A0A3Q0KUA6_SCHMA Loading...

Rho gtpase activating protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KUA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	35	Very low	243 Å²	243	147.2 Å²	147.2	100%	1.197	85%	0.853	S	S	*	*				0	143.1	0	-74.8	172.1	166.5	0	0	107.4
2	S	33.6	Very low	34.8	Very low	131 Å²	131	144.4 Å²	144.4	92%	0.916	83%	0.831	S	S	*	*			trans	-132.5	147.8	-151.7	-48.2	0	0	0	0	112.2
3	G	46	Very low	34.5	Very low	81 Å²	81	146.4 Å²	146.4	84%	0.835	83%	0.828	S	S	*	*			trans	-177.5	60.3	-177.6	0	0	0	0	0	114.8
4	Q	32.4	Very low	34.3	Very low	189 Å²	189	146.9 Å²	146.9	88%	0.883	83%	0.828	S	S	*	*			trans	-82.2	149.8	156.6	-75.5	-173	-16.1	0	0	109.5
5	L	37.7	Very low	34.5	Very low	175 Å²	175	144.3 Å²	144.3	92%	0.916	82%	0.819	S	S	*	*				-169.5	153.3	126.8	-103.9	165.7	0	0	0	111.1
6	S	29.6	Very low	34.5	Very low	94 Å²	94	143.4 Å²	143.4	66%	0.657	82%	0.817	S	S	*	*			trans	-115.1	157.5	-178.4	169.6	0	0	0	0	110.9
7	K	40.1	Very low	34.7	Very low	207 Å²	207	142.2 Å²	142.2	90%	0.9	82%	0.82	S	S	*	*			trans	-164.6	133.8	149.5	-105.3	149.5	-170.9	-179.7	0	112.2
8	S	29.8	Very low	34.7	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	82%	0.817	S	S	*	*			trans	-97.5	168.1	175.6	-45.2	0	0	0	0	111.8
9	C	30.6	Very low	34.8	Very low	124 Å²	124	140.4 Å²	140.4	84%	0.838	81%	0.81	S	S	*	*			trans	-148.4	137.3	159.5	-160.7	0	0	0	0	110.5
10	T	28.9	Very low	34.8	Very low	112 Å²	112	140 Å²	140	69%	0.687	81%	0.805	S	S	*	*			trans	-149.4	125.6	-177.1	-53.2	0	0	0	0	111.1	I12	T10-I12 HydrophobicContact CG2-CD1 4.38Å; T10-I12 HydrophobicContact CG2-CG1 4.32Å
11	I	37.1	Very low	34.9	Very low	153 Å²	153	140.6 Å²	140.6	79%	0.785	80%	0.804	S	S	*	*			trans	-148.2	131.6	167.9	-51.8	179.9	0	0	0	105.9
12	I	32.3	Very low	34.4	Very low	114 Å²	114	136.7 Å²	136.7	59%	0.585	78%	0.783	S	S	*	*			cis	109.1	102.1	10.3	-60.5	168.5	0	0	0	113.8	T10	T10-I12 HydrophobicContact CG2-CD1 4.38Å; T10-I12 HydrophobicContact CG2-CG1 4.32Å
13	Q	30.5	Very low	34.3	Very low	170 Å²	170	138.8 Å²	138.8	79%	0.794	78%	0.778	S	S	*	*			trans	68.3	150.5	159.1	-66.7	167.1	-51.2	0	0	116.6
14	D	32.3	Very low	33.6	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	77%	0.773	S	S	*	*			cis	-136	174	33.6	-83	-49.6	0	0	0	116.3
15	P	36.7	Very low	33.3	Very low	107 Å²	107	136.4 Å²	136.4	70%	0.695	77%	0.77	S	S	*	*			trans	-130.2	-176.3	-176.1	34.7	-13.2	0	0	0	117.4
16	V	35.7	Very low	33	Very low	131 Å²	131	138.5 Å²	138.5	79%	0.794	77%	0.767	S	S	*	*			trans	85.3	111	160.2	-166.5	0	0	0	0	119.8
17	S	37.4	Very low	32.8	Very low	123 Å²	123	141.2 Å²	141.2	86%	0.86	77%	0.774	S	S	*	*				177.8	145.5	121.4	-77.2	0	0	0	0	112.9
18	N	33.9	Very low	32.5	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	77%	0.768	S	S	*	*			trans	-114.5	166.9	178.1	-149.8	3.1	0	0	0	108.8
19	P	38.1	Very low	32.4	Very low	105 Å²	105	139.6 Å²	139.6	68%	0.682	77%	0.771	S	S	*	*				-153.2	157.9	66.8	39.8	-18.6	0	0	0	119.1
20	N	34.6	Very low	32.5	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	77%	0.773	S	S	*	*			trans	51	123.2	144.5	-52.6	-12.1	0	0	0	122.1
21	I	35.8	Very low	32.4	Very low	153 Å²	153	144.5 Å²	144.5	79%	0.785	78%	0.779	S	S	*	*				-176.8	125	100.8	-93.4	169.2	0	0	0	112.2
22	E	30	Very low	32.1	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	78%	0.781	S	S	*	*			trans	55.3	146.5	151.9	-68.5	-170.9	-178.6	0	0	126.2
23	Q	30.9	Very low	31.9	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	79%	0.793	S	S	*	*			trans	67.9	128	159.8	-69.2	168.1	51.5	0	0	119
24	A	30.7	Very low	32.1	Very low	89 Å²	89	143.4 Å²	143.4	74%	0.736	80%	0.796	S	S	*	*			cis	-156.7	148.5	-13	0	0	0	0	0	111.3
25	T	25.8	Very low	31.8	Very low	131 Å²	131	146.7 Å²	146.7	80%	0.804	80%	0.796	S	S	*	*			trans	-133.3	132.3	174.6	51	0	0	0	0	110.3
26	Y	32.1	Very low	31.3	Very low	218 Å²	218	147.7 Å²	147.7	86%	0.855	81%	0.805	S	S	*	*			trans	-145.9	102.5	167.1	-90.9	-74.4	0	0	0	111.8
27	D	26.2	Very low	30.9	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	80%	0.798	S	S	*	*			trans	-69.6	142.8	137.6	-71.4	-63.3	0	0	0	108.6
28	T	32.5	Very low	30.4	Very low	128 Å²	128	145.2 Å²	145.2	79%	0.785	80%	0.798	S	S	*	*				165.5	145.3	128.8	45.2	0	0	0	0	111.2
29	D	28	Very low	30.1	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	80%	0.799	S	S	*	*			trans	-61.3	147.1	161.6	-57.1	-90.7	0	0	0	111.8
30	E	32.3	Very low	29.9	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	81%	0.808	S	S	*	*				-168.2	169	115.3	-108.8	-157.2	164.3	0	0	113.7
31	N	27.5	Very low	29.5	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	81%	0.81	S	S	*	*			trans	-84.6	143.8	179.5	-68.5	-94.6	0	0	0	111.7
32	S	31.3	Very low	29.2	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	81%	0.807	S	S	*	*			trans	-142.3	150.9	146.8	72.2	0	0	0	0	112.1
33	Y	28.2	Very low	29.1	Very low	212 Å²	212	149 Å²	149	83%	0.831	81%	0.809	S	S	*	*			trans	-93.7	130.7	-173.6	-92	-115.7	0	0	0	111.8
34	G	33.7	Very low	29.1	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	80%	0.803	S	S	*	*			trans	-124.2	107.5	166	0	0	0	0	0	111.8
35	R	25.5	Very low	29	Very low	223 Å²	223	148.5 Å²	148.5	84%	0.842	80%	0.804	S	S	*	*			trans	-101.2	131.8	172.3	-73.6	-179.3	177.6	171.1	0.3	110.7
36	C	28.1	Very low	29.2	Very low	128 Å²	128	151 Å²	151	87%	0.865	80%	0.804	S	S	*	*			trans	-167.4	135	130.2	-91.3	0	0	0	0	107.5
37	A	26.1	Very low	28.9	Very low	80 Å²	80	145.9 Å²	145.9	66%	0.661	80%	0.795	S	S	*	*			cis	93	78.7	29.1	0	0	0	0	0	114.9
38	S	27	Very low	29.1	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	80%	0.798	S	S	*	*			trans	39.8	100.3	140.2	60.4	0	0	0	0	120.7
39	S	27.9	Very low	28.7	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	80%	0.796	S	S	*	*			trans	-169.4	153.3	150.7	49.8	0	0	0	0	108.2
40	L	32.8	Very low	28.9	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	80%	0.795	S	S	*	*			cis	-147.7	-166.3	-8.7	-122.7	168.9	0	0	0	109.8
41	Y	28.1	Very low	28.8	Very low	192 Å²	192	143.5 Å²	143.5	75%	0.753	78%	0.78	S	S	*	*			trans	-84.5	171.7	-177.2	-99.7	-114.5	0	0	0	114.4
42	E	27.7	Very low	28.8	Very low	156 Å²	156	145.8 Å²	145.8	73%	0.729	79%	0.785	S	S	*	*			trans	77.8	134	150.2	-80	149.2	-163.9	0	0	120.6
43	D	28.7	Very low	28.8	Very low	150 Å²	150	147.4 Å²	147.4	80%	0.802	78%	0.777	S	S	*	*			trans	53.6	134.2	149.9	-55.3	-14	0	0	0	119.4
44	D	31.7	Very low	28.8	Very low	129 Å²	129	144.9 Å²	144.9	69%	0.69	78%	0.778	S	S	*	*				-150	152.3	52	-161.9	4	0	0	0	114.1	K46	D44-K46 PolarHBondContact O-N 3.2Å
45	V	27.7	Very low	28.8	Very low	125 Å²	125	147 Å²	147	76%	0.758	78%	0.775	S	S	*	*			trans	-88	104.7	175.2	174.7	0	0	0	0	109.2
46	K	31	Very low	28.8	Very low	182 Å²	182	140.7 Å²	140.7	79%	0.791	77%	0.77	S	S	*	*			trans	-116.3	98.3	170.7	-117	165.7	-171.1	151.9	0	114.1	D44 M48	D44-K46 PolarHBondContact O-N 3.2Å; K46-M48 PolarHBondContact O-N 3.15Å
47	V	25.5	Very low	28.9	Very low	112 Å²	112	140 Å²	140	68%	0.679	77%	0.767	S	S	*	*			trans	-48.3	125	163.3	175.5	0	0	0	0	110.3	E49	V47-E49 HydrophobicContact CG1-CB 3.89Å
48	M	29.3	Very low	29.1	Very low	177 Å²	177	141.2 Å²	141.2	87%	0.872	77%	0.77	S	S	*	*			trans	-109.8	91.1	156.2	-82.2	-160.9	-72.5	0	0	109.2	K46 V50	K46-M48 PolarHBondContact O-N 3.15Å; M48-V50 PolarHBondContact O-N 2.71Å; M48-V50 VanDerWaalsContact O-N 3.16Å
49	E	25.3	Very low	29.1	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	77%	0.773	S	S	*	*			trans	-75.9	89.5	174	-178.4	177.7	-131.1	0	0	109.6	V47 N51	V47-E49 HydrophobicContact CG1-CB 3.89Å; E49-N51 PolarHBondContact O-N 3.47Å
50	V	32.6	Very low	29.3	Very low	136 Å²	136	149.4 Å²	149.4	82%	0.824	77%	0.774	S	S	*	*			trans	-79	108	173	-176.8	0	0	0	0	108.3	M48 E52	M48-V50 PolarHBondContact O-N 2.71Å; M48-V50 VanDerWaalsContact O-N 3.16Å; V50-E52 PolarHBondContact O-N 3.19Å
51	N	30	Very low	29	Very low	103 Å²	103	146.6 Å²	146.6	55%	0.551	76%	0.76	S	S	*	*			trans	-57.8	127.1	-169.8	-94.4	-115.7	0	0	0	113.8	E49 K53	E49-N51 PolarHBondContact O-N 3.47Å; N51-K53 PolarHBondContact O-N 3.03Å; N51-K53 VanDerWaalsContact O-N 3.16Å; N51-K53 WeakPolarHBondContact OD1-CE 3.19Å
52	E	26.2	Very low	29.3	Very low	197 Å²	197	143.3 Å²	143.3	92%	0.921	77%	0.765	S	S	*	*			trans	-70.1	97.4	158.2	-68.1	-173.3	130.6	0	0	110.3	V50	V50-E52 PolarHBondContact O-N 3.19Å
53	K	32	Very low	29.3	Very low	154 Å²	154	145.5 Å²	145.5	67%	0.67	77%	0.767	S	S	*	*			trans	-142.5	113.5	166.2	-68.1	-170.5	-176.8	171.6	0	112.7	N51	N51-K53 PolarHBondContact O-N 3.03Å; N51-K53 VanDerWaalsContact O-N 3.16Å; N51-K53 WeakPolarHBondContact OD1-CE 3.19Å
54	N	29.3	Very low	29.4	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	77%	0.766	S	S	*	*			trans	68.9	144.2	173	-41.5	-42.5	0	0	0	113.3
55	V	32.8	Very low	29.4	Very low	128 Å²	128	143.5 Å²	143.5	78%	0.776	77%	0.768	S	S	*	*			cis	-125	139.1	17.7	174.5	0	0	0	0	111.3
56	A	25.7	Very low	29.4	Very low	89 Å²	89	148.9 Å²	148.9	74%	0.736	78%	0.775	S	S	*	*			trans	-115.3	166	158.6	0	0	0	0	0	109.3
57	S	30	Very low	29.4	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	77%	0.773	S	S	*	*			trans	74.2	149.6	-160.9	83.5	0	0	0	0	113.5
58	S	30.2	Very low	29.8	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	78%	0.775	S	S	*	*			cis	-130.6	163.2	11.9	59.3	0	0	0	0	114.1
59	Y	26.4	Very low	30	Very low	229 Å²	229	143.7 Å²	143.7	90%	0.898	77%	0.772	S	S	*	*			trans	-89.3	139.4	164.8	-91.5	-112.6	0	0	0	109.9
60	Q	32.5	Very low	30.3	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	77%	0.774	S	S	*	*			trans	-170.8	99	149.8	-104.5	157.8	12.3	0	0	105.7
61	D	27.4	Very low	30.3	Very low	107 Å²	107	139 Å²	139	57%	0.572	78%	0.775	S	S	*	*				49.8	105.5	77.9	-153.6	-2.6	0	0	0	112.1	R63	D61-R63 WeakPolarHBondContact OD1-CG 3.46Å; D61-R63 IonicContact OD1-NE 3.68Å; D61-R63 PolarHBondContact OD1-NE 3.37Å; D61-R63 IonicContact OD1-NH2 3.22Å; D61-R63 IonicContact OD2-CZ 3.81Å; D61-R63 IonicContact OD2-NE 3.68Å; D61-R63 IonicContact OD2-NH2 3.55Å; D61-R63 PolarHBondContact OD2-NH2 3.03Å
62	S	33.7	Very low	30.2	Very low	122 Å²	122	142.9 Å²	142.9	85%	0.853	79%	0.79	S	S	*	*			trans	-144.7	81.9	179.2	-71.7	0	0	0	0	109.1
63	R	26.8	Very low	30.3	Very low	202 Å²	202	140 Å²	140	76%	0.762	79%	0.789	S	S	*	*			trans	-90.6	126.9	175	-58.7	177.5	-145.8	177.4	7.8	109.9	D61	D61-R63 WeakPolarHBondContact OD1-CG 3.46Å; D61-R63 IonicContact OD1-NE 3.68Å; D61-R63 PolarHBondContact OD1-NE 3.37Å; D61-R63 IonicContact OD1-NH2 3.22Å; D61-R63 IonicContact OD2-CZ 3.81Å; D61-R63 IonicContact OD2-NE 3.68Å; D61-R63 IonicContact OD2-NH2 3.55Å; D61-R63 PolarHBondContact OD2-NH2 3.03Å
64	C	31.5	Very low	30.1	Very low	116 Å²	116	137.9 Å²	137.9	78%	0.784	79%	0.794	S	S	*	*			trans	-136.7	109.6	155.7	-88.5	0	0	0	0	109.7
65	T	32.2	Very low	30.3	Very low	121 Å²	121	136 Å²	136	74%	0.742	79%	0.789	S	S	*	*				38.8	106	129.3	55.8	0	0	0	0	118.2
66	R	26.1	Very low	30.3	Very low	239 Å²	239	138.5 Å²	138.5	90%	0.902	79%	0.791	S	S	*	*				53.4	115.2	87.1	-85.6	-173.5	164.5	178.9	-4.6	114.9
67	S	32.3	Very low	30.4	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	80%	0.798	S	S	*	*				174.8	150.4	99.6	-69.1	0	0	0	0	111.4
68	S	33.2	Very low	30.7	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	80%	0.795	S	S	*	*			trans	58.8	147.2	156.7	-77.5	0	0	0	0	119.6
69	D	33.9	Very low	30.9	Very low	151 Å²	151	148 Å²	148	81%	0.807	80%	0.795	S	S	*	*			cis	-145.7	173	-11.9	-79.5	-35.6	0	0	0	106.2
70	G	31.4	Very low	31.3	Very low	75 Å²	75	144 Å²	144	77%	0.773	79%	0.79	S	S	*	*			cis	133.2	79.7	1.7	0	0	0	0	0	112.5
71	S	33.7	Very low	31.4	Very low	120 Å²	120	141 Å²	141	84%	0.839	79%	0.788	S	S	*	*			trans	-165	153	157.1	-165.9	0	0	0	0	112.6
72	Q	26.3	Very low	32	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	80%	0.797	S	S	*	*			trans	-125.6	147.7	170.9	-61.6	177.3	-83.2	0	0	109.4
73	C	29.3	Very low	31.9	Very low	135 Å²	135	144.1 Å²	144.1	91%	0.912	80%	0.798	S	S	*	*			trans	-130.7	147.5	152.7	-93.5	0	0	0	0	109.4
74	S	27.2	Very low	32.2	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	80%	0.803	S	S	*	*			trans	-131.7	-155.8	-169	58.2	0	0	0	0	110.6
75	V	34.7	Very low	32	Very low	120 Å²	120	145.2 Å²	145.2	73%	0.727	81%	0.805	S	S	*	*			trans	83.3	132.2	175.8	-173.3	0	0	0	0	113
76	E	32.1	Very low	32	Very low	179 Å²	179	147.5 Å²	147.5	84%	0.836	81%	0.811	S	S	*	*			cis	-139.4	-174.5	12	-150.3	132.8	-127.3	0	0	114.7
77	R	26.9	Very low	32.1	Very low	231 Å²	231	141.3 Å²	141.3	87%	0.872	81%	0.805	S	S	*	*			trans	-133.5	150.8	176.7	-81.7	-175.5	170.8	-163.6	-0.3	112.4
78	S	36.5	Very low	32.3	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	80%	0.804	S	S	*	*			trans	-165	122.4	142.5	-86.6	0	0	0	0	111.1
79	K	35.7	Very low	32.4	Very low	174 Å²	174	142.4 Å²	142.4	76%	0.757	81%	0.809	S	S	*	*				78.4	110.9	95	-68.8	-176	168.2	179.4	0	114
80	D	33.9	Very low	32.2	Very low	146 Å²	146	144 Å²	144	78%	0.781	81%	0.812	S	S	*	*				77.8	133.6	85.1	-60.5	-32.1	0	0	0	112.1
81	S	35.3	Very low	32.2	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	81%	0.811	S	S	*	*			cis	-156.6	177.2	9.6	-95.9	0	0	0	0	112.4
82	P	38.8	Very low	32	Very low	115 Å²	115	149.3 Å²	149.3	75%	0.747	81%	0.811	S	S	*	*			trans	-121	-173.7	-166.3	43.6	-33.5	0	0	0	118.2
83	M	31.3	Very low	32.2	Very low	178 Å²	178	145.5 Å²	145.5	88%	0.877	80%	0.804	S	S	*	*			trans	83.7	148.9	177.5	-55.9	-153	-62	0	0	115.6
84	E	33.1	Very low	32.2	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.864	80%	0.801	S	S	*	*			cis	-135.2	-178.4	28.9	-62.5	-177.2	124.9	0	0	115.6
85	N	28.7	Very low	32.5	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	81%	0.806	S	S	*	*			trans	-101.7	149.7	174.5	-67.4	-70.8	0	0	0	112
86	I	32.4	Very low	32.5	Very low	169 Å²	169	152.7 Å²	152.7	87%	0.867	82%	0.815	S	S	*	*			trans	-166.5	156.1	147.4	-103.1	149.1	0	0	0	110.5
87	S	28.1	Very low	32.6	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	81%	0.813	S	S	*	*			trans	-165.1	172.2	177.9	-70.7	0	0	0	0	109.5
88	P	36.5	Very low	33.2	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	82%	0.817	S	S	*	*			cis	-134	156.4	-46.7	37.8	-23.9	0	0	0	113.1
89	S	34.3	Very low	33.7	Very low	118 Å²	118	143.5 Å²	143.5	83%	0.825	81%	0.814	S	S	*	*			trans	-167.7	116.4	153.1	-4.7	0	0	0	0	115.2
90	E	29.2	Very low	34.7	Very low	185 Å²	185	137.5 Å²	137.5	86%	0.864	79%	0.792	S	S	*	*			trans	36.5	162	133	-52.3	-166.8	140.3	0	0	125.9
91	I	31.7	Very low	36.1	Very low	145 Å²	145	139.4 Å²	139.4	74%	0.744	79%	0.788	S	S	*	*			trans	90.6	83.2	160.7	-44.4	-171.5	0	0	0	119.1
92	L	29.4	Very low	38.1	Very low	160 Å²	160	136 Å²	136	84%	0.838	76%	0.758	S	S	*	*				39.9	120.2	126.2	-61.8	162.4	0	0	0	120.6
93	S	31.6	Very low	40.2	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	75%	0.746	S	S	*	*				176.7	145	89.7	46.7	0	0	0	0	115.5
94	N	28.4	Very low	42.7	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	72%	0.723	S	S	*	*			trans	34.9	113.2	154.3	-59.8	-6	0	0	0	121.4
95	N	33.9	Very low	45	Very low	165 Å²	165	125.6 Å²	125.6	88%	0.882	70%	0.696	S	S	*	*				-143.2	155.6	126	-135.4	-19.1	0	0	0	110.5
96	Q	35.1	Very low	47.5	Very low	196 Å²	196	123.3 Å²	123.3	92%	0.916	68%	0.682	S	S	*	*			trans	-86.4	131.2	-166.7	-68.6	173.9	-21.7	0	0	112.7
97	G	33.6	Very low	49.3	Very low	77 Å²	77	119.6 Å²	119.6	79%	0.794	66%	0.664	S	S	*	*			trans	-114.8	152.3	177.8	0	0	0	0	0	112.7
98	N	39.7	Very low	51.1	Low	178 Å²	178	122.1 Å²	122.1	95%	0.952	67%	0.669	S	S	*	*			trans	-120.5	57.1	179.7	-162.7	38.7	0	0	0	110.4
99	G	47.5	Very low	52.8	Low	65 Å²	65	120 Å²	120	67%	0.67	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-101.4	148.9	178.9	0	0	0	0	0	112.1	R101	G99-R101 PolarHBondContact O-N 3.04Å
100	V	55.6	Low	54.8	Low	49 Å²	49	120.3 Å²	120.3	30%	0.297	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-63.8	124	179.6	179.1	0	0	0	0	109.6	A117	V100-A117 HydrophobicContact CG1-CB 4.31Å; V100-A117 HydrophobicContact CG2-CB 4.49Å
101	R	63.5	Low	57.5	Low	186 Å²	186	116.1 Å²	116.1	70%	0.702	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-99.2	125.9	-177.3	-171.4	180	-168.4	168	4.7	110.9	G99 R103 E116	G99-R101 PolarHBondContact O-N 3.04Å; R101-R103 PolarHBondContact O-N 3.28Å; R101-E116 VanDerWaalsContact O-CG 3.31Å; R101-E116 WeakPolarHBondContact O-CG 3.49Å; R101-E116 PolarHBondContact O-N 2.74Å
102	W	78.5	Confident	60.2	Low	43 Å²	43	110.1 Å²	110.1	16%	0.163	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.6	117.8	167.5	-65.4	96.8	0	0	0	111	H104 Y113 N115 W122 L146 D148	W102-H104 PolarHBondContact O-N 3.41Å; W102-Y113 HydrophobicContact CB-CD1 4.45Å; W102-N115 HydrophobicContact CE3-CB 4.04Å; W102-N115 HydrophobicContact CH2-CB 3.91Å; W102-N115 HydrophobicContact CZ3-CB 3.54Å; W102-W122 AromaticContact CH2-CD1 3.82Å; W102-W122 AromaticContact CH2-NE1 3.9Å; W102-W122 AromaticContact CZ3-CD1 3.55Å; W102-W122 HydrophobicContact CZ3-CG 4.3Å; W102-L146 HydrophobicContact CD2-CB 4.12Å; W102-L146 HydrophobicContact CD2-CD1 4.15Å; W102-L146 HydrophobicContact CE3-CD1 4.07Å; W102-L146 HydrophobicContact CG-CB 4.49Å; W102-L146 HydrophobicContact CH2-CD2 4Å; W102-L146 HydrophobicContact CZ2-CB 4.01Å; W102-L146 HydrophobicContact CZ2-CD2 4.25Å; W102-L146 HydrophobicContact CZ3-CD1 4.4Å; W102-L146 HydrophobicContact CZ3-CD2 4.19Å; W102-D148 PolarHBondContact NE1-OD1 3.02Å
103	R	81.7	Confident	63	Low	129 Å²	129	105 Å²	105	49%	0.487	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.5	99.5	173.1	-172.7	-171.1	-59	160.3	4.2	109.6	R101 I114 E116	R101-R103 PolarHBondContact O-N 3.28Å; R103-I114 HydrophobicContact CB-CB 4.4Å; R103-I114 PolarHBondContact N-O 3.01Å; R103-I114 PolarHBondContact O-N 3.38Å; R103-E116 HydrophobicContact CB-CG 3.94Å; R103-E116 IonicContact CZ-OE1 3.18Å; R103-E116 IonicContact NE-OE1 2.67Å; R103-E116 PolarHBondContact NE-OE1 3.38Å; R103-E116 IonicContact NH2-OE1 3.4Å; R103-E116 PolarHBondContact NH2-OE1 2.94Å
104	H	84.9	Confident	65.7	Low	87 Å²	87	101 Å²	101	40%	0.403	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131	167.4	176.1	-126.8	0	0	0	110.4	W102 M112 Y113	W102-H104 PolarHBondContact O-N 3.41Å; H104-M112 WeakPolarHBondContact CA-O 3.18Å; H104-M112 PolarHBondContact CD2-O 3.08Å; H104-Y113 HydrophobicContact CB-CD1 4.05Å; H104-Y113 HydrophobicContact CB-CE1 3.92Å; H104-Y113 AromaticContact CD2-CZ 3.87Å
105	C	81	Confident	68.3	Low	43 Å²	43	94.2 Å²	94.2	29%	0.291	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.7	168.8	59.3	0	0	0	0	110.8	M112	C105-M112 PolarHBondContact N-O 2.92Å; C105-M112 VanDerWaalsContact O-CG 3.32Å; C105-M112 WeakPolarHBondContact O-CG 3.47Å; C105-M112 PolarHBondContact O-N 2.89Å; C105-M112 VanDerWaalsContact SG-CG 3.52Å
106	I	81.5	Confident	70.4	Confident	108 Å²	108	90.3 Å²	90.3	55%	0.554	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.1	179.4	-56.4	176.5	0	0	0	108.1	Q110 E111	I106-Q110 CarbonylContact C-O 3.56Å; I106-Q110 WeakPolarHBondContact CA-O 3.45Å; I106-E111 HydrophobicContact CD1-CG 4.48Å; I106-E111 HydrophobicContact CG1-CG 4.23Å
107	N	70.6	Confident	72.3	Confident	91 Å²	91	84.4 Å²	84.4	49%	0.487	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	-179.3	-169.3	-7	0	0	0	109.7	G109 Q110 M112	N107-G109 PolarHBondContact O-N 3.03Å; N107-Q110 PolarHBondContact N-O 3.45Å; N107-Q110 PolarHBondContact O-N 3.28Å; N107-M112 HydrophobicContact CB-SD 4.13Å
108	N	65.2	Low	74.6	Confident	162 Å²	162	84.4 Å²	84.4	87%	0.866	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	30.8	-175.3	-63.5	-29.7	0	0	0	114.9
109	G	72.9	Confident	76.6	Confident	70 Å²	70	81.3 Å²	81.3	72%	0.722	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	4.1	-177.9	0	0	0	0	0	115.5	N107	N107-G109 PolarHBondContact O-N 3.03Å
110	Q	75	Confident	78.3	Confident	125 Å²	125	81.1 Å²	81.1	58%	0.584	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	127.4	167.9	-61.3	-172	-66.2	0	0	109.9	I106 N107	I106-Q110 CarbonylContact C-O 3.56Å; I106-Q110 WeakPolarHBondContact CA-O 3.45Å; N107-Q110 PolarHBondContact N-O 3.45Å; N107-Q110 PolarHBondContact O-N 3.28Å
111	E	85.8	Confident	79.9	Confident	98 Å²	98	83.5 Å²	83.5	46%	0.458	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.6	167.2	-65.7	174	179.1	0	0	109.5	I106 P124	I106-E111 HydrophobicContact CD1-CG 4.48Å; I106-E111 HydrophobicContact CG1-CG 4.23Å; E111-P124 HydrophobicContact CB-CG 4Å; E111-P124 WeakPolarHBondContact O-CD 3.44Å
112	M	88.2	Confident	81.3	Confident	19 Å²	19	75.3 Å²	75.3	9%	0.094	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	153.1	174.2	64.8	-179.7	-70.5	0	0	111.4	H104 C105 N107 I114 K121 W122 V123 L137	H104-M112 WeakPolarHBondContact CA-O 3.18Å; H104-M112 PolarHBondContact CD2-O 3.08Å; C105-M112 PolarHBondContact N-O 2.92Å; C105-M112 VanDerWaalsContact O-CG 3.32Å; C105-M112 WeakPolarHBondContact O-CG 3.47Å; C105-M112 PolarHBondContact O-N 2.89Å; C105-M112 VanDerWaalsContact SG-CG 3.52Å; N107-M112 HydrophobicContact CB-SD 4.13Å; M112-I114 HydrophobicContact CE-CD1 4.03Å; M112-I114 HydrophobicContact CE-CG1 3.94Å; M112-K121 HydrophobicContact CE-CB 3.8Å; M112-K121 HydrophobicContact CE-CD 3.83Å; M112-K121 HydrophobicContact CE-CG 3.8Å; M112-W122 CarbonylContact C-O 3.47Å; M112-W122 WeakPolarHBondContact CA-O 3.37Å; M112-V123 HydrophobicContact CB-CG2 4.05Å; M112-L137 HydrophobicContact CE-CD1 4.25Å
113	Y	88.9	Confident	81.8	Confident	52 Å²	52	73.7 Å²	73.7	20%	0.204	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.5	-176.7	-63.7	-100.4	0	0	0	108.3	W102 H104 W122 P124 Y134 L146	W102-Y113 HydrophobicContact CB-CD1 4.45Å; H104-Y113 HydrophobicContact CB-CD1 4.05Å; H104-Y113 HydrophobicContact CB-CE1 3.92Å; H104-Y113 AromaticContact CD2-CZ 3.87Å; Y113-W122 PolarHBondContact N-O 2.8Å; Y113-W122 PolarHBondContact O-N 3.41Å; Y113-P124 HydrophobicContact CE2-CG 4.15Å; Y113-Y134 HydrophobicContact CD2-CD1 4.16Å; Y113-Y134 AromaticContact CD2-CE1 3.87Å; Y113-Y134 HydrophobicContact CD2-CE1 3.87Å; Y113-Y134 HydrophobicContact CE2-CD1 4.38Å; Y113-Y134 AromaticContact CE2-CE1 3.7Å; Y113-Y134 HydrophobicContact CE2-CE1 3.7Å; Y113-L146 VanDerWaalsContact CB-CD1 3.4Å; Y113-L146 HydrophobicContact CD1-CD1 3.94Å; Y113-L146 HydrophobicContact CD2-CD1 4.04Å; Y113-L146 HydrophobicContact CG-CD1 3.52Å
114	I	87.5	Confident	82.3	Confident	21 Å²	21	69 Å²	69	11%	0.108	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	179.7	-49.3	-174.6	0	0	0	108.7	R103 M112 E116 E120 K121	R103-I114 HydrophobicContact CB-CB 4.4Å; R103-I114 PolarHBondContact N-O 3.01Å; R103-I114 PolarHBondContact O-N 3.38Å; M112-I114 HydrophobicContact CE-CD1 4.03Å; M112-I114 HydrophobicContact CE-CG1 3.94Å; I114-E116 PolarHBondContact O-N 3.15Å; I114-E120 VanDerWaalsContact CA-O 3.31Å; I114-E120 WeakPolarHBondContact CA-O 3.39Å; I114-K121 HydrophobicContact CG1-CG 4.26Å; I114-K121 HydrophobicContact CG2-CG 4.42Å
115	N	83.4	Confident	82.4	Confident	14 Å²	14	66 Å²	66	8%	0.075	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.5	171.1	-170.5	-63.2	0	0	0	108.9	W102 A117 T118 N119 E120	W102-N115 HydrophobicContact CE3-CB 4.04Å; W102-N115 HydrophobicContact CH2-CB 3.91Å; W102-N115 HydrophobicContact CZ3-CB 3.54Å; N115-A117 PolarHBondContact O-N 2.91Å; N115-A117 WeakPolarHBondContact OD1-CA 3.46Å; N115-A117 WeakPolarHBondContact OD1-CB 3.45Å; N115-A117 PolarHBondContact OD1-N 3.29Å; N115-T118 VanDerWaalsContact CB-OG1 3.28Å; N115-T118 WeakPolarHBondContact CB-OG1 3.49Å; N115-T118 VanDerWaalsContact CG-OG1 3.24Å; N115-T118 PolarHBondContact OD1-N 2.87Å; N115-T118 PolarHBondContact OD1-OG1 2.98Å; N115-N119 VanDerWaalsContact O-CA 3.3Å; N115-N119 WeakPolarHBondContact O-CA 3.39Å; N115-N119 PolarHBondContact O-N 3.47Å; N115-E120 HydrophobicContact CB-CB 4.19Å; N115-E120 PolarHBondContact N-O 3.31Å
