeakPolarHBondContact OE2-CE 3.39Å; E227-K512 WeakPolarHBondContact OE2-CG 3.28Å; E227-K513 WeakPolarHBondContact OE1-CG 3.41Å; E227-K513 PolarHBondContact OE2-N 3.09Å
228	I	82.3	Confident	76.6	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-47.9	175.5	-60.7	170	0	0	0	110.1	T224 N225 S230 M231 L232 E446 T516 M520 Y560	T224-I228 WeakPolarHBondContact O-CG1 3.36Å; T224-I228 PolarHBondContact O-N 2.99Å; N225-I228 WeakPolarHBondContact O-CB 3.48Å; N225-I228 PolarHBondContact O-N 3.25Å; I228-S230 VanDerWaalsContact C-N 3.27Å; I228-S230 PolarHBondContact O-N 3.2Å; I228-M231 CarbonylContact O-C 3.56Å; I228-M231 WeakPolarHBondContact O-CA 3.4Å; I228-M231 WeakPolarHBondContact O-CB 3.22Å; I228-M231 PolarHBondContact O-N 2.95Å; I228-L232 HydrophobicContact CG2-CD1 4.44Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-E446 HydrophobicContact CG2-CG 3.97Å; I228-E446 VanDerWaalsContact CG2-OE1 3.28Å; I228-E446 WeakPolarHBondContact CG2-OE1 3.31Å; I228-E446 WeakPolarHBondContact CG2-OE2 3.33Å; I228-T516 HydrophobicContact CD1-CG2 3.56Å; I228-T516 HydrophobicContact CG1-CG2 3.39Å; I228-M520 HydrophobicContact CD1-CE 4.37Å; I228-M520 HydrophobicContact CD1-SD 3.81Å; I228-Y560 HydrophobicContact CD1-CD2 3.38Å; I228-Y560 HydrophobicContact CD1-CE2 3.38Å; I228-Y560 HydrophobicContact CD1-CG 4.48Å
229	D	84	Confident	76.7	Confident	56 Å²	56	64.4 Å²	64.4	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-37	177.4	-61.1	-30.9	0	0	0	111.1	N225 M231 L232 E233 R563	N225-D229 PolarHBondContact O-N 3.05Å; D229-M231 VanDerWaalsContact C-N 3.25Å; D229-M231 PolarHBondContact O-N 3.41Å; D229-L232 WeakPolarHBondContact O-CB 3.4Å; D229-L232 PolarHBondContact O-N 3.13Å; D229-E233 PolarHBondContact O-N 3.09Å; D229-R563 IonicContact OD1-CZ 2.75Å; D229-R563 VanDerWaalsContact OD1-CZ 3.24Å; D229-R563 IonicContact OD1-NH1 2.67Å; D229-R563 PolarHBondContact OD1-NH1 3.33Å; D229-R563 IonicContact OD1-NH2 3.03Å; D229-R563 PolarHBondContact OD1-NH2 3.33Å
230	S	84.3	Confident	76.7	Confident	53 Å²	53	64.7 Å²	64.7	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-67.2	-21.4	172.1	88.4	0	0	0	0	114.4	E226 E227 I228 R234	E226-S230 WeakPolarHBondContact O-CB 3.3Å; E226-S230 PolarHBondContact O-N 2.76Å; E227-S230 WeakPolarHBondContact O-CB 3.29Å; E227-S230 PolarHBondContact O-N 2.88Å; E227-S230 PolarHBondContact O-OG 3.43Å; I228-S230 VanDerWaalsContact C-N 3.27Å; I228-S230 PolarHBondContact O-N 3.2Å; S230-R234 PolarHBondContact O-NE 3.46Å; S230-R234 PolarHBondContact O-NH2 3.24Å; S230-R234 PolarHBondContact OG-NH2 2.93Å
231	M	83.9	Confident	76.3	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.064	33%	0.332	C	S	.	.	H	α-helix	trans	-86.4	-38.6	175.4	-74.4	-171.8	55.4	0	0	110.9	E227 I228 D229 R234 R235 F392 L445 K513	E227-M231 WeakPolarHBondContact O-CG 3.48Å; E227-M231 PolarHBondContact O-N 2.93Å; I228-M231 CarbonylContact O-C 3.56Å; I228-M231 WeakPolarHBondContact O-CA 3.4Å; I228-M231 WeakPolarHBondContact O-CB 3.22Å; I228-M231 PolarHBondContact O-N 2.95Å; D229-M231 VanDerWaalsContact C-N 3.25Å; D229-M231 PolarHBondContact O-N 3.41Å; M231-R234 VanDerWaalsContact CG-NH2 3.34Å; M231-R234 PolarHBondContact O-N 3.42Å; M231-R235 PolarHBondContact O-N 3.04Å; M231-F392 HydrophobicContact CE-CE1 4.05Å; M231-F392 HydrophobicContact CE-CZ 4.21Å; M231-L445 HydrophobicContact CE-CB 3.74Å; M231-L445 HydrophobicContact SD-CB 4.23Å; M231-L445 HydrophobicContact SD-CD2 4.2Å; M231-K513 HydrophobicContact SD-CD 4.1Å; M231-K513 WeakPolarHBondContact SD-CE 3.41Å; M231-K513 HydrophobicContact SD-CG 4.5Å
232	L	85.3	Confident	75.7	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-52.9	169.7	-81	167.4	0	0	0	112.2	I228 D229 R234 R235 R236 V441	I228-L232 HydrophobicContact CG2-CD1 4.44Å; I228-L232 PolarHBondContact O-N 3.25Å; D229-L232 WeakPolarHBondContact O-CB 3.4Å; D229-L232 PolarHBondContact O-N 3.13Å; L232-R234 PolarHBondContact O-N 2.86Å; L232-R235 PolarHBondContact O-N 3.49Å; L232-R236 PolarHBondContact O-N 2.87Å; L232-V441 WeakPolarHBondContact CD2-O 3.11Å
233	E	85.1	Confident	74.5	Confident	119 Å²	119	63.6 Å²	63.6	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-63	-32.3	-178	-169.1	58.9	-158	0	0	112	D229 S237	D229-E233 PolarHBondContact O-N 3.09Å; E233-S237 WeakPolarHBondContact O-CB 3.41Å; E233-S237 PolarHBondContact O-N 3.32Å; E233-S237 PolarHBondContact O-OG 3.5Å
234	R	84.3	Confident	72.8	Confident	132 Å²	132	63.6 Å²	63.6	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-37.5	172.9	-86.8	-177.7	-72.8	173.5	-10.3	113.4	S230 M231 L232 S237 S238	S230-R234 PolarHBondContact O-NE 3.46Å; S230-R234 PolarHBondContact O-NH2 3.24Å; S230-R234 PolarHBondContact OG-NH2 2.93Å; M231-R234 VanDerWaalsContact CG-NH2 3.34Å; M231-R234 PolarHBondContact O-N 3.42Å; L232-R234 PolarHBondContact O-N 2.86Å; R234-S237 WeakPolarHBondContact CA-OG 3.25Å; R234-S237 PolarHBondContact O-OG 2.99Å; R234-S237 VanDerWaalsContact O-OG 3.09Å; R234-S238 WeakPolarHBondContact O-CB 3.48Å; R234-S238 PolarHBondContact O-N 3.24Å
235	R	81.2	Confident	71	Confident	16 Å²	16	69.9 Å²	69.9	6%	0.06	39%	0.387	C	S	.	.	H	α-helix	trans	-69.3	-48.4	175.4	178.1	179.5	170.8	158.9	-17.5	111.4	M231 L232 S237 S238 G239 D440 F442 D444 I447	M231-R235 PolarHBondContact O-N 3.04Å; L232-R235 PolarHBondContact O-N 3.49Å; R235-S237 PolarHBondContact O-N 3.21Å; R235-S238 PolarHBondContact O-N 3.49Å; R235-S238 PolarHBondContact O-OG 3.42Å; R235-S238 VanDerWaalsContact O-OG 3.05Å; R235-G239 PolarHBondContact O-N 3.47Å; R235-D440 IonicContact NE-OD1 2.78Å; R235-D440 PolarHBondContact NE-OD1 3.17Å; R235-F442 PolarHBondContact NH1-O 3.45Å; R235-F442 VanDerWaalsContact NH1-O 3.14Å; R235-D444 WeakPolarHBondContact CD-OD1 3.44Å; R235-D444 IonicContact CZ-OD1 3.32Å; R235-D444 IonicContact NE-OD1 2.8Å; R235-D444 IonicContact NH1-OD1 3.68Å; R235-D444 PolarHBondContact NH1-OD1 3.19Å; R235-I447 VanDerWaalsContact NH1-CD1 3.27Å
236	R	84.2	Confident	68.7	Low	112 Å²	112	73.6 Å²	73.6	42%	0.423	42%	0.416	S	S	.	.	H	α-helix	trans	-55.3	-36.8	174.6	-72.4	176.9	175.5	-177.2	-3.3	112.2	L232 D440	L232-R236 PolarHBondContact O-N 2.87Å; R236-D440 HydrophobicContact CG-CB 4.15Å; R236-D440 PolarHBondContact NE-O 2.66Å; R236-D440 PolarHBondContact NH2-O 3.46Å
237	S	79.7	Confident	66.5	Low	90 Å²	90	71.5 Å²	71.5	63%	0.629	43%	0.427	S	S	*	.	H	α-helix	trans	-82.2	-15.9	175.7	57.3	0	0	0	0	115.5	E233 R234 R235	E233-S237 WeakPolarHBondContact O-CB 3.41Å; E233-S237 PolarHBondContact O-N 3.32Å; E233-S237 PolarHBondContact O-OG 3.5Å; R234-S237 WeakPolarHBondContact CA-OG 3.25Å; R234-S237 PolarHBondContact O-OG 2.99Å; R234-S237 VanDerWaalsContact O-OG 3.09Å; R235-S237 PolarHBondContact O-N 3.21Å
238	S	74.7	Confident	64.1	Low	61 Å²	61	79.1 Å²	79.1	43%	0.427	46%	0.463	S	S	.	.	H	α-helix	trans	-86.1	-16.3	176.2	75	0	0	0	0	113.7	R234 R235 Q240	R234-S238 WeakPolarHBondContact O-CB 3.48Å; R234-S238 PolarHBondContact O-N 3.24Å; R235-S238 PolarHBondContact O-N 3.49Å; R235-S238 PolarHBondContact O-OG 3.42Å; R235-S238 VanDerWaalsContact O-OG 3.05Å; S238-Q240 PolarHBondContact O-N 3.15Å; S238-Q240 PolarHBondContact OG-OE1 2.94Å
239	G	63.3	Low	61.9	Low	60 Å²	60	86.7 Å²	86.7	62%	0.619	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	18.3	179.8	0	0	0	0	0	114	R235 S241	R235-G239 PolarHBondContact O-N 3.47Å; G239-S241 VanDerWaalsContact C-N 3.26Å; G239-S241 PolarHBondContact O-N 2.82Å
240	Q	56.4	Low	59.6	Low	97 Å²	97	90.2 Å²	90.2	45%	0.453	53%	0.527	S	S	.	.			trans	-82	65.9	175.5	-70.5	177.8	-86.3	0	0	111.5	S238	S238-Q240 PolarHBondContact O-N 3.15Å; S238-Q240 PolarHBondContact OG-OE1 2.94Å
241	S	52	Low	57.1	Low	47 Å²	47	95.1 Å²	95.1	33%	0.329	55%	0.549	S	S	.	.			trans	-70.3	134.7	157.8	171.3	0	0	0	0	108.5	G239 N243 D439	G239-S241 VanDerWaalsContact C-N 3.26Å; G239-S241 PolarHBondContact O-N 2.82Å; S241-N243 VanDerWaalsContact C-N 3.29Å; S241-N243 PolarHBondContact O-N 3.33Å; S241-D439 WeakPolarHBondContact CB-OD2 3.2Å; S241-D439 PolarHBondContact OG-OD2 3.01Å
242	H	53.6	Low	54.9	Low	66 Å²	66	101.3 Å²	101.3	31%	0.306	59%	0.588	S	S	.	*	S	Bend	trans	-85.2	5.2	-173.2	-92.2	-83.9	0	0	0	114.2	S244	H242-S244 PolarHBondContact O-N 3Å; H242-S244 VanDerWaalsContact O-N 3.14Å
243	N	43.6	Very low	52.4	Low	96 Å²	96	107.1 Å²	107.1	51%	0.513	62%	0.624	S	S	.	*			trans	-84.6	81.6	176.2	-82	-17	0	0	0	112.2	S241	S241-N243 VanDerWaalsContact C-N 3.29Å; S241-N243 PolarHBondContact O-N 3.33Å
244	S	34.9	Very low	50.2	Low	109 Å²	109	107.4 Å²	107.4	76%	0.762	64%	0.639	S	S	*	*			trans	-123.7	71	167.9	54	0	0	0	0	112	H242 S246	H242-S244 PolarHBondContact O-N 3Å; H242-S244 VanDerWaalsContact O-N 3.14Å; S244-S246 PolarHBondContact O-N 3.27Å
245	T	37.5	Very low	47.9	Very low	138 Å²	138	110.8 Å²	110.8	85%	0.847	66%	0.657	S	S	*	*			trans	-59.9	123.5	166.6	-35.3	0	0	0	0	109.3	G247	T245-G247 VanDerWaalsContact C-N 3.31Å; T245-G247 PolarHBondContact O-N 3.34Å
246	S	31.4	Very low	45.8	Very low	119 Å²	119	121.9 Å²	121.9	83%	0.832	70%	0.699	S	S	*	*			trans	-77.6	71	-173.2	46.1	0	0	0	0	113.3	S244 Q248	S244-S246 PolarHBondContact O-N 3.27Å; S246-Q248 PolarHBondContact O-N 3.49Å
247	G	32	Very low	43.4	Very low	76 Å²	76	126 Å²	126	78%	0.784	72%	0.723	S	S	*	*			trans	-80	93.5	168.8	0	0	0	0	0	112.3	T245 D249	T245-G247 VanDerWaalsContact C-N 3.31Å; T245-G247 PolarHBondContact O-N 3.34Å; G247-D249 PolarHBondContact O-N 3.07Å
248	Q	32.6	Very low	41.5	Very low	194 Å²	194	126.8 Å²	126.8	91%	0.907	74%	0.735	S	S	*	*			trans	-74	115.3	160.8	-82.3	-173.3	-17.8	0	0	109.2	S246	S246-Q248 PolarHBondContact O-N 3.49Å
249	D	35.2	Very low	39.6	Very low	159 Å²	159	129.8 Å²	129.8	85%	0.85	76%	0.756	S	S	*	*			trans	-142	150.3	161	-124.2	-31.1	0	0	0	113.1	G247	G247-D249 PolarHBondContact O-N 3.07Å
250	T	37.3	Very low	38.4	Very low	130 Å²	130	130.8 Å²	130.8	80%	0.798	77%	0.767	S	S	*	*			trans	-94.7	149.1	-155	54.6	0	0	0	0	115.2	T252	T250-T252 PolarHBondContact O-N 2.93Å
251	N	31.6	Very low	37.6	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	79%	0.788	S	S	*	*			trans	-44.4	130.5	174.4	-84	-50.9	0	0	0	114.3
252	T	36.5	Very low	36.8	Very low	144 Å²	144	134.3 Å²	134.3	88%	0.883	81%	0.808	S	S	*	*			trans	-147.7	140	136.9	25	0	0	0	0	112.8	T250	T250-T252 PolarHBondContact O-N 2.93Å
253	T	34.2	Very low	36.1	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	84%	0.837	S	S	*	*			trans	-96.1	136.9	-171.1	-45.5	0	0	0	0	111.9
254	S	39	Very low	36.1	Very low	126 Å²	126	142.8 Å²	142.8	88%	0.881	85%	0.85	S	S	*	*			trans	-158.2	118.5	152.1	-89.4	0	0	0	0	114.1
255	K	35	Very low	36.3	Very low	202 Å²	202	144.9 Å²	144.9	88%	0.878	85%	0.853	S	S	*	*			trans	-69.4	143.6	169	-99.9	174.1	170.9	173.6	0	111.2
256	R	36.3	Very low	36.4	Very low	249 Å²	249	142.5 Å²	142.5	94%	0.94	85%	0.846	S	S	*	*			trans	-157.5	129.1	138.3	-111.6	165	-169.2	-153.9	0.8	112.3
257	Q	34.4	Very low	36.8	Very low	198 Å²	198	144 Å²	144	93%	0.925	85%	0.846	S	S	*	*			trans	-88.1	149.8	169.1	-68.3	168.9	-51.9	0	0	109.7
258	A	40.1	Very low	37.3	Very low	107 Å²	107	145 Å²	145	88%	0.884	84%	0.838	S	S	*	*			trans	-147.8	125.8	152.2	0	0	0	0	0	108.8
259	S	34.5	Very low	37.6	Very low	124 Å²	124	143 Å²	143	87%	0.867	83%	0.833	S	S	*	*			trans	-100.2	144.9	175.5	44.1	0	0	0	0	110.6
260	G	38.5	Very low	37.8	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	84%	0.836	S	S	*	*			trans	-135.9	117.9	173.8	0	0	0	0	0	110.2
261	T	38.7	Very low	37.7	Very low	146 Å²	146	142.1 Å²	142.1	90%	0.896	83%	0.834	S	S	*	*			trans	-96.3	150.4	-176.1	49.4	0	0	0	0	112.1
262	G	36.2	Very low	38	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	84%	0.839	S	S	*	*			trans	177.6	104.1	164.9	0	0	0	0	0	117.3
263	D	39.4	Very low	38.1	Very low	173 Å²	173	145.5 Å²	145.5	93%	0.925	83%	0.833	S	S	*	*			trans	76.6	154.1	152	-69.3	-20.3	0	0	0	124.3
264	Q	43	Very low	38.4	Very low	166 Å²	166	144 Å²	144	78%	0.776	83%	0.826	S	S	*	*			trans	-143.5	176.8	-150.2	-58.9	179.1	-8.1	0	0	112.2
265	N	39.9	Very low	38.1	Very low	154 Å²	154	144.6 Å²	144.6	82%	0.824	82%	0.819	S	S	*	*			trans	72	144.8	165.6	-62.1	-39.1	0	0	0	116.6
266	A	39.5	Very low	38.2	Very low	87 Å²	87	141.3 Å²	141.3	72%	0.719	82%	0.816	S	S	*	*			cis	-163.5	-175	-17.5	0	0	0	0	0	106.7
267	N	38.8	Very low	38	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	81%	0.809	S	S	*	*			cis	-157.3	156.5	6.4	-158.2	39.6	0	0	0	108.7
268	P	43.5	Very low	37.9	Very low	96 Å²	96	131.1 Å²	131.1	62%	0.623	81%	0.805	S	S	*	*			trans	-102.7	178.9	-168.2	39.3	-34.6	0	0	0	116.3
269	N	37.7	Very low	37.5	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	80%	0.796	S	S	*	*			trans	88.8	105.1	166	-61.6	-22	0	0	0	119.4
270	T	39.9	Very low	37.5	Very low	149 Å²	149	132.2 Å²	132.2	91%	0.914	80%	0.799	S	S	*	*				-150.5	131.1	123.2	9.4	0	0	0	0	113
271	T	36	Very low	37.1	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	79%	0.79	S	S	*	*			trans	-62.5	139.7	-174.6	-21.8	0	0	0	0	115.8
272	R	37.2	Very low	36.6	Very low	246 Å²	246	130.9 Å²	130.9	93%	0.928	78%	0.783	S	S	*	*				-171.5	144.2	127.7	-102.6	164.9	-173.1	-163.4	1.1	112.5
273	T	39.4	Very low	36.3	Very low	123 Å²	123	133 Å²	133	76%	0.755	79%	0.786	S	S	*	*			trans	-128.3	-179.2	-168.9	50.4	0	0	0	0	109.5
274	P	40.3	Very low	35.8	Very low	99 Å²	99	131.4 Å²	131.4	64%	0.643	78%	0.782	S	S	*	*			cis	-132.4	-145.8	-37.3	31	-7.1	0	0	0	111
275	D	32.9	Very low	35.4	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	78%	0.781	S	S	*	*			trans	85.8	136.8	164.3	-52.2	-25.2	0	0	0	116.6
276	T	35.6	Very low	34.8	Very low	133 Å²	133	132 Å²	132	82%	0.816	78%	0.78	S	S	*	*			cis	-151.8	164.6	-3.3	-7.4	0	0	0	0	111.7
277	S	31.8	Very low	34.5	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	79%	0.785	S	S	*	*			trans	-71	149.5	177.6	53.5	0	0	0	0	115.9
278	S	33.7	Very low	34	Very low	121 Å²	121	137.8 Å²	137.8	85%	0.846	79%	0.787	S	S	*	*			trans	-129	114.4	153.9	57.1	0	0	0	0	111.7
279	S	32	Very low	33.6	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	80%	0.801	S	S	*	*			trans	-89.4	131.8	176.7	53	0	0	0	0	111.4
280	V	33.4	Very low	33.3	Very low	153 Å²	153	137.4 Å²	137.4	93%	0.927	79%	0.793	S	S	*	*			trans	-91.4	104.2	168.9	-176.3	0	0	0	0	109.2
281	S	31.2	Very low	32.9	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	79%	0.787	S	S	*	*			trans	-111.2	113.3	178	-68.3	0	0	0	0	111.5
282	S	27.1	Very low	32.6	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	79%	0.793	S	S	*	*			trans	33.8	127.4	140.9	63	0	0	0	0	120.9
283	S	29.1	Very low	32.3	Very low	116 Å²	116	128.9 Å²	128.9	81%	0.811	79%	0.789	S	S	*	*			trans	-158.6	90.7	136.1	-84.3	0	0	0	0	112.5
284	V	29.5	Very low	31.8	Very low	140 Å²	140	128.7 Å²	128.7	85%	0.848	79%	0.793	S	S	*	*			trans	-83.5	112.1	165	173.4	0	0	0	0	108.4
285	I	33.8	Very low	31.5	Very low	146 Å²	146	132.7 Å²	132.7	75%	0.749	81%	0.805	S	S	*	*			trans	-91.9	110.2	170.8	-64.2	-178.4	0	0	0	109.3	T287	I285-T287 HydrophobicContact CG2-CG2 4.44Å
286	K	28.9	Very low	31.3	Very low	186 Å²	186	131 Å²	131	81%	0.809	80%	0.804	S	S	*	*			trans	-105.5	94.1	-178.2	-174	179.5	-171.1	171.5	0	109.9
287	T	32.9	Very low	31.2	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	81%	0.807	S	S	*	*			trans	-96.8	111.9	175.7	29.4	0	0	0	0	111.6	I285	I285-T287 HydrophobicContact CG2-CG2 4.44Å
288	R	27.8	Very low	31	Very low	229 Å²	229	134.3 Å²	134.3	86%	0.864	81%	0.808	S	S	*	*			trans	-129	95.6	176	-175.1	-167	-168.7	-164.7	6.2	110.3
289	I	36.4	Very low	31	Very low	176 Å²	176	134.6 Å²	134.6	90%	0.903	81%	0.81	S	S	*	*			trans	-156.9	139.3	160.6	-71.7	109.1	0	0	0	103.9
290	G	29.8	Very low	30.9	Very low	62 Å²	62	140.9 Å²	140.9	64%	0.639	82%	0.818	S	S	*	*			cis	145.5	131.1	2.1	0	0	0	0	0	110.5
291	S	32.7	Very low	30.9	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	82%	0.817	S	S	*	*			trans	74.5	103.3	164.4	-59.2	0	0	0	0	121
292	T	28.1	Very low	30.7	Very low	143 Å²	143	144.2 Å²	144.2	88%	0.877	82%	0.823	S	S	*	*				46.8	120.1	124	61.4	0	0	0	0	121.1
293	G	32.5	Very low	31.1	Very low	82 Å²	82	143.9 Å²	143.9	85%	0.845	83%	0.826	S	S	*	*			trans	-164.4	74.5	164.7	0	0	0	0	0	112.6
294	S	27.4	Very low	31	Very low	118 Å²	118	146.4 Å²	146.4	83%	0.825	83%	0.825	S	S	*	*			trans	-83.4	118.4	175.8	170.5	0	0	0	0	111
295	M	35.1	Very low	31.3	Very low	183 Å²	183	147.9 Å²	147.9	90%	0.901	83%	0.827	S	S	*	*			trans	-140	122.1	153.5	-77.5	-153.4	73.9	0	0	111.2
296	S	27.9	Very low	31	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	83%	0.828	S	S	*	*			trans	-80.2	140.3	171.4	50.7	0	0	0	0	111.8
297	T	34.3	Very low	31.2	Very low	145 Å²	145	144.8 Å²	144.8	89%	0.89	82%	0.821	S	S	*	*			trans	-143.8	126.7	149.1	27.4	0	0	0	0	110.4
298	E	27.7	Very low	31.1	Very low	170 Å²	170	143.9 Å²	143.9	79%	0.794	82%	0.82	S	S	*	*			trans	-75.5	150.3	174.7	-58	172.7	110.3	0	0	111.1
299	S	34.1	Very low	31.7	Very low	128 Å²	128	137.2 Å²	137.2	90%	0.895	81%	0.809	S	S	*	*			trans	-157.5	93.7	146.3	-85.5	0	0	0	0	110.7
300	R	28.4	Very low	31.3	Very low	232 Å²	232	132.7 Å²	132.7	88%	0.875	81%	0.806	S	S	*	*			trans	-67.5	134.2	164	-71.8	172.8	168.1	162.8	-4.6	109.3
301	K	33.9	Very low	31.5	Very low	206 Å²	206	137 Å²	137	90%	0.896	81%	0.813	S	S	*	*			trans	-147.1	115.7	142.9	-116	172.5	-173.1	179.8	0	111.5
302	S	28	Very low	31.5	Very low	112 Å²	112	139 Å²	139	78%	0.783	81%	0.814	S	S	*	*			trans	-55.9	142.2	176.7	40.8	0	0	0	0	114.5
303	A	34.4	Very low	31.5	Very low	98 Å²	98	138.6 Å²	138.6	81%	0.81	81%	0.811	S	S	*	*			trans	-125.8	113	145.9	0	0	0	0	0	107.2
304	Q	27.9	Very low	31.5	Very low	169 Å²	169	141 Å²	141	79%	0.79	81%	0.81	S	S	*	*			trans	-77.3	130	166.9	-74.7	169.2	-91	0	0	107.9
305	L	34.9	Very low	31.6	Very low	171 Å²	171	144.9 Å²	144.9	90%	0.895	81%	0.812	S	S	*	*			trans	-118.2	127.8	151.1	-74.4	172.1	0	0	0	106.6
306	N	28.5	Very low	31.5	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	81%	0.809	S	S	*	*			trans	-72.2	133.6	175.3	-64.8	-27	0	0	0	107.8
307	D	33.6	Very low	31.8	Very low	124 Å²	124	144.9 Å²	144.9	66%	0.663	81%	0.814	S	S	*	*			trans	-125.2	131.3	159.5	-165.9	-7.9	0	0	0	108.2	S309	D307-S309 PolarHBondContact OD1-OG 3.19Å
308	S	30.9	Very low	31.5	Very low	113 Å²	113	143.3 Å²	143.3	79%	0.79	81%	0.809	S	S	*	*			trans	-118.7	39.9	-166.1	-52.3	0	0	0	0	110.9	G310	S308-G310 PolarHBondContact O-N 3.41Å
309	S	38.6	Very low	31.7	Very low	90 Å²	90	140.9 Å²	140.9	63%	0.629	81%	0.81	S	S	*	*			trans	-94.1	96.6	-175.3	-64.8	0	0	0	0	110.4	D307 L311	D307-S309 PolarHBondContact OD1-OG 3.19Å; S309-L311 PolarHBondContact O-N 3.45Å
310	G	29.3	Very low	31.8	Very low	81 Å²	81	140.3 Å²	140.3	84%	0.835	81%	0.806	S	S	*	*			trans	-74.5	91.2	-172.5	0	0	0	0	0	113.7	S308	S308-G310 PolarHBondContact O-N 3.41Å
311	L	32.6	Very low	31.8	Very low	153 Å²	153	138.9 Å²	138.9	80%	0.801	81%	0.806	S	S	*	*			trans	-76.6	123.8	172	-168.4	66.2	0	0	0	111.3	S309 T313	S309-L311 PolarHBondContact O-N 3.45Å; L311-T313 PolarHBondContact O-N 3.25Å
312	L	33	Very low	31.7	Very low	155 Å²	155	137 Å²	137	81%	0.812	81%	0.805	S	S	*	*			trans	-64.6	116.6	177.6	-77.7	157.4	0	0	0	111	T314	L312-T314 PolarHBondContact O-N 2.87Å; L312-T314 VanDerWaalsContact O-N 3.1Å
313	T	28.6	Very low	31.6	Very low	135 Å²	135	137.4 Å²	137.4	83%	0.828	80%	0.803	S	S	*	*			trans	-80.8	87.2	173	43.9	0	0	0	0	110.4	L311 K315	L311-T313 PolarHBondContact O-N 3.25Å; T313-K315 PolarHBondContact O-N 2.97Å
314	T	32.6	Very low	31.7	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	81%	0.805	S	S	*	*			trans	-68.7	114.5	169.6	42.7	0	0	0	0	109.7	L312 L316	L312-T314 PolarHBondContact O-N 2.87Å; L312-T314 VanDerWaalsContact O-N 3.1Å; T314-L316 PolarHBondContact O-N 2.92Å
315	K	30	Very low	31.8	Very low	199 Å²	199	139.2 Å²	139.2	87%	0.865	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.3	118.4	176.9	-70	176.6	178.2	174.7	0	109.9	T313	T313-K315 PolarHBondContact O-N 2.97Å
316	L	32.3	Very low	31.8	Very low	162 Å²	162	139.1 Å²	139.1	85%	0.848	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-54.9	128	161.6	-79.2	156.2	0	0	0	109.7	T314	T314-L316 PolarHBondContact O-N 2.92Å
317	P	34.1	Very low	31.9	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.2	179.9	28.8	-33.2	0	0	0	110.8
318	S	28.9	Very low	32.2	Very low	112 Å²	112	141 Å²	141	78%	0.783	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.3	125.4	178.4	-42.7	0	0	0	0	111.7
319	S	31.5	Very low	32.3	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	83%	0.828	S	S	*	*			trans	61.1	97.4	144.1	-45.8	0	0	0	0	117.9
320	S	35.2	Very low	32.1	Very low	117 Å²	117	142.4 Å²	142.4	82%	0.818	83%	0.832	S	S	*	*			trans	-101.9	128.9	150.3	79.5	0	0	0	0	109.7
321	K	28.7	Very low	32.4	Very low	201 Å²	201	147 Å²	147	87%	0.874	84%	0.837	S	S	*	*			trans	-76.9	131.8	174.9	-70.3	172	174.4	175.5	0	108.6
322	L	31.7	Very low	33.5	Very low	166 Å²	166	142.3 Å²	142.3	87%	0.869	83%	0.826	S	S	*	*			trans	-145.8	147.8	154.4	-109.8	154	0	0	0	112.2
323	T	27.2	Very low	35.1	Very low	122 Å²	122	140 Å²	140	75%	0.748	82%	0.82	S	S	*	*			trans	-105.3	127	-164.5	-44.1	0	0	0	0	109.3
324	S	34.9	Very low	37.6	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	82%	0.819	S	S	*	*			trans	-158.6	141.2	156	-84.2	0	0	0	0	110.4
325	Q	29.9	Very low	40.2	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	79%	0.788	S	S	*	*			trans	-85.8	129.3	-176.3	-64.7	165.6	-41.5	0	0	109.8
326	N	35.2	Very low	43.1	Very low	169 Å²	169	128.9 Å²	128.9	90%	0.904	75%	0.753	S	S	*	*			trans	-153.6	146.3	140.9	-93.3	-33.9	0	0	0	108.6
327	V	32.2	Very low	45.9	Very low	149 Å²	149	125.4 Å²	125.4	90%	0.903	73%	0.734	S	S	*	*			trans	-99.7	116.6	-167.2	178.4	0	0	0	0	109.5
328	D	39	Very low	48.7	Very low	159 Å²	159	119.5 Å²	119.5	85%	0.85	70%	0.696	S	S	*	*			trans	-149	148	149.9	-149.6	-6.9	0	0	0	110.6
329	D	32.7	Very low	51.7	Low	162 Å²	162	114.4 Å²	114.4	87%	0.866	66%	0.66	S	S	*	*			trans	-81.7	129	-172.2	-93.1	-44.8	0	0	0	111.6
330	G	34.5	Very low	54.7	Low	69 Å²	69	109.1 Å²	109.1	71%	0.711	62%	0.623	S	S	*	*			trans	168	-7.9	170.9	0	0	0	0	0	121.7	G332	G330-G332 PolarHBondContact O-N 3.02Å
331	N	36.1	Very low	57.5	Low	178 Å²	178	111.4 Å²	111.4	95%	0.952	62%	0.621	S	S	*	*			trans	49.4	25.3	171.3	-160.1	64.4	0	0	0	117.5
332	G	54.8	Low	60.6	Low	54 Å²	54	102.4 Å²	102.4	56%	0.557	58%	0.583	S	S	*	*	S	Bend	trans	-99.4	160.6	166.3	0	0	0	0	0	111.5	G330 F334	G330-G332 PolarHBondContact O-N 3.02Å; G332-F334 PolarHBondContact O-N 3.21Å
333	P	66.6	Low	63.5	Low	106 Å²	106	100 Å²	100	69%	0.688	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61.9	132	166.8	28.4	-33	0	0	0	109.1	H397	P333-H397 PolarHBondContact O-CE1 2.88Å
334	F	80.6	Confident	66.7	Low	184 Å²	184	96 Å²	96	81%	0.807	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-64.1	134.7	176	-178.1	-97.7	0	0	0	110	G332	G332-F334 PolarHBondContact O-N 3.21Å
335	L	87.9	Confident	69.5	Low	33 Å²	33	92.5 Å²	92.5	17%	0.173	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-89.3	129.1	175.3	-166.1	63.8	0	0	0	109.4	Y380 P396 V400	L335-Y380 HydrophobicContact CD2-CE2 4.14Å; L335-Y380 VanDerWaalsContact CD2-OH 3.26Å; L335-Y380 WeakPolarHBondContact CD2-OH 3.01Å; L335-P396 HydrophobicContact CD2-CB 3.46Å; L335-P396 VanDerWaalsContact CD2-CB 3.46Å; L335-V400 HydrophobicContact CD1-CB 4.29Å; L335-V400 HydrophobicContact CD1-CG1 4.39Å; L335-V400 HydrophobicContact CD1-CG2 4.15Å; L335-V400 HydrophobicContact CD2-CG2 4.45Å
336	P	91.7	Very high	72.5	Confident	18 Å²	18	90.8 Å²	90.8	12%	0.117	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-58.7	153.1	175.3	-23.9	34.6	0	0	0	112.3	H338 G339 V340 E341	P336-H338 PolarHBondContact O-N 2.76Å; P336-G339 PolarHBondContact O-N 3.08Å; P336-V340 VanDerWaalsContact CB-C 3.48Å; P336-V340 WeakPolarHBondContact CB-O 3.33Å; P336-E341 HydrophobicContact CB-CG 4.48Å; P336-E341 HydrophobicContact CG-CB 4.49Å; P336-E341 HydrophobicContact CG-CG 3.58Å
337	I	91	Very high	75.4	Confident	89 Å²	89	86.8 Å²	86.8	46%	0.456	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.8	-174.2	-169.6	170.4	0	0	0	113.1	D345	I337-D345 HydrophobicContact CG2-CB 4.36Å
338	H	92.3	Very high	78.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	15.5	175	-54.3	-59.3	0	0	0	113.5	P336 V340 D345 L348 E349 F352 T377 R381	P336-H338 PolarHBondContact O-N 2.76Å; H338-V340 PolarHBondContact O-N 3.1Å; H338-V340 VanDerWaalsContact O-N 3.16Å; H338-D345 IonicContact CD2-OD1 3.83Å; H338-D345 PolarHBondContact NE2-O 3.07Å; H338-L348 HydrophobicContact CB-CD2 4.32Å; H338-E349 IonicContact CE1-OE2 3.75Å; H338-E349 PolarHBondContact CE1-OE2 2.89Å; H338-E349 PolarHBondContact NE2-N 3.47Å; H338-E349 IonicContact NE2-OE2 3.83Å; H338-F352 AromaticContact CE1-CD2 3.84Å; H338-F352 AromaticContact ND1-CD2 3.7Å; H338-F352 AromaticContact ND1-CE2 3.87Å; H338-T377 HydrophobicContact CB-CG2 3.69Å; H338-R381 PolarHBondContact ND1-NH1 3.27Å
339	G	93.1	Very high	81.1	Confident	4 Å²	4	74.3 Å²	74.3	4%	0.041	42%	0.422	C	S	.	.	S	Bend	trans	80.9	-28.9	-176.2	0	0	0	0	0	114.5	P336 V400	P336-G339 PolarHBondContact O-N 3.08Å; G339-V400 VanDerWaalsContact O-CG1 3.29Å; G339-V400 WeakPolarHBondContact O-CG1 3.47Å
340	V	94.6	Very high	84	Confident	8 Å²	8	71.7 Å²	71.7	5%	0.048	41%	0.405	C	S	.	.	S	Bend	trans	-113.6	150.8	176.9	-58.8	0	0	0	0	112.3	P336 H338 H373 T376 T377 L404	P336-V340 VanDerWaalsContact CB-C 3.48Å; P336-V340 WeakPolarHBondContact CB-O 3.33Å; H338-V340 PolarHBondContact O-N 3.1Å; H338-V340 VanDerWaalsContact O-N 3.16Å; V340-H373 HydrophobicContact CB-CB 4.39Å; V340-H373 HydrophobicContact CG1-CB 3.95Å; V340-H373 HydrophobicContact CG2-CB 4.13Å; V340-T376 HydrophobicContact CG1-CG2 3.62Å; V340-T377 WeakPolarHBondContact CG2-OG1 2.93Å; V340-L404 HydrophobicContact CG1-CD2 4.02Å
341	E	93.1	Very high	86.9	Confident	165 Å²	165	71.7 Å²	71.7	77%	0.771	38%	0.383	S	S	*	.			trans	-80.9	121.4	174.7	-65.8	-179.3	-177.7	0	0	110.2	P336	P336-E341 HydrophobicContact CB-CG 4.48Å; P336-E341 HydrophobicContact CG-CB 4.49Å; P336-E341 HydrophobicContact CG-CG 3.58Å
342	T	93.2	Very high	89.7	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.067	34%	0.339	C	S	.	.			trans	-142.7	142.6	172.1	176.2	0	0	0	0	112.3	N344 D345 L348 L369 N371	T342-N344 PolarHBondContact O-N 2.75Å; T342-N344 VanDerWaalsContact O-N 3.12Å; T342-N344 PolarHBondContact OG1-N 2.85Å; T342-N344 PolarHBondContact OG1-ND2 2.82Å; T342-D345 WeakPolarHBondContact CG2-OD1 3.32Å; T342-D345 PolarHBondContact O-N 3.2Å; T342-L348 HydrophobicContact CG2-CD2 3.82Å; T342-L369 WeakPolarHBondContact CB-O 3.46Å; T342-L369 PolarHBondContact OG1-O 3.12Å; T342-N371 WeakPolarHBondContact CB-ND2 3.4Å; T342-N371 PolarHBondContact OG1-ND2 3.04Å; T342-N371 VanDerWaalsContact OG1-ND2 3.1Å
343	P	93.7	Very high	91.5	Very high	116 Å²	116	64.8 Å²	64.8	75%	0.753	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.3	172.2	28.4	-36.7	0	0	0	113.6
344	N	94.4	Very high	92.7	Very high	37 Å²	37	65.5 Å²	65.5	20%	0.198	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	18.6	-175.6	-40.9	-61.5	0	0	0	113.6	T342 N346 E347 L348 L369	T342-N344 PolarHBondContact O-N 2.75Å; T342-N344 VanDerWaalsContact O-N 3.12Å; T342-N344 PolarHBondContact OG1-N 2.85Å; T342-N344 PolarHBondContact OG1-ND2 2.82Å; N344-N346 PolarHBondContact O-N 3.27Å; N344-E347 PolarHBondContact O-N 3.23Å; N344-L348 WeakPolarHBondContact O-CB 3.29Å; N344-L348 PolarHBondContact O-N 2.93Å; N344-L369 HydrophobicContact CB-CB 4.46Å; N344-L369 HydrophobicContact CB-CD2 3.63Å; N344-L369 PolarHBondContact ND2-O 3.29Å
345	D	92.7	Very high	93.3	Very high	50 Å²	50	58.3 Å²	58.3	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-47.2	-39.7	-174	-87	-20.7	0	0	0	114.4	I337 H338 T342 L348 E349	I337-D345 HydrophobicContact CG2-CB 4.36Å; H338-D345 IonicContact CD2-OD1 3.83Å; H338-D345 PolarHBondContact NE2-O 3.07Å; T342-D345 WeakPolarHBondContact CG2-OD1 3.32Å; T342-D345 PolarHBondContact O-N 3.2Å; D345-L348 PolarHBondContact O-N 3.47Å; D345-E349 WeakPolarHBondContact O-CB 3.34Å; D345-E349 PolarHBondContact O-N 3.29Å
346	N	94.3	Very high	93.7	Very high	145 Å²	145	57 Å²	57	78%	0.775	30%	0.303	S	S	*	.	H	α-helix	trans	-69.6	-45.5	179.8	-66	-34.5	0	0	0	112.8	N344 L348 E349 E350	N344-N346 PolarHBondContact O-N 3.27Å; N346-L348 PolarHBondContact O-N 3.34Å; N346-E349 PolarHBondContact O-N 3.04Å; N346-E350 PolarHBondContact O-N 3.41Å
347	E	95.3	Very high	93.9	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-36.7	176.1	-69.2	-178.7	-157.9	0	0	110.3	N344 E350 R351 R368 L369	N344-E347 PolarHBondContact O-N 3.23Å; E347-E350 PolarHBondContact O-N 3.01Å; E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.47Å; E347-R351 PolarHBondContact O-N 2.94Å; E347-R368 IonicContact OE2-NH2 2.69Å; E347-L369 HydrophobicContact CB-CD1 4.42Å; E347-L369 HydrophobicContact CB-CD2 3.75Å; E347-L369 VanDerWaalsContact OE2-CD2 3.24Å; E347-L369 WeakPolarHBondContact OE2-CD2 3.26Å
348	L	95.1	Very high	94.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.9	-41	179.1	-173	52.7	0	0	0	112.1	H338 T342 N344 D345 N346 R351 F352 I366 L369 T377	H338-L348 HydrophobicContact CB-CD2 4.32Å; T342-L348 HydrophobicContact CG2-CD2 3.82Å; N344-L348 WeakPolarHBondContact O-CB 3.29Å; N344-L348 PolarHBondContact O-N 2.93Å; D345-L348 PolarHBondContact O-N 3.47Å; N346-L348 PolarHBondContact O-N 3.34Å; L348-R351 PolarHBondContact O-N 3.4Å; L348-F352 HydrophobicContact CD1-CD2 4.04Å; L348-F352 HydrophobicContact CD1-CE2 3.42Å; L348-F352 VanDerWaalsContact CD1-CE2 3.42Å; L348-F352 HydrophobicContact CD1-CZ 3.89Å; L348-F352 HydrophobicContact CD2-CE2 4.38Å; L348-F352 HydrophobicContact CG-CD2 4.05Å; L348-F352 HydrophobicContact CG-CE2 3.59Å; L348-F352 HydrophobicContact CG-CZ 4.5Å; L348-F352 WeakPolarHBondContact O-CD2 3.48Å; L348-F352 PolarHBondContact O-N 2.61Å; L348-I366 HydrophobicContact CD1-CG2 4.15Å; L348-L369 HydrophobicContact CB-CB 4.35Å; L348-L369 HydrophobicContact CD1-CB 4.01Å; L348-L369 HydrophobicContact CD1-CD1 4.45Å; L348-T377 HydrophobicContact CD1-CG2 4.29Å; L348-T377 HydrophobicContact CD2-CG2 3.8Å; L348-T377 HydrophobicContact CG-CG2 4.28Å
349	E	95.2	Very high	94.3	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.22	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-40.4	171.7	-176.8	66.8	-123.1	0	0	111.9	H338 D345 N346 R351 F352 S353 R381	H338-E349 IonicContact CE1-OE2 3.75Å; H338-E349 PolarHBondContact CE1-OE2 2.89Å; H338-E349 PolarHBondContact NE2-N 3.47Å; H338-E349 IonicContact NE2-OE2 3.83Å; D345-E349 WeakPolarHBondContact O-CB 3.34Å; D345-E349 PolarHBondContact O-N 3.29Å; N346-E349 PolarHBondContact O-N 3.04Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.25Å; E349-F352 PolarHBondContact O-N 3.44Å; E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.33Å; E349-S353 PolarHBondContact O-N 3.01Å; E349-S353 PolarHBondContact O-OG 3.28Å; E349-S353 PolarHBondContact OE1-OG 3.07Å; E349-R381 IonicContact OE1-CZ 3.51Å; E349-R381 IonicContact OE1-NH1 3.69Å; E349-R381 PolarHBondContact OE1-NH1 2.98Å; E349-R381 IonicContact OE1-NH2 3.24Å; E349-R381 PolarHBondContact OE1-NH2 3.48Å; E349-R381 IonicContact OE2-CZ 2.79Å; E349-R381 IonicContact OE2-NH1 2.72Å; E349-R381 PolarHBondContact OE2-NH1 3.45Å; E349-R381 IonicContact OE2-NH2 3.32Å; E349-R381 PolarHBondContact OE2-NH2 2.91Å
350	E	94.6	Very high	94.4	Very high	107 Å²	107	61 Å²	61	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-44.9	173.4	-178.6	-179.6	-159.1	0	0	110.8	N346 E347 S353 L354	N346-E350 PolarHBondContact O-N 3.41Å; E347-E350 PolarHBondContact O-N 3.01Å; E350-S353 PolarHBondContact O-N 2.93Å; E350-L354 HydrophobicContact CG-CD1 3.77Å; E350-L354 HydrophobicContact CG-CG 4.46Å; E350-L354 WeakPolarHBondContact O-CB 3.15Å; E350-L354 VanDerWaalsContact O-CG 3.29Å; E350-L354 WeakPolarHBondContact O-CG 3.45Å; E350-L354 PolarHBondContact O-N 3.22Å
351	R	94.2	Very high	94.4	Very high	68 Å²	68	60.8 Å²	60.8	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-43.3	179.3	-59.8	-27.1	177	71.9	12.3	112	E347 L348 E349 S353 L354 C355 E365 L369	E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.47Å; E347-R351 PolarHBondContact O-N 2.94Å; L348-R351 PolarHBondContact O-N 3.4Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.25Å; R351-S353 VanDerWaalsContact C-N 3.3Å; R351-S353 PolarHBondContact O-N 3.41Å; R351-L354 PolarHBondContact O-N 3.39Å; R351-C355 PolarHBondContact O-N 3.36Å; R351-C355 PolarHBondContact O-SG 2.96Å; R351-E365 IonicContact CZ-OE1 2.69Å; R351-E365 IonicContact CZ-OE2 2.69Å; R351-E365 IonicContact NH1-OE1 3.16Å; R351-E365 PolarHBondContact NH1-OE1 3.4Å; R351-E365 IonicContact NH1-OE2 3.45Å; R351-E365 PolarHBondContact NH1-OE2 2.92Å; R351-E365 VanDerWaalsContact NH2-CD 3.29Å; R351-E365 IonicContact NH2-OE1 3.47Å; R351-E365 PolarHBondContact NH2-OE1 3.49Å; R351-E365 IonicContact NH2-OE2 3.49Å; R351-E365 PolarHBondContact NH2-OE2 2.77Å; R351-L369 HydrophobicContact CG-CD1 3.89Å
352	F	95.3	Very high	94.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-33.7	176	-71.3	-52.3	0	0	0	113.4	H338 L348 E349 L356 I366 T377 V378 R381	H338-F352 AromaticContact CE1-CD2 3.84Å; H338-F352 AromaticContact ND1-CD2 3.7Å; H338-F352 AromaticContact ND1-CE2 3.87Å; L348-F352 HydrophobicContact CD1-CD2 4.04Å; L348-F352 HydrophobicContact CD1-CE2 3.42Å; L348-F352 VanDerWaalsContact CD1-CE2 3.42Å; L348-F352 HydrophobicContact CD1-CZ 3.89Å; L348-F352 HydrophobicContact CD2-CE2 4.38Å; L348-F352 HydrophobicContact CG-CD2 4.05Å; L348-F352 HydrophobicContact CG-CE2 3.59Å; L348-F352 HydrophobicContact CG-CZ 4.5Å; L348-F352 WeakPolarHBondContact O-CD2 3.48Å; L348-F352 PolarHBondContact O-N 2.61Å; E349-F352 PolarHBondContact O-N 3.44Å; F352-L356 HydrophobicContact CD1-CB 4.21Å; F352-L356 HydrophobicContact CD1-CD1 3.93Å; F352-L356 HydrophobicContact CD1-CD2 4.2Å; F352-L356 HydrophobicContact CD1-CG 4.34Å; F352-L356 HydrophobicContact CE1-CD1 4.19Å; F352-L356 WeakPolarHBondContact O-CB 3.35Å; F352-L356 PolarHBondContact O-N 3.47Å; F352-I366 HydrophobicContact CE1-CD1 3.93Å; F352-I366 HydrophobicContact CE1-CG2 4.44Å; F352-I366 HydrophobicContact CZ-CD1 4.5Å; F352-I366 HydrophobicContact CZ-CG2 4.06Å; F352-T377 HydrophobicContact CE2-CG2 3.39Å; F352-T377 HydrophobicContact CZ-CG2 3.43Å; F352-T377 VanDerWaalsContact CZ-CG2 3.43Å; F352-V378 HydrophobicContact CE1-CG2 4.04Å; F352-V378 HydrophobicContact CZ-CG2 4.29Å; F352-R381 HydrophobicContact CD1-CB 4.32Å; F352-R381 HydrophobicContact CD1-CG 4.29Å; F352-R381 HydrophobicContact CD2-CG 3.7Å; F352-R381 HydrophobicContact CE1-CB 4.39Å; F352-R381 HydrophobicContact CE1-CG 4.3Å; F352-R381 HydrophobicContact CE2-CG 3.7Å; F352-R381 HydrophobicContact CG-CB 4.41Å; F352-R381 HydrophobicContact CG-CG 4Å; F352-R381 HydrophobicContact CZ-CG 4.01Å
353	S	93	Very high	94.9	Very high	83 Å²	83	53.6 Å²	53.6	58%	0.58	28%	0.284	S	S	*	.	H	α-helix	trans	-69.4	-34.4	175.6	-62.8	0	0	0	0	112.7	E349 E350 R351	E349-S353 VanDerWaalsContact O-CB 3.29Å; E349-S353 WeakPolarHBondContact O-CB 3.33Å; E349-S353 PolarHBondContact O-N 3.01Å; E349-S353 PolarHBondContact O-OG 3.28Å; E349-S353 PolarHBondContact OE1-OG 3.07Å; E350-S353 PolarHBondContact O-N 2.93Å; R351-S353 VanDerWaalsContact C-N 3.3Å; R351-S353 PolarHBondContact O-N 3.41Å
354	L	91.8	Very high	95.1	Very high	121 Å²	121	49.2 Å²	49.2	63%	0.634	25%	0.254	S	S	*	.	H	α-helix	trans	-90.4	-35.3	-175.2	-70.7	174.9	0	0	0	114.7	E350 R351	E350-L354 HydrophobicContact CG-CD1 3.77Å; E350-L354 HydrophobicContact CG-CG 4.46Å; E350-L354 WeakPolarHBondContact O-CB 3.15Å; E350-L354 VanDerWaalsContact O-CG 3.29Å; E350-L354 WeakPolarHBondContact O-CG 3.45Å; E350-L354 PolarHBondContact O-N 3.22Å; R351-L354 PolarHBondContact O-N 3.39Å
355	C	93.3	Very high	95.2	Very high	34 Å²	34	49.7 Å²	49.7	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-136.3	0.8	-169	68.7	0	0	0	0	117.1	R351 D357 E358 V361	R351-C355 PolarHBondContact O-N 3.36Å; R351-C355 PolarHBondContact O-SG 2.96Å; C355-D357 PolarHBondContact O-N 3.2Å; C355-E358 HydrophobicContact CB-CB 4.25Å; C355-E358 HydrophobicContact CB-CG 4.48Å; C355-E358 WeakPolarHBondContact O-CB 3.19Å; C355-E358 PolarHBondContact O-N 2.8Å; C355-V361 HydrophobicContact CB-CG2 4.2Å; C355-V361 WeakPolarHBondContact O-CG2 3.46Å
356	L	96.2	Very high	95.4	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.6	-177.7	-178.8	58.2	0	0	0	113.8	F352 R381 I382 K385 Q427	F352-L356 HydrophobicContact CD1-CB 4.21Å; F352-L356 HydrophobicContact CD1-CD1 3.93Å; F352-L356 HydrophobicContact CD1-CD2 4.2Å; F352-L356 HydrophobicContact CD1-CG 4.34Å; F352-L356 HydrophobicContact CE1-CD1 4.19Å; F352-L356 WeakPolarHBondContact O-CB 3.35Å; F352-L356 PolarHBondContact O-N 3.47Å; L356-R381 HydrophobicContact CD2-CB 3.89Å; L356-I382 HydrophobicContact CD1-CD1 4.33Å; L356-I382 HydrophobicContact CD1-CG1 3.93Å; L356-I382 HydrophobicContact CD2-CG1 4.39Å; L356-I382 HydrophobicContact CG-CG1 4.44Å; L356-K385 HydrophobicContact CD2-CD 4.21Å; L356-Q427 HydrophobicContact CD1-CG 4.21Å; L356-Q427 PolarHBondContact O-NE2 2.97Å
357	D	96.4	Very high	95.6	Very high	46 Å²	46	42.1 Å²	42.1	25%	0.246	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.1	-179.7	-61.8	-5.1	0	0	0	113.5	C355 K385 H430 F431 Q434	C355-D357 PolarHBondContact O-N 3.2Å; D357-K385 VanDerWaalsContact OD1-CE 3.24Å; D357-K385 WeakPolarHBondContact OD1-CE 3.39Å; D357-K385 IonicContact OD1-NZ 2.93Å; D357-K385 PolarHBondContact OD1-NZ 3.01Å; D357-K385 WeakPolarHBondContact OD2-CE 3.47Å; D357-K385 IonicContact OD2-NZ 2.6Å; D357-K385 PolarHBondContact OD2-NZ 3.27Å; D357-H430 IonicContact OD1-CE1 2.68Å; D357-H430 IonicContact OD1-NE2 3.59Å; D357-H430 PolarHBondContact OD1-NE2 3.2Å; D357-F431 WeakPolarHBondContact O-CD2 3.44Å; D357-F431 WeakPolarHBondContact O-CE2 3.41Å; D357-Q434 VanDerWaalsContact CG-OE1 3.29Å; D357-Q434 PolarHBondContact O-NE2 3.01Å
358	E	95.5	Very high	95.7	Very high	115 Å²	115	43.9 Å²	43.9	54%	0.537	22%	0.217	S	C	.	.	S	Bend	trans	-99.4	158.6	-170.7	-66.9	-65.6	164.4	0	0	112.4	C355 Q427 F431	C355-E358 HydrophobicContact CB-CB 4.25Å; C355-E358 HydrophobicContact CB-CG 4.48Å; C355-E358 WeakPolarHBondContact O-CB 3.19Å; C355-E358 PolarHBondContact O-N 2.8Å; E358-Q427 PolarHBondContact O-NE2 3.49Å; E358-F431 VanDerWaalsContact C-CD2 3.4Å