116	E	77.6	Confident	82.8	Confident	84 Å²	84	68.5 Å²	68.5	39%	0.393	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.1	-176.7	-69.3	-169.2	141.3	0	0	114	R101 R103 I114	R101-E116 VanDerWaalsContact O-CG 3.31Å; R101-E116 WeakPolarHBondContact O-CG 3.49Å; R101-E116 PolarHBondContact O-N 2.74Å; R103-E116 HydrophobicContact CB-CG 3.94Å; R103-E116 IonicContact CZ-OE1 3.18Å; R103-E116 IonicContact NE-OE1 2.67Å; R103-E116 PolarHBondContact NE-OE1 3.38Å; R103-E116 IonicContact NH2-OE1 3.4Å; R103-E116 PolarHBondContact NH2-OE1 2.94Å; I114-E116 PolarHBondContact O-N 3.15Å
117	A	76.1	Confident	82.9	Confident	72 Å²	72	65 Å²	65	60%	0.595	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-44.8	175.9	0	0	0	0	0	112.9	V100 N115	V100-A117 HydrophobicContact CG1-CB 4.31Å; V100-A117 HydrophobicContact CG2-CB 4.49Å; N115-A117 PolarHBondContact O-N 2.91Å; N115-A117 WeakPolarHBondContact OD1-CA 3.46Å; N115-A117 WeakPolarHBondContact OD1-CB 3.45Å; N115-A117 PolarHBondContact OD1-N 3.29Å
118	T	81.7	Confident	83.4	Confident	76 Å²	76	67.7 Å²	67.7	47%	0.466	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-10.3	-174.3	65.6	0	0	0	0	114.6	N115 E120	N115-T118 VanDerWaalsContact CB-OG1 3.28Å; N115-T118 WeakPolarHBondContact CB-OG1 3.49Å; N115-T118 VanDerWaalsContact CG-OG1 3.24Å; N115-T118 PolarHBondContact OD1-N 2.87Å; N115-T118 PolarHBondContact OD1-OG1 2.98Å; T118-E120 WeakPolarHBondContact CB-OE1 3.39Å; T118-E120 WeakPolarHBondContact CG2-OE1 3.38Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 VanDerWaalsContact O-N 3.16Å; T118-E120 VanDerWaalsContact OG1-CG 3.24Å; T118-E120 WeakPolarHBondContact OG1-CG 3.26Å; T118-E120 PolarHBondContact OG1-N 3.17Å; T118-E120 PolarHBondContact OG1-OE1 2.9Å
119	N	81.1	Confident	84.1	Confident	113 Å²	113	69 Å²	69	60%	0.604	37%	0.368	S	S	*	.			trans	58.3	12.3	-170.7	-77.9	-79.7	0	0	0	115.3	N115	N115-N119 VanDerWaalsContact O-CA 3.3Å; N115-N119 WeakPolarHBondContact O-CA 3.39Å; N115-N119 PolarHBondContact O-N 3.47Å
120	E	84.4	Confident	84.6	Confident	62 Å²	62	68.3 Å²	68.3	29%	0.29	36%	0.361	S	S	.	.			trans	-56.9	147.2	169.4	-73.5	163	-126.8	0	0	111.4	I114 N115 T118 W122	I114-E120 VanDerWaalsContact CA-O 3.31Å; I114-E120 WeakPolarHBondContact CA-O 3.39Å; N115-E120 HydrophobicContact CB-CB 4.19Å; N115-E120 PolarHBondContact N-O 3.31Å; T118-E120 WeakPolarHBondContact CB-OE1 3.39Å; T118-E120 WeakPolarHBondContact CG2-OE1 3.38Å; T118-E120 PolarHBondContact O-N 3.42Å; T118-E120 VanDerWaalsContact O-N 3.16Å; T118-E120 VanDerWaalsContact OG1-CG 3.24Å; T118-E120 WeakPolarHBondContact OG1-CG 3.26Å; T118-E120 PolarHBondContact OG1-N 3.17Å; T118-E120 PolarHBondContact OG1-OE1 2.9Å; E120-W122 PolarHBondContact OE2-NE1 2.81Å
121	K	89.2	Confident	85	Confident	98 Å²	98	67.5 Å²	67.5	43%	0.426	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	105.1	-174.4	-66	175.1	-178.2	175.6	0	109.9	M112 I114 L137	M112-K121 HydrophobicContact CE-CB 3.8Å; M112-K121 HydrophobicContact CE-CD 3.83Å; M112-K121 HydrophobicContact CE-CG 3.8Å; I114-K121 HydrophobicContact CG1-CG 4.26Å; I114-K121 HydrophobicContact CG2-CG 4.42Å; K121-L137 HydrophobicContact CB-CB 4.3Å; K121-L137 HydrophobicContact CB-CD1 3.93Å; K121-L137 HydrophobicContact CB-CG 4.31Å; K121-L137 PolarHBondContact O-N 3.03Å
122	W	91.2	Very high	85	Confident	15 Å²	15	65.6 Å²	65.6	6%	0.057	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.1	-175.3	-67.9	82.3	0	0	0	111	W102 M112 Y113 E120 Y135 E136 H141 V143 L146	W102-W122 AromaticContact CH2-CD1 3.82Å; W102-W122 AromaticContact CH2-NE1 3.9Å; W102-W122 AromaticContact CZ3-CD1 3.55Å; W102-W122 HydrophobicContact CZ3-CG 4.3Å; M112-W122 CarbonylContact C-O 3.47Å; M112-W122 WeakPolarHBondContact CA-O 3.37Å; Y113-W122 PolarHBondContact N-O 2.8Å; Y113-W122 PolarHBondContact O-N 3.41Å; E120-W122 PolarHBondContact OE2-NE1 2.81Å; W122-Y135 CarbonylContact C-O 3.55Å; W122-Y135 WeakPolarHBondContact CA-O 3.44Å; W122-Y135 VanDerWaalsContact CE3-C 3.47Å; W122-E136 HydrophobicContact CD2-CB 4.04Å; W122-E136 HydrophobicContact CE3-CB 4.05Å; W122-E136 HydrophobicContact CH2-CB 4.05Å; W122-E136 HydrophobicContact CZ2-CB 4.03Å; W122-E136 HydrophobicContact CZ2-CG 4.47Å; W122-E136 HydrophobicContact CZ3-CB 4.04Å; W122-H141 HydrophobicContact CH2-CB 3.9Å; W122-H141 HydrophobicContact CZ3-CB 4.44Å; W122-V143 HydrophobicContact CE3-CG2 3.94Å; W122-V143 HydrophobicContact CH2-CG1 3.82Å; W122-V143 HydrophobicContact CH2-CG2 4.1Å; W122-V143 HydrophobicContact CZ3-CB 4.32Å; W122-V143 HydrophobicContact CZ3-CG1 4.01Å; W122-V143 HydrophobicContact CZ3-CG2 3.62Å; W122-L146 HydrophobicContact CB-CD1 4.33Å; W122-L146 HydrophobicContact CB-CD2 3.75Å; W122-L146 HydrophobicContact CD2-CD2 3.87Å; W122-L146 HydrophobicContact CE3-CD2 4.21Å; W122-L146 HydrophobicContact CG-CD2 3.67Å
123	V	89.9	Confident	85.2	Confident	9 Å²	9	68 Å²	68	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.1	-178.9	176.6	0	0	0	0	109.2	M112 Y134 Y135 L137	M112-V123 HydrophobicContact CB-CG2 4.05Å; V123-Y134 CarbonylContact O-C 3.55Å; V123-Y134 WeakPolarHBondContact O-CA 3.02Å; V123-Y135 HydrophobicContact CB-CD1 4.28Å; V123-Y135 HydrophobicContact CB-CE1 3.72Å; V123-Y135 HydrophobicContact CB-CE2 4.18Å; V123-Y135 HydrophobicContact CG1-CE1 3.69Å; V123-Y135 WeakPolarHBondContact CG1-OH 3.17Å; V123-Y135 PolarHBondContact N-O 2.68Å; V123-Y135 VanDerWaalsContact O-CD1 3.22Å; V123-Y135 WeakPolarHBondContact O-CD1 3.38Å; V123-Y135 PolarHBondContact O-N 3.2Å; V123-L137 HydrophobicContact CG2-CD1 4.22Å; V123-L137 HydrophobicContact CG2-CD2 3.77Å; V123-L137 HydrophobicContact CG2-CG 3.89Å
124	P	91.8	Very high	85.3	Confident	31 Å²	31	67.6 Å²	67.6	20%	0.201	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.7	175	30.7	-34.2	0	0	0	111	E111 Y113 T132 Y133 Y134	E111-P124 HydrophobicContact CB-CG 4Å; E111-P124 WeakPolarHBondContact O-CD 3.44Å; Y113-P124 HydrophobicContact CE2-CG 4.15Å; P124-T132 HydrophobicContact CB-CG2 4Å; P124-Y133 WeakPolarHBondContact CA-O 3.43Å; P124-Y134 HydrophobicContact CB-CD1 4.03Å; P124-Y134 HydrophobicContact CB-CE1 3.89Å
125	A	87.3	Confident	85.5	Confident	24 Å²	24	70.3 Å²	70.3	20%	0.198	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.7	168.7	0	0	0	0	0	109.1	T132 Y133 Y135	A125-T132 CarbonylContact O-C 3.57Å; A125-T132 WeakPolarHBondContact O-CA 3.5Å; A125-Y133 HydrophobicContact CB-CD1 4.4Å; A125-Y133 HydrophobicContact CB-CD2 4.44Å; A125-Y133 HydrophobicContact CB-CE1 3.79Å; A125-Y133 HydrophobicContact CB-CE2 3.85Å; A125-Y133 VanDerWaalsContact CB-CZ 3.49Å; A125-Y133 PolarHBondContact N-O 3.19Å; A125-Y133 WeakPolarHBondContact O-CD1 3.18Å; A125-Y133 PolarHBondContact O-N 3.17Å; A125-Y135 HydrophobicContact CB-CD1 3.99Å; A125-Y135 HydrophobicContact CB-CE1 3.99Å
126	T	88.5	Confident	85.9	Confident	94 Å²	94	71.5 Å²	71.5	58%	0.577	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	174.7	37.6	0	0	0	0	110.9
127	D	84.6	Confident	86.2	Confident	35 Å²	35	70.5 Å²	70.5	19%	0.187	37%	0.369	C	S	.	.			trans	-76.4	178.2	174.4	82.7	-7.9	0	0	0	112.2	Y129 G130 K131 Y133 W144	D127-Y129 PolarHBondContact O-N 2.98Å; D127-Y129 VanDerWaalsContact O-N 3.11Å; D127-Y129 VanDerWaalsContact OD1-C 3.31Å; D127-Y129 VanDerWaalsContact OD1-CA 3.29Å; D127-Y129 WeakPolarHBondContact OD1-CA 3.48Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.2Å; D127-Y129 PolarHBondContact OD1-N 3.49Å; D127-Y129 WeakPolarHBondContact OD2-CD2 3.42Å; D127-G130 PolarHBondContact O-N 2.96Å; D127-G130 PolarHBondContact OD1-N 3.03Å; D127-K131 PolarHBondContact N-O 3.04Å; D127-K131 PolarHBondContact OD1-N 2.78Å; D127-Y133 HydrophobicContact CB-CD1 4.13Å; D127-Y133 HydrophobicContact CB-CE1 4.25Å; D127-W144 HydrophobicContact CB-CH2 4.03Å; D127-W144 HydrophobicContact CB-CZ3 4.31Å; D127-W144 VanDerWaalsContact OD2-CH2 3.3Å; D127-W144 WeakPolarHBondContact OD2-CH2 3.41Å
128	Q	81.4	Confident	86.4	Confident	148 Å²	148	75.1 Å²	75.1	69%	0.692	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.7	178.5	68.9	-173.7	8.9	0	0	114.8
129	Y	80.6	Confident	86.6	Confident	189 Å²	189	74.5 Å²	74.5	74%	0.741	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-2	175.8	-55.1	-68.3	0	0	0	112.4	D127	D127-Y129 PolarHBondContact O-N 2.98Å; D127-Y129 VanDerWaalsContact O-N 3.11Å; D127-Y129 VanDerWaalsContact OD1-C 3.31Å; D127-Y129 VanDerWaalsContact OD1-CA 3.29Å; D127-Y129 WeakPolarHBondContact OD1-CA 3.48Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.2Å; D127-Y129 PolarHBondContact OD1-N 3.49Å; D127-Y129 WeakPolarHBondContact OD2-CD2 3.42Å
130	G	81.8	Confident	86.7	Confident	55 Å²	55	79.7 Å²	79.7	57%	0.567	39%	0.391	S	S	*	.	S	Bend	trans	84	9.3	-177.2	0	0	0	0	0	114.5	D127	D127-G130 PolarHBondContact O-N 2.96Å; D127-G130 PolarHBondContact OD1-N 3.03Å
131	K	83	Confident	86.7	Confident	109 Å²	109	82.7 Å²	82.7	47%	0.474	41%	0.405	S	S	.	.			trans	-83	128.3	175	-173	-177.5	173.8	-160.8	0	109.6	D127 W144	D127-K131 PolarHBondContact N-O 3.04Å; D127-K131 PolarHBondContact OD1-N 2.78Å; K131-W144 HydrophobicContact CB-CZ3 3.99Å; K131-W144 HydrophobicContact CD-CD2 4.31Å; K131-W144 HydrophobicContact CD-CE3 3.53Å; K131-W144 HydrophobicContact CD-CH2 4.33Å; K131-W144 HydrophobicContact CD-CZ3 3.55Å; K131-W144 VanDerWaalsContact CE-CE3 3.4Å; K131-W144 HydrophobicContact CG-CE3 3.88Å; K131-W144 HydrophobicContact CG-CZ3 3.73Å
132	T	86.5	Confident	86.7	Confident	58 Å²	58	81.8 Å²	81.8	36%	0.356	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.8	173.7	-49.8	0	0	0	0	110.6	P124 A125 Y134	P124-T132 HydrophobicContact CB-CG2 4Å; A125-T132 CarbonylContact O-C 3.57Å; A125-T132 WeakPolarHBondContact O-CA 3.5Å; T132-Y134 HydrophobicContact CG2-CE2 4.34Å
133	Y	92.1	Very high	86.6	Confident	69 Å²	69	83.5 Å²	83.5	27%	0.271	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.9	161.9	68.5	-87.6	0	0	0	108.4	P124 A125 D127 Y135 V143 W144	P124-Y133 WeakPolarHBondContact CA-O 3.43Å; A125-Y133 HydrophobicContact CB-CD1 4.4Å; A125-Y133 HydrophobicContact CB-CD2 4.44Å; A125-Y133 HydrophobicContact CB-CE1 3.79Å; A125-Y133 HydrophobicContact CB-CE2 3.85Å; A125-Y133 VanDerWaalsContact CB-CZ 3.49Å; A125-Y133 PolarHBondContact N-O 3.19Å; A125-Y133 WeakPolarHBondContact O-CD1 3.18Å; A125-Y133 PolarHBondContact O-N 3.17Å; D127-Y133 HydrophobicContact CB-CD1 4.13Å; D127-Y133 HydrophobicContact CB-CE1 4.25Å; Y133-Y135 HydrophobicContact CE2-CD1 4.27Å; Y133-V143 CarbonylContact C-O 3.57Å; Y133-V143 WeakPolarHBondContact CA-O 3.44Å; Y133-V143 WeakPolarHBondContact CB-O 3.45Å; Y133-W144 HydrophobicContact CD1-CZ3 4.38Å
134	Y	92.3	Very high	86.5	Confident	43 Å²	43	89.6 Å²	89.6	17%	0.169	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.1	176	-58.8	-94.7	0	0	0	108.7	Y113 V123 P124 T132 S142 V143 L146	Y113-Y134 HydrophobicContact CD2-CD1 4.16Å; Y113-Y134 AromaticContact CD2-CE1 3.87Å; Y113-Y134 HydrophobicContact CD2-CE1 3.87Å; Y113-Y134 HydrophobicContact CE2-CD1 4.38Å; Y113-Y134 AromaticContact CE2-CE1 3.7Å; Y113-Y134 HydrophobicContact CE2-CE1 3.7Å; V123-Y134 CarbonylContact O-C 3.55Å; V123-Y134 WeakPolarHBondContact O-CA 3.02Å; P124-Y134 HydrophobicContact CB-CD1 4.03Å; P124-Y134 HydrophobicContact CB-CE1 3.89Å; T132-Y134 HydrophobicContact CG2-CE2 4.34Å; Y134-S142 CarbonylContact O-C 3.53Å; Y134-S142 WeakPolarHBondContact O-CA 3.49Å; Y134-S142 WeakPolarHBondContact O-CB 3.36Å; Y134-V143 PolarHBondContact N-O 3.02Å; Y134-V143 PolarHBondContact O-N 3.36Å; Y134-L146 HydrophobicContact CD1-CD1 3.63Å; Y134-L146 HydrophobicContact CD1-CD2 4.24Å; Y134-L146 HydrophobicContact CD1-CG 3.75Å; Y134-L146 HydrophobicContact CD2-CD2 4.31Å; Y134-L146 HydrophobicContact CD2-CG 3.83Å; Y134-L146 HydrophobicContact CE1-CD1 3.78Å; Y134-L146 HydrophobicContact CE1-CG 4.07Å; Y134-L146 HydrophobicContact CE2-CG 4.17Å; Y134-L146 HydrophobicContact CG-CD1 4.05Å; Y134-L146 HydrophobicContact CG-CD2 3.85Å; Y134-L146 HydrophobicContact CG-CG 3.62Å
135	Y	91.8	Very high	86.2	Confident	79 Å²	79	90.3 Å²	90.3	31%	0.31	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.8	173.6	71.1	-87.5	0	0	0	111.5	W122 V123 A125 Y133 L137 H141	W122-Y135 CarbonylContact C-O 3.55Å; W122-Y135 WeakPolarHBondContact CA-O 3.44Å; W122-Y135 VanDerWaalsContact CE3-C 3.47Å; V123-Y135 HydrophobicContact CB-CD1 4.28Å; V123-Y135 HydrophobicContact CB-CE1 3.72Å; V123-Y135 HydrophobicContact CB-CE2 4.18Å; V123-Y135 HydrophobicContact CG1-CE1 3.69Å; V123-Y135 WeakPolarHBondContact CG1-OH 3.17Å; V123-Y135 PolarHBondContact N-O 2.68Å; V123-Y135 VanDerWaalsContact O-CD1 3.22Å; V123-Y135 WeakPolarHBondContact O-CD1 3.38Å; V123-Y135 PolarHBondContact O-N 3.2Å; A125-Y135 HydrophobicContact CB-CD1 3.99Å; A125-Y135 HydrophobicContact CB-CE1 3.99Å; Y133-Y135 HydrophobicContact CE2-CD1 4.27Å; Y135-L137 HydrophobicContact CE2-CD2 4.26Å; Y135-H141 WeakPolarHBondContact CA-O 3.31Å
136	E	91.1	Very high	85.9	Confident	38 Å²	38	90.5 Å²	90.5	18%	0.178	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.3	-177.7	-172.9	-163.1	178.6	0	0	111	W122 N138 T139 H141	W122-E136 HydrophobicContact CD2-CB 4.04Å; W122-E136 HydrophobicContact CE3-CB 4.05Å; W122-E136 HydrophobicContact CH2-CB 4.05Å; W122-E136 HydrophobicContact CZ2-CB 4.03Å; W122-E136 HydrophobicContact CZ2-CG 4.47Å; W122-E136 HydrophobicContact CZ3-CB 4.04Å; E136-N138 PolarHBondContact O-N 3.07Å; E136-T139 WeakPolarHBondContact CB-OG1 3.1Å; E136-T139 HydrophobicContact CG-CG2 4.11Å; E136-T139 PolarHBondContact O-N 2.74Å; E136-T139 WeakPolarHBondContact OE1-CG2 3.31Å; E136-T139 WeakPolarHBondContact OE2-CB 3.34Å; E136-T139 WeakPolarHBondContact OE2-CG2 3.46Å; E136-T139 PolarHBondContact OE2-OG1 2.92Å; E136-H141 HydrophobicContact CB-CB 4.44Å; E136-H141 PolarHBondContact N-O 2.94Å; E136-H141 VanDerWaalsContact N-O 3.11Å; E136-H141 IonicContact OE2-ND1 2.95Å
137	L	83.8	Confident	85.1	Confident	63 Å²	63	92.7 Å²	92.7	33%	0.33	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	128.3	178.6	-72.5	-179.6	0	0	0	111.8	M112 K121 V123 Y135 T139	M112-L137 HydrophobicContact CE-CD1 4.25Å; K121-L137 HydrophobicContact CB-CB 4.3Å; K121-L137 HydrophobicContact CB-CD1 3.93Å; K121-L137 HydrophobicContact CB-CG 4.31Å; K121-L137 PolarHBondContact O-N 3.03Å; V123-L137 HydrophobicContact CG2-CD1 4.22Å; V123-L137 HydrophobicContact CG2-CD2 3.77Å; V123-L137 HydrophobicContact CG2-CG 3.89Å; Y135-L137 HydrophobicContact CE2-CD2 4.26Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 3.35Å
138	N	80.4	Confident	83.9	Confident	169 Å²	169	95.7 Å²	95.7	90%	0.904	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	-0.5	179.6	-42.7	-80.1	0	0	0	116.4	E136	E136-N138 PolarHBondContact O-N 3.07Å
139	T	85.1	Confident	81.9	Confident	64 Å²	64	95 Å²	95	39%	0.393	47%	0.471	S	S	.	.	S	Bend	trans	-109.4	-155.8	175	86.9	0	0	0	0	111.5	E136 L137 H141	E136-T139 WeakPolarHBondContact CB-OG1 3.1Å; E136-T139 HydrophobicContact CG-CG2 4.11Å; E136-T139 PolarHBondContact O-N 2.74Å; E136-T139 WeakPolarHBondContact OE1-CG2 3.31Å; E136-T139 WeakPolarHBondContact OE2-CB 3.34Å; E136-T139 WeakPolarHBondContact OE2-CG2 3.46Å; E136-T139 PolarHBondContact OE2-OG1 2.92Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 3.35Å; T139-H141 PolarHBondContact OG1-N 2.99Å
140	R	83.1	Confident	79.6	Confident	221 Å²	221	94.7 Å²	94.7	83%	0.834	48%	0.476	S	S	*	.			trans	-127.4	10.8	173.1	-66.6	-175.1	173.2	-152.4	-6.8	112.1
141	H	85.1	Confident	77.1	Confident	125 Å²	125	98.5 Å²	98.5	58%	0.579	49%	0.489	S	S	*	.			trans	-79.3	138.5	-179.5	-70.4	178.6	0	0	0	110.8	W122 Y135 E136 T139	W122-H141 HydrophobicContact CH2-CB 3.9Å; W122-H141 HydrophobicContact CZ3-CB 4.44Å; Y135-H141 WeakPolarHBondContact CA-O 3.31Å; E136-H141 HydrophobicContact CB-CB 4.44Å; E136-H141 PolarHBondContact N-O 2.94Å; E136-H141 VanDerWaalsContact N-O 3.11Å; E136-H141 IonicContact OE2-ND1 2.95Å; T139-H141 PolarHBondContact OG1-N 2.99Å
142	S	89	Confident	74.5	Confident	79 Å²	79	98.2 Å²	98.2	55%	0.552	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.9	171.3	56.5	0	0	0	0	111.1	Y134	Y134-S142 CarbonylContact O-C 3.53Å; Y134-S142 WeakPolarHBondContact O-CA 3.49Å; Y134-S142 WeakPolarHBondContact O-CB 3.36Å
143	V	89.8	Confident	71.7	Confident	52 Å²	52	101.4 Å²	101.4	32%	0.315	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.6	-176.8	-63	0	0	0	0	110.5	W122 Y133 Y134 A145 L146	W122-V143 HydrophobicContact CE3-CG2 3.94Å; W122-V143 HydrophobicContact CH2-CG1 3.82Å; W122-V143 HydrophobicContact CH2-CG2 4.1Å; W122-V143 HydrophobicContact CZ3-CB 4.32Å; W122-V143 HydrophobicContact CZ3-CG1 4.01Å; W122-V143 HydrophobicContact CZ3-CG2 3.62Å; Y133-V143 CarbonylContact C-O 3.57Å; Y133-V143 WeakPolarHBondContact CA-O 3.44Å; Y133-V143 WeakPolarHBondContact CB-O 3.45Å; Y134-V143 PolarHBondContact N-O 3.02Å; Y134-V143 PolarHBondContact O-N 3.36Å; V143-A145 WeakPolarHBondContact CG2-O 3.35Å; V143-L146 HydrophobicContact CG2-CD2 4.04Å
144	W	88	Confident	68.8	Low	136 Å²	136	104.2 Å²	104.2	52%	0.515	54%	0.544	S	S	.	.	S	Bend	trans	-83.5	-17.7	-179.5	-71.7	108.7	0	0	0	114.1	D127 K131 Y133	D127-W144 HydrophobicContact CB-CH2 4.03Å; D127-W144 HydrophobicContact CB-CZ3 4.31Å; D127-W144 VanDerWaalsContact OD2-CH2 3.3Å; D127-W144 WeakPolarHBondContact OD2-CH2 3.41Å; K131-W144 HydrophobicContact CB-CZ3 3.99Å; K131-W144 HydrophobicContact CD-CD2 4.31Å; K131-W144 HydrophobicContact CD-CE3 3.53Å; K131-W144 HydrophobicContact CD-CH2 4.33Å; K131-W144 HydrophobicContact CD-CZ3 3.55Å; K131-W144 VanDerWaalsContact CE-CE3 3.4Å; K131-W144 HydrophobicContact CG-CE3 3.88Å; K131-W144 HydrophobicContact CG-CZ3 3.73Å; Y133-W144 HydrophobicContact CD1-CZ3 4.38Å
145	A	84.6	Confident	65.8	Low	46 Å²	46	110.4 Å²	110.4	38%	0.38	58%	0.575	S	S	.	*	S	Bend	trans	-143.9	148.8	172.3	0	0	0	0	0	108.2	V143 E147	V143-A145 WeakPolarHBondContact CG2-O 3.35Å; A145-E147 VanDerWaalsContact C-N 3.32Å; A145-E147 HydrophobicContact CB-CG 4.16Å; A145-E147 PolarHBondContact O-N 3.16Å
146	L	82.4	Confident	62.9	Low	29 Å²	29	111.3 Å²	111.3	15%	0.152	60%	0.599	C	S	.	*			trans	-82.1	88.8	162.3	-64.2	178.6	0	0	0	106.7	W102 Y113 W122 Y134 V143	W102-L146 HydrophobicContact CD2-CB 4.12Å; W102-L146 HydrophobicContact CD2-CD1 4.15Å; W102-L146 HydrophobicContact CE3-CD1 4.07Å; W102-L146 HydrophobicContact CG-CB 4.49Å; W102-L146 HydrophobicContact CH2-CD2 4Å; W102-L146 HydrophobicContact CZ2-CB 4.01Å; W102-L146 HydrophobicContact CZ2-CD2 4.25Å; W102-L146 HydrophobicContact CZ3-CD1 4.4Å; W102-L146 HydrophobicContact CZ3-CD2 4.19Å; Y113-L146 VanDerWaalsContact CB-CD1 3.4Å; Y113-L146 HydrophobicContact CD1-CD1 3.94Å; Y113-L146 HydrophobicContact CD2-CD1 4.04Å; Y113-L146 HydrophobicContact CG-CD1 3.52Å; W122-L146 HydrophobicContact CB-CD1 4.33Å; W122-L146 HydrophobicContact CB-CD2 3.75Å; W122-L146 HydrophobicContact CD2-CD2 3.87Å; W122-L146 HydrophobicContact CE3-CD2 4.21Å; W122-L146 HydrophobicContact CG-CD2 3.67Å; Y134-L146 HydrophobicContact CD1-CD1 3.63Å; Y134-L146 HydrophobicContact CD1-CD2 4.24Å; Y134-L146 HydrophobicContact CD1-CG 3.75Å; Y134-L146 HydrophobicContact CD2-CD2 4.31Å; Y134-L146 HydrophobicContact CD2-CG 3.83Å; Y134-L146 HydrophobicContact CE1-CD1 3.78Å; Y134-L146 HydrophobicContact CE1-CG 4.07Å; Y134-L146 HydrophobicContact CE2-CG 4.17Å; Y134-L146 HydrophobicContact CG-CD1 4.05Å; Y134-L146 HydrophobicContact CG-CD2 3.85Å; Y134-L146 HydrophobicContact CG-CG 3.62Å; V143-L146 HydrophobicContact CG2-CD2 4.04Å
147	E	71.4	Confident	60.1	Low	139 Å²	139	114.7 Å²	114.7	65%	0.65	62%	0.624	S	S	*	*			trans	-71.8	133.4	175.5	-70.2	170.7	-168.1	0	0	108.9	A145 L149	A145-E147 VanDerWaalsContact C-N 3.32Å; A145-E147 HydrophobicContact CB-CG 4.16Å; A145-E147 PolarHBondContact O-N 3.16Å; E147-L149 VanDerWaalsContact C-N 3.33Å; E147-L149 HydrophobicContact CB-CD1 4.46Å; E147-L149 PolarHBondContact O-N 2.71Å
148	D	58.6	Low	57.5	Low	98 Å²	98	118.5 Å²	118.5	52%	0.524	64%	0.644	S	S	.	*			trans	-70.2	94.4	167.5	-63.9	-25.3	0	0	0	106.7	W102 E150	W102-D148 PolarHBondContact NE1-OD1 3.02Å; D148-E150 PolarHBondContact O-N 2.91Å
149	L	39	Very low	55.1	Low	135 Å²	135	118.8 Å²	118.8	71%	0.707	65%	0.645	S	S	*	*			trans	-63.9	97.2	178.6	-96.1	86	0	0	0	109.9	E147	E147-L149 VanDerWaalsContact C-N 3.33Å; E147-L149 HydrophobicContact CB-CD1 4.46Å; E147-L149 PolarHBondContact O-N 2.71Å
150	E	31.9	Very low	52.5	Low	181 Å²	181	119.9 Å²	119.9	85%	0.846	66%	0.655	S	S	*	*			trans	-56.8	137.2	155.5	-66.5	-167	145.6	0	0	108.8	D148 S152	D148-E150 PolarHBondContact O-N 2.91Å; E150-S152 PolarHBondContact O-N 3.21Å
151	T	30.3	Very low	50	Low	135 Å²	135	116.1 Å²	116.1	83%	0.828	65%	0.652	S	S	*	*			trans	-63.8	111.6	-176.7	-16	0	0	0	0	109.5	V153	T151-V153 VanDerWaalsContact C-N 3.28Å; T151-V153 PolarHBondContact O-N 3.19Å
152	S	29.1	Very low	47.6	Very low	103 Å²	103	115.3 Å²	115.3	72%	0.72	66%	0.66	S	S	*	*			trans	-70.9	82	-179.5	50.3	0	0	0	0	111.7	E150 T154	E150-S152 PolarHBondContact O-N 3.21Å; S152-T154 PolarHBondContact O-N 2.91Å
153	V	27.3	Very low	44.8	Very low	125 Å²	125	118.7 Å²	118.7	76%	0.758	67%	0.671	S	S	*	*			trans	-70.6	82.8	166.8	-176.3	0	0	0	0	108.1	T151 E155	T151-V153 VanDerWaalsContact C-N 3.28Å; T151-V153 PolarHBondContact O-N 3.19Å; V153-E155 PolarHBondContact O-N 3.32Å
154	T	30.5	Very low	41.8	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	69%	0.689	S	S	*	*			trans	-86.8	106.8	172.3	-49.7	0	0	0	0	108.5	S152	S152-T154 PolarHBondContact O-N 2.91Å
155	E	30	Very low	39.2	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.5	138.1	-176.2	-59.9	176.2	125.2	0	0	112.1	V153	V153-E155 PolarHBondContact O-N 3.32Å
156	A	30.1	Very low	36.6	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-82.3	127.5	170.2	0	0	0	0	0	109.7
157	P	32.5	Very low	34.3	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-80.5	133.1	-173.5	30.1	-34.5	0	0	0	113.6
158	N	28.9	Very low	32.4	Very low	143 Å²	143	133.1 Å²	133.1	77%	0.765	74%	0.742	S	S	*	*			trans	56.9	106.4	142.6	-53.3	-27.7	0	0	0	119.3
159	L	31.6	Very low	31.3	Very low	176 Å²	176	134.2 Å²	134.2	92%	0.921	75%	0.747	S	S	*	*				-178.9	171.7	100.4	-94.8	156.8	0	0	0	112
160	S	29.1	Very low	31.1	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	75%	0.754	S	S	*	*			trans	-100.5	167.6	-155.9	59	0	0	0	0	117
161	D	31.5	Very low	31.1	Very low	141 Å²	141	130.2 Å²	130.2	75%	0.754	75%	0.748	S	S	*	*			trans	93.9	145.8	147.2	-64.2	-54.3	0	0	0	122.9
162	S	33.9	Very low	31.3	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	75%	0.749	S	S	*	*			trans	73	71.5	160.4	57.6	0	0	0	0	120.9
163	L	30	Very low	31.5	Very low	150 Å²	150	133.4 Å²	133.4	79%	0.785	75%	0.751	S	S	*	*				38.3	122.6	116.5	-67.7	164.6	0	0	0	121.2
164	N	28.2	Very low	31.8	Very low	126 Å²	126	133.6 Å²	133.6	67%	0.674	76%	0.755	S	S	*	*				77.9	136.4	129.1	-68.4	-3.9	0	0	0	122.8
165	N	31.6	Very low	32	Very low	129 Å²	129	132.7 Å²	132.7	69%	0.69	75%	0.754	S	S	*	*			trans	72	153.7	144.9	-63.1	-8.6	0	0	0	117.6
166	Y	31	Very low	32.3	Very low	182 Å²	182	133.7 Å²	133.7	71%	0.714	76%	0.756	S	S	*	*			cis	-159.2	143.3	-4.9	-132.6	-148.1	0	0	0	110.2
167	L	34.1	Very low	32.5	Very low	135 Å²	135	137.5 Å²	137.5	71%	0.707	76%	0.757	S	S	*	*			trans	58.5	174.4	153	-58.5	176.4	0	0	0	119.8
168	D	31.9	Very low	32.4	Very low	132 Å²	132	135.9 Å²	135.9	71%	0.706	76%	0.759	S	S	*	*			cis	179.8	179.9	-46.1	-165.6	5.4	0	0	0	108.3
169	I	35.3	Very low	32.6	Very low	122 Å²	122	137.5 Å²	137.5	63%	0.626	77%	0.767	S	S	*	*			trans	88.8	127.8	151.7	-68.7	163.2	0	0	0	120.5
170	N	34.8	Very low	32.4	Very low	162 Å²	162	136.2 Å²	136.2	87%	0.866	76%	0.761	S	S	*	*			trans	67.9	141.3	166.4	-63.3	-27.6	0	0	0	118.5
171	G	32	Very low	32.3	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	76%	0.764	S	S	*	*			cis	173.8	159.6	-2.7	0	0	0	0	0	108
172	L	34.3	Very low	32	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	76%	0.759	S	S	*	*			cis	-168.1	170.3	30	-102.5	159.9	0	0	0	111.4
173	N	33.5	Very low	31.9	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	76%	0.758	S	S	*	*			trans	70.2	110.9	156.8	-63.5	-15.5	0	0	0	122.3
174	P	33.7	Very low	31.9	Very low	128 Å²	128	135.7 Å²	135.7	83%	0.831	76%	0.755	S	S	*	*			trans	-124.2	151	160.4	38.6	-26.9	0	0	0	114.7
175	S	34.9	Very low	31.9	Very low	109 Å²	109	137 Å²	137	76%	0.762	76%	0.756	S	S	*	*			trans	-163.3	119.2	159.6	60.5	0	0	0	0	114.3
176	K	35.2	Very low	31.9	Very low	196 Å²	196	137.2 Å²	137.2	85%	0.852	76%	0.758	S	S	*	*			trans	47.9	140	131.1	-64.8	-166.5	-179.6	-172.1	0	119.8
177	E	33.6	Very low	31.9	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	76%	0.756	S	S	*	*			cis	-139	158.6	14	-60.4	-176.5	146.9	0	0	110.1
178	G	30.6	Very low	31.8	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	76%	0.755	S	S	*	*				77.1	122.4	100.4	0	0	0	0	0	113.6
179	L	33	Very low	31.8	Very low	178 Å²	178	136.1 Å²	136.1	93%	0.932	76%	0.76	S	S	*	*			cis	-153.5	164.7	24.6	-87.5	157.5	0	0	0	113.8
180	N	28.3	Very low	31.3	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	77%	0.766	S	S	*	*			trans	-67.1	176	167.6	-80.4	-4	0	0	0	113
181	C	26.4	Very low	31.1	Very low	98 Å²	98	133.7 Å²	133.7	66%	0.662	77%	0.766	S	S	*	*			cis	-161.8	138.5	6.6	-125.1	0	0	0	0	107.8
182	S	26.1	Very low	30.9	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	77%	0.768	S	S	*	*				75.3	157.5	86.8	81	0	0	0	0	118
183	V	31.9	Very low	30.8	Very low	125 Å²	125	138 Å²	138	76%	0.758	76%	0.763	S	S	*	*			trans	79.4	141.2	165.8	-179	0	0	0	0	115.4
184	F	28.8	Very low	30.5	Very low	161 Å²	161	137 Å²	137	71%	0.706	76%	0.758	S	S	*	*			cis	-172.4	168.4	-36.5	-109.2	-68.8	0	0	0	107.1
185	E	29.5	Very low	30.5	Very low	152 Å²	152	139.9 Å²	139.9	71%	0.71	76%	0.76	S	S	*	*			trans	30.8	146.5	141.5	-74.1	154.5	-156.8	0	0	122.5
186	D	30.7	Very low	30.3	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	77%	0.765	S	S	*	*			cis	-165.6	176.1	-8.2	-137.2	-21.3	0	0	0	113.3
187	E	31.6	Very low	30.3	Very low	147 Å²	147	140.9 Å²	140.9	69%	0.687	76%	0.757	S	S	*	*			trans	53.3	142.2	146.9	-74.7	-148.2	138.2	0	0	125.8
188	N	31.2	Very low	30.2	Very low	125 Å²	125	137.4 Å²	137.4	67%	0.668	75%	0.753	S	S	*	*			trans	62.3	144.6	142.8	-68	-39.3	0	0	0	120.3
189	N	31.5	Very low	30.2	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	75%	0.752	S	S	*	*			cis	-154.2	-174.2	15.5	-150.5	-28.4	0	0	0	112.3
190	C	25	Very low	30.1	Very low	111 Å²	111	136 Å²	136	75%	0.75	74%	0.741	S	S	*	*			trans	-103.3	143.8	-173.4	178.1	0	0	0	0	114.7
191	S	31.4	Very low	30.2	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	74%	0.74	S	S	*	*			trans	-169.4	144.9	139.6	53.5	0	0	0	0	116.5
192	Y	27.9	Very low	30.4	Very low	199 Å²	199	141.4 Å²	141.4	78%	0.78	75%	0.745	S	S	*	*			trans	-64.6	158.7	178.7	178.1	-112.3	0	0	0	117.7
193	V	32.4	Very low	30.8	Very low	121 Å²	121	141.2 Å²	141.2	73%	0.733	74%	0.743	S	S	*	*			trans	162.1	138.4	133.8	158.2	0	0	0	0	112.6
194	D	27.6	Very low	30.9	Very low	124 Å²	124	139.7 Å²	139.7	66%	0.663	74%	0.738	S	S	*	*			trans	-87	155.4	175	-74.8	-71.5	0	0	0	115
195	Q	32.6	Very low	31.2	Very low	188 Å²	188	139.7 Å²	139.7	88%	0.879	74%	0.744	S	S	*	*				-177.9	149.1	127.6	-99.1	158.5	47.8	0	0	115.8
196	Y	30.5	Very low	31.4	Very low	220 Å²	220	136.3 Å²	136.3	86%	0.863	74%	0.737	S	S	*	*			trans	-117	177	168	-94.4	-70	0	0	0	107.9
197	P	35.6	Very low	31.7	Very low	106 Å²	106	139 Å²	139	69%	0.688	74%	0.743	S	S	*	*			cis	-151.1	-174.6	26	44.6	-23.1	0	0	0	119.3
198	S	31.4	Very low	31.8	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	75%	0.745	S	S	*	*			trans	77.9	159.2	143	84.5	0	0	0	0	120.7
199	V	30.5	Very low	32	Very low	123 Å²	123	137.6 Å²	137.6	75%	0.745	74%	0.744	S	S	*	*			cis	-168.9	151.5	-19.8	132.5	0	0	0	0	110.8
200	S	31.2	Very low	32	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	74%	0.744	S	S	*	*			trans	68.2	159.2	161.5	-76.7	0	0	0	0	119.9
201	R	30.8	Very low	32.5	Very low	206 Å²	206	146.7 Å²	146.7	78%	0.777	75%	0.751	S	S	*	*			cis	-167.4	148.2	-16.7	-114.3	176.9	172.7	-178.4	-0.7	111.6
202	M	30	Very low	32.6	Very low	154 Å²	154	146.5 Å²	146.5	76%	0.759	74%	0.744	S	S	*	*			trans	60.3	155.7	143.9	-67.9	172	70.7	0	0	120.9
203	S	34	Very low	32.8	Very low	88 Å²	88	145.3 Å²	145.3	62%	0.615	75%	0.748	S	S	*	*			cis	-173.6	167.7	-22.7	57	0	0	0	0	112
204	S	34.3	Very low	32.9	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	74%	0.738	S	S	*	*			trans	112.7	117.4	142.5	-56.3	0	0	0	0	122.2
205	I	35.5	Very low	33.4	Very low	160 Å²	160	145.3 Å²	145.3	82%	0.821	75%	0.745	S	S	*	*				67.6	138.9	125.9	-62.2	173.3	0	0	0	120.2
206	S	34.9	Very low	33.5	Very low	81 Å²	81	140 Å²	140	57%	0.566	73%	0.728	S	S	*	*			cis	-176.7	164.4	-22.7	71.3	0	0	0	0	112.7
207	K	36.1	Very low	33.9	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	73%	0.727	S	S	*	*			trans	70.8	153.4	150.6	-74.7	170.1	-179.3	172.5	0	119.8
208	V	34.3	Very low	34	Very low	123 Å²	123	138 Å²	138	75%	0.745	73%	0.73	S	S	*	*			cis	-169.8	161.6	-25.4	108.3	0	0	0	0	112.7
209	N	34.2	Very low	34.3	Very low	118 Å²	118	136.9 Å²	136.9	63%	0.631	72%	0.722	S	S	*	*			trans	83	108.8	157.4	-95.2	-24.9	0	0	0	125.2
210	R	32.8	Very low	34.7	Very low	219 Å²	219	139 Å²	139	83%	0.826	72%	0.724	S	S	*	*				28.7	131.8	124.2	-76.7	-173	-84.2	-157.7	-10.5	123.5
211	R	34.9	Very low	35	Very low	237 Å²	237	144.6 Å²	144.6	89%	0.894	73%	0.73	S	S	*	*				179.8	108.9	110.4	-100.6	174.2	175.9	171	-0.8	117.4
212	T	33.4	Very low	35.2	Very low	118 Å²	118	139.5 Å²	139.5	72%	0.724	73%	0.725	S	S	*	*			trans	24.7	149.1	131.2	60.5	0	0	0	0	126
213	M	32.4	Very low	35.5	Very low	175 Å²	175	136.2 Å²	136.2	86%	0.862	72%	0.718	S	S	*	*			trans	83	149.1	157.1	-65.1	-50.8	-177.7	0	0	119.2
214	S	34.7	Very low	35.6	Very low	75 Å²	75	139.9 Å²	139.9	52%	0.524	73%	0.725	S	S	.	*			cis	-173.7	173.3	-16.8	61.5	0	0	0	0	113.5
215	Q	37.6	Very low	35.7	Very low	170 Å²	170	142.5 Å²	142.5	79%	0.794	73%	0.73	S	S	*	*			trans	74.3	157.8	154	-71.4	173.6	81	0	0	120.3
216	S	35.4	Very low	35.7	Very low	75 Å²	75	139.9 Å²	139.9	52%	0.524	72%	0.723	S	S	.	*			cis	-175.7	171.4	-25.7	63.2	0	0	0	0	113.4
217	K	38	Very low	35.6	Very low	193 Å²	193	141 Å²	141	84%	0.839	73%	0.731	S	S	*	*			trans	76.3	152.1	159.4	-64.3	160.7	-171.7	173.6	0	117.9
218	A	36.8	Very low	35.3	Very low	91 Å²	91	140.2 Å²	140.2	75%	0.752	73%	0.731	S	S	*	*			cis	-168.4	-165.9	-20.3	0	0	0	0	0	107.8
219	S	38.5	Very low	35.1	Very low	83 Å²	83	140.8 Å²	140.8	58%	0.58	73%	0.734	S	S	*	*			cis	-168.6	168.9	5.1	-154.1	0	0	0	0	112.7
220	H	39.7	Very low	34.7	Very low	166 Å²	166	139.9 Å²	139.9	77%	0.769	74%	0.736	S	S	*	*			trans	68.5	146.7	153.3	-60.6	-39.2	0	0	0	122.7
221	R	36.7	Very low	34.2	Very low	218 Å²	218	135.5 Å²	135.5	82%	0.823	74%	0.738	S	S	*	*			cis	-171.7	145	-19.2	-176.3	172.7	-173.3	-143.8	1.2	113.6
222	S	35.9	Very low	33.9	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	73%	0.728	S	S	*	*			trans	72.8	147.9	158.3	-95.5	0	0	0	0	120.8
223	S	36.2	Very low	33.6	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	74%	0.735	S	S	*	*			cis	-170.3	158.9	-15.6	34.5	0	0	0	0	114.4
224	H	36.1	Very low	33.5	Very low	165 Å²	165	130.6 Å²	130.6	76%	0.764	73%	0.732	S	S	*	*			trans	76.6	139.9	171.5	-57.8	-79.5	0	0	0	118.9
225	I	35.6	Very low	33.2	Very low	148 Å²	148	133.8 Å²	133.8	76%	0.759	74%	0.742	S	S	*	*			cis	131.7	126.6	-15.7	-76.3	167.3	0	0	0	112.4
226	P	35.1	Very low	32.6	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	74%	0.744	S	S	*	*			cis	-139.2	-155.2	-43.6	44	-23.5	0	0	0	112
227	S	32.2	Very low	32.3	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	76%	0.757	S	S	*	*			trans	69.4	138.3	165.8	63.9	0	0	0	0	118.6
228	E	31.3	Very low	31.8	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	76%	0.757	S	S	*	*			cis	-151.5	156.7	-11.6	-118.9	-175.5	-168.9	0	0	112.1
229	V	29.6	Very low	31.5	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	76%	0.763	S	S	*	*			trans	23	132.3	154.3	178.7	0	0	0	0	120
230	C	25.5	Very low	30.9	Very low	99 Å²	99	143 Å²	143	67%	0.669	77%	0.771	S	S	*	*			cis	-165.2	130.6	-20.5	-178.2	0	0	0	0	107.8
231	S	23.2	Very low	30.3	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	77%	0.77	S	S	*	*			trans	-137.8	120.9	172.4	-72.2	0	0	0	0	109.1
232	T	28.8	Very low	30	Very low	110 Å²	110	137.9 Å²	137.9	68%	0.675	77%	0.769	S	S	*	*			trans	-126.8	88.6	-173.2	-49.9	0	0	0	0	111.1	V234	T232-V234 HydrophobicContact CG2-CG2 3.97Å
233	Q	26.4	Very low	29.5	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	77%	0.765	S	S	*	*			trans	-61.3	133	158.4	-64.1	174.6	-10.6	0	0	108.7
234	V	29.8	Very low	29.4	Very low	132 Å²	132	141 Å²	141	80%	0.8	78%	0.777	S	S	*	*			trans	-120	123.3	168.8	-176.9	0	0	0	0	108.8	T232	T232-V234 HydrophobicContact CG2-CG2 3.97Å
235	I	28.1	Very low	29.1	Very low	143 Å²	143	140.2 Å²	140.2	73%	0.733	78%	0.779	S	S	*	*			trans	-87.3	140.6	-168.3	-68.2	164.3	0	0	0	110.9	R237	I235-R237 PolarHBondContact O-N 3.26Å
236	N	25.9	Very low	29	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	78%	0.783	S	S	*	*			trans	-54.4	118.6	170.8	-81.2	-35.6	0	0	0	112.4
237	R	28.5	Very low	28.8	Very low	211 Å²	211	143.2 Å²	143.2	80%	0.796	79%	0.786	S	S	*	*			trans	-142.9	129.6	150.6	-76	-163.4	172	172.6	-1.2	111.2	I235	I235-R237 PolarHBondContact O-N 3.26Å
238	P	28.8	Very low	29	Very low	129 Å²	129	146.1 Å²	146.1	84%	0.838	79%	0.793	S	S	*	*			trans	-76.5	147.7	167.3	33.4	-33.3	0	0	0	110.1
239	F	30	Very low	29	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.873	79%	0.791	S	S	*	*			trans	-116.7	126	169.5	-84.8	-84.2	0	0	0	110.5
240	S	26	Very low	29	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	79%	0.788	S	S	*	*			trans	-108.7	155.4	167.4	58.1	0	0	0	0	110.1
241	L	25.7	Very low	29.5	Very low	142 Å²	142	143.3 Å²	143.3	74%	0.743	80%	0.799	S	S	*	*			trans	59.6	104.9	154.8	-109.1	163.1	0	0	0	117.6
242	V	30.6	Very low	29.7	Very low	135 Å²	135	141.2 Å²	141.2	82%	0.818	80%	0.798	S	S	*	*			trans	-127	116.3	143	178	0	0	0	0	106.9
243	S	27	Very low	29.6	Very low	84 Å²	84	139.8 Å²	139.8	59%	0.587	81%	0.805	S	S	*	*			trans	-76	140.7	167.5	-58.4	0	0	0	0	109.5
244	L	33.9	Very low	29.8	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	80%	0.802	S	S	*	*			trans	-132	99	159.8	-85.5	171.3	0	0	0	107.8
245	D	28.3	Very low	30	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	81%	0.806	S	S	*	*			trans	-65.5	131.7	158.8	-58.8	-80.2	0	0	0	108.7
246	D	35.1	Very low	30.2	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	80%	0.804	S	S	*	*			trans	-151.1	159.6	131	-139.7	-26.5	0	0	0	110.7
247	Q	30.2	Very low	30.6	Very low	160 Å²	160	143.8 Å²	143.8	75%	0.748	80%	0.798	S	S	*	*			trans	-93.6	132.8	-164.7	-55.6	-179.9	14.4	0	0	112.9
248	D	36.4	Very low	30.7	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	79%	0.794	S	S	*	*			trans	-140.9	140	145.5	-157.6	-5.3	0	0	0	110.2
249	Q	31.7	Very low	30.8	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	80%	0.797	S	S	*	*			trans	-120.6	98.9	-168.3	-64.4	-172.5	25.8	0	0	111.4
250	G	29.7	Very low	30.9	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	78%	0.781	S	S	*	*			trans	-155.6	114.8	178.9	0	0	0	0	0	115.3
251	A	34.8	Very low	31.1	Very low	109 Å²	109	136.9 Å²	136.9	90%	0.901	77%	0.768	S	S	*	*			trans	58.5	60.8	155	0	0	0	0	0	119.8	G253	A251-G253 PolarHBondContact O-N 2.95Å
252	G	27.1	Very low	31.6	Very low	83 Å²	83	140 Å²	140	86%	0.856	78%	0.775	S	S	*	*				76.3	17.2	118.9	0	0	0	0	0	121.3	R254	G252-R254 PolarHBondContact O-N 2.97Å
253	G	28.3	Very low	32	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	77%	0.772	S	S	*	*			trans	-86.9	100.8	172.7	0	0	0	0	0	113.7	A251	A251-G253 PolarHBondContact O-N 2.95Å
254	R	29.7	Very low	32.4	Very low	213 Å²	213	145.9 Å²	145.9	80%	0.804	78%	0.778	S	S	*	*			trans	-118.3	61.9	-174.3	-155.6	-174	-158.2	-169.8	7	115.1	G252 Q256	G252-R254 PolarHBondContact O-N 2.97Å; R254-Q256 PolarHBondContact O-N 3.42Å
255	F	33.9	Very low	32.3	Very low	202 Å²	202	144.5 Å²	144.5	89%	0.886	77%	0.77	S	S	*	*			trans	-83.4	104.6	167.2	-79.8	-80.3	0	0	0	111.1	I257	F255-I257 PolarHBondContact O-N 3.14Å
256	Q	32.2	Very low	32.4	Very low	145 Å²	145	143.1 Å²	143.1	68%	0.678	77%	0.772	S	S	*	*			trans	-77.4	107	167.9	-72	-165.7	4.9	0	0	110	R254 K258	R254-Q256 PolarHBondContact O-N 3.42Å; Q256-K258 PolarHBondContact O-N 2.88Å; Q256-K258 VanDerWaalsContact O-N 3.09Å
257	I	34.7	Very low	32.2	Very low	142 Å²	142	138.5 Å²	138.5	73%	0.728	76%	0.761	S	S	*	*			trans	-79.3	92.2	174.8	-60.4	179.2	0	0	0	108.8	F255 L260	F255-I257 PolarHBondContact O-N 3.14Å; I257-L260 HydrophobicContact CG2-CD1 4.01Å
258	K	30.2	Very low	32.3	Very low	166 Å²	166	134.5 Å²	134.5	72%	0.722	75%	0.749	S	S	*	*			trans	-124.2	140.4	161.5	-73.4	-174.6	175.3	-178.7	0	108.8	Q256	Q256-K258 PolarHBondContact O-N 2.88Å; Q256-K258 VanDerWaalsContact O-N 3.09Å
259	N	31.4	Very low	32.5	Very low	165 Å²	165	130.8 Å²	130.8	88%	0.882	74%	0.736	S	S	*	*			trans	60.2	48.6	170	-55.6	-0.7	0	0	0	116.8
260	L	31.6	Very low	32.7	Very low	106 Å²	106	130 Å²	130	56%	0.555	73%	0.733	S	S	*	*			trans	-84	127.5	159.2	-86.9	136.7	0	0	0	110.2	I257 Y264	I257-L260 HydrophobicContact CG2-CD1 4.01Å; L260-Y264 HydrophobicContact CD2-CD2 3.84Å; L260-Y264 HydrophobicContact CD2-CE1 4.21Å; L260-Y264 HydrophobicContact CD2-CE2 3.35Å; L260-Y264 HydrophobicContact CD2-CG 4.46Å
261	S	31.7	Very low	33	Very low	65 Å²	65	129.9 Å²	129.9	46%	0.455	71%	0.714	S	S	.	*			trans	-68.8	166.1	179.9	59.4	0	0	0	0	112.2	E263	S261-E263 PolarHBondContact O-N 2.9Å; S261-E263 PolarHBondContact OG-OE2 3.39Å
262	K	35.2	Very low	33.2	Very low	206 Å²	206	132 Å²	132	90%	0.896	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	20.3	-168.7	-145.7	172.1	-171.9	169.5	0	115.1
263	E	39.6	Very low	33.9	Very low	162 Å²	162	131.3 Å²	131.3	76%	0.757	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-11.6	-171	-69.8	161.1	-174	0	0	113	S261 I265	S261-E263 PolarHBondContact O-N 2.9Å; S261-E263 PolarHBondContact OG-OE2 3.39Å; E263-I265 PolarHBondContact O-N 2.77Å
264	Y	33.8	Very low	34.5	Very low	182 Å²	182	132.1 Å²	132.1	71%	0.714	67%	0.669	S	S	*	*			trans	-82.8	72.4	-178.7	-74.8	-100	0	0	0	112.6	L260	L260-Y264 HydrophobicContact CD2-CD2 3.84Å; L260-Y264 HydrophobicContact CD2-CE1 4.21Å; L260-Y264 HydrophobicContact CD2-CE2 3.35Å; L260-Y264 HydrophobicContact CD2-CG 4.46Å
265	I	31.8	Very low	35.2	Very low	136 Å²	136	128.7 Å²	128.7	70%	0.697	66%	0.661	S	S	*	*			trans	-129.8	120.8	172.2	-55.7	-176.9	0	0	0	111.3	E263	E263-I265 PolarHBondContact O-N 2.77Å
266	S	30.6	Very low	36.3	Very low	120 Å²	120	121.9 Å²	121.9	84%	0.839	63%	0.632	S	S	*	*			trans	51.4	108.1	164.3	63.3	0	0	0	0	119.8
267	G	32.1	Very low	38	Very low	60 Å²	60	119.3 Å²	119.3	62%	0.619	62%	0.619	S	S	*	*			trans	-177.3	145.3	159.1	0	0	0	0	0	112.4
268	P	32.4	Very low	40	Very low	76 Å²	76	115.4 Å²	115.4	49%	0.494	60%	0.596	S	S	.	*			trans	-60.3	154.9	166.4	-20.4	33.2	0	0	0	111.1	E270 N271	P268-E270 PolarHBondContact O-N 2.82Å; P268-E270 VanDerWaalsContact O-N 3.16Å; P268-N271 WeakPolarHBondContact O-CB 3.03Å; P268-N271 PolarHBondContact O-N 3.43Å
269	S	39	Very low	42.5	Very low	87 Å²	87	111.4 Å²	111.4	61%	0.608	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	176	42.9	0	0	0	0	113.5	N271 K272	S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 3.11Å; S269-K272 WeakPolarHBondContact O-CB 3.49Å; S269-K272 WeakPolarHBondContact O-CG 3.26Å; S269-K272 PolarHBondContact O-N 2.88Å
270	E	37.9	Very low	45	Very low	152 Å²	152	104.3 Å²	104.3	71%	0.71	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.4	176.7	-66.1	159	161.2	0	0	112.4	P268 K272	P268-E270 PolarHBondContact O-N 2.82Å; P268-E270 VanDerWaalsContact O-N 3.16Å; E270-K272 PolarHBondContact O-N 3.04Å
271	N	34.8	Very low	47.6	Very low	70 Å²	70	102.5 Å²	102.5	37%	0.374	54%	0.538	S	S	.	.	H	α-helix	trans	-74.3	-8.4	175.8	-81.3	19	0	0	0	113.9	P268 S269 L273 T274 H275	P268-N271 WeakPolarHBondContact O-CB 3.03Å; P268-N271 PolarHBondContact O-N 3.43Å; S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 3.11Å; N271-L273 PolarHBondContact O-N 3.42Å; N271-T274 WeakPolarHBondContact CA-OG1 3.44Å; N271-H275 PolarHBondContact O-CD2 3.34Å
272	K	39.6	Very low	50.4	Low	154 Å²	154	99.7 Å²	99.7	67%	0.67	52%	0.518	S	S	*	.	H	α-helix	trans	-70.4	-16.8	-177.2	-66.9	-177.7	175.8	-173.3	0	114.2	S269 E270	S269-K272 WeakPolarHBondContact O-CB 3.49Å; S269-K272 WeakPolarHBondContact O-CG 3.26Å; S269-K272 PolarHBondContact O-N 2.88Å; E270-K272 PolarHBondContact O-N 3.04Å
273	L	41.4	Very low	53	Low	69 Å²	69	93 Å²	93	36%	0.361	49%	0.492	S	S	.	.	H	α-helix	trans	-112.7	-33.7	-179.4	-96.8	163.9	0	0	0	113.3	N271 H275 F276 L390	N271-L273 PolarHBondContact O-N 3.42Å; L273-H275 PolarHBondContact O-N 2.9Å; L273-F276 PolarHBondContact O-N 3.31Å; L273-L390 HydrophobicContact CD1-CD2 4.39Å; L273-L390 HydrophobicContact CD1-CG 4.3Å; L273-L390 HydrophobicContact CD2-CD2 3.5Å; L273-L390 VanDerWaalsContact CD2-CD2 3.5Å; L273-L390 HydrophobicContact CD2-CG 4.02Å; L273-L390 HydrophobicContact CG-CD2 3.83Å; L273-L390 HydrophobicContact CG-CG 4.28Å
274	T	40	Very low	55.5	Low	97 Å²	97	86.6 Å²	86.6	60%	0.595	46%	0.46	S	S	*	.	H	α-helix	trans	-69.2	-19.6	-178.8	54	0	0	0	0	113.8	N271	N271-T274 WeakPolarHBondContact CA-OG1 3.44Å
275	H	45.7	Very low	58.3	Low	140 Å²	140	78.1 Å²	78.1	65%	0.648	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	6.6	177.9	-63.7	-68.4	0	0	0	114	N271 L273 E277	N271-H275 PolarHBondContact O-CD2 3.34Å; L273-H275 PolarHBondContact O-N 2.9Å; H275-E277 PolarHBondContact O-N 3.07Å
276	F	56.2	Low	61	Low	60 Å²	60	74 Å²	74	26%	0.263	41%	0.406	S	S	.	.			trans	-80.7	77.8	172.2	-161.3	-95.7	0	0	0	110.2	L273 L305 G307 A383 Y386	L273-F276 PolarHBondContact O-N 3.31Å; F276-L305 HydrophobicContact CD1-CD2 4.43Å; F276-L305 HydrophobicContact CD1-CG 4.46Å; F276-L305 HydrophobicContact CE1-CD2 3.83Å; F276-L305 HydrophobicContact CE1-CG 4.33Å; F276-G307 PolarHBondContact O-N 3.16Å; F276-A383 HydrophobicContact CE1-CB 4.23Å; F276-A383 HydrophobicContact CZ-CB 4.06Å; F276-Y386 HydrophobicContact CD2-CD1 4.2Å; F276-Y386 HydrophobicContact CD2-CE1 4.07Å; F276-Y386 HydrophobicContact CE1-CD1 4.21Å; F276-Y386 AromaticContact CE2-CD1 3.71Å; F276-Y386 HydrophobicContact CE2-CD1 3.71Å; F276-Y386 AromaticContact CE2-CE1 3.94Å; F276-Y386 HydrophobicContact CE2-CE1 3.94Å; F276-Y386 AromaticContact CZ-CD1 3.71Å; F276-Y386 HydrophobicContact CZ-CD1 3.71Å; F276-Y386 HydrophobicContact CZ-CE1 4.39Å
277	E	67.9	Low	63.8	Low	90 Å²	90	69 Å²	69	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.4	178.2	-169.9	177.4	-153.5	0	0	110.1	H275 R279 H304 L305	H275-E277 PolarHBondContact O-N 3.07Å; E277-R279 HydrophobicContact CG-CG 4.5Å; E277-R279 IonicContact OE1-CZ 3.86Å; E277-R279 IonicContact OE1-NE 2.68Å; E277-R279 PolarHBondContact OE1-NE 3.47Å; E277-R279 IonicContact OE1-NH2 3.23Å; E277-R279 PolarHBondContact OE1-NH2 3.23Å; E277-R279 IonicContact OE2-NH2 3.86Å; E277-H304 WeakPolarHBondContact CG-NE2 3.17Å; E277-H304 IonicContact OE1-CE1 3.76Å; E277-H304 IonicContact OE1-NE2 3.15Å; E277-H304 PolarHBondContact OE1-NE2 3.44Å; E277-L305 CarbonylContact C-O 3.6Å; E277-L305 WeakPolarHBondContact CA-O 3.42Å
278	R	77.3	Confident	66.6	Low	60 Å²	60	68.1 Å²	68.1	23%	0.226	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125	173.1	-172.4	-176.1	-178.5	117	14.4	110.1	H304 L305 D376 S379 W380	R278-H304 CarbonylContact O-C 3.55Å; R278-H304 WeakPolarHBondContact O-CA 3.39Å; R278-L305 HydrophobicContact CB-CB 4.32Å; R278-L305 PolarHBondContact N-O 2.86Å; R278-L305 PolarHBondContact O-N 3.32Å; R278-D376 IonicContact CZ-OD1 2.67Å; R278-D376 IonicContact NH2-OD1 3.72Å; R278-D376 PolarHBondContact NH2-OD1 3.35Å; R278-S379 VanDerWaalsContact CZ-OG 3.25Å; R278-S379 PolarHBondContact NH1-O 3.03Å; R278-S379 PolarHBondContact NH1-OG 3.36Å; R278-S379 VanDerWaalsContact NH1-OG 3.08Å; R278-S379 PolarHBondContact NH2-OG 3.07Å; R278-W380 HydrophobicContact CB-CH2 4.22Å; R278-W380 HydrophobicContact CB-CZ3 4.43Å; R278-W380 HydrophobicContact CG-CH2 3.84Å; R278-W380 HydrophobicContact CG-CZ2 3.83Å; R278-W380 HydrophobicContact CG-CZ3 4.23Å; R278-W380 VanDerWaalsContact NE-CE2 3.3Å; R278-W380 WeakPolarHBondContact O-CH2 3.39Å
279	R	82.9	Confident	69.3	Low	83 Å²	83	68.6 Å²	68.6	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.6	176.6	-63	177.1	-176	-170	8.8	109.7	E277 L303 H304 I323 Q325	E277-R279 HydrophobicContact CG-CG 4.5Å; E277-R279 IonicContact OE1-CZ 3.86Å; E277-R279 IonicContact OE1-NE 2.68Å; E277-R279 PolarHBondContact OE1-NE 3.47Å; E277-R279 IonicContact OE1-NH2 3.23Å; E277-R279 PolarHBondContact OE1-NH2 3.23Å; E277-R279 IonicContact OE2-NH2 3.86Å; R279-L303 CarbonylContact C-O 3.6Å; R279-L303 WeakPolarHBondContact CA-O 3.48Å; R279-H304 HydrophobicContact CG-CB 4.24Å; R279-H304 WeakPolarHBondContact CG-CD2 2.9Å; R279-I323 PolarHBondContact NH1-O 2.91Å; R279-Q325 PolarHBondContact NH1-O 2.87Å
280	G	82.4	Confident	71.5	Confident	16 Å²	16	67.8 Å²	67.8	17%	0.165	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	149.7	176.6	0	0	0	0	0	113.6	V302 L303	G280-V302 WeakPolarHBondContact O-CA 3.26Å; G280-L303 PolarHBondContact N-O 3.29Å; G280-L303 PolarHBondContact O-N 3.32Å
281	S	86.4	Confident	73.7	Confident	67 Å²	67	65 Å²	65	47%	0.469	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137	179.1	-58.4	0	0	0	0	111.4
282	V	90.5	Very high	76.2	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.8	-176.8	-64.3	0	0	0	0	111.1	G301 L303 L312 V370 Q371 I372	V282-G301 PolarHBondContact N-O 3.48Å; V282-G301 PolarHBondContact O-N 3.01Å; V282-G301 VanDerWaalsContact O-O 3.1Å; V282-L303 HydrophobicContact CB-CB 4.49Å; V282-L303 HydrophobicContact CG1-CB 3.68Å; V282-L303 HydrophobicContact CG1-CD2 4.35Å; V282-L303 HydrophobicContact CG2-CB 3.95Å; V282-L312 HydrophobicContact CG2-CD1 4.17Å; V282-V370 HydrophobicContact CB-CG1 3.65Å; V282-V370 HydrophobicContact CG1-CG1 3.82Å; V282-V370 HydrophobicContact CG2-CG1 3.79Å; V282-Q371 WeakPolarHBondContact CA-O 3.46Å; V282-Q371 WeakPolarHBondContact CB-O 3.42Å; V282-I372 HydrophobicContact CG1-CG1 4.05Å
283	I	90.9	Very high	78.5	Confident	67 Å²	67	71.5 Å²	71.5	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.5	168.6	-42.9	178.9	0	0	0	108.3	W298 Q371	I283-W298 HydrophobicContact CB-CE3 4.45Å; I283-W298 HydrophobicContact CG2-CB 3.96Å; I283-W298 HydrophobicContact CG2-CE3 4.04Å; I283-W298 WeakPolarHBondContact O-CZ3 3.46Å; I283-Q371 HydrophobicContact CB-CB 4.28Å; I283-Q371 PolarHBondContact N-O 2.85Å; I283-Q371 WeakPolarHBondContact O-CB 3.45Å; I283-Q371 PolarHBondContact O-N 3.46Å
284	R	91	Very high	80.7	Confident	27 Å²	27	70.4 Å²	70.4	10%	0.102	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.6	-169.3	48.3	170.1	-68.9	-159.8	-6.3	112	W298 I299 L312 Y313 D331 L369 V370	R284-W298 CarbonylContact O-C 3.52Å; R284-W298 WeakPolarHBondContact O-CA 3.44Å; R284-I299 WeakPolarHBondContact CG-O 3.23Å; R284-I299 PolarHBondContact N-O 2.89Å; R284-I299 PolarHBondContact O-N 3.38Å; R284-L312 HydrophobicContact CB-CD1 4.46Å; R284-L312 HydrophobicContact CB-CD2 4.35Å; R284-Y313 PolarHBondContact NH1-O 2.8Å; R284-D331 IonicContact CZ-OD2 3.74Å; R284-D331 IonicContact NH1-OD2 2.89Å; R284-D331 PolarHBondContact NH1-OD2 3.5Å; R284-D331 IonicContact NH2-OD2 2.7Å; R284-D331 PolarHBondContact NH2-OD2 3Å; R284-L369 WeakPolarHBondContact CA-O 3.23Å; R284-V370 HydrophobicContact CB-CG2 4.44Å
285	T	92.6	Very high	82.9	Confident	4 Å²	4	71 Å²	71	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156	163.6	-175.7	0	0	0	0	110	K296 K297 W298 H368 L369	T285-K296 WeakPolarHBondContact OG1-CA 3.3Å; T285-K297 WeakPolarHBondContact CB-O 3.38Å; T285-K297 PolarHBondContact OG1-N 3.39Å; T285-K297 PolarHBondContact OG1-O 3Å; T285-W298 HydrophobicContact CG2-CD2 3.73Å; T285-W298 HydrophobicContact CG2-CE3 3.85Å; T285-W298 HydrophobicContact CG2-CG 4.43Å; T285-W298 HydrophobicContact CG2-CH2 3.81Å; T285-W298 HydrophobicContact CG2-CZ2 3.67Å; T285-W298 HydrophobicContact CG2-CZ3 3.89Å; T285-H368 WeakPolarHBondContact O-CA 3.43Å; T285-L369 HydrophobicContact CG2-CB 3.81Å; T285-L369 HydrophobicContact CG2-CD1 4.19Å; T285-L369 HydrophobicContact CG2-CG 4.42Å; T285-L369 PolarHBondContact N-O 2.69Å; T285-L369 PolarHBondContact O-N 3.28Å