359	W	96.2	Very high	95.8	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.095	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	135	173.8	-171.5	-106	0	0	0	111	T428 F431 L432 A580 K581 W638 I652	W359-T428 HydrophobicContact CH2-CG2 3.64Å; W359-T428 HydrophobicContact CZ3-CG2 3.47Å; W359-T428 VanDerWaalsContact CZ3-CG2 3.47Å; W359-F431 HydrophobicContact CB-CD2 4.28Å; W359-F431 HydrophobicContact CB-CE1 4.42Å; W359-F431 HydrophobicContact CB-CE2 3.86Å; W359-F431 HydrophobicContact CB-CZ 3.93Å; W359-F431 HydrophobicContact CE3-CB 4.47Å; W359-F431 AromaticContact CE3-CD1 3.49Å; W359-F431 HydrophobicContact CE3-CD1 3.49Å; W359-F431 VanDerWaalsContact CE3-CD1 3.49Å; W359-F431 HydrophobicContact CE3-CD2 4.47Å; W359-F431 AromaticContact CE3-CE1 3.8Å; W359-F431 HydrophobicContact CE3-CE1 3.8Å; W359-F431 AromaticContact CE3-CG 3.88Å; W359-F431 HydrophobicContact CE3-CG 3.88Å; W359-F431 HydrophobicContact CE3-CZ 4.43Å; W359-F431 AromaticContact CZ3-CD1 3.97Å; W359-F431 HydrophobicContact CZ3-CD1 3.97Å; W359-F431 HydrophobicContact CZ3-CE1 4.49Å; W359-F431 VanDerWaalsContact N-CE2 3.3Å; W359-L432 HydrophobicContact CZ3-CD2 4.33Å; W359-A580 HydrophobicContact CZ2-CB 4.18Å; W359-A580 PolarHBondContact NE1-O 2.73Å; W359-K581 HydrophobicContact CZ2-CD 4.09Å; W359-W638 AromaticContact CH2-CH2 3.55Å; W359-W638 HydrophobicContact CH2-CH2 3.55Å; W359-W638 AromaticContact CH2-CZ2 3.81Å; W359-W638 HydrophobicContact CH2-CZ2 3.81Å; W359-W638 HydrophobicContact CH2-CZ3 4.43Å; W359-W638 HydrophobicContact CZ2-CH2 4.4Å; W359-W638 HydrophobicContact CZ2-CZ2 4.41Å; W359-W638 HydrophobicContact CZ3-CH2 4.17Å; W359-I652 HydrophobicContact CD2-CD1 4.07Å; W359-I652 HydrophobicContact CD2-CG1 3.94Å; W359-I652 HydrophobicContact CE3-CD1 3.81Å; W359-I652 HydrophobicContact CE3-CG1 4.21Å; W359-I652 HydrophobicContact CG-CG1 4.38Å; W359-I652 HydrophobicContact CH2-CD1 3.92Å; W359-I652 HydrophobicContact CH2-CG1 4.4Å; W359-I652 HydrophobicContact CH2-CG2 4.04Å; W359-I652 HydrophobicContact CZ2-CB 4.47Å; W359-I652 HydrophobicContact CZ2-CD1 4.2Å; W359-I652 HydrophobicContact CZ2-CG1 4.17Å; W359-I652 HydrophobicContact CZ2-CG2 3.59Å; W359-I652 HydrophobicContact CZ3-CD1 3.69Å; W359-I652 HydrophobicContact CZ3-CG1 4.4Å
360	G	93.5	Very high	95.9	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	34.3	174.2	0	0	0	0	0	115.4	R584 L585	G360-R584 PolarHBondContact O-NH2 2.69Å; G360-L585 WeakPolarHBondContact O-CD1 3.28Å
361	V	95.6	Very high	96	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.024	21%	0.205	C	C	.	.			trans	-48.8	134.7	166.2	173.7	0	0	0	0	111	C355 I363 I366 Q427 L585	C355-V361 HydrophobicContact CB-CG2 4.2Å; C355-V361 WeakPolarHBondContact O-CG2 3.46Å; V361-I363 VanDerWaalsContact C-N 3.27Å; V361-I363 PolarHBondContact O-N 2.69Å; V361-I366 HydrophobicContact CG1-CD1 3.37Å; V361-I366 HydrophobicContact CG1-CG1 4.38Å; V361-Q427 HydrophobicContact CB-CG 4.44Å; V361-Q427 VanDerWaalsContact CG2-CD 3.48Å; V361-Q427 HydrophobicContact CG2-CG 4.11Å; V361-Q427 VanDerWaalsContact CG2-NE2 3.33Å; V361-L585 VanDerWaalsContact O-CD1 3.27Å; V361-L585 WeakPolarHBondContact O-CD1 3.36Å
362	D	97.5	Very high	96.1	Very high	24 Å²	24	39 Å²	39	13%	0.128	21%	0.208	C	C	.	.			trans	-78.2	81.5	171.9	-159.9	-25	0	0	0	110.5	F364 E365 I366 R584 L585 K588	D362-F364 PolarHBondContact O-N 2.95Å; D362-F364 VanDerWaalsContact OD1-CB 3.31Å; D362-F364 WeakPolarHBondContact OD1-CB 3.21Å; D362-F364 WeakPolarHBondContact OD1-CD2 3.4Å; D362-F364 PolarHBondContact OD1-N 3.45Å; D362-E365 HydrophobicContact CB-CB 3.96Å; D362-E365 WeakPolarHBondContact O-CA 3.43Å; D362-E365 WeakPolarHBondContact O-CB 3.35Å; D362-E365 PolarHBondContact O-N 2.89Å; D362-E365 PolarHBondContact OD1-N 3.43Å; D362-I366 PolarHBondContact O-N 3Å; D362-R584 IonicContact OD2-CZ 3.88Å; D362-R584 IonicContact OD2-NH1 3.47Å; D362-R584 PolarHBondContact OD2-NH1 3.38Å; D362-R584 IonicContact OD2-NH2 2.77Å; D362-L585 HydrophobicContact CB-CD2 4.15Å; D362-L585 WeakPolarHBondContact OD1-CD2 3.44Å; D362-K588 IonicContact OD1-NZ 3.74Å; D362-K588 PolarHBondContact OD1-NZ 3.16Å; D362-K588 IonicContact OD2-NZ 3.66Å; D362-K588 PolarHBondContact OD2-NZ 3.13Å
363	I	98.1	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-28.6	178.2	-164.6	63.6	0	0	0	112.8	V361 E365 I366 D367 A374 V378 M420 A423 D424 W589	V361-I363 VanDerWaalsContact C-N 3.27Å; V361-I363 PolarHBondContact O-N 2.69Å; I363-E365 VanDerWaalsContact C-N 3.28Å; I363-E365 PolarHBondContact O-N 3.4Å; I363-I366 HydrophobicContact CD1-CB 4.39Å; I363-I366 HydrophobicContact CD1-CD1 4.43Å; I363-I366 PolarHBondContact O-N 3.07Å; I363-D367 WeakPolarHBondContact O-CB 3.34Å; I363-D367 PolarHBondContact O-N 3.45Å; I363-A374 HydrophobicContact CD1-CB 4.35Å; I363-V378 HydrophobicContact CD1-CG2 3.81Å; I363-M420 HydrophobicContact CG1-CG 4.24Å; I363-M420 HydrophobicContact CG2-CG 4.32Å; I363-A423 HydrophobicContact CD1-CB 3.74Å; I363-A423 HydrophobicContact CG1-CB 4.06Å; I363-D424 HydrophobicContact CB-CB 4.38Å; I363-D424 HydrophobicContact CG1-CB 4.17Å; I363-D424 HydrophobicContact CG2-CB 4.01Å; I363-W589 HydrophobicContact CG2-CZ2 3.69Å
364	F	98.1	Very high	96.4	Very high	25 Å²	25	38 Å²	38	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-31.5	172.7	-51.9	-91.4	0	0	0	111.9	D362 R368 M420 L585 K588 W589	D362-F364 PolarHBondContact O-N 2.95Å; D362-F364 VanDerWaalsContact OD1-CB 3.31Å; D362-F364 WeakPolarHBondContact OD1-CB 3.21Å; D362-F364 WeakPolarHBondContact OD1-CD2 3.4Å; D362-F364 PolarHBondContact OD1-N 3.45Å; F364-R368 PolarHBondContact O-N 2.87Å; F364-R368 VanDerWaalsContact O-N 3.14Å; F364-M420 HydrophobicContact CB-SD 4.3Å; F364-M420 HydrophobicContact CD1-CE 4.25Å; F364-M420 HydrophobicContact CD1-SD 3.2Å; F364-M420 WeakPolarHBondContact CD1-SD 3.46Å; F364-M420 HydrophobicContact CE1-SD 3.58Å; F364-M420 VanDerWaalsContact CE1-SD 3.58Å; F364-M420 HydrophobicContact CG-SD 3.9Å; F364-L585 HydrophobicContact CD2-CD2 3.8Å; F364-L585 HydrophobicContact CE2-CB 4.42Å; F364-L585 HydrophobicContact CE2-CD2 3.96Å; F364-K588 HydrophobicContact CB-CD 4.47Å; F364-K588 HydrophobicContact CD1-CD 4Å; F364-K588 HydrophobicContact CD2-CD 3.41Å; F364-K588 VanDerWaalsContact CD2-CD 3.41Å; F364-K588 HydrophobicContact CE1-CB 3.88Å; F364-K588 HydrophobicContact CE1-CD 4.09Å; F364-K588 HydrophobicContact CE2-CB 3.82Å; F364-K588 HydrophobicContact CE2-CD 3.48Å; F364-K588 VanDerWaalsContact CE2-CD 3.48Å; F364-K588 HydrophobicContact CE2-CG 4.33Å; F364-K588 HydrophobicContact CG-CD 3.69Å; F364-K588 HydrophobicContact CZ-CB 3.43Å; F364-K588 VanDerWaalsContact CZ-CB 3.43Å; F364-K588 HydrophobicContact CZ-CD 3.83Å; F364-K588 HydrophobicContact CZ-CG 4.32Å; F364-W589 HydrophobicContact CE1-CD2 4.35Å; F364-W589 HydrophobicContact CE1-CE3 4.42Å; F364-W589 HydrophobicContact CE1-CH2 4.32Å; F364-W589 HydrophobicContact CE1-CZ2 4.3Å; F364-W589 HydrophobicContact CE1-CZ3 4.4Å; F364-W589 HydrophobicContact CE2-CD2 4.39Å; F364-W589 AromaticContact CE2-CE2 3.94Å; F364-W589 HydrophobicContact CE2-CZ2 4.32Å; F364-W589 AromaticContact CE2-NE1 3.91Å; F364-W589 AromaticContact CZ-CD2 3.58Å; F364-W589 HydrophobicContact CZ-CD2 3.58Å; F364-W589 AromaticContact CZ-CE2 3.47Å; F364-W589 VanDerWaalsContact CZ-CE2 3.47Å; F364-W589 HydrophobicContact CZ-CE3 4.08Å; F364-W589 AromaticContact CZ-CG 3.95Å; F364-W589 HydrophobicContact CZ-CG 3.95Å; F364-W589 HydrophobicContact CZ-CH2 4.25Å; F364-W589 AromaticContact CZ-CZ2 3.84Å; F364-W589 HydrophobicContact CZ-CZ2 3.84Å; F364-W589 HydrophobicContact CZ-CZ3 4.38Å; F364-W589 AromaticContact CZ-NE1 3.85Å
365	E	97.4	Very high	96.7	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	16%	0.164	C	C	.	.	H	α-helix	trans	-78.4	-38.4	175.1	-173.7	161.5	-157.3	0	0	111.9	R351 D362 I363 D367 R368 L369	R351-E365 IonicContact CZ-OE1 2.69Å; R351-E365 IonicContact CZ-OE2 2.69Å; R351-E365 IonicContact NH1-OE1 3.16Å; R351-E365 PolarHBondContact NH1-OE1 3.4Å; R351-E365 IonicContact NH1-OE2 3.45Å; R351-E365 PolarHBondContact NH1-OE2 2.92Å; R351-E365 VanDerWaalsContact NH2-CD 3.29Å; R351-E365 IonicContact NH2-OE1 3.47Å; R351-E365 PolarHBondContact NH2-OE1 3.49Å; R351-E365 IonicContact NH2-OE2 3.49Å; R351-E365 PolarHBondContact NH2-OE2 2.77Å; D362-E365 HydrophobicContact CB-CB 3.96Å; D362-E365 WeakPolarHBondContact O-CA 3.43Å; D362-E365 WeakPolarHBondContact O-CB 3.35Å; D362-E365 PolarHBondContact O-N 2.89Å; D362-E365 PolarHBondContact OD1-N 3.43Å; I363-E365 VanDerWaalsContact C-N 3.28Å; I363-E365 PolarHBondContact O-N 3.4Å; E365-D367 VanDerWaalsContact C-N 3.29Å; E365-D367 PolarHBondContact O-N 2.88Å; E365-R368 PolarHBondContact O-N 3.15Å; E365-R368 IonicContact OE1-NH2 2.73Å; E365-R368 PolarHBondContact OE1-NH2 3.46Å; E365-L369 HydrophobicContact CG-CD1 3.95Å; E365-L369 HydrophobicContact CG-CG 4.25Å; E365-L369 WeakPolarHBondContact O-CB 3.47Å; E365-L369 WeakPolarHBondContact O-CG 3.44Å; E365-L369 PolarHBondContact O-N 2.98Å
366	I	97.5	Very high	97	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-42.1	170.9	-67.7	178.6	0	0	0	110.7	L348 F352 V361 D362 I363 L369 S370 A374 V378	L348-I366 HydrophobicContact CD1-CG2 4.15Å; F352-I366 HydrophobicContact CE1-CD1 3.93Å; F352-I366 HydrophobicContact CE1-CG2 4.44Å; F352-I366 HydrophobicContact CZ-CD1 4.5Å; F352-I366 HydrophobicContact CZ-CG2 4.06Å; V361-I366 HydrophobicContact CG1-CD1 3.37Å; V361-I366 HydrophobicContact CG1-CG1 4.38Å; D362-I366 PolarHBondContact O-N 3Å; I363-I366 HydrophobicContact CD1-CB 4.39Å; I363-I366 HydrophobicContact CD1-CD1 4.43Å; I363-I366 PolarHBondContact O-N 3.07Å; I366-L369 PolarHBondContact O-N 3.31Å; I366-S370 WeakPolarHBondContact O-CB 3.34Å; I366-S370 PolarHBondContact O-N 2.98Å; I366-S370 PolarHBondContact O-OG 3.31Å; I366-A374 HydrophobicContact CG2-CB 4.49Å; I366-V378 HydrophobicContact CD1-CG2 4.34Å; I366-V378 HydrophobicContact CG2-CG2 3.88Å
367	D	97.6	Very high	97.1	Very high	31 Å²	31	30.3 Å²	30.3	17%	0.166	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-48.8	174.7	-170.6	69	0	0	0	112.5	I363 E365 L369 S370 N371 G372 A374 M420	I363-D367 WeakPolarHBondContact O-CB 3.34Å; I363-D367 PolarHBondContact O-N 3.45Å; E365-D367 VanDerWaalsContact C-N 3.29Å; E365-D367 PolarHBondContact O-N 2.88Å; D367-L369 VanDerWaalsContact C-N 3.31Å; D367-L369 PolarHBondContact O-N 2.81Å; D367-S370 PolarHBondContact O-N 2.92Å; D367-S370 PolarHBondContact O-OG 3.03Å; D367-N371 PolarHBondContact O-N 3.32Å; D367-G372 PolarHBondContact O-N 2.77Å; D367-G372 VanDerWaalsContact OD1-CA 3.25Å; D367-G372 WeakPolarHBondContact OD1-CA 3.39Å; D367-A374 HydrophobicContact CB-CB 3.86Å; D367-M420 HydrophobicContact CB-CE 3.74Å; D367-M420 HydrophobicContact CB-CG 4.35Å; D367-M420 HydrophobicContact CB-SD 4.5Å; D367-M420 VanDerWaalsContact CG-CE 3.48Å; D367-M420 VanDerWaalsContact OD2-CE 3.24Å; D367-M420 WeakPolarHBondContact OD2-CE 3.22Å
368	R	97.5	Very high	97.1	Very high	122 Å²	122	28.1 Å²	28.1	46%	0.46	14%	0.14	S	C	.	.	H	α-helix	trans	-56.8	-43.9	173.6	-176.3	-165.8	66	77.8	-8.8	111.9	E347 F364 E365	E347-R368 IonicContact OE2-NH2 2.69Å; F364-R368 PolarHBondContact O-N 2.87Å; F364-R368 VanDerWaalsContact O-N 3.14Å; E365-R368 PolarHBondContact O-N 3.15Å; E365-R368 IonicContact OE1-NH2 2.73Å; E365-R368 PolarHBondContact OE1-NH2 3.46Å
369	L	97.5	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.6	-34.7	-176.9	-74.2	171.6	0	0	0	112.3	T342 N344 E347 L348 R351 E365 I366 D367	T342-L369 WeakPolarHBondContact CB-O 3.46Å; T342-L369 PolarHBondContact OG1-O 3.12Å; N344-L369 HydrophobicContact CB-CB 4.46Å; N344-L369 HydrophobicContact CB-CD2 3.63Å; N344-L369 PolarHBondContact ND2-O 3.29Å; E347-L369 HydrophobicContact CB-CD1 4.42Å; E347-L369 HydrophobicContact CB-CD2 3.75Å; E347-L369 VanDerWaalsContact OE2-CD2 3.24Å; E347-L369 WeakPolarHBondContact OE2-CD2 3.26Å; L348-L369 HydrophobicContact CB-CB 4.35Å; L348-L369 HydrophobicContact CD1-CB 4.01Å; L348-L369 HydrophobicContact CD1-CD1 4.45Å; R351-L369 HydrophobicContact CG-CD1 3.89Å; E365-L369 HydrophobicContact CG-CD1 3.95Å; E365-L369 HydrophobicContact CG-CG 4.25Å; E365-L369 WeakPolarHBondContact O-CB 3.47Å; E365-L369 WeakPolarHBondContact O-CG 3.44Å; E365-L369 PolarHBondContact O-N 2.98Å; I366-L369 PolarHBondContact O-N 3.31Å; D367-L369 VanDerWaalsContact C-N 3.31Å; D367-L369 PolarHBondContact O-N 2.81Å
370	S	97.1	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-88.8	1.7	178.4	59.7	0	0	0	0	114.6	I366 D367 H373 A374 T377	I366-S370 WeakPolarHBondContact O-CB 3.34Å; I366-S370 PolarHBondContact O-N 2.98Å; I366-S370 PolarHBondContact O-OG 3.31Å; D367-S370 PolarHBondContact O-N 2.92Å; D367-S370 PolarHBondContact O-OG 3.03Å; S370-H373 PolarHBondContact O-CD2 3.28Å; S370-H373 VanDerWaalsContact OG-C 3.28Å; S370-H373 PolarHBondContact OG-N 3Å; S370-A374 PolarHBondContact OG-N 3.17Å; S370-T377 WeakPolarHBondContact CB-OG1 3.25Å
371	N	96	Very high	97.6	Very high	88 Å²	88	23.7 Å²	23.7	47%	0.471	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	42.5	-176.4	-49.6	-58.9	0	0	0	114.7	T342 D367	T342-N371 WeakPolarHBondContact CB-ND2 3.4Å; T342-N371 PolarHBondContact OG1-ND2 3.04Å; T342-N371 VanDerWaalsContact OG1-ND2 3.1Å; D367-N371 PolarHBondContact O-N 3.32Å
372	G	96.2	Very high	97.7	Very high	31 Å²	31	23.5 Å²	23.5	32%	0.32	12%	0.115	S	C	.	.	S	Bend	trans	89.6	14.1	179.8	0	0	0	0	0	114.3	D367	D367-G372 PolarHBondContact O-N 2.77Å; D367-G372 VanDerWaalsContact OD1-CA 3.25Å; D367-G372 WeakPolarHBondContact OD1-CA 3.39Å
373	H	97.8	Very high	97.7	Very high	66 Å²	66	22.5 Å²	22.5	31%	0.306	11%	0.109	S	C	.	.			trans	-112.4	34.6	-176.1	-70.6	-65.2	0	0	0	112.8	V340 S370 L375 T376 T377 E407	V340-H373 HydrophobicContact CB-CB 4.39Å; V340-H373 HydrophobicContact CG1-CB 3.95Å; V340-H373 HydrophobicContact CG2-CB 4.13Å; S370-H373 PolarHBondContact O-CD2 3.28Å; S370-H373 VanDerWaalsContact OG-C 3.28Å; S370-H373 PolarHBondContact OG-N 3Å; H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.57Å; H373-T376 PolarHBondContact O-N 2.92Å; H373-T377 VanDerWaalsContact O-CB 3.25Å; H373-T377 WeakPolarHBondContact O-CB 3.41Å; H373-T377 PolarHBondContact O-N 2.75Å; H373-T377 PolarHBondContact O-OG1 2.9Å; H373-E407 VanDerWaalsContact CA-OE1 3.25Å; H373-E407 WeakPolarHBondContact CA-OE1 3.14Å; H373-E407 IonicContact CE1-OE2 3.27Å; H373-E407 IonicContact CG-OE2 2.78Å; H373-E407 IonicContact ND1-OE2 3.8Å; H373-E407 PolarHBondContact ND1-OE2 2.86Å
374	A	97.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.3	-43.2	-176.6	0	0	0	0	0	112.8	I363 I366 D367 S370 V378 E407 A423	I363-A374 HydrophobicContact CD1-CB 4.35Å; I366-A374 HydrophobicContact CG2-CB 4.49Å; D367-A374 HydrophobicContact CB-CB 3.86Å; S370-A374 PolarHBondContact OG-N 3.17Å; A374-V378 WeakPolarHBondContact O-CB 3.42Å; A374-V378 WeakPolarHBondContact O-CG2 3.32Å; A374-V378 PolarHBondContact O-N 2.88Å; A374-E407 PolarHBondContact N-OE1 2.91Å; A374-A423 HydrophobicContact CB-CB 3.83Å
375	L	98.6	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-50.1	-175.9	177.2	63.1	0	0	0	110.8	H373 T377 A379 V406 E407 Y410 A422 A423 L426 A455	H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.57Å; L375-T377 VanDerWaalsContact C-N 3.3Å; L375-T377 PolarHBondContact O-N 2.78Å; L375-A379 WeakPolarHBondContact O-CB 3.26Å; L375-A379 PolarHBondContact O-N 3.42Å; L375-V406 HydrophobicContact CD2-CG1 4.14Å; L375-E407 WeakPolarHBondContact CA-OE1 3.27Å; L375-E407 HydrophobicContact CB-CG 4.42Å; L375-E407 VanDerWaalsContact CB-OE1 3.28Å; L375-E407 WeakPolarHBondContact CB-OE1 3.35Å; L375-E407 HydrophobicContact CD2-CB 4.46Å; L375-E407 PolarHBondContact N-OE1 2.82Å; L375-Y410 HydrophobicContact CD2-CD2 4.03Å; L375-Y410 HydrophobicContact CD2-CE2 3.63Å; L375-A422 HydrophobicContact CD1-CB 4.04Å; L375-A422 HydrophobicContact CD2-CB 4.19Å; L375-A423 HydrophobicContact CB-CB 4.12Å; L375-A423 HydrophobicContact CD1-CB 4.41Å; L375-L426 HydrophobicContact CD1-CD2 4.04Å; L375-A455 HydrophobicContact CD1-CB 3.99Å
376	T	98.5	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-45.6	178.7	-63.3	0	0	0	0	111	V340 H373 Y380 V400 L403 L404 E407	V340-T376 HydrophobicContact CG1-CG2 3.62Å; H373-T376 PolarHBondContact O-N 2.92Å; T376-Y380 VanDerWaalsContact O-CB 3.31Å; T376-Y380 WeakPolarHBondContact O-CB 3.34Å; T376-Y380 PolarHBondContact O-N 3.31Å; T376-V400 HydrophobicContact CG2-CG1 4.34Å; T376-L403 HydrophobicContact CG2-CB 4.01Å; T376-L404 HydrophobicContact CG2-CD2 4.05Å; T376-L404 HydrophobicContact CG2-CG 4.02Å; T376-L404 PolarHBondContact OG1-N 3.2Å; T376-E407 WeakPolarHBondContact CB-OE2 3.4Å; T376-E407 PolarHBondContact N-OE1 2.67Å; T376-E407 VanDerWaalsContact N-OE1 3.07Å; T376-E407 VanDerWaalsContact OG1-CD 3.3Å; T376-E407 PolarHBondContact OG1-OE2 2.66Å
377	T	97.9	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-49.6	-175.2	-50.6	0	0	0	0	111.8	H338 V340 L348 F352 S370 H373 L375 Y380 R381	H338-T377 HydrophobicContact CB-CG2 3.69Å; V340-T377 WeakPolarHBondContact CG2-OG1 2.93Å; L348-T377 HydrophobicContact CD1-CG2 4.29Å; L348-T377 HydrophobicContact CD2-CG2 3.8Å; L348-T377 HydrophobicContact CG-CG2 4.28Å; F352-T377 HydrophobicContact CE2-CG2 3.39Å; F352-T377 HydrophobicContact CZ-CG2 3.43Å; F352-T377 VanDerWaalsContact CZ-CG2 3.43Å; S370-T377 WeakPolarHBondContact CB-OG1 3.25Å; H373-T377 VanDerWaalsContact O-CB 3.25Å; H373-T377 WeakPolarHBondContact O-CB 3.41Å; H373-T377 PolarHBondContact O-N 2.75Å; H373-T377 PolarHBondContact O-OG1 2.9Å; L375-T377 VanDerWaalsContact C-N 3.3Å; L375-T377 PolarHBondContact O-N 2.78Å; T377-Y380 PolarHBondContact O-N 3.31Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 3.02Å; T377-R381 VanDerWaalsContact O-N 3.13Å
378	V	98.4	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-46	178.7	168.3	0	0	0	0	110.9	F352 I363 I366 A374 Y380 R381 I382 L426 Q427	F352-V378 HydrophobicContact CE1-CG2 4.04Å; F352-V378 HydrophobicContact CZ-CG2 4.29Å; I363-V378 HydrophobicContact CD1-CG2 3.81Å; I366-V378 HydrophobicContact CD1-CG2 4.34Å; I366-V378 HydrophobicContact CG2-CG2 3.88Å; A374-V378 WeakPolarHBondContact O-CB 3.42Å; A374-V378 WeakPolarHBondContact O-CG2 3.32Å; A374-V378 PolarHBondContact O-N 2.88Å; V378-Y380 PolarHBondContact O-N 3.27Å; V378-R381 PolarHBondContact O-N 3.49Å; V378-I382 HydrophobicContact CG1-CD1 3.51Å; V378-I382 HydrophobicContact CG1-CG1 4.43Å; V378-I382 WeakPolarHBondContact O-CB 3.36Å; V378-I382 WeakPolarHBondContact O-CG1 3.39Å; V378-I382 PolarHBondContact O-N 3.11Å; V378-L426 HydrophobicContact CG1-CD2 4.21Å; V378-L426 HydrophobicContact CG1-CG 4.31Å; V378-Q427 HydrophobicContact CG1-CB 4.03Å
379	A	98.5	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-45.1	177.7	0	0	0	0	0	111.9	L375 R381 I382 F383 F399 L403 L426	L375-A379 WeakPolarHBondContact O-CB 3.26Å; L375-A379 PolarHBondContact O-N 3.42Å; A379-R381 PolarHBondContact O-N 2.89Å; A379-I382 PolarHBondContact O-N 3.38Å; A379-F383 WeakPolarHBondContact O-CB 3.44Å; A379-F383 WeakPolarHBondContact O-CD2 3.36Å; A379-F383 PolarHBondContact O-N 2.87Å; A379-F399 HydrophobicContact CB-CZ 4.46Å; A379-L403 HydrophobicContact CB-CD1 3.53Å; A379-L403 HydrophobicContact CB-CD2 3.84Å; A379-L403 HydrophobicContact CB-CG 4.35Å; A379-L426 HydrophobicContact CB-CD2 3.5Å
380	Y	97.9	Very high	97.4	Very high	15 Å²	15	30.4 Å²	30.4	6%	0.059	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-47.5	177.9	-170.9	-116.1	0	0	0	112.1	L335 T376 T377 V378 F383 Q384 L389 P396 F399 V400	L335-Y380 HydrophobicContact CD2-CE2 4.14Å; L335-Y380 VanDerWaalsContact CD2-OH 3.26Å; L335-Y380 WeakPolarHBondContact CD2-OH 3.01Å; T376-Y380 VanDerWaalsContact O-CB 3.31Å; T376-Y380 WeakPolarHBondContact O-CB 3.34Å; T376-Y380 PolarHBondContact O-N 3.31Å; T377-Y380 PolarHBondContact O-N 3.31Å; V378-Y380 PolarHBondContact O-N 3.27Å; Y380-F383 PolarHBondContact O-N 3.03Å; Y380-Q384 VanDerWaalsContact CE1-CD 3.45Å; Y380-Q384 HydrophobicContact CE1-CG 4.33Å; Y380-Q384 HydrophobicContact CE2-CG 4.35Å; Y380-Q384 VanDerWaalsContact CZ-NE2 3.25Å; Y380-Q384 WeakPolarHBondContact O-CB 3.44Å; Y380-Q384 WeakPolarHBondContact O-CG 3.45Å; Y380-Q384 PolarHBondContact O-N 2.9Å; Y380-Q384 PolarHBondContact OH-NE2 2.98Å; Y380-Q384 VanDerWaalsContact OH-NE2 3.12Å; Y380-L389 HydrophobicContact CD2-CD1 4.28Å; Y380-L389 HydrophobicContact CE2-CD1 3.87Å; Y380-P396 HydrophobicContact CE2-CB 4.19Å; Y380-F399 AromaticContact CD2-CD1 3.98Å; Y380-F399 HydrophobicContact CD2-CD1 3.98Å; Y380-F399 HydrophobicContact CD2-CE1 4.36Å; Y380-V400 HydrophobicContact CD2-CG2 3.76Å; Y380-V400 HydrophobicContact CE2-CG2 4Å; Y380-V400 HydrophobicContact CG-CG2 4.28Å
381	R	97.4	Very high	97.3	Very high	40 Å²	40	33 Å²	33	15%	0.151	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-39.8	179.6	-65.9	-58.8	-60.4	-139.7	-10.9	113.4	H338 E349 F352 L356 T377 V378 A379 K385	H338-R381 PolarHBondContact ND1-NH1 3.27Å; E349-R381 IonicContact OE1-CZ 3.51Å; E349-R381 IonicContact OE1-NH1 3.69Å; E349-R381 PolarHBondContact OE1-NH1 2.98Å; E349-R381 IonicContact OE1-NH2 3.24Å; E349-R381 PolarHBondContact OE1-NH2 3.48Å; E349-R381 IonicContact OE2-CZ 2.79Å; E349-R381 IonicContact OE2-NH1 2.72Å; E349-R381 PolarHBondContact OE2-NH1 3.45Å; E349-R381 IonicContact OE2-NH2 3.32Å; E349-R381 PolarHBondContact OE2-NH2 2.91Å; F352-R381 HydrophobicContact CD1-CB 4.32Å; F352-R381 HydrophobicContact CD1-CG 4.29Å; F352-R381 HydrophobicContact CD2-CG 3.7Å; F352-R381 HydrophobicContact CE1-CB 4.39Å; F352-R381 HydrophobicContact CE1-CG 4.3Å; F352-R381 HydrophobicContact CE2-CG 3.7Å; F352-R381 HydrophobicContact CG-CB 4.41Å; F352-R381 HydrophobicContact CG-CG 4Å; F352-R381 HydrophobicContact CZ-CG 4.01Å; L356-R381 HydrophobicContact CD2-CB 3.89Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 3.02Å; T377-R381 VanDerWaalsContact O-N 3.13Å; V378-R381 PolarHBondContact O-N 3.49Å; A379-R381 PolarHBondContact O-N 2.89Å; R381-K385 VanDerWaalsContact O-CB 3.23Å; R381-K385 WeakPolarHBondContact O-CB 3.48Å; R381-K385 PolarHBondContact O-N 3.23Å
382	I	98.2	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-45.6	174.9	-72.5	166.6	0	0	0	111	L356 V378 A379 K385 R386 L426 H430 L451	L356-I382 HydrophobicContact CD1-CD1 4.33Å; L356-I382 HydrophobicContact CD1-CG1 3.93Å; L356-I382 HydrophobicContact CD2-CG1 4.39Å; L356-I382 HydrophobicContact CG-CG1 4.44Å; V378-I382 HydrophobicContact CG1-CD1 3.51Å; V378-I382 HydrophobicContact CG1-CG1 4.43Å; V378-I382 WeakPolarHBondContact O-CB 3.36Å; V378-I382 WeakPolarHBondContact O-CG1 3.39Å; V378-I382 PolarHBondContact O-N 3.11Å; A379-I382 PolarHBondContact O-N 3.38Å; I382-K385 PolarHBondContact O-N 2.99Å; I382-R386 PolarHBondContact O-N 3.05Å; I382-L426 HydrophobicContact CD1-CD1 4.43Å; I382-L426 HydrophobicContact CD1-CG 3.93Å; I382-H430 HydrophobicContact CD1-CB 3.71Å; I382-H430 HydrophobicContact CG1-CB 4.11Å; I382-H430 HydrophobicContact CG2-CB 4.18Å; I382-L451 HydrophobicContact CG2-CD1 3.8Å; I382-L451 HydrophobicContact CG2-CD2 4.13Å
383	F	98	Very high	97.3	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-71	-31.5	-177.6	-83.1	-124.2	0	0	0	112.7	A379 Y380 D387 L388 L389 F399 L448 L451	A379-F383 WeakPolarHBondContact O-CB 3.44Å; A379-F383 WeakPolarHBondContact O-CD2 3.36Å; A379-F383 PolarHBondContact O-N 2.87Å; Y380-F383 PolarHBondContact O-N 3.03Å; F383-D387 PolarHBondContact O-N 3.41Å; F383-L388 HydrophobicContact CB-CB 4.43Å; F383-L388 HydrophobicContact CD1-CB 4.01Å; F383-L388 HydrophobicContact CD1-CD1 4.12Å; F383-L388 HydrophobicContact CD2-CD1 4.35Å; F383-L388 HydrophobicContact CE1-CD1 4.36Å; F383-L388 HydrophobicContact CG-CB 4.37Å; F383-L388 HydrophobicContact CG-CD1 4.13Å; F383-L388 PolarHBondContact O-N 2.75Å; F383-L389 HydrophobicContact CB-CD2 3.99Å; F383-L389 HydrophobicContact CB-CG 4.03Å; F383-L389 HydrophobicContact CD1-CD2 4.16Å; F383-F399 HydrophobicContact CB-CE1 4.03Å; F383-F399 HydrophobicContact CB-CZ 3.92Å; F383-F399 HydrophobicContact CD1-CD2 4.36Å; F383-F399 HydrophobicContact CD1-CE1 4.16Å; F383-F399 AromaticContact CD1-CE2 3.4Å; F383-F399 HydrophobicContact CD1-CE2 3.4Å; F383-F399 AromaticContact CD1-CZ 3.26Å; F383-F399 HydrophobicContact CD1-CZ 3.26Å; F383-F399 HydrophobicContact CD2-CE1 4.48Å; F383-F399 AromaticContact CD2-CZ 3.76Å; F383-F399 HydrophobicContact CD2-CZ 3.76Å; F383-F399 AromaticContact CE1-CE2 3.4Å; F383-F399 HydrophobicContact CE1-CE2 3.4Å; F383-F399 AromaticContact CE1-CZ 3.54Å; F383-F399 HydrophobicContact CE1-CZ 3.54Å; F383-F399 HydrophobicContact CE2-CZ 4.01Å; F383-F399 AromaticContact CG-CE1 3.99Å; F383-F399 HydrophobicContact CG-CE1 3.99Å; F383-F399 HydrophobicContact CG-CE2 4.03Å; F383-F399 AromaticContact CG-CZ 3.37Å; F383-F399 HydrophobicContact CG-CZ 3.37Å; F383-F399 HydrophobicContact CZ-CE2 4.04Å; F383-F399 AromaticContact CZ-CZ 3.91Å; F383-F399 HydrophobicContact CZ-CZ 3.91Å; F383-L448 HydrophobicContact CD1-CD1 4.32Å; F383-L448 HydrophobicContact CE1-CD1 3.41Å; F383-L448 VanDerWaalsContact CE1-CD1 3.41Å; F383-L448 HydrophobicContact CZ-CD1 3.99Å; F383-L451 HydrophobicContact CE2-CB 3.88Å; F383-L451 HydrophobicContact CZ-CB 4.22Å
384	Q	96	Very high	97.3	Very high	74 Å²	74	29 Å²	29	35%	0.346	14%	0.143	S	C	.	.	H	α-helix	trans	-65.9	-49.2	167.2	-75.7	-179.2	-40	0	0	111.4	Y380 R386 D387 L389	Y380-Q384 VanDerWaalsContact CE1-CD 3.45Å; Y380-Q384 HydrophobicContact CE1-CG 4.33Å; Y380-Q384 HydrophobicContact CE2-CG 4.35Å; Y380-Q384 VanDerWaalsContact CZ-NE2 3.25Å; Y380-Q384 WeakPolarHBondContact O-CB 3.44Å; Y380-Q384 WeakPolarHBondContact O-CG 3.45Å; Y380-Q384 PolarHBondContact O-N 2.9Å; Y380-Q384 PolarHBondContact OH-NE2 2.98Å; Y380-Q384 VanDerWaalsContact OH-NE2 3.12Å; Q384-R386 VanDerWaalsContact C-N 3.34Å; Q384-R386 PolarHBondContact O-N 3Å; Q384-D387 WeakPolarHBondContact O-CA 3.49Å; Q384-D387 PolarHBondContact O-N 3.33Å; Q384-L389 HydrophobicContact CG-CD1 3.95Å
385	K	95.9	Very high	97.2	Very high	98 Å²	98	32.7 Å²	32.7	43%	0.426	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-35.9	-175.4	-173	164.5	-169.6	168.3	0	113.5	L356 D357 R381 I382 D387	L356-K385 HydrophobicContact CD2-CD 4.21Å; D357-K385 VanDerWaalsContact OD1-CE 3.24Å; D357-K385 WeakPolarHBondContact OD1-CE 3.39Å; D357-K385 IonicContact OD1-NZ 2.93Å; D357-K385 PolarHBondContact OD1-NZ 3.01Å; D357-K385 WeakPolarHBondContact OD2-CE 3.47Å; D357-K385 IonicContact OD2-NZ 2.6Å; D357-K385 PolarHBondContact OD2-NZ 3.27Å; R381-K385 VanDerWaalsContact O-CB 3.23Å; R381-K385 WeakPolarHBondContact O-CB 3.48Å; R381-K385 PolarHBondContact O-N 3.23Å; I382-K385 PolarHBondContact O-N 2.99Å; K385-D387 VanDerWaalsContact C-N 3.28Å
386	R	96.3	Very high	97.1	Very high	16 Å²	16	35 Å²	35	6%	0.06	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	10.8	173.9	-66.4	-175.7	176.3	-83	-3	113.7	I382 Q384 L388 H430	I382-R386 PolarHBondContact O-N 3.05Å; Q384-R386 VanDerWaalsContact C-N 3.34Å; Q384-R386 PolarHBondContact O-N 3Å; R386-L388 HydrophobicContact CB-CD1 4.02Å; R386-L388 HydrophobicContact CB-CD2 4.43Å; R386-L388 HydrophobicContact CB-CG 3.76Å; R386-L388 PolarHBondContact O-N 3.47Å; R386-H430 PolarHBondContact NE-CE1 2.95Å; R386-H430 PolarHBondContact NE-ND1 3.28Å; R386-H430 PolarHBondContact NH2-ND1 2.83Å; R386-H430 PolarHBondContact NH2-O 2.9Å
387	D	97	Very high	97	Very high	46 Å²	46	38 Å²	38	25%	0.246	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	17.4	-177.5	-154.8	33.7	0	0	0	114.5	F383 Q384 K385 L389 K390 T391	F383-D387 PolarHBondContact O-N 3.41Å; Q384-D387 WeakPolarHBondContact O-CA 3.49Å; Q384-D387 PolarHBondContact O-N 3.33Å; K385-D387 VanDerWaalsContact C-N 3.28Å; D387-L389 VanDerWaalsContact C-N 3.31Å; D387-L389 PolarHBondContact O-N 3.18Å; D387-K390 PolarHBondContact O-N 2.7Å; D387-K390 VanDerWaalsContact OD1-CB 3.26Å; D387-K390 WeakPolarHBondContact OD1-CB 3.34Å; D387-K390 IonicContact OD1-NZ 3.91Å; D387-K390 PolarHBondContact OD1-NZ 3.29Å; D387-K390 IonicContact OD2-NZ 3.5Å; D387-K390 PolarHBondContact OD2-NZ 3.23Å; D387-T391 WeakPolarHBondContact O-CB 3.5Å; D387-T391 PolarHBondContact O-N 3.23Å; D387-T391 PolarHBondContact O-OG1 2.81Å
388	L	97.6	Very high	97	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-36.1	-171.5	-64.8	174.5	0	0	0	112	F383 R386 K390 T391 F392 I447 L451	F383-L388 HydrophobicContact CB-CB 4.43Å; F383-L388 HydrophobicContact CD1-CB 4.01Å; F383-L388 HydrophobicContact CD1-CD1 4.12Å; F383-L388 HydrophobicContact CD2-CD1 4.35Å; F383-L388 HydrophobicContact CE1-CD1 4.36Å; F383-L388 HydrophobicContact CG-CB 4.37Å; F383-L388 HydrophobicContact CG-CD1 4.13Å; F383-L388 PolarHBondContact O-N 2.75Å; R386-L388 HydrophobicContact CB-CD1 4.02Å; R386-L388 HydrophobicContact CB-CD2 4.43Å; R386-L388 HydrophobicContact CB-CG 3.76Å; R386-L388 PolarHBondContact O-N 3.47Å; L388-K390 VanDerWaalsContact C-N 3.26Å; L388-K390 PolarHBondContact O-N 3.43Å; L388-T391 PolarHBondContact O-N 3.15Å; L388-F392 HydrophobicContact CD2-CD2 4.36Å; L388-F392 HydrophobicContact CD2-CE2 3.99Å; L388-F392 WeakPolarHBondContact O-CB 3.47Å; L388-F392 WeakPolarHBondContact O-CD2 3.47Å; L388-F392 PolarHBondContact O-N 3.08Å; L388-I447 HydrophobicContact CD1-CG2 4.24Å; L388-I447 HydrophobicContact CD2-CG2 4.25Å; L388-L451 HydrophobicContact CD1-CD1 3.81Å
389	L	97.1	Very high	97	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-41.1	175.9	-58.7	-179.1	0	0	0	111.1	Y380 F383 Q384 D387 C393 I394 P396 F399	Y380-L389 HydrophobicContact CD2-CD1 4.28Å; Y380-L389 HydrophobicContact CE2-CD1 3.87Å; F383-L389 HydrophobicContact CB-CD2 3.99Å; F383-L389 HydrophobicContact CB-CG 4.03Å; F383-L389 HydrophobicContact CD1-CD2 4.16Å; Q384-L389 HydrophobicContact CG-CD1 3.95Å; D387-L389 VanDerWaalsContact C-N 3.31Å; D387-L389 PolarHBondContact O-N 3.18Å; L389-C393 CarbonylContact O-C 3.58Å; L389-C393 WeakPolarHBondContact O-CA 3.32Å; L389-C393 PolarHBondContact O-N 3.47Å; L389-C393 VanDerWaalsContact O-N 3.16Å; L389-I394 HydrophobicContact CD2-CB 4.05Å; L389-I394 HydrophobicContact CD2-CG2 4.2Å; L389-I394 PolarHBondContact O-N 3.47Å; L389-P396 HydrophobicContact CD1-CG 4.44Å; L389-F399 HydrophobicContact CD2-CB 4.1Å; L389-F399 HydrophobicContact CD2-CD1 3.84Å; L389-F399 HydrophobicContact CD2-CD2 3.94Å; L389-F399 HydrophobicContact CD2-CE1 4.2Å; L389-F399 HydrophobicContact CD2-CE2 4.34Å; L389-F399 HydrophobicContact CD2-CG 3.68Å; L389-F399 HydrophobicContact CD2-CZ 4.45Å
390	K	96.6	Very high	96.9	Very high	145 Å²	145	40 Å²	40	63%	0.63	20%	0.203	S	C	*	.	H	α-helix	trans	-79.1	-45.4	179.4	-178.5	162.2	134.5	-101.2	0	111.9	D387 L388 F392 C393	D387-K390 PolarHBondContact O-N 2.7Å; D387-K390 VanDerWaalsContact OD1-CB 3.26Å; D387-K390 WeakPolarHBondContact OD1-CB 3.34Å; D387-K390 IonicContact OD1-NZ 3.91Å; D387-K390 PolarHBondContact OD1-NZ 3.29Å; D387-K390 IonicContact OD2-NZ 3.5Å; D387-K390 PolarHBondContact OD2-NZ 3.23Å; L388-K390 VanDerWaalsContact C-N 3.26Å; L388-K390 PolarHBondContact O-N 3.43Å; K390-F392 PolarHBondContact O-N 3.14Å; K390-C393 PolarHBondContact O-N 2.71Å
391	T	95.6	Very high	96.9	Very high	55 Å²	55	44 Å²	44	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-57	-33.6	178.6	-65.2	0	0	0	0	112.9	D387 L388 D444	D387-T391 WeakPolarHBondContact O-CB 3.5Å; D387-T391 PolarHBondContact O-N 3.23Å; D387-T391 PolarHBondContact O-OG1 2.81Å; L388-T391 PolarHBondContact O-N 3.15Å; T391-D444 HydrophobicContact CG2-CB 3.94Å
392	F	96.2	Very high	97	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.039	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.9	179.8	-66.9	-66.9	0	0	0	115	M231 L388 K390 I394 D444 L445 L448 L509	M231-F392 HydrophobicContact CE-CE1 4.05Å; M231-F392 HydrophobicContact CE-CZ 4.21Å; L388-F392 HydrophobicContact CD2-CD2 4.36Å; L388-F392 HydrophobicContact CD2-CE2 3.99Å; L388-F392 WeakPolarHBondContact O-CB 3.47Å; L388-F392 WeakPolarHBondContact O-CD2 3.47Å; L388-F392 PolarHBondContact O-N 3.08Å; K390-F392 PolarHBondContact O-N 3.14Å; F392-I394 HydrophobicContact CB-CD1 4.04Å; F392-I394 HydrophobicContact CB-CG1 3.78Å; F392-I394 PolarHBondContact O-N 2.9Å; F392-D444 HydrophobicContact CE2-CB 3.81Å; F392-D444 VanDerWaalsContact CE2-O 3.26Å; F392-D444 WeakPolarHBondContact CE2-O 3.29Å; F392-D444 VanDerWaalsContact CZ-C 3.45Å; F392-D444 HydrophobicContact CZ-CB 3.74Å; F392-D444 WeakPolarHBondContact CZ-O 3.24Å; F392-L445 HydrophobicContact CD1-CD1 4.48Å; F392-L445 HydrophobicContact CE1-CB 4.46Å; F392-L445 HydrophobicContact CE1-CD1 3.68Å; F392-L445 HydrophobicContact CZ-CB 4.16Å; F392-L445 HydrophobicContact CZ-CD1 4Å; F392-L448 HydrophobicContact CD1-CD2 4.31Å; F392-L448 HydrophobicContact CD2-CB 4.38Å; F392-L448 HydrophobicContact CD2-CD2 3.74Å; F392-L448 HydrophobicContact CD2-CG 4.47Å; F392-L448 HydrophobicContact CE1-CD2 4.46Å; F392-L448 HydrophobicContact CE2-CB 3.92Å; F392-L448 HydrophobicContact CE2-CD2 3.93Å; F392-L448 HydrophobicContact CE2-CG 4.46Å; F392-L448 HydrophobicContact CG-CD2 3.94Å; F392-L448 HydrophobicContact CZ-CB 4.45Å; F392-L448 HydrophobicContact CZ-CD2 4.28Å; F392-L509 HydrophobicContact CB-CD2 3.99Å; F392-L509 HydrophobicContact CD1-CD2 3.44Å; F392-L509 VanDerWaalsContact CD1-CD2 3.44Å; F392-L509 HydrophobicContact CE1-CD2 4.31Å; F392-L509 HydrophobicContact CG-CD2 4.07Å
393	C	96.7	Very high	97	Very high	83 Å²	83	42.4 Å²	42.4	56%	0.561	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.2	-177	-58.7	0	0	0	0	112.9	L389 K390 N508	L389-C393 CarbonylContact O-C 3.58Å; L389-C393 WeakPolarHBondContact O-CA 3.32Å; L389-C393 PolarHBondContact O-N 3.47Å; L389-C393 VanDerWaalsContact O-N 3.16Å; K390-C393 PolarHBondContact O-N 2.71Å; C393-N508 HydrophobicContact CB-CB 4.03Å; C393-N508 PolarHBondContact O-ND2 3.31Å
394	I	97.2	Very high	97	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.041	23%	0.227	C	C	.	.			trans	-81.7	120.1	176.6	-48.1	-178.3	0	0	0	108	L389 F392 P396 F399 L448 I505	L389-I394 HydrophobicContact CD2-CB 4.05Å; L389-I394 HydrophobicContact CD2-CG2 4.2Å; L389-I394 PolarHBondContact O-N 3.47Å; F392-I394 HydrophobicContact CB-CD1 4.04Å; F392-I394 HydrophobicContact CB-CG1 3.78Å; F392-I394 PolarHBondContact O-N 2.9Å; I394-P396 WeakPolarHBondContact O-CD 3.45Å; I394-F399 HydrophobicContact CG2-CB 3.91Å; I394-F399 HydrophobicContact CG2-CD2 4.02Å; I394-F399 HydrophobicContact CG2-CG 4.34Å; I394-L448 HydrophobicContact CD1-CD1 4.45Å; I394-I505 HydrophobicContact CG2-CB 3.81Å; I394-I505 HydrophobicContact CG2-CG2 4.1Å
395	D	96.3	Very high	97.1	Very high	77 Å²	77	44.9 Å²	44.9	41%	0.412	22%	0.223	S	C	.	.			trans	-64.3	123.7	174.5	179.5	-60.5	0	0	0	110	H397 V398 F399	D395-H397 VanDerWaalsContact C-N 3.28Å; D395-H397 PolarHBondContact O-N 2.98Å; D395-H397 WeakPolarHBondContact OD1-CA 3.46Å; D395-H397 VanDerWaalsContact OD1-CB 3.29Å; D395-H397 WeakPolarHBondContact OD1-CB 3.35Å; D395-H397 IonicContact OD1-CD2 2.75Å; D395-H397 IonicContact OD1-CG 3.92Å; D395-H397 PolarHBondContact OD1-N 3.48Å; D395-V398 HydrophobicContact CB-CB 4.01Å; D395-V398 HydrophobicContact CB-CG2 3.79Å; D395-V398 PolarHBondContact O-N 3.47Å; D395-V398 VanDerWaalsContact O-N 3.08Å; D395-V398 PolarHBondContact OD1-N 3.25Å; D395-V398 VanDerWaalsContact OD1-N 3.14Å; D395-F399 PolarHBondContact O-N 3.14Å
396	P	96.8	Very high	97.2	Very high	48 Å²	48	40.2 Å²	40.2	31%	0.312	20%	0.202	S	C	.	.	H	α-helix	trans	-57.2	-33.8	-178.2	-30.1	38.2	0	0	0	114.7	L335 Y380 L389 I394 F399 V400	L335-P396 HydrophobicContact CD2-CB 3.46Å; L335-P396 VanDerWaalsContact CD2-CB 3.46Å; Y380-P396 HydrophobicContact CE2-CB 4.19Å; L389-P396 HydrophobicContact CD1-CG 4.44Å; I394-P396 WeakPolarHBondContact O-CD 3.45Å; P396-F399 PolarHBondContact O-N 2.85Å; P396-V400 WeakPolarHBondContact O-CG2 3.4Å; P396-V400 PolarHBondContact O-N 3.39Å
397	H	96.2	Very high	97.3	Very high	65 Å²	65	40 Å²	40	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-73.5	-35	176.6	-59.2	-85.2	0	0	0	112	P333 D395 R401	P333-H397 PolarHBondContact O-CE1 2.88Å; D395-H397 VanDerWaalsContact C-N 3.28Å; D395-H397 PolarHBondContact O-N 2.98Å; D395-H397 WeakPolarHBondContact OD1-CA 3.46Å; D395-H397 VanDerWaalsContact OD1-CB 3.29Å; D395-H397 WeakPolarHBondContact OD1-CB 3.35Å; D395-H397 IonicContact OD1-CD2 2.75Å; D395-H397 IonicContact OD1-CG 3.92Å; D395-H397 PolarHBondContact OD1-N 3.48Å; H397-R401 VanDerWaalsContact O-CB 3.23Å; H397-R401 WeakPolarHBondContact O-CB 3.07Å; H397-R401 PolarHBondContact O-N 2.92Å
398	V	97.3	Very high	97.3	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-40.3	172.7	177.1	0	0	0	0	110.2	D395 R401 Y402 I505	D395-V398 HydrophobicContact CB-CB 4.01Å; D395-V398 HydrophobicContact CB-CG2 3.79Å; D395-V398 PolarHBondContact O-N 3.47Å; D395-V398 VanDerWaalsContact O-N 3.08Å; D395-V398 PolarHBondContact OD1-N 3.25Å; D395-V398 VanDerWaalsContact OD1-N 3.14Å; V398-R401 PolarHBondContact O-N 3.47Å; V398-Y402 WeakPolarHBondContact O-CB 3.39Å; V398-Y402 PolarHBondContact O-N 3.32Å; V398-I505 HydrophobicContact CG1-CG2 3.98Å