286	M	89.7	Confident	84.8	Confident	50 Å²	50	68.2 Å²	68.2	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	151.9	162.1	-157.5	144.5	57.5	0	0	109.2	E289 H368	M286-E289 HydrophobicContact CE-CB 3.8Å; M286-E289 HydrophobicContact CE-CG 3.88Å; M286-E289 WeakPolarHBondContact CE-OE2 3.45Å; M286-E289 HydrophobicContact CG-CB 4.25Å; M286-E289 HydrophobicContact SD-CB 3.82Å; M286-E289 HydrophobicContact SD-CG 4.05Å; M286-H368 VanDerWaalsContact SD-CE1 3.59Å
287	L	90	Very high	86.3	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-42.7	176.2	179.7	69.2	0	0	0	110.8	R293 V294 K296 Q348 V367 L369	L287-R293 WeakPolarHBondContact O-CA 3.44Å; L287-V294 PolarHBondContact O-N 3.26Å; L287-K296 HydrophobicContact CD1-CD 4.38Å; L287-K296 HydrophobicContact CD1-CG 4.36Å; L287-Q348 HydrophobicContact CD2-CB 4.49Å; L287-Q348 HydrophobicContact CD2-CG 4.34Å; L287-V367 HydrophobicContact CB-CB 4.32Å; L287-V367 HydrophobicContact CB-CG1 4.18Å; L287-V367 HydrophobicContact CD2-CG1 3.99Å; L287-V367 PolarHBondContact N-O 2.87Å; L287-L369 HydrophobicContact CB-CD1 4.33Å; L287-L369 HydrophobicContact CB-CG 4.28Å; L287-L369 HydrophobicContact CD1-CD1 4.44Å; L287-L369 HydrophobicContact CD2-CD1 4.32Å; L287-L369 HydrophobicContact CD2-CG 4.48Å
288	I	90.5	Very high	87.4	Confident	40 Å²	40	71.4 Å²	71.4	21%	0.205	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.5	174.2	-52.4	-177.8	0	0	0	107.5	K292 L365 N366 V367	I288-K292 CarbonylContact C-O 3.56Å; I288-K292 WeakPolarHBondContact CA-O 3.39Å; I288-L365 HydrophobicContact CD1-CD2 4.23Å; I288-L365 WeakPolarHBondContact CG2-O 3.47Å; I288-N366 WeakPolarHBondContact O-CA 3.41Å; I288-V367 HydrophobicContact CB-CB 4.03Å; I288-V367 HydrophobicContact CB-CG2 4.05Å; I288-V367 HydrophobicContact CD1-CB 4.47Å; I288-V367 HydrophobicContact CD1-CG2 3.94Å; I288-V367 HydrophobicContact CG1-CB 4.17Å; I288-V367 HydrophobicContact CG1-CG2 4.13Å; I288-V367 PolarHBondContact N-O 3.49Å; I288-V367 PolarHBondContact O-N 3.14Å
289	E	87.8	Confident	88	Confident	86 Å²	86	71.2 Å²	71.2	40%	0.402	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.9	173.9	-179	178.8	-159.5	0	0	107.9	M286 D291 K292 V294 N366	M286-E289 HydrophobicContact CE-CB 3.8Å; M286-E289 HydrophobicContact CE-CG 3.88Å; M286-E289 WeakPolarHBondContact CE-OE2 3.45Å; M286-E289 HydrophobicContact CG-CB 4.25Å; M286-E289 HydrophobicContact SD-CB 3.82Å; M286-E289 HydrophobicContact SD-CG 4.05Å; E289-D291 VanDerWaalsContact C-N 3.32Å; E289-D291 PolarHBondContact O-N 3.06Å; E289-K292 PolarHBondContact N-O 3.39Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.29Å; E289-V294 HydrophobicContact CB-CG2 3.49Å; E289-V294 VanDerWaalsContact CB-CG2 3.49Å; E289-N366 WeakPolarHBondContact CA-OD1 3.4Å
290	N	85.4	Confident	88.3	Confident	71 Å²	71	70.7 Å²	70.7	38%	0.38	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	52.7	-178.6	-66.8	-86	0	0	0	112.5	K292 K364 L365 N366	N290-K292 PolarHBondContact O-N 2.96Å; N290-K364 HydrophobicContact CB-CD 3.93Å; N290-K364 WeakPolarHBondContact OD1-CD 3.35Å; N290-L365 PolarHBondContact N-O 2.79Å; N290-N366 PolarHBondContact N-OD1 2.87Å
291	D	84.5	Confident	88.5	Confident	93 Å²	93	70 Å²	70	50%	0.497	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-4.2	-176.2	-46.2	-62.4	0	0	0	116.1	E289 K364 L365	E289-D291 VanDerWaalsContact C-N 3.32Å; E289-D291 PolarHBondContact O-N 3.06Å; D291-K364 WeakPolarHBondContact OD2-CA 3.48Å; D291-K364 WeakPolarHBondContact OD2-CB 3.47Å; D291-K364 VanDerWaalsContact OD2-CG 3.27Å; D291-K364 WeakPolarHBondContact OD2-CG 3.26Å; D291-L365 PolarHBondContact N-O 3.32Å; D291-L365 WeakPolarHBondContact OD1-CB 3.1Å; D291-L365 PolarHBondContact OD1-N 2.68Å
292	K	87.7	Confident	88.6	Confident	160 Å²	160	67.7 Å²	67.7	70%	0.696	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.9	179.2	-63	180	-177.3	-179.3	0	110.7	I288 E289 N290 V294	I288-K292 CarbonylContact C-O 3.56Å; I288-K292 WeakPolarHBondContact CA-O 3.39Å; E289-K292 PolarHBondContact N-O 3.39Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.29Å; N290-K292 PolarHBondContact O-N 2.96Å; K292-V294 PolarHBondContact O-N 3.07Å
293	R	87.1	Confident	88.5	Confident	200 Å²	200	67.4 Å²	67.4	76%	0.755	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	122.1	175	-165.7	-174.2	-164	-164.9	9.2	110	L287	L287-R293 WeakPolarHBondContact O-CA 3.44Å
294	V	88.8	Confident	88.3	Confident	46 Å²	46	64.8 Å²	64.8	28%	0.279	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-100.3	151.2	-177.8	-175.5	0	0	0	0	110.7	L287 E289 K292 K296	L287-V294 PolarHBondContact O-N 3.26Å; E289-V294 HydrophobicContact CB-CG2 3.49Å; E289-V294 VanDerWaalsContact CB-CG2 3.49Å; K292-V294 PolarHBondContact O-N 3.07Å; V294-K296 PolarHBondContact O-N 2.94Å
295	S	85	Confident	88	Confident	110 Å²	110	63.5 Å²	63.5	77%	0.769	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.3	128.2	172.7	-171.1	0	0	0	0	110.8	K297	S295-K297 PolarHBondContact O-N 3.17Å
296	K	86.7	Confident	87.3	Confident	82 Å²	82	65.4 Å²	65.4	36%	0.357	33%	0.325	S	S	.	.			trans	-71.9	101.6	-172.5	-57.7	177.7	-166.2	176.4	0	110.8	T285 L287 V294 Q348	T285-K296 WeakPolarHBondContact OG1-CA 3.3Å; L287-K296 HydrophobicContact CD1-CD 4.38Å; L287-K296 HydrophobicContact CD1-CG 4.36Å; V294-K296 PolarHBondContact O-N 2.94Å; K296-Q348 PolarHBondContact NZ-O 2.83Å
297	K	88.1	Confident	86.4	Confident	157 Å²	157	63.6 Å²	63.6	68%	0.683	32%	0.32	S	S	*	.			trans	-109.7	105.5	172.4	-169.2	171	-176.5	173.3	0	109.7	T285 S295 I299	T285-K297 WeakPolarHBondContact CB-O 3.38Å; T285-K297 PolarHBondContact OG1-N 3.39Å; T285-K297 PolarHBondContact OG1-O 3Å; S295-K297 PolarHBondContact O-N 3.17Å; K297-I299 HydrophobicContact CG-CD1 4.38Å; K297-I299 HydrophobicContact CG-CG1 4.17Å
298	W	90.3	Very high	85.7	Confident	59 Å²	59	64.7 Å²	64.7	22%	0.223	33%	0.328	C	S	.	.			trans	-74.6	127.4	175.1	-65.8	94.7	0	0	0	110.5	I283 R284 T285 R351 V354 L369 Q371	I283-W298 HydrophobicContact CB-CE3 4.45Å; I283-W298 HydrophobicContact CG2-CB 3.96Å; I283-W298 HydrophobicContact CG2-CE3 4.04Å; I283-W298 WeakPolarHBondContact O-CZ3 3.46Å; R284-W298 CarbonylContact O-C 3.52Å; R284-W298 WeakPolarHBondContact O-CA 3.44Å; T285-W298 HydrophobicContact CG2-CD2 3.73Å; T285-W298 HydrophobicContact CG2-CE3 3.85Å; T285-W298 HydrophobicContact CG2-CG 4.43Å; T285-W298 HydrophobicContact CG2-CH2 3.81Å; T285-W298 HydrophobicContact CG2-CZ2 3.67Å; T285-W298 HydrophobicContact CG2-CZ3 3.89Å; W298-R351 HydrophobicContact CZ2-CG 4.39Å; W298-V354 HydrophobicContact CH2-CG1 4.21Å; W298-V354 HydrophobicContact CH2-CG2 4.15Å; W298-L369 HydrophobicContact CH2-CB 3.94Å; W298-L369 HydrophobicContact CZ3-CB 4.42Å; W298-Q371 HydrophobicContact CZ3-CB 3.98Å
299	I	89.7	Confident	85.3	Confident	56 Å²	56	65.1 Å²	65.1	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.9	-175.8	-55.3	176.4	0	0	0	108	R284 K297 K314	R284-I299 WeakPolarHBondContact CG-O 3.23Å; R284-I299 PolarHBondContact N-O 2.89Å; R284-I299 PolarHBondContact O-N 3.38Å; K297-I299 HydrophobicContact CG-CD1 4.38Å; K297-I299 HydrophobicContact CG-CG1 4.17Å; I299-K314 HydrophobicContact CG2-CG 4.3Å
300	P	89.1	Confident	85.3	Confident	72 Å²	72	61.2 Å²	61.2	47%	0.468	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.6	171.1	28.3	-35.7	0	0	0	111.8	D315	P300-D315 HydrophobicContact CB-CB 4.11Å; P300-D315 HydrophobicContact CG-CB 4.3Å; P300-D315 PolarHBondContact O-N 3.14Å
301	G	86.4	Confident	85.4	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	176.4	178.4	0	0	0	0	0	112.2	V282 Y313	V282-G301 PolarHBondContact N-O 3.48Å; V282-G301 PolarHBondContact O-N 3.01Å; V282-G301 VanDerWaalsContact O-O 3.1Å; G301-Y313 VanDerWaalsContact CA-O 3.24Å; G301-Y313 WeakPolarHBondContact CA-O 3.36Å
302	V	87.7	Confident	85.6	Confident	18 Å²	18	54.7 Å²	54.7	11%	0.109	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.2	173.4	-178.2	0	0	0	0	108.1	G280 Y313 L327	G280-V302 WeakPolarHBondContact O-CA 3.26Å; V302-Y313 PolarHBondContact N-O 3.28Å; V302-Y313 PolarHBondContact O-N 3.45Å; V302-L327 HydrophobicContact CB-CD2 3.91Å; V302-L327 HydrophobicContact CG1-CD2 3.89Å; V302-L327 HydrophobicContact CG2-CD2 3.93Å
303	L	89.5	Confident	85.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.1	167.4	-170.1	67.3	0	0	0	107.7	R279 G280 V282 L310 L312 V370 I372 W380	R279-L303 CarbonylContact C-O 3.6Å; R279-L303 WeakPolarHBondContact CA-O 3.48Å; G280-L303 PolarHBondContact N-O 3.29Å; G280-L303 PolarHBondContact O-N 3.32Å; V282-L303 HydrophobicContact CB-CB 4.49Å; V282-L303 HydrophobicContact CG1-CB 3.68Å; V282-L303 HydrophobicContact CG1-CD2 4.35Å; V282-L303 HydrophobicContact CG2-CB 3.95Å; L303-L310 HydrophobicContact CD1-CD1 3.78Å; L303-L310 HydrophobicContact CD1-CD2 4.28Å; L303-L310 HydrophobicContact CD1-CG 3.99Å; L303-L310 HydrophobicContact CG-CD1 4.03Å; L303-L312 HydrophobicContact CD1-CD1 3.86Å; L303-V370 HydrophobicContact CD2-CG1 4.43Å; L303-I372 HydrophobicContact CD2-CD1 4.24Å; L303-W380 HydrophobicContact CB-CH2 3.96Å; L303-W380 HydrophobicContact CB-CZ2 4.15Å; L303-W380 HydrophobicContact CB-CZ3 4.44Å; L303-W380 HydrophobicContact CD2-CD2 3.88Å; L303-W380 HydrophobicContact CD2-CE3 3.56Å; L303-W380 HydrophobicContact CD2-CH2 3.87Å; L303-W380 HydrophobicContact CD2-CZ2 4.16Å; L303-W380 HydrophobicContact CD2-CZ3 3.56Å; L303-W380 HydrophobicContact CG-CE3 4.26Å; L303-W380 HydrophobicContact CG-CH2 3.74Å; L303-W380 HydrophobicContact CG-CZ2 4.29Å; L303-W380 HydrophobicContact CG-CZ3 3.72Å; L303-W380 WeakPolarHBondContact O-CH2 3.44Å
304	H	87.1	Confident	85.2	Confident	11 Å²	11	43.5 Å²	43.5	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	113	-175.9	173.3	-155.7	0	0	0	110	E277 R278 R279 F311 Y313	E277-H304 WeakPolarHBondContact CG-NE2 3.17Å; E277-H304 IonicContact OE1-CE1 3.76Å; E277-H304 IonicContact OE1-NE2 3.15Å; E277-H304 PolarHBondContact OE1-NE2 3.44Å; R278-H304 CarbonylContact O-C 3.55Å; R278-H304 WeakPolarHBondContact O-CA 3.39Å; R279-H304 HydrophobicContact CG-CB 4.24Å; R279-H304 WeakPolarHBondContact CG-CD2 2.9Å; H304-F311 HydrophobicContact CB-CB 4.2Å; H304-F311 PolarHBondContact N-O 3.49Å; H304-F311 AromaticContact ND1-CD2 3.9Å; H304-F311 PolarHBondContact O-N 3.33Å; H304-Y313 HydrophobicContact CB-CD2 4.26Å; H304-Y313 HydrophobicContact CB-CE2 3.86Å; H304-Y313 AromaticContact ND1-CE2 3.77Å
305	L	84.5	Confident	84.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123	174.3	168.4	55.9	0	0	0	108.5	F276 E277 R278 L310 I336 W380 A383 A387	F276-L305 HydrophobicContact CD1-CD2 4.43Å; F276-L305 HydrophobicContact CD1-CG 4.46Å; F276-L305 HydrophobicContact CE1-CD2 3.83Å; F276-L305 HydrophobicContact CE1-CG 4.33Å; E277-L305 CarbonylContact C-O 3.6Å; E277-L305 WeakPolarHBondContact CA-O 3.42Å; R278-L305 HydrophobicContact CB-CB 4.32Å; R278-L305 PolarHBondContact N-O 2.86Å; R278-L305 PolarHBondContact O-N 3.32Å; L305-L310 HydrophobicContact CB-CD1 3.95Å; L305-I336 HydrophobicContact CD1-CD1 3.2Å; L305-I336 HydrophobicContact CD1-CG1 4.49Å; L305-W380 HydrophobicContact CB-CH2 4.45Å; L305-W380 HydrophobicContact CB-CZ3 3.86Å; L305-A383 HydrophobicContact CD2-CB 3.9Å; L305-A387 HydrophobicContact CD1-CB 4.13Å; L305-A387 HydrophobicContact CD2-CB 4.36Å
306	S	77.4	Confident	83	Confident	44 Å²	44	44.9 Å²	44.9	31%	0.308	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	107.3	177	174.3	0	0	0	0	109.5	L309	S306-L309 PolarHBondContact N-O 2.9Å; S306-L309 PolarHBondContact O-N 2.98Å
307	G	70.7	Confident	81.5	Confident	13 Å²	13	48.2 Å²	48.2	13%	0.134	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-126.6	-173.4	0	0	0	0	0	111.6	F276 L309	F276-G307 PolarHBondContact O-N 3.16Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.19Å
308	P	75.8	Confident	79.6	Confident	38 Å²	38	47.6 Å²	47.6	25%	0.247	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.5	-178.4	33.1	-35	0	0	0	115.1	I336 L391	P308-I336 WeakPolarHBondContact O-CD1 3.31Å; P308-I336 WeakPolarHBondContact O-CG1 3.31Å; P308-I336 PolarHBondContact O-N 2.75Å; P308-I336 VanDerWaalsContact O-N 3.1Å; P308-L391 HydrophobicContact CB-CD1 3.98Å; P308-L391 HydrophobicContact CB-CD2 4.07Å
309	L	82.1	Confident	77.6	Confident	49 Å²	49	48.5 Å²	48.5	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.2	-171.9	-62.9	178.6	0	0	0	111.8	S306 G307 F311 Q333	S306-L309 PolarHBondContact N-O 2.9Å; S306-L309 PolarHBondContact O-N 2.98Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.19Å; L309-F311 HydrophobicContact CB-CD2 4.27Å; L309-F311 HydrophobicContact CB-CE1 4.37Å; L309-F311 HydrophobicContact CB-CE2 3.6Å; L309-F311 HydrophobicContact CB-CZ 3.67Å; L309-F311 HydrophobicContact CD1-CE1 4.21Å; L309-F311 HydrophobicContact CD1-CE2 4.23Å; L309-F311 HydrophobicContact CD1-CZ 3.54Å; L309-F311 HydrophobicContact CG-CZ 4.25Å; L309-Q333 HydrophobicContact CD2-CG 4.38Å
310	L	87.1	Confident	75.5	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.3	170.2	-171.8	67.8	0	0	0	108.6	L303 L305 F334 I336 I357 W380	L303-L310 HydrophobicContact CD1-CD1 3.78Å; L303-L310 HydrophobicContact CD1-CD2 4.28Å; L303-L310 HydrophobicContact CD1-CG 3.99Å; L303-L310 HydrophobicContact CG-CD1 4.03Å; L305-L310 HydrophobicContact CB-CD1 3.95Å; L310-F334 HydrophobicContact CB-CB 4.47Å; L310-F334 HydrophobicContact CB-CD2 4.46Å; L310-F334 HydrophobicContact CD2-CD2 4.46Å; L310-F334 HydrophobicContact CG-CD2 4.49Å; L310-F334 PolarHBondContact N-O 3.31Å; L310-F334 WeakPolarHBondContact O-CD2 3.35Å; L310-F334 PolarHBondContact O-N 3.22Å; L310-I336 HydrophobicContact CB-CD1 4.44Å; L310-I336 HydrophobicContact CB-CG1 4.01Å; L310-I357 HydrophobicContact CD2-CD1 4.13Å; L310-W380 HydrophobicContact CD1-CZ3 4.39Å
311	F	87.4	Confident	73.3	Confident	28 Å²	28	51.8 Å²	51.8	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.6	178.2	-56.5	-82	0	0	0	110.9	H304 L309 Y313 P330 Q333	H304-F311 HydrophobicContact CB-CB 4.2Å; H304-F311 PolarHBondContact N-O 3.49Å; H304-F311 AromaticContact ND1-CD2 3.9Å; H304-F311 PolarHBondContact O-N 3.33Å; L309-F311 HydrophobicContact CB-CD2 4.27Å; L309-F311 HydrophobicContact CB-CE1 4.37Å; L309-F311 HydrophobicContact CB-CE2 3.6Å; L309-F311 HydrophobicContact CB-CZ 3.67Å; L309-F311 HydrophobicContact CD1-CE1 4.21Å; L309-F311 HydrophobicContact CD1-CE2 4.23Å; L309-F311 HydrophobicContact CD1-CZ 3.54Å; L309-F311 HydrophobicContact CG-CZ 4.25Å; F311-Y313 HydrophobicContact CB-CD2 4.26Å; F311-Y313 HydrophobicContact CB-CE2 3.58Å; F311-Y313 HydrophobicContact CG-CE2 4.4Å; F311-P330 HydrophobicContact CB-CB 4.18Å; F311-P330 HydrophobicContact CD1-CB 3.81Å; F311-P330 HydrophobicContact CD1-CG 3.77Å; F311-P330 HydrophobicContact CE1-CG 4.22Å; F311-P330 HydrophobicContact CG-CB 4.43Å; F311-Q333 HydrophobicContact CD1-CB 3.95Å; F311-Q333 HydrophobicContact CD1-CG 3.84Å; F311-Q333 HydrophobicContact CE1-CB 4.22Å; F311-Q333 HydrophobicContact CE1-CG 3.69Å
312	L	88.7	Confident	71.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	105.5	176.4	-168.9	68.2	0	0	0	108.6	V282 R284 L303 D331 V332 F334 V370	V282-L312 HydrophobicContact CG2-CD1 4.17Å; R284-L312 HydrophobicContact CB-CD1 4.46Å; R284-L312 HydrophobicContact CB-CD2 4.35Å; L303-L312 HydrophobicContact CD1-CD1 3.86Å; L312-D331 WeakPolarHBondContact O-CB 3.47Å; L312-D331 PolarHBondContact O-N 3Å; L312-D331 VanDerWaalsContact O-N 3.11Å; L312-V332 HydrophobicContact CB-CB 4.25Å; L312-V332 HydrophobicContact CD2-CG2 4.49Å; L312-V332 PolarHBondContact N-O 3.44Å; L312-V332 PolarHBondContact O-N 2.94Å; L312-F334 HydrophobicContact CB-CE2 4.19Å; L312-F334 HydrophobicContact CD2-CE2 4.44Å; L312-V370 HydrophobicContact CD1-CG2 4.23Å; L312-V370 HydrophobicContact CD2-CG2 4.42Å
313	Y	84.8	Confident	69.5	Low	23 Å²	23	63.9 Å²	63.9	9%	0.09	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-86.7	157.4	177.4	-64.2	-95.9	0	0	0	110.3	R284 G301 V302 H304 F311 L327 P330	R284-Y313 PolarHBondContact NH1-O 2.8Å; G301-Y313 VanDerWaalsContact CA-O 3.24Å; G301-Y313 WeakPolarHBondContact CA-O 3.36Å; V302-Y313 PolarHBondContact N-O 3.28Å; V302-Y313 PolarHBondContact O-N 3.45Å; H304-Y313 HydrophobicContact CB-CD2 4.26Å; H304-Y313 HydrophobicContact CB-CE2 3.86Å; H304-Y313 AromaticContact ND1-CE2 3.77Å; F311-Y313 HydrophobicContact CB-CD2 4.26Å; F311-Y313 HydrophobicContact CB-CE2 3.58Å; F311-Y313 HydrophobicContact CG-CE2 4.4Å; Y313-L327 HydrophobicContact CD1-CB 3.69Å; Y313-L327 WeakPolarHBondContact CD1-O 3.24Å; Y313-L327 HydrophobicContact CD2-CD2 4.36Å; Y313-L327 HydrophobicContact CE1-CB 3.57Å; Y313-L327 HydrophobicContact CE2-CB 4.42Å; Y313-L327 HydrophobicContact CG-CB 4.18Å; Y313-L327 HydrophobicContact CG-CD2 4.31Å; Y313-P330 HydrophobicContact CD1-CB 4.31Å; Y313-P330 HydrophobicContact CE1-CB 3.88Å; Y313-P330 HydrophobicContact CE2-CB 4.38Å
314	K	82.4	Confident	67.3	Low	102 Å²	102	74.2 Å²	74.2	44%	0.443	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-95.7	129.3	164.2	178.8	-169.8	172.5	-152.8	0	107.7	I299 N316 D331	I299-K314 HydrophobicContact CG2-CG 4.3Å; K314-N316 WeakPolarHBondContact CE-OD1 3.41Å; K314-N316 PolarHBondContact NZ-OD1 3.46Å; K314-D331 HydrophobicContact CB-CB 4.32Å
315	D	69.7	Low	65.5	Low	64 Å²	64	78.5 Å²	78.5	34%	0.342	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-75.8	131.5	172	-168.2	-0	0	0	0	109.9	P300 K317	P300-D315 HydrophobicContact CB-CB 4.11Å; P300-D315 HydrophobicContact CG-CB 4.3Å; P300-D315 PolarHBondContact O-N 3.14Å; D315-K317 PolarHBondContact OD1-N 2.99Å
316	N	58.8	Low	63.7	Low	120 Å²	120	84.1 Å²	84.1	64%	0.642	44%	0.44	S	S	*	.			trans	-126.9	0.3	179.1	-72.1	-40.6	0	0	0	112.3	K314	K314-N316 WeakPolarHBondContact CE-OD1 3.41Å; K314-N316 PolarHBondContact NZ-OD1 3.46Å
317	K	55.4	Low	62.8	Low	153 Å²	153	83.9 Å²	83.9	67%	0.665	44%	0.435	S	S	*	.	S	Bend	trans	-149.3	130.5	178.8	-69.8	-168.7	178	-176	0	111.8	D315 S319	D315-K317 PolarHBondContact OD1-N 2.99Å; K317-S319 PolarHBondContact O-N 3.48Å
318	P	47.4	Very low	62.5	Low	144 Å²	144	86 Å²	86	94%	0.935	46%	0.456	S	S	*	.	S	Bend	trans	-74.1	30.3	-173.6	34.3	-39.3	0	0	0	114.8
319	S	47.2	Very low	62.3	Low	78 Å²	78	93.5 Å²	93.5	55%	0.545	49%	0.485	S	S	.	.	S	Bend	trans	-131.9	113	-177.5	60.5	0	0	0	0	109.5	K317 P321	K317-S319 PolarHBondContact O-N 3.48Å; S319-P321 WeakPolarHBondContact O-CD 3.28Å
320	L	46.1	Very low	62.1	Low	132 Å²	132	92.7 Å²	92.7	69%	0.691	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-48.6	119.6	177.5	-81.2	159.1	0	0	0	111.4
321	P	42.7	Very low	61.8	Low	64 Å²	64	97 Å²	97	42%	0.416	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.5	171.1	-22.9	34.1	0	0	0	110.3	S319 L327	S319-P321 WeakPolarHBondContact O-CD 3.28Å; P321-L327 HydrophobicContact CB-CG 4.39Å; P321-L327 HydrophobicContact CG-CD2 4.3Å; P321-L327 HydrophobicContact CG-CG 4.23Å
322	K	48	Very low	61.7	Low	159 Å²	159	97.3 Å²	97.3	69%	0.691	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62.7	146.1	175.6	-65.7	-179.9	177.9	-179.6	0	109.3	Y324 Q325	K322-Y324 PolarHBondContact O-N 3.34Å; K322-Q325 HydrophobicContact CB-CG 4.24Å; K322-Q325 WeakPolarHBondContact O-CB 3.43Å; K322-Q325 PolarHBondContact O-N 3.28Å
323	I	47.4	Very low	61.5	Low	116 Å²	116	102.6 Å²	102.6	60%	0.595	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-36.7	-172.9	-65.2	172.5	0	0	0	112.8	R279	R279-I323 PolarHBondContact NH1-O 2.91Å
324	Y	42.4	Very low	61.5	Low	217 Å²	217	101.8 Å²	101.8	85%	0.851	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	12.7	-178.3	-55	-71.4	0	0	0	115.5	K322	K322-Y324 PolarHBondContact O-N 3.34Å
325	Q	49.5	Very low	61.6	Low	102 Å²	102	99 Å²	99	48%	0.477	52%	0.521	S	S	.	.	S	Bend	trans	-97.7	143.2	174.7	-70.8	-180	-51.2	0	0	111.7	R279 K322	R279-Q325 PolarHBondContact NH1-O 2.87Å; K322-Q325 HydrophobicContact CB-CG 4.24Å; K322-Q325 WeakPolarHBondContact O-CB 3.43Å; K322-Q325 PolarHBondContact O-N 3.28Å
326	P	47.5	Very low	62.2	Low	118 Å²	118	96.1 Å²	96.1	77%	0.766	51%	0.506	S	S	*	.			trans	-75.5	129.1	174.3	30	-33.2	0	0	0	110.9	G328	P326-G328 PolarHBondContact O-N 3.5Å
327	L	57.1	Low	63.1	Low	39 Å²	39	95.8 Å²	95.8	20%	0.204	50%	0.496	C	S	.	.			trans	-76.7	19.8	-179.2	-73.6	88.5	0	0	0	114.2	V302 Y313 P321	V302-L327 HydrophobicContact CB-CD2 3.91Å; V302-L327 HydrophobicContact CG1-CD2 3.89Å; V302-L327 HydrophobicContact CG2-CD2 3.93Å; Y313-L327 HydrophobicContact CD1-CB 3.69Å; Y313-L327 WeakPolarHBondContact CD1-O 3.24Å; Y313-L327 HydrophobicContact CD2-CD2 4.36Å; Y313-L327 HydrophobicContact CE1-CB 3.57Å; Y313-L327 HydrophobicContact CE2-CB 4.42Å; Y313-L327 HydrophobicContact CG-CB 4.18Å; Y313-L327 HydrophobicContact CG-CD2 4.31Å; P321-L327 HydrophobicContact CB-CG 4.39Å; P321-L327 HydrophobicContact CG-CD2 4.3Å; P321-L327 HydrophobicContact CG-CG 4.23Å
328	G	64.8	Low	64.1	Low	57 Å²	57	94 Å²	94	59%	0.588	49%	0.49	S	S	*	.			trans	69.6	-151.2	-172.8	0	0	0	0	0	112.9	P326	P326-G328 PolarHBondContact O-N 3.5Å
329	K	71.9	Confident	65.9	Low	195 Å²	195	87.4 Å²	87.4	85%	0.848	45%	0.447	S	S	*	.	S	Bend	trans	-78.6	129.5	179.5	-170.2	-179.9	177.7	-179.6	0	110.3
330	P	78.1	Confident	67.8	Low	33 Å²	33	90.6 Å²	90.6	21%	0.214	45%	0.451	C	S	.	.			trans	-64.8	147.5	171.6	29	-35.1	0	0	0	110.6	F311 Y313	F311-P330 HydrophobicContact CB-CB 4.18Å; F311-P330 HydrophobicContact CD1-CB 3.81Å; F311-P330 HydrophobicContact CD1-CG 3.77Å; F311-P330 HydrophobicContact CE1-CG 4.22Å; F311-P330 HydrophobicContact CG-CB 4.43Å; Y313-P330 HydrophobicContact CD1-CB 4.31Å; Y313-P330 HydrophobicContact CE1-CB 3.88Å; Y313-P330 HydrophobicContact CE2-CB 4.38Å
331	D	81.5	Confident	69.8	Low	93 Å²	93	86.3 Å²	86.3	50%	0.497	43%	0.43	S	S	.	.	S	Bend	trans	-88.4	-32.7	-178.5	179.7	79.7	0	0	0	111	R284 L312 K314	R284-D331 IonicContact CZ-OD2 3.74Å; R284-D331 IonicContact NH1-OD2 2.89Å; R284-D331 PolarHBondContact NH1-OD2 3.5Å; R284-D331 IonicContact NH2-OD2 2.7Å; R284-D331 PolarHBondContact NH2-OD2 3Å; L312-D331 WeakPolarHBondContact O-CB 3.47Å; L312-D331 PolarHBondContact O-N 3Å; L312-D331 VanDerWaalsContact O-N 3.11Å; K314-D331 HydrophobicContact CB-CB 4.32Å
332	V	84	Confident	72	Confident	35 Å²	35	85.5 Å²	85.5	21%	0.212	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.4	161.2	-160	0	0	0	0	109.9	L312 F334	L312-V332 HydrophobicContact CB-CB 4.25Å; L312-V332 HydrophobicContact CD2-CG2 4.49Å; L312-V332 PolarHBondContact N-O 3.44Å; L312-V332 PolarHBondContact O-N 2.94Å; V332-F334 HydrophobicContact CB-CE1 4.43Å; V332-F334 HydrophobicContact CB-CE2 4.17Å; V332-F334 HydrophobicContact CB-CZ 3.89Å; V332-F334 HydrophobicContact CG1-CD1 4.1Å; V332-F334 HydrophobicContact CG1-CE1 3.45Å; V332-F334 VanDerWaalsContact CG1-CE1 3.45Å; V332-F334 HydrophobicContact CG1-CE2 4Å; V332-F334 HydrophobicContact CG1-CZ 3.38Å
333	Q	84.5	Confident	74	Confident	111 Å²	111	83.7 Å²	83.7	52%	0.519	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133	172.5	172	-178	-24.4	0	0	108.4	L309 F311	L309-Q333 HydrophobicContact CD2-CG 4.38Å; F311-Q333 HydrophobicContact CD1-CB 3.95Å; F311-Q333 HydrophobicContact CD1-CG 3.84Å; F311-Q333 HydrophobicContact CE1-CB 4.22Å; F311-Q333 HydrophobicContact CE1-CG 3.69Å
334	F	85.5	Confident	75.9	Confident	5 Å²	5	79 Å²	79	2%	0.022	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.4	176.9	-44.3	-82.9	0	0	0	111.4	L310 L312 V332 V339 I357 C359 H368	L310-F334 HydrophobicContact CB-CB 4.47Å; L310-F334 HydrophobicContact CB-CD2 4.46Å; L310-F334 HydrophobicContact CD2-CD2 4.46Å; L310-F334 HydrophobicContact CG-CD2 4.49Å; L310-F334 PolarHBondContact N-O 3.31Å; L310-F334 WeakPolarHBondContact O-CD2 3.35Å; L310-F334 PolarHBondContact O-N 3.22Å; L312-F334 HydrophobicContact CB-CE2 4.19Å; L312-F334 HydrophobicContact CD2-CE2 4.44Å; V332-F334 HydrophobicContact CB-CE1 4.43Å; V332-F334 HydrophobicContact CB-CE2 4.17Å; V332-F334 HydrophobicContact CB-CZ 3.89Å; V332-F334 HydrophobicContact CG1-CD1 4.1Å; V332-F334 HydrophobicContact CG1-CE1 3.45Å; V332-F334 VanDerWaalsContact CG1-CE1 3.45Å; V332-F334 HydrophobicContact CG1-CE2 4Å; V332-F334 HydrophobicContact CG1-CZ 3.38Å; F334-V339 HydrophobicContact CB-CG2 3.46Å; F334-V339 VanDerWaalsContact CB-CG2 3.46Å; F334-V339 HydrophobicContact CD1-CG2 4.25Å; F334-V339 HydrophobicContact CG-CG2 4.03Å; F334-I357 HydrophobicContact CD1-CG2 4.47Å; F334-I357 HydrophobicContact CD2-CG2 4.35Å; F334-I357 HydrophobicContact CE1-CG2 4.18Å; F334-I357 HydrophobicContact CE2-CG2 4.06Å; F334-I357 HydrophobicContact CZ-CG2 3.97Å; F334-C359 HydrophobicContact CD1-CB 3.89Å; F334-C359 HydrophobicContact CE1-CB 4.22Å; F334-H368 AromaticContact CE1-CD2 3.62Å; F334-H368 AromaticContact CE1-NE2 3.8Å; F334-H368 AromaticContact CZ-CD2 3.45Å; F334-H368 VanDerWaalsContact CZ-CD2 3.45Å; F334-H368 WeakPolarHBondContact CZ-CD2 3.47Å; F334-H368 AromaticContact CZ-NE2 3.78Å
335	N	83.3	Confident	77.9	Confident	43 Å²	43	70.5 Å²	70.5	23%	0.23	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.7	164.3	178.1	0.1	0	0	0	109.1	R337 E338 V339	N335-R337 PolarHBondContact O-N 3.34Å; N335-R337 VanDerWaalsContact O-N 3.13Å; N335-R337 PolarHBondContact OD1-N 3.46Å; N335-E338 HydrophobicContact CB-CB 4.36Å; N335-E338 HydrophobicContact CB-CG 4.33Å; N335-E338 PolarHBondContact ND2-OE1 2.97Å; N335-E338 PolarHBondContact O-N 2.89Å; N335-V339 WeakPolarHBondContact O-CG2 3.46Å; N335-V339 PolarHBondContact O-N 3.37Å
336	I	83	Confident	79.3	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	-172.3	-67	165.2	0	0	0	112.9	L305 P308 L310 A387 K388 L391	L305-I336 HydrophobicContact CD1-CD1 3.2Å; L305-I336 HydrophobicContact CD1-CG1 4.49Å; P308-I336 WeakPolarHBondContact O-CD1 3.31Å; P308-I336 WeakPolarHBondContact O-CG1 3.31Å; P308-I336 PolarHBondContact O-N 2.75Å; P308-I336 VanDerWaalsContact O-N 3.1Å; L310-I336 HydrophobicContact CB-CD1 4.44Å; L310-I336 HydrophobicContact CB-CG1 4.01Å; I336-A387 HydrophobicContact CD1-CB 3.88Å; I336-A387 HydrophobicContact CG2-CB 4.28Å; I336-K388 HydrophobicContact CG2-CB 4.47Å; I336-K388 HydrophobicContact CG2-CD 4.5Å; I336-K388 HydrophobicContact CG2-CG 3.44Å; I336-K388 VanDerWaalsContact CG2-CG 3.44Å; I336-K388 WeakPolarHBondContact O-CE 3.33Å; I336-L391 HydrophobicContact CB-CD1 4.01Å; I336-L391 HydrophobicContact CG2-CD1 4.18Å
337	R	77	Confident	81	Confident	112 Å²	112	71.3 Å²	71.3	42%	0.423	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.4	171.7	-73.4	-178.6	165.5	134.1	4.4	113.4	N335 L391 D394	N335-R337 PolarHBondContact O-N 3.34Å; N335-R337 VanDerWaalsContact O-N 3.13Å; N335-R337 PolarHBondContact OD1-N 3.46Å; R337-L391 HydrophobicContact CG-CB 4.09Å; R337-L391 HydrophobicContact CG-CD1 4.21Å; R337-L391 PolarHBondContact NE-O 3.44Å; R337-L391 VanDerWaalsContact NE-O 3.15Å; R337-L391 PolarHBondContact NH2-O 3.47Å; R337-D394 IonicContact CZ-OD2 2.69Å; R337-D394 IonicContact NH1-OD2 2.7Å; R337-D394 IonicContact NH2-OD2 3.89Å; R337-D394 PolarHBondContact NH2-OD2 3.48Å
338	E	78.2	Confident	82.2	Confident	117 Å²	117	71.2 Å²	71.2	55%	0.547	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.9	-172.3	-68.6	156.8	-149.9	0	0	112.9	N335	N335-E338 HydrophobicContact CB-CB 4.36Å; N335-E338 HydrophobicContact CB-CG 4.33Å; N335-E338 PolarHBondContact ND2-OE1 2.97Å; N335-E338 PolarHBondContact O-N 2.89Å
339	V	84.8	Confident	83.3	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.03	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.9	-179.3	180	0	0	0	0	111.5	F334 N335 V341 I357 E358 C359 K388	F334-V339 HydrophobicContact CB-CG2 3.46Å; F334-V339 VanDerWaalsContact CB-CG2 3.46Å; F334-V339 HydrophobicContact CD1-CG2 4.25Å; F334-V339 HydrophobicContact CG-CG2 4.03Å; N335-V339 WeakPolarHBondContact O-CG2 3.46Å; N335-V339 PolarHBondContact O-N 3.37Å; V339-V341 HydrophobicContact CB-CG2 4.34Å; V339-V341 HydrophobicContact CG1-CG2 3.42Å; V339-V341 VanDerWaalsContact CG1-CG2 3.42Å; V339-I357 HydrophobicContact CG1-CB 4.43Å; V339-I357 HydrophobicContact CG1-CG2 3.66Å; V339-E358 CarbonylContact C-O 3.59Å; V339-E358 VanDerWaalsContact CA-O 3.29Å; V339-E358 WeakPolarHBondContact CA-O 3.42Å; V339-C359 HydrophobicContact CG2-CB 4.34Å; V339-K388 WeakPolarHBondContact O-CE 3.3Å; V339-K388 PolarHBondContact O-NZ 3.35Å
340	K	87	Confident	84	Confident	145 Å²	145	66 Å²	66	63%	0.63	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.5	160.6	-66.2	165.2	-174.6	163.7	0	107.8	E358	K340-E358 HydrophobicContact CB-CB 4.24Å; K340-E358 PolarHBondContact N-O 2.8Å; K340-E358 PolarHBondContact O-N 2.97Å
341	V	88.1	Confident	84.5	Confident	41 Å²	41	68.9 Å²	68.9	25%	0.248	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.3	177.1	-176.4	0	0	0	0	107.7	V339 L355 K356 I384	V339-V341 HydrophobicContact CB-CG2 4.34Å; V339-V341 HydrophobicContact CG1-CG2 3.42Å; V339-V341 VanDerWaalsContact CG1-CG2 3.42Å; V341-L355 HydrophobicContact CG1-CB 4.37Å; V341-L355 HydrophobicContact CG1-CD1 4.24Å; V341-L355 HydrophobicContact CG1-CD2 4.42Å; V341-K356 WeakPolarHBondContact CA-O 3.37Å; V341-I384 HydrophobicContact CB-CG2 4.34Å; V341-I384 HydrophobicContact CG1-CG2 4.4Å; V341-I384 HydrophobicContact CG2-CG2 4.01Å
342	S	88.7	Confident	84.8	Confident	47 Å²	47	72.8 Å²	72.8	33%	0.329	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	170.3	178.8	50.8	0	0	0	0	110.6	K356	S342-K356 PolarHBondContact N-O 3.12Å; S342-K356 PolarHBondContact O-N 2.99Å; S342-K356 WeakPolarHBondContact OG-CD 3.41Å
343	E	89.1	Confident	85.1	Confident	122 Å²	122	73.3 Å²	73.3	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.7	170	-172.1	149.7	-150.3	0	0	109.5	Y377	E343-Y377 VanDerWaalsContact CD-OH 3.23Å; E343-Y377 WeakPolarHBondContact CG-OH 3.48Å; E343-Y377 PolarHBondContact OE1-OH 3.23Å
344	A	87.7	Confident	85.5	Confident	18 Å²	18	68.2 Å²	68.2	15%	0.149	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73.5	130.3	-177.1	0	0	0	0	0	111.4	T349 V354 K356 L369	A344-T349 HydrophobicContact CB-CG2 3.68Å; A344-V354 HydrophobicContact CB-CB 4.02Å; A344-V354 HydrophobicContact CB-CG1 3.82Å; A344-V354 PolarHBondContact N-O 3.32Å; A344-V354 VanDerWaalsContact N-O 3.11Å; A344-K356 HydrophobicContact CB-CB 4.28Å; A344-L369 HydrophobicContact CB-CD2 3.94Å
345	S	84	Confident	85.8	Confident	38 Å²	38	68.1 Å²	68.1	27%	0.266	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.8	155.7	177.3	72.4	0	0	0	0	111.8	E347 Q348 T349	S345-E347 PolarHBondContact O-N 2.83Å; S345-E347 VanDerWaalsContact O-N 3.12Å; S345-E347 PolarHBondContact OG-OE2 3.34Å; S345-Q348 WeakPolarHBondContact O-CA 3.41Å; S345-Q348 WeakPolarHBondContact O-CB 3.49Å; S345-Q348 PolarHBondContact O-N 3.07Å; S345-Q348 WeakPolarHBondContact OG-CG 3.39Å; S345-Q348 PolarHBondContact OG-NE2 3.01Å; S345-T349 PolarHBondContact O-N 3.34Å; S345-T349 VanDerWaalsContact O-N 3.12Å
346	G	80.4	Confident	86.3	Confident	67 Å²	67	67.6 Å²	67.6	69%	0.691	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.7	177.9	0	0	0	0	0	113.9	Q348 T349	G346-Q348 VanDerWaalsContact C-N 3.29Å; G346-Q348 PolarHBondContact O-N 3.16Å; G346-T349 WeakPolarHBondContact CA-O 3.26Å; G346-T349 CarbonylContact O-C 3.45Å
347	E	81.9	Confident	86.7	Confident	169 Å²	169	67.4 Å²	67.4	79%	0.79	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-31.5	173.5	-50.7	160.6	138.6	0	0	112.2	S345	S345-E347 PolarHBondContact O-N 2.83Å; S345-E347 VanDerWaalsContact O-N 3.12Å; S345-E347 PolarHBondContact OG-OE2 3.34Å
348	Q	83.7	Confident	87.3	Confident	37 Å²	37	63.8 Å²	63.8	17%	0.173	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-36.3	179.5	-62.1	166.5	25.6	0	0	111	L287 K296 S345 G346	L287-Q348 HydrophobicContact CD2-CB 4.49Å; L287-Q348 HydrophobicContact CD2-CG 4.34Å; K296-Q348 PolarHBondContact NZ-O 2.83Å; S345-Q348 WeakPolarHBondContact O-CA 3.41Å; S345-Q348 WeakPolarHBondContact O-CB 3.49Å; S345-Q348 PolarHBondContact O-N 3.07Å; S345-Q348 WeakPolarHBondContact OG-CG 3.39Å; S345-Q348 PolarHBondContact OG-NE2 3.01Å; G346-Q348 VanDerWaalsContact C-N 3.29Å; G346-Q348 PolarHBondContact O-N 3.16Å
349	T	86.8	Confident	87.8	Confident	15 Å²	15	58.6 Å²	58.6	9%	0.092	32%	0.316	C	S	.	.			trans	-160.3	142.6	-179.6	-176.6	0	0	0	0	112.9	A344 S345 G346 R351 V354	A344-T349 HydrophobicContact CB-CG2 3.68Å; S345-T349 PolarHBondContact O-N 3.34Å; S345-T349 VanDerWaalsContact O-N 3.12Å; G346-T349 WeakPolarHBondContact CA-O 3.26Å; G346-T349 CarbonylContact O-C 3.45Å; T349-R351 VanDerWaalsContact C-N 3.32Å; T349-R351 WeakPolarHBondContact OG1-CB 3.48Å; T349-R351 PolarHBondContact OG1-N 2.84Å; T349-V354 HydrophobicContact CG2-CB 4.04Å; T349-V354 HydrophobicContact CG2-CG1 4.16Å; T349-V354 HydrophobicContact CG2-CG2 4.05Å
350	S	86.2	Confident	87.7	Confident	127 Å²	127	64.2 Å²	64.2	89%	0.888	34%	0.342	S	S	*	.	S	Bend	trans	-83.6	-5.8	168	54	0	0	0	0	113.5
351	R	88.9	Confident	87.1	Confident	94 Å²	94	60.9 Å²	60.9	36%	0.355	33%	0.333	S	S	.	.			trans	-81.6	130.8	178.2	-58.9	-167.6	176.2	-157.9	-1.8	111	W298 T349 V354 Q371	W298-R351 HydrophobicContact CZ2-CG 4.39Å; T349-R351 VanDerWaalsContact C-N 3.32Å; T349-R351 WeakPolarHBondContact OG1-CB 3.48Å; T349-R351 PolarHBondContact OG1-N 2.84Å; R351-V354 HydrophobicContact CB-CG2 3.88Å; R351-V354 VanDerWaalsContact O-CG2 3.31Å; R351-V354 WeakPolarHBondContact O-CG2 3.42Å; R351-Q371 VanDerWaalsContact CD-OE1 3.23Å
352	K	88.6	Confident	86.6	Confident	175 Å²	175	63.9 Å²	63.9	76%	0.761	36%	0.363	S	S	*	.	S	Bend	trans	-69.9	159.9	171.8	-60.2	-177.3	179.3	-177.6	0	111.6
353	N	89.8	Confident	86.1	Confident	47 Å²	47	64.4 Å²	64.4	25%	0.251	38%	0.376	S	S	.	.	S	Bend	trans	60.3	44.3	172.9	-47.7	-14.2	0	0	0	113.4	Q371 I372 A374 Y377	N353-Q371 WeakPolarHBondContact O-CA 3.32Å; N353-I372 WeakPolarHBondContact CB-O 3.14Å; N353-I372 PolarHBondContact O-N 3.41Å; N353-A374 VanDerWaalsContact ND2-CA 3.27Å; N353-A374 WeakPolarHBondContact ND2-CA 3.19Å; N353-A374 VanDerWaalsContact ND2-CB 3.33Å; N353-A374 WeakPolarHBondContact ND2-CB 3.17Å; N353-Y377 VanDerWaalsContact C-CE2 3.49Å; N353-Y377 HydrophobicContact CB-CD1 4.23Å; N353-Y377 HydrophobicContact CB-CD2 3.87Å; N353-Y377 HydrophobicContact CB-CE2 4.22Å; N353-Y377 HydrophobicContact CB-CG 3.89Å
354	V	92.7	Very high	85.9	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.7	-179	-179.9	0	0	0	0	110.2	W298 A344 T349 R351 L369 V370 Q371	W298-V354 HydrophobicContact CH2-CG1 4.21Å; W298-V354 HydrophobicContact CH2-CG2 4.15Å; A344-V354 HydrophobicContact CB-CB 4.02Å; A344-V354 HydrophobicContact CB-CG1 3.82Å; A344-V354 PolarHBondContact N-O 3.32Å; A344-V354 VanDerWaalsContact N-O 3.11Å; T349-V354 HydrophobicContact CG2-CB 4.04Å; T349-V354 HydrophobicContact CG2-CG1 4.16Å; T349-V354 HydrophobicContact CG2-CG2 4.05Å; R351-V354 HydrophobicContact CB-CG2 3.88Å; R351-V354 VanDerWaalsContact O-CG2 3.31Å; R351-V354 WeakPolarHBondContact O-CG2 3.42Å; V354-L369 HydrophobicContact CG1-CB 3.79Å; V354-L369 HydrophobicContact CG1-CD2 4.18Å; V354-L369 HydrophobicContact CG1-CG 4.49Å; V354-V370 WeakPolarHBondContact CA-O 3.2Å; V354-Q371 HydrophobicContact CG2-CB 3.94Å; V354-Q371 HydrophobicContact CG2-CG 4.04Å
355	L	92.2	Very high	85.9	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.1	166.4	-61.3	-175.1	0	0	0	109.8	V341 I357 V370 I372 Y377 K381 I384	V341-L355 HydrophobicContact CG1-CB 4.37Å; V341-L355 HydrophobicContact CG1-CD1 4.24Å; V341-L355 HydrophobicContact CG1-CD2 4.42Å; L355-I357 HydrophobicContact CB-CG1 4.5Å; L355-V370 PolarHBondContact N-O 3.07Å; L355-V370 PolarHBondContact O-N 3Å; L355-I372 HydrophobicContact CD1-CD1 3.62Å; L355-I372 HydrophobicContact CG-CD1 3.98Å; L355-Y377 HydrophobicContact CD2-CE2 3.55Å; L355-Y377 HydrophobicContact CG-CE2 3.91Å; L355-K381 HydrophobicContact CD2-CD 4.17Å; L355-K381 HydrophobicContact CD2-CG 3.81Å; L355-I384 HydrophobicContact CD1-CD1 3.76Å
356	K	92.9	Very high	86.1	Confident	33 Å²	33	64 Å²	64	14%	0.143	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116	166	-171.4	-159.2	-172.6	-155.2	0	107.8	V341 S342 A344 E358 V367 L369	V341-K356 WeakPolarHBondContact CA-O 3.37Å; S342-K356 PolarHBondContact N-O 3.12Å; S342-K356 PolarHBondContact O-N 2.99Å; S342-K356 WeakPolarHBondContact OG-CD 3.41Å; A344-K356 HydrophobicContact CB-CB 4.28Å; K356-E358 HydrophobicContact CD-CG 3.99Å; K356-E358 WeakPolarHBondContact CE-OE1 3.41Å; K356-E358 WeakPolarHBondContact CE-OE2 3.35Å; K356-E358 HydrophobicContact CG-CG 4Å; K356-E358 IonicContact NZ-OE1 2.73Å; K356-E358 PolarHBondContact NZ-OE1 2.71Å; K356-E358 IonicContact NZ-OE2 3.14Å; K356-E358 PolarHBondContact NZ-OE2 3.25Å; K356-V367 HydrophobicContact CG-CG1 3.91Å; K356-L369 HydrophobicContact CB-CD2 4.08Å; K356-L369 HydrophobicContact CG-CD2 4.03Å
357	I	91.8	Very high	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107	-179.1	-66.6	-177.6	0	0	0	106.8	L310 F334 V339 L355 V367 H368 V370	L310-I357 HydrophobicContact CD2-CD1 4.13Å; F334-I357 HydrophobicContact CD1-CG2 4.47Å; F334-I357 HydrophobicContact CD2-CG2 4.35Å; F334-I357 HydrophobicContact CE1-CG2 4.18Å; F334-I357 HydrophobicContact CE2-CG2 4.06Å; F334-I357 HydrophobicContact CZ-CG2 3.97Å; V339-I357 HydrophobicContact CG1-CB 4.43Å; V339-I357 HydrophobicContact CG1-CG2 3.66Å; L355-I357 HydrophobicContact CB-CG1 4.5Å; I357-V367 WeakPolarHBondContact O-CA 3.15Å; I357-H368 HydrophobicContact CB-CB 4.32Å; I357-H368 PolarHBondContact N-O 2.88Å; I357-H368 PolarHBondContact O-N 3.36Å; I357-V370 HydrophobicContact CD1-CB 4.32Å; I357-V370 HydrophobicContact CD1-CG2 3.75Å
358	E	90.9	Very high	87.1	Confident	36 Å²	36	53.1 Å²	53.1	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	179.8	-48.1	-173.6	90	0	0	109.6	V339 K340 K356 L365 N366 V367	V339-E358 CarbonylContact C-O 3.59Å; V339-E358 VanDerWaalsContact CA-O 3.29Å; V339-E358 WeakPolarHBondContact CA-O 3.42Å; K340-E358 HydrophobicContact CB-CB 4.24Å; K340-E358 PolarHBondContact N-O 2.8Å; K340-E358 PolarHBondContact O-N 2.97Å; K356-E358 HydrophobicContact CD-CG 3.99Å; K356-E358 WeakPolarHBondContact CE-OE1 3.41Å; K356-E358 WeakPolarHBondContact CE-OE2 3.35Å; K356-E358 HydrophobicContact CG-CG 4Å; K356-E358 IonicContact NZ-OE1 2.73Å; K356-E358 PolarHBondContact NZ-OE1 2.71Å; K356-E358 IonicContact NZ-OE2 3.14Å; K356-E358 PolarHBondContact NZ-OE2 3.25Å; E358-L365 HydrophobicContact CB-CD1 4.31Å; E358-N366 WeakPolarHBondContact CA-O 3.44Å; E358-V367 HydrophobicContact CB-CG2 4.32Å; E358-V367 HydrophobicContact CG-CG1 4.13Å; E358-V367 HydrophobicContact CG-CG2 3.99Å
359	C	87.7	Confident	87.6	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.5	179.1	-176	0	0	0	0	108.9	F334 V339 N366	F334-C359 HydrophobicContact CD1-CB 3.89Å; F334-C359 HydrophobicContact CE1-CB 4.22Å; V339-C359 HydrophobicContact CG2-CB 4.34Å; C359-N366 PolarHBondContact N-O 3.18Å; C359-N366 PolarHBondContact O-N 2.9Å
360	E	83.8	Confident	87.9	Confident	123 Å²	123	50.7 Å²	50.7	58%	0.575	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.9	176.4	-164.8	179.8	145.8	0	0	108.9	K364	E360-K364 CarbonylContact C-O 3.53Å; E360-K364 WeakPolarHBondContact CA-O 3.4Å
361	T	74.5	Confident	88.2	Confident	74 Å²	74	46.8 Å²	46.8	45%	0.454	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.9	-174.6	-43.9	0	0	0	0	109	G363 K364 N366	T361-G363 VanDerWaalsContact C-N 3.25Å; T361-G363 PolarHBondContact O-N 2.72Å; T361-K364 PolarHBondContact N-O 3.12Å; T361-K364 PolarHBondContact O-N 3.25Å; T361-K364 VanDerWaalsContact O-N 3.14Å; T361-N366 PolarHBondContact OG1-ND2 3.49Å
362	A	76.6	Confident	88.3	Confident	105 Å²	105	42.5 Å²	42.5	87%	0.868	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.4	-175.3	0	0	0	0	0	114
363	G	78.5	Confident	88.3	Confident	58 Å²	58	37 Å²	37	60%	0.598	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	18.4	179.2	0	0	0	0	0	115	T361	T361-G363 VanDerWaalsContact C-N 3.25Å; T361-G363 PolarHBondContact O-N 2.72Å
364	K	84.3	Confident	88.1	Confident	90 Å²	90	38.3 Å²	38.3	39%	0.391	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.6	178.1	-56.7	-171.1	-175	171.4	0	111.5	N290 D291 E360 T361	N290-K364 HydrophobicContact CB-CD 3.93Å; N290-K364 WeakPolarHBondContact OD1-CD 3.35Å; D291-K364 WeakPolarHBondContact OD2-CA 3.48Å; D291-K364 WeakPolarHBondContact OD2-CB 3.47Å; D291-K364 VanDerWaalsContact OD2-CG 3.27Å; D291-K364 WeakPolarHBondContact OD2-CG 3.26Å; E360-K364 CarbonylContact C-O 3.53Å; E360-K364 WeakPolarHBondContact CA-O 3.4Å; T361-K364 PolarHBondContact N-O 3.12Å; T361-K364 PolarHBondContact O-N 3.25Å; T361-K364 VanDerWaalsContact O-N 3.14Å
365	L	87.1	Confident	87.5	Confident	57 Å²	57	45.7 Å²	45.7	30%	0.298	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.9	-178.5	-174.7	63.7	0	0	0	111.6	I288 N290 D291 E358 V367	I288-L365 HydrophobicContact CD1-CD2 4.23Å; I288-L365 WeakPolarHBondContact CG2-O 3.47Å; N290-L365 PolarHBondContact N-O 2.79Å; D291-L365 PolarHBondContact N-O 3.32Å; D291-L365 WeakPolarHBondContact OD1-CB 3.1Å; D291-L365 PolarHBondContact OD1-N 2.68Å; E358-L365 HydrophobicContact CB-CD1 4.31Å; L365-V367 HydrophobicContact CD1-CG2 4.16Å; L365-V367 HydrophobicContact CD2-CG2 4.01Å; L365-V367 HydrophobicContact CG-CG2 3.85Å
366	N	89.3	Confident	87	Confident	21 Å²	21	47.8 Å²	47.8	11%	0.112	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.8	167.7	-63.1	-59.4	0	0	0	108.9	I288 E289 N290 E358 C359 T361	I288-N366 WeakPolarHBondContact O-CA 3.41Å; E289-N366 WeakPolarHBondContact CA-OD1 3.4Å; N290-N366 PolarHBondContact N-OD1 2.87Å; E358-N366 WeakPolarHBondContact CA-O 3.44Å; C359-N366 PolarHBondContact N-O 3.18Å; C359-N366 PolarHBondContact O-N 2.9Å; T361-N366 PolarHBondContact OG1-ND2 3.49Å
367	V	91.6	Very high	86.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.8	-180	-177.1	0	0	0	0	110.2	L287 I288 K356 I357 E358 L365	L287-V367 HydrophobicContact CB-CB 4.32Å; L287-V367 HydrophobicContact CB-CG1 4.18Å; L287-V367 HydrophobicContact CD2-CG1 3.99Å; L287-V367 PolarHBondContact N-O 2.87Å; I288-V367 HydrophobicContact CB-CB 4.03Å; I288-V367 HydrophobicContact CB-CG2 4.05Å; I288-V367 HydrophobicContact CD1-CB 4.47Å; I288-V367 HydrophobicContact CD1-CG2 3.94Å; I288-V367 HydrophobicContact CG1-CB 4.17Å; I288-V367 HydrophobicContact CG1-CG2 4.13Å; I288-V367 PolarHBondContact N-O 3.49Å; I288-V367 PolarHBondContact O-N 3.14Å; K356-V367 HydrophobicContact CG-CG1 3.91Å; I357-V367 WeakPolarHBondContact O-CA 3.15Å; E358-V367 HydrophobicContact CB-CG2 4.32Å; E358-V367 HydrophobicContact CG-CG1 4.13Å; E358-V367 HydrophobicContact CG-CG2 3.99Å; L365-V367 HydrophobicContact CD1-CG2 4.16Å; L365-V367 HydrophobicContact CD2-CG2 4.01Å; L365-V367 HydrophobicContact CG-CG2 3.85Å
368	H	91.9	Very high	86.2	Confident	9 Å²	9	51.8 Å²	51.8	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145	174	-56.8	-88.9	0	0	0	110.3	T285 M286 F334 I357	T285-H368 WeakPolarHBondContact O-CA 3.43Å; M286-H368 VanDerWaalsContact SD-CE1 3.59Å; F334-H368 AromaticContact CE1-CD2 3.62Å; F334-H368 AromaticContact CE1-NE2 3.8Å; F334-H368 AromaticContact CZ-CD2 3.45Å; F334-H368 VanDerWaalsContact CZ-CD2 3.45Å; F334-H368 WeakPolarHBondContact CZ-CD2 3.47Å; F334-H368 AromaticContact CZ-NE2 3.78Å; I357-H368 HydrophobicContact CB-CB 4.32Å; I357-H368 PolarHBondContact N-O 2.88Å; I357-H368 PolarHBondContact O-N 3.36Å
369	L	93	Very high	85.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.9	172.1	-62.4	178.9	0	0	0	107.9	R284 T285 L287 W298 A344 V354 K356	R284-L369 WeakPolarHBondContact CA-O 3.23Å; T285-L369 HydrophobicContact CG2-CB 3.81Å; T285-L369 HydrophobicContact CG2-CD1 4.19Å; T285-L369 HydrophobicContact CG2-CG 4.42Å; T285-L369 PolarHBondContact N-O 2.69Å; T285-L369 PolarHBondContact O-N 3.28Å; L287-L369 HydrophobicContact CB-CD1 4.33Å; L287-L369 HydrophobicContact CB-CG 4.28Å; L287-L369 HydrophobicContact CD1-CD1 4.44Å; L287-L369 HydrophobicContact CD2-CD1 4.32Å; L287-L369 HydrophobicContact CD2-CG 4.48Å; W298-L369 HydrophobicContact CH2-CB 3.94Å; W298-L369 HydrophobicContact CZ3-CB 4.42Å; A344-L369 HydrophobicContact CB-CD2 3.94Å; V354-L369 HydrophobicContact CG1-CB 3.79Å; V354-L369 HydrophobicContact CG1-CD2 4.18Å; V354-L369 HydrophobicContact CG1-CG 4.49Å; K356-L369 HydrophobicContact CB-CD2 4.08Å; K356-L369 HydrophobicContact CG-CD2 4.03Å
370	V	93.2	Very high	85.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.8	-177	-177.3	0	0	0	0	109.3	V282 R284 L303 L312 V354 L355 I357 I372	V282-V370 HydrophobicContact CB-CG1 3.65Å; V282-V370 HydrophobicContact CG1-CG1 3.82Å; V282-V370 HydrophobicContact CG2-CG1 3.79Å; R284-V370 HydrophobicContact CB-CG2 4.44Å; L303-V370 HydrophobicContact CD2-CG1 4.43Å; L312-V370 HydrophobicContact CD1-CG2 4.23Å; L312-V370 HydrophobicContact CD2-CG2 4.42Å; V354-V370 WeakPolarHBondContact CA-O 3.2Å; L355-V370 PolarHBondContact N-O 3.07Å; L355-V370 PolarHBondContact O-N 3Å; I357-V370 HydrophobicContact CD1-CB 4.32Å; I357-V370 HydrophobicContact CD1-CG2 3.75Å; V370-I372 HydrophobicContact CG1-CG1 4.27Å
371	Q	93.2	Very high	85.7	Confident	46 Å²	46	48.3 Å²	48.3	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.6	173.5	-169.2	-176.3	6.5	0	0	110	V282 I283 W298 R351 N353 V354	V282-Q371 WeakPolarHBondContact CA-O 3.46Å; V282-Q371 WeakPolarHBondContact CB-O 3.42Å; I283-Q371 HydrophobicContact CB-CB 4.28Å; I283-Q371 PolarHBondContact N-O 2.85Å; I283-Q371 WeakPolarHBondContact O-CB 3.45Å; I283-Q371 PolarHBondContact O-N 3.46Å; W298-Q371 HydrophobicContact CZ3-CB 3.98Å; R351-Q371 VanDerWaalsContact CD-OE1 3.23Å; N353-Q371 WeakPolarHBondContact O-CA 3.32Å; V354-Q371 HydrophobicContact CG2-CB 3.94Å; V354-Q371 HydrophobicContact CG2-CG 4.04Å
372	I	90.9	Very high	86	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	29%	0.286	C	S	.	.			trans	-117.7	145	-176.5	-57.2	-176.3	0	0	0	108.9	V282 L303 N353 L355 V370 D376 Y377 W380	V282-I372 HydrophobicContact CG1-CG1 4.05Å; L303-I372 HydrophobicContact CD2-CD1 4.24Å; N353-I372 WeakPolarHBondContact CB-O 3.14Å; N353-I372 PolarHBondContact O-N 3.41Å; L355-I372 HydrophobicContact CD1-CD1 3.62Å; L355-I372 HydrophobicContact CG-CD1 3.98Å; V370-I372 HydrophobicContact CG1-CG1 4.27Å; I372-D376 HydrophobicContact CG2-CB 3.66Å; I372-Y377 HydrophobicContact CB-CD2 4.17Å; I372-W380 HydrophobicContact CD1-CB 3.79Å; I372-W380 HydrophobicContact CD1-CG 3.89Å; I372-W380 HydrophobicContact CG2-CG 4.28Å
373	P	88.2	Confident	86.2	Confident	59 Å²	59	42 Å²	42	38%	0.383	25%	0.247	S	C	.	.			trans	-53.2	145.3	171.4	-25.5	34.8	0	0	0	112.2	I375 D376 Y377	P373-I375 VanDerWaalsContact C-N 3.34Å; P373-I375 HydrophobicContact CB-CG2 4.3Å; P373-I375 PolarHBondContact O-N 2.8Å; P373-D376 HydrophobicContact CB-CB 4.25Å; P373-D376 WeakPolarHBondContact O-CB 3.29Å; P373-D376 PolarHBondContact O-N 2.9Å; P373-Y377 PolarHBondContact O-N 3.01Å; P373-Y377 VanDerWaalsContact O-N 3.07Å
374	A	85.7	Confident	86.5	Confident	75 Å²	75	39.6 Å²	39.6	62%	0.62	22%	0.22	S	C	*	.	H	α-helix	trans	-59	-43.5	-173.7	0	0	0	0	0	113.2	N353 D376 Y377	N353-A374 VanDerWaalsContact ND2-CA 3.27Å; N353-A374 WeakPolarHBondContact ND2-CA 3.19Å; N353-A374 VanDerWaalsContact ND2-CB 3.33Å; N353-A374 WeakPolarHBondContact ND2-CB 3.17Å; A374-D376 PolarHBondContact O-N 3.2Å; A374-Y377 PolarHBondContact O-N 3.23Å
375	I	79.8	Confident	86.3	Confident	157 Å²	157	42 Å²	42	81%	0.805	23%	0.227	S	C	*	.	H	α-helix	trans	-59.4	-29.7	176.7	-166.2	166.7	0	0	0	113.1	P373	P373-I375 VanDerWaalsContact C-N 3.34Å; P373-I375 HydrophobicContact CB-CG2 4.3Å; P373-I375 PolarHBondContact O-N 2.8Å