399	F	98.1	Very high	97.4	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-51.2	178	-170.5	-104.6	0	0	0	113.1	A379 Y380 F383 L389 I394 D395 P396 R401 Y402 L403 I505	A379-F399 HydrophobicContact CB-CZ 4.46Å; Y380-F399 AromaticContact CD2-CD1 3.98Å; Y380-F399 HydrophobicContact CD2-CD1 3.98Å; Y380-F399 HydrophobicContact CD2-CE1 4.36Å; F383-F399 HydrophobicContact CB-CE1 4.03Å; F383-F399 HydrophobicContact CB-CZ 3.92Å; F383-F399 HydrophobicContact CD1-CD2 4.36Å; F383-F399 HydrophobicContact CD1-CE1 4.16Å; F383-F399 AromaticContact CD1-CE2 3.4Å; F383-F399 HydrophobicContact CD1-CE2 3.4Å; F383-F399 AromaticContact CD1-CZ 3.26Å; F383-F399 HydrophobicContact CD1-CZ 3.26Å; F383-F399 HydrophobicContact CD2-CE1 4.48Å; F383-F399 AromaticContact CD2-CZ 3.76Å; F383-F399 HydrophobicContact CD2-CZ 3.76Å; F383-F399 AromaticContact CE1-CE2 3.4Å; F383-F399 HydrophobicContact CE1-CE2 3.4Å; F383-F399 AromaticContact CE1-CZ 3.54Å; F383-F399 HydrophobicContact CE1-CZ 3.54Å; F383-F399 HydrophobicContact CE2-CZ 4.01Å; F383-F399 AromaticContact CG-CE1 3.99Å; F383-F399 HydrophobicContact CG-CE1 3.99Å; F383-F399 HydrophobicContact CG-CE2 4.03Å; F383-F399 AromaticContact CG-CZ 3.37Å; F383-F399 HydrophobicContact CG-CZ 3.37Å; F383-F399 HydrophobicContact CZ-CE2 4.04Å; F383-F399 AromaticContact CZ-CZ 3.91Å; F383-F399 HydrophobicContact CZ-CZ 3.91Å; L389-F399 HydrophobicContact CD2-CB 4.1Å; L389-F399 HydrophobicContact CD2-CD1 3.84Å; L389-F399 HydrophobicContact CD2-CD2 3.94Å; L389-F399 HydrophobicContact CD2-CE1 4.2Å; L389-F399 HydrophobicContact CD2-CE2 4.34Å; L389-F399 HydrophobicContact CD2-CG 3.68Å; L389-F399 HydrophobicContact CD2-CZ 4.45Å; I394-F399 HydrophobicContact CG2-CB 3.91Å; I394-F399 HydrophobicContact CG2-CD2 4.02Å; I394-F399 HydrophobicContact CG2-CG 4.34Å; D395-F399 PolarHBondContact O-N 3.14Å; P396-F399 PolarHBondContact O-N 2.85Å; F399-R401 VanDerWaalsContact C-N 3.34Å; F399-R401 PolarHBondContact O-N 3.07Å; F399-Y402 PolarHBondContact O-N 3.36Å; F399-L403 HydrophobicContact CD1-CD1 3.63Å; F399-L403 HydrophobicContact CE1-CD1 3.19Å; F399-L403 HydrophobicContact CE1-CG 4.28Å; F399-L403 HydrophobicContact CE2-CD1 4.3Å; F399-L403 HydrophobicContact CG-CD1 4.37Å; F399-L403 HydrophobicContact CZ-CD1 3.57Å; F399-L403 HydrophobicContact CZ-CG 4.3Å; F399-L403 PolarHBondContact O-N 2.9Å; F399-I505 HydrophobicContact CB-CG2 4.22Å; F399-I505 HydrophobicContact CD2-CB 4.4Å; F399-I505 HydrophobicContact CD2-CD1 4.15Å; F399-I505 HydrophobicContact CD2-CG2 3.93Å; F399-I505 HydrophobicContact CE2-CD1 4.2Å
400	V	97.6	Very high	97.4	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-40.3	175.8	168.1	0	0	0	0	111.4	L335 G339 T376 Y380 P396 Y402 L403 L404	L335-V400 HydrophobicContact CD1-CB 4.29Å; L335-V400 HydrophobicContact CD1-CG1 4.39Å; L335-V400 HydrophobicContact CD1-CG2 4.15Å; L335-V400 HydrophobicContact CD2-CG2 4.45Å; G339-V400 VanDerWaalsContact O-CG1 3.29Å; G339-V400 WeakPolarHBondContact O-CG1 3.47Å; T376-V400 HydrophobicContact CG2-CG1 4.34Å; Y380-V400 HydrophobicContact CD2-CG2 3.76Å; Y380-V400 HydrophobicContact CE2-CG2 4Å; Y380-V400 HydrophobicContact CG-CG2 4.28Å; P396-V400 WeakPolarHBondContact O-CG2 3.4Å; P396-V400 PolarHBondContact O-N 3.39Å; V400-Y402 PolarHBondContact O-N 2.97Å; V400-L403 PolarHBondContact O-N 3.28Å; V400-L404 HydrophobicContact CG1-CD1 3.82Å; V400-L404 HydrophobicContact CG1-CG 4.29Å; V400-L404 WeakPolarHBondContact O-CB 3.4Å; V400-L404 WeakPolarHBondContact O-CG 3.47Å; V400-L404 PolarHBondContact O-N 3.02Å
401	R	97.4	Very high	97.5	Very high	99 Å²	99	37.6 Å²	37.6	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-43.2	176.6	-172.6	-178.2	-56.6	97.3	8.2	112.3	H397 V398 F399 R405 D502	H397-R401 VanDerWaalsContact O-CB 3.23Å; H397-R401 WeakPolarHBondContact O-CB 3.07Å; H397-R401 PolarHBondContact O-N 2.92Å; V398-R401 PolarHBondContact O-N 3.47Å; F399-R401 VanDerWaalsContact C-N 3.34Å; F399-R401 PolarHBondContact O-N 3.07Å; R401-R405 WeakPolarHBondContact O-CB 3.28Å; R401-R405 PolarHBondContact O-N 3.47Å; R401-R405 VanDerWaalsContact O-N 3.12Å; R401-D502 WeakPolarHBondContact CD-O 3.39Å; R401-D502 PolarHBondContact NH1-O 2.93Å
402	Y	98.5	Very high	97.5	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-48.6	175.8	176.2	-95.4	0	0	0	111.4	V398 F399 V400 R405 V406 F452 A494 I497 L498 C503 I505	V398-Y402 WeakPolarHBondContact O-CB 3.39Å; V398-Y402 PolarHBondContact O-N 3.32Å; F399-Y402 PolarHBondContact O-N 3.36Å; V400-Y402 PolarHBondContact O-N 2.97Å; Y402-R405 WeakPolarHBondContact O-CB 3.32Å; Y402-R405 PolarHBondContact O-N 2.74Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-V406 HydrophobicContact CD1-CG2 4.14Å; Y402-V406 HydrophobicContact CE1-CG2 3.5Å; Y402-V406 VanDerWaalsContact CE1-CG2 3.5Å; Y402-V406 HydrophobicContact CE2-CG2 4.04Å; Y402-V406 VanDerWaalsContact CZ-CG2 3.44Å; Y402-V406 PolarHBondContact O-N 3.41Å; Y402-F452 HydrophobicContact CD1-CE2 4.5Å; Y402-F452 HydrophobicContact CE1-CD2 4.49Å; Y402-F452 AromaticContact CE1-CE2 3.52Å; Y402-F452 HydrophobicContact CE1-CE2 3.52Å; Y402-F452 HydrophobicContact CE1-CZ 4.18Å; Y402-F452 AromaticContact CZ-CE2 3.78Å; Y402-F452 AromaticContact CZ-CZ 3.97Å; Y402-F452 VanDerWaalsContact OH-CZ 3.31Å; Y402-F452 WeakPolarHBondContact OH-CZ 3.14Å; Y402-A494 PolarHBondContact OH-O 3.45Å; Y402-I497 HydrophobicContact CD2-CG2 3.71Å; Y402-I497 HydrophobicContact CE2-CB 3.94Å; Y402-I497 HydrophobicContact CE2-CG2 3.56Å; Y402-L498 HydrophobicContact CD2-CD2 3.66Å; Y402-L498 HydrophobicContact CD2-CG 4.27Å; Y402-L498 HydrophobicContact CE2-CB 4.45Å; Y402-L498 HydrophobicContact CE2-CD2 3.39Å; Y402-L498 HydrophobicContact CE2-CG 3.58Å; Y402-L498 HydrophobicContact CG-CD2 4.42Å; Y402-C503 HydrophobicContact CD2-CB 4.27Å; Y402-C503 VanDerWaalsContact CD2-O 3.24Å; Y402-C503 WeakPolarHBondContact CD2-O 3.21Å; Y402-I505 HydrophobicContact CD1-CD1 4.04Å; Y402-I505 HydrophobicContact CD1-CG1 4.42Å; Y402-I505 HydrophobicContact CD1-CG2 4.4Å; Y402-I505 HydrophobicContact CE1-CD1 4.29Å; Y402-I505 HydrophobicContact CG-CG1 4.43Å; Y402-I505 HydrophobicContact CG-CG2 4.03Å
403	L	98.4	Very high	97.6	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-46	-179.8	-75.6	169.2	0	0	0	112.7	T376 A379 F399 V400 R405 V406 E407	T376-L403 HydrophobicContact CG2-CB 4.01Å; A379-L403 HydrophobicContact CB-CD1 3.53Å; A379-L403 HydrophobicContact CB-CD2 3.84Å; A379-L403 HydrophobicContact CB-CG 4.35Å; F399-L403 HydrophobicContact CD1-CD1 3.63Å; F399-L403 HydrophobicContact CE1-CD1 3.19Å; F399-L403 HydrophobicContact CE1-CG 4.28Å; F399-L403 HydrophobicContact CE2-CD1 4.3Å; F399-L403 HydrophobicContact CG-CD1 4.37Å; F399-L403 HydrophobicContact CZ-CD1 3.57Å; F399-L403 HydrophobicContact CZ-CG 4.3Å; F399-L403 PolarHBondContact O-N 2.9Å; V400-L403 PolarHBondContact O-N 3.28Å; L403-R405 PolarHBondContact O-N 2.8Å; L403-V406 PolarHBondContact O-N 3.22Å; L403-V406 VanDerWaalsContact O-N 3.14Å; L403-E407 VanDerWaalsContact O-CB 3.24Å; L403-E407 WeakPolarHBondContact O-CB 3.3Å; L403-E407 PolarHBondContact O-N 3.39Å
404	L	97.9	Very high	97.6	Very high	60 Å²	60	41.2 Å²	41.2	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-58.2	-32.8	174.3	-73.6	171.4	0	0	0	111.8	V340 T376 V400 S408	V340-L404 HydrophobicContact CG1-CD2 4.02Å; T376-L404 HydrophobicContact CG2-CD2 4.05Å; T376-L404 HydrophobicContact CG2-CG 4.02Å; T376-L404 PolarHBondContact OG1-N 3.2Å; V400-L404 HydrophobicContact CG1-CD1 3.82Å; V400-L404 HydrophobicContact CG1-CG 4.29Å; V400-L404 WeakPolarHBondContact O-CB 3.4Å; V400-L404 WeakPolarHBondContact O-CG 3.47Å; V400-L404 PolarHBondContact O-N 3.02Å; L404-S408 VanDerWaalsContact O-CB 3.27Å; L404-S408 WeakPolarHBondContact O-CB 3.34Å; L404-S408 PolarHBondContact O-N 3.44Å; L404-S408 PolarHBondContact O-OG 2.93Å
405	R	98.2	Very high	97.7	Very high	69 Å²	69	41.5 Å²	41.5	26%	0.26	23%	0.229	S	C	.	.	H	α-helix	trans	-74.5	-40.7	176.9	-173.2	62.6	-173.2	94.7	20.9	112.4	R401 Y402 L403 S408 T409 I497 E500	R401-R405 WeakPolarHBondContact O-CB 3.28Å; R401-R405 PolarHBondContact O-N 3.47Å; R401-R405 VanDerWaalsContact O-N 3.12Å; Y402-R405 WeakPolarHBondContact O-CB 3.32Å; Y402-R405 PolarHBondContact O-N 2.74Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; L403-R405 PolarHBondContact O-N 2.8Å; R405-S408 PolarHBondContact NH1-OG 2.87Å; R405-S408 PolarHBondContact O-OG 2.8Å; R405-T409 PolarHBondContact NH1-OG1 2.87Å; R405-T409 PolarHBondContact O-N 3.44Å; R405-T409 PolarHBondContact O-OG1 2.62Å; R405-I497 HydrophobicContact CB-CG2 3.91Å; R405-I497 HydrophobicContact CG-CD1 4.48Å; R405-I497 HydrophobicContact CG-CG1 4.33Å; R405-I497 HydrophobicContact CG-CG2 3.5Å; R405-E500 WeakPolarHBondContact CD-OE2 3.29Å; R405-E500 WeakPolarHBondContact CG-OE2 3.43Å; R405-E500 IonicContact CZ-OE1 3.7Å; R405-E500 IonicContact CZ-OE2 3.22Å; R405-E500 IonicContact NE-OE1 3.54Å; R405-E500 PolarHBondContact NE-OE1 3.5Å; R405-E500 IonicContact NE-OE2 3.68Å; R405-E500 PolarHBondContact NE-OE2 3.37Å; R405-E500 IonicContact NH2-OE1 2.82Å; R405-E500 PolarHBondContact NH2-OE1 2.77Å; R405-E500 IonicContact NH2-OE2 3.28Å
406	V	98.5	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-49.8	170.5	166.6	0	0	0	0	110.8	L375 Y402 L403 S408 T409 Y410 I456 V459 I497	L375-V406 HydrophobicContact CD2-CG1 4.14Å; Y402-V406 HydrophobicContact CD1-CG2 4.14Å; Y402-V406 HydrophobicContact CE1-CG2 3.5Å; Y402-V406 VanDerWaalsContact CE1-CG2 3.5Å; Y402-V406 HydrophobicContact CE2-CG2 4.04Å; Y402-V406 VanDerWaalsContact CZ-CG2 3.44Å; Y402-V406 PolarHBondContact O-N 3.41Å; L403-V406 PolarHBondContact O-N 3.22Å; L403-V406 VanDerWaalsContact O-N 3.14Å; V406-S408 VanDerWaalsContact C-N 3.34Å; V406-S408 PolarHBondContact O-N 3.22Å; V406-T409 CarbonylContact O-C 3.52Å; V406-T409 WeakPolarHBondContact O-CA 3.49Å; V406-T409 WeakPolarHBondContact O-CB 3.29Å; V406-T409 PolarHBondContact O-N 3.16Å; V406-Y410 HydrophobicContact CG1-CD2 4.35Å; V406-Y410 HydrophobicContact CG1-CE2 3.87Å; V406-Y410 PolarHBondContact O-N 3.2Å; V406-I456 HydrophobicContact CG1-CG2 4.41Å; V406-V459 HydrophobicContact CG1-CB 4.39Å; V406-V459 HydrophobicContact CG1-CG2 3.97Å; V406-I497 HydrophobicContact CG2-CD1 3.97Å; V406-I497 HydrophobicContact CG2-CG2 4.4Å
407	E	98.4	Very high	97.9	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-41.3	178.4	-170.4	167.3	-117.9	0	0	111.8	H373 A374 L375 T376 L403 T409 Y410	H373-E407 VanDerWaalsContact CA-OE1 3.25Å; H373-E407 WeakPolarHBondContact CA-OE1 3.14Å; H373-E407 IonicContact CE1-OE2 3.27Å; H373-E407 IonicContact CG-OE2 2.78Å; H373-E407 IonicContact ND1-OE2 3.8Å; H373-E407 PolarHBondContact ND1-OE2 2.86Å; A374-E407 PolarHBondContact N-OE1 2.91Å; L375-E407 WeakPolarHBondContact CA-OE1 3.27Å; L375-E407 HydrophobicContact CB-CG 4.42Å; L375-E407 VanDerWaalsContact CB-OE1 3.28Å; L375-E407 WeakPolarHBondContact CB-OE1 3.35Å; L375-E407 HydrophobicContact CD2-CB 4.46Å; L375-E407 PolarHBondContact N-OE1 2.82Å; T376-E407 WeakPolarHBondContact CB-OE2 3.4Å; T376-E407 PolarHBondContact N-OE1 2.67Å; T376-E407 VanDerWaalsContact N-OE1 3.07Å; T376-E407 VanDerWaalsContact OG1-CD 3.3Å; T376-E407 PolarHBondContact OG1-OE2 2.66Å; L403-E407 VanDerWaalsContact O-CB 3.24Å; L403-E407 WeakPolarHBondContact O-CB 3.3Å; L403-E407 PolarHBondContact O-N 3.39Å; E407-T409 PolarHBondContact O-N 2.82Å; E407-T409 VanDerWaalsContact O-N 3.08Å; E407-Y410 PolarHBondContact O-N 3.46Å; E407-Y410 VanDerWaalsContact O-N 3.09Å
408	S	97.7	Very high	98	Very high	78 Å²	78	35.2 Å²	35.2	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.9	172.4	75.1	0	0	0	0	115.1	L404 R405 V406	L404-S408 VanDerWaalsContact O-CB 3.27Å; L404-S408 WeakPolarHBondContact O-CB 3.34Å; L404-S408 PolarHBondContact O-N 3.44Å; L404-S408 PolarHBondContact O-OG 2.93Å; R405-S408 PolarHBondContact NH1-OG 2.87Å; R405-S408 PolarHBondContact O-OG 2.8Å; V406-S408 VanDerWaalsContact C-N 3.34Å; V406-S408 PolarHBondContact O-N 3.22Å
409	T	98.2	Very high	98.1	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.08	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.2	179.1	-45.2	0	0	0	0	111.6	R405 V406 E407 H411 V459 D460 M493	R405-T409 PolarHBondContact NH1-OG1 2.87Å; R405-T409 PolarHBondContact O-N 3.44Å; R405-T409 PolarHBondContact O-OG1 2.62Å; V406-T409 CarbonylContact O-C 3.52Å; V406-T409 WeakPolarHBondContact O-CA 3.49Å; V406-T409 WeakPolarHBondContact O-CB 3.29Å; V406-T409 PolarHBondContact O-N 3.16Å; E407-T409 PolarHBondContact O-N 2.82Å; E407-T409 VanDerWaalsContact O-N 3.08Å; T409-H411 PolarHBondContact O-CD2 3.48Å; T409-V459 HydrophobicContact CG2-CG2 4.11Å; T409-D460 HydrophobicContact CG2-CB 3.94Å; T409-D460 WeakPolarHBondContact O-CA 3.42Å; T409-D460 PolarHBondContact O-N 3.27Å; T409-M493 HydrophobicContact CG2-CE 4.47Å; T409-M493 HydrophobicContact CG2-CG 3.77Å; T409-M493 HydrophobicContact CG2-SD 4.2Å
410	Y	98.6	Very high	98.1	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.039	19%	0.193	C	C	.	.	S	Bend	trans	-78.1	133.1	161.5	-79.7	-86.4	0	0	0	109.7	L375 V406 E407 A412 N418 A422 A455 D458 V459	L375-Y410 HydrophobicContact CD2-CD2 4.03Å; L375-Y410 HydrophobicContact CD2-CE2 3.63Å; V406-Y410 HydrophobicContact CG1-CD2 4.35Å; V406-Y410 HydrophobicContact CG1-CE2 3.87Å; V406-Y410 PolarHBondContact O-N 3.2Å; E407-Y410 PolarHBondContact O-N 3.46Å; E407-Y410 VanDerWaalsContact O-N 3.09Å; Y410-A412 PolarHBondContact O-N 2.83Å; Y410-N418 VanDerWaalsContact CD1-C 3.44Å; Y410-A422 HydrophobicContact CE1-CB 3.88Å; Y410-A422 HydrophobicContact CE2-CB 4.04Å; Y410-A422 VanDerWaalsContact CZ-CB 3.45Å; Y410-A422 VanDerWaalsContact OH-CB 3.22Å; Y410-A422 WeakPolarHBondContact OH-CB 3.48Å; Y410-A455 PolarHBondContact OH-O 2.88Å; Y410-A455 VanDerWaalsContact OH-O 3.1Å; Y410-D458 HydrophobicContact CE1-CB 3.61Å; Y410-D458 VanDerWaalsContact CE1-O 3.27Å; Y410-D458 WeakPolarHBondContact CE1-O 3.34Å; Y410-D458 PolarHBondContact OH-N 3.28Å; Y410-V459 HydrophobicContact CD2-CB 4.4Å; Y410-V459 HydrophobicContact CD2-CG2 4.17Å; Y410-V459 HydrophobicContact CE2-CB 3.83Å; Y410-V459 HydrophobicContact CE2-CG2 4.03Å; Y410-V459 PolarHBondContact OH-N 3.42Å
411	H	98.1	Very high	98.1	Very high	57 Å²	57	34.7 Å²	34.7	26%	0.264	19%	0.191	S	C	.	.			trans	-80.2	113.8	-171.6	-64.3	-175	0	0	0	110	T409 D413 V414 D460	T409-H411 PolarHBondContact O-CD2 3.48Å; H411-D413 PolarHBondContact O-N 3.02Å; H411-V414 HydrophobicContact CB-CB 4.08Å; H411-V414 HydrophobicContact CB-CG2 3.54Å; H411-V414 WeakPolarHBondContact O-CB 3.25Å; H411-V414 PolarHBondContact O-N 2.82Å; H411-V414 VanDerWaalsContact O-N 3.08Å; H411-D460 IonicContact CD2-OD1 2.77Å; H411-D460 IonicContact CE1-OD1 3.67Å; H411-D460 IonicContact NE2-OD1 3.42Å; H411-D460 PolarHBondContact NE2-OD1 3.39Å
412	A	95.7	Very high	98.2	Very high	103 Å²	103	30 Å²	30	85%	0.851	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.4	-175.5	0	0	0	0	0	114.1	Y410	Y410-A412 PolarHBondContact O-N 2.83Å
413	D	97.2	Very high	98.2	Very high	114 Å²	114	30 Å²	30	61%	0.61	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.6	173.9	61.2	-61.6	0	0	0	113.6	H411 P415 R599	H411-D413 PolarHBondContact O-N 3.02Å; D413-P415 WeakPolarHBondContact O-CD 3.49Å; D413-R599 PolarHBondContact O-NH1 3.09Å
414	V	98.4	Very high	98.2	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.036	17%	0.172	C	C	.	.			trans	-74.5	119.9	176.7	171.6	0	0	0	0	109.7	H411 Y416 H417 N418 E596	H411-V414 HydrophobicContact CB-CB 4.08Å; H411-V414 HydrophobicContact CB-CG2 3.54Å; H411-V414 WeakPolarHBondContact O-CB 3.25Å; H411-V414 PolarHBondContact O-N 2.82Å; H411-V414 VanDerWaalsContact O-N 3.08Å; V414-Y416 PolarHBondContact O-N 2.84Å; V414-H417 HydrophobicContact CG1-CB 4.22Å; V414-H417 WeakPolarHBondContact CG1-O 2.95Å; V414-N418 PolarHBondContact O-ND2 3.48Å; V414-E596 WeakPolarHBondContact CG1-OE2 3.35Å
415	P	98.3	Very high	98.3	Very high	13 Å²	13	27 Å²	27	8%	0.084	16%	0.157	C	C	.	.	S	Bend	trans	-66.2	-38.6	-168.3	-24.3	34.1	0	0	0	116	D413 N418 R592 E595 E596	D413-P415 WeakPolarHBondContact O-CD 3.49Å; P415-N418 PolarHBondContact O-ND2 2.98Å; P415-N418 VanDerWaalsContact O-ND2 3.09Å; P415-R592 WeakPolarHBondContact CB-O 3.44Å; P415-R592 WeakPolarHBondContact O-CB 3.18Å; P415-R592 WeakPolarHBondContact O-CD 3.38Å; P415-R592 WeakPolarHBondContact O-CG 3.23Å; P415-R592 PolarHBondContact O-NH1 3.23Å; P415-E595 HydrophobicContact CB-CB 4.37Å; P415-E595 HydrophobicContact CB-CG 4.06Å; P415-E595 HydrophobicContact CG-CB 4.49Å; P415-E595 HydrophobicContact CG-CG 3.8Å; P415-E596 HydrophobicContact CB-CB 4.13Å; P415-E596 HydrophobicContact CG-CB 4.02Å; P415-E596 HydrophobicContact CG-CG 4.49Å
416	Y	98.7	Very high	98.3	Very high	15 Å²	15	23.7 Å²	23.7	6%	0.059	14%	0.144	C	C	.	.	S	Bend	trans	-111.7	-61.9	-174.7	179.8	-84.9	0	0	0	111.9	V414 N418 H421 N578 W589 R592 L593 E596	V414-Y416 PolarHBondContact O-N 2.84Å; Y416-N418 PolarHBondContact O-N 2.69Å; Y416-N418 PolarHBondContact O-ND2 3.15Å; Y416-H421 AromaticContact CD1-CD2 3.98Å; Y416-H421 AromaticContact CE1-CD2 3.5Å; Y416-H421 AromaticContact CE1-CE1 3.74Å; Y416-H421 AromaticContact CE1-CG 3.94Å; Y416-H421 AromaticContact CE1-NE2 3.35Å; Y416-H421 VanDerWaalsContact CE1-NE2 3.35Å; Y416-H421 WeakPolarHBondContact CE1-NE2 3.5Å; Y416-H421 AromaticContact CZ-CE1 3.75Å; Y416-H421 AromaticContact CZ-NE2 3.84Å; Y416-H421 WeakPolarHBondContact O-CB 3.36Å; Y416-H421 PolarHBondContact OH-CE1 3.14Å; Y416-N578 WeakPolarHBondContact CE2-ND2 3.39Å; Y416-N578 PolarHBondContact OH-ND2 2.78Å; Y416-W589 AromaticContact CD2-CE3 3.82Å; Y416-W589 HydrophobicContact CD2-CE3 3.82Å; Y416-W589 HydrophobicContact CD2-CZ3 4.37Å; Y416-W589 HydrophobicContact CE2-CB 4.46Å; Y416-W589 AromaticContact CE2-CE3 3.93Å; Y416-W589 HydrophobicContact CE2-CE3 3.93Å; Y416-R592 HydrophobicContact CD2-CB 4.32Å; Y416-L593 HydrophobicContact CD1-CD1 4.02Å; Y416-L593 HydrophobicContact CD2-CB 3.67Å; Y416-L593 HydrophobicContact CD2-CD1 4.07Å; Y416-L593 HydrophobicContact CD2-CG 4.41Å; Y416-L593 HydrophobicContact CE1-CD1 4.24Å; Y416-L593 HydrophobicContact CE2-CB 4.08Å; Y416-L593 HydrophobicContact CE2-CD1 4.26Å; Y416-L593 HydrophobicContact CG-CB 4.2Å; Y416-L593 HydrophobicContact CG-CD1 3.93Å; Y416-E596 WeakPolarHBondContact CA-OE2 3.19Å; Y416-E596 WeakPolarHBondContact CB-OE2 3.03Å; Y416-E596 PolarHBondContact N-OE2 2.78Å
417	H	98.8	Very high	98.3	Very high	33 Å²	33	23.7 Å²	23.7	15%	0.153	15%	0.145	C	C	.	.	S	Bend	trans	-77.9	66.1	-174.7	-53.3	93	0	0	0	111.6	V414 D458 H461 E596	V414-H417 HydrophobicContact CG1-CB 4.22Å; V414-H417 WeakPolarHBondContact CG1-O 2.95Å; H417-D458 IonicContact CD2-OD2 3.32Å; H417-D458 PolarHBondContact CD2-OD2 3.16Å; H417-D458 VanDerWaalsContact CD2-OD2 3.23Å; H417-D458 IonicContact CG-OD2 2.83Å; H417-H461 HydrophobicContact CB-CB 3.91Å; H417-H461 VanDerWaalsContact CB-ND1 3.3Å; H417-H461 WeakPolarHBondContact CB-ND1 3.44Å; H417-H461 AromaticContact CE1-CE1 3.9Å; H417-H461 AromaticContact CG-CE1 3.58Å; H417-H461 AromaticContact CG-ND1 3.58Å; H417-H461 AromaticContact ND1-CE1 3.33Å; H417-H461 PolarHBondContact ND1-CE1 3.37Å; H417-H461 VanDerWaalsContact ND1-CE1 3.33Å; H417-H461 AromaticContact ND1-ND1 3.67Å; H417-E596 IonicContact CE1-OE1 3.98Å; H417-E596 PolarHBondContact CE1-OE1 3.47Å; H417-E596 IonicContact CG-OE1 2.75Å; H417-E596 PolarHBondContact N-OE2 3.32Å; H417-E596 VanDerWaalsContact N-OE2 3.15Å; H417-E596 IonicContact ND1-OE1 3.35Å; H417-E596 PolarHBondContact ND1-OE1 2.77Å; H417-E596 IonicContact ND1-OE2 2.67Å
418	N	98.5	Very high	98.3	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.059	14%	0.142	C	C	.	.	S	Bend	trans	-123.8	-178.9	178.3	59.3	53.4	0	0	0	110.7	Y410 V414 P415 Y416 M420 H421 A422	Y410-N418 VanDerWaalsContact CD1-C 3.44Å; V414-N418 PolarHBondContact O-ND2 3.48Å; P415-N418 PolarHBondContact O-ND2 2.98Å; P415-N418 VanDerWaalsContact O-ND2 3.09Å; Y416-N418 PolarHBondContact O-N 2.69Å; Y416-N418 PolarHBondContact O-ND2 3.15Å; N418-M420 PolarHBondContact O-N 3.49Å; N418-M420 VanDerWaalsContact O-N 3.11Å; N418-M420 VanDerWaalsContact OD1-CB 3.27Å; N418-M420 WeakPolarHBondContact OD1-CB 3.34Å; N418-M420 PolarHBondContact OD1-N 2.91Å; N418-M420 VanDerWaalsContact OD1-N 3.09Å; N418-H421 PolarHBondContact O-N 2.9Å; N418-A422 PolarHBondContact O-N 2.59Å
419	S	98.5	Very high	98.4	Very high	19 Å²	19	19.4 Å²	19.4	13%	0.133	12%	0.116	C	C	.	.	H	α-helix	trans	-57.3	-29.7	-176.3	52.7	0	0	0	0	113.8	A422 A423	S419-A422 PolarHBondContact O-N 3.35Å; S419-A423 WeakPolarHBondContact O-CB 3.31Å; S419-A423 PolarHBondContact O-N 3.17Å
420	M	98.4	Very high	98.4	Very high	11 Å²	11	19 Å²	19	5%	0.054	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-36.2	177.4	-169.3	-169.7	-57	0	0	111.9	I363 F364 D367 N418 A423 D424 W589	I363-M420 HydrophobicContact CG1-CG 4.24Å; I363-M420 HydrophobicContact CG2-CG 4.32Å; F364-M420 HydrophobicContact CB-SD 4.3Å; F364-M420 HydrophobicContact CD1-CE 4.25Å; F364-M420 HydrophobicContact CD1-SD 3.2Å; F364-M420 WeakPolarHBondContact CD1-SD 3.46Å; F364-M420 HydrophobicContact CE1-SD 3.58Å; F364-M420 VanDerWaalsContact CE1-SD 3.58Å; F364-M420 HydrophobicContact CG-SD 3.9Å; D367-M420 HydrophobicContact CB-CE 3.74Å; D367-M420 HydrophobicContact CB-CG 4.35Å; D367-M420 HydrophobicContact CB-SD 4.5Å; D367-M420 VanDerWaalsContact CG-CE 3.48Å; D367-M420 VanDerWaalsContact OD2-CE 3.24Å; D367-M420 WeakPolarHBondContact OD2-CE 3.22Å; N418-M420 PolarHBondContact O-N 3.49Å; N418-M420 VanDerWaalsContact O-N 3.11Å; N418-M420 VanDerWaalsContact OD1-CB 3.27Å; N418-M420 WeakPolarHBondContact OD1-CB 3.34Å; N418-M420 PolarHBondContact OD1-N 2.91Å; N418-M420 VanDerWaalsContact OD1-N 3.09Å; M420-A423 PolarHBondContact O-N 2.81Å; M420-D424 PolarHBondContact O-N 3.43Å; M420-W589 HydrophobicContact CB-CH2 4.27Å; M420-W589 HydrophobicContact CG-CH2 3.96Å; M420-W589 HydrophobicContact CG-CZ2 4.44Å; M420-W589 HydrophobicContact SD-CH2 4.14Å
421	H	98.7	Very high	98.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-46.8	174.5	175.4	42.2	0	0	0	110.5	Y416 N418 A423 D424 V425 H457 D458 D575 W589	Y416-H421 AromaticContact CD1-CD2 3.98Å; Y416-H421 AromaticContact CE1-CD2 3.5Å; Y416-H421 AromaticContact CE1-CE1 3.74Å; Y416-H421 AromaticContact CE1-CG 3.94Å; Y416-H421 AromaticContact CE1-NE2 3.35Å; Y416-H421 VanDerWaalsContact CE1-NE2 3.35Å; Y416-H421 WeakPolarHBondContact CE1-NE2 3.5Å; Y416-H421 AromaticContact CZ-CE1 3.75Å; Y416-H421 AromaticContact CZ-NE2 3.84Å; Y416-H421 WeakPolarHBondContact O-CB 3.36Å; Y416-H421 PolarHBondContact OH-CE1 3.14Å; N418-H421 PolarHBondContact O-N 2.9Å; H421-A423 PolarHBondContact O-N 2.9Å; H421-D424 WeakPolarHBondContact O-CA 3.47Å; H421-D424 WeakPolarHBondContact O-CB 3.46Å; H421-D424 PolarHBondContact O-N 3.33Å; H421-V425 WeakPolarHBondContact CE1-CG2 3.28Å; H421-V425 WeakPolarHBondContact O-CG2 3.39Å; H421-V425 PolarHBondContact O-N 3.36Å; H421-H457 AromaticContact NE2-NE2 3.87Å; H421-D458 IonicContact CD2-OD2 3.89Å; H421-D458 PolarHBondContact CD2-OD2 3.34Å; H421-D458 VanDerWaalsContact CD2-OD2 3.24Å; H421-D458 IonicContact NE2-OD2 3.46Å; H421-D575 IonicContact CE1-OD1 3.68Å; H421-D575 IonicContact NE2-OD1 2.74Å; H421-W589 HydrophobicContact CB-CH2 3.96Å; H421-W589 HydrophobicContact CB-CZ3 4.08Å
422	A	98.8	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-37.1	173.4	0	0	0	0	0	112.8	L375 Y410 N418 S419 L426	L375-A422 HydrophobicContact CD1-CB 4.04Å; L375-A422 HydrophobicContact CD2-CB 4.19Å; Y410-A422 HydrophobicContact CE1-CB 3.88Å; Y410-A422 HydrophobicContact CE2-CB 4.04Å; Y410-A422 VanDerWaalsContact CZ-CB 3.45Å; Y410-A422 VanDerWaalsContact OH-CB 3.22Å; Y410-A422 WeakPolarHBondContact OH-CB 3.48Å; N418-A422 PolarHBondContact O-N 2.59Å; S419-A422 PolarHBondContact O-N 3.35Å; A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.47Å
423	A	98.7	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.4	-36.4	175.2	0	0	0	0	0	112.9	I363 A374 L375 S419 M420 H421 Q427	I363-A423 HydrophobicContact CD1-CB 3.74Å; I363-A423 HydrophobicContact CG1-CB 4.06Å; A374-A423 HydrophobicContact CB-CB 3.83Å; L375-A423 HydrophobicContact CB-CB 4.12Å; L375-A423 HydrophobicContact CD1-CB 4.41Å; S419-A423 WeakPolarHBondContact O-CB 3.31Å; S419-A423 PolarHBondContact O-N 3.17Å; M420-A423 PolarHBondContact O-N 2.81Å; H421-A423 PolarHBondContact O-N 2.9Å; A423-Q427 PolarHBondContact O-N 2.92Å
424	D	98.8	Very high	98.1	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-68.3	-46.3	174.6	-165.2	29	0	0	0	111.3	I363 M420 H421 L426 Q427 T428 N578 K581 W589	I363-D424 HydrophobicContact CB-CB 4.38Å; I363-D424 HydrophobicContact CG1-CB 4.17Å; I363-D424 HydrophobicContact CG2-CB 4.01Å; M420-D424 PolarHBondContact O-N 3.43Å; H421-D424 WeakPolarHBondContact O-CA 3.47Å; H421-D424 WeakPolarHBondContact O-CB 3.46Å; H421-D424 PolarHBondContact O-N 3.33Å; D424-L426 VanDerWaalsContact C-N 3.3Å; D424-L426 PolarHBondContact O-N 3.5Å; D424-Q427 PolarHBondContact O-N 3Å; D424-T428 WeakPolarHBondContact O-CB 3.18Å; D424-T428 PolarHBondContact O-N 3.47Å; D424-T428 PolarHBondContact O-OG1 2.93Å; D424-N578 PolarHBondContact OD2-OD1 3.42Å; D424-K581 IonicContact OD1-NZ 3.49Å; D424-K581 PolarHBondContact OD1-NZ 2.86Å; D424-K581 IonicContact OD2-NZ 3.5Å; D424-K581 PolarHBondContact OD2-NZ 3.4Å; D424-W589 HydrophobicContact CB-CZ2 3.89Å; D424-W589 PolarHBondContact OD2-NE1 3.44Å
425	V	98.8	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-40.1	175.6	179.2	0	0	0	0	110.7	H421 T428 A429 A454 A574 D575	H421-V425 WeakPolarHBondContact CE1-CG2 3.28Å; H421-V425 WeakPolarHBondContact O-CG2 3.39Å; H421-V425 PolarHBondContact O-N 3.36Å; V425-T428 PolarHBondContact O-N 2.92Å; V425-A429 WeakPolarHBondContact O-CB 3.26Å; V425-A429 PolarHBondContact O-N 3.34Å; V425-A454 HydrophobicContact CG1-CB 4.11Å; V425-A574 HydrophobicContact CG1-CB 3.87Å; V425-D575 HydrophobicContact CG1-CB 4.49Å; V425-D575 HydrophobicContact CG2-CB 4.45Å
426	L	98.8	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-48.5	174.9	175.9	59.4	0	0	0	113.2	L375 V378 A379 I382 A422 D424 T428 A429 H430 L451 A454 A455	L375-L426 HydrophobicContact CD1-CD2 4.04Å; V378-L426 HydrophobicContact CG1-CD2 4.21Å; V378-L426 HydrophobicContact CG1-CG 4.31Å; A379-L426 HydrophobicContact CB-CD2 3.5Å; I382-L426 HydrophobicContact CD1-CD1 4.43Å; I382-L426 HydrophobicContact CD1-CG 3.93Å; A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.47Å; D424-L426 VanDerWaalsContact C-N 3.3Å; D424-L426 PolarHBondContact O-N 3.5Å; L426-T428 VanDerWaalsContact C-N 3.29Å; L426-T428 PolarHBondContact O-N 3.15Å; L426-A429 PolarHBondContact O-N 3.37Å; L426-H430 PolarHBondContact O-N 3.12Å; L426-L451 HydrophobicContact CD1-CB 3.99Å; L426-L451 HydrophobicContact CD1-CD2 3.82Å; L426-L451 WeakPolarHBondContact CD1-O 3.28Å; L426-A454 HydrophobicContact CB-CB 4.32Å; L426-A454 HydrophobicContact CD1-CB 4.25Å; L426-A455 HydrophobicContact CD2-CB 4.07Å
427	Q	98.5	Very high	96.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-37.3	176.4	-170.8	-82.8	-31.6	0	0	111.1	L356 E358 V361 V378 A423 D424 H430 F431	L356-Q427 HydrophobicContact CD1-CG 4.21Å; L356-Q427 PolarHBondContact O-NE2 2.97Å; E358-Q427 PolarHBondContact O-NE2 3.49Å; V361-Q427 HydrophobicContact CB-CG 4.44Å; V361-Q427 VanDerWaalsContact CG2-CD 3.48Å; V361-Q427 HydrophobicContact CG2-CG 4.11Å; V361-Q427 VanDerWaalsContact CG2-NE2 3.33Å; V378-Q427 HydrophobicContact CG1-CB 4.03Å; A423-Q427 PolarHBondContact O-N 2.92Å; D424-Q427 PolarHBondContact O-N 3Å; Q427-H430 CarbonylContact O-C 3.58Å; Q427-H430 WeakPolarHBondContact O-CB 3.42Å; Q427-H430 PolarHBondContact O-N 3.18Å; Q427-F431 PolarHBondContact O-N 3.49Å
428	T	98.5	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-43.8	177.6	-54.6	0	0	0	0	111.3	W359 D424 V425 L426 H430 F431 L432 A574 K581	W359-T428 HydrophobicContact CH2-CG2 3.64Å; W359-T428 HydrophobicContact CZ3-CG2 3.47Å; W359-T428 VanDerWaalsContact CZ3-CG2 3.47Å; D424-T428 WeakPolarHBondContact O-CB 3.18Å; D424-T428 PolarHBondContact O-N 3.47Å; D424-T428 PolarHBondContact O-OG1 2.93Å; V425-T428 PolarHBondContact O-N 2.92Å; L426-T428 VanDerWaalsContact C-N 3.29Å; L426-T428 PolarHBondContact O-N 3.15Å; T428-H430 VanDerWaalsContact C-N 3.32Å; T428-H430 PolarHBondContact O-N 2.82Å; T428-F431 WeakPolarHBondContact O-CB 3.16Å; T428-F431 PolarHBondContact O-N 2.94Å; T428-F431 VanDerWaalsContact O-N 3.13Å; T428-L432 HydrophobicContact CG2-CD1 4.46Å; T428-L432 WeakPolarHBondContact O-CG 3.46Å; T428-L432 PolarHBondContact O-N 3.38Å; T428-A574 HydrophobicContact CG2-CB 3.86Å; T428-K581 WeakPolarHBondContact OG1-CE 3.25Å; T428-K581 PolarHBondContact OG1-NZ 3.4Å
429	A	98.5	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63	-38.2	172.9	0	0	0	0	0	111.8	V425 L426 F431 L432 L433 L451 A454 A574	V425-A429 WeakPolarHBondContact O-CB 3.26Å; V425-A429 PolarHBondContact O-N 3.34Å; L426-A429 PolarHBondContact O-N 3.37Å; A429-F431 VanDerWaalsContact C-N 3.33Å; A429-F431 PolarHBondContact O-N 3.26Å; A429-L432 PolarHBondContact O-N 2.89Å; A429-L433 WeakPolarHBondContact O-CB 3.35Å; A429-L433 WeakPolarHBondContact O-CG 3.33Å; A429-L433 PolarHBondContact O-N 2.95Å; A429-L433 VanDerWaalsContact O-N 3.09Å; A429-L451 HydrophobicContact CB-CD2 4.46Å; A429-A454 HydrophobicContact CB-CB 4.12Å; A429-A574 HydrophobicContact CB-CB 4.15Å
430	H	98.2	Very high	95.2	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-39.8	170.7	169.3	86.8	0	0	0	112.4	D357 I382 R386 L426 Q427 T428 Q434 L451	D357-H430 IonicContact OD1-CE1 2.68Å; D357-H430 IonicContact OD1-NE2 3.59Å; D357-H430 PolarHBondContact OD1-NE2 3.2Å; I382-H430 HydrophobicContact CD1-CB 3.71Å; I382-H430 HydrophobicContact CG1-CB 4.11Å; I382-H430 HydrophobicContact CG2-CB 4.18Å; R386-H430 PolarHBondContact NE-CE1 2.95Å; R386-H430 PolarHBondContact NE-ND1 3.28Å; R386-H430 PolarHBondContact NH2-ND1 2.83Å; R386-H430 PolarHBondContact NH2-O 2.9Å; L426-H430 PolarHBondContact O-N 3.12Å; Q427-H430 CarbonylContact O-C 3.58Å; Q427-H430 WeakPolarHBondContact O-CB 3.42Å; Q427-H430 PolarHBondContact O-N 3.18Å; T428-H430 VanDerWaalsContact C-N 3.32Å; T428-H430 PolarHBondContact O-N 2.82Å; H430-Q434 WeakPolarHBondContact O-CG 3.44Å; H430-L451 HydrophobicContact CB-CD2 4Å
431	F	97.5	Very high	94.8	Very high	40 Å²	40	20.5 Å²	20.5	18%	0.175	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-51.9	174.2	-179	-85.3	0	0	0	111.5	D357 E358 W359 Q427 T428 A429 L433 Q434 I652	D357-F431 WeakPolarHBondContact O-CD2 3.44Å; D357-F431 WeakPolarHBondContact O-CE2 3.41Å; E358-F431 VanDerWaalsContact C-CD2 3.4Å; W359-F431 HydrophobicContact CB-CD2 4.28Å; W359-F431 HydrophobicContact CB-CE1 4.42Å; W359-F431 HydrophobicContact CB-CE2 3.86Å; W359-F431 HydrophobicContact CB-CZ 3.93Å; W359-F431 HydrophobicContact CE3-CB 4.47Å; W359-F431 AromaticContact CE3-CD1 3.49Å; W359-F431 HydrophobicContact CE3-CD1 3.49Å; W359-F431 VanDerWaalsContact CE3-CD1 3.49Å; W359-F431 HydrophobicContact CE3-CD2 4.47Å; W359-F431 AromaticContact CE3-CE1 3.8Å; W359-F431 HydrophobicContact CE3-CE1 3.8Å; W359-F431 AromaticContact CE3-CG 3.88Å; W359-F431 HydrophobicContact CE3-CG 3.88Å; W359-F431 HydrophobicContact CE3-CZ 4.43Å; W359-F431 AromaticContact CZ3-CD1 3.97Å; W359-F431 HydrophobicContact CZ3-CD1 3.97Å; W359-F431 HydrophobicContact CZ3-CE1 4.49Å; W359-F431 VanDerWaalsContact N-CE2 3.3Å; Q427-F431 PolarHBondContact O-N 3.49Å; T428-F431 WeakPolarHBondContact O-CB 3.16Å; T428-F431 PolarHBondContact O-N 2.94Å; T428-F431 VanDerWaalsContact O-N 3.13Å; A429-F431 VanDerWaalsContact C-N 3.33Å; A429-F431 PolarHBondContact O-N 3.26Å; F431-L433 PolarHBondContact O-N 2.88Å; F431-Q434 WeakPolarHBondContact O-CB 3.35Å; F431-Q434 PolarHBondContact O-N 3.04Å; F431-I652 HydrophobicContact CE1-CD1 4.14Å
432	L	97.1	Very high	94.5	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-30.5	-176.2	-64.9	176.7	0	0	0	113	W359 T428 A429 Q434 A435 M570 C573 A574 W638 W641 I652	W359-L432 HydrophobicContact CZ3-CD2 4.33Å; T428-L432 HydrophobicContact CG2-CD1 4.46Å; T428-L432 WeakPolarHBondContact O-CG 3.46Å; T428-L432 PolarHBondContact O-N 3.38Å; A429-L432 PolarHBondContact O-N 2.89Å; L432-Q434 PolarHBondContact O-N 3.05Å; L432-A435 PolarHBondContact O-N 3.48Å; L432-M570 HydrophobicContact CB-CE 4.38Å; L432-M570 HydrophobicContact CB-CG 3.71Å; L432-M570 HydrophobicContact CB-SD 4.12Å; L432-M570 HydrophobicContact CD1-CG 3.89Å; L432-M570 HydrophobicContact CG-CG 4.48Å; L432-C573 HydrophobicContact CD1-CB 4.09Å; L432-A574 HydrophobicContact CD1-CB 4.31Å; L432-W638 HydrophobicContact CD1-CH2 4.17Å; L432-W638 HydrophobicContact CD2-CH2 3.98Å; L432-W638 HydrophobicContact CD2-CZ3 3.98Å; L432-W641 HydrophobicContact CB-CZ2 4.07Å; L432-W641 HydrophobicContact CD1-CZ2 4.41Å; L432-W641 HydrophobicContact CD2-CZ2 4.19Å; L432-W641 HydrophobicContact CG-CZ2 4.45Å; L432-I652 HydrophobicContact CD2-CD1 4.23Å
433	L	96.1	Very high	94.3	Very high	15 Å²	15	20.7 Å²	20.7	8%	0.079	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-7	171.2	-81.4	172.4	0	0	0	115	A429 F431 F442 I447 V450 L451 M570	A429-L433 WeakPolarHBondContact O-CB 3.35Å; A429-L433 WeakPolarHBondContact O-CG 3.33Å; A429-L433 PolarHBondContact O-N 2.95Å; A429-L433 VanDerWaalsContact O-N 3.09Å; F431-L433 PolarHBondContact O-N 2.88Å; L433-F442 HydrophobicContact CD2-CD2 3.99Å; L433-F442 HydrophobicContact CD2-CE2 4.4Å; L433-I447 HydrophobicContact CD1-CG1 4.47Å; L433-I447 HydrophobicContact CD1-CG2 4.05Å; L433-I447 HydrophobicContact CD2-CD1 4.42Å; L433-I447 HydrophobicContact CD2-CG1 4.06Å; L433-V450 HydrophobicContact CD1-CG1 3.81Å; L433-V450 HydrophobicContact CD2-CG1 4.28Å; L433-V450 HydrophobicContact CG-CG1 4.33Å; L433-L451 HydrophobicContact CD1-CD1 4.15Å; L433-L451 HydrophobicContact CD1-CD2 3.97Å; L433-L451 HydrophobicContact CD1-CG 3.95Å; L433-M570 HydrophobicContact CD2-CE 3.95Å; L433-M570 HydrophobicContact CD2-SD 3.82Å; L433-M570 HydrophobicContact CG-CE 4.25Å; L433-M570 HydrophobicContact CG-SD 3.68Å
434	Q	93.3	Very high	94.1	Very high	52 Å²	52	22.1 Å²	22.1	24%	0.243	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.4	178.6	-59.6	177.8	112.2	0	0	113.5	D357 H430 F431 L432 E436	D357-Q434 VanDerWaalsContact CG-OE1 3.29Å; D357-Q434 PolarHBondContact O-NE2 3.01Å; H430-Q434 WeakPolarHBondContact O-CG 3.44Å; F431-Q434 WeakPolarHBondContact O-CB 3.35Å; F431-Q434 PolarHBondContact O-N 3.04Å; L432-Q434 PolarHBondContact O-N 3.05Å; Q434-E436 PolarHBondContact O-N 3.4Å
435	A	92.7	Very high	94	Very high	12 Å²	12	22 Å²	22	10%	0.099	12%	0.115	C	C	.	.			trans	-60.6	127.9	178.9	0	0	0	0	0	111	L432 A437 L438 V645 C648	L432-A435 PolarHBondContact O-N 3.48Å; A435-A437 PolarHBondContact O-N 3.16Å; A435-A437 VanDerWaalsContact O-N 3.15Å; A435-L438 HydrophobicContact CB-CD1 4.28Å; A435-L438 HydrophobicContact CB-CG 4.36Å; A435-L438 WeakPolarHBondContact O-CA 3.14Å; A435-L438 WeakPolarHBondContact O-CB 3.16Å; A435-L438 PolarHBondContact O-N 3.28Å; A435-V645 HydrophobicContact CB-CB 4.09Å; A435-V645 HydrophobicContact CB-CG1 4.28Å; A435-V645 HydrophobicContact CB-CG2 4.43Å; A435-C648 HydrophobicContact CB-CB 4.08Å
436	E	89.4	Confident	93.9	Very high	152 Å²	152	22.1 Å²	22.1	71%	0.71	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-55.5	-36.2	-176.4	-173.8	-178.3	179.8	0	0	112.5	Q434 L438 D439	Q434-E436 PolarHBondContact O-N 3.4Å; E436-L438 PolarHBondContact O-N 3.02Å; E436-D439 PolarHBondContact O-N 2.99Å; E436-D439 VanDerWaalsContact O-N 3.15Å
437	A	87.2	Confident	93.9	Very high	31 Å²	31	22.3 Å²	22.3	26%	0.256	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-63.8	-10.1	175.7	0	0	0	0	0	114.7	A435 V645	A435-A437 PolarHBondContact O-N 3.16Å; A435-A437 VanDerWaalsContact O-N 3.15Å; A437-V645 HydrophobicContact CB-CB 4.29Å
438	L	89.8	Confident	93.8	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.031	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-116.6	6.2	179.6	-57.1	178.9	0	0	0	112.8	A435 E436 V441 F442 L555 I566 M570 W641 V645	A435-L438 HydrophobicContact CB-CD1 4.28Å; A435-L438 HydrophobicContact CB-CG 4.36Å; A435-L438 WeakPolarHBondContact O-CA 3.14Å; A435-L438 WeakPolarHBondContact O-CB 3.16Å; A435-L438 PolarHBondContact O-N 3.28Å; E436-L438 PolarHBondContact O-N 3.02Å; L438-V441 WeakPolarHBondContact O-CB 3.21Å; L438-V441 PolarHBondContact O-N 2.97Å; L438-F442 HydrophobicContact CB-CE2 4.17Å; L438-F442 HydrophobicContact CD1-CE2 4.26Å; L438-F442 HydrophobicContact CD2-CE2 4.38Å; L438-L555 HydrophobicContact CD2-CD1 3.91Å; L438-I566 HydrophobicContact CD2-CD1 4.36Å; L438-I566 HydrophobicContact CD2-CG2 4.35Å; L438-M570 HydrophobicContact CD1-CE 3.67Å; L438-W641 HydrophobicContact CD1-CH2 4.15Å; L438-W641 HydrophobicContact CD1-CZ2 4.15Å; L438-V645 HydrophobicContact CD1-CG1 3.94Å; L438-V645 HydrophobicContact CD2-CG1 4.38Å; L438-V645 HydrophobicContact CG-CG1 4.02Å
439	D	86.3	Confident	93.9	Very high	65 Å²	65	22.3 Å²	22.3	35%	0.348	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	139.9	176.8	-159.5	16.3	0	0	0	110.9	S241 E436 V441	S241-D439 WeakPolarHBondContact CB-OD2 3.2Å; S241-D439 PolarHBondContact OG-OD2 3.01Å; E436-D439 PolarHBondContact O-N 2.99Å; E436-D439 VanDerWaalsContact O-N 3.15Å; D439-V441 PolarHBondContact O-N 2.72Å
440	D	84.8	Confident	93.9	Very high	39 Å²	39	22.3 Å²	22.3	21%	0.209	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	23	-171.9	-72.9	-30.7	0	0	0	116.6	R235 R236	R235-D440 IonicContact NE-OD1 2.78Å; R235-D440 PolarHBondContact NE-OD1 3.17Å; R236-D440 HydrophobicContact CG-CB 4.15Å; R236-D440 PolarHBondContact NE-O 2.66Å; R236-D440 PolarHBondContact NH2-O 3.46Å
441	V	89.6	Confident	93.9	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.048	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-35.4	170.8	171.7	0	0	0	0	112.2	L232 L438 D439 L557 R563	L232-V441 WeakPolarHBondContact CD2-O 3.11Å; L438-V441 WeakPolarHBondContact O-CB 3.21Å; L438-V441 PolarHBondContact O-N 2.97Å; D439-V441 PolarHBondContact O-N 2.72Å; V441-L557 HydrophobicContact CB-CD1 4.45Å; V441-L557 HydrophobicContact CG1-CB 4.31Å; V441-L557 HydrophobicContact CG1-CD1 3.38Å; V441-L557 HydrophobicContact CG2-CD1 4.15Å; V441-R563 HydrophobicContact CG1-CG 4.42Å; V441-R563 VanDerWaalsContact O-CD 3.27Å; V441-R563 WeakPolarHBondContact O-CD 3.44Å