376	D	81.5	Confident	85.7	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-90.9	-24.6	-176.3	-96.2	-66.6	0	0	0	112.9	R278 I372 P373 A374 E378 S379 W380	R278-D376 IonicContact CZ-OD1 2.67Å; R278-D376 IonicContact NH2-OD1 3.72Å; R278-D376 PolarHBondContact NH2-OD1 3.35Å; I372-D376 HydrophobicContact CG2-CB 3.66Å; P373-D376 HydrophobicContact CB-CB 4.25Å; P373-D376 WeakPolarHBondContact O-CB 3.29Å; P373-D376 PolarHBondContact O-N 2.9Å; A374-D376 PolarHBondContact O-N 3.2Å; D376-E378 PolarHBondContact O-N 2.84Å; D376-S379 CarbonylContact O-C 3.55Å; D376-S379 PolarHBondContact O-N 3.4Å; D376-S379 PolarHBondContact O-OG 2.92Å; D376-W380 PolarHBondContact O-N 3.42Å
377	Y	86.1	Confident	85	Confident	8 Å²	8	44.1 Å²	44.1	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-53	-163.4	-173.4	-124.5	0	0	0	114.3	E343 N353 L355 I372 P373 A374 S379 W380 K381	E343-Y377 VanDerWaalsContact CD-OH 3.23Å; E343-Y377 WeakPolarHBondContact CG-OH 3.48Å; E343-Y377 PolarHBondContact OE1-OH 3.23Å; N353-Y377 VanDerWaalsContact C-CE2 3.49Å; N353-Y377 HydrophobicContact CB-CD1 4.23Å; N353-Y377 HydrophobicContact CB-CD2 3.87Å; N353-Y377 HydrophobicContact CB-CE2 4.22Å; N353-Y377 HydrophobicContact CB-CG 3.89Å; L355-Y377 HydrophobicContact CD2-CE2 3.55Å; L355-Y377 HydrophobicContact CG-CE2 3.91Å; I372-Y377 HydrophobicContact CB-CD2 4.17Å; P373-Y377 PolarHBondContact O-N 3.01Å; P373-Y377 VanDerWaalsContact O-N 3.07Å; A374-Y377 PolarHBondContact O-N 3.23Å; Y377-S379 VanDerWaalsContact C-N 3.28Å; Y377-S379 PolarHBondContact O-N 3.42Å; Y377-W380 PolarHBondContact O-N 3.11Å; Y377-K381 HydrophobicContact CE1-CD 4.04Å; Y377-K381 VanDerWaalsContact CE1-CE 3.41Å; Y377-K381 VanDerWaalsContact CE1-NZ 3.33Å; Y377-K381 HydrophobicContact CE2-CD 4.45Å; Y377-K381 PolarHBondContact O-N 2.92Å
378	E	82.3	Confident	84.4	Confident	110 Å²	110	46.6 Å²	46.6	51%	0.514	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-36.2	177.7	-67.9	-50.9	138.6	0	0	112.2	D376 K381 A382	D376-E378 PolarHBondContact O-N 2.84Å; E378-K381 VanDerWaalsContact CD-NZ 3.3Å; E378-K381 CarbonylContact O-C 3.3Å; E378-K381 PolarHBondContact O-N 2.72Å; E378-K381 WeakPolarHBondContact OE1-CE 3.36Å; E378-K381 IonicContact OE1-NZ 3.13Å; E378-K381 PolarHBondContact OE1-NZ 3.49Å; E378-K381 WeakPolarHBondContact OE2-CE 3.32Å; E378-K381 IonicContact OE2-NZ 2.73Å; E378-K381 PolarHBondContact OE2-NZ 3.43Å; E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 3.05Å
379	S	81.4	Confident	83.3	Confident	44 Å²	44	50 Å²	50	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-76	-25.4	-178.1	74.5	0	0	0	0	113.1	R278 D376 Y377 A383	R278-S379 VanDerWaalsContact CZ-OG 3.25Å; R278-S379 PolarHBondContact NH1-O 3.03Å; R278-S379 PolarHBondContact NH1-OG 3.36Å; R278-S379 VanDerWaalsContact NH1-OG 3.08Å; R278-S379 PolarHBondContact NH2-OG 3.07Å; D376-S379 CarbonylContact O-C 3.55Å; D376-S379 PolarHBondContact O-N 3.4Å; D376-S379 PolarHBondContact O-OG 2.92Å; Y377-S379 VanDerWaalsContact C-N 3.28Å; Y377-S379 PolarHBondContact O-N 3.42Å; S379-A383 VanDerWaalsContact O-CB 3.3Å; S379-A383 WeakPolarHBondContact O-CB 3Å; S379-A383 PolarHBondContact O-N 3.13Å
380	W	86.4	Confident	82	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-73.8	-41.9	164.3	-84.1	99.4	0	0	0	112.4	R278 L303 L305 L310 I372 D376 Y377 A382 A383 I384	R278-W380 HydrophobicContact CB-CH2 4.22Å; R278-W380 HydrophobicContact CB-CZ3 4.43Å; R278-W380 HydrophobicContact CG-CH2 3.84Å; R278-W380 HydrophobicContact CG-CZ2 3.83Å; R278-W380 HydrophobicContact CG-CZ3 4.23Å; R278-W380 VanDerWaalsContact NE-CE2 3.3Å; R278-W380 WeakPolarHBondContact O-CH2 3.39Å; L303-W380 HydrophobicContact CB-CH2 3.96Å; L303-W380 HydrophobicContact CB-CZ2 4.15Å; L303-W380 HydrophobicContact CB-CZ3 4.44Å; L303-W380 HydrophobicContact CD2-CD2 3.88Å; L303-W380 HydrophobicContact CD2-CE3 3.56Å; L303-W380 HydrophobicContact CD2-CH2 3.87Å; L303-W380 HydrophobicContact CD2-CZ2 4.16Å; L303-W380 HydrophobicContact CD2-CZ3 3.56Å; L303-W380 HydrophobicContact CG-CE3 4.26Å; L303-W380 HydrophobicContact CG-CH2 3.74Å; L303-W380 HydrophobicContact CG-CZ2 4.29Å; L303-W380 HydrophobicContact CG-CZ3 3.72Å; L303-W380 WeakPolarHBondContact O-CH2 3.44Å; L305-W380 HydrophobicContact CB-CH2 4.45Å; L305-W380 HydrophobicContact CB-CZ3 3.86Å; L310-W380 HydrophobicContact CD1-CZ3 4.39Å; I372-W380 HydrophobicContact CD1-CB 3.79Å; I372-W380 HydrophobicContact CD1-CG 3.89Å; I372-W380 HydrophobicContact CG2-CG 4.28Å; D376-W380 PolarHBondContact O-N 3.42Å; Y377-W380 PolarHBondContact O-N 3.11Å; W380-A382 PolarHBondContact O-N 3.48Å; W380-A383 PolarHBondContact O-N 2.93Å; W380-I384 HydrophobicContact CE3-CD1 4.45Å; W380-I384 WeakPolarHBondContact O-CB 3.24Å; W380-I384 WeakPolarHBondContact O-CG1 3.39Å; W380-I384 PolarHBondContact O-N 2.86Å
381	K	84.9	Confident	80.7	Confident	48 Å²	48	52.7 Å²	52.7	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-39	171.8	-75.5	-171	-67.4	177.5	0	111.2	L355 Y377 E378 R385	L355-K381 HydrophobicContact CD2-CD 4.17Å; L355-K381 HydrophobicContact CD2-CG 3.81Å; Y377-K381 HydrophobicContact CE1-CD 4.04Å; Y377-K381 VanDerWaalsContact CE1-CE 3.41Å; Y377-K381 VanDerWaalsContact CE1-NZ 3.33Å; Y377-K381 HydrophobicContact CE2-CD 4.45Å; Y377-K381 PolarHBondContact O-N 2.92Å; E378-K381 VanDerWaalsContact CD-NZ 3.3Å; E378-K381 CarbonylContact O-C 3.3Å; E378-K381 PolarHBondContact O-N 2.72Å; E378-K381 WeakPolarHBondContact OE1-CE 3.36Å; E378-K381 IonicContact OE1-NZ 3.13Å; E378-K381 PolarHBondContact OE1-NZ 3.49Å; E378-K381 WeakPolarHBondContact OE2-CE 3.32Å; E378-K381 IonicContact OE2-NZ 2.73Å; E378-K381 PolarHBondContact OE2-NZ 3.43Å; K381-R385 WeakPolarHBondContact O-CB 3.22Å; K381-R385 VanDerWaalsContact O-CG 3.27Å; K381-R385 WeakPolarHBondContact O-CG 3.41Å; K381-R385 PolarHBondContact O-N 3.48Å; K381-R385 PolarHBondContact O-NE 3.18Å
382	A	79.7	Confident	79.2	Confident	39 Å²	39	55.6 Å²	55.6	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-46.1	174.3	0	0	0	0	0	112.4	E378 W380 I384 R385 Y386	E378-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 PolarHBondContact O-N 3.05Å; W380-A382 PolarHBondContact O-N 3.48Å; A382-I384 PolarHBondContact O-N 2.95Å; A382-R385 PolarHBondContact O-N 2.97Å; A382-Y386 WeakPolarHBondContact O-CB 3.48Å; A382-Y386 PolarHBondContact O-N 3.36Å
383	A	82	Confident	77.5	Confident	7 Å²	7	63.5 Å²	63.5	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-37.9	179.2	0	0	0	0	0	113	F276 L305 S379 W380 A387	F276-A383 HydrophobicContact CE1-CB 4.23Å; F276-A383 HydrophobicContact CZ-CB 4.06Å; L305-A383 HydrophobicContact CD2-CB 3.9Å; S379-A383 VanDerWaalsContact O-CB 3.3Å; S379-A383 WeakPolarHBondContact O-CB 3Å; S379-A383 PolarHBondContact O-N 3.13Å; W380-A383 PolarHBondContact O-N 2.93Å; A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.29Å; A383-A387 PolarHBondContact O-N 3.22Å
384	I	84.2	Confident	75.6	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-71.8	-38.1	175.7	-68.1	168.8	0	0	0	111.3	V341 L355 W380 A382 K388	V341-I384 HydrophobicContact CB-CG2 4.34Å; V341-I384 HydrophobicContact CG1-CG2 4.4Å; V341-I384 HydrophobicContact CG2-CG2 4.01Å; L355-I384 HydrophobicContact CD1-CD1 3.76Å; W380-I384 HydrophobicContact CE3-CD1 4.45Å; W380-I384 WeakPolarHBondContact O-CB 3.24Å; W380-I384 WeakPolarHBondContact O-CG1 3.39Å; W380-I384 PolarHBondContact O-N 2.86Å; A382-I384 PolarHBondContact O-N 2.95Å; I384-K388 WeakPolarHBondContact O-CG 3.12Å; I384-K388 PolarHBondContact O-N 3.35Å
385	R	80.3	Confident	73.5	Confident	142 Å²	142	68.4 Å²	68.4	54%	0.536	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-54.2	170.5	-79.4	-176.9	-66.2	119.4	-9	110.6	K381 A382 A387 K388 D389	K381-R385 WeakPolarHBondContact O-CB 3.22Å; K381-R385 VanDerWaalsContact O-CG 3.27Å; K381-R385 WeakPolarHBondContact O-CG 3.41Å; K381-R385 PolarHBondContact O-N 3.48Å; K381-R385 PolarHBondContact O-NE 3.18Å; A382-R385 PolarHBondContact O-N 2.97Å; R385-A387 VanDerWaalsContact C-N 3.3Å; R385-A387 PolarHBondContact O-N 2.95Å; R385-K388 CarbonylContact O-C 3.6Å; R385-K388 WeakPolarHBondContact O-CA 3.41Å; R385-K388 WeakPolarHBondContact O-CB 3.45Å; R385-K388 PolarHBondContact O-N 3.45Å; R385-D389 PolarHBondContact O-N 3.25Å; R385-D389 VanDerWaalsContact O-OD2 3.07Å
386	Y	74.2	Confident	71.3	Confident	114 Å²	114	62.4 Å²	62.4	45%	0.447	31%	0.312	S	S	.	.	H	α-helix	trans	-54.5	-44.3	178.2	-174.3	-109.1	0	0	0	112.6	F276 A382 K388 D389 L390	F276-Y386 HydrophobicContact CD2-CD1 4.2Å; F276-Y386 HydrophobicContact CD2-CE1 4.07Å; F276-Y386 HydrophobicContact CE1-CD1 4.21Å; F276-Y386 AromaticContact CE2-CD1 3.71Å; F276-Y386 HydrophobicContact CE2-CD1 3.71Å; F276-Y386 AromaticContact CE2-CE1 3.94Å; F276-Y386 HydrophobicContact CE2-CE1 3.94Å; F276-Y386 AromaticContact CZ-CD1 3.71Å; F276-Y386 HydrophobicContact CZ-CD1 3.71Å; F276-Y386 HydrophobicContact CZ-CE1 4.39Å; A382-Y386 WeakPolarHBondContact O-CB 3.48Å; A382-Y386 PolarHBondContact O-N 3.36Å; Y386-K388 VanDerWaalsContact C-N 3.33Å; Y386-K388 PolarHBondContact O-N 3.06Å; Y386-D389 PolarHBondContact O-N 3.42Å; Y386-L390 HydrophobicContact CD1-CD2 4.38Å; Y386-L390 HydrophobicContact CE1-CD2 3.73Å; Y386-L390 WeakPolarHBondContact O-CB 3.35Å; Y386-L390 PolarHBondContact O-N 3.42Å
387	A	75.6	Confident	69.2	Low	7 Å²	7	64.4 Å²	64.4	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-33.6	174.9	0	0	0	0	0	113.1	L305 I336 A383 R385 L391	L305-A387 HydrophobicContact CD1-CB 4.13Å; L305-A387 HydrophobicContact CD2-CB 4.36Å; I336-A387 HydrophobicContact CD1-CB 3.88Å; I336-A387 HydrophobicContact CG2-CB 4.28Å; A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.29Å; A383-A387 PolarHBondContact O-N 3.22Å; R385-A387 VanDerWaalsContact C-N 3.3Å; R385-A387 PolarHBondContact O-N 2.95Å; A387-L391 WeakPolarHBondContact O-CB 3.45Å; A387-L391 WeakPolarHBondContact O-CD1 3.42Å; A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 3.24Å
388	K	77.7	Confident	66.7	Low	52 Å²	52	68.9 Å²	68.9	23%	0.226	36%	0.355	C	S	.	.	H	α-helix	trans	-70.9	-48.1	171.7	-78.6	-175.3	170.3	-158.8	0	112.5	I336 V339 I384 R385 Y386 L390 L391 N392	I336-K388 HydrophobicContact CG2-CB 4.47Å; I336-K388 HydrophobicContact CG2-CD 4.5Å; I336-K388 HydrophobicContact CG2-CG 3.44Å; I336-K388 VanDerWaalsContact CG2-CG 3.44Å; I336-K388 WeakPolarHBondContact O-CE 3.33Å; V339-K388 WeakPolarHBondContact O-CE 3.3Å; V339-K388 PolarHBondContact O-NZ 3.35Å; I384-K388 WeakPolarHBondContact O-CG 3.12Å; I384-K388 PolarHBondContact O-N 3.35Å; R385-K388 CarbonylContact O-C 3.6Å; R385-K388 WeakPolarHBondContact O-CA 3.41Å; R385-K388 WeakPolarHBondContact O-CB 3.45Å; R385-K388 PolarHBondContact O-N 3.45Å; Y386-K388 VanDerWaalsContact C-N 3.33Å; Y386-K388 PolarHBondContact O-N 3.06Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.46Å; K388-L391 CarbonylContact O-C 3.58Å; K388-L391 VanDerWaalsContact O-C 3.3Å; K388-L391 WeakPolarHBondContact O-CA 3.37Å; K388-L391 WeakPolarHBondContact O-CB 3.4Å; K388-L391 PolarHBondContact O-N 3.47Å; K388-N392 WeakPolarHBondContact O-CB 3.43Å; K388-N392 PolarHBondContact O-N 2.84Å; K388-N392 PolarHBondContact O-ND2 3.47Å; K388-N392 VanDerWaalsContact O-ND2 3.17Å; K388-N392 PolarHBondContact O-OD1 3.22Å
389	D	70	Confident	64.5	Low	81 Å²	81	69.1 Å²	69.1	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-44.6	-176.9	-58.1	-31.1	0	0	0	109.8	R385 Y386 L391 N392 E393	R385-D389 PolarHBondContact O-N 3.25Å; R385-D389 VanDerWaalsContact O-OD2 3.07Å; Y386-D389 PolarHBondContact O-N 3.42Å; D389-L391 PolarHBondContact O-N 3.1Å; D389-N392 WeakPolarHBondContact O-CA 3.45Å; D389-N392 WeakPolarHBondContact O-CB 3.43Å; D389-N392 PolarHBondContact O-N 2.9Å; D389-E393 PolarHBondContact O-N 2.99Å
390	L	65.2	Low	62.2	Low	46 Å²	46	70.3 Å²	70.3	24%	0.241	38%	0.378	C	S	.	.	H	α-helix	trans	-66.3	-15.5	173.3	-169.3	56	0	0	0	114	L273 Y386 K388	L273-L390 HydrophobicContact CD1-CD2 4.39Å; L273-L390 HydrophobicContact CD1-CG 4.3Å; L273-L390 HydrophobicContact CD2-CD2 3.5Å; L273-L390 VanDerWaalsContact CD2-CD2 3.5Å; L273-L390 HydrophobicContact CD2-CG 4.02Å; L273-L390 HydrophobicContact CG-CD2 3.83Å; L273-L390 HydrophobicContact CG-CG 4.28Å; Y386-L390 HydrophobicContact CD1-CD2 4.38Å; Y386-L390 HydrophobicContact CE1-CD2 3.73Å; Y386-L390 WeakPolarHBondContact O-CB 3.35Å; Y386-L390 PolarHBondContact O-N 3.42Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.46Å
391	L	64.7	Low	59.7	Low	11 Å²	11	76.5 Å²	76.5	6%	0.058	40%	0.402	C	S	.	.	H	α-helix	trans	-100.9	-3.6	169.9	-70.3	170.2	0	0	0	113.3	P308 I336 R337 A387 K388 D389	P308-L391 HydrophobicContact CB-CD1 3.98Å; P308-L391 HydrophobicContact CB-CD2 4.07Å; I336-L391 HydrophobicContact CB-CD1 4.01Å; I336-L391 HydrophobicContact CG2-CD1 4.18Å; R337-L391 HydrophobicContact CG-CB 4.09Å; R337-L391 HydrophobicContact CG-CD1 4.21Å; R337-L391 PolarHBondContact NE-O 3.44Å; R337-L391 VanDerWaalsContact NE-O 3.15Å; R337-L391 PolarHBondContact NH2-O 3.47Å; A387-L391 WeakPolarHBondContact O-CB 3.45Å; A387-L391 WeakPolarHBondContact O-CD1 3.42Å; A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 3.24Å; K388-L391 CarbonylContact O-C 3.58Å; K388-L391 VanDerWaalsContact O-C 3.3Å; K388-L391 WeakPolarHBondContact O-CA 3.37Å; K388-L391 WeakPolarHBondContact O-CB 3.4Å; K388-L391 PolarHBondContact O-N 3.47Å; D389-L391 PolarHBondContact O-N 3.1Å
392	N	63.3	Low	57.5	Low	106 Å²	106	77.4 Å²	77.4	57%	0.567	41%	0.414	S	S	*	.	H	α-helix	trans	-101.3	-31.3	176.5	-69.1	-28	0	0	0	111.4	K388 D389 D394	K388-N392 WeakPolarHBondContact O-CB 3.43Å; K388-N392 PolarHBondContact O-N 2.84Å; K388-N392 PolarHBondContact O-ND2 3.47Å; K388-N392 VanDerWaalsContact O-ND2 3.17Å; K388-N392 PolarHBondContact O-OD1 3.22Å; D389-N392 WeakPolarHBondContact O-CA 3.45Å; D389-N392 WeakPolarHBondContact O-CB 3.43Å; D389-N392 PolarHBondContact O-N 2.9Å; N392-D394 PolarHBondContact O-N 2.82Å
393	E	55.4	Low	55.5	Low	170 Å²	170	83.5 Å²	83.5	79%	0.794	44%	0.44	S	S	*	.	S	Bend	trans	-66.8	-10.1	169.4	-64.4	-155	146.5	0	0	113	D389 H395	D389-E393 PolarHBondContact O-N 2.99Å; E393-H395 PolarHBondContact O-N 3.5Å
394	D	48.1	Very low	53.2	Low	55 Å²	55	89.1 Å²	89.1	29%	0.294	47%	0.474	S	S	.	.			trans	-67.7	72.7	172	-108.4	-11	0	0	0	112	R337 N392 G396	R337-D394 IonicContact CZ-OD2 2.69Å; R337-D394 IonicContact NH1-OD2 2.7Å; R337-D394 IonicContact NH2-OD2 3.89Å; R337-D394 PolarHBondContact NH2-OD2 3.48Å; N392-D394 PolarHBondContact O-N 2.82Å; D394-G396 PolarHBondContact O-N 2.96Å
395	H	41.2	Very low	50.7	Low	182 Å²	182	96 Å²	96	84%	0.843	50%	0.499	S	S	*	.	S	Bend	trans	-69.8	63.8	153.9	-84.1	29.4	0	0	0	110.5	E393	E393-H395 PolarHBondContact O-N 3.5Å
396	G	34.3	Very low	48.5	Very low	31 Å²	31	98.7 Å²	98.7	32%	0.32	51%	0.511	S	S	.	.	S	Bend	trans	98.1	59	158.2	0	0	0	0	0	118.5	D394 V409	D394-G396 PolarHBondContact O-N 2.96Å; G396-V409 VanDerWaalsContact O-CG1 3.27Å; G396-V409 WeakPolarHBondContact O-CG1 3.19Å
397	V	35.7	Very low	46.3	Very low	89 Å²	89	100 Å²	100	54%	0.539	53%	0.526	S	S	.	.			trans	-128.8	121.7	157.9	-172.7	0	0	0	0	111.6	L399	V397-L399 PolarHBondContact O-N 2.82Å
398	T	34	Very low	44.1	Very low	103 Å²	103	105 Å²	105	63%	0.632	56%	0.56	S	S	*	*			trans	-88.6	87.9	-171.5	-55.2	0	0	0	0	112.6	G400 R401	T398-G400 PolarHBondContact O-N 3.28Å; T398-R401 HydrophobicContact CG2-CB 3.99Å
399	L	35.7	Very low	42.3	Very low	114 Å²	114	107.3 Å²	107.3	60%	0.597	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	111.6	162.8	-88	165.4	0	0	0	110.2	V397	V397-L399 PolarHBondContact O-N 2.82Å
400	G	34.1	Very low	40.7	Very low	70 Å²	70	110.1 Å²	110.1	72%	0.722	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.5	-7.6	166.3	0	0	0	0	0	117.5	T398	T398-G400 PolarHBondContact O-N 3.28Å
401	R	33.8	Very low	39.7	Very low	132 Å²	132	111.8 Å²	111.8	50%	0.498	60%	0.603	S	S	.	*			trans	-109.7	4.3	179.1	-132.2	178.7	-168.9	163	9.1	117.3	T398 T404 R405	T398-R401 HydrophobicContact CG2-CB 3.99Å; R401-T404 PolarHBondContact O-N 2.71Å; R401-R405 HydrophobicContact CG-CB 3.98Å; R401-R405 CarbonylContact O-C 3.6Å; R401-R405 WeakPolarHBondContact O-CA 3.42Å; R401-R405 PolarHBondContact O-N 2.98Å
402	S	38	Very low	38.9	Very low	67 Å²	67	116.3 Å²	116.3	47%	0.469	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	95.6	140.8	-168.4	0	0	0	0	105.5	Y406	S402-Y406 WeakPolarHBondContact OG-CE2 3.33Å
403	L	39	Very low	38.2	Very low	166 Å²	166	118.1 Å²	118.1	87%	0.869	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn		-96.2	-19.9	84.9	-64.2	167.4	0	0	0	117.7
404	T	33	Very low	38.3	Very low	126 Å²	126	113.9 Å²	113.9	77%	0.773	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.2	7.8	-167.7	54.5	0	0	0	0	117.5	R401	R401-T404 PolarHBondContact O-N 2.71Å
405	R	31.9	Very low	39.1	Very low	151 Å²	151	114.4 Å²	114.4	57%	0.57	63%	0.627	S	S	*	*			trans	-149.5	67.8	-178.3	-154.7	175.2	-61.1	-163	-2.3	113.2	R401 D407	R401-R405 HydrophobicContact CG-CB 3.98Å; R401-R405 CarbonylContact O-C 3.6Å; R401-R405 WeakPolarHBondContact O-CA 3.42Å; R401-R405 PolarHBondContact O-N 2.98Å; R405-D407 PolarHBondContact O-N 2.86Å
406	Y	33.4	Very low	40.5	Very low	199 Å²	199	112.1 Å²	112.1	78%	0.78	62%	0.615	S	S	*	*			trans	-65.9	109.7	157.4	-89.2	-81.4	0	0	0	109	S402	S402-Y406 WeakPolarHBondContact OG-CE2 3.33Å
407	D	27.6	Very low	42.7	Very low	141 Å²	141	117.6 Å²	117.6	75%	0.754	63%	0.63	S	S	*	*			trans	-153.6	130.1	159.1	-116.1	-40.4	0	0	0	113.5	R405 V409	R405-D407 PolarHBondContact O-N 2.86Å; D407-V409 PolarHBondContact O-N 3.36Å
408	S	30.8	Very low	44.9	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	62%	0.624	S	S	*	*			trans	30.4	71	161.2	56.7	0	0	0	0	121.6
409	V	39.2	Very low	47.3	Very low	101 Å²	101	115 Å²	115	61%	0.612	61%	0.608	S	S	*	*			trans	-130.1	129.5	139.6	-170.8	0	0	0	0	109.1	G396 D407	G396-V409 VanDerWaalsContact O-CG1 3.27Å; G396-V409 WeakPolarHBondContact O-CG1 3.19Å; D407-V409 PolarHBondContact O-N 3.36Å
410	Q	36.9	Very low	49.6	Very low	140 Å²	140	111.5 Å²	111.5	65%	0.654	60%	0.596	S	S	*	*			trans	-80	147	-179	-69.3	-91.6	-52.2	0	0	110.7	S412	Q410-S412 PolarHBondContact O-N 3.02Å
411	P	43.2	Very low	52.2	Low	81 Å²	81	115.3 Å²	115.3	53%	0.526	59%	0.593	S	S	.	*			trans	-55.4	130	168.5	-22.7	33.1	0	0	0	110.9	M413	P411-M413 PolarHBondContact O-N 3.13Å
412	S	47.6	Very low	54.9	Low	105 Å²	105	112.5 Å²	112.5	73%	0.734	59%	0.587	S	S	*	*	S	Bend	trans	-71.4	71.3	-174.6	42.1	0	0	0	0	112.7	Q410 L414	Q410-S412 PolarHBondContact O-N 3.02Å; S412-L414 VanDerWaalsContact C-N 3.26Å; S412-L414 PolarHBondContact O-N 3.14Å
413	M	49.9	Very low	57.3	Low	144 Å²	144	117.5 Å²	117.5	71%	0.709	60%	0.596	S	S	*	*			trans	52.5	37	176.1	-67.1	-66.6	-75.6	0	0	115	P411 D415	P411-M413 PolarHBondContact O-N 3.13Å; M413-D415 PolarHBondContact O-N 3.21Å
414	L	56.5	Low	59.8	Low	82 Å²	82	113.2 Å²	113.2	43%	0.429	57%	0.573	S	S	.	*	S	Bend	trans	-58.5	98.5	147.9	-151.1	171.6	0	0	0	105.5	S412 K416 L418 L419	S412-L414 VanDerWaalsContact C-N 3.26Å; S412-L414 PolarHBondContact O-N 3.14Å; L414-K416 PolarHBondContact O-N 3.5Å; L414-L418 HydrophobicContact CD2-CD2 3.88Å; L414-L418 HydrophobicContact CD2-CG 4.27Å; L414-L419 HydrophobicContact CD2-CD2 3.92Å; L414-L419 HydrophobicContact CD2-CG 3.9Å; L414-L419 WeakPolarHBondContact O-CD1 3.44Å
415	D	65	Low	62.6	Low	65 Å²	65	111.9 Å²	111.9	35%	0.348	56%	0.557	S	S	.	*			trans	-46.1	128.3	-154.2	-179.4	-0.5	0	0	0	111	M413 K417 L418 L419	M413-D415 PolarHBondContact O-N 3.21Å; D415-K417 PolarHBondContact O-N 3Å; D415-K417 WeakPolarHBondContact OD1-CB 3.28Å; D415-K417 WeakPolarHBondContact OD1-CG 3.31Å; D415-K417 PolarHBondContact OD1-N 3.22Å; D415-K417 WeakPolarHBondContact OD2-CB 3.32Å; D415-L418 HydrophobicContact CB-CB 4Å; D415-L418 CarbonylContact O-C 3.58Å; D415-L418 WeakPolarHBondContact O-CA 3.25Å; D415-L418 WeakPolarHBondContact O-CB 3.14Å; D415-L418 PolarHBondContact O-N 3.44Å; D415-L419 PolarHBondContact O-N 2.93Å
416	K	71.9	Confident	65.4	Low	135 Å²	135	111.2 Å²	111.2	59%	0.587	56%	0.559	S	S	*	*	H	α-helix	trans	-55.8	-26.9	178.4	-65.8	-176.6	177.2	-177.4	0	111	L414 A420	L414-K416 PolarHBondContact O-N 3.5Å; K416-A420 VanDerWaalsContact O-CB 3.28Å; K416-A420 WeakPolarHBondContact O-CB 3.43Å; K416-A420 PolarHBondContact O-N 3.38Å
417	K	80	Confident	68.1	Low	146 Å²	146	111.1 Å²	111.1	64%	0.635	56%	0.557	S	S	*	*	H	α-helix	trans	-72	-36.7	169.9	-52.1	168.9	-170.5	167.3	0	113.2	D415 K421	D415-K417 PolarHBondContact O-N 3Å; D415-K417 WeakPolarHBondContact OD1-CB 3.28Å; D415-K417 WeakPolarHBondContact OD1-CG 3.31Å; D415-K417 PolarHBondContact OD1-N 3.22Å; D415-K417 WeakPolarHBondContact OD2-CB 3.32Å; K417-K421 VanDerWaalsContact O-CB 3.29Å; K417-K421 WeakPolarHBondContact O-CB 3.45Å; K417-K421 WeakPolarHBondContact O-CG 3.41Å; K417-K421 PolarHBondContact O-N 3.29Å
418	L	82.4	Confident	71.2	Confident	81 Å²	81	109.5 Å²	109.5	42%	0.424	55%	0.552	S	S	.	*	H	α-helix	trans	-71.1	-42.6	174.5	179.8	60.3	0	0	0	111.4	L414 D415 A420 K421 L422	L414-L418 HydrophobicContact CD2-CD2 3.88Å; L414-L418 HydrophobicContact CD2-CG 4.27Å; D415-L418 HydrophobicContact CB-CB 4Å; D415-L418 CarbonylContact O-C 3.58Å; D415-L418 WeakPolarHBondContact O-CA 3.25Å; D415-L418 WeakPolarHBondContact O-CB 3.14Å; D415-L418 PolarHBondContact O-N 3.44Å; L418-A420 VanDerWaalsContact C-N 3.35Å; L418-K421 PolarHBondContact O-N 2.78Å; L418-L422 HydrophobicContact CD1-CD1 4.24Å; L418-L422 HydrophobicContact CD1-CG 4.23Å; L418-L422 HydrophobicContact CG-CD1 4.18Å; L418-L422 WeakPolarHBondContact O-CB 3.12Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.46Å
419	L	83	Confident	74.1	Confident	55 Å²	55	111.5 Å²	111.5	29%	0.288	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-38.7	173.4	-74.2	174.6	0	0	0	112.2	L414 D415 R423	L414-L419 HydrophobicContact CD2-CD2 3.92Å; L414-L419 HydrophobicContact CD2-CG 3.9Å; L414-L419 WeakPolarHBondContact O-CD1 3.44Å; D415-L419 PolarHBondContact O-N 2.93Å; L419-R423 WeakPolarHBondContact O-CB 3.28Å; L419-R423 VanDerWaalsContact O-CG 3.29Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.46Å
420	A	85.3	Confident	76.6	Confident	41 Å²	41	109 Å²	109	34%	0.339	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-55.7	169.7	0	0	0	0	0	110.8	K416 L418 L422 R423 D424	K416-A420 VanDerWaalsContact O-CB 3.28Å; K416-A420 WeakPolarHBondContact O-CB 3.43Å; K416-A420 PolarHBondContact O-N 3.38Å; L418-A420 VanDerWaalsContact C-N 3.35Å; A420-L422 VanDerWaalsContact C-N 3.26Å; A420-L422 PolarHBondContact O-N 3.36Å; A420-L422 VanDerWaalsContact O-N 3.17Å; A420-R423 PolarHBondContact O-N 2.9Å; A420-D424 WeakPolarHBondContact O-CB 3.15Å; A420-D424 VanDerWaalsContact O-CG 3.3Å; A420-D424 PolarHBondContact O-N 2.95Å
421	K	88.8	Confident	79.3	Confident	151 Å²	151	105.8 Å²	105.8	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-52.8	-38.6	177.3	-79.1	173.8	178.7	-174.6	0	113.6	K417 L418 F425	K417-K421 VanDerWaalsContact O-CB 3.29Å; K417-K421 WeakPolarHBondContact O-CB 3.45Å; K417-K421 WeakPolarHBondContact O-CG 3.41Å; K417-K421 PolarHBondContact O-N 3.29Å; L418-K421 PolarHBondContact O-N 2.78Å; K421-F425 WeakPolarHBondContact O-CA 3.48Å; K421-F425 WeakPolarHBondContact O-CB 3.45Å; K421-F425 PolarHBondContact O-N 3.06Å
422	L	89.1	Confident	81.4	Confident	73 Å²	73	104.6 Å²	104.6	38%	0.382	52%	0.518	S	S	.	.	H	α-helix	trans	-73.5	-41.7	177.5	-75.1	172.4	0	0	0	112.3	L418 A420 D424 F425 F426	L418-L422 HydrophobicContact CD1-CD1 4.24Å; L418-L422 HydrophobicContact CD1-CG 4.23Å; L418-L422 HydrophobicContact CG-CD1 4.18Å; L418-L422 WeakPolarHBondContact O-CB 3.12Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.46Å; A420-L422 VanDerWaalsContact C-N 3.26Å; A420-L422 PolarHBondContact O-N 3.36Å; A420-L422 VanDerWaalsContact O-N 3.17Å; L422-D424 VanDerWaalsContact C-N 3.35Å; L422-F425 PolarHBondContact O-N 3.37Å; L422-F426 WeakPolarHBondContact O-CD2 3.46Å; L422-F426 PolarHBondContact O-N 3.16Å
423	R	88.5	Confident	83.3	Confident	172 Å²	172	102.8 Å²	102.8	65%	0.649	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-43.2	174.3	-75.4	172.1	173.4	-180	-2.5	111.5	L419 A420 F426 R427	L419-R423 WeakPolarHBondContact O-CB 3.28Å; L419-R423 VanDerWaalsContact O-CG 3.29Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.46Å; A420-R423 PolarHBondContact O-N 2.9Å; R423-F426 PolarHBondContact O-N 2.9Å; R423-R427 WeakPolarHBondContact O-CB 3.43Å; R423-R427 WeakPolarHBondContact O-CD 3.44Å; R423-R427 VanDerWaalsContact O-CG 3.24Å; R423-R427 WeakPolarHBondContact O-CG 3.47Å; R423-R427 PolarHBondContact O-N 3.05Å
424	D	91.4	Very high	85.3	Confident	75 Å²	75	98 Å²	98	40%	0.401	49%	0.49	S	S	.	.	H	α-helix	trans	-72.3	-37.3	178.6	-61.4	-27.3	0	0	0	110.9	A420 L422 R427 T428	A420-D424 WeakPolarHBondContact O-CB 3.15Å; A420-D424 VanDerWaalsContact O-CG 3.3Å; A420-D424 PolarHBondContact O-N 2.95Å; L422-D424 VanDerWaalsContact C-N 3.35Å; D424-R427 PolarHBondContact O-N 2.68Å; D424-R427 IonicContact OD1-NH1 2.86Å; D424-R427 PolarHBondContact OD1-NH1 2.99Å; D424-T428 WeakPolarHBondContact O-CB 3.16Å; D424-T428 WeakPolarHBondContact O-CG2 3.29Å; D424-T428 PolarHBondContact O-N 2.85Å; D424-T428 PolarHBondContact O-OG1 3.09Å
425	F	92.7	Very high	87	Confident	99 Å²	99	96.3 Å²	96.3	43%	0.434	48%	0.482	S	S	.	.	H	α-helix	trans	-57.7	-51.3	168.9	170.5	-101.1	0	0	0	111.6	K421 L422 R427 T428 R429	K421-F425 WeakPolarHBondContact O-CA 3.48Å; K421-F425 WeakPolarHBondContact O-CB 3.45Å; K421-F425 PolarHBondContact O-N 3.06Å; L422-F425 PolarHBondContact O-N 3.37Å; F425-R427 VanDerWaalsContact C-N 3.26Å; F425-R427 PolarHBondContact O-N 2.81Å; F425-T428 CarbonylContact O-C 3.55Å; F425-T428 PolarHBondContact O-N 3.35Å; F425-R429 HydrophobicContact CZ-CG 4.2Å; F425-R429 VanDerWaalsContact O-CA 3.3Å; F425-R429 WeakPolarHBondContact O-CA 3.36Å; F425-R429 VanDerWaalsContact O-CB 3.25Å; F425-R429 WeakPolarHBondContact O-CB 3.49Å; F425-R429 PolarHBondContact O-N 3.15Å
426	F	90.9	Very high	88.1	Confident	136 Å²	136	98.9 Å²	98.9	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-28	-179.1	-76.1	-62.2	0	0	0	113.2	L422 R423	L422-F426 WeakPolarHBondContact O-CD2 3.46Å; L422-F426 PolarHBondContact O-N 3.16Å; R423-F426 PolarHBondContact O-N 2.9Å
427	R	90	Very high	88.8	Confident	198 Å²	198	97.4 Å²	97.4	75%	0.747	49%	0.493	S	S	*	.	H	α-helix	trans	-74.8	-36.9	171.7	-73.3	165.5	170.8	172.5	-8.4	113.9	R423 D424 F425	R423-R427 WeakPolarHBondContact O-CB 3.43Å; R423-R427 WeakPolarHBondContact O-CD 3.44Å; R423-R427 VanDerWaalsContact O-CG 3.24Å; R423-R427 WeakPolarHBondContact O-CG 3.47Å; R423-R427 PolarHBondContact O-N 3.05Å; D424-R427 PolarHBondContact O-N 2.68Å; D424-R427 IonicContact OD1-NH1 2.86Å; D424-R427 PolarHBondContact OD1-NH1 2.99Å; F425-R427 VanDerWaalsContact C-N 3.26Å; F425-R427 PolarHBondContact O-N 2.81Å
428	T	92.4	Very high	89.4	Confident	106 Å²	106	98 Å²	98	65%	0.65	49%	0.492	S	S	*	.	H	α-helix	trans	-99.5	3.4	-176.3	59.6	0	0	0	0	113.1	D424 F425 P430	D424-T428 WeakPolarHBondContact O-CB 3.16Å; D424-T428 WeakPolarHBondContact O-CG2 3.29Å; D424-T428 PolarHBondContact O-N 2.85Å; D424-T428 PolarHBondContact O-OG1 3.09Å; F425-T428 CarbonylContact O-C 3.55Å; F425-T428 PolarHBondContact O-N 3.35Å; T428-P430 VanDerWaalsContact O-CD 3.25Å; T428-P430 WeakPolarHBondContact O-CD 3.4Å; T428-P430 VanDerWaalsContact O-N 3.15Å
429	R	92.4	Very high	89.6	Confident	155 Å²	155	96.1 Å²	96.1	59%	0.585	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-57.9	116.5	-174.1	-175.5	178.3	178.1	-166	-0.1	109.6	F425 S431	F425-R429 HydrophobicContact CZ-CG 4.2Å; F425-R429 VanDerWaalsContact O-CA 3.3Å; F425-R429 WeakPolarHBondContact O-CA 3.36Å; F425-R429 VanDerWaalsContact O-CB 3.25Å; F425-R429 WeakPolarHBondContact O-CB 3.49Å; F425-R429 PolarHBondContact O-N 3.15Å; R429-S431 PolarHBondContact O-N 3.26Å
430	P	91.2	Very high	89.8	Confident	49 Å²	49	98.5 Å²	98.5	32%	0.318	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-57.7	136.5	175.5	-24.7	35.1	0	0	0	110.6	T428 L435	T428-P430 VanDerWaalsContact O-CD 3.25Å; T428-P430 WeakPolarHBondContact O-CD 3.4Å; T428-P430 VanDerWaalsContact O-N 3.15Å; P430-L435 HydrophobicContact CB-CD2 4.01Å; P430-L435 HydrophobicContact CB-CG 4.13Å; P430-L435 HydrophobicContact CG-CD2 4.46Å
431	S	92.6	Very high	89.8	Confident	72 Å²	72	99.9 Å²	99.9	50%	0.503	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-60.4	157.6	175.5	68.7	0	0	0	0	110.9	R429 A433 S434 L435	R429-S431 PolarHBondContact O-N 3.26Å; S431-A433 PolarHBondContact O-N 3.12Å; S431-S434 WeakPolarHBondContact O-CB 3.41Å; S431-S434 PolarHBondContact O-N 3.22Å; S431-S434 WeakPolarHBondContact OG-CB 3.37Å; S431-S434 PolarHBondContact OG-N 3.28Å; S431-S434 VanDerWaalsContact OG-N 3.09Å; S431-L435 PolarHBondContact O-N 2.96Å
432	A	88.5	Confident	89.4	Confident	57 Å²	57	100.6 Å²	100.6	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-57	-34.5	175.2	0	0	0	0	0	111.7	L435 R436 L441	A432-L435 PolarHBondContact O-N 3.42Å; A432-R436 WeakPolarHBondContact O-CG 3.48Å; A432-R436 PolarHBondContact O-N 3.28Å; A432-L441 HydrophobicContact CB-CD2 4.18Å
433	A	87.8	Confident	89.1	Confident	67 Å²	67	100.5 Å²	100.5	55%	0.554	51%	0.508	S	S	*	.	H	α-helix	trans	-63.7	-44.4	172.6	0	0	0	0	0	112.6	S431 L435 R436 S437	S431-A433 PolarHBondContact O-N 3.12Å; A433-L435 VanDerWaalsContact C-N 3.3Å; A433-L435 PolarHBondContact O-N 3.32Å; A433-R436 WeakPolarHBondContact O-CB 3.45Å; A433-R436 PolarHBondContact O-N 3.11Å; A433-R436 VanDerWaalsContact O-N 3.12Å; A433-S437 PolarHBondContact O-N 2.95Å; A433-S437 PolarHBondContact O-OG 2.91Å
434	S	90.8	Very high	89	Confident	43 Å²	43	95.9 Å²	95.9	30%	0.301	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-34.5	174.6	-177.5	0	0	0	0	112.6	S431 S437 R438	S431-S434 WeakPolarHBondContact O-CB 3.41Å; S431-S434 PolarHBondContact O-N 3.22Å; S431-S434 WeakPolarHBondContact OG-CB 3.37Å; S431-S434 PolarHBondContact OG-N 3.28Å; S431-S434 VanDerWaalsContact OG-N 3.09Å; S434-S437 PolarHBondContact O-OG 3.5Å; S434-R438 WeakPolarHBondContact O-CB 3.17Å; S434-R438 VanDerWaalsContact O-CG 3.23Å; S434-R438 WeakPolarHBondContact O-CG 3.3Å; S434-R438 PolarHBondContact O-N 3.02Å; S434-R438 VanDerWaalsContact O-N 3.15Å
435	L	92.8	Very high	88.9	Confident	47 Å²	47	93.7 Å²	93.7	25%	0.246	48%	0.484	C	S	.	.	H	α-helix	trans	-72.6	-30.6	173.5	-65.2	176	0	0	0	112.7	P430 S431 A432 A433 G439 I440 L441	P430-L435 HydrophobicContact CB-CD2 4.01Å; P430-L435 HydrophobicContact CB-CG 4.13Å; P430-L435 HydrophobicContact CG-CD2 4.46Å; S431-L435 PolarHBondContact O-N 2.96Å; A432-L435 PolarHBondContact O-N 3.42Å; A433-L435 VanDerWaalsContact C-N 3.3Å; A433-L435 PolarHBondContact O-N 3.32Å; L435-G439 PolarHBondContact O-N 2.92Å; L435-I440 HydrophobicContact CD2-CB 4.39Å; L435-I440 HydrophobicContact CD2-CD1 4.06Å; L435-I440 HydrophobicContact CD2-CG2 4.35Å; L435-I440 PolarHBondContact O-N 2.92Å; L435-L441 HydrophobicContact CB-CB 3.73Å; L435-L441 PolarHBondContact O-N 3.24Å
436	R	87.3	Confident	89.1	Confident	118 Å²	118	89 Å²	89	45%	0.445	46%	0.463	S	S	.	.	H	α-helix	trans	-69.9	-49.1	172	-72.1	-179.3	-164	-69	-5.1	111.8	A432 A433 R438 G439 L441 N443	A432-R436 WeakPolarHBondContact O-CG 3.48Å; A432-R436 PolarHBondContact O-N 3.28Å; A433-R436 WeakPolarHBondContact O-CB 3.45Å; A433-R436 PolarHBondContact O-N 3.11Å; A433-R436 VanDerWaalsContact O-N 3.12Å; R436-R438 PolarHBondContact O-N 3.43Å; R436-G439 WeakPolarHBondContact O-CA 3.35Å; R436-G439 PolarHBondContact O-N 3.33Å; R436-L441 WeakPolarHBondContact CA-O 3.47Å; R436-L441 HydrophobicContact CG-CB 4.3Å; R436-L441 HydrophobicContact CG-CD2 4.22Å; R436-L441 HydrophobicContact CG-CG 4.19Å; R436-L441 VanDerWaalsContact CG-O 3.31Å; R436-L441 WeakPolarHBondContact CG-O 3.42Å; R436-N443 PolarHBondContact NH1-OD1 2.84Å
437	S	87.8	Confident	89.3	Confident	104 Å²	104	82.5 Å²	82.5	73%	0.727	44%	0.435	S	S	*	.	H	α-helix	trans	-64.8	-28.3	179.7	63.5	0	0	0	0	113	A433 S434 G439	A433-S437 PolarHBondContact O-N 2.95Å; A433-S437 PolarHBondContact O-OG 2.91Å; S434-S437 PolarHBondContact O-OG 3.5Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 2.84Å
438	R	91.7	Very high	89.6	Confident	160 Å²	160	74.7 Å²	74.7	60%	0.604	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	1.4	170.3	-68.6	177.5	63.5	-179.4	0.3	114.6	S434 R436 I440	S434-R438 WeakPolarHBondContact O-CB 3.17Å; S434-R438 VanDerWaalsContact O-CG 3.23Å; S434-R438 WeakPolarHBondContact O-CG 3.3Å; S434-R438 PolarHBondContact O-N 3.02Å; S434-R438 VanDerWaalsContact O-N 3.15Å; R436-R438 PolarHBondContact O-N 3.43Å; R438-I440 HydrophobicContact CB-CD1 3.95Å; R438-I440 HydrophobicContact CB-CG1 4.14Å; R438-I440 PolarHBondContact O-N 3.48Å; R438-I440 VanDerWaalsContact O-N 3.16Å
439	G	86.6	Confident	89.7	Confident	41 Å²	41	69.8 Å²	69.8	42%	0.423	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	8.1	-179.3	0	0	0	0	0	115.7	L435 R436 S437	L435-G439 PolarHBondContact O-N 2.92Å; R436-G439 WeakPolarHBondContact O-CA 3.35Å; R436-G439 PolarHBondContact O-N 3.33Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 2.84Å
440	I	88	Confident	89.9	Confident	105 Å²	105	63.6 Å²	63.6	54%	0.538	36%	0.362	S	S	.	.	S	Bend	trans	-77.9	-50.1	-178.7	-62.3	167.1	0	0	0	109.9	L435 R438 K442	L435-I440 HydrophobicContact CD2-CB 4.39Å; L435-I440 HydrophobicContact CD2-CD1 4.06Å; L435-I440 HydrophobicContact CD2-CG2 4.35Å; L435-I440 PolarHBondContact O-N 2.92Å; R438-I440 HydrophobicContact CB-CD1 3.95Å; R438-I440 HydrophobicContact CB-CG1 4.14Å; R438-I440 PolarHBondContact O-N 3.48Å; R438-I440 VanDerWaalsContact O-N 3.16Å; I440-K442 PolarHBondContact O-N 3.31Å
441	L	84	Confident	90.2	Very high	69 Å²	69	61.2 Å²	61.2	36%	0.361	35%	0.347	S	S	.	.	S	Bend	trans	-94	92.8	171.9	179.3	61.2	0	0	0	108.1	A432 L435 R436	A432-L441 HydrophobicContact CB-CD2 4.18Å; L435-L441 HydrophobicContact CB-CB 3.73Å; L435-L441 PolarHBondContact O-N 3.24Å; R436-L441 WeakPolarHBondContact CA-O 3.47Å; R436-L441 HydrophobicContact CG-CB 4.3Å; R436-L441 HydrophobicContact CG-CD2 4.22Å; R436-L441 HydrophobicContact CG-CG 4.19Å; R436-L441 VanDerWaalsContact CG-O 3.31Å; R436-L441 WeakPolarHBondContact CG-O 3.42Å
442	K	80.9	Confident	90.4	Very high	166 Å²	166	60.3 Å²	60.3	72%	0.722	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-70.6	157.9	175.1	-61.4	-172.4	178.4	-173.9	0	110.6	I440	I440-K442 PolarHBondContact O-N 3.31Å
443	N	81.8	Confident	90.7	Very high	72 Å²	72	60.6 Å²	60.6	39%	0.385	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-66.1	151	159.9	-71.4	-4.3	0	0	0	108.5	R436 Q453 K529	R436-N443 PolarHBondContact NH1-OD1 2.84Å; N443-Q453 PolarHBondContact ND2-OE1 3.24Å; N443-K529 PolarHBondContact ND2-NZ 2.83Å; N443-K529 VanDerWaalsContact ND2-NZ 3.15Å
444	E	87.5	Confident	91.1	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.7	151.7	161.4	-69.8	-162.5	156.6	0	0	109.4	F447 A448 R497 N501	E444-F447 WeakPolarHBondContact CB-O 3.47Å; E444-A448 HydrophobicContact CB-CB 4.25Å; E444-A448 HydrophobicContact CG-CB 4.44Å; E444-A448 WeakPolarHBondContact OE2-CB 3.15Å; E444-R497 VanDerWaalsContact CD-NH1 3.29Å; E444-R497 IonicContact OE1-CZ 3.13Å; E444-R497 IonicContact OE1-NH1 3.98Å; E444-R497 PolarHBondContact OE1-NH1 3.11Å; E444-R497 IonicContact OE1-NH2 2.75Å; E444-R497 IonicContact OE2-CZ 3.95Å; E444-R497 IonicContact OE2-NH1 2.74Å; E444-R497 PolarHBondContact OE2-NH1 3.39Å; E444-R497 IonicContact OE2-NH2 2.7Å; E444-R497 PolarHBondContact OE2-NH2 3.17Å; E444-N501 PolarHBondContact OE1-ND2 2.94Å; E444-N501 PolarHBondContact OE2-ND2 3.01Å
445	S	89.9	Confident	91.4	Very high	29 Å²	29	55.8 Å²	55.8	20%	0.203	29%	0.29	C	S	.	.	S	Bend	trans	-80.3	-40.8	-169.5	38.8	0	0	0	0	113.6	N501	S445-N501 VanDerWaalsContact OG-CA 3.31Å; S445-N501 WeakPolarHBondContact OG-CA 3.3Å; S445-N501 PolarHBondContact OG-O 3.41Å
446	V	95.7	Very high	91.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-125.7	-67.2	-172.3	-174.6	0	0	0	0	111	I454 F465 V500 N501 Y503 F524	V446-I454 HydrophobicContact CG1-CG2 4.41Å; V446-I454 WeakPolarHBondContact O-CD1 3.1Å; V446-F465 HydrophobicContact CG1-CB 4.14Å; V446-V500 HydrophobicContact CB-CG1 3.93Å; V446-V500 HydrophobicContact CG1-CG1 3.63Å; V446-V500 HydrophobicContact CG2-CG1 4.22Å; V446-N501 PolarHBondContact N-OD1 3.16Å; V446-Y503 HydrophobicContact CG2-CD1 4.39Å; V446-Y503 HydrophobicContact CG2-CE1 3.62Å; V446-F524 HydrophobicContact CG1-CD2 4.26Å; V446-F524 HydrophobicContact CG1-CE2 3.81Å
447	F	96.6	Very high	91.8	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	158.3	167.8	-72.8	-103	0	0	0	110.2	E444 S449 F465 R497 V500 N501 L523 F524 E527	E444-F447 WeakPolarHBondContact CB-O 3.47Å; F447-S449 PolarHBondContact O-N 3.08Å; F447-S449 VanDerWaalsContact O-N 3.16Å; F447-F465 HydrophobicContact CE2-CD1 4.38Å; F447-F465 HydrophobicContact CE2-CE1 4.2Å; F447-F465 HydrophobicContact CE2-CZ 4.33Å; F447-F465 HydrophobicContact CZ-CD1 4.41Å; F447-F465 AromaticContact CZ-CE1 3.82Å; F447-F465 HydrophobicContact CZ-CE1 3.82Å; F447-F465 AromaticContact CZ-CZ 3.94Å; F447-F465 HydrophobicContact CZ-CZ 3.94Å; F447-R497 HydrophobicContact CB-CG 4Å; F447-R497 HydrophobicContact CD1-CG 3.66Å; F447-R497 HydrophobicContact CD2-CB 4.48Å; F447-R497 HydrophobicContact CD2-CG 3.85Å; F447-R497 HydrophobicContact CE1-CB 4.41Å; F447-R497 HydrophobicContact CE1-CG 4.01Å; F447-R497 HydrophobicContact CE2-CB 4.4Å; F447-R497 HydrophobicContact CE2-CG 4.22Å; F447-R497 HydrophobicContact CG-CG 3.57Å; F447-R497 HydrophobicContact CZ-CB 4.36Å; F447-R497 HydrophobicContact CZ-CG 4.29Å; F447-V500 HydrophobicContact CD2-CB 4.24Å; F447-V500 HydrophobicContact CD2-CG1 4.07Å; F447-V500 HydrophobicContact CE2-CB 3.81Å; F447-V500 HydrophobicContact CE2-CG1 3.76Å; F447-V500 HydrophobicContact CE2-CG2 4.26Å; F447-N501 PolarHBondContact N-OD1 3.03Å; F447-L523 HydrophobicContact CD1-CG 4.33Å; F447-L523 HydrophobicContact CE1-CB 4.11Å; F447-L523 HydrophobicContact CE1-CD2 4.16Å; F447-L523 HydrophobicContact CE1-CG 4Å; F447-F524 HydrophobicContact CD1-CB 4.18Å; F447-F524 HydrophobicContact CD1-CD2 4.42Å; F447-F524 HydrophobicContact CD2-CD2 4.45Å; F447-F524 VanDerWaalsContact CE1-CA 3.41Å; F447-F524 HydrophobicContact CE1-CB 3.65Å; F447-F524 HydrophobicContact CE1-CD2 4.46Å; F447-F524 HydrophobicContact CE2-CD2 4.44Å; F447-F524 HydrophobicContact CG-CD2 4.43Å; F447-F524 HydrophobicContact CZ-CB 3.94Å; F447-F524 HydrophobicContact CZ-CD2 4.46Å; F447-E527 WeakPolarHBondContact CD1-OE2 3.28Å
448	A	95	Very high	92.1	Very high	34 Å²	34	56.6 Å²	56.6	28%	0.281	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	33.3	-178.1	0	0	0	0	0	115.3	E444 E527 K529	E444-A448 HydrophobicContact CB-CB 4.25Å; E444-A448 HydrophobicContact CG-CB 4.44Å; E444-A448 WeakPolarHBondContact OE2-CB 3.15Å; A448-E527 VanDerWaalsContact CA-O 3.28Å; A448-E527 WeakPolarHBondContact CA-O 3.48Å; A448-K529 WeakPolarHBondContact O-CE 3.37Å
449	S	95	Very high	92.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.014	30%	0.301	C	S	.	.	S	Bend	trans	-121.2	-175.6	177.9	-157.1	0	0	0	0	112	F447 L528 K529	F447-S449 PolarHBondContact O-N 3.08Å; F447-S449 VanDerWaalsContact O-N 3.16Å; S449-L528 WeakPolarHBondContact O-CA 3.45Å; S449-K529 PolarHBondContact O-N 3Å
450	T	96.3	Very high	92.6	Very high	25 Å²	25	57.1 Å²	57.1	15%	0.153	30%	0.298	C	S	.	.			trans	-97.2	151.3	163.3	54	0	0	0	0	109.4	I452 Q453 I454 K529	T450-I452 PolarHBondContact O-N 3.34Å; T450-Q453 PolarHBondContact O-N 3.32Å; T450-Q453 VanDerWaalsContact O-N 3.12Å; T450-Q453 WeakPolarHBondContact OG1-CB 3.45Å; T450-Q453 VanDerWaalsContact OG1-CG 3.3Å; T450-Q453 WeakPolarHBondContact OG1-CG 3.48Å; T450-Q453 PolarHBondContact OG1-N 2.97Å; T450-I454 WeakPolarHBondContact O-CG1 3.13Å; T450-I454 PolarHBondContact O-N 3.38Å; T450-I454 VanDerWaalsContact O-N 3.15Å; T450-K529 HydrophobicContact CG2-CB 3.96Å; T450-K529 HydrophobicContact CG2-CD 4.12Å
451	I	97	Very high	92.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-44	177.7	-56.9	-177.2	0	0	0	110.3	Q453 I454 C455 P463 L528 L532 P569 T573	I451-Q453 PolarHBondContact O-N 3.13Å; I451-I454 PolarHBondContact O-N 3.45Å; I451-I454 VanDerWaalsContact O-N 3.09Å; I451-C455 WeakPolarHBondContact O-CB 3.33Å; I451-C455 PolarHBondContact O-N 3.47Å; I451-C455 PolarHBondContact O-SG 3.35Å; I451-C455 VanDerWaalsContact O-SG 3.36Å; I451-P463 HydrophobicContact CG2-CG 3.94Å; I451-L528 HydrophobicContact CD1-CD1 3.8Å; I451-L528 HydrophobicContact CG1-CD1 3.7Å; I451-L528 HydrophobicContact CG1-CD2 3.94Å; I451-L528 HydrophobicContact CG1-CG 4.47Å; I451-L532 HydrophobicContact CD1-CD1 3.48Å; I451-L532 VanDerWaalsContact CD1-CD1 3.48Å; I451-P569 HydrophobicContact CG2-CB 3.79Å; I451-T573 HydrophobicContact CD1-CG2 4.36Å
452	I	96.8	Very high	93.4	Very high	53 Å²	53	53.7 Å²	53.7	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-53.1	-51.9	175.9	-56.8	173.3	0	0	0	111.4	T450 I454 C455 E456 P567 P569	T450-I452 PolarHBondContact O-N 3.34Å; I452-I454 VanDerWaalsContact C-N 3.25Å; I452-I454 PolarHBondContact O-N 3.3Å; I452-C455 PolarHBondContact O-N 3.06Å; I452-E456 HydrophobicContact CG2-CG 4.29Å; I452-E456 WeakPolarHBondContact CG2-OE1 3.4Å; I452-E456 WeakPolarHBondContact O-CB 3.47Å; I452-E456 VanDerWaalsContact O-CG 3.28Å; I452-E456 WeakPolarHBondContact O-CG 3.4Å; I452-E456 PolarHBondContact O-N 3.48Å; I452-P567 HydrophobicContact CD1-CB 4.08Å; I452-P567 HydrophobicContact CD1-CG 4.09Å; I452-P567 HydrophobicContact CG1-CB 4.43Å; I452-P569 HydrophobicContact CG1-CG 4.44Å
453	Q	95.3	Very high	94.1	Very high	63 Å²	63	45.8 Å²	45.8	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-28.4	179.9	-77.6	175.2	1.7	0	0	112.9	N443 T450 I451 N457	N443-Q453 PolarHBondContact ND2-OE1 3.24Å; T450-Q453 PolarHBondContact O-N 3.32Å; T450-Q453 VanDerWaalsContact O-N 3.12Å; T450-Q453 WeakPolarHBondContact OG1-CB 3.45Å; T450-Q453 VanDerWaalsContact OG1-CG 3.3Å; T450-Q453 WeakPolarHBondContact OG1-CG 3.48Å; T450-Q453 PolarHBondContact OG1-N 2.97Å; I451-Q453 PolarHBondContact O-N 3.13Å; Q453-N457 WeakPolarHBondContact O-CB 3.39Å; Q453-N457 PolarHBondContact O-N 3.4Å; Q453-N457 PolarHBondContact O-ND2 3.31Å
454	I	96.7	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.2	-47.4	176.5	-54.7	161	0	0	0	109.4	V446 T450 I451 I452 E456 N457 E458 P463 F524 L528	V446-I454 HydrophobicContact CG1-CG2 4.41Å; V446-I454 WeakPolarHBondContact O-CD1 3.1Å; T450-I454 WeakPolarHBondContact O-CG1 3.13Å; T450-I454 PolarHBondContact O-N 3.38Å; T450-I454 VanDerWaalsContact O-N 3.15Å; I451-I454 PolarHBondContact O-N 3.45Å; I451-I454 VanDerWaalsContact O-N 3.09Å; I452-I454 VanDerWaalsContact C-N 3.25Å; I452-I454 PolarHBondContact O-N 3.3Å; I454-E456 PolarHBondContact O-N 3.25Å; I454-N457 PolarHBondContact O-N 3.37Å; I454-N457 VanDerWaalsContact O-N 3.11Å; I454-E458 HydrophobicContact CG2-CG 4.23Å; I454-E458 WeakPolarHBondContact O-CB 3.33Å; I454-E458 WeakPolarHBondContact O-CG 3.48Å; I454-E458 PolarHBondContact O-N 2.92Å; I454-P463 HydrophobicContact CB-CG 4.2Å; I454-P463 HydrophobicContact CD1-CG 4.32Å; I454-P463 HydrophobicContact CG2-CB 3.85Å; I454-P463 HydrophobicContact CG2-CG 4.05Å; I454-F524 HydrophobicContact CD1-CE2 3.71Å; I454-F524 HydrophobicContact CD1-CZ 3.62Å; I454-L528 HydrophobicContact CD1-CD2 4.32Å
455	C	96.6	Very high	95.1	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-42.2	177.5	-73	0	0	0	0	113.1	I451 I452 N457 E458 D459 S460 P569	I451-C455 WeakPolarHBondContact O-CB 3.33Å; I451-C455 PolarHBondContact O-N 3.47Å; I451-C455 PolarHBondContact O-SG 3.35Å; I451-C455 VanDerWaalsContact O-SG 3.36Å; I452-C455 PolarHBondContact O-N 3.06Å; C455-N457 VanDerWaalsContact C-N 3.35Å; C455-N457 PolarHBondContact O-N 2.55Å; C455-E458 PolarHBondContact O-N 3.49Å; C455-D459 PolarHBondContact O-N 2.83Å; C455-S460 VanDerWaalsContact CA-O 3.22Å; C455-S460 WeakPolarHBondContact CA-O 3.49Å; C455-S460 WeakPolarHBondContact CB-O 3.3Å; C455-S460 PolarHBondContact O-N 2.91Å; C455-S460 PolarHBondContact SG-O 2.88Å; C455-P569 HydrophobicContact CB-CB 4.26Å; C455-P569 HydrophobicContact CB-CG 4.2Å
456	E	95.5	Very high	95.4	Very high	136 Å²	136	39.5 Å²	39.5	64%	0.636	21%	0.214	S	C	*	.	H	α-helix	trans	-62.9	-36.4	173.7	-71.7	168.7	160.6	0	0	112.8	I452 I454	I452-E456 HydrophobicContact CG2-CG 4.29Å; I452-E456 WeakPolarHBondContact CG2-OE1 3.4Å; I452-E456 WeakPolarHBondContact O-CB 3.47Å; I452-E456 VanDerWaalsContact O-CG 3.28Å; I452-E456 WeakPolarHBondContact O-CG 3.4Å; I452-E456 PolarHBondContact O-N 3.48Å; I454-E456 PolarHBondContact O-N 3.25Å
457	N	93.4	Very high	95.3	Very high	118 Å²	118	41 Å²	41	63%	0.631	22%	0.223	S	C	*	.	H	α-helix	trans	-82.3	-23.4	179.3	-79.9	-64.1	0	0	0	113.6	Q453 I454 C455	Q453-N457 WeakPolarHBondContact O-CB 3.39Å; Q453-N457 PolarHBondContact O-N 3.4Å; Q453-N457 PolarHBondContact O-ND2 3.31Å; I454-N457 PolarHBondContact O-N 3.37Å; I454-N457 VanDerWaalsContact O-N 3.11Å; C455-N457 VanDerWaalsContact C-N 3.35Å; C455-N457 PolarHBondContact O-N 2.55Å
458	E	93.9	Very high	95.1	Very high	32 Å²	32	46.2 Å²	46.2	15%	0.15	24%	0.243	C	C	.	.	H	α-helix	trans	-102.4	-1	-178	-68.4	-170	161	0	0	114.1	I454 C455 S460 N464 Y503	I454-E458 HydrophobicContact CG2-CG 4.23Å; I454-E458 WeakPolarHBondContact O-CB 3.33Å; I454-E458 WeakPolarHBondContact O-CG 3.48Å; I454-E458 PolarHBondContact O-N 2.92Å; C455-E458 PolarHBondContact O-N 3.49Å; E458-S460 PolarHBondContact O-N 3.37Å; E458-N464 VanDerWaalsContact OE2-CB 3.24Å; E458-N464 WeakPolarHBondContact OE2-CB 3.43Å; E458-N464 PolarHBondContact OE2-N 2.87Å; E458-N464 PolarHBondContact OE2-ND2 2.97Å; E458-Y503 HydrophobicContact CG-CE1 4.19Å
459	D	94.5	Very high	95.1	Very high	159 Å²	159	44.6 Å²	44.6	85%	0.85	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	51	-174	-162.7	26.6	0	0	0	112.3	C455	C455-D459 PolarHBondContact O-N 2.83Å
460	S	94	Very high	95.1	Very high	52 Å²	52	44.7 Å²	44.7	36%	0.364	23%	0.23	S	C	.	.	S	Bend	trans	-155	138.9	-173	-157.3	0	0	0	0	114.1	C455 E458 V462	C455-S460 VanDerWaalsContact CA-O 3.22Å; C455-S460 WeakPolarHBondContact CA-O 3.49Å; C455-S460 WeakPolarHBondContact CB-O 3.3Å; C455-S460 PolarHBondContact O-N 2.91Å; C455-S460 PolarHBondContact SG-O 2.88Å; E458-S460 PolarHBondContact O-N 3.37Å; S460-V462 PolarHBondContact O-N 2.86Å; S460-V462 VanDerWaalsContact O-N 3.13Å
461	D	93.7	Very high	94.8	Very high	93 Å²	93	48.7 Å²	48.7	50%	0.497	24%	0.242	S	C	.	.	S	Bend	trans	-62.2	-16.3	177.3	-84	-35.4	0	0	0	115.2	P569 N572	D461-P569 WeakPolarHBondContact O-CA 3.36Å; D461-N572 HydrophobicContact CB-CB 4.32Å; D461-N572 PolarHBondContact OD2-ND2 3.02Å
462	V	95.4	Very high	94.6	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	24%	0.243	C	C	.	.	S	Bend	trans	-142	131.7	-178.5	-178.8	0	0	0	0	109.6	S460 N464 V467 N572 I576	S460-V462 PolarHBondContact O-N 2.86Å; S460-V462 VanDerWaalsContact O-N 3.13Å; V462-N464 PolarHBondContact O-N 3.24Å; V462-V467 HydrophobicContact CB-CG2 4.2Å; V462-V467 HydrophobicContact CG1-CG2 3.76Å; V462-N572 HydrophobicContact CG2-CB 3.63Å; V462-I576 HydrophobicContact CB-CD1 4.46Å; V462-I576 HydrophobicContact CG1-CD1 4.39Å; V462-I576 HydrophobicContact CG2-CD1 3.98Å