442	F	93.3	Very high	94	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.022	11%	0.109	C	C	.	.	S	Bend	trans	-116.2	136.3	-171.9	-54.9	-64.7	0	0	0	113	R235 L433 L438 E446 I447 R563 I566 L567 M570	R235-F442 PolarHBondContact NH1-O 3.45Å; R235-F442 VanDerWaalsContact NH1-O 3.14Å; L433-F442 HydrophobicContact CD2-CD2 3.99Å; L433-F442 HydrophobicContact CD2-CE2 4.4Å; L438-F442 HydrophobicContact CB-CE2 4.17Å; L438-F442 HydrophobicContact CD1-CE2 4.26Å; L438-F442 HydrophobicContact CD2-CE2 4.38Å; F442-E446 HydrophobicContact CB-CB 4.09Å; F442-E446 HydrophobicContact CD1-CB 4.49Å; F442-I447 HydrophobicContact CB-CG1 4Å; F442-R563 HydrophobicContact CD1-CB 4.33Å; F442-R563 HydrophobicContact CE1-CB 4.05Å; F442-R563 HydrophobicContact CE1-CG 4.48Å; F442-I566 HydrophobicContact CZ-CB 4.08Å; F442-I566 HydrophobicContact CZ-CG2 3.79Å; F442-L567 HydrophobicContact CD1-CD1 3.88Å; F442-L567 HydrophobicContact CD1-CD2 3.82Å; F442-L567 HydrophobicContact CD1-CG 3.91Å; F442-L567 HydrophobicContact CD2-CD2 4.21Å; F442-L567 HydrophobicContact CE1-CD1 3.96Å; F442-L567 HydrophobicContact CE1-CD2 3.64Å; F442-L567 HydrophobicContact CE1-CG 3.54Å; F442-L567 HydrophobicContact CE2-CD2 4.04Å; F442-L567 HydrophobicContact CG-CD2 4.1Å; F442-L567 HydrophobicContact CZ-CD2 3.75Å; F442-L567 HydrophobicContact CZ-CG 4.02Å; F442-M570 HydrophobicContact CE2-CE 4.06Å
443	S	93.8	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.			trans	-68.5	161.3	171.5	61.9	0	0	0	0	110.7	L445 E446 I447	S443-L445 PolarHBondContact O-N 2.96Å; S443-L445 VanDerWaalsContact O-N 3.08Å; S443-E446 VanDerWaalsContact CB-OE2 3.26Å; S443-E446 WeakPolarHBondContact CB-OE2 3.47Å; S443-E446 PolarHBondContact N-OE2 3.47Å; S443-E446 PolarHBondContact O-N 3.43Å; S443-E446 VanDerWaalsContact O-N 3.09Å; S443-E446 PolarHBondContact OG-N 3.41Å; S443-E446 PolarHBondContact OG-OE2 2.9Å; S443-I447 PolarHBondContact O-N 3.22Å
444	D	95.4	Very high	94.2	Very high	30 Å²	30	19.6 Å²	19.6	16%	0.16	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-23.4	175.6	-44.9	-37.2	0	0	0	111.7	R235 T391 F392 L448	R235-D444 WeakPolarHBondContact CD-OD1 3.44Å; R235-D444 IonicContact CZ-OD1 3.32Å; R235-D444 IonicContact NE-OD1 2.8Å; R235-D444 IonicContact NH1-OD1 3.68Å; R235-D444 PolarHBondContact NH1-OD1 3.19Å; T391-D444 HydrophobicContact CG2-CB 3.94Å; F392-D444 HydrophobicContact CE2-CB 3.81Å; F392-D444 VanDerWaalsContact CE2-O 3.26Å; F392-D444 WeakPolarHBondContact CE2-O 3.29Å; F392-D444 VanDerWaalsContact CZ-C 3.45Å; F392-D444 HydrophobicContact CZ-CB 3.74Å; F392-D444 WeakPolarHBondContact CZ-O 3.24Å; D444-L448 VanDerWaalsContact O-CB 3.22Å; D444-L448 WeakPolarHBondContact O-CB 3.48Å; D444-L448 PolarHBondContact O-N 2.98Å
445	L	96.1	Very high	94.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-78.6	-36.3	178.1	-164.7	72.5	0	0	0	111.7	M231 F392 S443 L448 A449 T516 L517 M520	M231-L445 HydrophobicContact CE-CB 3.74Å; M231-L445 HydrophobicContact SD-CB 4.23Å; M231-L445 HydrophobicContact SD-CD2 4.2Å; F392-L445 HydrophobicContact CD1-CD1 4.48Å; F392-L445 HydrophobicContact CE1-CB 4.46Å; F392-L445 HydrophobicContact CE1-CD1 3.68Å; F392-L445 HydrophobicContact CZ-CB 4.16Å; F392-L445 HydrophobicContact CZ-CD1 4Å; S443-L445 PolarHBondContact O-N 2.96Å; S443-L445 VanDerWaalsContact O-N 3.08Å; L445-L448 HydrophobicContact CD1-CD2 4.34Å; L445-A449 WeakPolarHBondContact O-CB 3.26Å; L445-A449 PolarHBondContact O-N 3.06Å; L445-T516 HydrophobicContact CD2-CG2 3.58Å; L445-L517 HydrophobicContact CD1-CB 4.27Å; L445-L517 HydrophobicContact CD1-CD1 4.22Å; L445-L517 HydrophobicContact CG-CD1 4.42Å; L445-M520 HydrophobicContact CB-CE 4.38Å; L445-M520 HydrophobicContact CD2-CE 3.95Å; L445-M520 HydrophobicContact CG-CE 3.79Å
446	E	97.1	Very high	94.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.4	-41.5	170.6	-77.4	155.9	137.5	0	0	110.8	I228 F442 S443 A449 V450 M520 R563 L567	I228-E446 HydrophobicContact CG2-CG 3.97Å; I228-E446 VanDerWaalsContact CG2-OE1 3.28Å; I228-E446 WeakPolarHBondContact CG2-OE1 3.31Å; I228-E446 WeakPolarHBondContact CG2-OE2 3.33Å; F442-E446 HydrophobicContact CB-CB 4.09Å; F442-E446 HydrophobicContact CD1-CB 4.49Å; S443-E446 VanDerWaalsContact CB-OE2 3.26Å; S443-E446 WeakPolarHBondContact CB-OE2 3.47Å; S443-E446 PolarHBondContact N-OE2 3.47Å; S443-E446 PolarHBondContact O-N 3.43Å; S443-E446 VanDerWaalsContact O-N 3.09Å; S443-E446 PolarHBondContact OG-N 3.41Å; S443-E446 PolarHBondContact OG-OE2 2.9Å; E446-A449 WeakPolarHBondContact O-CB 3.46Å; E446-A449 PolarHBondContact O-N 3.18Å; E446-V450 PolarHBondContact O-N 2.92Å; E446-M520 HydrophobicContact CB-SD 4.44Å; E446-M520 HydrophobicContact CG-CE 4.42Å; E446-M520 HydrophobicContact CG-SD 3.57Å; E446-M520 VanDerWaalsContact CG-SD 3.57Å; E446-R563 IonicContact OE1-CZ 3.23Å; E446-R563 IonicContact OE1-NE 2.56Å; E446-R563 PolarHBondContact OE1-NE 3.06Å; E446-R563 IonicContact OE1-NH2 3.82Å; E446-R563 PolarHBondContact OE1-NH2 3.01Å; E446-R563 IonicContact OE2-NE 2.9Å; E446-L567 HydrophobicContact CB-CD1 3.86Å; E446-L567 HydrophobicContact CG-CD1 4.1Å
447	I	97.9	Very high	95.2	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.026	6%	0.055	C	C	.	.	H	α-helix	trans	-63.2	-45.4	173	-68	-168.6	0	0	0	111.4	R235 L388 L433 F442 S443 A449 L451	R235-I447 VanDerWaalsContact NH1-CD1 3.27Å; L388-I447 HydrophobicContact CD1-CG2 4.24Å; L388-I447 HydrophobicContact CD2-CG2 4.25Å; L433-I447 HydrophobicContact CD1-CG1 4.47Å; L433-I447 HydrophobicContact CD1-CG2 4.05Å; L433-I447 HydrophobicContact CD2-CD1 4.42Å; L433-I447 HydrophobicContact CD2-CG1 4.06Å; F442-I447 HydrophobicContact CB-CG1 4Å; S443-I447 PolarHBondContact O-N 3.22Å; I447-A449 VanDerWaalsContact C-N 3.27Å; I447-A449 PolarHBondContact O-N 2.97Å; I447-L451 HydrophobicContact CG2-CD1 3.68Å; I447-L451 HydrophobicContact CG2-CG 4.49Å; I447-L451 WeakPolarHBondContact O-CB 3.43Å; I447-L451 WeakPolarHBondContact O-CG 3.42Å; I447-L451 PolarHBondContact O-N 2.95Å; I447-L451 VanDerWaalsContact O-N 3.15Å
448	L	98.3	Very high	95.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.2	-41.4	173	176.9	64.6	0	0	0	111.1	F383 F392 I394 D444 L445 F452 F506 L509 L517	F383-L448 HydrophobicContact CD1-CD1 4.32Å; F383-L448 HydrophobicContact CE1-CD1 3.41Å; F383-L448 VanDerWaalsContact CE1-CD1 3.41Å; F383-L448 HydrophobicContact CZ-CD1 3.99Å; F392-L448 HydrophobicContact CD1-CD2 4.31Å; F392-L448 HydrophobicContact CD2-CB 4.38Å; F392-L448 HydrophobicContact CD2-CD2 3.74Å; F392-L448 HydrophobicContact CD2-CG 4.47Å; F392-L448 HydrophobicContact CE1-CD2 4.46Å; F392-L448 HydrophobicContact CE2-CB 3.92Å; F392-L448 HydrophobicContact CE2-CD2 3.93Å; F392-L448 HydrophobicContact CE2-CG 4.46Å; F392-L448 HydrophobicContact CG-CD2 3.94Å; F392-L448 HydrophobicContact CZ-CB 4.45Å; F392-L448 HydrophobicContact CZ-CD2 4.28Å; I394-L448 HydrophobicContact CD1-CD1 4.45Å; D444-L448 VanDerWaalsContact O-CB 3.22Å; D444-L448 WeakPolarHBondContact O-CB 3.48Å; D444-L448 PolarHBondContact O-N 2.98Å; L445-L448 HydrophobicContact CD1-CD2 4.34Å; L448-F452 WeakPolarHBondContact O-CB 3.3Å; L448-F452 PolarHBondContact O-N 2.74Å; L448-F506 HydrophobicContact CD1-CE1 4.43Å; L448-F506 HydrophobicContact CD2-CE1 4.12Å; L448-L509 HydrophobicContact CD2-CD1 4.34Å; L448-L517 HydrophobicContact CB-CD1 4.38Å; L448-L517 HydrophobicContact CD2-CD1 4.06Å; L448-L517 HydrophobicContact CD2-CD2 3.87Å; L448-L517 HydrophobicContact CG-CD1 4Å; L448-L517 HydrophobicContact CG-CD2 4.39Å
449	A	98.5	Very high	96.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.1	-50.3	-179.3	0	0	0	0	0	112.5	L445 E446 I447 F452 A453 L517 M520 V521 L524	L445-A449 WeakPolarHBondContact O-CB 3.26Å; L445-A449 PolarHBondContact O-N 3.06Å; E446-A449 WeakPolarHBondContact O-CB 3.46Å; E446-A449 PolarHBondContact O-N 3.18Å; I447-A449 VanDerWaalsContact C-N 3.27Å; I447-A449 PolarHBondContact O-N 2.97Å; A449-F452 PolarHBondContact O-N 3.25Å; A449-A453 WeakPolarHBondContact O-CB 3.43Å; A449-A453 PolarHBondContact O-N 3.14Å; A449-L517 HydrophobicContact CB-CD1 3.73Å; A449-M520 HydrophobicContact CB-CB 3.78Å; A449-M520 HydrophobicContact CB-CE 4Å; A449-M520 HydrophobicContact CB-SD 4.37Å; A449-V521 HydrophobicContact CB-CG2 4.13Å; A449-L524 HydrophobicContact CB-CD1 3.98Å
450	V	98.7	Very high	96.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-70.8	-36.8	-176.2	72.2	0	0	0	0	112.5	L433 E446 A453 A454 L524 L567 I571	L433-V450 HydrophobicContact CD1-CG1 3.81Å; L433-V450 HydrophobicContact CD2-CG1 4.28Å; L433-V450 HydrophobicContact CG-CG1 4.33Å; E446-V450 PolarHBondContact O-N 2.92Å; V450-A453 PolarHBondContact O-N 3.45Å; V450-A454 WeakPolarHBondContact O-CB 3.18Å; V450-A454 PolarHBondContact O-N 2.75Å; V450-L524 HydrophobicContact CB-CD1 4.2Å; V450-L567 HydrophobicContact CB-CD2 4.15Å; V450-L567 HydrophobicContact CG1-CD2 4.08Å; V450-L567 HydrophobicContact CG2-CD2 4.4Å; V450-I571 HydrophobicContact CG2-CB 4.29Å
451	L	98.8	Very high	97.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-71	-40.4	175.1	-65.2	171	0	0	0	111.6	I382 F383 L388 L426 A429 H430 L433 I447 A455	I382-L451 HydrophobicContact CG2-CD1 3.8Å; I382-L451 HydrophobicContact CG2-CD2 4.13Å; F383-L451 HydrophobicContact CE2-CB 3.88Å; F383-L451 HydrophobicContact CZ-CB 4.22Å; L388-L451 HydrophobicContact CD1-CD1 3.81Å; L426-L451 HydrophobicContact CD1-CB 3.99Å; L426-L451 HydrophobicContact CD1-CD2 3.82Å; L426-L451 WeakPolarHBondContact CD1-O 3.28Å; A429-L451 HydrophobicContact CB-CD2 4.46Å; H430-L451 HydrophobicContact CB-CD2 4Å; L433-L451 HydrophobicContact CD1-CD1 4.15Å; L433-L451 HydrophobicContact CD1-CD2 3.97Å; L433-L451 HydrophobicContact CD1-CG 3.95Å; I447-L451 HydrophobicContact CG2-CD1 3.68Å; I447-L451 HydrophobicContact CG2-CG 4.49Å; I447-L451 WeakPolarHBondContact O-CB 3.43Å; I447-L451 WeakPolarHBondContact O-CG 3.42Å; I447-L451 PolarHBondContact O-N 2.95Å; I447-L451 VanDerWaalsContact O-N 3.15Å; L451-A455 PolarHBondContact O-N 2.93Å; L451-A455 VanDerWaalsContact O-N 3.15Å
452	F	98.8	Very high	97.8	Very high	5 Å²	5	6.5 Å²	6.5	2%	0.022	4%	0.036	C	C	.	.	H	α-helix	trans	-63.3	-46.2	172.7	-179.6	-97.6	0	0	0	111.3	Y402 L448 A449 A454 A455 I456 F495 L498 I505 F506 V521	Y402-F452 HydrophobicContact CD1-CE2 4.5Å; Y402-F452 HydrophobicContact CE1-CD2 4.49Å; Y402-F452 AromaticContact CE1-CE2 3.52Å; Y402-F452 HydrophobicContact CE1-CE2 3.52Å; Y402-F452 HydrophobicContact CE1-CZ 4.18Å; Y402-F452 AromaticContact CZ-CE2 3.78Å; Y402-F452 AromaticContact CZ-CZ 3.97Å; Y402-F452 VanDerWaalsContact OH-CZ 3.31Å; Y402-F452 WeakPolarHBondContact OH-CZ 3.14Å; L448-F452 WeakPolarHBondContact O-CB 3.3Å; L448-F452 PolarHBondContact O-N 2.74Å; A449-F452 PolarHBondContact O-N 3.25Å; F452-A454 PolarHBondContact O-N 3.13Å; F452-A455 WeakPolarHBondContact O-CB 3.39Å; F452-A455 PolarHBondContact O-N 3.1Å; F452-I456 HydrophobicContact CD1-CD1 4.28Å; F452-I456 HydrophobicContact CD1-CG1 4.37Å; F452-I456 HydrophobicContact CE1-CD1 3.8Å; F452-I456 HydrophobicContact CE1-CG1 4.24Å; F452-I456 HydrophobicContact CE1-CG2 4.29Å; F452-I456 HydrophobicContact CE2-CG2 4.25Å; F452-I456 HydrophobicContact CZ-CG2 4.09Å; F452-I456 WeakPolarHBondContact O-CG1 3.35Å; F452-I456 PolarHBondContact O-N 2.91Å; F452-F495 HydrophobicContact CE1-CZ 4.42Å; F452-L498 HydrophobicContact CZ-CD1 4.42Å; F452-I505 HydrophobicContact CD2-CD1 3.96Å; F452-I505 HydrophobicContact CE2-CD1 3.76Å; F452-F506 HydrophobicContact CD1-CE2 4.45Å; F452-F506 HydrophobicContact CD1-CZ 4.25Å; F452-F506 HydrophobicContact CD2-CE2 4.25Å; F452-F506 AromaticContact CD2-CZ 3.61Å; F452-F506 HydrophobicContact CD2-CZ 3.61Å; F452-F506 HydrophobicContact CE1-CE2 4.09Å; F452-F506 HydrophobicContact CE1-CZ 4.29Å; F452-F506 AromaticContact CE2-CE2 3.86Å; F452-F506 HydrophobicContact CE2-CE2 3.86Å; F452-F506 AromaticContact CE2-CZ 3.65Å; F452-F506 HydrophobicContact CE2-CZ 3.65Å; F452-F506 AromaticContact CG-CZ 3.91Å; F452-F506 HydrophobicContact CG-CZ 3.91Å; F452-F506 AromaticContact CZ-CE2 3.77Å; F452-F506 HydrophobicContact CZ-CE2 3.77Å; F452-F506 AromaticContact CZ-CZ 4Å; F452-F506 HydrophobicContact CZ-CZ 4Å; F452-V521 HydrophobicContact CD1-CB 4.4Å; F452-V521 HydrophobicContact CD1-CG1 3.76Å; F452-V521 HydrophobicContact CD1-CG2 3.72Å; F452-V521 HydrophobicContact CE1-CG1 3.92Å; F452-V521 HydrophobicContact CE1-CG2 4.42Å
453	A	98.9	Very high	98	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.6	-48.4	177.3	0	0	0	0	0	111.7	A449 V450 A455 I456 H457 V521 L524 V525 I571	A449-A453 WeakPolarHBondContact O-CB 3.43Å; A449-A453 PolarHBondContact O-N 3.14Å; V450-A453 PolarHBondContact O-N 3.45Å; A453-A455 VanDerWaalsContact C-N 3.28Å; A453-A455 PolarHBondContact O-N 3.08Å; A453-I456 CarbonylContact O-C 3.6Å; A453-I456 WeakPolarHBondContact O-CG1 3.23Å; A453-I456 PolarHBondContact O-N 2.79Å; A453-H457 WeakPolarHBondContact O-CB 3.29Å; A453-H457 PolarHBondContact O-N 3.24Å; A453-V521 HydrophobicContact CB-CG1 4.38Å; A453-L524 HydrophobicContact CB-CB 3.81Å; A453-L524 HydrophobicContact CB-CD1 4.25Å; A453-V525 HydrophobicContact CB-CG2 3.92Å; A453-I571 HydrophobicContact CB-CD1 3.73Å
454	A	98.9	Very high	98.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.8	-39.1	176.6	0	0	0	0	0	112.7	V425 L426 A429 V450 F452 I456 H457 I571	V425-A454 HydrophobicContact CG1-CB 4.11Å; L426-A454 HydrophobicContact CB-CB 4.32Å; L426-A454 HydrophobicContact CD1-CB 4.25Å; A429-A454 HydrophobicContact CB-CB 4.12Å; V450-A454 WeakPolarHBondContact O-CB 3.18Å; V450-A454 PolarHBondContact O-N 2.75Å; F452-A454 PolarHBondContact O-N 3.13Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 3.45Å; A454-H457 PolarHBondContact O-ND1 3.43Å; A454-I571 HydrophobicContact CB-CD1 4.29Å; A454-I571 HydrophobicContact CB-CG1 4.48Å
455	A	98.8	Very high	98.4	Very high	3 Å²	3	7.9 Å²	7.9	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-68	-23.5	177	0	0	0	0	0	114.2	L375 Y410 L426 L451 F452 A453	L375-A455 HydrophobicContact CD1-CB 3.99Å; Y410-A455 PolarHBondContact OH-O 2.88Å; Y410-A455 VanDerWaalsContact OH-O 3.1Å; L426-A455 HydrophobicContact CD2-CB 4.07Å; L451-A455 PolarHBondContact O-N 2.93Å; L451-A455 VanDerWaalsContact O-N 3.15Å; F452-A455 WeakPolarHBondContact O-CB 3.39Å; F452-A455 PolarHBondContact O-N 3.1Å; A453-A455 VanDerWaalsContact C-N 3.28Å; A453-A455 PolarHBondContact O-N 3.08Å
456	I	98.8	Very high	98.5	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-114.4	-5	-173.8	69.2	145.7	0	0	0	114.8	V406 F452 A453 A454 D458 V459 L491 A494 V521 V525	V406-I456 HydrophobicContact CG1-CG2 4.41Å; F452-I456 HydrophobicContact CD1-CD1 4.28Å; F452-I456 HydrophobicContact CD1-CG1 4.37Å; F452-I456 HydrophobicContact CE1-CD1 3.8Å; F452-I456 HydrophobicContact CE1-CG1 4.24Å; F452-I456 HydrophobicContact CE1-CG2 4.29Å; F452-I456 HydrophobicContact CE2-CG2 4.25Å; F452-I456 HydrophobicContact CZ-CG2 4.09Å; F452-I456 WeakPolarHBondContact O-CG1 3.35Å; F452-I456 PolarHBondContact O-N 2.91Å; A453-I456 CarbonylContact O-C 3.6Å; A453-I456 WeakPolarHBondContact O-CG1 3.23Å; A453-I456 PolarHBondContact O-N 2.79Å; A454-I456 VanDerWaalsContact C-N 3.28Å; A454-I456 PolarHBondContact O-N 3.45Å; I456-D458 PolarHBondContact O-N 2.99Å; I456-V459 HydrophobicContact CB-CG1 4.47Å; I456-V459 WeakPolarHBondContact O-CG1 3.37Å; I456-V459 PolarHBondContact O-N 2.88Å; I456-V459 VanDerWaalsContact O-N 3.14Å; I456-L491 HydrophobicContact CD1-CD2 4.26Å; I456-A494 HydrophobicContact CB-CB 3.72Å; I456-A494 HydrophobicContact CD1-CB 3.34Å; I456-A494 HydrophobicContact CG1-CB 4.12Å; I456-A494 HydrophobicContact CG2-CB 3.82Å; I456-V521 HydrophobicContact CD1-CG1 3.91Å; I456-V525 HydrophobicContact CD1-CG2 4.12Å; I456-V525 HydrophobicContact CG1-CG2 4.19Å
457	H	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.6	-163.4	73.8	-73.3	0	0	0	114.6	H421 A453 A454 H490 V525 T528 I571	H421-H457 AromaticContact NE2-NE2 3.87Å; A453-H457 WeakPolarHBondContact O-CB 3.29Å; A453-H457 PolarHBondContact O-N 3.24Å; A454-H457 PolarHBondContact O-ND1 3.43Å; H457-H490 VanDerWaalsContact O-CB 3.23Å; H457-H490 WeakPolarHBondContact O-CB 3.39Å; H457-H490 PolarHBondContact O-CD2 3.47Å; H457-V525 HydrophobicContact CB-CG1 4.32Å; H457-V525 HydrophobicContact CB-CG2 4.35Å; H457-T528 HydrophobicContact CB-CG2 4.37Å; H457-I571 HydrophobicContact CB-CD1 4.48Å
458	D	98.8	Very high	98.5	Very high	14 Å²	14	14.8 Å²	14.8	8%	0.075	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	12.7	-177.7	-88.5	-9.7	0	0	0	113.9	Y410 H417 H421 I456 D460 H461 H490	Y410-D458 HydrophobicContact CE1-CB 3.61Å; Y410-D458 VanDerWaalsContact CE1-O 3.27Å; Y410-D458 WeakPolarHBondContact CE1-O 3.34Å; Y410-D458 PolarHBondContact OH-N 3.28Å; H417-D458 IonicContact CD2-OD2 3.32Å; H417-D458 PolarHBondContact CD2-OD2 3.16Å; H417-D458 VanDerWaalsContact CD2-OD2 3.23Å; H417-D458 IonicContact CG-OD2 2.83Å; H421-D458 IonicContact CD2-OD2 3.89Å; H421-D458 PolarHBondContact CD2-OD2 3.34Å; H421-D458 VanDerWaalsContact CD2-OD2 3.24Å; H421-D458 IonicContact NE2-OD2 3.46Å; I456-D458 PolarHBondContact O-N 2.99Å; D458-D460 PolarHBondContact O-N 2.93Å; D458-H461 HydrophobicContact CB-CB 4.44Å; D458-H461 WeakPolarHBondContact O-CB 3.49Å; D458-H461 PolarHBondContact O-N 3.17Å; D458-H490 VanDerWaalsContact C-ND1 3.33Å; D458-H490 IonicContact OD1-NE2 3.52Å
459	V	98.6	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	130.9	-172.1	67	0	0	0	0	111.7	V406 T409 Y410 I456 H490 M493 A494	V406-V459 HydrophobicContact CG1-CB 4.39Å; V406-V459 HydrophobicContact CG1-CG2 3.97Å; T409-V459 HydrophobicContact CG2-CG2 4.11Å; Y410-V459 HydrophobicContact CD2-CB 4.4Å; Y410-V459 HydrophobicContact CD2-CG2 4.17Å; Y410-V459 HydrophobicContact CE2-CB 3.83Å; Y410-V459 HydrophobicContact CE2-CG2 4.03Å; Y410-V459 PolarHBondContact OH-N 3.42Å; I456-V459 HydrophobicContact CB-CG1 4.47Å; I456-V459 WeakPolarHBondContact O-CG1 3.37Å; I456-V459 PolarHBondContact O-N 2.88Å; I456-V459 VanDerWaalsContact O-N 3.14Å; V459-H490 HydrophobicContact CG1-CB 4.3Å; V459-H490 VanDerWaalsContact CG1-O 3.25Å; V459-H490 WeakPolarHBondContact CG1-O 3.27Å; V459-H490 PolarHBondContact O-ND1 3.32Å; V459-M493 HydrophobicContact CG1-CB 4.15Å; V459-M493 HydrophobicContact CG2-CG 4.49Å; V459-A494 HydrophobicContact CG1-CB 4.04Å
460	D	98.6	Very high	98.5	Very high	34 Å²	34	17.1 Å²	17.1	18%	0.182	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	25	-172.3	-149.2	39.1	0	0	0	114.9	T409 H411 D458 P462 H489 M493	T409-D460 HydrophobicContact CG2-CB 3.94Å; T409-D460 WeakPolarHBondContact O-CA 3.42Å; T409-D460 PolarHBondContact O-N 3.27Å; H411-D460 IonicContact CD2-OD1 2.77Å; H411-D460 IonicContact CE1-OD1 3.67Å; H411-D460 IonicContact NE2-OD1 3.42Å; H411-D460 PolarHBondContact NE2-OD1 3.39Å; D458-D460 PolarHBondContact O-N 2.93Å; D460-P462 WeakPolarHBondContact O-CD 3.31Å; D460-H489 IonicContact OD2-CD2 3.81Å; D460-H489 IonicContact OD2-CE1 3.69Å; D460-H489 IonicContact OD2-NE2 3.66Å; D460-H489 PolarHBondContact OD2-NE2 2.67Å; D460-M493 HydrophobicContact CB-CE 4.31Å; D460-M493 HydrophobicContact CB-CG 4.21Å; D460-M493 VanDerWaalsContact OD2-CE 3.25Å; D460-M493 WeakPolarHBondContact OD2-CE 3.5Å
461	H	98.7	Very high	98.4	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.037	12%	0.115	C	C	.	.			trans	-65.2	121.1	174.8	-170.6	-87.8	0	0	0	112.5	H417 D458 G463 H490 E596	H417-H461 HydrophobicContact CB-CB 3.91Å; H417-H461 VanDerWaalsContact CB-ND1 3.3Å; H417-H461 WeakPolarHBondContact CB-ND1 3.44Å; H417-H461 AromaticContact CE1-CE1 3.9Å; H417-H461 AromaticContact CG-CE1 3.58Å; H417-H461 AromaticContact CG-ND1 3.58Å; H417-H461 AromaticContact ND1-CE1 3.33Å; H417-H461 PolarHBondContact ND1-CE1 3.37Å; H417-H461 VanDerWaalsContact ND1-CE1 3.33Å; H417-H461 AromaticContact ND1-ND1 3.67Å; D458-H461 HydrophobicContact CB-CB 4.44Å; D458-H461 WeakPolarHBondContact O-CB 3.49Å; D458-H461 PolarHBondContact O-N 3.17Å; H461-G463 PolarHBondContact ND1-N 3.13Å; H461-G463 VanDerWaalsContact ND1-N 3.17Å; H461-G463 PolarHBondContact O-N 3.37Å; H461-H490 AromaticContact CD2-CE1 3.93Å; H461-H490 AromaticContact CD2-NE2 3.77Å; H461-E596 IonicContact CE1-OE1 3.49Å; H461-E596 IonicContact ND1-OE1 3.77Å
462	P	98.3	Very high	98.3	Very high	30 Å²	30	23.8 Å²	23.8	20%	0.195	13%	0.129	C	C	.	.			trans	-82.5	12.2	-171.9	34.3	-37.1	0	0	0	114.9	D460 V464 L469 L486 K603	D460-P462 WeakPolarHBondContact O-CD 3.31Å; P462-V464 HydrophobicContact CB-CG2 4.28Å; P462-V464 HydrophobicContact CG-CG2 3.8Å; P462-L469 HydrophobicContact CG-CD2 4.47Å; P462-L486 VanDerWaalsContact CD-CD2 3.48Å; P462-L486 HydrophobicContact CG-CD2 3.98Å; P462-K603 PolarHBondContact O-NZ 2.82Å
463	G	98.3	Very high	98.2	Very high	4 Å²	4	25.5 Å²	25.5	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	67.7	33	-178.8	0	0	0	0	0	114.6	H461 E596	H461-G463 PolarHBondContact ND1-N 3.13Å; H461-G463 VanDerWaalsContact ND1-N 3.17Å; H461-G463 PolarHBondContact O-N 3.37Å; G463-E596 VanDerWaalsContact CA-OE1 3.23Å; G463-E596 WeakPolarHBondContact CA-OE1 3.4Å
464	V	98.3	Very high	98.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	17%	0.166	C	C	.	.	S	Bend	trans	-150.8	149.8	177.6	-66.5	0	0	0	0	110.6	P462 F468 L469 L486 Q600 K603	P462-V464 HydrophobicContact CB-CG2 4.28Å; P462-V464 HydrophobicContact CG-CG2 3.8Å; V464-F468 HydrophobicContact CB-CB 4.19Å; V464-F468 HydrophobicContact CB-CD1 3.61Å; V464-F468 HydrophobicContact CB-CE1 4.2Å; V464-F468 HydrophobicContact CB-CG 3.96Å; V464-F468 HydrophobicContact CG1-CD1 3.84Å; V464-F468 HydrophobicContact CG1-CE1 3.96Å; V464-F468 HydrophobicContact CG1-CG 4.21Å; V464-F468 HydrophobicContact CG1-CZ 4.42Å; V464-F468 HydrophobicContact CG2-CD1 3.6Å; V464-F468 HydrophobicContact CG2-CE1 4.07Å; V464-F468 HydrophobicContact CG2-CG 4.41Å; V464-L469 HydrophobicContact CG2-CD2 3.66Å; V464-L469 HydrophobicContact CG2-CG 4.19Å; V464-L486 WeakPolarHBondContact O-CD1 3.42Å; V464-Q600 HydrophobicContact CB-CG 4.32Å; V464-Q600 HydrophobicContact CG1-CB 4.2Å; V464-Q600 HydrophobicContact CG1-CG 3.94Å; V464-K603 HydrophobicContact CG1-CD 3.81Å
465	T	98.3	Very high	98.1	Very high	54 Å²	54	35.2 Å²	35.2	33%	0.331	19%	0.194	S	C	.	.			trans	-70.2	157.8	-177.1	57.3	0	0	0	0	114.7	Q467 F468 L469 Q600	T465-Q467 PolarHBondContact O-N 3.27Å; T465-F468 WeakPolarHBondContact O-CB 3.34Å; T465-F468 PolarHBondContact O-N 3.22Å; T465-F468 PolarHBondContact OG1-N 3.46Å; T465-L469 PolarHBondContact O-N 3.27Å; T465-L469 VanDerWaalsContact O-N 3.17Å; T465-Q600 PolarHBondContact OG1-NE2 3.28Å; T465-Q600 PolarHBondContact OG1-OE1 3.44Å
466	N	98.2	Very high	98	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-46	-44.4	167.6	-85.1	-33.1	0	0	0	112.5	L469 I470 V485 L486 E487	N466-L469 PolarHBondContact O-N 3.46Å; N466-I470 WeakPolarHBondContact O-CD1 3.41Å; N466-I470 VanDerWaalsContact O-CG1 3.28Å; N466-I470 WeakPolarHBondContact O-CG1 3.22Å; N466-I470 PolarHBondContact O-N 2.95Å; N466-I470 VanDerWaalsContact O-N 3.09Å; N466-V485 WeakPolarHBondContact OD1-CB 3.4Å; N466-V485 PolarHBondContact OD1-N 3.02Å; N466-L486 HydrophobicContact CB-CD1 4.48Å; N466-L486 WeakPolarHBondContact OD1-CB 3.2Å; N466-L486 VanDerWaalsContact OD1-CG 3.28Å; N466-L486 WeakPolarHBondContact OD1-CG 3.27Å; N466-L486 PolarHBondContact OD1-N 3.28Å; N466-E487 PolarHBondContact ND2-OE1 3.49Å; N466-E487 PolarHBondContact ND2-OE2 3.39Å
467	Q	97.6	Very high	98	Very high	106 Å²	106	36 Å²	36	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-67.4	-36.9	-178.6	-170.1	62.7	62.8	0	0	112.8	T465 I470 N471	T465-Q467 PolarHBondContact O-N 3.27Å; Q467-I470 PolarHBondContact O-N 3.22Å; Q467-N471 PolarHBondContact NE2-OD1 2.97Å; Q467-N471 WeakPolarHBondContact O-CB 3.36Å; Q467-N471 PolarHBondContact O-N 3.08Å; Q467-N471 PolarHBondContact O-ND2 3.32Å; Q467-N471 PolarHBondContact O-OD1 3.42Å
468	F	98.1	Very high	97.9	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-45.4	173.6	175.9	-84.4	0	0	0	111.3	V464 T465 I470 N471 T472 Q600 K603 E604 L607	V464-F468 HydrophobicContact CB-CB 4.19Å; V464-F468 HydrophobicContact CB-CD1 3.61Å; V464-F468 HydrophobicContact CB-CE1 4.2Å; V464-F468 HydrophobicContact CB-CG 3.96Å; V464-F468 HydrophobicContact CG1-CD1 3.84Å; V464-F468 HydrophobicContact CG1-CE1 3.96Å; V464-F468 HydrophobicContact CG1-CG 4.21Å; V464-F468 HydrophobicContact CG1-CZ 4.42Å; V464-F468 HydrophobicContact CG2-CD1 3.6Å; V464-F468 HydrophobicContact CG2-CE1 4.07Å; V464-F468 HydrophobicContact CG2-CG 4.41Å; T465-F468 WeakPolarHBondContact O-CB 3.34Å; T465-F468 PolarHBondContact O-N 3.22Å; T465-F468 PolarHBondContact OG1-N 3.46Å; F468-I470 VanDerWaalsContact C-N 3.33Å; F468-I470 PolarHBondContact O-N 2.83Å; F468-N471 PolarHBondContact O-N 3.38Å; F468-T472 HydrophobicContact CD1-CG2 4.25Å; F468-T472 HydrophobicContact CD2-CG2 4.46Å; F468-T472 HydrophobicContact CE1-CG2 3.84Å; F468-T472 HydrophobicContact CE2-CG2 4.08Å; F468-T472 HydrophobicContact CZ-CG2 3.75Å; F468-T472 WeakPolarHBondContact O-CB 3.22Å; F468-T472 WeakPolarHBondContact O-CG2 3.45Å; F468-T472 PolarHBondContact O-N 2.93Å; F468-T472 PolarHBondContact O-OG1 2.99Å; F468-Q600 HydrophobicContact CB-CG 4.28Å; F468-Q600 HydrophobicContact CD2-CG 3.67Å; F468-Q600 HydrophobicContact CE2-CG 4.27Å; F468-Q600 HydrophobicContact CG-CG 4.07Å; F468-K603 HydrophobicContact CE2-CB 3.97Å; F468-K603 HydrophobicContact CZ-CB 3.91Å; F468-K603 HydrophobicContact CZ-CD 4.3Å; F468-E604 HydrophobicContact CD2-CG 3.63Å; F468-E604 HydrophobicContact CE2-CG 3.68Å; F468-L607 HydrophobicContact CE2-CD1 4.37Å; F468-L607 HydrophobicContact CZ-CD1 4Å
469	L	98.3	Very high	97.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-41.3	178.3	-62.3	-179.7	0	0	0	112.1	P462 V464 T465 N466 T472 G473 H474 L476 A477 V485 L486	P462-L469 HydrophobicContact CG-CD2 4.47Å; V464-L469 HydrophobicContact CG2-CD2 3.66Å; V464-L469 HydrophobicContact CG2-CG 4.19Å; T465-L469 PolarHBondContact O-N 3.27Å; T465-L469 VanDerWaalsContact O-N 3.17Å; N466-L469 PolarHBondContact O-N 3.46Å; L469-T472 PolarHBondContact O-OG1 3.34Å; L469-G473 PolarHBondContact O-N 2.81Å; L469-H474 HydrophobicContact CB-CB 4.06Å; L469-H474 HydrophobicContact CD2-CB 3.91Å; L469-H474 WeakPolarHBondContact O-CB 3.4Å; L469-H474 PolarHBondContact O-N 2.78Å; L469-L476 HydrophobicContact CD1-CD1 4.41Å; L469-A477 HydrophobicContact CB-CB 4.29Å; L469-V485 HydrophobicContact CD1-CG1 3.93Å; L469-L486 HydrophobicContact CD1-CD2 3.74Å; L469-L486 HydrophobicContact CD1-CG 3.9Å
470	I	97.8	Very high	97.8	Very high	49 Å²	49	47.1 Å²	47.1	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-65.6	-49	175.8	-65	162.6	0	0	0	110.5	N466 Q467 F468 T472 G473 A477 D482 V485	N466-I470 WeakPolarHBondContact O-CD1 3.41Å; N466-I470 VanDerWaalsContact O-CG1 3.28Å; N466-I470 WeakPolarHBondContact O-CG1 3.22Å; N466-I470 PolarHBondContact O-N 2.95Å; N466-I470 VanDerWaalsContact O-N 3.09Å; Q467-I470 PolarHBondContact O-N 3.22Å; F468-I470 VanDerWaalsContact C-N 3.33Å; F468-I470 PolarHBondContact O-N 2.83Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 2.93Å; I470-G473 PolarHBondContact O-N 2.88Å; I470-G473 VanDerWaalsContact O-N 3.07Å; I470-A477 HydrophobicContact CG1-CB 4.03Å; I470-D482 HydrophobicContact CD1-CB 3.93Å; I470-D482 HydrophobicContact CG1-CB 3.97Å; I470-D482 HydrophobicContact CG2-CB 4.44Å; I470-V485 HydrophobicContact CG1-CG2 4.39Å
471	N	96.8	Very high	97.8	Very high	91 Å²	91	51.6 Å²	51.6	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-32.8	-178.2	-73	-6	0	0	0	113.2	Q467 F468	Q467-N471 PolarHBondContact NE2-OD1 2.97Å; Q467-N471 WeakPolarHBondContact O-CB 3.36Å; Q467-N471 PolarHBondContact O-N 3.08Å; Q467-N471 PolarHBondContact O-ND2 3.32Å; Q467-N471 PolarHBondContact O-OD1 3.42Å; F468-N471 PolarHBondContact O-N 3.38Å
472	T	97.3	Very high	97.8	Very high	49 Å²	49	55.6 Å²	55.6	30%	0.301	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.2	177.7	52.8	0	0	0	0	113.7	F468 L469 I470 H474 L607 L609	F468-T472 HydrophobicContact CD1-CG2 4.25Å; F468-T472 HydrophobicContact CD2-CG2 4.46Å; F468-T472 HydrophobicContact CE1-CG2 3.84Å; F468-T472 HydrophobicContact CE2-CG2 4.08Å; F468-T472 HydrophobicContact CZ-CG2 3.75Å; F468-T472 WeakPolarHBondContact O-CB 3.22Å; F468-T472 WeakPolarHBondContact O-CG2 3.45Å; F468-T472 PolarHBondContact O-N 2.93Å; F468-T472 PolarHBondContact O-OG1 2.99Å; L469-T472 PolarHBondContact O-OG1 3.34Å; I470-T472 VanDerWaalsContact C-N 3.27Å; I470-T472 PolarHBondContact O-N 2.93Å; T472-H474 VanDerWaalsContact C-N 3.27Å; T472-H474 PolarHBondContact O-N 3.28Å; T472-L607 HydrophobicContact CG2-CD1 3.67Å; T472-L609 HydrophobicContact CG2-CD1 3.89Å
473	G	96.2	Very high	97.7	Very high	41 Å²	41	56.8 Å²	56.8	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	33.1	-173.1	0	0	0	0	0	112.8	L469 I470	L469-G473 PolarHBondContact O-N 2.81Å; I470-G473 PolarHBondContact O-N 2.88Å; I470-G473 VanDerWaalsContact O-N 3.07Å
474	H	97.7	Very high	97.7	Very high	79 Å²	79	57.6 Å²	57.6	37%	0.366	31%	0.313	S	S	.	.			trans	-60.8	148.5	-176.7	-168.5	-98.7	0	0	0	111.8	L469 T472 L476 A477 L478	L469-H474 HydrophobicContact CB-CB 4.06Å; L469-H474 HydrophobicContact CD2-CB 3.91Å; L469-H474 WeakPolarHBondContact O-CB 3.4Å; L469-H474 PolarHBondContact O-N 2.78Å; T472-H474 VanDerWaalsContact C-N 3.27Å; T472-H474 PolarHBondContact O-N 3.28Å; H474-L476 VanDerWaalsContact C-N 3.26Å; H474-L476 PolarHBondContact ND1-N 3.36Å; H474-L476 PolarHBondContact O-N 3.32Å; H474-A477 WeakPolarHBondContact O-CB 3.25Å; H474-A477 PolarHBondContact O-N 2.99Å; H474-L478 PolarHBondContact O-N 3.14Å; H474-L478 VanDerWaalsContact O-N 3.13Å
475	E	97.8	Very high	97.7	Very high	125 Å²	125	57.2 Å²	57.2	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-54.6	-40.9	-176.2	-177.1	170.5	-161.8	0	0	112.7	A477 L478 Q479	E475-A477 PolarHBondContact O-N 3Å; E475-L478 PolarHBondContact O-N 3.25Å; E475-Q479 WeakPolarHBondContact O-CB 3.34Å; E475-Q479 PolarHBondContact O-N 3.05Å
476	L	97.7	Very high	97.7	Very high	21 Å²	21	55 Å²	55	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-42.7	174.7	-60.4	179.7	0	0	0	112.6	L469 H474 Q479 Y480 V485 H489	L469-L476 HydrophobicContact CD1-CD1 4.41Å; H474-L476 VanDerWaalsContact C-N 3.26Å; H474-L476 PolarHBondContact ND1-N 3.36Å; H474-L476 PolarHBondContact O-N 3.32Å; L476-Q479 PolarHBondContact O-N 2.84Å; L476-Y480 HydrophobicContact CB-CD2 4.45Å; L476-Y480 HydrophobicContact CD2-CE2 4.22Å; L476-Y480 WeakPolarHBondContact O-CD2 3.34Å; L476-Y480 PolarHBondContact O-N 3.42Å; L476-V485 VanDerWaalsContact C-CG1 3.45Å; L476-V485 HydrophobicContact CB-CG1 3.72Å; L476-V485 WeakPolarHBondContact O-CG1 3.33Å; L476-H489 WeakPolarHBondContact CD2-ND1 3.42Å
477	A	97.9	Very high	97.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-40.9	179.5	0	0	0	0	0	111.2	L469 I470 H474 E475 N481 D482 V485	L469-A477 HydrophobicContact CB-CB 4.29Å; I470-A477 HydrophobicContact CG1-CB 4.03Å; H474-A477 WeakPolarHBondContact O-CB 3.25Å; H474-A477 PolarHBondContact O-N 2.99Å; E475-A477 PolarHBondContact O-N 3Å; A477-N481 WeakPolarHBondContact O-CA 3.45Å; A477-N481 PolarHBondContact O-N 2.77Å; A477-D482 PolarHBondContact O-N 3.24Å; A477-V485 HydrophobicContact CB-CG1 4.29Å; A477-V485 HydrophobicContact CB-CG2 4.29Å
478	L	97.6	Very high	97.8	Very high	118 Å²	118	51.9 Å²	51.9	62%	0.618	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-42.2	173.1	-60.9	175.9	0	0	0	112.2	H474 E475	H474-L478 PolarHBondContact O-N 3.14Å; H474-L478 VanDerWaalsContact O-N 3.13Å; E475-L478 PolarHBondContact O-N 3.25Å
479	Q	97.5	Very high	97.8	Very high	92 Å²	92	51.7 Å²	51.7	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-44.2	179.3	177.1	172.1	-35.9	0	0	112.1	E475 L476 N481	E475-Q479 WeakPolarHBondContact O-CB 3.34Å; E475-Q479 PolarHBondContact O-N 3.05Å; L476-Q479 PolarHBondContact O-N 2.84Å; Q479-N481 PolarHBondContact O-ND2 2.89Å; Q479-N481 VanDerWaalsContact O-ND2 3.17Å
480	Y	97.8	Very high	97.8	Very high	36 Å²	36	51.8 Å²	51.8	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-95.1	7.1	-178.4	-59.9	-62.9	0	0	0	114	L476 D482 A483 V485 N488 H489 Y492	L476-Y480 HydrophobicContact CB-CD2 4.45Å; L476-Y480 HydrophobicContact CD2-CE2 4.22Å; L476-Y480 WeakPolarHBondContact O-CD2 3.34Å; L476-Y480 PolarHBondContact O-N 3.42Å; Y480-D482 VanDerWaalsContact C-N 3.35Å; Y480-D482 PolarHBondContact O-N 3.18Å; Y480-A483 PolarHBondContact O-N 3.22Å; Y480-V485 HydrophobicContact CD2-CG1 4.2Å; Y480-V485 VanDerWaalsContact CD2-O 3.24Å; Y480-V485 WeakPolarHBondContact CD2-O 3.47Å; Y480-N488 HydrophobicContact CD1-CB 3.48Å; Y480-N488 VanDerWaalsContact CD1-CB 3.48Å; Y480-N488 HydrophobicContact CD2-CB 4.36Å; Y480-N488 HydrophobicContact CE1-CB 3.7Å; Y480-N488 HydrophobicContact CG-CB 3.85Å; Y480-H489 HydrophobicContact CD2-CB 4.45Å; Y480-H489 HydrophobicContact CE2-CB 3.66Å; Y480-Y492 VanDerWaalsContact OH-CB 3.27Å; Y480-Y492 WeakPolarHBondContact OH-CB 3.37Å
481	N	97.8	Very high	97.9	Very high	128 Å²	128	49.9 Å²	49.9	68%	0.684	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	47.8	174.5	-57	-105.5	0	0	0	112.4	A477 Q479 A483	A477-N481 WeakPolarHBondContact O-CA 3.45Å; A477-N481 PolarHBondContact O-N 2.77Å; Q479-N481 PolarHBondContact O-ND2 2.89Å; Q479-N481 VanDerWaalsContact O-ND2 3.17Å; N481-A483 PolarHBondContact O-N 2.67Å
482	D	98	Very high	97.9	Very high	92 Å²	92	50.5 Å²	50.5	49%	0.492	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	10.9	178.4	-48.2	-36.3	0	0	0	115.7	I470 A477 Y480	I470-D482 HydrophobicContact CD1-CB 3.93Å; I470-D482 HydrophobicContact CG1-CB 3.97Å; I470-D482 HydrophobicContact CG2-CB 4.44Å; A477-D482 PolarHBondContact O-N 3.24Å; Y480-D482 VanDerWaalsContact C-N 3.35Å; Y480-D482 PolarHBondContact O-N 3.18Å
483	A	96.5	Very high	98	Very high	56 Å²	56	49.3 Å²	49.3	46%	0.463	26%	0.261	S	S	.	.	S	Bend	trans	-111.6	102.6	-173	0	0	0	0	0	111.9	Y480 N481 V485 N488	Y480-A483 PolarHBondContact O-N 3.22Å; N481-A483 PolarHBondContact O-N 2.67Å; A483-V485 PolarHBondContact O-N 2.93Å; A483-N488 PolarHBondContact O-ND2 2.94Å
484	S	97.7	Very high	98.1	Very high	20 Å²	20	47.3 Å²	47.3	14%	0.14	24%	0.241	C	C	.	.	S	Bend	trans	51.7	57.8	178.1	-48.9	0	0	0	0	110.4	E487 N488 D529 K532	S484-E487 WeakPolarHBondContact CA-OE2 3.26Å; S484-E487 WeakPolarHBondContact CB-OE2 3.2Å; S484-E487 PolarHBondContact O-N 3.18Å; S484-N488 WeakPolarHBondContact O-CB 3.42Å; S484-N488 PolarHBondContact O-N 2.88Å; S484-N488 PolarHBondContact O-ND2 2.96Å; S484-D529 VanDerWaalsContact CB-OD2 3.26Å; S484-D529 WeakPolarHBondContact CB-OD2 3.35Å; S484-D529 PolarHBondContact OG-OD2 2.92Å; S484-K532 PolarHBondContact OG-NZ 3.45Å; S484-K532 VanDerWaalsContact OG-NZ 3.12Å
485	V	98.7	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-47.2	-161.4	172.3	0	0	0	0	110.8	N466 L469 I470 L476 A477 Y480 A483 E487 H489	N466-V485 WeakPolarHBondContact OD1-CB 3.4Å; N466-V485 PolarHBondContact OD1-N 3.02Å; L469-V485 HydrophobicContact CD1-CG1 3.93Å; I470-V485 HydrophobicContact CG1-CG2 4.39Å; L476-V485 VanDerWaalsContact C-CG1 3.45Å; L476-V485 HydrophobicContact CB-CG1 3.72Å; L476-V485 WeakPolarHBondContact O-CG1 3.33Å; A477-V485 HydrophobicContact CB-CG1 4.29Å; A477-V485 HydrophobicContact CB-CG2 4.29Å; Y480-V485 HydrophobicContact CD2-CG1 4.2Å; Y480-V485 VanDerWaalsContact CD2-O 3.24Å; Y480-V485 WeakPolarHBondContact CD2-O 3.47Å; A483-V485 PolarHBondContact O-N 2.93Å; V485-E487 PolarHBondContact N-OE2 3.35Å; V485-H489 WeakPolarHBondContact O-CB 3.35Å; V485-H489 PolarHBondContact O-N 3.01Å
486	L	98.7	Very high	98.2	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-48.2	177	-74.3	167.5	0	0	0	111	P462 V464 N466 L469 N488 H489 H490	P462-L486 VanDerWaalsContact CD-CD2 3.48Å; P462-L486 HydrophobicContact CG-CD2 3.98Å; V464-L486 WeakPolarHBondContact O-CD1 3.42Å; N466-L486 HydrophobicContact CB-CD1 4.48Å; N466-L486 WeakPolarHBondContact OD1-CB 3.2Å; N466-L486 VanDerWaalsContact OD1-CG 3.28Å; N466-L486 WeakPolarHBondContact OD1-CG 3.27Å; N466-L486 PolarHBondContact OD1-N 3.28Å; L469-L486 HydrophobicContact CD1-CD2 3.74Å; L469-L486 HydrophobicContact CD1-CG 3.9Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.73Å; L486-H489 CarbonylContact O-C 3.59Å; L486-H489 VanDerWaalsContact O-CA 3.32Å; L486-H489 WeakPolarHBondContact O-CA 3.45Å; L486-H489 VanDerWaalsContact O-CB 3.25Å; L486-H489 WeakPolarHBondContact O-CB 3.45Å; L486-H489 PolarHBondContact O-N 3.4Å; L486-H490 WeakPolarHBondContact CB-NE2 3.31Å; L486-H490 PolarHBondContact O-CD2 3.24Å; L486-H490 PolarHBondContact O-N 3.03Å; L486-H490 PolarHBondContact O-NE2 2.93Å
487	E	98.7	Very high	98.2	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-36.5	-173.9	-54.5	81	-175.7	0	0	111.8	N466 S484 V485 L491 V525 L526 D529	N466-E487 PolarHBondContact ND2-OE1 3.49Å; N466-E487 PolarHBondContact ND2-OE2 3.39Å; S484-E487 WeakPolarHBondContact CA-OE2 3.26Å; S484-E487 WeakPolarHBondContact CB-OE2 3.2Å; S484-E487 PolarHBondContact O-N 3.18Å; V485-E487 PolarHBondContact N-OE2 3.35Å; E487-L491 WeakPolarHBondContact O-CD1 3.37Å; E487-L491 WeakPolarHBondContact O-CG 3.48Å; E487-L491 PolarHBondContact O-N 2.9Å; E487-V525 HydrophobicContact CB-CG1 4.48Å; E487-L526 HydrophobicContact CB-CD2 4Å; E487-D529 HydrophobicContact CG-CB 3.81Å; E487-D529 WeakPolarHBondContact OE1-CA 3.18Å; E487-D529 WeakPolarHBondContact OE1-CB 3.4Å
488	N	98.7	Very high	98.2	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-34.3	169	-80.3	-79.4	0	0	0	112.8	Y480 A483 S484 L486 Y492	Y480-N488 HydrophobicContact CD1-CB 3.48Å; Y480-N488 VanDerWaalsContact CD1-CB 3.48Å; Y480-N488 HydrophobicContact CD2-CB 4.36Å; Y480-N488 HydrophobicContact CE1-CB 3.7Å; Y480-N488 HydrophobicContact CG-CB 3.85Å; A483-N488 PolarHBondContact O-ND2 2.94Å; S484-N488 WeakPolarHBondContact O-CB 3.42Å; S484-N488 PolarHBondContact O-N 2.88Å; S484-N488 PolarHBondContact O-ND2 2.96Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.73Å; N488-Y492 WeakPolarHBondContact O-CB 3.38Å; N488-Y492 PolarHBondContact O-N 3.01Å
489	H	98.7	Very high	98.2	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-45	177.7	-172.2	56.2	0	0	0	112.5	D460 L476 Y480 V485 L486 L491 Y492 M493	D460-H489 IonicContact OD2-CD2 3.81Å; D460-H489 IonicContact OD2-CE1 3.69Å; D460-H489 IonicContact OD2-NE2 3.66Å; D460-H489 PolarHBondContact OD2-NE2 2.67Å; L476-H489 WeakPolarHBondContact CD2-ND1 3.42Å; Y480-H489 HydrophobicContact CD2-CB 4.45Å; Y480-H489 HydrophobicContact CE2-CB 3.66Å; V485-H489 WeakPolarHBondContact O-CB 3.35Å; V485-H489 PolarHBondContact O-N 3.01Å; L486-H489 CarbonylContact O-C 3.59Å; L486-H489 VanDerWaalsContact O-CA 3.32Å; L486-H489 WeakPolarHBondContact O-CA 3.45Å; L486-H489 VanDerWaalsContact O-CB 3.25Å; L486-H489 WeakPolarHBondContact O-CB 3.45Å; L486-H489 PolarHBondContact O-N 3.4Å; H489-L491 VanDerWaalsContact C-N 3.32Å; H489-L491 PolarHBondContact O-N 2.83Å; H489-Y492 WeakPolarHBondContact O-CB 3.43Å; H489-Y492 PolarHBondContact O-N 3.42Å; H489-Y492 VanDerWaalsContact O-N 3.12Å; H489-M493 PolarHBondContact O-N 3.16Å
490	H	98.8	Very high	98.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-56.7	-47.4	175.1	-55.3	-36.5	0	0	0	110.7	H457 D458 V459 H461 L486 M493 A494 V525	H457-H490 VanDerWaalsContact O-CB 3.23Å; H457-H490 WeakPolarHBondContact O-CB 3.39Å; H457-H490 PolarHBondContact O-CD2 3.47Å; D458-H490 VanDerWaalsContact C-ND1 3.33Å; D458-H490 IonicContact OD1-NE2 3.52Å; V459-H490 HydrophobicContact CG1-CB 4.3Å; V459-H490 VanDerWaalsContact CG1-O 3.25Å; V459-H490 WeakPolarHBondContact CG1-O 3.27Å; V459-H490 PolarHBondContact O-ND1 3.32Å; H461-H490 AromaticContact CD2-CE1 3.93Å; H461-H490 AromaticContact CD2-NE2 3.77Å; L486-H490 WeakPolarHBondContact CB-NE2 3.31Å; L486-H490 PolarHBondContact O-CD2 3.24Å; L486-H490 PolarHBondContact O-N 3.03Å; L486-H490 PolarHBondContact O-NE2 2.93Å; H490-M493 PolarHBondContact O-N 3.35Å; H490-A494 VanDerWaalsContact O-CB 3.32Å; H490-A494 WeakPolarHBondContact O-CB 3.29Å; H490-A494 PolarHBondContact O-N 3.21Å; H490-V525 HydrophobicContact CB-CG1 4.41Å
491	L	98.8	Very high	98	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-49.4	171.7	-76.2	167.2	0	0	0	112.7	I456 E487 H489 M493 F495 V521 I522 V525 L526	I456-L491 HydrophobicContact CD1-CD2 4.26Å; E487-L491 WeakPolarHBondContact O-CD1 3.37Å; E487-L491 WeakPolarHBondContact O-CG 3.48Å; E487-L491 PolarHBondContact O-N 2.9Å; H489-L491 VanDerWaalsContact C-N 3.32Å; H489-L491 PolarHBondContact O-N 2.83Å; L491-M493 VanDerWaalsContact C-N 3.34Å; L491-M493 PolarHBondContact O-N 2.75Å; L491-F495 HydrophobicContact CD2-CD2 4.31Å; L491-F495 HydrophobicContact CD2-CE2 3.89Å; L491-F495 WeakPolarHBondContact O-CB 3.48Å; L491-F495 VanDerWaalsContact O-CD2 3.27Å; L491-F495 WeakPolarHBondContact O-CD2 3.27Å; L491-F495 PolarHBondContact O-N 3.22Å; L491-F495 VanDerWaalsContact O-N 3.08Å; L491-V521 HydrophobicContact CD2-CG1 4Å; L491-I522 HydrophobicContact CD1-CB 4.28Å; L491-I522 HydrophobicContact CD1-CG1 4.18Å; L491-I522 HydrophobicContact CD1-CG2 4.14Å; L491-I522 HydrophobicContact CD2-CG1 4Å; L491-V525 HydrophobicContact CD1-CB 4.08Å; L491-V525 HydrophobicContact CD1-CG1 4.32Å; L491-V525 HydrophobicContact CD2-CB 3.83Å; L491-V525 HydrophobicContact CD2-CG1 4.37Å; L491-V525 HydrophobicContact CD2-CG2 3.92Å; L491-V525 HydrophobicContact CG-CB 3.81Å; L491-V525 HydrophobicContact CG-CG1 3.88Å; L491-V525 HydrophobicContact CG-CG2 4.35Å; L491-L526 HydrophobicContact CD1-CD2 4.07Å; L491-L526 HydrophobicContact CD1-CG 3.89Å
492	Y	98.5	Very high	97.8	Very high	105 Å²	105	45 Å²	45	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-56.4	-48.2	178.5	164.6	-104.6	0	0	0	111.5	Y480 N488 H489 K496	Y480-Y492 VanDerWaalsContact OH-CB 3.27Å; Y480-Y492 WeakPolarHBondContact OH-CB 3.37Å; N488-Y492 WeakPolarHBondContact O-CB 3.38Å; N488-Y492 PolarHBondContact O-N 3.01Å; H489-Y492 WeakPolarHBondContact O-CB 3.43Å; H489-Y492 PolarHBondContact O-N 3.42Å; H489-Y492 VanDerWaalsContact O-N 3.12Å; Y492-K496 HydrophobicContact CE1-CD 3.98Å; Y492-K496 HydrophobicContact CE2-CD 4.42Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.34Å; Y492-K496 PolarHBondContact OH-NZ 2.93Å; Y492-K496 VanDerWaalsContact OH-NZ 3.14Å
493	M	98.4	Very high	97.8	Very high	23 Å²	23	40.9 Å²	40.9	11%	0.113	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-48.1	-177.2	-170.3	61	75.8	0	0	111.8	T409 V459 D460 H489 H490 L491 F495 K496 I497	T409-M493 HydrophobicContact CG2-CE 4.47Å; T409-M493 HydrophobicContact CG2-CG 3.77Å; T409-M493 HydrophobicContact CG2-SD 4.2Å; V459-M493 HydrophobicContact CG1-CB 4.15Å; V459-M493 HydrophobicContact CG2-CG 4.49Å; D460-M493 HydrophobicContact CB-CE 4.31Å; D460-M493 HydrophobicContact CB-CG 4.21Å; D460-M493 VanDerWaalsContact OD2-CE 3.25Å; D460-M493 WeakPolarHBondContact OD2-CE 3.5Å; H489-M493 PolarHBondContact O-N 3.16Å; H490-M493 PolarHBondContact O-N 3.35Å; L491-M493 VanDerWaalsContact C-N 3.34Å; L491-M493 PolarHBondContact O-N 2.75Å; M493-F495 VanDerWaalsContact C-N 3.33Å; M493-F495 PolarHBondContact O-N 3.31Å; M493-K496 WeakPolarHBondContact O-CB 3.41Å; M493-K496 PolarHBondContact O-N 3.17Å; M493-K496 VanDerWaalsContact O-N 3.15Å; M493-K496 HydrophobicContact SD-CD 4.23Å; M493-I497 HydrophobicContact CG-CD1 4.16Å; M493-I497 WeakPolarHBondContact O-CG1 3.31Å; M493-I497 PolarHBondContact O-N 3.16Å
494	A	98.4	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-43.4	178.7	0	0	0	0	0	113	Y402 I456 V459 H490	Y402-A494 PolarHBondContact OH-O 3.45Å; I456-A494 HydrophobicContact CB-CB 3.72Å; I456-A494 HydrophobicContact CD1-CB 3.34Å; I456-A494 HydrophobicContact CG1-CB 4.12Å; I456-A494 HydrophobicContact CG2-CB 3.82Å; V459-A494 HydrophobicContact CG1-CB 4.04Å; H490-A494 VanDerWaalsContact O-CB 3.32Å; H490-A494 WeakPolarHBondContact O-CB 3.29Å; H490-A494 PolarHBondContact O-N 3.21Å
495	F	98.4	Very high	97.9	Very high	28 Å²	28	39.8 Å²	39.8	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-77.3	-25.3	177.9	-79.1	-76.6	0	0	0	113.4	F452 L491 M493 L498 R518 V521 I522	F452-F495 HydrophobicContact CE1-CZ 4.42Å; L491-F495 HydrophobicContact CD2-CD2 4.31Å; L491-F495 HydrophobicContact CD2-CE2 3.89Å; L491-F495 WeakPolarHBondContact O-CB 3.48Å; L491-F495 VanDerWaalsContact O-CD2 3.27Å; L491-F495 WeakPolarHBondContact O-CD2 3.27Å; L491-F495 PolarHBondContact O-N 3.22Å; L491-F495 VanDerWaalsContact O-N 3.08Å; M493-F495 VanDerWaalsContact C-N 3.33Å; M493-F495 PolarHBondContact O-N 3.31Å; F495-L498 HydrophobicContact CD1-CD1 3.64Å; F495-L498 HydrophobicContact CE1-CD1 4.09Å; F495-L498 HydrophobicContact CG-CD1 4.48Å; F495-R518 HydrophobicContact CE1-CB 4.1Å; F495-R518 HydrophobicContact CE1-CG 3.94Å; F495-R518 HydrophobicContact CE2-CG 4.46Å; F495-R518 HydrophobicContact CZ-CB 4.13Å; F495-R518 HydrophobicContact CZ-CG 3.86Å; F495-V521 HydrophobicContact CE2-CB 4.39Å; F495-V521 HydrophobicContact CE2-CG1 3.82Å; F495-V521 HydrophobicContact CZ-CB 4.09Å; F495-V521 HydrophobicContact CZ-CG1 3.89Å; F495-I522 HydrophobicContact CE2-CG1 4.41Å
496	K	98.2	Very high	97.8	Very high	88 Å²	88	39.9 Å²	39.9	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-67.2	-42	170.1	178.9	-176.9	-176.6	174.9	0	111.2	Y492 M493 L498 T499	Y492-K496 HydrophobicContact CE1-CD 3.98Å; Y492-K496 HydrophobicContact CE2-CD 4.42Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.34Å; Y492-K496 PolarHBondContact OH-NZ 2.93Å; Y492-K496 VanDerWaalsContact OH-NZ 3.14Å; M493-K496 WeakPolarHBondContact O-CB 3.41Å; M493-K496 PolarHBondContact O-N 3.17Å; M493-K496 VanDerWaalsContact O-N 3.15Å; M493-K496 HydrophobicContact SD-CD 4.23Å; K496-L498 PolarHBondContact O-N 3.44Å; K496-T499 WeakPolarHBondContact O-CB 3.39Å; K496-T499 PolarHBondContact O-N 2.94Å; K496-T499 PolarHBondContact O-OG1 3.37Å
497	I	98.3	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-33.4	178	-67.7	165.9	0	0	0	111.6	Y402 R405 V406 M493 T499 E500 C503	Y402-I497 HydrophobicContact CD2-CG2 3.71Å; Y402-I497 HydrophobicContact CE2-CB 3.94Å; Y402-I497 HydrophobicContact CE2-CG2 3.56Å; R405-I497 HydrophobicContact CB-CG2 3.91Å; R405-I497 HydrophobicContact CG-CD1 4.48Å; R405-I497 HydrophobicContact CG-CG1 4.33Å; R405-I497 HydrophobicContact CG-CG2 3.5Å; V406-I497 HydrophobicContact CG2-CD1 3.97Å; V406-I497 HydrophobicContact CG2-CG2 4.4Å; M493-I497 HydrophobicContact CG-CD1 4.16Å; M493-I497 WeakPolarHBondContact O-CG1 3.31Å; M493-I497 PolarHBondContact O-N 3.16Å; I497-T499 PolarHBondContact O-N 3.26Å; I497-T499 VanDerWaalsContact O-N 3.11Å; I497-E500 WeakPolarHBondContact O-CB 3.31Å; I497-E500 PolarHBondContact O-N 3.06Å; I497-C503 WeakPolarHBondContact O-CB 3.44Å
498	L	97.8	Very high	97.4	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	172.7	-67.8	170.6	0	0	0	113.8	Y402 F452 F495 K496 D504 I505 F506	Y402-L498 HydrophobicContact CD2-CD2 3.66Å; Y402-L498 HydrophobicContact CD2-CG 4.27Å; Y402-L498 HydrophobicContact CE2-CB 4.45Å; Y402-L498 HydrophobicContact CE2-CD2 3.39Å; Y402-L498 HydrophobicContact CE2-CG 3.58Å; Y402-L498 HydrophobicContact CG-CD2 4.42Å; F452-L498 HydrophobicContact CZ-CD1 4.42Å; F495-L498 HydrophobicContact CD1-CD1 3.64Å; F495-L498 HydrophobicContact CE1-CD1 4.09Å; F495-L498 HydrophobicContact CG-CD1 4.48Å; K496-L498 PolarHBondContact O-N 3.44Å; L498-D504 WeakPolarHBondContact O-CB 3.43Å; L498-I505 HydrophobicContact CD2-CG1 3.59Å; L498-F506 HydrophobicContact CD1-CD2 3.66Å; L498-F506 HydrophobicContact CD1-CE2 3.81Å; L498-F506 HydrophobicContact CD2-CD2 4.14Å; L498-F506 HydrophobicContact CD2-CE2 4.32Å
499	T	97	Very high	97	Very high	116 Å²	116	45.2 Å²	45.2	71%	0.712	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8	175.4	73.5	0	0	0	0	113.2	K496 I497	K496-T499 WeakPolarHBondContact O-CB 3.39Å; K496-T499 PolarHBondContact O-N 2.94Å; K496-T499 PolarHBondContact O-OG1 3.37Å; I497-T499 PolarHBondContact O-N 3.26Å; I497-T499 VanDerWaalsContact O-N 3.11Å
500	E	97	Very high	96.6	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-70.5	156.9	172.6	-63.1	-173.8	-170.2	0	0	111.1	R405 I497 D502 C503	R405-E500 WeakPolarHBondContact CD-OE2 3.29Å; R405-E500 WeakPolarHBondContact CG-OE2 3.43Å; R405-E500 IonicContact CZ-OE1 3.7Å; R405-E500 IonicContact CZ-OE2 3.22Å; R405-E500 IonicContact NE-OE1 3.54Å; R405-E500 PolarHBondContact NE-OE1 3.5Å; R405-E500 IonicContact NE-OE2 3.68Å; R405-E500 PolarHBondContact NE-OE2 3.37Å; R405-E500 IonicContact NH2-OE1 2.82Å; R405-E500 PolarHBondContact NH2-OE1 2.77Å; R405-E500 IonicContact NH2-OE2 3.28Å; I497-E500 WeakPolarHBondContact O-CB 3.31Å; I497-E500 PolarHBondContact O-N 3.06Å; E500-D502 PolarHBondContact O-N 2.9Å; E500-C503 HydrophobicContact CB-CB 4.22Å; E500-C503 PolarHBondContact O-N 2.9Å
501	K	94.7	Very high	96.2	Very high	167 Å²	167	49.6 Å²	49.6	73%	0.726	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	129	-173.8	-167.1	-159.8	173.7	-114.1	0	111	C503	K501-C503 PolarHBondContact O-N 3Å
502	D	94.7	Very high	95.7	Very high	80 Å²	80	53 Å²	53	43%	0.428	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	24	177.8	-42.9	-39.8	0	0	0	114.1	R401 E500	R401-D502 WeakPolarHBondContact CD-O 3.39Å; R401-D502 PolarHBondContact NH1-O 2.93Å; E500-D502 PolarHBondContact O-N 2.9Å
503	C	97.1	Very high	95.4	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.034	29%	0.286	C	S	.	.			trans	-109.8	-3.5	179.1	-68.7	0	0	0	0	114.3	Y402 I497 E500 K501 I505	Y402-C503 HydrophobicContact CD2-CB 4.27Å; Y402-C503 VanDerWaalsContact CD2-O 3.24Å; Y402-C503 WeakPolarHBondContact CD2-O 3.21Å; I497-C503 WeakPolarHBondContact O-CB 3.44Å; E500-C503 HydrophobicContact CB-CB 4.22Å; E500-C503 PolarHBondContact O-N 2.9Å; K501-C503 PolarHBondContact O-N 3Å; C503-I505 PolarHBondContact O-N 3.46Å
504	D	97.7	Very high	95.2	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	30%	0.295	C	S	.	.			trans	-79.3	83.2	-175.7	-171.3	16.2	0	0	0	112.9	L498 F506 A507 R514	L498-D504 WeakPolarHBondContact O-CB 3.43Å; D504-F506 PolarHBondContact O-N 2.83Å; D504-F506 PolarHBondContact OD1-N 3.37Å; D504-A507 HydrophobicContact CB-CB 4.23Å; D504-A507 WeakPolarHBondContact O-CB 3.34Å; D504-A507 PolarHBondContact O-N 2.89Å; D504-A507 VanDerWaalsContact O-N 3.13Å; D504-A507 PolarHBondContact OD1-N 3.05Å; D504-A507 WeakPolarHBondContact OD2-CA 3.46Å; D504-A507 PolarHBondContact OD2-N 3.04Å; D504-R514 VanDerWaalsContact CG-NH1 3.26Å; D504-R514 VanDerWaalsContact CG-NH2 3.33Å; D504-R514 IonicContact OD1-CZ 3.81Å; D504-R514 VanDerWaalsContact OD1-CZ 3.27Å; D504-R514 IonicContact OD1-NH1 2.76Å; D504-R514 PolarHBondContact OD1-NH1 3.23Å; D504-R514 IonicContact OD1-NH2 3.56Å; D504-R514 PolarHBondContact OD1-NH2 2.91Å; D504-R514 IonicContact OD2-CZ 3.12Å; D504-R514 IonicContact OD2-NH1 2.66Å; D504-R514 PolarHBondContact OD2-NH1 3.29Å; D504-R514 IonicContact OD2-NH2 3.48Å; D504-R514 PolarHBondContact OD2-NH2 2.73Å
505	I	97.8	Very high	94.9	Very high	6 Å²	6	58 Å²	58	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.2	176.4	59.2	161.9	0	0	0	113.7	I394 V398 F399 Y402 F452 L498 C503	I394-I505 HydrophobicContact CG2-CB 3.81Å; I394-I505 HydrophobicContact CG2-CG2 4.1Å; V398-I505 HydrophobicContact CG1-CG2 3.98Å; F399-I505 HydrophobicContact CB-CG2 4.22Å; F399-I505 HydrophobicContact CD2-CB 4.4Å; F399-I505 HydrophobicContact CD2-CD1 4.15Å; F399-I505 HydrophobicContact CD2-CG2 3.93Å; F399-I505 HydrophobicContact CE2-CD1 4.2Å; Y402-I505 HydrophobicContact CD1-CD1 4.04Å; Y402-I505 HydrophobicContact CD1-CG1 4.42Å; Y402-I505 HydrophobicContact CD1-CG2 4.4Å; Y402-I505 HydrophobicContact CE1-CD1 4.29Å; Y402-I505 HydrophobicContact CG-CG1 4.43Å; Y402-I505 HydrophobicContact CG-CG2 4.03Å; F452-I505 HydrophobicContact CD2-CD1 3.96Å; F452-I505 HydrophobicContact CE2-CD1 3.76Å; L498-I505 HydrophobicContact CD2-CG1 3.59Å; C503-I505 PolarHBondContact O-N 3.46Å
506	F	96.9	Very high	94.6	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	12.9	179.8	-56.2	-37.4	0	0	0	113.1	L448 F452 L498 D504 N508 L509 R514 L517	L448-F506 HydrophobicContact CD1-CE1 4.43Å; L448-F506 HydrophobicContact CD2-CE1 4.12Å; F452-F506 HydrophobicContact CD1-CE2 4.45Å; F452-F506 HydrophobicContact CD1-CZ 4.25Å; F452-F506 HydrophobicContact CD2-CE2 4.25Å; F452-F506 AromaticContact CD2-CZ 3.61Å; F452-F506 HydrophobicContact CD2-CZ 3.61Å; F452-F506 HydrophobicContact CE1-CE2 4.09Å; F452-F506 HydrophobicContact CE1-CZ 4.29Å; F452-F506 AromaticContact CE2-CE2 3.86Å; F452-F506 HydrophobicContact CE2-CE2 3.86Å; F452-F506 AromaticContact CE2-CZ 3.65Å; F452-F506 HydrophobicContact CE2-CZ 3.65Å; F452-F506 AromaticContact CG-CZ 3.91Å; F452-F506 HydrophobicContact CG-CZ 3.91Å; F452-F506 AromaticContact CZ-CE2 3.77Å; F452-F506 HydrophobicContact CZ-CE2 3.77Å; F452-F506 AromaticContact CZ-CZ 4Å; F452-F506 HydrophobicContact CZ-CZ 4Å; L498-F506 HydrophobicContact CD1-CD2 3.66Å; L498-F506 HydrophobicContact CD1-CE2 3.81Å; L498-F506 HydrophobicContact CD2-CD2 4.14Å; L498-F506 HydrophobicContact CD2-CE2 4.32Å; D504-F506 PolarHBondContact O-N 2.83Å; D504-F506 PolarHBondContact OD1-N 3.37Å; F506-N508 PolarHBondContact O-N 3.48Å; F506-L509 HydrophobicContact CB-CB 4.43Å; F506-L509 HydrophobicContact CB-CD1 3.87Å; F506-L509 HydrophobicContact CB-CG 4.13Å; F506-L509 HydrophobicContact CD1-CD1 3.57Å; F506-L509 HydrophobicContact CD1-CG 4.3Å; F506-L509 HydrophobicContact CE1-CD1 4.4Å; F506-L509 HydrophobicContact CG-CD1 3.88Å; F506-L509 WeakPolarHBondContact O-CB 3.45Å; F506-L509 PolarHBondContact O-N 3.01Å; F506-R514 HydrophobicContact CB-CG 4.45Å; F506-R514 PolarHBondContact O-NH1 3.44Å; F506-L517 HydrophobicContact CD1-CD2 3.71Å; F506-L517 HydrophobicContact CD2-CD2 3.97Å; F506-L517 HydrophobicContact CE1-CD2 3.48Å; F506-L517 VanDerWaalsContact CE1-CD2 3.48Å; F506-L517 HydrophobicContact CE2-CD2 3.75Å; F506-L517 HydrophobicContact CG-CD2 3.97Å; F506-L517 HydrophobicContact CZ-CD2 3.5Å
507	A	95.3	Very high	94.5	Very high	63 Å²	63	52.5 Å²	52.5	52%	0.521	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.1	180	0	0	0	0	0	113.2	D504	D504-A507 HydrophobicContact CB-CB 4.23Å; D504-A507 WeakPolarHBondContact O-CB 3.34Å; D504-A507 PolarHBondContact O-N 2.89Å; D504-A507 VanDerWaalsContact O-N 3.13Å; D504-A507 PolarHBondContact OD1-N 3.05Å; D504-A507 WeakPolarHBondContact OD2-CA 3.46Å; D504-A507 PolarHBondContact OD2-N 3.04Å
508	N	95	Very high	94.4	Very high	115 Å²	115	58 Å²	58	62%	0.615	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	178.9	-67.6	-36.2	0	0	0	113.7	C393 F506 G510	C393-N508 HydrophobicContact CB-CB 4.03Å; C393-N508 PolarHBondContact O-ND2 3.31Å; F506-N508 PolarHBondContact O-N 3.48Å; N508-G510 PolarHBondContact O-N 3.33Å
509	L	88.9	Confident	94.2	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	32%	0.321	C	S	.	.	S	Bend	trans	-77	111.5	168.8	-59.6	-171.6	0	0	0	109.1	F392 L448 F506 K513 R514 L517	F392-L509 HydrophobicContact CB-CD2 3.99Å; F392-L509 HydrophobicContact CD1-CD2 3.44Å; F392-L509 VanDerWaalsContact CD1-CD2 3.44Å; F392-L509 HydrophobicContact CE1-CD2 4.31Å; F392-L509 HydrophobicContact CG-CD2 4.07Å; L448-L509 HydrophobicContact CD2-CD1 4.34Å; F506-L509 HydrophobicContact CB-CB 4.43Å; F506-L509 HydrophobicContact CB-CD1 3.87Å; F506-L509 HydrophobicContact CB-CG 4.13Å; F506-L509 HydrophobicContact CD1-CD1 3.57Å; F506-L509 HydrophobicContact CD1-CG 4.3Å; F506-L509 HydrophobicContact CE1-CD1 4.4Å; F506-L509 HydrophobicContact CG-CD1 3.88Å; F506-L509 WeakPolarHBondContact O-CB 3.45Å; F506-L509 PolarHBondContact O-N 3.01Å; L509-K513 HydrophobicContact CB-CB 4.48Å; L509-R514 HydrophobicContact CB-CB 4.1Å; L509-L517 HydrophobicContact CD1-CD2 3.51Å
510	G	90	Very high	94.2	Very high	47 Å²	47	54.2 Å²	54.2	49%	0.485	29%	0.287	S	S	.	.			trans	-52.5	148.7	172.8	0	0	0	0	0	111.8	N508 K512 K513 R514	N508-G510 PolarHBondContact O-N 3.33Å; G510-K512 PolarHBondContact O-N 3.38Å; G510-K513 PolarHBondContact O-N 2.97Å; G510-K513 VanDerWaalsContact O-N 3.07Å; G510-R514 PolarHBondContact O-N 2.85Å
511	G	90.7	Very high	94.3	Very high	60 Å²	60	51.1 Å²	51.1	62%	0.619	27%	0.272	S	S	*	.	H	α-helix	trans	-50	-38.4	-164.9	0	0	0	0	0	115.6	R514 Q515	G511-R514 PolarHBondContact O-N 3.37Å; G511-Q515 WeakPolarHBondContact O-CB 3.18Å; G511-Q515 PolarHBondContact O-N 3.25Å
512	K	88.6	Confident	94.5	Very high	81 Å²	81	45.4 Å²	45.4	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-58.9	177.2	-156.6	-175.6	161.4	174.7	0	111.4	E223 E227 G510 R514 Q515 T516	E223-K512 WeakPolarHBondContact O-CE 3.35Å; E223-K512 PolarHBondContact O-NZ 2.92Å; E227-K512 WeakPolarHBondContact OE2-CB 3.38Å; E227-K512 WeakPolarHBondContact OE2-CD 3.41Å; E227-K512 WeakPolarHBondContact OE2-CE 3.39Å; E227-K512 WeakPolarHBondContact OE2-CG 3.28Å; G510-K512 PolarHBondContact O-N 3.38Å; K512-R514 VanDerWaalsContact C-N 3.25Å; K512-R514 PolarHBondContact O-N 3.28Å; K512-R514 VanDerWaalsContact O-N 3.15Å; K512-Q515 WeakPolarHBondContact O-CA 3.47Å; K512-Q515 WeakPolarHBondContact O-CB 3.4Å; K512-Q515 PolarHBondContact O-N 3.08Å; K512-T516 PolarHBondContact O-N 3.37Å; K512-T516 PolarHBondContact O-OG1 2.96Å
513	K	91.8	Very high	94.6	Very high	50 Å²	50	44.1 Å²	44.1	22%	0.217	24%	0.24	C	C	.	.	H	α-helix	trans	-50	-40.4	171.7	-66.5	-165.7	177.8	-165.7	0	114.2	E227 M231 L509 G510 T516 L517	E227-K513 WeakPolarHBondContact OE1-CG 3.41Å; E227-K513 PolarHBondContact OE2-N 3.09Å; M231-K513 HydrophobicContact SD-CD 4.1Å; M231-K513 WeakPolarHBondContact SD-CE 3.41Å; M231-K513 HydrophobicContact SD-CG 4.5Å; L509-K513 HydrophobicContact CB-CB 4.48Å; G510-K513 PolarHBondContact O-N 2.97Å; G510-K513 VanDerWaalsContact O-N 3.07Å; K513-T516 WeakPolarHBondContact O-CB 3.32Å; K513-T516 PolarHBondContact O-N 3.29Å; K513-L517 WeakPolarHBondContact O-CB 3.5Å; K513-L517 PolarHBondContact O-N 3.3Å
514	R	94.5	Very high	94.7	Very high	80 Å²	80	43.9 Å²	43.9	30%	0.302	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-39.4	178.8	-169.8	-178.5	-177.6	121.6	1.8	111.8	D504 F506 L509 G510 G511 K512 R518	D504-R514 VanDerWaalsContact CG-NH1 3.26Å; D504-R514 VanDerWaalsContact CG-NH2 3.33Å; D504-R514 IonicContact OD1-CZ 3.81Å; D504-R514 VanDerWaalsContact OD1-CZ 3.27Å; D504-R514 IonicContact OD1-NH1 2.76Å; D504-R514 PolarHBondContact OD1-NH1 3.23Å; D504-R514 IonicContact OD1-NH2 3.56Å; D504-R514 PolarHBondContact OD1-NH2 2.91Å; D504-R514 IonicContact OD2-CZ 3.12Å; D504-R514 IonicContact OD2-NH1 2.66Å; D504-R514 PolarHBondContact OD2-NH1 3.29Å; D504-R514 IonicContact OD2-NH2 3.48Å; D504-R514 PolarHBondContact OD2-NH2 2.73Å; F506-R514 HydrophobicContact CB-CG 4.45Å; F506-R514 PolarHBondContact O-NH1 3.44Å; L509-R514 HydrophobicContact CB-CB 4.1Å; G510-R514 PolarHBondContact O-N 2.85Å; G511-R514 PolarHBondContact O-N 3.37Å; K512-R514 VanDerWaalsContact C-N 3.25Å; K512-R514 PolarHBondContact O-N 3.28Å; K512-R514 VanDerWaalsContact O-N 3.15Å; R514-R518 WeakPolarHBondContact O-CB 3.27Å; R514-R518 PolarHBondContact O-N 3.22Å
515	Q	91.9	Very high	94.7	Very high	101 Å²	101	41.7 Å²	41.7	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-45	172.8	-177	177.6	-9.4	0	0	111.2	G511 K512 R518 R519	G511-Q515 WeakPolarHBondContact O-CB 3.18Å; G511-Q515 PolarHBondContact O-N 3.25Å; K512-Q515 WeakPolarHBondContact O-CA 3.47Å; K512-Q515 WeakPolarHBondContact O-CB 3.4Å; K512-Q515 PolarHBondContact O-N 3.08Å; Q515-R518 PolarHBondContact O-N 3.1Å; Q515-R519 PolarHBondContact O-N 3.19Å
516	T	92	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-53.5	-53.7	174.3	-50.5	0	0	0	0	111.7	T224 I228 L445 K512 K513 R518 R519 M520	T224-T516 HydrophobicContact CG2-CG2 3.61Å; I228-T516 HydrophobicContact CD1-CG2 3.56Å; I228-T516 HydrophobicContact CG1-CG2 3.39Å; L445-T516 HydrophobicContact CD2-CG2 3.58Å; K512-T516 PolarHBondContact O-N 3.37Å; K512-T516 PolarHBondContact O-OG1 2.96Å; K513-T516 WeakPolarHBondContact O-CB 3.32Å; K513-T516 PolarHBondContact O-N 3.29Å; T516-R518 PolarHBondContact O-N 2.89Å; T516-R519 PolarHBondContact O-N 3.12Å; T516-M520 HydrophobicContact CG2-CE 4.05Å; T516-M520 PolarHBondContact O-N 3.12Å; T516-M520 VanDerWaalsContact O-N 3.12Å
517	L	96	Very high	94.8	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-46.9	177.8	-176.8	69.4	0	0	0	111.5	L445 L448 A449 F506 L509 K513 R519 M520 V521	L445-L517 HydrophobicContact CD1-CB 4.27Å; L445-L517 HydrophobicContact CD1-CD1 4.22Å; L445-L517 HydrophobicContact CG-CD1 4.42Å; L448-L517 HydrophobicContact CB-CD1 4.38Å; L448-L517 HydrophobicContact CD2-CD1 4.06Å; L448-L517 HydrophobicContact CD2-CD2 3.87Å; L448-L517 HydrophobicContact CG-CD1 4Å; L448-L517 HydrophobicContact CG-CD2 4.39Å; A449-L517 HydrophobicContact CB-CD1 3.73Å; F506-L517 HydrophobicContact CD1-CD2 3.71Å; F506-L517 HydrophobicContact CD2-CD2 3.97Å; F506-L517 HydrophobicContact CE1-CD2 3.48Å; F506-L517 VanDerWaalsContact CE1-CD2 3.48Å; F506-L517 HydrophobicContact CE2-CD2 3.75Å; F506-L517 HydrophobicContact CG-CD2 3.97Å; F506-L517 HydrophobicContact CZ-CD2 3.5Å; L509-L517 HydrophobicContact CD1-CD2 3.51Å; K513-L517 WeakPolarHBondContact O-CB 3.5Å; K513-L517 PolarHBondContact O-N 3.3Å; L517-R519 VanDerWaalsContact C-N 3.3Å; L517-R519 PolarHBondContact O-N 3.47Å; L517-M520 PolarHBondContact O-N 3.39Å; L517-V521 HydrophobicContact CD1-CG2 4.3Å; L517-V521 HydrophobicContact CG-CG2 4.34Å; L517-V521 VanDerWaalsContact O-CG2 3.29Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.44Å
518	R	96.7	Very high	95	Very high	116 Å²	116	41.3 Å²	41.3	44%	0.438	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-40.8	178.7	175.6	172.7	174.9	76.7	1.3	111.9	F495 R514 Q515 T516 I522	F495-R518 HydrophobicContact CE1-CB 4.1Å; F495-R518 HydrophobicContact CE1-CG 3.94Å; F495-R518 HydrophobicContact CE2-CG 4.46Å; F495-R518 HydrophobicContact CZ-CB 4.13Å; F495-R518 HydrophobicContact CZ-CG 3.86Å; R514-R518 WeakPolarHBondContact O-CB 3.27Å; R514-R518 PolarHBondContact O-N 3.22Å; Q515-R518 PolarHBondContact O-N 3.1Å; T516-R518 PolarHBondContact O-N 2.89Å; R518-I522 HydrophobicContact CG-CD1 3.8Å; R518-I522 WeakPolarHBondContact O-CD1 3.28Å; R518-I522 VanDerWaalsContact O-CG1 3.24Å; R518-I522 WeakPolarHBondContact O-CG1 3.13Å; R518-I522 PolarHBondContact O-N 3.46Å; R518-I522 VanDerWaalsContact O-N 3.12Å
519	R	94.7	Very high	95.1	Very high	42 Å²	42	36.3 Å²	36.3	16%	0.158	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-52.5	177.6	-163.6	-166.1	64.5	-163.4	-9.4	110.6	D221 T224 N225 Q515 T516 L517 V521 I522 E523 Y560	D221-R519 PolarHBondContact O-NH1 3Å; D221-R519 VanDerWaalsContact OD1-CD 3.24Å; D221-R519 WeakPolarHBondContact OD1-CD 3.24Å; D221-R519 IonicContact OD1-CZ 3.87Å; D221-R519 IonicContact OD1-NE 3.93Å; D221-R519 IonicContact OD1-NH1 4Å; D221-R519 PolarHBondContact OD1-NH1 2.63Å; T224-R519 VanDerWaalsContact CG2-CZ 3.47Å; N225-R519 PolarHBondContact OD1-NH1 3.4Å; N225-R519 VanDerWaalsContact OD1-NH1 3.1Å; N225-R519 PolarHBondContact OD1-NH2 3.35Å; Q515-R519 PolarHBondContact O-N 3.19Å; T516-R519 PolarHBondContact O-N 3.12Å; L517-R519 VanDerWaalsContact C-N 3.3Å; L517-R519 PolarHBondContact O-N 3.47Å; R519-V521 PolarHBondContact O-N 3.07Å; R519-I522 PolarHBondContact O-N 3.01Å; R519-E523 WeakPolarHBondContact CG-OE1 3.47Å; R519-E523 IonicContact NE-OE1 2.65Å; R519-E523 PolarHBondContact NE-OE1 2.91Å; R519-E523 VanDerWaalsContact NE-OE1 3.17Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 2.86Å; R519-Y560 PolarHBondContact NE-OH 3.47Å; R519-Y560 VanDerWaalsContact NH2-CE2 3.32Å; R519-Y560 PolarHBondContact NH2-OH 3.22Å; R519-Y560 VanDerWaalsContact NH2-OH 3.08Å
520	M	97	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-48.5	177.2	-72.2	-174.8	-63.7	0	0	112.4	I228 L445 E446 A449 T516 L517 I522 E523 L524 Y560 I564	I228-M520 HydrophobicContact CD1-CE 4.37Å; I228-M520 HydrophobicContact CD1-SD 3.81Å; L445-M520 HydrophobicContact CB-CE 4.38Å; L445-M520 HydrophobicContact CD2-CE 3.95Å; L445-M520 HydrophobicContact CG-CE 3.79Å; E446-M520 HydrophobicContact CB-SD 4.44Å; E446-M520 HydrophobicContact CG-CE 4.42Å; E446-M520 HydrophobicContact CG-SD 3.57Å; E446-M520 VanDerWaalsContact CG-SD 3.57Å; A449-M520 HydrophobicContact CB-CB 3.78Å; A449-M520 HydrophobicContact CB-CE 4Å; A449-M520 HydrophobicContact CB-SD 4.37Å; T516-M520 HydrophobicContact CG2-CE 4.05Å; T516-M520 PolarHBondContact O-N 3.12Å; T516-M520 VanDerWaalsContact O-N 3.12Å; L517-M520 PolarHBondContact O-N 3.39Å; M520-I522 VanDerWaalsContact C-N 3.3Å; M520-I522 PolarHBondContact O-N 3.1Å; M520-E523 PolarHBondContact O-N 2.62Å; M520-E523 VanDerWaalsContact O-N 3.14Å; M520-L524 WeakPolarHBondContact O-CB 3.36Å; M520-L524 WeakPolarHBondContact O-CD1 3.24Å; M520-L524 WeakPolarHBondContact O-CG 3.41Å; M520-L524 PolarHBondContact O-N 3.03Å; M520-Y560 HydrophobicContact CG-CE2 3.79Å; M520-Y560 VanDerWaalsContact CG-OH 3.25Å; M520-Y560 WeakPolarHBondContact CG-OH 3.2Å; M520-Y560 HydrophobicContact SD-CE2 3.96Å; M520-I564 HydrophobicContact CB-CD1 4.29Å; M520-I564 HydrophobicContact CG-CD1 4.18Å
521	V	98.6	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-37.9	-179.8	171.9	0	0	0	0	112	A449 F452 A453 I456 L491 F495 L517 R519 L524 V525	A449-V521 HydrophobicContact CB-CG2 4.13Å; F452-V521 HydrophobicContact CD1-CB 4.4Å; F452-V521 HydrophobicContact CD1-CG1 3.76Å; F452-V521 HydrophobicContact CD1-CG2 3.72Å; F452-V521 HydrophobicContact CE1-CG1 3.92Å; F452-V521 HydrophobicContact CE1-CG2 4.42Å; A453-V521 HydrophobicContact CB-CG1 4.38Å; I456-V521 HydrophobicContact CD1-CG1 3.91Å; L491-V521 HydrophobicContact CD2-CG1 4Å; F495-V521 HydrophobicContact CE2-CB 4.39Å; F495-V521 HydrophobicContact CE2-CG1 3.82Å; F495-V521 HydrophobicContact CZ-CB 4.09Å; F495-V521 HydrophobicContact CZ-CG1 3.89Å; L517-V521 HydrophobicContact CD1-CG2 4.3Å; L517-V521 HydrophobicContact CG-CG2 4.34Å; L517-V521 VanDerWaalsContact O-CG2 3.29Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.44Å; R519-V521 PolarHBondContact O-N 3.07Å; V521-L524 PolarHBondContact O-N 3.12Å; V521-V525 HydrophobicContact CG1-CG2 4.46Å; V521-V525 PolarHBondContact O-N 3.07Å
522	I	98.3	Very high	95.8	Very high	47 Å²	47	42.5 Å²	42.5	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-45.8	174	-69.4	165.3	0	0	0	110.8	L491 F495 R518 R519 M520 L524 L526	L491-I522 HydrophobicContact CD1-CB 4.28Å; L491-I522 HydrophobicContact CD1-CG1 4.18Å; L491-I522 HydrophobicContact CD1-CG2 4.14Å; L491-I522 HydrophobicContact CD2-CG1 4Å; F495-I522 HydrophobicContact CE2-CG1 4.41Å; R518-I522 HydrophobicContact CG-CD1 3.8Å; R518-I522 WeakPolarHBondContact O-CD1 3.28Å; R518-I522 VanDerWaalsContact O-CG1 3.24Å; R518-I522 WeakPolarHBondContact O-CG1 3.13Å; R518-I522 PolarHBondContact O-N 3.46Å; R518-I522 VanDerWaalsContact O-N 3.12Å; R519-I522 PolarHBondContact O-N 3.01Å; M520-I522 VanDerWaalsContact C-N 3.3Å; M520-I522 PolarHBondContact O-N 3.1Å; I522-L524 PolarHBondContact O-N 3.45Å; I522-L526 HydrophobicContact CG2-CD1 3.73Å; I522-L526 HydrophobicContact CG2-CG 4.34Å; I522-L526 WeakPolarHBondContact O-CB 3.34Å; I522-L526 VanDerWaalsContact O-CG 3.27Å; I522-L526 WeakPolarHBondContact O-CG 3.32Å; I522-L526 PolarHBondContact O-N 2.62Å; I522-L526 VanDerWaalsContact O-N 3.08Å
523	E	97.4	Very high	96.1	Very high	53 Å²	53	39.1 Å²	39.1	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-32	176.8	-69.4	176.8	-103.4	0	0	112.5	R519 M520 Y560 I564 Q568	R519-E523 WeakPolarHBondContact CG-OE1 3.47Å; R519-E523 IonicContact NE-OE1 2.65Å; R519-E523 PolarHBondContact NE-OE1 2.91Å; R519-E523 VanDerWaalsContact NE-OE1 3.17Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 2.86Å; M520-E523 PolarHBondContact O-N 2.62Å; M520-E523 VanDerWaalsContact O-N 3.14Å; E523-Y560 PolarHBondContact OE1-OH 3Å; E523-I564 HydrophobicContact CB-CD1 4.42Å; E523-I564 HydrophobicContact CB-CG1 4.19Å; E523-Q568 PolarHBondContact O-NE2 3.31Å
524	L	98.7	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-80.3	-47.6	-178.5	-68.5	165	0	0	0	113.2	A449 V450 A453 M520 V521 I522 A527 I564 L567 Q568 I571	A449-L524 HydrophobicContact CB-CD1 3.98Å; V450-L524 HydrophobicContact CB-CD1 4.2Å; A453-L524 HydrophobicContact CB-CB 3.81Å; A453-L524 HydrophobicContact CB-CD1 4.25Å; M520-L524 WeakPolarHBondContact O-CB 3.36Å; M520-L524 WeakPolarHBondContact O-CD1 3.24Å; M520-L524 WeakPolarHBondContact O-CG 3.41Å; M520-L524 PolarHBondContact O-N 3.03Å; V521-L524 PolarHBondContact O-N 3.12Å; I522-L524 PolarHBondContact O-N 3.45Å; L524-A527 WeakPolarHBondContact O-CB 3.48Å; L524-A527 PolarHBondContact O-N 3.42Å; L524-A527 VanDerWaalsContact O-N 3.17Å; L524-I564 HydrophobicContact CD1-CD1 4.42Å; L524-I564 HydrophobicContact CD2-CD1 4.06Å; L524-I564 HydrophobicContact CG-CD1 4.06Å; L524-L567 HydrophobicContact CD2-CB 3.56Å; L524-L567 WeakPolarHBondContact CD2-O 3.45Å; L524-Q568 HydrophobicContact CD2-CG 3.96Å; L524-I571 HydrophobicContact CD2-CG2 4.29Å
525	V	98.8	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.1	-34.2	178.6	179.2	0	0	0	0	111.3	A453 I456 H457 E487 H490 L491 V521 A527 T528	A453-V525 HydrophobicContact CB-CG2 3.92Å; I456-V525 HydrophobicContact CD1-CG2 4.12Å; I456-V525 HydrophobicContact CG1-CG2 4.19Å; H457-V525 HydrophobicContact CB-CG1 4.32Å; H457-V525 HydrophobicContact CB-CG2 4.35Å; E487-V525 HydrophobicContact CB-CG1 4.48Å; H490-V525 HydrophobicContact CB-CG1 4.41Å; L491-V525 HydrophobicContact CD1-CB 4.08Å; L491-V525 HydrophobicContact CD1-CG1 4.32Å; L491-V525 HydrophobicContact CD2-CB 3.83Å; L491-V525 HydrophobicContact CD2-CG1 4.37Å; L491-V525 HydrophobicContact CD2-CG2 3.92Å; L491-V525 HydrophobicContact CG-CB 3.81Å; L491-V525 HydrophobicContact CG-CG1 3.88Å; L491-V525 HydrophobicContact CG-CG2 4.35Å; V521-V525 HydrophobicContact CG1-CG2 4.46Å; V521-V525 PolarHBondContact O-N 3.07Å; V525-A527 PolarHBondContact O-N 3.38Å; V525-A527 VanDerWaalsContact O-N 3.16Å; V525-T528 PolarHBondContact O-N 2.98Å; V525-T528 VanDerWaalsContact O-N 3.16Å; V525-T528 PolarHBondContact O-OG1 3.31Å
526	L	98.5	Very high	96.1	Very high	52 Å²	52	37.8 Å²	37.8	27%	0.272	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.1	172.9	-67.8	178.6	0	0	0	113.7	E487 L491 I522	E487-L526 HydrophobicContact CB-CD2 4Å; L491-L526 HydrophobicContact CD1-CD2 4.07Å; L491-L526 HydrophobicContact CD1-CG 3.89Å; I522-L526 HydrophobicContact CG2-CD1 3.73Å; I522-L526 HydrophobicContact CG2-CG 4.34Å; I522-L526 WeakPolarHBondContact O-CB 3.34Å; I522-L526 VanDerWaalsContact O-CG 3.27Å; I522-L526 WeakPolarHBondContact O-CG 3.32Å; I522-L526 PolarHBondContact O-N 2.62Å; I522-L526 VanDerWaalsContact O-N 3.08Å
527	A	98.2	Very high	96.2	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.041	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.7	173.8	0	0	0	0	0	112.9	L524 V525 D529 L536 Q568 H572	L524-A527 WeakPolarHBondContact O-CB 3.48Å; L524-A527 PolarHBondContact O-N 3.42Å; L524-A527 VanDerWaalsContact O-N 3.17Å; V525-A527 PolarHBondContact O-N 3.38Å; V525-A527 VanDerWaalsContact O-N 3.16Å; A527-D529 PolarHBondContact O-N 3.49Å; A527-L536 HydrophobicContact CB-CD1 4.12Å; A527-L536 HydrophobicContact CB-CD2 4.26Å; A527-L536 VanDerWaalsContact O-CD1 3.31Å; A527-L536 WeakPolarHBondContact O-CD1 3.39Å; A527-Q568 HydrophobicContact CB-CB 3.81Å; A527-Q568 HydrophobicContact CB-CG 3.78Å; A527-H572 PolarHBondContact O-ND1 3.38Å
528	T	98.5	Very high	95.9	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.043	21%	0.214	C	C	.	.			trans	-75.5	-6	176.7	67.1	0	0	0	0	113.1	H457 V525 M530 I571	H457-T528 HydrophobicContact CB-CG2 4.37Å; V525-T528 PolarHBondContact O-N 2.98Å; V525-T528 VanDerWaalsContact O-N 3.16Å; V525-T528 PolarHBondContact O-OG1 3.31Å; T528-M530 WeakPolarHBondContact O-CE 3.33Å; T528-M530 PolarHBondContact O-N 3.28Å; T528-I571 HydrophobicContact CG2-CD1 4.18Å; T528-I571 HydrophobicContact CG2-CG1 4.04Å; T528-I571 HydrophobicContact CG2-CG2 4.29Å
529	D	98.2	Very high	95.5	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.053	21%	0.207	C	C	.	.			trans	-61.8	110.5	168.4	177.4	-19.4	0	0	0	109.7	S484 E487 A527 S531 K532	S484-D529 VanDerWaalsContact CB-OD2 3.26Å; S484-D529 WeakPolarHBondContact CB-OD2 3.35Å; S484-D529 PolarHBondContact OG-OD2 2.92Å; E487-D529 HydrophobicContact CG-CB 3.81Å; E487-D529 WeakPolarHBondContact OE1-CA 3.18Å; E487-D529 WeakPolarHBondContact OE1-CB 3.4Å; A527-D529 PolarHBondContact O-N 3.49Å; D529-S531 PolarHBondContact O-N 3.13Å; D529-S531 WeakPolarHBondContact OD1-CB 3.36Å; D529-S531 PolarHBondContact OD1-N 3.29Å; D529-S531 PolarHBondContact OD1-OG 3.31Å; D529-S531 PolarHBondContact OD2-OG 2.81Å; D529-S531 VanDerWaalsContact OD2-OG 3.06Å; D529-K532 HydrophobicContact CB-CG 3.97Å; D529-K532 VanDerWaalsContact CG-NZ 3.35Å; D529-K532 VanDerWaalsContact O-CB 3.25Å; D529-K532 WeakPolarHBondContact O-CB 3.31Å; D529-K532 WeakPolarHBondContact O-CG 3.27Å; D529-K532 PolarHBondContact O-N 2.82Å; D529-K532 IonicContact OD1-NZ 2.8Å; D529-K532 IonicContact OD2-NZ 3.74Å; D529-K532 PolarHBondContact OD2-NZ 2.91Å
530	M	95.5	Very high	95.2	Very high	84 Å²	84	35.6 Å²	35.6	41%	0.414	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-56.3	-20.5	-176.7	-67.2	-66.1	139	0	0	114.2	T528 K532 H533 H572 D575 L576	T528-M530 WeakPolarHBondContact O-CE 3.33Å; T528-M530 PolarHBondContact O-N 3.28Å; M530-K532 PolarHBondContact O-N 3.16Å; M530-H533 WeakPolarHBondContact O-CB 3.34Å; M530-H533 PolarHBondContact O-N 3.35Å; M530-H572 VanDerWaalsContact CE-CE1 3.49Å; M530-H572 WeakPolarHBondContact CE-CE1 3.2Å; M530-D575 WeakPolarHBondContact CE-OD2 3.25Å; M530-L576 HydrophobicContact CE-CD1 4.32Å; M530-L576 HydrophobicContact CE-CD2 3.65Å; M530-L576 HydrophobicContact CE-CG 3.95Å; M530-L576 HydrophobicContact SD-CD1 4Å; M530-L576 HydrophobicContact SD-CD2 3.84Å; M530-L576 HydrophobicContact SD-CG 4.23Å
531	S	94.3	Very high	94.8	Very high	89 Å²	89	40.5 Å²	40.5	62%	0.622	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-66.6	-15.7	171.1	72.7	0	0	0	0	114	D529	D529-S531 PolarHBondContact O-N 3.13Å; D529-S531 WeakPolarHBondContact OD1-CB 3.36Å; D529-S531 PolarHBondContact OD1-N 3.29Å; D529-S531 PolarHBondContact OD1-OG 3.31Å; D529-S531 PolarHBondContact OD2-OG 2.81Å; D529-S531 VanDerWaalsContact OD2-OG 3.06Å
532	K	93.1	Very high	94.1	Very high	74 Å²	74	44.3 Å²	44.3	32%	0.322	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-91.7	-13.8	179	-52	-58.3	-178.4	-65.3	0	113.6	S484 D529 M530 M534 S535 L536	S484-K532 PolarHBondContact OG-NZ 3.45Å; S484-K532 VanDerWaalsContact OG-NZ 3.12Å; D529-K532 HydrophobicContact CB-CG 3.97Å; D529-K532 VanDerWaalsContact CG-NZ 3.35Å; D529-K532 VanDerWaalsContact O-CB 3.25Å; D529-K532 WeakPolarHBondContact O-CB 3.31Å; D529-K532 WeakPolarHBondContact O-CG 3.27Å; D529-K532 PolarHBondContact O-N 2.82Å; D529-K532 IonicContact OD1-NZ 2.8Å; D529-K532 IonicContact OD2-NZ 3.74Å; D529-K532 PolarHBondContact OD2-NZ 2.91Å; M530-K532 PolarHBondContact O-N 3.16Å; K532-M534 VanDerWaalsContact C-N 3.29Å; K532-M534 PolarHBondContact O-N 2.84Å; K532-M534 VanDerWaalsContact O-N 3.11Å; K532-S535 WeakPolarHBondContact O-CA 3.33Å; K532-S535 WeakPolarHBondContact O-CB 3.29Å; K532-S535 PolarHBondContact O-N 2.97Å; K532-L536 HydrophobicContact CB-CD1 4.49Å; K532-L536 PolarHBondContact O-N 3Å; K532-L536 VanDerWaalsContact O-N 3.14Å
533	H	95.7	Very high	93.4	Very high	10 Å²	10	43 Å²	43	5%	0.046	24%	0.235	C	C	.	.	H	α-helix	trans	-46.5	-45.7	-174.7	169.5	70.1	0	0	0	114	M530 S535 L536 L537 H572	M530-H533 WeakPolarHBondContact O-CB 3.34Å; M530-H533 PolarHBondContact O-N 3.35Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 3.36Å; H533-L536 PolarHBondContact O-N 3.33Å; H533-L537 WeakPolarHBondContact O-CB 3.42Å; H533-L537 PolarHBondContact O-N 2.9Å; H533-H572 AromaticContact CG-NE2 3.95Å; H533-H572 AromaticContact ND1-CD2 3.91Å; H533-H572 AromaticContact ND1-NE2 3.32Å; H533-H572 PolarHBondContact ND1-NE2 3.21Å
534	M	92.7	Very high	92.7	Very high	126 Å²	126	40.7 Å²	40.7	62%	0.621	22%	0.224	S	C	*	.	H	α-helix	trans	-70.4	-21.7	-179.9	-67.3	-64.8	170.8	0	0	114.1	K532 A538	K532-M534 VanDerWaalsContact C-N 3.29Å; K532-M534 PolarHBondContact O-N 2.84Å; K532-M534 VanDerWaalsContact O-N 3.11Å; M534-A538 WeakPolarHBondContact O-CB 3.44Å; M534-A538 PolarHBondContact O-N 3.39Å
535	S	92.2	Very high	91.8	Very high	68 Å²	68	46.7 Å²	46.7	48%	0.476	25%	0.252	S	S	.	.	H	α-helix	trans	-74.5	-53.1	169.7	-163.4	0	0	0	0	109.6	K532 H533 L537 A538 D539	K532-S535 WeakPolarHBondContact O-CA 3.33Å; K532-S535 WeakPolarHBondContact O-CB 3.29Å; K532-S535 PolarHBondContact O-N 2.97Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 3.36Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 2.81Å; S535-A538 WeakPolarHBondContact O-CA 3.24Å; S535-A538 WeakPolarHBondContact O-CB 3.4Å; S535-A538 PolarHBondContact O-N 3.12Å; S535-D539 VanDerWaalsContact O-CG 3.25Å; S535-D539 PolarHBondContact O-N 3.3Å; S535-D539 VanDerWaalsContact O-OD2 3.07Å; S535-D539 PolarHBondContact OG-OD2 3.45Å
536	L	94.1	Very high	90.6	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-55.1	-45.1	-179.2	-65.9	173.4	0	0	0	111.9	A527 K532 H533 A538 D539 L540 Q568 N569 H572	A527-L536 HydrophobicContact CB-CD1 4.12Å; A527-L536 HydrophobicContact CB-CD2 4.26Å; A527-L536 VanDerWaalsContact O-CD1 3.31Å; A527-L536 WeakPolarHBondContact O-CD1 3.39Å; K532-L536 HydrophobicContact CB-CD1 4.49Å; K532-L536 PolarHBondContact O-N 3Å; K532-L536 VanDerWaalsContact O-N 3.14Å; H533-L536 PolarHBondContact O-N 3.33Å; L536-A538 PolarHBondContact O-N 2.8Å; L536-D539 PolarHBondContact O-N 3.42Å; L536-L540 VanDerWaalsContact O-CB 3.29Å; L536-L540 WeakPolarHBondContact O-CB 3.45Å; L536-L540 PolarHBondContact O-N 2.95Å; L536-Q568 HydrophobicContact CD2-CB 3.89Å; L536-N569 PolarHBondContact O-ND2 2.77Å; L536-N569 PolarHBondContact O-OD1 3.27Å; L536-H572 HydrophobicContact CD1-CB 3.98Å
537	L	93	Very high	89.3	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-37.5	176.2	-179.2	59.2	0	0	0	112.9	H533 S535 R541 P636 T640	H533-L537 WeakPolarHBondContact O-CB 3.42Å; H533-L537 PolarHBondContact O-N 2.9Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 2.81Å; L537-R541 HydrophobicContact CD1-CG 4.4Å; L537-R541 WeakPolarHBondContact O-CB 3.42Å; L537-R541 VanDerWaalsContact O-CG 3.28Å; L537-R541 WeakPolarHBondContact O-CG 3.4Å; L537-R541 PolarHBondContact O-N 3.43Å; L537-P636 WeakPolarHBondContact CD1-O 3.33Å; L537-P636 HydrophobicContact CD2-CB 3.98Å; L537-T640 HydrophobicContact CD1-CG2 4.48Å; L537-T640 WeakPolarHBondContact CD1-OG1 3.46Å
538	A	89.6	Confident	87.8	Confident	48 Å²	48	55.2 Å²	55.2	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-70.5	-40.7	176.9	0	0	0	0	0	111.8	M534 S535 L536 R541 T542	M534-A538 WeakPolarHBondContact O-CB 3.44Å; M534-A538 PolarHBondContact O-N 3.39Å; S535-A538 WeakPolarHBondContact O-CA 3.24Å; S535-A538 WeakPolarHBondContact O-CB 3.4Å; S535-A538 PolarHBondContact O-N 3.12Å; L536-A538 PolarHBondContact O-N 2.8Å; A538-R541 PolarHBondContact O-N 2.89Å; A538-T542 WeakPolarHBondContact O-CB 3.4Å; A538-T542 PolarHBondContact O-N 3Å; A538-T542 PolarHBondContact O-OG1 3.07Å
539	D	87.7	Confident	85.9	Confident	54 Å²	54	61 Å²	61	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-45.5	175.9	-61	-37.7	0	0	0	110.1	S535 L536 T542 M543	S535-D539 VanDerWaalsContact O-CG 3.25Å; S535-D539 PolarHBondContact O-N 3.3Å; S535-D539 VanDerWaalsContact O-OD2 3.07Å; S535-D539 PolarHBondContact OG-OD2 3.45Å; L536-D539 PolarHBondContact O-N 3.42Å; D539-T542 PolarHBondContact O-N 3.22Å; D539-M543 PolarHBondContact O-N 3.42Å
540	L	88.8	Confident	84	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.3	-167.9	66.7	0	0	0	112.5	L536 M543 V544 N569 L637 T640 W641 L644	L536-L540 VanDerWaalsContact O-CB 3.29Å; L536-L540 WeakPolarHBondContact O-CB 3.45Å; L536-L540 PolarHBondContact O-N 2.95Å; L540-M543 WeakPolarHBondContact O-CB 3.35Å; L540-M543 PolarHBondContact O-N 3.09Å; L540-V544 WeakPolarHBondContact O-CG2 3.16Å; L540-V544 PolarHBondContact O-N 3.02Å; L540-N569 HydrophobicContact CD1-CB 3.91Å; L540-N569 HydrophobicContact CD2-CB 4.27Å; L540-L637 HydrophobicContact CD2-CD1 4.4Å; L540-T640 HydrophobicContact CB-CG2 4.07Å; L540-T640 HydrophobicContact CD2-CG2 3.78Å; L540-T640 HydrophobicContact CG-CG2 3.65Å; L540-W641 HydrophobicContact CD1-CE3 4.46Å; L540-W641 HydrophobicContact CD2-CB 4.4Å; L540-L644 HydrophobicContact CD1-CD2 3.79Å
541	R	88.7	Confident	82.2	Confident	102 Å²	102	63.6 Å²	63.6	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-45	175.9	-78.7	179.1	174.2	-167.8	-6.8	111.9	L537 A538 M543 V544 E545 T640	L537-R541 HydrophobicContact CD1-CG 4.4Å; L537-R541 WeakPolarHBondContact O-CB 3.42Å; L537-R541 VanDerWaalsContact O-CG 3.28Å; L537-R541 WeakPolarHBondContact O-CG 3.4Å; L537-R541 PolarHBondContact O-N 3.43Å; A538-R541 PolarHBondContact O-N 2.89Å; R541-M543 PolarHBondContact O-N 3.26Å; R541-V544 PolarHBondContact O-N 3.42Å; R541-E545 WeakPolarHBondContact O-CG 3.47Å; R541-E545 PolarHBondContact O-N 2.94Å; R541-T640 HydrophobicContact CB-CG2 4.21Å; R541-T640 HydrophobicContact CG-CG2 3.4Å; R541-T640 VanDerWaalsContact CG-CG2 3.4Å; R541-T640 PolarHBondContact NE-OG1 3.18Å
542	T	84.3	Confident	80.4	Confident	80 Å²	80	63.4 Å²	63.4	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-38.6	176.8	-54.9	0	0	0	0	111.5	A538 D539 T546	A538-T542 WeakPolarHBondContact O-CB 3.4Å; A538-T542 PolarHBondContact O-N 3Å; A538-T542 PolarHBondContact O-OG1 3.07Å; D539-T542 PolarHBondContact O-N 3.22Å; T542-T546 WeakPolarHBondContact O-CB 3.28Å; T542-T546 PolarHBondContact O-N 3.41Å; T542-T546 PolarHBondContact O-OG1 3.11Å
543	M	82.5	Confident	78.7	Confident	20 Å²	20	62.5 Å²	62.5	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-69.4	-42.4	177.1	-166.5	179.7	-66.4	0	0	112.7	D539 L540 R541 T546 K547 L557 D562 Q565 I566 L644	D539-M543 PolarHBondContact O-N 3.42Å; L540-M543 WeakPolarHBondContact O-CB 3.35Å; L540-M543 PolarHBondContact O-N 3.09Å; R541-M543 PolarHBondContact O-N 3.26Å; M543-T546 PolarHBondContact O-N 3.3Å; M543-K547 WeakPolarHBondContact O-CB 3.36Å; M543-K547 PolarHBondContact O-N 3.05Å; M543-L557 HydrophobicContact SD-CD2 3.93Å; M543-D562 HydrophobicContact CE-CB 4.2Å; M543-D562 WeakPolarHBondContact CE-O 3.11Å; M543-Q565 HydrophobicContact CE-CB 3.89Å; M543-I566 HydrophobicContact CE-CG1 3.87Å; M543-I566 HydrophobicContact SD-CD1 3.53Å; M543-I566 VanDerWaalsContact SD-CD1 3.53Å; M543-I566 HydrophobicContact SD-CG1 3.31Å; M543-I566 WeakPolarHBondContact SD-CG1 3.37Å; M543-L644 HydrophobicContact CG-CD1 4.26Å; M543-L644 HydrophobicContact SD-CD1 4.21Å
544	V	83.6	Confident	76.8	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.03	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-45.7	173.6	166.7	0	0	0	0	111.5	L540 R541 T546 K547 K548 T640 D643 L644	L540-V544 WeakPolarHBondContact O-CG2 3.16Å; L540-V544 PolarHBondContact O-N 3.02Å; R541-V544 PolarHBondContact O-N 3.42Å; V544-T546 VanDerWaalsContact C-N 3.33Å; V544-T546 PolarHBondContact O-N 2.93Å; V544-K547 WeakPolarHBondContact O-CB 3.33Å; V544-K547 PolarHBondContact O-N 3.38Å; V544-K548 HydrophobicContact CG1-CD 4.06Å; V544-K548 WeakPolarHBondContact O-CG 3.32Å; V544-K548 PolarHBondContact O-N 3.27Å; V544-T640 HydrophobicContact CG2-CG2 4.05Å; V544-D643 HydrophobicContact CG1-CB 3.77Å; V544-D643 HydrophobicContact CG2-CB 4.18Å; V544-L644 HydrophobicContact CG2-CB 3.83Å; V544-L644 HydrophobicContact CG2-CD1 4Å
545	E	79.7	Confident	75.6	Confident	125 Å²	125	62.8 Å²	62.8	58%	0.584	38%	0.378	S	S	*	.	H	α-helix	trans	-60.5	-44.1	176.5	-72.3	173.6	-169.7	0	0	111.1	R541 K547 K548 V549	R541-E545 WeakPolarHBondContact O-CG 3.47Å; R541-E545 PolarHBondContact O-N 2.94Å; E545-K547 PolarHBondContact O-N 2.95Å; E545-K548 PolarHBondContact O-N 3Å; E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.09Å
546	T	73.6	Confident	74.2	Confident	82 Å²	82	64.5 Å²	64.5	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177	-54.6	0	0	0	0	112.1	T542 M543 V544 V549 S550	T542-T546 WeakPolarHBondContact O-CB 3.28Å; T542-T546 PolarHBondContact O-N 3.41Å; T542-T546 PolarHBondContact O-OG1 3.11Å; M543-T546 PolarHBondContact O-N 3.3Å; V544-T546 VanDerWaalsContact C-N 3.33Å; V544-T546 PolarHBondContact O-N 2.93Å; T546-V549 PolarHBondContact O-N 3.18Å; T546-S550 PolarHBondContact O-N 2.85Å; T546-S550 VanDerWaalsContact O-N 3.08Å; T546-S550 PolarHBondContact O-OG 2.79Å; T546-S550 VanDerWaalsContact O-OG 3.05Å
547	K	70.8	Confident	73.2	Confident	33 Å²	33	64.6 Å²	64.6	14%	0.143	38%	0.382	C	S	.	.	H	α-helix	trans	-59.4	-46.6	172.4	-174.6	-163.1	-179.3	-175.4	0	111.2	M543 V544 E545 S550 G553 L555 L644	M543-K547 WeakPolarHBondContact O-CB 3.36Å; M543-K547 PolarHBondContact O-N 3.05Å; V544-K547 WeakPolarHBondContact O-CB 3.33Å; V544-K547 PolarHBondContact O-N 3.38Å; E545-K547 PolarHBondContact O-N 2.95Å; K547-S550 PolarHBondContact O-N 3.29Å; K547-G553 WeakPolarHBondContact CE-O 3.42Å; K547-L555 HydrophobicContact CB-CD2 4Å; K547-L555 HydrophobicContact CD-CD2 3.76Å; K547-L555 HydrophobicContact CD-CG 3.97Å; K547-L555 HydrophobicContact CG-CD2 3.81Å; K547-L555 HydrophobicContact CG-CG 4.27Å; K547-L644 PolarHBondContact NZ-O 3.39Å
548	K	67.4	Low	72.2	Confident	122 Å²	122	69 Å²	69	53%	0.53	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-41.8	179.6	-72.9	173.2	177.7	-179.6	0	111.6	V544 E545 D643	V544-K548 HydrophobicContact CG1-CD 4.06Å; V544-K548 WeakPolarHBondContact O-CG 3.32Å; V544-K548 PolarHBondContact O-N 3.27Å; E545-K548 PolarHBondContact O-N 3Å; K548-D643 IonicContact NZ-OD1 3.42Å; K548-D643 PolarHBondContact NZ-OD1 3.05Å; K548-D643 IonicContact NZ-OD2 3.86Å; K548-D643 PolarHBondContact NZ-OD2 2.81Å
549	V	58.6	Low	71.7	Confident	128 Å²	128	69.9 Å²	69.9	78%	0.776	40%	0.404	S	S	*	.	H	α-helix	trans	-66.6	-36.3	177.1	172.1	0	0	0	0	112.7	E545 T546 G551	E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.09Å; T546-V549 PolarHBondContact O-N 3.18Å; V549-G551 PolarHBondContact O-N 3.03Å
550	S	58.9	Low	71.6	Confident	81 Å²	81	67.9 Å²	67.9	57%	0.566	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.9	-178.2	-68	0	0	0	0	114.6	T546 K547 S552	T546-S550 PolarHBondContact O-N 2.85Å; T546-S550 VanDerWaalsContact O-N 3.08Å; T546-S550 PolarHBondContact O-OG 2.79Å; T546-S550 VanDerWaalsContact O-OG 3.05Å; K547-S550 PolarHBondContact O-N 3.29Å; S550-S552 PolarHBondContact O-N 3.27Å
551	G	57.1	Low	71.4	Confident	68 Å²	68	70 Å²	70	70%	0.701	41%	0.411	S	S	*	.			trans	65.2	-9.6	173	0	0	0	0	0	117	V549 G553	V549-G551 PolarHBondContact O-N 3.03Å; G551-G553 VanDerWaalsContact C-N 3.32Å; G551-G553 PolarHBondContact O-N 3.35Å
552	S	56.7	Low	71.3	Confident	84 Å²	84	67.6 Å²	67.6	59%	0.587	41%	0.405	S	S	*	.	S	Bend	trans	-72.6	-20.3	-174.9	-165.3	0	0	0	0	113.9	S550 M554	S550-S552 PolarHBondContact O-N 3.27Å; S552-M554 PolarHBondContact O-N 2.79Å
553	G	56.3	Low	71.7	Confident	55 Å²	55	63.9 Å²	63.9	57%	0.567	38%	0.382	S	S	*	.	S	Bend	trans	71.4	-34.3	-170.3	0	0	0	0	0	113.8	K547 G551	K547-G553 WeakPolarHBondContact CE-O 3.42Å; G551-G553 VanDerWaalsContact C-N 3.32Å; G551-G553 PolarHBondContact O-N 3.35Å
554	M	57.4	Low	72.2	Confident	129 Å²	129	63.3 Å²	63.3	64%	0.635	38%	0.379	S	S	*	.	S	Bend	trans	-80.4	140.1	174.4	-162.6	171.1	76	0	0	111.9	S552 N556	S552-M554 PolarHBondContact O-N 2.79Å; M554-N556 PolarHBondContact O-N 2.95Å
555	L	65.7	Low	72.6	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.073	39%	0.39	C	S	.	.			trans	-78.9	105.4	175.6	-80.9	164.2	0	0	0	110.7	L438 K547 L557 L644	L438-L555 HydrophobicContact CD2-CD1 3.91Å; K547-L555 HydrophobicContact CB-CD2 4Å; K547-L555 HydrophobicContact CD-CD2 3.76Å; K547-L555 HydrophobicContact CD-CG 3.97Å; K547-L555 HydrophobicContact CG-CD2 3.81Å; K547-L555 HydrophobicContact CG-CG 4.27Å; L555-L557 HydrophobicContact CB-CD1 3.69Å; L555-L557 HydrophobicContact CB-CG 3.97Å; L555-L557 HydrophobicContact CD1-CD1 4.4Å; L555-L557 HydrophobicContact CG-CD1 4.47Å; L555-L557 PolarHBondContact O-N 2.94Å; L555-L557 VanDerWaalsContact O-N 3.16Å; L555-L644 HydrophobicContact CD1-CD1 3.86Å; L555-L644 HydrophobicContact CD1-CG 3.94Å; L555-L644 HydrophobicContact CD2-CD1 3.69Å; L555-L644 HydrophobicContact CG-CD1 4.39Å
556	N	64.1	Low	73.3	Confident	104 Å²	104	59.7 Å²	59.7	56%	0.556	36%	0.362	S	S	*	.			trans	-87.4	82.4	178.9	-161.6	66.2	0	0	0	111.2	M554 D558	M554-N556 PolarHBondContact O-N 2.95Å; N556-D558 PolarHBondContact ND2-OD1 3.37Å; N556-D558 PolarHBondContact ND2-OD2 3.12Å; N556-D558 PolarHBondContact O-N 3.38Å; N556-D558 PolarHBondContact OD1-OD1 3.24Å
557	L	73.6	Confident	74.5	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.052	34%	0.338	C	S	.	.			trans	-98.6	66.5	-170.7	-61.9	158.5	0	0	0	111	V441 M543 L555 N559 D562 R563 I566	V441-L557 HydrophobicContact CB-CD1 4.45Å; V441-L557 HydrophobicContact CG1-CB 4.31Å; V441-L557 HydrophobicContact CG1-CD1 3.38Å; V441-L557 HydrophobicContact CG2-CD1 4.15Å; M543-L557 HydrophobicContact SD-CD2 3.93Å; L555-L557 HydrophobicContact CB-CD1 3.69Å; L555-L557 HydrophobicContact CB-CG 3.97Å; L555-L557 HydrophobicContact CD1-CD1 4.4Å; L555-L557 HydrophobicContact CG-CD1 4.47Å; L555-L557 PolarHBondContact O-N 2.94Å; L555-L557 VanDerWaalsContact O-N 3.16Å; L557-N559 VanDerWaalsContact C-N 3.26Å; L557-N559 PolarHBondContact O-N 3.16Å; L557-D562 HydrophobicContact CD2-CB 3.65Å; L557-R563 HydrophobicContact CB-CG 3.9Å; L557-I566 HydrophobicContact CD1-CD1 3.28Å; L557-I566 HydrophobicContact CD2-CD1 3.72Å; L557-I566 HydrophobicContact CG-CD1 4.14Å
558	D	70.1	Confident	75.8	Confident	103 Å²	103	55.9 Å²	55.9	55%	0.551	34%	0.339	S	S	*	.			trans	-69	-21.6	-167.8	-67.7	-17.3	0	0	0	114	N556	N556-D558 PolarHBondContact ND2-OD1 3.37Å; N556-D558 PolarHBondContact ND2-OD2 3.12Å; N556-D558 PolarHBondContact O-N 3.38Å; N556-D558 PolarHBondContact OD1-OD1 3.24Å
559	N	79.7	Confident	77.2	Confident	68 Å²	68	50.1 Å²	50.1	36%	0.364	31%	0.314	S	S	.	.	S	Bend	trans	-124.1	156.6	-172.9	77.2	78	0	0	0	112.9	L557 A561 D562 R563	L557-N559 VanDerWaalsContact C-N 3.26Å; L557-N559 PolarHBondContact O-N 3.16Å; N559-A561 VanDerWaalsContact C-N 3.28Å; N559-A561 PolarHBondContact O-N 2.6Å; N559-A561 WeakPolarHBondContact OD1-CA 3.3Å; N559-A561 VanDerWaalsContact OD1-CB 3.25Å; N559-A561 WeakPolarHBondContact OD1-CB 3.33Å; N559-A561 PolarHBondContact OD1-N 3.11Å; N559-D562 PolarHBondContact ND2-OD1 2.85Å; N559-D562 PolarHBondContact ND2-OD2 3.26Å; N559-D562 PolarHBondContact O-N 3.14Å; N559-D562 PolarHBondContact OD1-N 3.21Å; N559-R563 VanDerWaalsContact C-NH1 3.32Å; N559-R563 PolarHBondContact O-N 3.09Å
560	Y	86.3	Confident	79.1	Confident	12 Å²	12	44 Å²	44	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-55.2	-37	179.5	174	-98.7	0	0	0	114.4	N225 I228 R519 M520 E523 D562 R563 I564	N225-Y560 HydrophobicContact CB-CG 4.48Å; N225-Y560 WeakPolarHBondContact OD1-CD1 3.41Å; I228-Y560 HydrophobicContact CD1-CD2 3.38Å; I228-Y560 HydrophobicContact CD1-CE2 3.38Å; I228-Y560 HydrophobicContact CD1-CG 4.48Å; R519-Y560 PolarHBondContact NE-OH 3.47Å; R519-Y560 VanDerWaalsContact NH2-CE2 3.32Å; R519-Y560 PolarHBondContact NH2-OH 3.22Å; R519-Y560 VanDerWaalsContact NH2-OH 3.08Å; M520-Y560 HydrophobicContact CG-CE2 3.79Å; M520-Y560 VanDerWaalsContact CG-OH 3.25Å; M520-Y560 WeakPolarHBondContact CG-OH 3.2Å; M520-Y560 HydrophobicContact SD-CE2 3.96Å; E523-Y560 PolarHBondContact OE1-OH 3Å; Y560-D562 PolarHBondContact O-N 3.45Å; Y560-R563 PolarHBondContact O-N 2.92Å; Y560-I564 HydrophobicContact CD1-CG2 4.27Å; Y560-I564 HydrophobicContact CE1-CB 4.1Å; Y560-I564 HydrophobicContact CE1-CG1 4.45Å; Y560-I564 HydrophobicContact CE1-CG2 3.9Å; Y560-I564 HydrophobicContact CE2-CB 4.26Å; Y560-I564 WeakPolarHBondContact O-CG2 3.28Å; Y560-I564 PolarHBondContact O-N 3.14Å
561	A	84.9	Confident	80.9	Confident	46 Å²	46	40.1 Å²	40.1	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-66.9	-40.1	-174.2	0	0	0	0	0	111.6	N559 I564 Q565	N559-A561 VanDerWaalsContact C-N 3.28Å; N559-A561 PolarHBondContact O-N 2.6Å; N559-A561 WeakPolarHBondContact OD1-CA 3.3Å; N559-A561 VanDerWaalsContact OD1-CB 3.25Å; N559-A561 WeakPolarHBondContact OD1-CB 3.33Å; N559-A561 PolarHBondContact OD1-N 3.11Å; A561-I564 WeakPolarHBondContact O-CG2 3.3Å; A561-Q565 WeakPolarHBondContact O-CB 3.39Å; A561-Q565 VanDerWaalsContact O-CG 3.25Å; A561-Q565 WeakPolarHBondContact O-CG 3.37Å; A561-Q565 PolarHBondContact O-N 2.96Å
562	D	86.3	Confident	82.9	Confident	51 Å²	51	36.9 Å²	36.9	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-68.5	-41.1	176.4	-51.8	-19.4	0	0	0	110.5	M543 L557 N559 Y560 Q565 I566	M543-D562 HydrophobicContact CE-CB 4.2Å; M543-D562 WeakPolarHBondContact CE-O 3.11Å; L557-D562 HydrophobicContact CD2-CB 3.65Å; N559-D562 PolarHBondContact ND2-OD1 2.85Å; N559-D562 PolarHBondContact ND2-OD2 3.26Å; N559-D562 PolarHBondContact O-N 3.14Å; N559-D562 PolarHBondContact OD1-N 3.21Å; Y560-D562 PolarHBondContact O-N 3.45Å; D562-Q565 PolarHBondContact O-N 3Å; D562-I566 PolarHBondContact O-N 3.12Å
563	R	91.7	Very high	84.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-43.7	179.9	-64.2	-171.6	-48.9	-102.3	6.7	112.8	D229 V441 F442 E446 L557 N559 Y560 Q565 I566 L567	D229-R563 IonicContact OD1-CZ 2.75Å; D229-R563 VanDerWaalsContact OD1-CZ 3.24Å; D229-R563 IonicContact OD1-NH1 2.67Å; D229-R563 PolarHBondContact OD1-NH1 3.33Å; D229-R563 IonicContact OD1-NH2 3.03Å; D229-R563 PolarHBondContact OD1-NH2 3.33Å; V441-R563 HydrophobicContact CG1-CG 4.42Å; V441-R563 VanDerWaalsContact O-CD 3.27Å; V441-R563 WeakPolarHBondContact O-CD 3.44Å; F442-R563 HydrophobicContact CD1-CB 4.33Å; F442-R563 HydrophobicContact CE1-CB 4.05Å; F442-R563 HydrophobicContact CE1-CG 4.48Å; E446-R563 IonicContact OE1-CZ 3.23Å; E446-R563 IonicContact OE1-NE 2.56Å; E446-R563 PolarHBondContact OE1-NE 3.06Å; E446-R563 IonicContact OE1-NH2 3.82Å; E446-R563 PolarHBondContact OE1-NH2 3.01Å; E446-R563 IonicContact OE2-NE 2.9Å; L557-R563 HydrophobicContact CB-CG 3.9Å; N559-R563 VanDerWaalsContact C-NH1 3.32Å; N559-R563 PolarHBondContact O-N 3.09Å; Y560-R563 PolarHBondContact O-N 2.92Å; R563-Q565 VanDerWaalsContact C-N 3.3Å; R563-Q565 PolarHBondContact O-N 3.42Å; R563-I566 PolarHBondContact O-N 2.92Å; R563-L567 WeakPolarHBondContact O-CG 3.49Å; R563-L567 PolarHBondContact O-N 2.76Å
564	I	93.8	Very high	86.9	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-34.8	177.8	-163.5	63.5	0	0	0	111.2	M520 E523 L524 Y560 A561 I566 L567 Q568	M520-I564 HydrophobicContact CB-CD1 4.29Å; M520-I564 HydrophobicContact CG-CD1 4.18Å; E523-I564 HydrophobicContact CB-CD1 4.42Å; E523-I564 HydrophobicContact CB-CG1 4.19Å; L524-I564 HydrophobicContact CD1-CD1 4.42Å; L524-I564 HydrophobicContact CD2-CD1 4.06Å; L524-I564 HydrophobicContact CG-CD1 4.06Å; Y560-I564 HydrophobicContact CD1-CG2 4.27Å; Y560-I564 HydrophobicContact CE1-CB 4.1Å; Y560-I564 HydrophobicContact CE1-CG1 4.45Å; Y560-I564 HydrophobicContact CE1-CG2 3.9Å; Y560-I564 HydrophobicContact CE2-CB 4.26Å; Y560-I564 WeakPolarHBondContact O-CG2 3.28Å; Y560-I564 PolarHBondContact O-N 3.14Å; A561-I564 WeakPolarHBondContact O-CG2 3.3Å; I564-I566 PolarHBondContact O-N 3.42Å; I564-L567 HydrophobicContact CD1-CD1 4.45Å; I564-L567 PolarHBondContact O-N 2.76Å; I564-Q568 HydrophobicContact CG1-CG 4.45Å; I564-Q568 WeakPolarHBondContact O-CB 3.4Å; I564-Q568 VanDerWaalsContact O-CG 3.26Å; I564-Q568 WeakPolarHBondContact O-CG 3.4Å; I564-Q568 PolarHBondContact O-N 3.2Å
565	Q	92.5	Very high	88.9	Confident	55 Å²	55	24.7 Å²	24.7	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-61.9	-39.1	173.1	-77.6	174.1	16.4	0	0	113	M543 A561 D562 R563 N569	M543-Q565 HydrophobicContact CE-CB 3.89Å; A561-Q565 WeakPolarHBondContact O-CB 3.39Å; A561-Q565 VanDerWaalsContact O-CG 3.25Å; A561-Q565 WeakPolarHBondContact O-CG 3.37Å; A561-Q565 PolarHBondContact O-N 2.96Å; D562-Q565 PolarHBondContact O-N 3Å; R563-Q565 VanDerWaalsContact C-N 3.3Å; R563-Q565 PolarHBondContact O-N 3.42Å; Q565-N569 WeakPolarHBondContact O-CB 3.02Å; Q565-N569 PolarHBondContact O-N 2.9Å; Q565-N569 PolarHBondContact O-ND2 3.15Å
566	I	94.4	Very high	90.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-44.5	172.9	-62	178.9	0	0	0	110.5	L438 F442 M543 L557 D562 R563 I564 Q568 N569 M570 W641 L644	L438-I566 HydrophobicContact CD2-CD1 4.36Å; L438-I566 HydrophobicContact CD2-CG2 4.35Å; F442-I566 HydrophobicContact CZ-CB 4.08Å; F442-I566 HydrophobicContact CZ-CG2 3.79Å; M543-I566 HydrophobicContact CE-CG1 3.87Å; M543-I566 HydrophobicContact SD-CD1 3.53Å; M543-I566 VanDerWaalsContact SD-CD1 3.53Å; M543-I566 HydrophobicContact SD-CG1 3.31Å; M543-I566 WeakPolarHBondContact SD-CG1 3.37Å; L557-I566 HydrophobicContact CD1-CD1 3.28Å; L557-I566 HydrophobicContact CD2-CD1 3.72Å; L557-I566 HydrophobicContact CG-CD1 4.14Å; D562-I566 PolarHBondContact O-N 3.12Å; R563-I566 PolarHBondContact O-N 2.92Å; I564-I566 PolarHBondContact O-N 3.42Å; I566-Q568 VanDerWaalsContact C-N 3.31Å; I566-Q568 PolarHBondContact O-N 3.5Å; I566-N569 CarbonylContact O-C 3.59Å; I566-N569 PolarHBondContact O-N 3.4Å; I566-M570 VanDerWaalsContact O-CB 3.28Å; I566-M570 WeakPolarHBondContact O-CB 3.48Å; I566-M570 PolarHBondContact O-N 3.35Å; I566-W641 HydrophobicContact CG2-CH2 4.02Å; I566-W641 HydrophobicContact CG2-CZ3 4.02Å; I566-L644 HydrophobicContact CD1-CD2 4.2Å; I566-L644 HydrophobicContact CG1-CD2 4.19Å; I566-L644 HydrophobicContact CG2-CD2 4.18Å
567	L	97.4	Very high	92	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-36.1	-179.5	-64.7	168.6	0	0	0	112	F442 E446 V450 L524 R563 I564 M570 I571	F442-L567 HydrophobicContact CD1-CD1 3.88Å; F442-L567 HydrophobicContact CD1-CD2 3.82Å; F442-L567 HydrophobicContact CD1-CG 3.91Å; F442-L567 HydrophobicContact CD2-CD2 4.21Å; F442-L567 HydrophobicContact CE1-CD1 3.96Å; F442-L567 HydrophobicContact CE1-CD2 3.64Å; F442-L567 HydrophobicContact CE1-CG 3.54Å; F442-L567 HydrophobicContact CE2-CD2 4.04Å; F442-L567 HydrophobicContact CG-CD2 4.1Å; F442-L567 HydrophobicContact CZ-CD2 3.75Å; F442-L567 HydrophobicContact CZ-CG 4.02Å; E446-L567 HydrophobicContact CB-CD1 3.86Å; E446-L567 HydrophobicContact CG-CD1 4.1Å; V450-L567 HydrophobicContact CB-CD2 4.15Å; V450-L567 HydrophobicContact CG1-CD2 4.08Å; V450-L567 HydrophobicContact CG2-CD2 4.4Å; L524-L567 HydrophobicContact CD2-CB 3.56Å; L524-L567 WeakPolarHBondContact CD2-O 3.45Å; R563-L567 WeakPolarHBondContact O-CG 3.49Å; R563-L567 PolarHBondContact O-N 2.76Å; I564-L567 HydrophobicContact CD1-CD1 4.45Å; I564-L567 PolarHBondContact O-N 2.76Å; L567-M570 HydrophobicContact CD2-SD 4.41Å; L567-M570 WeakPolarHBondContact O-CB 3.38Å; L567-M570 PolarHBondContact O-N 3.08Å; L567-I571 WeakPolarHBondContact O-CG2 3.49Å; L567-I571 PolarHBondContact O-N 3.42Å
568	Q	98.1	Very high	93.2	Very high	34 Å²	34	19.6 Å²	19.6	16%	0.159	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-45.7	171.8	-75.2	175.3	-42	0	0	111.6	E523 L524 A527 L536 I564 I566 M570 I571 H572	E523-Q568 PolarHBondContact O-NE2 3.31Å; L524-Q568 HydrophobicContact CD2-CG 3.96Å; A527-Q568 HydrophobicContact CB-CB 3.81Å; A527-Q568 HydrophobicContact CB-CG 3.78Å; L536-Q568 HydrophobicContact CD2-CB 3.89Å; I564-Q568 HydrophobicContact CG1-CG 4.45Å; I564-Q568 WeakPolarHBondContact O-CB 3.4Å; I564-Q568 VanDerWaalsContact O-CG 3.26Å; I564-Q568 WeakPolarHBondContact O-CG 3.4Å; I564-Q568 PolarHBondContact O-N 3.2Å; I566-Q568 VanDerWaalsContact C-N 3.31Å; I566-Q568 PolarHBondContact O-N 3.5Å; Q568-M570 VanDerWaalsContact C-N 3.31Å; Q568-M570 PolarHBondContact O-N 2.89Å; Q568-I571 VanDerWaalsContact O-CG2 3.31Å; Q568-I571 WeakPolarHBondContact O-CG2 3.49Å; Q568-H572 VanDerWaalsContact O-CB 3.29Å; Q568-H572 WeakPolarHBondContact O-CB 3.25Å; Q568-H572 PolarHBondContact O-N 3.14Å; Q568-H572 VanDerWaalsContact O-N 3.09Å
569	N	97.3	Very high	94.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-33.1	173.5	-84	-81.7	0	0	0	112.4	L536 L540 Q565 I566 H572 C573 W641	L536-N569 PolarHBondContact O-ND2 2.77Å; L536-N569 PolarHBondContact O-OD1 3.27Å; L540-N569 HydrophobicContact CD1-CB 3.91Å; L540-N569 HydrophobicContact CD2-CB 4.27Å; Q565-N569 WeakPolarHBondContact O-CB 3.02Å; Q565-N569 PolarHBondContact O-N 2.9Å; Q565-N569 PolarHBondContact O-ND2 3.15Å; I566-N569 CarbonylContact O-C 3.59Å; I566-N569 PolarHBondContact O-N 3.4Å; N569-H572 PolarHBondContact O-N 2.9Å; N569-C573 WeakPolarHBondContact O-CB 3.44Å; N569-C573 PolarHBondContact O-N 2.95Å; N569-C573 PolarHBondContact O-SG 2.91Å; N569-W641 HydrophobicContact CB-CE3 4.45Å; N569-W641 HydrophobicContact CB-CZ3 4.34Å
570	M	98	Very high	95.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-48	179.1	-174.6	-175	-73	0	0	111.8	L432 L433 L438 F442 I566 L567 Q568 H572 C573 A574 W641	L432-M570 HydrophobicContact CB-CE 4.38Å; L432-M570 HydrophobicContact CB-CG 3.71Å; L432-M570 HydrophobicContact CB-SD 4.12Å; L432-M570 HydrophobicContact CD1-CG 3.89Å; L432-M570 HydrophobicContact CG-CG 4.48Å; L433-M570 HydrophobicContact CD2-CE 3.95Å; L433-M570 HydrophobicContact CD2-SD 3.82Å; L433-M570 HydrophobicContact CG-CE 4.25Å; L433-M570 HydrophobicContact CG-SD 3.68Å; L438-M570 HydrophobicContact CD1-CE 3.67Å; F442-M570 HydrophobicContact CE2-CE 4.06Å; I566-M570 VanDerWaalsContact O-CB 3.28Å; I566-M570 WeakPolarHBondContact O-CB 3.48Å; I566-M570 PolarHBondContact O-N 3.35Å; L567-M570 HydrophobicContact CD2-SD 4.41Å; L567-M570 WeakPolarHBondContact O-CB 3.38Å; L567-M570 PolarHBondContact O-N 3.08Å; Q568-M570 VanDerWaalsContact C-N 3.31Å; Q568-M570 PolarHBondContact O-N 2.89Å; M570-H572 VanDerWaalsContact C-N 3.34Å; M570-C573 PolarHBondContact O-N 2.71Å; M570-A574 WeakPolarHBondContact O-CB 3.34Å; M570-A574 PolarHBondContact O-N 3.3Å; M570-W641 HydrophobicContact CB-CH2 3.65Å; M570-W641 HydrophobicContact CB-CZ3 3.9Å; M570-W641 HydrophobicContact CE-CH2 3.75Å; M570-W641 HydrophobicContact CE-CZ2 4.25Å; M570-W641 HydrophobicContact CG-CH2 3.85Å; M570-W641 HydrophobicContact CG-CZ2 4.37Å
571	I	98.4	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.5	-38.2	175.9	-168.2	171.6	0	0	0	111	V450 A453 A454 H457 L524 T528 L567 Q568 C573 A574 D575	V450-I571 HydrophobicContact CG2-CB 4.29Å; A453-I571 HydrophobicContact CB-CD1 3.73Å; A454-I571 HydrophobicContact CB-CD1 4.29Å; A454-I571 HydrophobicContact CB-CG1 4.48Å; H457-I571 HydrophobicContact CB-CD1 4.48Å; L524-I571 HydrophobicContact CD2-CG2 4.29Å; T528-I571 HydrophobicContact CG2-CD1 4.18Å; T528-I571 HydrophobicContact CG2-CG1 4.04Å; T528-I571 HydrophobicContact CG2-CG2 4.29Å; L567-I571 WeakPolarHBondContact O-CG2 3.49Å; L567-I571 PolarHBondContact O-N 3.42Å; Q568-I571 VanDerWaalsContact O-CG2 3.31Å; Q568-I571 WeakPolarHBondContact O-CG2 3.49Å; I571-C573 PolarHBondContact O-N 3.11Å; I571-A574 WeakPolarHBondContact O-CB 3.24Å; I571-A574 PolarHBondContact O-N 2.99Å; I571-D575 WeakPolarHBondContact O-CB 3.27Å; I571-D575 PolarHBondContact O-N 2.66Å
572	H	98.3	Very high	96.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.2	-37	175.2	-164	80.5	0	0	0	113.1	A527 M530 H533 L536 Q568 N569 M570 L576	A527-H572 PolarHBondContact O-ND1 3.38Å; M530-H572 VanDerWaalsContact CE-CE1 3.49Å; M530-H572 WeakPolarHBondContact CE-CE1 3.2Å; H533-H572 AromaticContact CG-NE2 3.95Å; H533-H572 AromaticContact ND1-CD2 3.91Å; H533-H572 AromaticContact ND1-NE2 3.32Å; H533-H572 PolarHBondContact ND1-NE2 3.21Å; L536-H572 HydrophobicContact CD1-CB 3.98Å; Q568-H572 VanDerWaalsContact O-CB 3.29Å; Q568-H572 WeakPolarHBondContact O-CB 3.25Å; Q568-H572 PolarHBondContact O-N 3.14Å; Q568-H572 VanDerWaalsContact O-N 3.09Å; N569-H572 PolarHBondContact O-N 2.9Å; M570-H572 VanDerWaalsContact C-N 3.34Å; H572-L576 VanDerWaalsContact NE2-CD1 3.27Å; H572-L576 WeakPolarHBondContact NE2-CD1 3.35Å; H572-L576 WeakPolarHBondContact O-CB 3.22Å; H572-L576 PolarHBondContact O-N 3.34Å
573	C	98.2	Very high	97.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-39.4	171	-68.7	0	0	0	0	111.4	L432 N569 M570 I571 L576 S577 W638	L432-C573 HydrophobicContact CD1-CB 4.09Å; N569-C573 WeakPolarHBondContact O-CB 3.44Å; N569-C573 PolarHBondContact O-N 2.95Å; N569-C573 PolarHBondContact O-SG 2.91Å; M570-C573 PolarHBondContact O-N 2.71Å; I571-C573 PolarHBondContact O-N 3.11Å; C573-L576 CarbonylContact O-C 3.53Å; C573-L576 VanDerWaalsContact O-C 3.28Å; C573-L576 PolarHBondContact O-N 3.41Å; C573-S577 WeakPolarHBondContact O-CA 3.19Å; C573-S577 WeakPolarHBondContact O-CB 3.23Å; C573-S577 PolarHBondContact O-N 2.99Å; C573-W638 HydrophobicContact CB-CH2 3.85Å; C573-W638 HydrophobicContact CB-CZ2 3.95Å; C573-W638 HydrophobicContact CB-CZ3 4.27Å; C573-W638 WeakPolarHBondContact O-CZ2 3.36Å
574	A	98.5	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-40.5	179.4	0	0	0	0	0	112.5	V425 T428 A429 L432 M570 I571 S577	V425-A574 HydrophobicContact CG1-CB 3.87Å; T428-A574 HydrophobicContact CG2-CB 3.86Å; A429-A574 HydrophobicContact CB-CB 4.15Å; L432-A574 HydrophobicContact CD1-CB 4.31Å; M570-A574 WeakPolarHBondContact O-CB 3.34Å; M570-A574 PolarHBondContact O-N 3.3Å; I571-A574 WeakPolarHBondContact O-CB 3.24Å; I571-A574 PolarHBondContact O-N 2.99Å; A574-S577 WeakPolarHBondContact O-CB 3.49Å; A574-S577 PolarHBondContact O-OG 3.09Å
575	D	98.7	Very high	97.7	Very high	12 Å²	12	16.3 Å²	16.3	6%	0.064	8%	0.077	C	C	.	.	H	α-helix	trans	-61.2	-56.3	169.8	177.9	3.6	0	0	0	110.9	H421 V425 M530 I571 S577	H421-D575 IonicContact CE1-OD1 3.68Å; H421-D575 IonicContact NE2-OD1 2.74Å; V425-D575 HydrophobicContact CG1-CB 4.49Å; V425-D575 HydrophobicContact CG2-CB 4.45Å; M530-D575 WeakPolarHBondContact CE-OD2 3.25Å; I571-D575 WeakPolarHBondContact O-CB 3.27Å; I571-D575 PolarHBondContact O-N 2.66Å; D575-S577 PolarHBondContact O-N 3.45Å
576	L	98.3	Very high	98	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.063	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	28.9	177.7	-60	-168.3	0	0	0	114.8	M530 H572 C573 F629 V633 L637 W638	M530-L576 HydrophobicContact CE-CD1 4.32Å; M530-L576 HydrophobicContact CE-CD2 3.65Å; M530-L576 HydrophobicContact CE-CG 3.95Å; M530-L576 HydrophobicContact SD-CD1 4Å; M530-L576 HydrophobicContact SD-CD2 3.84Å; M530-L576 HydrophobicContact SD-CG 4.23Å; H572-L576 VanDerWaalsContact NE2-CD1 3.27Å; H572-L576 WeakPolarHBondContact NE2-CD1 3.35Å; H572-L576 WeakPolarHBondContact O-CB 3.22Å; H572-L576 PolarHBondContact O-N 3.34Å; C573-L576 CarbonylContact O-C 3.53Å; C573-L576 VanDerWaalsContact O-C 3.28Å; C573-L576 PolarHBondContact O-N 3.41Å; L576-F629 HydrophobicContact CD2-CZ 4.06Å; L576-V633 HydrophobicContact CD1-CG1 3.94Å; L576-L637 HydrophobicContact CB-CD2 4.11Å; L576-L637 HydrophobicContact CD1-CD2 3.99Å; L576-W638 PolarHBondContact O-NE1 3.45Å; L576-W638 VanDerWaalsContact O-NE1 3.08Å
577	S	98.4	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-21.2	-176.8	66.2	0	0	0	0	114.2	C573 A574 D575 A580 K581	C573-S577 WeakPolarHBondContact O-CA 3.19Å; C573-S577 WeakPolarHBondContact O-CB 3.23Å; C573-S577 PolarHBondContact O-N 2.99Å; A574-S577 WeakPolarHBondContact O-CB 3.49Å; A574-S577 PolarHBondContact O-OG 3.09Å; D575-S577 PolarHBondContact O-N 3.45Å; S577-A580 CarbonylContact O-C 3.53Å; S577-A580 WeakPolarHBondContact O-CA 3.27Å; S577-A580 PolarHBondContact O-N 3.15Å; S577-K581 PolarHBondContact O-N 3.06Å; S577-K581 VanDerWaalsContact OG-CE 3.26Å; S577-K581 WeakPolarHBondContact OG-CE 3.32Å; S577-K581 PolarHBondContact OG-NZ 3.37Å
578	N	98.4	Very high	98.2	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.043	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-53.1	-43.6	-170.3	-77.5	-25.9	0	0	0	114.9	Y416 D424 A580 K581 Y586 W589	Y416-N578 WeakPolarHBondContact CE2-ND2 3.39Å; Y416-N578 PolarHBondContact OH-ND2 2.78Å; D424-N578 PolarHBondContact OD2-OD1 3.42Å; N578-A580 PolarHBondContact O-N 3.07Å; N578-K581 PolarHBondContact O-N 3.28Å; N578-Y586 HydrophobicContact CB-CD2 4.46Å; N578-Y586 VanDerWaalsContact O-CB 3.3Å; N578-Y586 WeakPolarHBondContact O-CB 3.46Å; N578-Y586 VanDerWaalsContact O-CD2 3.28Å; N578-Y586 WeakPolarHBondContact O-CD2 3.27Å; N578-Y586 VanDerWaalsContact O-CG 3.29Å; N578-W589 HydrophobicContact CB-CB 4.14Å; N578-W589 HydrophobicContact CB-CG 4.33Å; N578-W589 VanDerWaalsContact CG-CD1 3.43Å; N578-W589 PolarHBondContact OD1-NE1 3.49Å; N578-W589 VanDerWaalsContact OD1-NE1 3.09Å
579	P	98.5	Very high	98.2	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.019	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-66.6	-15.6	176.4	-24.3	37.9	0	0	0	115.5	Y586 F629 I630 L656 N659	P579-Y586 HydrophobicContact CB-CD1 4.47Å; P579-Y586 HydrophobicContact CB-CD2 4.49Å; P579-Y586 HydrophobicContact CB-CE1 3.86Å; P579-Y586 HydrophobicContact CB-CE2 3.93Å; P579-Y586 HydrophobicContact CG-CD2 4.5Å; P579-Y586 HydrophobicContact CG-CE2 3.77Å; P579-F629 HydrophobicContact CG-CD1 4.08Å; P579-F629 HydrophobicContact CG-CE1 3.94Å; P579-I630 HydrophobicContact CB-CD1 4.06Å; P579-I630 HydrophobicContact CB-CG1 3.76Å; P579-I630 HydrophobicContact CG-CG1 4.45Å; P579-L656 HydrophobicContact CB-CD1 3.58Å; P579-L656 WeakPolarHBondContact O-CD1 3.25Å; P579-N659 PolarHBondContact O-ND2 3.13Å
580	A	98.1	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-103.9	1.5	176.6	0	0	0	0	0	113.3	W359 S577 N578 I652 T655 L656	W359-A580 HydrophobicContact CZ2-CB 4.18Å; W359-A580 PolarHBondContact NE1-O 2.73Å; S577-A580 CarbonylContact O-C 3.53Å; S577-A580 WeakPolarHBondContact O-CA 3.27Å; S577-A580 PolarHBondContact O-N 3.15Å; N578-A580 PolarHBondContact O-N 3.07Å; A580-I652 HydrophobicContact CB-CG2 3.45Å; A580-I652 VanDerWaalsContact CB-CG2 3.45Å; A580-T655 WeakPolarHBondContact O-CG2 3.47Å; A580-L656 HydrophobicContact CB-CB 3.98Å; A580-L656 HydrophobicContact CB-CD1 4.23Å
581	K	98.2	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-75.3	154.6	169.3	-60.9	-69.9	169.7	67.7	0	109.7	W359 D424 T428 S577 N578 L583 L585 N659	W359-K581 HydrophobicContact CZ2-CD 4.09Å; D424-K581 IonicContact OD1-NZ 3.49Å; D424-K581 PolarHBondContact OD1-NZ 2.86Å; D424-K581 IonicContact OD2-NZ 3.5Å; D424-K581 PolarHBondContact OD2-NZ 3.4Å; T428-K581 WeakPolarHBondContact OG1-CE 3.25Å; T428-K581 PolarHBondContact OG1-NZ 3.4Å; S577-K581 PolarHBondContact O-N 3.06Å; S577-K581 VanDerWaalsContact OG-CE 3.26Å; S577-K581 WeakPolarHBondContact OG-CE 3.32Å; S577-K581 PolarHBondContact OG-NZ 3.37Å; N578-K581 PolarHBondContact O-N 3.28Å; K581-L583 PolarHBondContact O-N 3.08Å; K581-L585 HydrophobicContact CB-CB 4.25Å; K581-N659 PolarHBondContact O-ND2 2.92Å
582	P	98	Very high	98.2	Very high	40 Å²	40	28.9 Å²	28.9	26%	0.26	14%	0.137	S	C	.	.			trans	-48.7	133.9	175	-29.5	34.8	0	0	0	112.6	R584 L585 Y586	P582-R584 PolarHBondContact O-N 3.1Å; P582-L585 WeakPolarHBondContact O-CA 3.38Å; P582-L585 WeakPolarHBondContact O-CB 3.24Å; P582-L585 PolarHBondContact O-N 3.15Å; P582-Y586 PolarHBondContact O-N 2.98Å
583	L	97.9	Very high	98.2	Very high	47 Å²	47	30.2 Å²	30.2	25%	0.246	14%	0.144	C	C	.	.	H	α-helix	trans	-43.5	-38.5	-169.6	-175.4	64.2	0	0	0	115.5	K581 L585 Y586 R587 N659 W662	K581-L583 PolarHBondContact O-N 3.08Å; L583-L585 PolarHBondContact O-N 3.13Å; L583-Y586 PolarHBondContact O-N 3.07Å; L583-R587 HydrophobicContact CD1-CG 3.92Å; L583-R587 HydrophobicContact CG-CG 4.26Å; L583-R587 WeakPolarHBondContact O-CB 3.32Å; L583-R587 WeakPolarHBondContact O-CG 3.41Å; L583-R587 PolarHBondContact O-N 3.21Å; L583-N659 WeakPolarHBondContact CA-OD1 3.21Å; L583-N659 VanDerWaalsContact CB-OD1 3.25Å; L583-N659 WeakPolarHBondContact CB-OD1 3.36Å; L583-N659 WeakPolarHBondContact CD1-OD1 3.49Å; L583-W662 HydrophobicContact CD1-CB 4.43Å; L583-W662 HydrophobicContact CD1-CD2 3.78Å; L583-W662 HydrophobicContact CD1-CE3 3.77Å; L583-W662 HydrophobicContact CD1-CG 4.07Å; L583-W662 HydrophobicContact CD1-CZ3 4.4Å; L583-W662 HydrophobicContact CD2-CB 4.46Å; L583-W662 HydrophobicContact CD2-CD2 3.76Å; L583-W662 HydrophobicContact CD2-CG 3.67Å; L583-W662 HydrophobicContact CD2-CZ2 4.49Å; L583-W662 HydrophobicContact CG-CD2 4.37Å
584	R	97.9	Very high	98.2	Very high	129 Å²	129	30.8 Å²	30.8	49%	0.487	15%	0.147	S	C	.	.	H	α-helix	trans	-59.5	-29.8	177.4	72.7	-169	-176.4	78	11.5	113.9	G360 D362 P582 K588	G360-R584 PolarHBondContact O-NH2 2.69Å; D362-R584 IonicContact OD2-CZ 3.88Å; D362-R584 IonicContact OD2-NH1 3.47Å; D362-R584 PolarHBondContact OD2-NH1 3.38Å; D362-R584 IonicContact OD2-NH2 2.77Å; P582-R584 PolarHBondContact O-N 3.1Å; R584-K588 WeakPolarHBondContact O-CG 3.25Å
585	L	98.3	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-89.1	-48.1	176.4	-59.5	-178.3	0	0	0	110	G360 V361 D362 F364 K581 P582 L583 R587 K588 W589	G360-L585 WeakPolarHBondContact O-CD1 3.28Å; V361-L585 VanDerWaalsContact O-CD1 3.27Å; V361-L585 WeakPolarHBondContact O-CD1 3.36Å; D362-L585 HydrophobicContact CB-CD2 4.15Å; D362-L585 WeakPolarHBondContact OD1-CD2 3.44Å; F364-L585 HydrophobicContact CD2-CD2 3.8Å; F364-L585 HydrophobicContact CE2-CB 4.42Å; F364-L585 HydrophobicContact CE2-CD2 3.96Å; K581-L585 HydrophobicContact CB-CB 4.25Å; P582-L585 WeakPolarHBondContact O-CA 3.38Å; P582-L585 WeakPolarHBondContact O-CB 3.24Å; P582-L585 PolarHBondContact O-N 3.15Å; L583-L585 PolarHBondContact O-N 3.13Å; L585-R587 VanDerWaalsContact C-N 3.29Å; L585-R587 PolarHBondContact O-N 3.15Å; L585-K588 WeakPolarHBondContact O-CA 3.35Å; L585-K588 WeakPolarHBondContact O-CB 3.38Å; L585-K588 PolarHBondContact O-N 2.95Å; L585-W589 PolarHBondContact O-N 3.34Å
586	Y	98.4	Very high	98.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-54	-46	178.9	179.7	-156.1	0	0	0	111.5	N578 P579 P582 L583 K588 W589 T590 Q626 I630 N659 Y663	N578-Y586 HydrophobicContact CB-CD2 4.46Å; N578-Y586 VanDerWaalsContact O-CB 3.3Å; N578-Y586 WeakPolarHBondContact O-CB 3.46Å; N578-Y586 VanDerWaalsContact O-CD2 3.28Å; N578-Y586 WeakPolarHBondContact O-CD2 3.27Å; N578-Y586 VanDerWaalsContact O-CG 3.29Å; P579-Y586 HydrophobicContact CB-CD1 4.47Å; P579-Y586 HydrophobicContact CB-CD2 4.49Å; P579-Y586 HydrophobicContact CB-CE1 3.86Å; P579-Y586 HydrophobicContact CB-CE2 3.93Å; P579-Y586 HydrophobicContact CG-CD2 4.5Å; P579-Y586 HydrophobicContact CG-CE2 3.77Å; P582-Y586 PolarHBondContact O-N 2.98Å; L583-Y586 PolarHBondContact O-N 3.07Å; Y586-K588 VanDerWaalsContact C-N 3.31Å; Y586-K588 PolarHBondContact O-N 2.58Å; Y586-W589 CarbonylContact O-C 3.5Å; Y586-W589 WeakPolarHBondContact O-CA 3.15Å; Y586-W589 WeakPolarHBondContact O-CB 2.95Å; Y586-W589 PolarHBondContact O-N 2.82Å; Y586-T590 WeakPolarHBondContact CD2-OG1 3.43Å; Y586-T590 WeakPolarHBondContact CE2-OG1 3.34Å; Y586-T590 PolarHBondContact O-N 2.88Å; Y586-T590 PolarHBondContact O-OG1 2.81Å; Y586-Q626 WeakPolarHBondContact OH-CB 3.13Å; Y586-Q626 PolarHBondContact OH-OE1 3.37Å; Y586-I630 HydrophobicContact CE1-CD1 4.14Å; Y586-N659 HydrophobicContact CD1-CB 3.9Å; Y586-N659 HydrophobicContact CE1-CB 4.13Å; Y586-Y663 HydrophobicContact CD1-CD2 4.49Å; Y586-Y663 AromaticContact CD1-CE2 3.77Å; Y586-Y663 HydrophobicContact CD1-CE2 3.77Å; Y586-Y663 AromaticContact CE1-CD2 3.82Å; Y586-Y663 HydrophobicContact CE1-CD2 3.82Å; Y586-Y663 AromaticContact CE1-CE2 3.31Å; Y586-Y663 HydrophobicContact CE1-CE2 3.31Å; Y586-Y663 AromaticContact CZ-CE2 3.8Å
587	R	97.9	Very high	98.1	Very high	139 Å²	139	35.6 Å²	35.6	53%	0.525	17%	0.168	S	C	.	.	H	α-helix	trans	-61.2	-32.9	176.2	-71	-179.6	65.4	-169.1	0.6	114.3	L583 L585 G591 W662	L583-R587 HydrophobicContact CD1-CG 3.92Å; L583-R587 HydrophobicContact CG-CG 4.26Å; L583-R587 WeakPolarHBondContact O-CB 3.32Å; L583-R587 WeakPolarHBondContact O-CG 3.41Å; L583-R587 PolarHBondContact O-N 3.21Å; L585-R587 VanDerWaalsContact C-N 3.29Å; L585-R587 PolarHBondContact O-N 3.15Å; R587-G591 PolarHBondContact O-N 3.37Å; R587-G591 VanDerWaalsContact O-N 3.15Å; R587-W662 HydrophobicContact CG-CH2 4.34Å; R587-W662 HydrophobicContact CG-CZ3 4.24Å
588	K	98.2	Very high	98.1	Very high	84 Å²	84	37 Å²	37	37%	0.365	17%	0.174	S	C	.	.	H	α-helix	trans	-67.9	-43.1	172.7	-67.3	172.8	-176.5	176.8	0	110.1	D362 F364 R584 L585 Y586 G591 R592	D362-K588 IonicContact OD1-NZ 3.74Å; D362-K588 PolarHBondContact OD1-NZ 3.16Å; D362-K588 IonicContact OD2-NZ 3.66Å; D362-K588 PolarHBondContact OD2-NZ 3.13Å; F364-K588 HydrophobicContact CB-CD 4.47Å; F364-K588 HydrophobicContact CD1-CD 4Å; F364-K588 HydrophobicContact CD2-CD 3.41Å; F364-K588 VanDerWaalsContact CD2-CD 3.41Å; F364-K588 HydrophobicContact CE1-CB 3.88Å; F364-K588 HydrophobicContact CE1-CD 4.09Å; F364-K588 HydrophobicContact CE2-CB 3.82Å; F364-K588 HydrophobicContact CE2-CD 3.48Å; F364-K588 VanDerWaalsContact CE2-CD 3.48Å; F364-K588 HydrophobicContact CE2-CG 4.33Å; F364-K588 HydrophobicContact CG-CD 3.69Å; F364-K588 HydrophobicContact CZ-CB 3.43Å; F364-K588 VanDerWaalsContact CZ-CB 3.43Å; F364-K588 HydrophobicContact CZ-CD 3.83Å; F364-K588 HydrophobicContact CZ-CG 4.32Å; R584-K588 WeakPolarHBondContact O-CG 3.25Å; L585-K588 WeakPolarHBondContact O-CA 3.35Å; L585-K588 WeakPolarHBondContact O-CB 3.38Å; L585-K588 PolarHBondContact O-N 2.95Å; Y586-K588 VanDerWaalsContact C-N 3.31Å; Y586-K588 PolarHBondContact O-N 2.58Å; K588-G591 PolarHBondContact O-N 3.06Å; K588-R592 PolarHBondContact O-N 2.86Å; K588-R592 VanDerWaalsContact O-N 3.1Å
589	W	98.6	Very high	98.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-46.5	177.9	-76.1	134.1	0	0	0	112.9	I363 F364 Y416 M420 H421 D424 N578 L585 Y586 G591 R592 L593	I363-W589 HydrophobicContact CG2-CZ2 3.69Å; F364-W589 HydrophobicContact CE1-CD2 4.35Å; F364-W589 HydrophobicContact CE1-CE3 4.42Å; F364-W589 HydrophobicContact CE1-CH2 4.32Å; F364-W589 HydrophobicContact CE1-CZ2 4.3Å; F364-W589 HydrophobicContact CE1-CZ3 4.4Å; F364-W589 HydrophobicContact CE2-CD2 4.39Å; F364-W589 AromaticContact CE2-CE2 3.94Å; F364-W589 HydrophobicContact CE2-CZ2 4.32Å; F364-W589 AromaticContact CE2-NE1 3.91Å; F364-W589 AromaticContact CZ-CD2 3.58Å; F364-W589 HydrophobicContact CZ-CD2 3.58Å; F364-W589 AromaticContact CZ-CE2 3.47Å; F364-W589 VanDerWaalsContact CZ-CE2 3.47Å; F364-W589 HydrophobicContact CZ-CE3 4.08Å; F364-W589 AromaticContact CZ-CG 3.95Å; F364-W589 HydrophobicContact CZ-CG 3.95Å; F364-W589 HydrophobicContact CZ-CH2 4.25Å; F364-W589 AromaticContact CZ-CZ2 3.84Å; F364-W589 HydrophobicContact CZ-CZ2 3.84Å; F364-W589 HydrophobicContact CZ-CZ3 4.38Å; F364-W589 AromaticContact CZ-NE1 3.85Å; Y416-W589 AromaticContact CD2-CE3 3.82Å; Y416-W589 HydrophobicContact CD2-CE3 3.82Å; Y416-W589 HydrophobicContact CD2-CZ3 4.37Å; Y416-W589 HydrophobicContact CE2-CB 4.46Å; Y416-W589 AromaticContact CE2-CE3 3.93Å; Y416-W589 HydrophobicContact CE2-CE3 3.93Å; M420-W589 HydrophobicContact CB-CH2 4.27Å; M420-W589 HydrophobicContact CG-CH2 3.96Å; M420-W589 HydrophobicContact CG-CZ2 4.44Å; M420-W589 HydrophobicContact SD-CH2 4.14Å; H421-W589 HydrophobicContact CB-CH2 3.96Å; H421-W589 HydrophobicContact CB-CZ3 4.08Å; D424-W589 HydrophobicContact CB-CZ2 3.89Å; D424-W589 PolarHBondContact OD2-NE1 3.44Å; N578-W589 HydrophobicContact CB-CB 4.14Å; N578-W589 HydrophobicContact CB-CG 4.33Å; N578-W589 VanDerWaalsContact CG-CD1 3.43Å; N578-W589 PolarHBondContact OD1-NE1 3.49Å; N578-W589 VanDerWaalsContact OD1-NE1 3.09Å; L585-W589 PolarHBondContact O-N 3.34Å; Y586-W589 CarbonylContact O-C 3.5Å; Y586-W589 WeakPolarHBondContact O-CA 3.15Å; Y586-W589 WeakPolarHBondContact O-CB 2.95Å; Y586-W589 PolarHBondContact O-N 2.82Å; W589-G591 VanDerWaalsContact C-N 3.3Å; W589-G591 PolarHBondContact O-N 3.48Å; W589-R592 PolarHBondContact O-N 3.5Å; W589-R592 VanDerWaalsContact O-N 3.15Å; W589-L593 WeakPolarHBondContact O-CB 3.46Å; W589-L593 PolarHBondContact O-N 2.52Å
590	T	98	Very high	98.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-55.6	-45.4	172.2	-56.9	0	0	0	0	111.2	Y586 R592 L593 I594 V622 Q626 Y663	Y586-T590 WeakPolarHBondContact CD2-OG1 3.43Å; Y586-T590 WeakPolarHBondContact CE2-OG1 3.34Å; Y586-T590 PolarHBondContact O-N 2.88Å; Y586-T590 PolarHBondContact O-OG1 2.81Å; T590-R592 VanDerWaalsContact C-N 3.31Å; T590-R592 PolarHBondContact O-N 3.33Å; T590-L593 PolarHBondContact O-N 3.02Å; T590-I594 HydrophobicContact CG2-CG1 4.05Å; T590-I594 WeakPolarHBondContact O-CB 3.47Å; T590-I594 WeakPolarHBondContact O-CG1 3.32Å; T590-I594 PolarHBondContact O-N 2.72Å; T590-V622 HydrophobicContact CG2-CG1 3.96Å; T590-Q626 VanDerWaalsContact CG2-CD 3.48Å; T590-Q626 HydrophobicContact CG2-CG 3.8Å; T590-Q626 PolarHBondContact OG1-OE1 3.32Å; T590-Q626 VanDerWaalsContact OG1-OE1 3.07Å; T590-Y663 PolarHBondContact OG1-OH 3.03Å; T590-Y663 VanDerWaalsContact OG1-OH 3.13Å
591	G	97.6	Very high	98.1	Very high	45 Å²	45	41.2 Å²	41.2	46%	0.464	19%	0.189	S	C	.	.	H	α-helix	trans	-60	-38.8	178	0	0	0	0	0	113.4	R587 K588 W589 E595	R587-G591 PolarHBondContact O-N 3.37Å; R587-G591 VanDerWaalsContact O-N 3.15Å; K588-G591 PolarHBondContact O-N 3.06Å; W589-G591 VanDerWaalsContact C-N 3.3Å; W589-G591 PolarHBondContact O-N 3.48Å; G591-E595 WeakPolarHBondContact O-CB 3.47Å; G591-E595 PolarHBondContact O-N 3.45Å
592	R	98.4	Very high	98	Very high	77 Å²	77	43.3 Å²	43.3	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-69.3	-47.6	175	-76.3	175.6	173	-90.7	9.8	112.5	P415 Y416 K588 W589 T590 I594 E595 E596	P415-R592 WeakPolarHBondContact CB-O 3.44Å; P415-R592 WeakPolarHBondContact O-CB 3.18Å; P415-R592 WeakPolarHBondContact O-CD 3.38Å; P415-R592 WeakPolarHBondContact O-CG 3.23Å; P415-R592 PolarHBondContact O-NH1 3.23Å; Y416-R592 HydrophobicContact CD2-CB 4.32Å; K588-R592 PolarHBondContact O-N 2.86Å; K588-R592 VanDerWaalsContact O-N 3.1Å; W589-R592 PolarHBondContact O-N 3.5Å; W589-R592 VanDerWaalsContact O-N 3.15Å; T590-R592 VanDerWaalsContact C-N 3.31Å; T590-R592 PolarHBondContact O-N 3.33Å; R592-I594 VanDerWaalsContact C-N 3.35Å; R592-I594 PolarHBondContact O-N 2.86Å; R592-E595 PolarHBondContact O-N 2.79Å; R592-E596 PolarHBondContact O-N 2.68Å
593	L	98.1	Very high	98	Very high	28 Å²	28	45.1 Å²	45.1	15%	0.147	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-179.6	-175.3	63.4	0	0	0	111.6	Y416 W589 T590 E596 F597	Y416-L593 HydrophobicContact CD1-CD1 4.02Å; Y416-L593 HydrophobicContact CD2-CB 3.67Å; Y416-L593 HydrophobicContact CD2-CD1 4.07Å; Y416-L593 HydrophobicContact CD2-CG 4.41Å; Y416-L593 HydrophobicContact CE1-CD1 4.24Å; Y416-L593 HydrophobicContact CE2-CB 4.08Å; Y416-L593 HydrophobicContact CE2-CD1 4.26Å; Y416-L593 HydrophobicContact CG-CB 4.2Å; Y416-L593 HydrophobicContact CG-CD1 3.93Å; W589-L593 WeakPolarHBondContact O-CB 3.46Å; W589-L593 PolarHBondContact O-N 2.52Å; T590-L593 PolarHBondContact O-N 3.02Å; L593-E596 PolarHBondContact O-N 3.42Å; L593-F597 HydrophobicContact CD1-CD1 4.31Å; L593-F597 HydrophobicContact CD1-CE1 3.62Å; L593-F597 HydrophobicContact CD1-CE2 4.41Å; L593-F597 HydrophobicContact CD1-CZ 3.68Å; L593-F597 HydrophobicContact CD2-CE2 4.33Å; L593-F597 HydrophobicContact CD2-CZ 4.15Å; L593-F597 HydrophobicContact CG-CE1 4.1Å; L593-F597 HydrophobicContact CG-CE2 4.03Å; L593-F597 HydrophobicContact CG-CZ 3.79Å; L593-F597 WeakPolarHBondContact O-CG 3.26Å; L593-F597 PolarHBondContact O-N 3.01Å
594	I	97.5	Very high	98	Very high	11 Å²	11	43 Å²	43	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-40.3	179.3	-66.5	-67.7	0	0	0	111.6	T590 R592 E596 F597 F598 M614 V622	T590-I594 HydrophobicContact CG2-CG1 4.05Å; T590-I594 WeakPolarHBondContact O-CB 3.47Å; T590-I594 WeakPolarHBondContact O-CG1 3.32Å; T590-I594 PolarHBondContact O-N 2.72Å; R592-I594 VanDerWaalsContact C-N 3.35Å; R592-I594 PolarHBondContact O-N 2.86Å; I594-E596 VanDerWaalsContact C-N 3.29Å; I594-E596 PolarHBondContact O-N 2.81Å; I594-F597 HydrophobicContact CD1-CD2 4.4Å; I594-F597 PolarHBondContact O-N 3.09Å; I594-F598 HydrophobicContact CG2-CD1 4.28Å; I594-F598 HydrophobicContact CG2-CD2 4.01Å; I594-F598 HydrophobicContact CG2-CE1 3.72Å; I594-F598 HydrophobicContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact CG2-CE2 3.43Å; I594-F598 HydrophobicContact CG2-CG 4.42Å; I594-F598 HydrophobicContact CG2-CZ 3.26Å; I594-F598 WeakPolarHBondContact O-CB 3.34Å; I594-F598 WeakPolarHBondContact O-CD1 3.19Å; I594-F598 WeakPolarHBondContact O-CG 3.49Å; I594-F598 PolarHBondContact O-N 2.82Å; I594-M614 HydrophobicContact CD1-CE 3.97Å; I594-V622 HydrophobicContact CD1-CG1 4.33Å; I594-V622 HydrophobicContact CD1-CG2 4.47Å; I594-V622 HydrophobicContact CG1-CG1 4.09Å; I594-V622 HydrophobicContact CG2-CG2 4.19Å
595	E	98.2	Very high	97.9	Very high	65 Å²	65	41.5 Å²	41.5	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-34.9	172.9	169.2	61.4	-169.5	0	0	112	P415 G591 R592 R599	P415-E595 HydrophobicContact CB-CB 4.37Å; P415-E595 HydrophobicContact CB-CG 4.06Å; P415-E595 HydrophobicContact CG-CB 4.49Å; P415-E595 HydrophobicContact CG-CG 3.8Å; G591-E595 WeakPolarHBondContact O-CB 3.47Å; G591-E595 PolarHBondContact O-N 3.45Å; R592-E595 PolarHBondContact O-N 2.79Å; E595-R599 WeakPolarHBondContact O-CG 3.36Å; E595-R599 PolarHBondContact O-N 3.37Å; E595-R599 VanDerWaalsContact O-N 3.1Å; E595-R599 IonicContact OE1-CZ 3.52Å; E595-R599 VanDerWaalsContact OE1-CZ 3.27Å; E595-R599 IonicContact OE1-NE 3.24Å; E595-R599 PolarHBondContact OE1-NE 3.32Å; E595-R599 IonicContact OE1-NH2 3Å; E595-R599 PolarHBondContact OE1-NH2 2.99Å
596	E	98.5	Very high	97.8	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-44.4	174.5	-166.5	169.9	135.3	0	0	112.6	V414 P415 Y416 H417 H461 G463 R592 L593 I594 F598 R599 Q600	V414-E596 WeakPolarHBondContact CG1-OE2 3.35Å; P415-E596 HydrophobicContact CB-CB 4.13Å; P415-E596 HydrophobicContact CG-CB 4.02Å; P415-E596 HydrophobicContact CG-CG 4.49Å; Y416-E596 WeakPolarHBondContact CA-OE2 3.19Å; Y416-E596 WeakPolarHBondContact CB-OE2 3.03Å; Y416-E596 PolarHBondContact N-OE2 2.78Å; H417-E596 IonicContact CE1-OE1 3.98Å; H417-E596 PolarHBondContact CE1-OE1 3.47Å; H417-E596 IonicContact CG-OE1 2.75Å; H417-E596 PolarHBondContact N-OE2 3.32Å; H417-E596 VanDerWaalsContact N-OE2 3.15Å; H417-E596 IonicContact ND1-OE1 3.35Å; H417-E596 PolarHBondContact ND1-OE1 2.77Å; H417-E596 IonicContact ND1-OE2 2.67Å; H461-E596 IonicContact CE1-OE1 3.49Å; H461-E596 IonicContact ND1-OE1 3.77Å; G463-E596 VanDerWaalsContact CA-OE1 3.23Å; G463-E596 WeakPolarHBondContact CA-OE1 3.4Å; R592-E596 PolarHBondContact O-N 2.68Å; L593-E596 PolarHBondContact O-N 3.42Å; I594-E596 VanDerWaalsContact C-N 3.29Å; I594-E596 PolarHBondContact O-N 2.81Å; E596-F598 VanDerWaalsContact C-N 3.29Å; E596-F598 PolarHBondContact O-N 3.24Å; E596-R599 WeakPolarHBondContact O-CB 3.02Å; E596-R599 PolarHBondContact O-N 2.8Å; E596-R599 VanDerWaalsContact O-N 3.11Å; E596-Q600 PolarHBondContact O-N 3.01Å
597	F	97.9	Very high	97.7	Very high	54 Å²	54	53.7 Å²	53.7	24%	0.237	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-42	172.7	-69.9	-5.8	0	0	0	111.5	L593 I594 R599 Q600 G601 M614 C615	L593-F597 HydrophobicContact CD1-CD1 4.31Å; L593-F597 HydrophobicContact CD1-CE1 3.62Å; L593-F597 HydrophobicContact CD1-CE2 4.41Å; L593-F597 HydrophobicContact CD1-CZ 3.68Å; L593-F597 HydrophobicContact CD2-CE2 4.33Å; L593-F597 HydrophobicContact CD2-CZ 4.15Å; L593-F597 HydrophobicContact CG-CE1 4.1Å; L593-F597 HydrophobicContact CG-CE2 4.03Å; L593-F597 HydrophobicContact CG-CZ 3.79Å; L593-F597 WeakPolarHBondContact O-CG 3.26Å; L593-F597 PolarHBondContact O-N 3.01Å; I594-F597 HydrophobicContact CD1-CD2 4.4Å; I594-F597 PolarHBondContact O-N 3.09Å; F597-R599 VanDerWaalsContact C-N 3.31Å; F597-R599 PolarHBondContact O-N 3.49Å; F597-Q600 PolarHBondContact O-N 2.86Å; F597-Q600 VanDerWaalsContact O-N 3.15Å; F597-G601 PolarHBondContact O-N 2.83Å; F597-M614 HydrophobicContact CD2-CB 3.97Å; F597-M614 HydrophobicContact CE2-CB 4.33Å; F597-C615 WeakPolarHBondContact O-CA 3.41Å; F597-C615 VanDerWaalsContact O-CB 3.24Å; F597-C615 WeakPolarHBondContact O-CB 3.4Å
598	F	97.9	Very high	97.5	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-37	175.5	-66.4	-12.9	0	0	0	112.6	I594 E596 G601 D602 C615 R617 V620	I594-F598 HydrophobicContact CG2-CD1 4.28Å; I594-F598 HydrophobicContact CG2-CD2 4.01Å; I594-F598 HydrophobicContact CG2-CE1 3.72Å; I594-F598 HydrophobicContact CG2-CE2 3.43Å; I594-F598 VanDerWaalsContact CG2-CE2 3.43Å; I594-F598 HydrophobicContact CG2-CG 4.42Å; I594-F598 HydrophobicContact CG2-CZ 3.26Å; I594-F598 WeakPolarHBondContact O-CB 3.34Å; I594-F598 WeakPolarHBondContact O-CD1 3.19Å; I594-F598 WeakPolarHBondContact O-CG 3.49Å; I594-F598 PolarHBondContact O-N 2.82Å; E596-F598 VanDerWaalsContact C-N 3.29Å; E596-F598 PolarHBondContact O-N 3.24Å; F598-G601 PolarHBondContact O-N 3.47Å; F598-D602 PolarHBondContact O-N 3.08Å; F598-C615 WeakPolarHBondContact CA-O 3.27Å; F598-R617 HydrophobicContact CB-CB 4.29Å; F598-R617 HydrophobicContact CD1-CB 3.93Å; F598-R617 HydrophobicContact CD2-CB 3.78Å; F598-R617 HydrophobicContact CE1-CB 4.13Å; F598-R617 HydrophobicContact CE2-CB 3.97Å; F598-R617 HydrophobicContact CG-CB 3.75Å; F598-R617 HydrophobicContact CZ-CB 4.14Å; F598-V620 HydrophobicContact CE1-CB 4.07Å; F598-V620 HydrophobicContact CE1-CG1 4.37Å; F598-V620 HydrophobicContact CE1-CG2 4.09Å; F598-V620 HydrophobicContact CZ-CB 4.38Å
599	R	97.9	Very high	97.4	Very high	94 Å²	94	51.4 Å²	51.4	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-69.2	-33.2	173.3	-70.9	176.2	-172	-167.2	10.7	113.2	D413 E595 E596 F597 K603	D413-R599 PolarHBondContact O-NH1 3.09Å; E595-R599 WeakPolarHBondContact O-CG 3.36Å; E595-R599 PolarHBondContact O-N 3.37Å; E595-R599 VanDerWaalsContact O-N 3.1Å; E595-R599 IonicContact OE1-CZ 3.52Å; E595-R599 VanDerWaalsContact OE1-CZ 3.27Å; E595-R599 IonicContact OE1-NE 3.24Å; E595-R599 PolarHBondContact OE1-NE 3.32Å; E595-R599 IonicContact OE1-NH2 3Å; E595-R599 PolarHBondContact OE1-NH2 2.99Å; E596-R599 WeakPolarHBondContact O-CB 3.02Å; E596-R599 PolarHBondContact O-N 2.8Å; E596-R599 VanDerWaalsContact O-N 3.11Å; F597-R599 VanDerWaalsContact C-N 3.31Å; F597-R599 PolarHBondContact O-N 3.49Å; R599-K603 VanDerWaalsContact O-CG 3.3Å; R599-K603 WeakPolarHBondContact O-CG 3.33Å; R599-K603 PolarHBondContact O-N 3.07Å; R599-K603 VanDerWaalsContact O-N 3.16Å
600	Q	98.1	Very high	97.2	Very high	5 Å²	5	60.2 Å²	60.2	2%	0.023	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-44.9	168.7	-171.8	-175.9	-69.9	0	0	110.3	V464 T465 F468 E596 F597 D602 K603 E604 S612	V464-Q600 HydrophobicContact CB-CG 4.32Å; V464-Q600 HydrophobicContact CG1-CB 4.2Å; V464-Q600 HydrophobicContact CG1-CG 3.94Å; T465-Q600 PolarHBondContact OG1-NE2 3.28Å; T465-Q600 PolarHBondContact OG1-OE1 3.44Å; F468-Q600 HydrophobicContact CB-CG 4.28Å; F468-Q600 HydrophobicContact CD2-CG 3.67Å; F468-Q600 HydrophobicContact CE2-CG 4.27Å; F468-Q600 HydrophobicContact CG-CG 4.07Å; E596-Q600 PolarHBondContact O-N 3.01Å; F597-Q600 PolarHBondContact O-N 2.86Å; F597-Q600 VanDerWaalsContact O-N 3.15Å; Q600-D602 VanDerWaalsContact C-N 3.34Å; Q600-D602 PolarHBondContact O-N 3.44Å; Q600-K603 WeakPolarHBondContact O-CB 3.22Å; Q600-K603 PolarHBondContact O-N 3Å; Q600-K603 VanDerWaalsContact O-N 3.14Å; Q600-E604 HydrophobicContact CG-CG 4.38Å; Q600-E604 PolarHBondContact NE2-OE1 3.22Å; Q600-E604 WeakPolarHBondContact O-CG 3.25Å; Q600-E604 PolarHBondContact O-N 3.19Å; Q600-S612 PolarHBondContact NE2-OG 2.75Å
601	G	97.7	Very high	97.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-33.5	179.7	0	0	0	0	0	114.1	F597 F598 E604 R605 C615	F597-G601 PolarHBondContact O-N 2.83Å; F598-G601 PolarHBondContact O-N 3.47Å; G601-E604 PolarHBondContact O-N 2.86Å; G601-R605 VanDerWaalsContact O-CB 3.25Å; G601-R605 WeakPolarHBondContact O-CB 3.5Å; G601-R605 PolarHBondContact O-N 3.09Å; G601-C615 WeakPolarHBondContact CA-O 3.25Å
602	D	97.2	Very high	96.9	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-45.6	170.4	-63.3	-28.1	0	0	0	110.6	F598 Q600 E604 R605 E606 R617	F598-D602 PolarHBondContact O-N 3.08Å; Q600-D602 VanDerWaalsContact C-N 3.34Å; Q600-D602 PolarHBondContact O-N 3.44Å; D602-E604 PolarHBondContact O-N 2.81Å; D602-R605 WeakPolarHBondContact O-CB 3.32Å; D602-R605 PolarHBondContact O-N 3.31Å; D602-E606 WeakPolarHBondContact O-CG 3.24Å; D602-E606 PolarHBondContact O-N 2.93Å; D602-R617 IonicContact OD1-CZ 3.97Å; D602-R617 IonicContact OD1-NE 3.59Å; D602-R617 PolarHBondContact OD1-NE 2.97Å; D602-R617 IonicContact OD1-NH2 2.67Å; D602-R617 IonicContact OD2-CZ 2.6Å; D602-R617 IonicContact OD2-NE 2.76Å; D602-R617 IonicContact OD2-NH2 3.83Å; D602-R617 PolarHBondContact OD2-NH2 3.15Å
603	K	97.1	Very high	96.6	Very high	78 Å²	78	63.6 Å²	63.6	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-42.2	174.3	-68.9	167.4	-177.7	174.6	0	112.1	P462 V464 F468 R599 Q600 E606 L607	P462-K603 PolarHBondContact O-NZ 2.82Å; V464-K603 HydrophobicContact CG1-CD 3.81Å; F468-K603 HydrophobicContact CE2-CB 3.97Å; F468-K603 HydrophobicContact CZ-CB 3.91Å; F468-K603 HydrophobicContact CZ-CD 4.3Å; R599-K603 VanDerWaalsContact O-CG 3.3Å; R599-K603 WeakPolarHBondContact O-CG 3.33Å; R599-K603 PolarHBondContact O-N 3.07Å; R599-K603 VanDerWaalsContact O-N 3.16Å; Q600-K603 WeakPolarHBondContact O-CB 3.22Å; Q600-K603 PolarHBondContact O-N 3Å; Q600-K603 VanDerWaalsContact O-N 3.14Å; K603-E606 PolarHBondContact O-N 3.3Å; K603-L607 WeakPolarHBondContact O-CB 3.3Å; K603-L607 VanDerWaalsContact O-CG 3.28Å; K603-L607 WeakPolarHBondContact O-CG 3.48Å; K603-L607 PolarHBondContact O-N 3.25Å
604	E	97.8	Very high	96.3	Very high	2 Å²	2	65 Å²	65	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-42.9	176.3	-71.2	166.9	161.8	0	0	111.3	F468 Q600 G601 D602 L607 S608 L609 I611 S612	F468-E604 HydrophobicContact CD2-CG 3.63Å; F468-E604 HydrophobicContact CE2-CG 3.68Å; Q600-E604 HydrophobicContact CG-CG 4.38Å; Q600-E604 PolarHBondContact NE2-OE1 3.22Å; Q600-E604 WeakPolarHBondContact O-CG 3.25Å; Q600-E604 PolarHBondContact O-N 3.19Å; G601-E604 PolarHBondContact O-N 2.86Å; D602-E604 PolarHBondContact O-N 2.81Å; E604-L607 CarbonylContact O-C 3.55Å; E604-L607 PolarHBondContact O-N 2.84Å; E604-S608 PolarHBondContact O-N 3.21Å; E604-S608 VanDerWaalsContact O-N 3.08Å; E604-L609 HydrophobicContact CB-CB 4.25Å; E604-L609 PolarHBondContact O-N 3.14Å; E604-I611 HydrophobicContact CB-CG1 4.43Å; E604-I611 WeakPolarHBondContact OE2-CA 3.41Å; E604-S612 VanDerWaalsContact OE1-CB 3.29Å; E604-S612 WeakPolarHBondContact OE1-CB 3.4Å; E604-S612 PolarHBondContact OE1-OG 3Å; E604-S612 WeakPolarHBondContact OE2-CB 3.32Å; E604-S612 PolarHBondContact OE2-N 3.36Å
605	R	95.9	Very high	96.1	Very high	98 Å²	98	64.8 Å²	64.8	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-43.7	176	-169.7	-174	-56	-142.5	-4.4	112	G601 D602 S608 I611 D616 E618	G601-R605 VanDerWaalsContact O-CB 3.25Å; G601-R605 WeakPolarHBondContact O-CB 3.5Å; G601-R605 PolarHBondContact O-N 3.09Å; D602-R605 WeakPolarHBondContact O-CB 3.32Å; D602-R605 PolarHBondContact O-N 3.31Å; R605-S608 PolarHBondContact O-N 2.9Å; R605-I611 HydrophobicContact CB-CD1 4.09Å; R605-I611 HydrophobicContact CB-CG1 4.43Å; R605-I611 HydrophobicContact CG-CD1 4.34Å; R605-D616 IonicContact NH2-OD1 3.67Å; R605-D616 PolarHBondContact NH2-OD1 3.24Å; R605-E618 IonicContact CZ-OE1 3.63Å; R605-E618 IonicContact NH1-OE1 2.71Å; R605-E618 PolarHBondContact NH1-OE1 3.19Å; R605-E618 IonicContact NH2-OE1 3.67Å
606	E	96.6	Very high	95.9	Very high	160 Å²	160	63 Å²	63	75%	0.748	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-41.3	174.5	-74.3	178.5	-179.1	0	0	112.2	D602 K603 S608	D602-E606 WeakPolarHBondContact O-CG 3.24Å; D602-E606 PolarHBondContact O-N 2.93Å; K603-E606 PolarHBondContact O-N 3.3Å; E606-S608 PolarHBondContact O-N 3.43Å
607	L	95.9	Very high	95.7	Very high	100 Å²	100	67.8 Å²	67.8	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.1	177.6	-65.7	174.4	0	0	0	114	F468 T472 K603 E604 L609	F468-L607 HydrophobicContact CE2-CD1 4.37Å; F468-L607 HydrophobicContact CZ-CD1 4Å; T472-L607 HydrophobicContact CG2-CD1 3.67Å; K603-L607 WeakPolarHBondContact O-CB 3.3Å; K603-L607 VanDerWaalsContact O-CG 3.28Å; K603-L607 WeakPolarHBondContact O-CG 3.48Å; K603-L607 PolarHBondContact O-N 3.25Å; E604-L607 CarbonylContact O-C 3.55Å; E604-L607 PolarHBondContact O-N 2.84Å; L607-L609 HydrophobicContact CB-CD1 4.1Å; L607-L609 HydrophobicContact CB-CG 3.96Å; L607-L609 HydrophobicContact CD1-CD1 4.33Å; L607-L609 PolarHBondContact O-N 2.94Å
608	S	95.3	Very high	95.3	Very high	110 Å²	110	72.3 Å²	72.3	77%	0.769	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.6	-176	-55	0	0	0	0	113.9	E604 R605 E606	E604-S608 PolarHBondContact O-N 3.21Å; E604-S608 VanDerWaalsContact O-N 3.08Å; R605-S608 PolarHBondContact O-N 2.9Å; E606-S608 PolarHBondContact O-N 3.43Å
609	L	94.9	Very high	94.9	Very high	65 Å²	65	74.9 Å²	74.9	34%	0.34	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-85.2	163.5	171.8	-61.1	176.8	0	0	0	110.6	T472 E604 L607 I611	T472-L609 HydrophobicContact CG2-CD1 3.89Å; E604-L609 HydrophobicContact CB-CB 4.25Å; E604-L609 PolarHBondContact O-N 3.14Å; L607-L609 HydrophobicContact CB-CD1 4.1Å; L607-L609 HydrophobicContact CB-CG 3.96Å; L607-L609 HydrophobicContact CD1-CD1 4.33Å; L607-L609 PolarHBondContact O-N 2.94Å; L609-I611 PolarHBondContact O-N 3.46Å
610	E	94.7	Very high	94.4	Very high	186 Å²	186	71.9 Å²	71.9	87%	0.869	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-65.5	123.8	164.4	-175.4	170.5	-169.7	0	0	108.3	S612	E610-S612 PolarHBondContact O-N 3.05Å
611	I	95.4	Very high	94.1	Very high	50 Å²	50	76.4 Å²	76.4	26%	0.256	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.8	127	-179.5	-57.8	174	0	0	0	108.3	E604 R605 L609 C615 D616	E604-I611 HydrophobicContact CB-CG1 4.43Å; E604-I611 WeakPolarHBondContact OE2-CA 3.41Å; R605-I611 HydrophobicContact CB-CD1 4.09Å; R605-I611 HydrophobicContact CB-CG1 4.43Å; R605-I611 HydrophobicContact CG-CD1 4.34Å; L609-I611 PolarHBondContact O-N 3.46Å; I611-C615 HydrophobicContact CG2-CB 3.98Å; I611-D616 HydrophobicContact CG2-CB 3.91Å
612	S	95.1	Very high	93.8	Very high	27 Å²	27	78.1 Å²	78.1	19%	0.189	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-58.9	147.3	-178.8	-74.7	0	0	0	0	111	Q600 E604 E610 M614 C615	Q600-S612 PolarHBondContact NE2-OG 2.75Å; E604-S612 VanDerWaalsContact OE1-CB 3.29Å; E604-S612 WeakPolarHBondContact OE1-CB 3.4Å; E604-S612 PolarHBondContact OE1-OG 3Å; E604-S612 WeakPolarHBondContact OE2-CB 3.32Å; E604-S612 PolarHBondContact OE2-N 3.36Å; E610-S612 PolarHBondContact O-N 3.05Å; S612-M614 PolarHBondContact O-N 3.29Å; S612-C615 WeakPolarHBondContact O-CB 3.48Å; S612-C615 PolarHBondContact O-N 2.65Å
613	P	91.6	Very high	93.7	Very high	121 Å²	121	79.4 Å²	79.4	79%	0.786	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	142.1	169.2	-25.5	34.4	0	0	0	110.6	C615	P613-C615 PolarHBondContact O-N 3.34Å
614	M	90.7	Very high	93.5	Very high	59 Å²	59	80.4 Å²	80.4	29%	0.291	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-4.3	-175.6	-60	-59.1	-51.6	0	0	117.1	I594 F597 S612 V620 S625	I594-M614 HydrophobicContact CD1-CE 3.97Å; F597-M614 HydrophobicContact CD2-CB 3.97Å; F597-M614 HydrophobicContact CE2-CB 4.33Å; S612-M614 PolarHBondContact O-N 3.29Å; M614-V620 HydrophobicContact CE-CB 4.4Å; M614-V620 HydrophobicContact CE-CG1 3.37Å; M614-V620 HydrophobicContact CE-CG2 4.11Å; M614-V620 WeakPolarHBondContact O-CG2 3.36Å; M614-V620 HydrophobicContact SD-CG1 4.33Å; M614-V620 HydrophobicContact SD-CG2 4.35Å; M614-S625 WeakPolarHBondContact CE-OG 3.17Å; M614-S625 VanDerWaalsContact SD-CB 3.52Å
615	C	94.4	Very high	93.4	Very high	5 Å²	5	81.3 Å²	81.3	3%	0.034	42%	0.419	C	S	.	.			trans	-95.9	-11.6	-177.7	-61.1	0	0	0	0	114.2	F597 F598 G601 I611 S612 P613 R617	F597-C615 WeakPolarHBondContact O-CA 3.41Å; F597-C615 VanDerWaalsContact O-CB 3.24Å; F597-C615 WeakPolarHBondContact O-CB 3.4Å; F598-C615 WeakPolarHBondContact CA-O 3.27Å; G601-C615 WeakPolarHBondContact CA-O 3.25Å; I611-C615 HydrophobicContact CG2-CB 3.98Å; S612-C615 WeakPolarHBondContact O-CB 3.48Å; S612-C615 PolarHBondContact O-N 2.65Å; P613-C615 PolarHBondContact O-N 3.34Å; C615-R617 PolarHBondContact O-N 3.33Å
616	D	94.3	Very high	93.4	Very high	29 Å²	29	77 Å²	77	16%	0.155	40%	0.403	C	S	.	.			trans	-88.5	108.4	178.1	175.8	31.7	0	0	0	113.3	R605 I611 E618 S619 V620	R605-D616 IonicContact NH2-OD1 3.67Å; R605-D616 PolarHBondContact NH2-OD1 3.24Å; I611-D616 HydrophobicContact CG2-CB 3.91Å; D616-E618 PolarHBondContact O-N 3.27Å; D616-E618 PolarHBondContact OD1-N 3.03Å; D616-E618 VanDerWaalsContact OD1-N 3.1Å; D616-S619 WeakPolarHBondContact CB-OG 3.4Å; D616-S619 PolarHBondContact O-N 3.34Å; D616-S619 VanDerWaalsContact O-N 3.16Å; D616-S619 VanDerWaalsContact OD2-CB 3.29Å; D616-S619 WeakPolarHBondContact OD2-CB 3.38Å; D616-S619 PolarHBondContact OD2-N 2.9Å; D616-S619 PolarHBondContact OD2-OG 3.43Å; D616-V620 VanDerWaalsContact O-CG2 3.29Å; D616-V620 WeakPolarHBondContact O-CG2 3.31Å; D616-V620 PolarHBondContact O-N 3.37Å
617	R	92.8	Very high	93.4	Very high	105 Å²	105	69.8 Å²	69.8	40%	0.396	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-16	175.7	60.5	174.6	67.4	-106.3	6.2	115.5	F598 D602 C615	F598-R617 HydrophobicContact CB-CB 4.29Å; F598-R617 HydrophobicContact CD1-CB 3.93Å; F598-R617 HydrophobicContact CD2-CB 3.78Å; F598-R617 HydrophobicContact CE1-CB 4.13Å; F598-R617 HydrophobicContact CE2-CB 3.97Å; F598-R617 HydrophobicContact CG-CB 3.75Å; F598-R617 HydrophobicContact CZ-CB 4.14Å; D602-R617 IonicContact OD1-CZ 3.97Å; D602-R617 IonicContact OD1-NE 3.59Å; D602-R617 PolarHBondContact OD1-NE 2.97Å; D602-R617 IonicContact OD1-NH2 2.67Å; D602-R617 IonicContact OD2-CZ 2.6Å; D602-R617 IonicContact OD2-NE 2.76Å; D602-R617 IonicContact OD2-NH2 3.83Å; D602-R617 PolarHBondContact OD2-NH2 3.15Å; C615-R617 PolarHBondContact O-N 3.33Å
618	E	89.2	Confident	93.4	Very high	149 Å²	149	67.4 Å²	67.4	70%	0.696	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-20.7	-179.3	-66.8	172.1	-131.3	0	0	114.2	R605 D616	R605-E618 IonicContact CZ-OE1 3.63Å; R605-E618 IonicContact NH1-OE1 2.71Å; R605-E618 PolarHBondContact NH1-OE1 3.19Å; R605-E618 IonicContact NH2-OE1 3.67Å; D616-E618 PolarHBondContact O-N 3.27Å; D616-E618 PolarHBondContact OD1-N 3.03Å; D616-E618 VanDerWaalsContact OD1-N 3.1Å
619	S	89.3	Confident	93.5	Very high	84 Å²	84	65.1 Å²	65.1	59%	0.587	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-7.7	-171.1	59.4	0	0	0	0	115.8	D616 E621	D616-S619 WeakPolarHBondContact CB-OG 3.4Å; D616-S619 PolarHBondContact O-N 3.34Å; D616-S619 VanDerWaalsContact O-N 3.16Å; D616-S619 VanDerWaalsContact OD2-CB 3.29Å; D616-S619 WeakPolarHBondContact OD2-CB 3.38Å; D616-S619 PolarHBondContact OD2-N 2.9Å; D616-S619 PolarHBondContact OD2-OG 3.43Å; S619-E621 PolarHBondContact O-N 3.45Å
620	V	88.4	Confident	93.7	Very high	31 Å²	31	62 Å²	62	19%	0.188	32%	0.322	C	S	.	.			trans	-73.6	119.8	-175.7	165.6	0	0	0	0	114	F598 M614 D616 V622	F598-V620 HydrophobicContact CE1-CB 4.07Å; F598-V620 HydrophobicContact CE1-CG1 4.37Å; F598-V620 HydrophobicContact CE1-CG2 4.09Å; F598-V620 HydrophobicContact CZ-CB 4.38Å; M614-V620 HydrophobicContact CE-CB 4.4Å; M614-V620 HydrophobicContact CE-CG1 3.37Å; M614-V620 HydrophobicContact CE-CG2 4.11Å; M614-V620 WeakPolarHBondContact O-CG2 3.36Å; M614-V620 HydrophobicContact SD-CG1 4.33Å; M614-V620 HydrophobicContact SD-CG2 4.35Å; D616-V620 VanDerWaalsContact O-CG2 3.29Å; D616-V620 WeakPolarHBondContact O-CG2 3.31Å; D616-V620 PolarHBondContact O-N 3.37Å; V620-V622 HydrophobicContact CG1-CB 4.47Å; V620-V622 HydrophobicContact CG1-CG2 3.71Å; V620-V622 PolarHBondContact O-N 3.24Å
621	E	91.5	Very high	93.8	Very high	100 Å²	100	56 Å²	56	47%	0.467	30%	0.295	S	S	.	.			trans	-83.6	82.5	164.4	-64.8	-174.4	117.3	0	0	110	S619 E623 K624 S625	S619-E621 PolarHBondContact O-N 3.45Å; E621-E623 PolarHBondContact O-N 3.15Å; E621-K624 HydrophobicContact CB-CB 3.96Å; E621-K624 HydrophobicContact CB-CD 4.15Å; E621-K624 PolarHBondContact O-N 3.17Å; E621-K624 WeakPolarHBondContact OE2-CD 2.97Å; E621-K624 WeakPolarHBondContact OE2-CE 3.48Å; E621-K624 IonicContact OE2-NZ 2.8Å; E621-K624 PolarHBondContact OE2-NZ 3.19Å; E621-S625 PolarHBondContact O-N 2.94Å
622	V	92.5	Very high	93.8	Very high	36 Å²	36	60.6 Å²	60.6	22%	0.218	31%	0.314	C	S	.	.	H	α-helix	trans	-52	-51.4	-172.5	178.3	0	0	0	0	112.7	T590 I594 V620 K624 S625 Q626	T590-V622 HydrophobicContact CG2-CG1 3.96Å; I594-V622 HydrophobicContact CD1-CG1 4.33Å; I594-V622 HydrophobicContact CD1-CG2 4.47Å; I594-V622 HydrophobicContact CG1-CG1 4.09Å; I594-V622 HydrophobicContact CG2-CG2 4.19Å; V620-V622 HydrophobicContact CG1-CB 4.47Å; V620-V622 HydrophobicContact CG1-CG2 3.71Å; V620-V622 PolarHBondContact O-N 3.24Å; V622-K624 VanDerWaalsContact C-N 3.3Å; V622-K624 PolarHBondContact O-N 3.07Å; V622-S625 PolarHBondContact O-N 3.22Å; V622-S625 VanDerWaalsContact O-N 3.15Å; V622-S625 PolarHBondContact O-OG 3.01Å; V622-Q626 WeakPolarHBondContact O-CG 3.44Å; V622-Q626 PolarHBondContact O-N 2.87Å; V622-Q626 VanDerWaalsContact O-N 3.08Å
623	E	93.9	Very high	93.9	Very high	73 Å²	73	60.9 Å²	60.9	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-38.6	-174.3	-62.1	81	-179.4	0	0	111.8	E621 S625 Q626 V627 Y663 H666 I667	E621-E623 PolarHBondContact O-N 3.15Å; E623-S625 VanDerWaalsContact C-N 3.34Å; E623-Q626 PolarHBondContact O-N 3.33Å; E623-V627 WeakPolarHBondContact O-CG2 3.45Å; E623-V627 PolarHBondContact O-N 2.96Å; E623-Y663 HydrophobicContact CB-CD1 3.87Å; E623-Y663 HydrophobicContact CG-CD1 3.84Å; E623-Y663 HydrophobicContact CG-CE1 4.31Å; E623-H666 HydrophobicContact CG-CB 4.07Å; E623-I667 HydrophobicContact CB-CD1 4.27Å; E623-I667 HydrophobicContact CB-CG1 3.58Å
624	K	94	Very high	94.2	Very high	99 Å²	99	55.1 Å²	55.1	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-33.8	177.1	-175.5	-168.2	179.2	-167.1	0	112	E621 V622 Q626 S628 I667	E621-K624 HydrophobicContact CB-CB 3.96Å; E621-K624 HydrophobicContact CB-CD 4.15Å; E621-K624 PolarHBondContact O-N 3.17Å; E621-K624 WeakPolarHBondContact OE2-CD 2.97Å; E621-K624 WeakPolarHBondContact OE2-CE 3.48Å; E621-K624 IonicContact OE2-NZ 2.8Å; E621-K624 PolarHBondContact OE2-NZ 3.19Å; V622-K624 VanDerWaalsContact C-N 3.3Å; V622-K624 PolarHBondContact O-N 3.07Å; K624-Q626 VanDerWaalsContact C-N 3.34Å; K624-S628 WeakPolarHBondContact O-CB 3.41Å; K624-S628 PolarHBondContact O-N 2.73Å; K624-S628 PolarHBondContact O-OG 3.17Å; K624-I667 VanDerWaalsContact CA-CD1 3.47Å; K624-I667 HydrophobicContact CB-CD1 3.88Å; K624-I667 HydrophobicContact CB-CG1 4.47Å
625	S	94.4	Very high	94.5	Very high	20 Å²	20	54.7 Å²	54.7	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-39.6	173.6	95.4	0	0	0	0	111.2	M614 E621 V622 E623 S628 F629	M614-S625 WeakPolarHBondContact CE-OG 3.17Å; M614-S625 VanDerWaalsContact SD-CB 3.52Å; E621-S625 PolarHBondContact O-N 2.94Å; V622-S625 PolarHBondContact O-N 3.22Å; V622-S625 VanDerWaalsContact O-N 3.15Å; V622-S625 PolarHBondContact O-OG 3.01Å; E623-S625 VanDerWaalsContact C-N 3.34Å; S625-S628 PolarHBondContact O-N 3.08Å; S625-F629 VanDerWaalsContact O-CB 3.23Å; S625-F629 WeakPolarHBondContact O-CB 3.21Å; S625-F629 PolarHBondContact O-N 3.17Å
626	Q	96.9	Very high	94.6	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-47.1	176.5	-62.9	-45.3	-85.5	0	0	111.6	Y586 T590 V622 E623 K624 S628 F629 I630 Y663	Y586-Q626 WeakPolarHBondContact OH-CB 3.13Å; Y586-Q626 PolarHBondContact OH-OE1 3.37Å; T590-Q626 VanDerWaalsContact CG2-CD 3.48Å; T590-Q626 HydrophobicContact CG2-CG 3.8Å; T590-Q626 PolarHBondContact OG1-OE1 3.32Å; T590-Q626 VanDerWaalsContact OG1-OE1 3.07Å; V622-Q626 WeakPolarHBondContact O-CG 3.44Å; V622-Q626 PolarHBondContact O-N 2.87Å; V622-Q626 VanDerWaalsContact O-N 3.08Å; E623-Q626 PolarHBondContact O-N 3.33Å; K624-Q626 VanDerWaalsContact C-N 3.34Å; Q626-S628 VanDerWaalsContact C-N 3.34Å; Q626-S628 PolarHBondContact O-N 3.18Å; Q626-F629 PolarHBondContact O-N 3.09Å; Q626-I630 WeakPolarHBondContact O-CG1 3.43Å; Q626-I630 PolarHBondContact O-N 3.01Å; Q626-Y663 HydrophobicContact CB-CD1 4Å; Q626-Y663 HydrophobicContact CB-CD2 4.06Å; Q626-Y663 HydrophobicContact CB-CE1 4.17Å; Q626-Y663 HydrophobicContact CB-CE2 4.25Å; Q626-Y663 HydrophobicContact CB-CG 3.94Å; Q626-Y663 HydrophobicContact CG-CD1 4.12Å; Q626-Y663 HydrophobicContact CG-CE1 3.79Å; Q626-Y663 HydrophobicContact CG-CE2 4.24Å; Q626-Y663 HydrophobicContact CG-CG 4.46Å
627	V	96.9	Very high	94.7	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-46.8	174.6	176	0	0	0	0	111.1	E623 F629 I630 D631 E664 I667	E623-V627 WeakPolarHBondContact O-CG2 3.45Å; E623-V627 PolarHBondContact O-N 2.96Å; V627-F629 VanDerWaalsContact C-N 3.35Å; V627-F629 PolarHBondContact O-N 3.31Å; V627-I630 PolarHBondContact O-N 2.88Å; V627-D631 WeakPolarHBondContact O-CB 3.42Å; V627-D631 VanDerWaalsContact O-CG 3.24Å; V627-D631 PolarHBondContact O-N 3.03Å; V627-E664 HydrophobicContact CG2-CB 3.93Å; V627-I667 HydrophobicContact CB-CD1 4.47Å; V627-I667 HydrophobicContact CG2-CD1 3.87Å
628	S	96	Very high	94.9	Very high	49 Å²	49	49.1 Å²	49.1	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-38.6	179.7	-53	0	0	0	0	112.3	K624 S625 Q626 F632	K624-S628 WeakPolarHBondContact O-CB 3.41Å; K624-S628 PolarHBondContact O-N 2.73Å; K624-S628 PolarHBondContact O-OG 3.17Å; S625-S628 PolarHBondContact O-N 3.08Å; Q626-S628 VanDerWaalsContact C-N 3.34Å; Q626-S628 PolarHBondContact O-N 3.18Å; S628-F632 WeakPolarHBondContact O-CB 3.13Å; S628-F632 WeakPolarHBondContact O-CD2 3.23Å; S628-F632 PolarHBondContact O-N 2.91Å
629	F	97	Very high	95.3	Very high	63 Å²	63	46.1 Å²	46.1	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-39	177.5	-177.7	-120.8	0	0	0	111.8	L576 P579 S625 Q626 V627 V633 C634	L576-F629 HydrophobicContact CD2-CZ 4.06Å; P579-F629 HydrophobicContact CG-CD1 4.08Å; P579-F629 HydrophobicContact CG-CE1 3.94Å; S625-F629 VanDerWaalsContact O-CB 3.23Å; S625-F629 WeakPolarHBondContact O-CB 3.21Å; S625-F629 PolarHBondContact O-N 3.17Å; Q626-F629 PolarHBondContact O-N 3.09Å; V627-F629 VanDerWaalsContact C-N 3.35Å; V627-F629 PolarHBondContact O-N 3.31Å; F629-V633 HydrophobicContact CD2-CB 3.94Å; F629-V633 HydrophobicContact CD2-CG1 4.42Å; F629-V633 HydrophobicContact CD2-CG2 3.94Å; F629-V633 HydrophobicContact CE2-CB 3.94Å; F629-V633 HydrophobicContact CE2-CG1 3.92Å; F629-V633 HydrophobicContact CE2-CG2 4.17Å; F629-V633 WeakPolarHBondContact O-CA 3.47Å; F629-V633 VanDerWaalsContact O-CB 3.3Å; F629-V633 WeakPolarHBondContact O-CB 3.42Å; F629-V633 PolarHBondContact O-N 3.21Å; F629-C634 WeakPolarHBondContact CE1-SG 3.39Å; F629-C634 PolarHBondContact O-N 3.41Å; F629-C634 VanDerWaalsContact O-N 3.09Å
630	I	98.1	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-66.6	-54.9	173.9	-63	164.5	0	0	0	110.3	P579 Y586 Q626 V627 F632 C634 H635 L656 R660	P579-I630 HydrophobicContact CB-CD1 4.06Å; P579-I630 HydrophobicContact CB-CG1 3.76Å; P579-I630 HydrophobicContact CG-CG1 4.45Å; Y586-I630 HydrophobicContact CE1-CD1 4.14Å; Q626-I630 WeakPolarHBondContact O-CG1 3.43Å; Q626-I630 PolarHBondContact O-N 3.01Å; V627-I630 PolarHBondContact O-N 2.88Å; I630-F632 VanDerWaalsContact C-N 3.28Å; I630-F632 PolarHBondContact O-N 3.17Å; I630-C634 PolarHBondContact O-N 3.28Å; I630-H635 HydrophobicContact CG2-CB 4.13Å; I630-H635 WeakPolarHBondContact O-CB 3.45Å; I630-H635 PolarHBondContact O-N 2.76Å; I630-L656 HydrophobicContact CB-CD1 4.46Å; I630-L656 HydrophobicContact CD1-CD1 4.31Å; I630-L656 HydrophobicContact CG1-CD1 4Å; I630-L656 HydrophobicContact CG2-CD1 3.67Å; I630-L656 HydrophobicContact CG2-CD2 4.33Å; I630-L656 HydrophobicContact CG2-CG 3.84Å; I630-R660 HydrophobicContact CB-CB 4.39Å; I630-R660 HydrophobicContact CB-CG 4.12Å; I630-R660 HydrophobicContact CD1-CB 3.77Å; I630-R660 HydrophobicContact CD1-CG 4.23Å; I630-R660 HydrophobicContact CG2-CB 3.91Å; I630-R660 HydrophobicContact CG2-CG 3.82Å
631	D	97.5	Very high	95.8	Very high	59 Å²	59	40.9 Å²	40.9	32%	0.316	20%	0.203	S	C	.	.	I	π-helix	trans	-59.9	-34	-174.4	-69.5	-4.1	0	0	0	112.9	V627 R660	V627-D631 WeakPolarHBondContact O-CB 3.42Å; V627-D631 VanDerWaalsContact O-CG 3.24Å; V627-D631 PolarHBondContact O-N 3.03Å; D631-R660 IonicContact OD1-CZ 3.52Å; D631-R660 IonicContact OD1-NE 2.95Å; D631-R660 PolarHBondContact OD1-NE 3.28Å; D631-R660 IonicContact OD1-NH2 2.75Å; D631-R660 PolarHBondContact OD1-NH2 3.37Å; D631-R660 IonicContact OD2-CZ 3.85Å; D631-R660 IonicContact OD2-NE 3.27Å; D631-R660 IonicContact OD2-NH2 2.66Å; D631-R660 PolarHBondContact OD2-NH2 2.83Å
632	F	95.8	Very high	95.9	Very high	146 Å²	146	36.3 Å²	36.3	64%	0.64	18%	0.182	S	C	*	.	I	π-helix	trans	-108	-14.2	-174.3	-61.2	-59.2	0	0	0	116.2	S628 I630	S628-F632 WeakPolarHBondContact O-CB 3.13Å; S628-F632 WeakPolarHBondContact O-CD2 3.23Å; S628-F632 PolarHBondContact O-N 2.91Å; I630-F632 VanDerWaalsContact C-N 3.28Å; I630-F632 PolarHBondContact O-N 3.17Å
633	V	96.5	Very high	95.9	Very high	33 Å²	33	37.8 Å²	37.8	20%	0.2	19%	0.189	C	C	.	.	I	π-helix	trans	-128.9	-61.1	-176.2	-173	0	0	0	0	111.9	L576 F629 L637	L576-V633 HydrophobicContact CD1-CG1 3.94Å; F629-V633 HydrophobicContact CD2-CB 3.94Å; F629-V633 HydrophobicContact CD2-CG1 4.42Å; F629-V633 HydrophobicContact CD2-CG2 3.94Å; F629-V633 HydrophobicContact CE2-CB 3.94Å; F629-V633 HydrophobicContact CE2-CG1 3.92Å; F629-V633 HydrophobicContact CE2-CG2 4.17Å; F629-V633 WeakPolarHBondContact O-CA 3.47Å; F629-V633 VanDerWaalsContact O-CB 3.3Å; F629-V633 WeakPolarHBondContact O-CB 3.42Å; F629-V633 PolarHBondContact O-N 3.21Å; V633-L637 WeakPolarHBondContact O-CB 3.46Å
634	C	97.3	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-74.1	-42.2	-172.4	-63.7	0	0	0	0	113.1	F629 I630 L637 W638 L656	F629-C634 WeakPolarHBondContact CE1-SG 3.39Å; F629-C634 PolarHBondContact O-N 3.41Å; F629-C634 VanDerWaalsContact O-N 3.09Å; I630-C634 PolarHBondContact O-N 3.28Å; C634-L637 PolarHBondContact O-N 3.1Å; C634-W638 WeakPolarHBondContact O-CB 3.28Å; C634-W638 VanDerWaalsContact O-CD1 3.3Å; C634-W638 PolarHBondContact O-N 3.47Å; C634-L656 HydrophobicContact CB-CD1 4.3Å; C634-L656 HydrophobicContact CB-CD2 4.45Å
635	H	97.1	Very high	95.5	Very high	50 Å²	50	29.7 Å²	29.7	23%	0.231	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-50.1	-179	-174.1	-61.3	0	0	0	112.1	I630 L637 W638 E639 L656 E657	I630-H635 HydrophobicContact CG2-CB 4.13Å; I630-H635 WeakPolarHBondContact O-CB 3.45Å; I630-H635 PolarHBondContact O-N 2.76Å; H635-L637 PolarHBondContact O-N 3.38Å; H635-W638 PolarHBondContact O-N 2.73Å; H635-E639 IonicContact ND1-OE2 3.21Å; H635-E639 WeakPolarHBondContact O-CB 3.28Å; H635-E639 PolarHBondContact O-N 2.89Å; H635-L656 HydrophobicContact CB-CD2 4.18Å; H635-E657 IonicContact NE2-OE1 2.84Å
636	P	97.2	Very high	95.1	Very high	22 Å²	22	34 Å²	34	14%	0.143	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-33.6	177.1	-26.3	36.1	0	0	0	113.9	L537 T640	L537-P636 WeakPolarHBondContact CD1-O 3.33Å; L537-P636 HydrophobicContact CD2-CB 3.98Å; P636-T640 WeakPolarHBondContact O-CB 3.44Å; P636-T640 PolarHBondContact O-N 3.36Å; P636-T640 PolarHBondContact O-OG1 2.98Å
637	L	96.8	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-56.3	176.3	179.9	65.1	0	0	0	112.1	L540 L576 V633 C634 H635 E639 T640 W641	L540-L637 HydrophobicContact CD2-CD1 4.4Å; L576-L637 HydrophobicContact CB-CD2 4.11Å; L576-L637 HydrophobicContact CD1-CD2 3.99Å; V633-L637 WeakPolarHBondContact O-CB 3.46Å; C634-L637 PolarHBondContact O-N 3.1Å; H635-L637 PolarHBondContact O-N 3.38Å; L637-E639 VanDerWaalsContact C-N 3.29Å; L637-E639 PolarHBondContact O-N 3.5Å; L637-T640 PolarHBondContact O-N 3.17Å; L637-W641 WeakPolarHBondContact O-CB 3.48Å; L637-W641 PolarHBondContact O-N 3.25Å
638	W	97.4	Very high	94	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-31.2	-178.5	-80.2	111	0	0	0	112.7	W359 L432 C573 L576 C634 H635 W641 C642 I652 L653 L656	W359-W638 AromaticContact CH2-CH2 3.55Å; W359-W638 HydrophobicContact CH2-CH2 3.55Å; W359-W638 AromaticContact CH2-CZ2 3.81Å; W359-W638 HydrophobicContact CH2-CZ2 3.81Å; W359-W638 HydrophobicContact CH2-CZ3 4.43Å; W359-W638 HydrophobicContact CZ2-CH2 4.4Å; W359-W638 HydrophobicContact CZ2-CZ2 4.41Å; W359-W638 HydrophobicContact CZ3-CH2 4.17Å; L432-W638 HydrophobicContact CD1-CH2 4.17Å; L432-W638 HydrophobicContact CD2-CH2 3.98Å; L432-W638 HydrophobicContact CD2-CZ3 3.98Å; C573-W638 HydrophobicContact CB-CH2 3.85Å; C573-W638 HydrophobicContact CB-CZ2 3.95Å; C573-W638 HydrophobicContact CB-CZ3 4.27Å; C573-W638 WeakPolarHBondContact O-CZ2 3.36Å; L576-W638 PolarHBondContact O-NE1 3.45Å; L576-W638 VanDerWaalsContact O-NE1 3.08Å; C634-W638 WeakPolarHBondContact O-CB 3.28Å; C634-W638 VanDerWaalsContact O-CD1 3.3Å; C634-W638 PolarHBondContact O-N 3.47Å; H635-W638 PolarHBondContact O-N 2.73Å; W638-W641 HydrophobicContact CE3-CB 4.34Å; W638-W641 AromaticContact CE3-CD1 3.88Å; W638-W641 HydrophobicContact CE3-CG 4.28Å; W638-W641 AromaticContact CZ3-CD1 3.65Å; W638-W641 HydrophobicContact CZ3-CG 4.23Å; W638-C642 VanDerWaalsContact O-CB 3.24Å; W638-C642 WeakPolarHBondContact O-CB 3.39Å; W638-C642 PolarHBondContact O-N 3.07Å; W638-I652 HydrophobicContact CD2-CG2 3.8Å; W638-I652 HydrophobicContact CE3-CB 4.37Å; W638-I652 HydrophobicContact CE3-CD1 4.42Å; W638-I652 HydrophobicContact CE3-CG2 3.59Å; W638-I652 HydrophobicContact CH2-CD1 4.2Å; W638-I652 HydrophobicContact CH2-CG2 4.06Å; W638-I652 HydrophobicContact CZ2-CG2 4.23Å; W638-I652 HydrophobicContact CZ3-CB 4.47Å; W638-I652 HydrophobicContact CZ3-CD1 3.73Å; W638-I652 HydrophobicContact CZ3-CG2 3.74Å; W638-L653 HydrophobicContact CB-CD2 3.88Å; W638-L656 HydrophobicContact CB-CD2 3.92Å; W638-L656 HydrophobicContact CG-CD2 4.23Å
639	E	96.1	Very high	93.7	Very high	85 Å²	85	37.4 Å²	37.4	40%	0.397	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-52.9	171.5	178.6	-176.1	-150.5	0	0	110.1	H635 L637 W641 C642 D643 L653	H635-E639 IonicContact ND1-OE2 3.21Å; H635-E639 WeakPolarHBondContact O-CB 3.28Å; H635-E639 PolarHBondContact O-N 2.89Å; L637-E639 VanDerWaalsContact C-N 3.29Å; L637-E639 PolarHBondContact O-N 3.5Å; E639-W641 PolarHBondContact O-N 3.43Å; E639-C642 PolarHBondContact O-N 2.74Å; E639-D643 WeakPolarHBondContact O-CB 3.47Å; E639-D643 PolarHBondContact O-N 3.32Å; E639-L653 HydrophobicContact CB-CD2 4.47Å
640	T	93.9	Very high	93.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-38.6	179.6	-48.8	0	0	0	0	111.6	L537 L540 R541 V544 P636 L637 D643 L644	L537-T640 HydrophobicContact CD1-CG2 4.48Å; L537-T640 WeakPolarHBondContact CD1-OG1 3.46Å; L540-T640 HydrophobicContact CB-CG2 4.07Å; L540-T640 HydrophobicContact CD2-CG2 3.78Å; L540-T640 HydrophobicContact CG-CG2 3.65Å; R541-T640 HydrophobicContact CB-CG2 4.21Å; R541-T640 HydrophobicContact CG-CG2 3.4Å; R541-T640 VanDerWaalsContact CG-CG2 3.4Å; R541-T640 PolarHBondContact NE-OG1 3.18Å; V544-T640 HydrophobicContact CG2-CG2 4.05Å; P636-T640 WeakPolarHBondContact O-CB 3.44Å; P636-T640 PolarHBondContact O-N 3.36Å; P636-T640 PolarHBondContact O-OG1 2.98Å; L637-T640 PolarHBondContact O-N 3.17Å; T640-D643 WeakPolarHBondContact O-CB 3.47Å; T640-D643 PolarHBondContact O-N 3.18Å; T640-L644 PolarHBondContact O-N 3.43Å; T640-L644 VanDerWaalsContact O-N 3.09Å
641	W	95.1	Very high	93.3	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-43.4	174.2	179.7	-89.8	0	0	0	111.8	L432 L438 L540 I566 N569 M570 L637 W638 E639 D643 L644 V645	L432-W641 HydrophobicContact CB-CZ2 4.07Å; L432-W641 HydrophobicContact CD1-CZ2 4.41Å; L432-W641 HydrophobicContact CD2-CZ2 4.19Å; L432-W641 HydrophobicContact CG-CZ2 4.45Å; L438-W641 HydrophobicContact CD1-CH2 4.15Å; L438-W641 HydrophobicContact CD1-CZ2 4.15Å; L540-W641 HydrophobicContact CD1-CE3 4.46Å; L540-W641 HydrophobicContact CD2-CB 4.4Å; I566-W641 HydrophobicContact CG2-CH2 4.02Å; I566-W641 HydrophobicContact CG2-CZ3 4.02Å; N569-W641 HydrophobicContact CB-CE3 4.45Å; N569-W641 HydrophobicContact CB-CZ3 4.34Å; M570-W641 HydrophobicContact CB-CH2 3.65Å; M570-W641 HydrophobicContact CB-CZ3 3.9Å; M570-W641 HydrophobicContact CE-CH2 3.75Å; M570-W641 HydrophobicContact CE-CZ2 4.25Å; M570-W641 HydrophobicContact CG-CH2 3.85Å; M570-W641 HydrophobicContact CG-CZ2 4.37Å; L637-W641 WeakPolarHBondContact O-CB 3.48Å; L637-W641 PolarHBondContact O-N 3.25Å; W638-W641 HydrophobicContact CE3-CB 4.34Å; W638-W641 AromaticContact CE3-CD1 3.88Å; W638-W641 HydrophobicContact CE3-CG 4.28Å; W638-W641 AromaticContact CZ3-CD1 3.65Å; W638-W641 HydrophobicContact CZ3-CG 4.23Å; E639-W641 PolarHBondContact O-N 3.43Å; W641-D643 VanDerWaalsContact C-N 3.35Å; W641-D643 PolarHBondContact O-N 3.02Å; W641-L644 HydrophobicContact CE3-CD2 4.46Å; W641-L644 HydrophobicContact CZ3-CD2 4.35Å; W641-L644 VanDerWaalsContact O-CB 3.31Å; W641-L644 WeakPolarHBondContact O-CB 3.21Å; W641-L644 PolarHBondContact O-N 3.48Å; W641-L644 VanDerWaalsContact O-N 3.1Å; W641-V645 HydrophobicContact CZ2-CG1 4.15Å; W641-V645 PolarHBondContact O-N 3.15Å; W641-V645 VanDerWaalsContact O-N 3.07Å
642	C	93.6	Very high	93.3	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-43.7	176.5	-170.5	0	0	0	0	111.3	W638 E639 L644 V645 H646 A649 L653	W638-C642 VanDerWaalsContact O-CB 3.24Å; W638-C642 WeakPolarHBondContact O-CB 3.39Å; W638-C642 PolarHBondContact O-N 3.07Å; E639-C642 PolarHBondContact O-N 2.74Å; C642-L644 PolarHBondContact O-N 3.41Å; C642-V645 CarbonylContact O-C 3.58Å; C642-V645 PolarHBondContact O-N 3.39Å; C642-V645 VanDerWaalsContact O-N 3.14Å; C642-H646 VanDerWaalsContact O-CA 3.28Å; C642-H646 WeakPolarHBondContact O-CA 3.42Å; C642-H646 VanDerWaalsContact O-CB 3.29Å; C642-H646 WeakPolarHBondContact O-CB 3.39Å; C642-H646 PolarHBondContact O-N 2.91Å; C642-A649 HydrophobicContact CB-CB 4.15Å; C642-L653 HydrophobicContact CB-CD1 3.5Å; C642-L653 HydrophobicContact CB-CG 3.99Å
643	D	91.5	Very high	93.3	Very high	66 Å²	66	34 Å²	34	35%	0.353	18%	0.182	S	C	.	.	H	α-helix	trans	-55.3	-35.9	172.7	-120	-1.6	0	0	0	112.6	V544 K548 E639 T640 W641	V544-D643 HydrophobicContact CG1-CB 3.77Å; V544-D643 HydrophobicContact CG2-CB 4.18Å; K548-D643 IonicContact NZ-OD1 3.42Å; K548-D643 PolarHBondContact NZ-OD1 3.05Å; K548-D643 IonicContact NZ-OD2 3.86Å; K548-D643 PolarHBondContact NZ-OD2 2.81Å; E639-D643 WeakPolarHBondContact O-CB 3.47Å; E639-D643 PolarHBondContact O-N 3.32Å; T640-D643 WeakPolarHBondContact O-CB 3.47Å; T640-D643 PolarHBondContact O-N 3.18Å; W641-D643 VanDerWaalsContact C-N 3.35Å; W641-D643 PolarHBondContact O-N 3.02Å
644	L	89.4	Confident	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-43.6	176.1	-172.3	74.9	0	0	0	112.3	L540 M543 V544 K547 L555 I566 T640 W641 C642	L540-L644 HydrophobicContact CD1-CD2 3.79Å; M543-L644 HydrophobicContact CG-CD1 4.26Å; M543-L644 HydrophobicContact SD-CD1 4.21Å; V544-L644 HydrophobicContact CG2-CB 3.83Å; V544-L644 HydrophobicContact CG2-CD1 4Å; K547-L644 PolarHBondContact NZ-O 3.39Å; L555-L644 HydrophobicContact CD1-CD1 3.86Å; L555-L644 HydrophobicContact CD1-CG 3.94Å; L555-L644 HydrophobicContact CD2-CD1 3.69Å; L555-L644 HydrophobicContact CG-CD1 4.39Å; I566-L644 HydrophobicContact CD1-CD2 4.2Å; I566-L644 HydrophobicContact CG1-CD2 4.19Å; I566-L644 HydrophobicContact CG2-CD2 4.18Å; T640-L644 PolarHBondContact O-N 3.43Å; T640-L644 VanDerWaalsContact O-N 3.09Å; W641-L644 HydrophobicContact CE3-CD2 4.46Å; W641-L644 HydrophobicContact CZ3-CD2 4.35Å; W641-L644 VanDerWaalsContact O-CB 3.31Å; W641-L644 WeakPolarHBondContact O-CB 3.21Å; W641-L644 PolarHBondContact O-N 3.48Å; W641-L644 VanDerWaalsContact O-N 3.1Å; C642-L644 PolarHBondContact O-N 3.41Å
645	V	90.4	Very high	93.4	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-112	15.1	-172.4	-53	0	0	0	0	115.1	A435 A437 L438 W641 C642 C648 A649	A435-V645 HydrophobicContact CB-CB 4.09Å; A435-V645 HydrophobicContact CB-CG1 4.28Å; A435-V645 HydrophobicContact CB-CG2 4.43Å; A437-V645 HydrophobicContact CB-CB 4.29Å; L438-V645 HydrophobicContact CD1-CG1 3.94Å; L438-V645 HydrophobicContact CD2-CG1 4.38Å; L438-V645 HydrophobicContact CG-CG1 4.02Å; W641-V645 HydrophobicContact CZ2-CG1 4.15Å; W641-V645 PolarHBondContact O-N 3.15Å; W641-V645 VanDerWaalsContact O-N 3.07Å; C642-V645 CarbonylContact O-C 3.58Å; C642-V645 PolarHBondContact O-N 3.39Å; C642-V645 VanDerWaalsContact O-N 3.14Å; V645-C648 HydrophobicContact CG2-CB 4.5Å; V645-C648 WeakPolarHBondContact O-CB 3.33Å; V645-C648 PolarHBondContact O-N 3.42Å; V645-A649 HydrophobicContact CG2-CB 3.63Å
646	H	86.1	Confident	93.5	Very high	110 Å²	110	34.6 Å²	34.6	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.6	-177.6	-174.8	87.2	0	0	0	111.4	C642	C642-H646 VanDerWaalsContact O-CA 3.28Å; C642-H646 WeakPolarHBondContact O-CA 3.42Å; C642-H646 VanDerWaalsContact O-CB 3.29Å; C642-H646 WeakPolarHBondContact O-CB 3.39Å; C642-H646 PolarHBondContact O-N 2.91Å
647	P	87.1	Confident	93.5	Very high	84 Å²	84	38.2 Å²	38.2	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.9	0.3	9.7	36.3	-36.5	0	0	0	115.8	A649 Q650	P647-A649 VanDerWaalsContact C-N 3.25Å; P647-A649 PolarHBondContact O-N 2.8Å; P647-Q650 PolarHBondContact O-N 3.44Å; P647-Q650 VanDerWaalsContact O-N 3.16Å
648	C	84.1	Confident	93.6	Very high	51 Å²	51	44 Å²	44	35%	0.345	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.7	-162.6	-60.1	0	0	0	0	115.3	A435 V645	A435-C648 HydrophobicContact CB-CB 4.08Å; V645-C648 HydrophobicContact CG2-CB 4.5Å; V645-C648 WeakPolarHBondContact O-CB 3.33Å; V645-C648 PolarHBondContact O-N 3.42Å
649	A	89.4	Confident	93.6	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6.7	-175.7	0	0	0	0	0	114.4	C642 V645 P647 L651 I652 L653	C642-A649 HydrophobicContact CB-CB 4.15Å; V645-A649 HydrophobicContact CG2-CB 3.63Å; P647-A649 VanDerWaalsContact C-N 3.25Å; P647-A649 PolarHBondContact O-N 2.8Å; A649-L651 VanDerWaalsContact C-N 3.31Å; A649-L651 PolarHBondContact O-N 2.87Å; A649-I652 HydrophobicContact CB-CD1 4.06Å; A649-I652 VanDerWaalsContact O-CB 3.3Å; A649-I652 WeakPolarHBondContact O-CB 3.44Å; A649-I652 PolarHBondContact O-N 3.1Å; A649-L653 PolarHBondContact O-N 2.61Å
650	Q	93.8	Very high	93.7	Very high	72 Å²	72	42.9 Å²	42.9	34%	0.336	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-42.5	-176.5	-171.6	60.8	52	0	0	112.4	P647 I652 L653 D654	P647-Q650 PolarHBondContact O-N 3.44Å; P647-Q650 VanDerWaalsContact O-N 3.16Å; Q650-I652 PolarHBondContact O-N 2.84Å; Q650-I652 VanDerWaalsContact O-N 3.1Å; Q650-L653 WeakPolarHBondContact O-CB 3.43Å; Q650-L653 PolarHBondContact O-N 3.39Å; Q650-D654 PolarHBondContact NE2-OD1 2.8Å; Q650-D654 PolarHBondContact O-N 2.78Å
651	L	94.2	Very high	93.9	Very high	107 Å²	107	46.8 Å²	46.8	56%	0.56	25%	0.246	S	C	*	.	H	α-helix	trans	-55.1	-30.7	175.5	178.9	64	0	0	0	113.3	A649 T655	A649-L651 VanDerWaalsContact C-N 3.31Å; A649-L651 PolarHBondContact O-N 2.87Å; L651-T655 WeakPolarHBondContact O-CB 3.45Å; L651-T655 PolarHBondContact O-N 3.3Å; L651-T655 PolarHBondContact O-OG1 3.45Å
652	I	96.9	Very high	94	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-72.7	-42.3	179.7	-52.7	178.3	0	0	0	109.9	W359 F431 L432 A580 W638 A649 Q650 L656	W359-I652 HydrophobicContact CD2-CD1 4.07Å; W359-I652 HydrophobicContact CD2-CG1 3.94Å; W359-I652 HydrophobicContact CE3-CD1 3.81Å; W359-I652 HydrophobicContact CE3-CG1 4.21Å; W359-I652 HydrophobicContact CG-CG1 4.38Å; W359-I652 HydrophobicContact CH2-CD1 3.92Å; W359-I652 HydrophobicContact CH2-CG1 4.4Å; W359-I652 HydrophobicContact CH2-CG2 4.04Å; W359-I652 HydrophobicContact CZ2-CB 4.47Å; W359-I652 HydrophobicContact CZ2-CD1 4.2Å; W359-I652 HydrophobicContact CZ2-CG1 4.17Å; W359-I652 HydrophobicContact CZ2-CG2 3.59Å; W359-I652 HydrophobicContact CZ3-CD1 3.69Å; W359-I652 HydrophobicContact CZ3-CG1 4.4Å; F431-I652 HydrophobicContact CE1-CD1 4.14Å; L432-I652 HydrophobicContact CD2-CD1 4.23Å; A580-I652 HydrophobicContact CB-CG2 3.45Å; A580-I652 VanDerWaalsContact CB-CG2 3.45Å; W638-I652 HydrophobicContact CD2-CG2 3.8Å; W638-I652 HydrophobicContact CE3-CB 4.37Å; W638-I652 HydrophobicContact CE3-CD1 4.42Å; W638-I652 HydrophobicContact CE3-CG2 3.59Å; W638-I652 HydrophobicContact CH2-CD1 4.2Å; W638-I652 HydrophobicContact CH2-CG2 4.06Å; W638-I652 HydrophobicContact CZ2-CG2 4.23Å; W638-I652 HydrophobicContact CZ3-CB 4.47Å; W638-I652 HydrophobicContact CZ3-CD1 3.73Å; W638-I652 HydrophobicContact CZ3-CG2 3.74Å; A649-I652 HydrophobicContact CB-CD1 4.06Å; A649-I652 VanDerWaalsContact O-CB 3.3Å; A649-I652 WeakPolarHBondContact O-CB 3.44Å; A649-I652 PolarHBondContact O-N 3.1Å; Q650-I652 PolarHBondContact O-N 2.84Å; Q650-I652 VanDerWaalsContact O-N 3.1Å; I652-L656 WeakPolarHBondContact O-CB 3.42Å; I652-L656 PolarHBondContact O-N 2.78Å
653	L	96.3	Very high	94.1	Very high	15 Å²	15	50 Å²	50	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-48.9	172.7	-81.3	-178.7	0	0	0	111.9	W638 E639 C642 A649 Q650 T655 L656 E657	W638-L653 HydrophobicContact CB-CD2 3.88Å; E639-L653 HydrophobicContact CB-CD2 4.47Å; C642-L653 HydrophobicContact CB-CD1 3.5Å; C642-L653 HydrophobicContact CB-CG 3.99Å; A649-L653 PolarHBondContact O-N 2.61Å; Q650-L653 WeakPolarHBondContact O-CB 3.43Å; Q650-L653 PolarHBondContact O-N 3.39Å; L653-T655 PolarHBondContact O-N 3.41Å; L653-L656 HydrophobicContact CD2-CD2 4.47Å; L653-L656 WeakPolarHBondContact O-CA 3.49Å; L653-L656 WeakPolarHBondContact O-CB 3.29Å; L653-L656 PolarHBondContact O-N 2.83Å; L653-E657 PolarHBondContact O-N 2.98Å
654	D	97.4	Very high	94.2	Very high	73 Å²	73	49.1 Å²	49.1	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-56.7	-43	179.8	-56.3	-13.4	0	0	0	110.4	Q650 E657 D658	Q650-D654 PolarHBondContact NE2-OD1 2.8Å; Q650-D654 PolarHBondContact O-N 2.78Å; D654-E657 PolarHBondContact O-N 3.11Å; D654-D658 WeakPolarHBondContact O-CB 3.33Å; D654-D658 PolarHBondContact O-N 2.97Å
655	T	97.8	Very high	94.5	Very high	23 Å²	23	52.1 Å²	52.1	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-35.6	175.9	-55.1	0	0	0	0	112.7	A580 L651 L653 N659	A580-T655 WeakPolarHBondContact O-CG2 3.47Å; L651-T655 WeakPolarHBondContact O-CB 3.45Å; L651-T655 PolarHBondContact O-N 3.3Å; L651-T655 PolarHBondContact O-OG1 3.45Å; L653-T655 PolarHBondContact O-N 3.41Å; T655-N659 VanDerWaalsContact O-CB 3.27Å; T655-N659 WeakPolarHBondContact O-CB 3.29Å; T655-N659 PolarHBondContact O-N 3.18Å; T655-N659 PolarHBondContact O-ND2 2.92Å
656	L	98.2	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-43.8	177.3	-178.3	63	0	0	0	111.4	P579 A580 I630 C634 H635 W638 I652 L653 R660	P579-L656 HydrophobicContact CB-CD1 3.58Å; P579-L656 WeakPolarHBondContact O-CD1 3.25Å; A580-L656 HydrophobicContact CB-CB 3.98Å; A580-L656 HydrophobicContact CB-CD1 4.23Å; I630-L656 HydrophobicContact CB-CD1 4.46Å; I630-L656 HydrophobicContact CD1-CD1 4.31Å; I630-L656 HydrophobicContact CG1-CD1 4Å; I630-L656 HydrophobicContact CG2-CD1 3.67Å; I630-L656 HydrophobicContact CG2-CD2 4.33Å; I630-L656 HydrophobicContact CG2-CG 3.84Å; C634-L656 HydrophobicContact CB-CD1 4.3Å; C634-L656 HydrophobicContact CB-CD2 4.45Å; H635-L656 HydrophobicContact CB-CD2 4.18Å; W638-L656 HydrophobicContact CB-CD2 3.92Å; W638-L656 HydrophobicContact CG-CD2 4.23Å; I652-L656 WeakPolarHBondContact O-CB 3.42Å; I652-L656 PolarHBondContact O-N 2.78Å; L653-L656 HydrophobicContact CD2-CD2 4.47Å; L653-L656 WeakPolarHBondContact O-CA 3.49Å; L653-L656 WeakPolarHBondContact O-CB 3.29Å; L653-L656 PolarHBondContact O-N 2.83Å; L656-R660 WeakPolarHBondContact O-CB 3.41Å; L656-R660 PolarHBondContact O-N 3.28Å
657	E	97.8	Very high	94.4	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-49.1	175.1	-70.7	-177.3	-158.3	0	0	111.4	H635 L653 D654 N659 R660 D661	H635-E657 IonicContact NE2-OE1 2.84Å; L653-E657 PolarHBondContact O-N 2.98Å; D654-E657 PolarHBondContact O-N 3.11Å; E657-N659 VanDerWaalsContact C-N 3.34Å; E657-N659 PolarHBondContact O-N 3.49Å; E657-R660 WeakPolarHBondContact O-CB 3.24Å; E657-R660 PolarHBondContact O-N 2.91Å; E657-R660 VanDerWaalsContact O-N 3.17Å; E657-D661 PolarHBondContact O-N 3.41Å
658	D	98.1	Very high	93.9	Very high	121 Å²	121	51.3 Å²	51.3	65%	0.647	26%	0.259	S	S	*	.	H	α-helix	trans	-56.2	-45.7	176	-90	-13.9	0	0	0	112	D654 W662	D654-D658 WeakPolarHBondContact O-CB 3.33Å; D654-D658 PolarHBondContact O-N 2.97Å; D658-W662 WeakPolarHBondContact O-CB 3.5Å; D658-W662 PolarHBondContact O-N 2.92Å
659	N	98.3	Very high	93.6	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.032	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.8	-79.3	-21.9	0	0	0	112	P579 K581 L583 Y586 T655 E657 W662 Y663	P579-N659 PolarHBondContact O-ND2 3.13Å; K581-N659 PolarHBondContact O-ND2 2.92Å; L583-N659 WeakPolarHBondContact CA-OD1 3.21Å; L583-N659 VanDerWaalsContact CB-OD1 3.25Å; L583-N659 WeakPolarHBondContact CB-OD1 3.36Å; L583-N659 WeakPolarHBondContact CD1-OD1 3.49Å; Y586-N659 HydrophobicContact CD1-CB 3.9Å; Y586-N659 HydrophobicContact CE1-CB 4.13Å; T655-N659 VanDerWaalsContact O-CB 3.27Å; T655-N659 WeakPolarHBondContact O-CB 3.29Å; T655-N659 PolarHBondContact O-N 3.18Å; T655-N659 PolarHBondContact O-ND2 2.92Å; E657-N659 VanDerWaalsContact C-N 3.34Å; E657-N659 PolarHBondContact O-N 3.49Å; N659-W662 WeakPolarHBondContact O-CB 3.49Å; N659-W662 PolarHBondContact O-N 3.27Å; N659-Y663 WeakPolarHBondContact O-CD2 3.37Å; N659-Y663 PolarHBondContact O-N 3.5Å; N659-Y663 VanDerWaalsContact O-N 3.12Å
660	R	98	Very high	92.9	Very high	57 Å²	57	55.7 Å²	55.7	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-46.5	178.3	-178.5	-98.7	177	-127.6	-12.9	111.4	I630 D631 L656 E657 Y663 E664	I630-R660 HydrophobicContact CB-CB 4.39Å; I630-R660 HydrophobicContact CB-CG 4.12Å; I630-R660 HydrophobicContact CD1-CB 3.77Å; I630-R660 HydrophobicContact CD1-CG 4.23Å; I630-R660 HydrophobicContact CG2-CB 3.91Å; I630-R660 HydrophobicContact CG2-CG 3.82Å; D631-R660 IonicContact OD1-CZ 3.52Å; D631-R660 IonicContact OD1-NE 2.95Å; D631-R660 PolarHBondContact OD1-NE 3.28Å; D631-R660 IonicContact OD1-NH2 2.75Å; D631-R660 PolarHBondContact OD1-NH2 3.37Å; D631-R660 IonicContact OD2-CZ 3.85Å; D631-R660 IonicContact OD2-NE 3.27Å; D631-R660 IonicContact OD2-NH2 2.66Å; D631-R660 PolarHBondContact OD2-NH2 2.83Å; L656-R660 WeakPolarHBondContact O-CB 3.41Å; L656-R660 PolarHBondContact O-N 3.28Å; E657-R660 WeakPolarHBondContact O-CB 3.24Å; E657-R660 PolarHBondContact O-N 2.91Å; E657-R660 VanDerWaalsContact O-N 3.17Å; R660-Y663 PolarHBondContact O-N 3.2Å; R660-E664 PolarHBondContact O-N 3.39Å
661	D	97.5	Very high	91.9	Very high	87 Å²	87	57.8 Å²	57.8	47%	0.465	29%	0.288	S	S	.	.	H	α-helix	trans	-71.4	-30	177.9	-89.9	6.6	0	0	0	112.9	E657 E664 C665	E657-D661 PolarHBondContact O-N 3.41Å; D661-E664 PolarHBondContact O-N 3.07Å; D661-C665 WeakPolarHBondContact O-CB 3.38Å; D661-C665 PolarHBondContact O-N 3.16Å; D661-C665 PolarHBondContact O-SG 2.99Å
662	W	97.2	Very high	90.8	Very high	63 Å²	63	58.6 Å²	58.6	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-46.4	169.8	-175.8	90.4	0	0	0	112	L583 R587 D658 N659 C665 H666	L583-W662 HydrophobicContact CD1-CB 4.43Å; L583-W662 HydrophobicContact CD1-CD2 3.78Å; L583-W662 HydrophobicContact CD1-CE3 3.77Å; L583-W662 HydrophobicContact CD1-CG 4.07Å; L583-W662 HydrophobicContact CD1-CZ3 4.4Å; L583-W662 HydrophobicContact CD2-CB 4.46Å; L583-W662 HydrophobicContact CD2-CD2 3.76Å; L583-W662 HydrophobicContact CD2-CG 3.67Å; L583-W662 HydrophobicContact CD2-CZ2 4.49Å; L583-W662 HydrophobicContact CG-CD2 4.37Å; R587-W662 HydrophobicContact CG-CH2 4.34Å; R587-W662 HydrophobicContact CG-CZ3 4.24Å; D658-W662 WeakPolarHBondContact O-CB 3.5Å; D658-W662 PolarHBondContact O-N 2.92Å; N659-W662 WeakPolarHBondContact O-CB 3.49Å; N659-W662 PolarHBondContact O-N 3.27Å; W662-C665 PolarHBondContact O-N 2.62Å; W662-H666 AromaticContact CD2-CE1 3.79Å; W662-H666 AromaticContact CD2-ND1 3.73Å; W662-H666 AromaticContact CE2-CE1 3.14Å; W662-H666 AromaticContact CE2-ND1 3.58Å; W662-H666 AromaticContact CE2-NE2 3.83Å; W662-H666 AromaticContact CH2-CD2 3.98Å; W662-H666 AromaticContact CH2-CE1 3.79Å; W662-H666 AromaticContact CH2-ND1 3.96Å; W662-H666 AromaticContact CH2-NE2 3.78Å; W662-H666 AromaticContact CZ2-CE1 3.16Å; W662-H666 WeakPolarHBondContact CZ2-CE1 3.32Å; W662-H666 AromaticContact CZ2-ND1 3.72Å; W662-H666 AromaticContact CZ2-NE2 3.33Å; W662-H666 VanDerWaalsContact CZ2-NE2 3.33Å; W662-H666 WeakPolarHBondContact CZ2-NE2 3.45Å; W662-H666 AromaticContact NE1-CE1 3.39Å; W662-H666 PolarHBondContact NE1-CE1 3.44Å; W662-H666 PolarHBondContact O-N 3.27Å; W662-H666 PolarHBondContact O-ND1 2.86Å
663	Y	96	Very high	89.3	Confident	10 Å²	10	64.1 Å²	64.1	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-43.8	176.6	-86.5	-74.1	0	0	0	112.1	Y586 T590 E623 Q626 N659 R660 C665 H666 I667	Y586-Y663 HydrophobicContact CD1-CD2 4.49Å; Y586-Y663 AromaticContact CD1-CE2 3.77Å; Y586-Y663 HydrophobicContact CD1-CE2 3.77Å; Y586-Y663 AromaticContact CE1-CD2 3.82Å; Y586-Y663 HydrophobicContact CE1-CD2 3.82Å; Y586-Y663 AromaticContact CE1-CE2 3.31Å; Y586-Y663 HydrophobicContact CE1-CE2 3.31Å; Y586-Y663 AromaticContact CZ-CE2 3.8Å; T590-Y663 PolarHBondContact OG1-OH 3.03Å; T590-Y663 VanDerWaalsContact OG1-OH 3.13Å; E623-Y663 HydrophobicContact CB-CD1 3.87Å; E623-Y663 HydrophobicContact CG-CD1 3.84Å; E623-Y663 HydrophobicContact CG-CE1 4.31Å; Q626-Y663 HydrophobicContact CB-CD1 4Å; Q626-Y663 HydrophobicContact CB-CD2 4.06Å; Q626-Y663 HydrophobicContact CB-CE1 4.17Å; Q626-Y663 HydrophobicContact CB-CE2 4.25Å; Q626-Y663 HydrophobicContact CB-CG 3.94Å; Q626-Y663 HydrophobicContact CG-CD1 4.12Å; Q626-Y663 HydrophobicContact CG-CE1 3.79Å; Q626-Y663 HydrophobicContact CG-CE2 4.24Å; Q626-Y663 HydrophobicContact CG-CG 4.46Å; N659-Y663 WeakPolarHBondContact O-CD2 3.37Å; N659-Y663 PolarHBondContact O-N 3.5Å; N659-Y663 VanDerWaalsContact O-N 3.12Å; R660-Y663 PolarHBondContact O-N 3.2Å; Y663-C665 VanDerWaalsContact C-N 3.29Å; Y663-C665 PolarHBondContact O-N 3.1Å; Y663-H666 PolarHBondContact O-N 3.47Å; Y663-I667 WeakPolarHBondContact O-CG1 3.35Å; Y663-I667 PolarHBondContact O-N 2.8Å; Y663-I667 VanDerWaalsContact O-N 3.15Å
664	E	95.2	Very high	87.9	Confident	46 Å²	46	68.1 Å²	68.1	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-35.1	176.2	173.3	59.3	-158.9	0	0	112.5	V627 R660 D661 I667 K668	V627-E664 HydrophobicContact CG2-CB 3.93Å; R660-E664 PolarHBondContact O-N 3.39Å; D661-E664 PolarHBondContact O-N 3.07Å; E664-I667 PolarHBondContact O-N 2.77Å; E664-K668 VanDerWaalsContact CG-NZ 3.33Å; E664-K668 PolarHBondContact O-N 3Å; E664-K668 WeakPolarHBondContact OE1-CE 3.42Å; E664-K668 IonicContact OE1-NZ 3.17Å; E664-K668 PolarHBondContact OE1-NZ 3.25Å
665	C	93.7	Very high	86.3	Confident	63 Å²	63	69.2 Å²	69.2	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-39.4	172.2	-71	0	0	0	0	112.5	D661 W662 Y663 I667 K668 E669	D661-C665 WeakPolarHBondContact O-CB 3.38Å; D661-C665 PolarHBondContact O-N 3.16Å; D661-C665 PolarHBondContact O-SG 2.99Å; W662-C665 PolarHBondContact O-N 2.62Å; Y663-C665 VanDerWaalsContact C-N 3.29Å; Y663-C665 PolarHBondContact O-N 3.1Å; C665-I667 VanDerWaalsContact C-N 3.32Å; C665-I667 PolarHBondContact O-N 3.36Å; C665-K668 WeakPolarHBondContact O-CB 3.29Å; C665-K668 PolarHBondContact O-N 2.87Å; C665-K668 VanDerWaalsContact O-N 3.09Å; C665-E669 PolarHBondContact O-N 2.95Å
666	H	88.6	Confident	84.3	Confident	59 Å²	59	75.3 Å²	75.3	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-33.4	177.9	-78.3	67.2	0	0	0	112.7	E623 W662 Y663 K668 E669 S670	E623-H666 HydrophobicContact CG-CB 4.07Å; W662-H666 AromaticContact CD2-CE1 3.79Å; W662-H666 AromaticContact CD2-ND1 3.73Å; W662-H666 AromaticContact CE2-CE1 3.14Å; W662-H666 AromaticContact CE2-ND1 3.58Å; W662-H666 AromaticContact CE2-NE2 3.83Å; W662-H666 AromaticContact CH2-CD2 3.98Å; W662-H666 AromaticContact CH2-CE1 3.79Å; W662-H666 AromaticContact CH2-ND1 3.96Å; W662-H666 AromaticContact CH2-NE2 3.78Å; W662-H666 AromaticContact CZ2-CE1 3.16Å; W662-H666 WeakPolarHBondContact CZ2-CE1 3.32Å; W662-H666 AromaticContact CZ2-ND1 3.72Å; W662-H666 AromaticContact CZ2-NE2 3.33Å; W662-H666 VanDerWaalsContact CZ2-NE2 3.33Å; W662-H666 WeakPolarHBondContact CZ2-NE2 3.45Å; W662-H666 AromaticContact NE1-CE1 3.39Å; W662-H666 PolarHBondContact NE1-CE1 3.44Å; W662-H666 PolarHBondContact O-N 3.27Å; W662-H666 PolarHBondContact O-ND1 2.86Å; Y663-H666 PolarHBondContact O-N 3.47Å; H666-K668 VanDerWaalsContact C-N 3.31Å; H666-K668 PolarHBondContact O-N 3.42Å; H666-E669 PolarHBondContact O-N 3.49Å; H666-S670 PolarHBondContact O-N 2.67Å; H666-S670 PolarHBondContact O-OG 3.16Å
667	I	86	Confident	82.3	Confident	13 Å²	13	82.7 Å²	82.7	7%	0.067	41%	0.414	C	S	.	.	H	α-helix	trans	-61.7	-38.3	171.2	-60.4	167.2	0	0	0	111.5	E623 K624 V627 Y663 E664 C665 S670 K671	E623-I667 HydrophobicContact CB-CD1 4.27Å; E623-I667 HydrophobicContact CB-CG1 3.58Å; K624-I667 VanDerWaalsContact CA-CD1 3.47Å; K624-I667 HydrophobicContact CB-CD1 3.88Å; K624-I667 HydrophobicContact CB-CG1 4.47Å; V627-I667 HydrophobicContact CB-CD1 4.47Å; V627-I667 HydrophobicContact CG2-CD1 3.87Å; Y663-I667 WeakPolarHBondContact O-CG1 3.35Å; Y663-I667 PolarHBondContact O-N 2.8Å; Y663-I667 VanDerWaalsContact O-N 3.15Å; E664-I667 PolarHBondContact O-N 2.77Å; C665-I667 VanDerWaalsContact C-N 3.32Å; C665-I667 PolarHBondContact O-N 3.36Å; I667-S670 PolarHBondContact O-OG 3.36Å; I667-S670 VanDerWaalsContact O-OG 3.05Å; I667-K671 HydrophobicContact CG2-CD 4.19Å; I667-K671 WeakPolarHBondContact O-CD 3.44Å; I667-K671 VanDerWaalsContact O-CG 3.31Å; I667-K671 WeakPolarHBondContact O-CG 3.3Å; I667-K671 PolarHBondContact O-N 2.85Å
668	K	78.4	Confident	80.2	Confident	107 Å²	107	81.6 Å²	81.6	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-71.7	-42.9	178.4	-70.4	163.8	-179.6	146.2	0	111.1	E664 C665 H666 K671 M672	E664-K668 VanDerWaalsContact CG-NZ 3.33Å; E664-K668 PolarHBondContact O-N 3Å; E664-K668 WeakPolarHBondContact OE1-CE 3.42Å; E664-K668 IonicContact OE1-NZ 3.17Å; E664-K668 PolarHBondContact OE1-NZ 3.25Å; C665-K668 WeakPolarHBondContact O-CB 3.29Å; C665-K668 PolarHBondContact O-N 2.87Å; C665-K668 VanDerWaalsContact O-N 3.09Å; H666-K668 VanDerWaalsContact C-N 3.31Å; H666-K668 PolarHBondContact O-N 3.42Å; K668-K671 PolarHBondContact O-N 3.46Å; K668-M672 WeakPolarHBondContact O-CG 3.41Å; K668-M672 PolarHBondContact O-N 3.14Å
669	E	77.2	Confident	77.5	Confident	91 Å²	91	86 Å²	86	43%	0.425	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-43.1	177	-77.9	-162.1	-160.1	0	0	113.6	C665 H666 M672 K673	C665-E669 PolarHBondContact O-N 2.95Å; H666-E669 PolarHBondContact O-N 3.49Å; E669-M672 PolarHBondContact O-N 3.29Å; E669-K673 WeakPolarHBondContact O-CG 3.34Å; E669-K673 PolarHBondContact O-N 3.34Å; E669-K673 IonicContact OE2-NZ 2.87Å; E669-K673 PolarHBondContact OE2-NZ 3.48Å
670	S	74.5	Confident	74.8	Confident	56 Å²	56	90.6 Å²	90.6	39%	0.392	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-45.1	178.8	63.4	0	0	0	0	110.9	H666 I667 M672 K673 V674	H666-S670 PolarHBondContact O-N 2.67Å; H666-S670 PolarHBondContact O-OG 3.16Å; I667-S670 PolarHBondContact O-OG 3.36Å; I667-S670 VanDerWaalsContact O-OG 3.05Å; S670-M672 PolarHBondContact O-N 3.07Å; S670-K673 PolarHBondContact O-N 2.78Å; S670-V674 WeakPolarHBondContact O-CG2 3.25Å; S670-V674 PolarHBondContact O-N 3.49Å; S670-V674 VanDerWaalsContact O-N 3.07Å
671	K	72.9	Confident	72.3	Confident	116 Å²	116	97.8 Å²	97.8	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-39.5	173.1	-71.4	171.4	-176.9	170	0	112.7	I667 K668 T675	I667-K671 HydrophobicContact CG2-CD 4.19Å; I667-K671 WeakPolarHBondContact O-CD 3.44Å; I667-K671 VanDerWaalsContact O-CG 3.31Å; I667-K671 WeakPolarHBondContact O-CG 3.3Å; I667-K671 PolarHBondContact O-N 2.85Å; K668-K671 PolarHBondContact O-N 3.46Å; K671-T675 WeakPolarHBondContact O-CB 3.41Å; K671-T675 PolarHBondContact O-N 2.71Å; K671-T675 PolarHBondContact O-OG1 3.08Å
672	M	70.1	Confident	69.4	Low	124 Å²	124	101.8 Å²	101.8	61%	0.611	51%	0.513	S	S	*	.	H	α-helix	trans	-66.7	-43.1	175.6	-77.9	-168.5	174.3	0	0	112.6	K668 E669 S670 V674 T675 Q676	K668-M672 WeakPolarHBondContact O-CG 3.41Å; K668-M672 PolarHBondContact O-N 3.14Å; E669-M672 PolarHBondContact O-N 3.29Å; S670-M672 PolarHBondContact O-N 3.07Å; M672-V674 PolarHBondContact O-N 3.45Å; M672-T675 PolarHBondContact O-N 3.23Å; M672-Q676 WeakPolarHBondContact O-CG 3.28Å; M672-Q676 PolarHBondContact O-N 2.89Å
673	K	67	Low	66.8	Low	119 Å²	119	103.1 Å²	103.1	52%	0.517	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-44.4	177.1	-73.2	163.4	-172.3	156.5	0	111.2	E669 S670 Q676 L677	E669-K673 WeakPolarHBondContact O-CG 3.34Å; E669-K673 PolarHBondContact O-N 3.34Å; E669-K673 IonicContact OE2-NZ 2.87Å; E669-K673 PolarHBondContact OE2-NZ 3.48Å; S670-K673 PolarHBondContact O-N 2.78Å; K673-Q676 PolarHBondContact O-N 3.32Å; K673-L677 WeakPolarHBondContact O-CG 3.43Å; K673-L677 PolarHBondContact O-N 2.99Å
674	V	66.2	Low	64.2	Low	99 Å²	99	109.6 Å²	109.6	60%	0.6	58%	0.578	S	S	*	*	H	α-helix	trans	-61.6	-43.8	173.2	174.7	0	0	0	0	111.6	S670 M672 Q676 L677 A678	S670-V674 WeakPolarHBondContact O-CG2 3.25Å; S670-V674 PolarHBondContact O-N 3.49Å; S670-V674 VanDerWaalsContact O-N 3.07Å; M672-V674 PolarHBondContact O-N 3.45Å; V674-Q676 PolarHBondContact O-N 2.91Å; V674-L677 PolarHBondContact O-N 3.41Å; V674-A678 WeakPolarHBondContact O-CB 3.42Å; V674-A678 PolarHBondContact O-N 3.34Å
675	T	63.6	Low	61.5	Low	96 Å²	96	111.9 Å²	111.9	59%	0.589	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-35.4	-179.3	-56	0	0	0	0	112.8	K671 M672 A678 R679	K671-T675 WeakPolarHBondContact O-CB 3.41Å; K671-T675 PolarHBondContact O-N 2.71Å; K671-T675 PolarHBondContact O-OG1 3.08Å; M672-T675 PolarHBondContact O-N 3.23Å; T675-A678 PolarHBondContact O-N 3.25Å; T675-R679 PolarHBondContact O-N 3.31Å
676	Q	55.9	Low	59.1	Low	151 Å²	151	113.1 Å²	113.1	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-69.9	-37.7	176	-72.1	-176.1	14.6	0	0	112.2	M672 K673 V674 A678	M672-Q676 WeakPolarHBondContact O-CG 3.28Å; M672-Q676 PolarHBondContact O-N 2.89Å; K673-Q676 PolarHBondContact O-N 3.32Å; V674-Q676 PolarHBondContact O-N 2.91Å; Q676-A678 VanDerWaalsContact C-N 3.32Å
677	L	56.5	Low	57	Low	154 Å²	154	119.4 Å²	119.4	81%	0.806	65%	0.649	S	S	*	*	H	α-helix	trans	-68.6	-30.2	174	-72.9	164.5	0	0	0	112.7	K673 V674 R679	K673-L677 WeakPolarHBondContact O-CG 3.43Å; K673-L677 PolarHBondContact O-N 2.99Å; V674-L677 PolarHBondContact O-N 3.41Å; L677-R679 PolarHBondContact O-N 2.94Å
678	A	53.9	Low	54.9	Low	76 Å²	76	125.8 Å²	125.8	63%	0.628	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-4.4	-179.1	0	0	0	0	0	115	V674 T675 Q676 P680	V674-A678 WeakPolarHBondContact O-CB 3.42Å; V674-A678 PolarHBondContact O-N 3.34Å; T675-A678 PolarHBondContact O-N 3.25Å; Q676-A678 VanDerWaalsContact C-N 3.32Å; A678-P680 WeakPolarHBondContact O-CD 3.32Å
679	R	40.5	Very low	53.2	Low	213 Å²	213	128 Å²	128	80%	0.804	70%	0.7	S	S	*	*			trans	-90.6	112.9	-175.9	-157.4	177.6	-165.5	-173.5	4.6	111	T675 L677 K681	T675-R679 PolarHBondContact O-N 3.31Å; L677-R679 PolarHBondContact O-N 2.94Å; R679-K681 PolarHBondContact O-N 3.17Å
680	P	42.8	Very low	51.6	Low	102 Å²	102	132.2 Å²	132.2	66%	0.662	72%	0.72	S	S	*	*			trans	-64.7	135.6	175.2	-15.5	29.8	0	0	0	109.8	A678 L682	A678-P680 WeakPolarHBondContact O-CD 3.32Å; P680-L682 VanDerWaalsContact C-N 3.27Å; P680-L682 PolarHBondContact O-N 3.39Å
681	K	43.6	Very low	50	Low	208 Å²	208	138.3 Å²	138.3	90%	0.904	74%	0.742	S	S	*	*			trans	-69.3	84.3	169.7	-75.3	-173.7	177.3	-178.8	0	110.2	R679 A683	R679-K681 PolarHBondContact O-N 3.17Å; K681-A683 PolarHBondContact O-N 3.43Å
682	L	38.6	Very low	48.5	Very low	172 Å²	172	140.8 Å²	140.8	90%	0.901	76%	0.759	S	S	*	*			trans	-77.4	94	154.9	-93.1	126	0	0	0	108.1	P680	P680-L682 VanDerWaalsContact C-N 3.27Å; P680-L682 PolarHBondContact O-N 3.39Å
683	A	41.3	Very low	47.2	Very low	90 Å²	90	139.7 Å²	139.7	74%	0.744	76%	0.764	S	S	*	*			trans	-124.2	144.6	162.7	0	0	0	0	0	108.2	K681	K681-A683 PolarHBondContact O-N 3.43Å
684	T	41.9	Very low	46.1	Very low	147 Å²	147	139.8 Å²	139.8	90%	0.902	77%	0.774	S	S	*	*			trans	-74.7	164.9	-165.8	40.9	0	0	0	0	114.1
685	A	38.8	Very low	44.9	Very low	93 Å²	93	140.8 Å²	140.8	77%	0.769	78%	0.781	S	S	*	*			trans	-75.3	163.3	-175.1	0	0	0	0	0	114.4
686	A	42.9	Very low	43.9	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	79%	0.792	S	S	*	*			trans	61.4	109	158.5	0	0	0	0	0	117.8
687	E	43.6	Very low	43.4	Very low	191 Å²	191	138.2 Å²	138.2	89%	0.893	80%	0.796	S	S	*	*				-164.7	155.4	107.2	-100.9	165.7	-165.2	0	0	109.5
688	D	42.9	Very low	42.8	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	80%	0.8	S	S	*	*			trans	-95.2	155.7	-159.5	-57.2	-62.2	0	0	0	114.5
689	D	42.6	Very low	42.7	Very low	154 Å²	154	145.5 Å²	145.5	82%	0.824	83%	0.833	S	S	*	*			trans	54.7	145.5	145.5	-67.2	-28.9	0	0	0	124.4
690	E	44.6	Very low	42.8	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	84%	0.835	S	S	*	*			trans	108.7	133.4	149.3	-61.5	-133.1	130.2	0	0	122.4
691	E	40.2	Very low	42.8	Very low	184 Å²	184	144.3 Å²	144.3	86%	0.86	84%	0.844	S	S	*	*			trans	74.3	125.8	158.9	-67.5	-161.4	139.6	0	0	124.4
692	I	42	Very low	42.7	Very low	168 Å²	168	140.7 Å²	140.7	86%	0.862	84%	0.84	S	S	*	*			trans	-104.7	124.3	173.1	-66.4	163.2	0	0	0	107.7
693	S	42.2	Very low	43	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	84%	0.837	S	S	*	*			trans	-159.9	107.3	149.3	68	0	0	0	0	114.5
694	T	43.5	Very low	43.1	Very low	120 Å²	120	141.9 Å²	141.9	74%	0.736	84%	0.843	S	S	*	*				61.2	146.2	125.7	58.5	0	0	0	0	124.2
695	T	41.1	Very low	43.2	Very low	120 Å²	120	141.6 Å²	141.6	74%	0.736	84%	0.839	S	S	*	*			trans	76.1	89.1	148.1	39.1	0	0	0	0	121.1
696	S	42.5	Very low	43.5	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	84%	0.844	S	S	*	*				17.5	134.1	116.6	60.8	0	0	0	0	120.7
697	G	46.1	Very low	43.5	Very low	77 Å²	77	149.3 Å²	149.3	79%	0.794	85%	0.852	S	S	*	*			trans	176.7	110.6	157.6	0	0	0	0	0	114.4
698	N	44.4	Very low	43.5	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	85%	0.848	S	S	*	*			trans	-44.5	137.7	-178.6	-57.7	-11.3	0	0	0	116.7
699	T	50	Low	43.6	Very low	217 Å²	217	145.7 Å²	145.7	100%	1.331	85%	0.854	S	S	*	*				-148.4	0	115.8	30.5	0	0	0	0	109.1

Retrieved 699 of 699 residues in 163.6 ms (Link to these results)

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