463	P	96.4	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.			trans	-52.4	124.8	178.6	-30.1	37.2	0	0	0	113.4	I451 I454 F465 I466 V467 F524 T573	I451-P463 HydrophobicContact CG2-CG 3.94Å; I454-P463 HydrophobicContact CB-CG 4.2Å; I454-P463 HydrophobicContact CD1-CG 4.32Å; I454-P463 HydrophobicContact CG2-CB 3.85Å; I454-P463 HydrophobicContact CG2-CG 4.05Å; P463-F465 PolarHBondContact O-N 3.15Å; P463-F465 VanDerWaalsContact O-N 3.11Å; P463-I466 HydrophobicContact CB-CD1 3.87Å; P463-I466 HydrophobicContact CB-CG1 4.08Å; P463-I466 HydrophobicContact CG-CD1 3.88Å; P463-I466 WeakPolarHBondContact O-CB 3.41Å; P463-I466 PolarHBondContact O-N 2.9Å; P463-V467 PolarHBondContact O-N 2.99Å; P463-F524 HydrophobicContact CB-CZ 4.21Å; P463-F524 HydrophobicContact CG-CZ 4.2Å; P463-T573 WeakPolarHBondContact CD-OG1 3.41Å
464	N	94.2	Very high	94.3	Very high	42 Å²	42	44.9 Å²	44.9	23%	0.225	22%	0.224	C	C	.	.	H	α-helix	trans	-53	-36.6	-178.8	-88.4	-97.6	0	0	0	112.2	E458 V462 I466 V467 R468	E458-N464 VanDerWaalsContact OE2-CB 3.24Å; E458-N464 WeakPolarHBondContact OE2-CB 3.43Å; E458-N464 PolarHBondContact OE2-N 2.87Å; E458-N464 PolarHBondContact OE2-ND2 2.97Å; V462-N464 PolarHBondContact O-N 3.24Å; N464-I466 VanDerWaalsContact C-N 3.31Å; N464-I466 PolarHBondContact O-N 3.28Å; N464-V467 PolarHBondContact O-N 3.24Å; N464-R468 VanDerWaalsContact O-CB 3.29Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CD 3.44Å; N464-R468 WeakPolarHBondContact O-CG 3.48Å; N464-R468 PolarHBondContact O-N 2.81Å; N464-R468 PolarHBondContact OD1-NE 3.43Å; N464-R468 PolarHBondContact OD1-NH2 3.31Å
465	F	95.8	Very high	93.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-43.6	176.5	174	-108.4	0	0	0	112	V446 F447 P463 A469 V500 Y505 L507 A520 L521 F524	V446-F465 HydrophobicContact CG1-CB 4.14Å; F447-F465 HydrophobicContact CE2-CD1 4.38Å; F447-F465 HydrophobicContact CE2-CE1 4.2Å; F447-F465 HydrophobicContact CE2-CZ 4.33Å; F447-F465 HydrophobicContact CZ-CD1 4.41Å; F447-F465 AromaticContact CZ-CE1 3.82Å; F447-F465 HydrophobicContact CZ-CE1 3.82Å; F447-F465 AromaticContact CZ-CZ 3.94Å; F447-F465 HydrophobicContact CZ-CZ 3.94Å; P463-F465 PolarHBondContact O-N 3.15Å; P463-F465 VanDerWaalsContact O-N 3.11Å; F465-A469 HydrophobicContact CE2-CB 4.4Å; F465-A469 HydrophobicContact CZ-CB 4.32Å; F465-A469 WeakPolarHBondContact O-CB 3.29Å; F465-A469 PolarHBondContact O-N 3.04Å; F465-V500 HydrophobicContact CB-CG1 4Å; F465-V500 HydrophobicContact CD2-CB 4.31Å; F465-V500 HydrophobicContact CD2-CG1 3.78Å; F465-V500 HydrophobicContact CD2-CG2 3.52Å; F465-V500 HydrophobicContact CE2-CG2 3.67Å; F465-V500 HydrophobicContact CG-CG1 3.9Å; F465-V500 HydrophobicContact CG-CG2 4.43Å; F465-Y505 WeakPolarHBondContact CA-OH 3.43Å; F465-Y505 HydrophobicContact CD2-CE2 4.07Å; F465-Y505 PolarHBondContact N-OH 2.71Å; F465-L507 HydrophobicContact CD2-CD1 4.26Å; F465-L507 HydrophobicContact CE2-CD1 4.13Å; F465-A520 HydrophobicContact CZ-CB 3.98Å; F465-L521 HydrophobicContact CE1-CD1 4.17Å; F465-F524 HydrophobicContact CD1-CB 4.09Å; F465-F524 AromaticContact CD1-CD2 3.8Å; F465-F524 HydrophobicContact CD1-CD2 3.8Å; F465-F524 HydrophobicContact CD1-CE2 4.48Å; F465-F524 AromaticContact CD1-CG 3.93Å; F465-F524 HydrophobicContact CD1-CG 3.93Å; F465-F524 HydrophobicContact CE1-CB 3.71Å; F465-F524 HydrophobicContact CE1-CD2 4.28Å; F465-F524 HydrophobicContact CE1-CG 4.08Å
466	I	96.6	Very high	93.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-50.2	-179.8	-58.5	171.2	0	0	0	109.9	P463 N464 R468 A469 I470 L521 F524 F525 T573	P463-I466 HydrophobicContact CB-CD1 3.87Å; P463-I466 HydrophobicContact CB-CG1 4.08Å; P463-I466 HydrophobicContact CG-CD1 3.88Å; P463-I466 WeakPolarHBondContact O-CB 3.41Å; P463-I466 PolarHBondContact O-N 2.9Å; N464-I466 VanDerWaalsContact C-N 3.31Å; N464-I466 PolarHBondContact O-N 3.28Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 2.88Å; I466-A469 PolarHBondContact O-N 3.41Å; I466-I470 HydrophobicContact CG2-CD1 3.67Å; I466-I470 HydrophobicContact CG2-CG1 4.37Å; I466-I470 WeakPolarHBondContact O-CB 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.45Å; I466-I470 PolarHBondContact O-N 3.16Å; I466-L521 HydrophobicContact CB-CD1 4.4Å; I466-L521 HydrophobicContact CG1-CD1 4.17Å; I466-L521 HydrophobicContact CG2-CD1 4.27Å; I466-F524 HydrophobicContact CD1-CD1 4.14Å; I466-F524 HydrophobicContact CD1-CE1 3.47Å; I466-F524 VanDerWaalsContact CD1-CE1 3.47Å; I466-F524 HydrophobicContact CD1-CZ 4.03Å; I466-F524 HydrophobicContact CG1-CD1 4.05Å; I466-F524 HydrophobicContact CG1-CE1 3.79Å; I466-F524 HydrophobicContact CG1-CZ 4.27Å; I466-F525 HydrophobicContact CD1-CE1 3.9Å; I466-F525 HydrophobicContact CD1-CZ 3.96Å; I466-F525 HydrophobicContact CG1-CZ 4.33Å; I466-F525 HydrophobicContact CG2-CZ 4.28Å; I466-T573 HydrophobicContact CD1-CG2 3.4Å
467	V	93.4	Very high	92.8	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.188	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-43.2	-179.3	-177.9	0	0	0	0	111.1	V462 P463 N464 R471	V462-V467 HydrophobicContact CB-CG2 4.2Å; V462-V467 HydrophobicContact CG1-CG2 3.76Å; P463-V467 PolarHBondContact O-N 2.99Å; N464-V467 PolarHBondContact O-N 3.24Å; V467-R471 VanDerWaalsContact O-CG 3.32Å; V467-R471 WeakPolarHBondContact O-CG 3.48Å; V467-R471 PolarHBondContact O-N 2.84Å
468	R	92.7	Very high	92.7	Very high	110 Å²	110	41.9 Å²	41.9	42%	0.415	22%	0.221	S	C	.	.	H	α-helix	trans	-69.2	-39.6	177.6	-66.3	168.2	-166.3	-157.1	6.2	111.6	N464 I466 A472 L507	N464-R468 VanDerWaalsContact O-CB 3.29Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CD 3.44Å; N464-R468 WeakPolarHBondContact O-CG 3.48Å; N464-R468 PolarHBondContact O-N 2.81Å; N464-R468 PolarHBondContact OD1-NE 3.43Å; N464-R468 PolarHBondContact OD1-NH2 3.31Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 2.88Å; R468-A472 VanDerWaalsContact O-CB 3.32Å; R468-A472 WeakPolarHBondContact O-CB 3.07Å; R468-A472 PolarHBondContact O-N 2.99Å; R468-L507 HydrophobicContact CB-CD1 3.82Å; R468-L507 HydrophobicContact CB-CG 4.49Å
469	A	94.4	Very high	92.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-45.6	179.8	0	0	0	0	0	111.4	F465 I466 A472 I473 L507 L521	F465-A469 HydrophobicContact CE2-CB 4.4Å; F465-A469 HydrophobicContact CZ-CB 4.32Å; F465-A469 WeakPolarHBondContact O-CB 3.29Å; F465-A469 PolarHBondContact O-N 3.04Å; I466-A469 PolarHBondContact O-N 3.41Å; A469-A472 PolarHBondContact O-N 3.07Å; A469-I473 WeakPolarHBondContact O-CB 3.42Å; A469-I473 WeakPolarHBondContact O-CD1 3.46Å; A469-I473 WeakPolarHBondContact O-CG1 3.17Å; A469-I473 PolarHBondContact O-N 3.22Å; A469-L507 HydrophobicContact CB-CD1 3.89Å; A469-L521 HydrophobicContact CB-CD1 4.33Å; A469-L521 HydrophobicContact CB-CD2 4.28Å
470	I	94.6	Very high	92.6	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-56.1	-52.3	174.7	-74.2	171.4	0	0	0	110.5	I466 A472 I473 E474 L521 I576 F577 H580	I466-I470 HydrophobicContact CG2-CD1 3.67Å; I466-I470 HydrophobicContact CG2-CG1 4.37Å; I466-I470 WeakPolarHBondContact O-CB 3.28Å; I466-I470 WeakPolarHBondContact O-CG1 3.45Å; I466-I470 PolarHBondContact O-N 3.16Å; I470-A472 VanDerWaalsContact C-N 3.34Å; I470-A472 PolarHBondContact O-N 3.02Å; I470-I473 PolarHBondContact O-N 3.16Å; I470-I473 VanDerWaalsContact O-N 3.14Å; I470-E474 HydrophobicContact CG2-CG 4.4Å; I470-E474 WeakPolarHBondContact O-CB 3.44Å; I470-E474 WeakPolarHBondContact O-CG 3.46Å; I470-E474 PolarHBondContact O-N 2.94Å; I470-L521 HydrophobicContact CG1-CD2 4.14Å; I470-I576 HydrophobicContact CD1-CG2 3.78Å; I470-F577 HydrophobicContact CD1-CD2 4.18Å; I470-H580 HydrophobicContact CD1-CB 4.03Å; I470-H580 HydrophobicContact CG1-CB 4.17Å; I470-H580 HydrophobicContact CG2-CB 3.87Å
471	R	90.9	Very high	92.8	Very high	108 Å²	108	42 Å²	42	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-42.7	178.4	-70.7	176.4	-171.6	-178	4.8	112.5	V467 I473 E474 A475	V467-R471 VanDerWaalsContact O-CG 3.32Å; V467-R471 WeakPolarHBondContact O-CG 3.48Å; V467-R471 PolarHBondContact O-N 2.84Å; R471-I473 VanDerWaalsContact C-N 3.33Å; R471-I473 PolarHBondContact O-N 2.86Å; R471-E474 PolarHBondContact O-N 3.42Å; R471-A475 VanDerWaalsContact O-CB 3.26Å; R471-A475 WeakPolarHBondContact O-CB 3.48Å; R471-A475 PolarHBondContact O-N 3.23Å
472	A	91	Very high	92.8	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-74.3	-19.8	179.4	0	0	0	0	0	113.8	R468 A469 I470 R476 L507 L517	R468-A472 VanDerWaalsContact O-CB 3.32Å; R468-A472 WeakPolarHBondContact O-CB 3.07Å; R468-A472 PolarHBondContact O-N 2.99Å; A469-A472 PolarHBondContact O-N 3.07Å; I470-A472 VanDerWaalsContact C-N 3.34Å; I470-A472 PolarHBondContact O-N 3.02Å; A472-R476 WeakPolarHBondContact O-CD 3.28Å; A472-R476 WeakPolarHBondContact O-CG 3.2Å; A472-L507 HydrophobicContact CB-CB 3.88Å; A472-L517 HydrophobicContact CB-CD1 3.59Å
473	I	93.4	Very high	92.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-80	-47.2	170.7	-72	165	0	0	0	109.7	A469 I470 R471 A475 R476 L478 I483 Y484 L514 L517 T518 L521	A469-I473 WeakPolarHBondContact O-CB 3.42Å; A469-I473 WeakPolarHBondContact O-CD1 3.46Å; A469-I473 WeakPolarHBondContact O-CG1 3.17Å; A469-I473 PolarHBondContact O-N 3.22Å; I470-I473 PolarHBondContact O-N 3.16Å; I470-I473 VanDerWaalsContact O-N 3.14Å; R471-I473 VanDerWaalsContact C-N 3.33Å; R471-I473 PolarHBondContact O-N 2.86Å; I473-A475 PolarHBondContact O-N 2.97Å; I473-R476 PolarHBondContact O-N 3.12Å; I473-L478 HydrophobicContact CG2-CD2 4.38Å; I473-I483 HydrophobicContact CG2-CD1 3.96Å; I473-Y484 HydrophobicContact CD1-CE1 4.34Å; I473-Y484 WeakPolarHBondContact CD1-OH 3.31Å; I473-L514 HydrophobicContact CB-CD1 4.23Å; I473-L514 HydrophobicContact CG1-CD1 4.15Å; I473-L514 HydrophobicContact CG2-CD1 4Å; I473-L517 HydrophobicContact CD1-CB 4.05Å; I473-L517 HydrophobicContact CG1-CB 3.71Å; I473-L517 HydrophobicContact CG1-CD1 4.03Å; I473-T518 HydrophobicContact CD1-CG2 3.86Å; I473-T518 HydrophobicContact CG1-CG2 4.14Å; I473-T518 HydrophobicContact CG2-CG2 4.22Å; I473-L521 HydrophobicContact CD1-CD2 4.07Å
474	E	92.5	Very high	93	Very high	34 Å²	34	37.2 Å²	37.2	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-43.1	178	-71.6	177.4	168.5	0	0	112	I470 R471 R476 L478 H580 R583	I470-E474 HydrophobicContact CG2-CG 4.4Å; I470-E474 WeakPolarHBondContact O-CB 3.44Å; I470-E474 WeakPolarHBondContact O-CG 3.46Å; I470-E474 PolarHBondContact O-N 2.94Å; R471-E474 PolarHBondContact O-N 3.42Å; E474-R476 PolarHBondContact O-N 2.7Å; E474-R476 VanDerWaalsContact O-N 3.16Å; E474-L478 HydrophobicContact CG-CD1 4.24Å; E474-L478 HydrophobicContact CG-CD2 3.98Å; E474-L478 HydrophobicContact CG-CG 4.37Å; E474-H580 WeakPolarHBondContact CG-ND1 3.5Å; E474-H580 IonicContact OE1-CE1 3.58Å; E474-H580 IonicContact OE1-CG 2.75Å; E474-H580 IonicContact OE1-ND1 2.79Å; E474-H580 PolarHBondContact OE1-ND1 3.07Å; E474-R583 IonicContact OE1-CZ 3.21Å; E474-R583 IonicContact OE1-NE 2.81Å; E474-R583 PolarHBondContact OE1-NE 3.06Å; E474-R583 IonicContact OE1-NH2 3.99Å; E474-R583 PolarHBondContact OE1-NH2 2.75Å; E474-R583 IonicContact OE2-NE 3.99Å; E474-R583 IonicContact OE2-NH2 2.65Å
475	A	89.3	Confident	93.1	Very high	86 Å²	86	41.6 Å²	41.6	71%	0.711	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.5	178.8	0	0	0	0	0	115.2	R471 I473	R471-A475 VanDerWaalsContact O-CB 3.26Å; R471-A475 WeakPolarHBondContact O-CB 3.48Å; R471-A475 PolarHBondContact O-N 3.23Å; I473-A475 PolarHBondContact O-N 2.97Å
476	R	86.6	Confident	93	Very high	75 Å²	75	43.6 Å²	43.6	28%	0.283	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	2.3	-174.1	-74	-177.3	-179.1	177.1	-9.9	115.2	A472 I473 E474 L507 N508 S509 W512 L514 L517	A472-R476 WeakPolarHBondContact O-CD 3.28Å; A472-R476 WeakPolarHBondContact O-CG 3.2Å; I473-R476 PolarHBondContact O-N 3.12Å; E474-R476 PolarHBondContact O-N 2.7Å; E474-R476 VanDerWaalsContact O-N 3.16Å; R476-L507 PolarHBondContact NH2-O 2.99Å; R476-N508 PolarHBondContact NH2-O 3.44Å; R476-S509 PolarHBondContact NH2-O 3.22Å; R476-W512 PolarHBondContact NH1-O 2.81Å; R476-L514 HydrophobicContact CB-CD1 4.17Å; R476-L517 VanDerWaalsContact NH1-CD1 3.33Å
477	G	81.1	Confident	92.8	Very high	14 Å²	14	48.1 Å²	48.1	14%	0.144	25%	0.252	C	S	.	.			trans	115.6	98.3	178.2	0	0	0	0	0	112.9	D479	G477-D479 WeakPolarHBondContact CA-OD1 3.44Å
478	L	92.4	Very high	92.8	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.126	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.3	163.9	-65.1	-175.8	0	0	0	112.4	I473 E474 I483 R583 V584 L587 N591	I473-L478 HydrophobicContact CG2-CD2 4.38Å; E474-L478 HydrophobicContact CG-CD1 4.24Å; E474-L478 HydrophobicContact CG-CD2 3.98Å; E474-L478 HydrophobicContact CG-CG 4.37Å; L478-I483 HydrophobicContact CD2-CD1 4.21Å; L478-R583 HydrophobicContact CD1-CB 3.98Å; L478-V584 HydrophobicContact CD2-CG2 3.98Å; L478-L587 HydrophobicContact CB-CD1 3.56Å; L478-L587 HydrophobicContact CD1-CD1 4.28Å; L478-N591 VanDerWaalsContact O-CB 3.31Å; L478-N591 WeakPolarHBondContact O-CB 3.35Å; L478-N591 PolarHBondContact O-ND2 2.93Å
479	D	93	Very high	92.9	Very high	89 Å²	89	46 Å²	46	48%	0.476	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18	174.9	60	-29.3	0	0	0	113.5	G477 V481 I590 N591	G477-D479 WeakPolarHBondContact CA-OD1 3.44Å; D479-V481 PolarHBondContact O-N 3.05Å; D479-V481 VanDerWaalsContact O-N 3.12Å; D479-I590 HydrophobicContact CB-CG2 3.9Å; D479-N591 WeakPolarHBondContact O-CA 3.27Å; D479-N591 WeakPolarHBondContact O-CB 3.24Å
480	H	94.4	Very high	93	Very high	70 Å²	70	48.4 Å²	48.4	32%	0.324	28%	0.276	S	S	.	.	S	Bend	trans	-54.3	117.5	-177.2	-176.9	-65.4	0	0	0	112.8	G482 I483 L514	H480-G482 PolarHBondContact O-N 3.24Å; H480-I483 WeakPolarHBondContact O-CB 3.46Å; H480-I483 PolarHBondContact O-N 3.34Å; H480-L514 HydrophobicContact CB-CD2 3.47Å; H480-L514 VanDerWaalsContact CB-CD2 3.47Å
481	V	96.5	Very high	93.1	Very high	86 Å²	86	51 Å²	51	52%	0.521	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	125.2	-177.1	-175.2	0	0	0	0	111.8	D479 I483 Q592	D479-V481 PolarHBondContact O-N 3.05Å; D479-V481 VanDerWaalsContact O-N 3.12Å; V481-I483 VanDerWaalsContact C-N 3.34Å; V481-I483 PolarHBondContact O-N 3.47Å; V481-Q592 HydrophobicContact CG1-CG 4.16Å
482	G	95.3	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	26.5	-177.3	0	0	0	0	0	114.4	H480 Y484 R485 S486 N591	H480-G482 PolarHBondContact O-N 3.24Å; G482-Y484 PolarHBondContact O-N 3.32Å; G482-R485 CarbonylContact O-C 3.6Å; G482-R485 WeakPolarHBondContact O-CA 3.45Å; G482-R485 WeakPolarHBondContact O-CB 3.39Å; G482-R485 PolarHBondContact O-N 3.44Å; G482-S486 PolarHBondContact O-N 3.48Å; G482-S486 PolarHBondContact O-OG 2.85Å; G482-N591 PolarHBondContact N-O 3.48Å
483	I	97	Very high	93.6	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46	139.3	169.6	-168.6	172.4	0	0	0	111	I473 L478 H480 V481 R485 L514 T518 V584 N591 M593	I473-I483 HydrophobicContact CG2-CD1 3.96Å; L478-I483 HydrophobicContact CD2-CD1 4.21Å; H480-I483 WeakPolarHBondContact O-CB 3.46Å; H480-I483 PolarHBondContact O-N 3.34Å; V481-I483 VanDerWaalsContact C-N 3.34Å; V481-I483 PolarHBondContact O-N 3.47Å; I483-R485 PolarHBondContact O-N 2.84Å; I483-L514 HydrophobicContact CD1-CD2 4.43Å; I483-T518 HydrophobicContact CG1-CG2 3.98Å; I483-V584 HydrophobicContact CG2-CG1 3.56Å; I483-N591 HydrophobicContact CG2-CB 4.11Å; I483-M593 HydrophobicContact CG2-CB 4.4Å; I483-M593 HydrophobicContact CG2-CG 3.94Å; I483-M593 WeakPolarHBondContact O-CE 3.1Å; I483-M593 WeakPolarHBondContact O-CG 3.19Å
484	Y	97.7	Very high	93.8	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-25.5	-167.5	-65.2	-73.3	0	0	0	117.9	I473 G482 T518 L521 K522 H580 L581 V584 L598 F602	I473-Y484 HydrophobicContact CD1-CE1 4.34Å; I473-Y484 WeakPolarHBondContact CD1-OH 3.31Å; G482-Y484 PolarHBondContact O-N 3.32Å; Y484-T518 VanDerWaalsContact CD1-CB 3.42Å; Y484-T518 HydrophobicContact CD1-CG2 3.68Å; Y484-T518 HydrophobicContact CD2-CG2 4.32Å; Y484-T518 HydrophobicContact CE1-CG2 3.59Å; Y484-T518 HydrophobicContact CE2-CG2 4.23Å; Y484-T518 HydrophobicContact CG-CG2 4.07Å; Y484-L521 HydrophobicContact CE1-CD2 4.4Å; Y484-K522 HydrophobicContact CD1-CD 4.37Å; Y484-K522 HydrophobicContact CD1-CG 4.22Å; Y484-K522 WeakPolarHBondContact O-CE 3.27Å; Y484-K522 PolarHBondContact O-NZ 3.04Å; Y484-H580 AromaticContact CE2-NE2 3.41Å; Y484-H580 WeakPolarHBondContact CE2-NE2 3.45Å; Y484-H580 AromaticContact CZ-NE2 3.49Å; Y484-H580 PolarHBondContact OH-CD2 3.36Å; Y484-H580 VanDerWaalsContact OH-CD2 3.25Å; Y484-H580 PolarHBondContact OH-NE2 3.4Å; Y484-L581 HydrophobicContact CD2-CD2 4.16Å; Y484-L581 HydrophobicContact CE2-CD2 3.87Å; Y484-V584 HydrophobicContact CD2-CG2 4.48Å; Y484-V584 HydrophobicContact CE2-CG2 4.09Å; Y484-L598 HydrophobicContact CD2-CD2 4.48Å; Y484-F602 HydrophobicContact CD1-CE1 4.5Å; Y484-F602 AromaticContact CD1-CE2 3.86Å; Y484-F602 HydrophobicContact CD1-CE2 3.86Å; Y484-F602 AromaticContact CD1-CZ 3.38Å; Y484-F602 HydrophobicContact CD1-CZ 3.38Å; Y484-F602 HydrophobicContact CD2-CE2 4.19Å; Y484-F602 HydrophobicContact CD2-CZ 4.41Å; Y484-F602 HydrophobicContact CE1-CE2 4.39Å; Y484-F602 AromaticContact CE1-CZ 3.67Å; Y484-F602 HydrophobicContact CE1-CZ 3.67Å; Y484-F602 AromaticContact CG-CE2 3.74Å; Y484-F602 HydrophobicContact CG-CE2 3.74Å; Y484-F602 AromaticContact CG-CZ 3.78Å; Y484-F602 HydrophobicContact CG-CZ 3.78Å
485	R	96.4	Very high	94	Very high	134 Å²	134	57.4 Å²	57.4	51%	0.506	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-44.6	171.3	-173.3	178.8	70.4	-166.9	0.3	111.1	G482 I483 M593 V601	G482-R485 CarbonylContact O-C 3.6Å; G482-R485 WeakPolarHBondContact O-CA 3.45Å; G482-R485 WeakPolarHBondContact O-CB 3.39Å; G482-R485 PolarHBondContact O-N 3.44Å; I483-R485 PolarHBondContact O-N 2.84Å; R485-M593 HydrophobicContact CB-CE 3.93Å; R485-M593 HydrophobicContact CB-SD 3.75Å; R485-V601 HydrophobicContact CB-CG2 4.49Å
486	S	93	Very high	94.3	Very high	42 Å²	42	53.3 Å²	53.3	29%	0.294	30%	0.299	S	S	.	.	S	Bend	trans	-59.9	150.7	171.2	-63.4	0	0	0	0	111	G482 K522	G482-S486 PolarHBondContact O-N 3.48Å; G482-S486 PolarHBondContact O-OG 2.85Å; S486-K522 PolarHBondContact O-NZ 3.45Å; S486-K522 VanDerWaalsContact O-NZ 3.13Å
487	S	93.5	Very high	94.8	Very high	96 Å²	96	50.7 Å²	50.7	67%	0.671	29%	0.289	S	S	*	.			trans	-132	116	-171.1	-68.5	0	0	0	0	111
488	G	92.8	Very high	95.4	Very high	16 Å²	16	52.7 Å²	52.7	17%	0.165	30%	0.3	C	S	.	.			trans	-69.7	169.3	177.7	0	0	0	0	0	113.1	G490 I493 E515	G488-G490 PolarHBondContact O-N 2.68Å; G488-G490 VanDerWaalsContact O-N 3.07Å; G488-I493 WeakPolarHBondContact O-CD1 3.4Å; G488-E515 WeakPolarHBondContact CA-O 3.49Å; G488-E515 VanDerWaalsContact N-CB 3.34Å; G488-E515 PolarHBondContact N-O 3.49Å; G488-E515 VanDerWaalsContact N-O 3.08Å
489	N	95.3	Very high	95.5	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	30%	0.301	S	S	.	.			trans	-57.7	113.5	178.5	178.7	-13.5	0	0	0	111.1	A491 T492 I493	N489-A491 PolarHBondContact O-N 3.16Å; N489-A491 VanDerWaalsContact O-N 3.16Å; N489-A491 WeakPolarHBondContact OD1-CB 3.45Å; N489-A491 PolarHBondContact OD1-N 2.92Å; N489-T492 WeakPolarHBondContact O-CA 3.14Å; N489-T492 WeakPolarHBondContact O-CB 3.11Å; N489-T492 PolarHBondContact O-N 2.89Å; N489-I493 PolarHBondContact O-N 3.15Å
490	G	95.4	Very high	95.7	Very high	50 Å²	50	48.1 Å²	48.1	52%	0.515	28%	0.278	S	S	.	.	H	α-helix	trans	-55.6	-32.8	-178.4	0	0	0	0	0	114.3	G488 T492 I493 Q494	G488-G490 PolarHBondContact O-N 2.68Å; G488-G490 VanDerWaalsContact O-N 3.07Å; G490-T492 VanDerWaalsContact C-N 3.32Å; G490-T492 PolarHBondContact O-N 2.86Å; G490-I493 PolarHBondContact O-N 3.31Å; G490-Q494 WeakPolarHBondContact O-CB 3.36Å; G490-Q494 PolarHBondContact O-N 3.32Å
491	A	97	Very high	95.7	Very high	59 Å²	59	45.9 Å²	45.9	49%	0.488	27%	0.269	S	S	.	.	H	α-helix	trans	-71.7	-26.7	175.2	0	0	0	0	0	112.7	N489 K495	N489-A491 PolarHBondContact O-N 3.16Å; N489-A491 VanDerWaalsContact O-N 3.16Å; N489-A491 WeakPolarHBondContact OD1-CB 3.45Å; N489-A491 PolarHBondContact OD1-N 2.92Å; A491-K495 VanDerWaalsContact O-CG 3.27Å; A491-K495 WeakPolarHBondContact O-CG 3.34Å; A491-K495 PolarHBondContact O-N 3.23Å
492	T	96.4	Very high	95.5	Very high	31 Å²	31	48.3 Å²	48.3	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-80.1	-38.2	172.7	-51.9	0	0	0	0	111	N489 G490 Q494 K495 L496 W512 V516	N489-T492 WeakPolarHBondContact O-CA 3.14Å; N489-T492 WeakPolarHBondContact O-CB 3.11Å; N489-T492 PolarHBondContact O-N 2.89Å; G490-T492 VanDerWaalsContact C-N 3.32Å; G490-T492 PolarHBondContact O-N 2.86Å; T492-Q494 VanDerWaalsContact C-N 3.33Å; T492-Q494 PolarHBondContact O-N 2.97Å; T492-K495 WeakPolarHBondContact O-CB 3.1Å; T492-K495 PolarHBondContact O-N 3.05Å; T492-L496 PolarHBondContact O-N 3.06Å; T492-W512 HydrophobicContact CG2-CE3 3.96Å; T492-W512 HydrophobicContact CG2-CZ3 4.03Å; T492-V516 HydrophobicContact CG2-CG1 3.99Å; T492-V516 HydrophobicContact CG2-CG2 3.97Å
493	I	97.3	Very high	95.2	Very high	19 Å²	19	53.5 Å²	53.5	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-44.6	171.3	-64.4	166.6	0	0	0	110.2	G488 N489 G490 K495 L496 R497 V516 A520 L523	G488-I493 WeakPolarHBondContact O-CD1 3.4Å; N489-I493 PolarHBondContact O-N 3.15Å; G490-I493 PolarHBondContact O-N 3.31Å; I493-K495 PolarHBondContact O-N 2.69Å; I493-L496 WeakPolarHBondContact O-CB 3.48Å; I493-L496 PolarHBondContact O-N 3.43Å; I493-L496 VanDerWaalsContact O-N 3.12Å; I493-R497 PolarHBondContact O-N 3.42Å; I493-V516 HydrophobicContact CG1-CB 4.4Å; I493-V516 HydrophobicContact CG1-CG1 4.13Å; I493-V516 HydrophobicContact CG1-CG2 4.39Å; I493-A520 HydrophobicContact CG2-CB 4.13Å; I493-L523 HydrophobicContact CG2-CB 4.35Å; I493-L523 HydrophobicContact CG2-CD2 3.65Å
494	Q	97.1	Very high	94.9	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-35.4	176.7	-165.3	67.2	5.8	0	0	112.8	G490 T492 L496 R497 C498	G490-Q494 WeakPolarHBondContact O-CB 3.36Å; G490-Q494 PolarHBondContact O-N 3.32Å; T492-Q494 VanDerWaalsContact C-N 3.33Å; T492-Q494 PolarHBondContact O-N 2.97Å; Q494-L496 VanDerWaalsContact C-N 3.32Å; Q494-R497 WeakPolarHBondContact O-CB 3.44Å; Q494-R497 PolarHBondContact O-N 2.65Å; Q494-C498 PolarHBondContact O-N 3.49Å; Q494-C498 PolarHBondContact O-SG 3.07Å; Q494-C498 VanDerWaalsContact O-SG 3.34Å
495	K	96.2	Very high	94.4	Very high	139 Å²	139	60.4 Å²	60.4	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-62	-40.7	171.1	-73.8	167.4	-172	175.8	0	111.5	A491 T492 I493 A499 W512	A491-K495 VanDerWaalsContact O-CG 3.27Å; A491-K495 WeakPolarHBondContact O-CG 3.34Å; A491-K495 PolarHBondContact O-N 3.23Å; T492-K495 WeakPolarHBondContact O-CB 3.1Å; T492-K495 PolarHBondContact O-N 3.05Å; I493-K495 PolarHBondContact O-N 2.69Å; K495-A499 WeakPolarHBondContact O-CB 3.27Å; K495-A499 PolarHBondContact O-N 3.01Å; K495-A499 VanDerWaalsContact O-N 3.07Å; K495-W512 HydrophobicContact CB-CZ3 4.34Å
496	L	96.1	Very high	94	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-46.6	176.6	-179.7	52.4	0	0	0	111.4	T492 I493 Q494 C498 A499 V500 L507 W512 V516 L517 A520	T492-L496 PolarHBondContact O-N 3.06Å; I493-L496 WeakPolarHBondContact O-CB 3.48Å; I493-L496 PolarHBondContact O-N 3.43Å; I493-L496 VanDerWaalsContact O-N 3.12Å; Q494-L496 VanDerWaalsContact C-N 3.32Å; L496-C498 VanDerWaalsContact C-N 3.32Å; L496-C498 PolarHBondContact O-N 3Å; L496-A499 WeakPolarHBondContact O-CB 3.31Å; L496-A499 PolarHBondContact O-N 2.89Å; L496-V500 HydrophobicContact CD1-CG2 3.89Å; L496-V500 HydrophobicContact CG-CG2 4.33Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 2.86Å; L496-L507 HydrophobicContact CD1-CD2 3.67Å; L496-L507 HydrophobicContact CD2-CD2 4.18Å; L496-W512 HydrophobicContact CB-CD2 4.47Å; L496-W512 HydrophobicContact CB-CE3 4.01Å; L496-W512 HydrophobicContact CB-CH2 4Å; L496-W512 HydrophobicContact CB-CZ2 4.49Å; L496-W512 HydrophobicContact CB-CZ3 3.75Å; L496-W512 HydrophobicContact CD1-CD2 4.15Å; L496-W512 HydrophobicContact CD1-CE3 4.5Å; L496-W512 HydrophobicContact CD1-CH2 4.17Å; L496-W512 HydrophobicContact CD1-CZ2 3.81Å; L496-W512 HydrophobicContact CD2-CD2 4.27Å; L496-W512 HydrophobicContact CD2-CE3 4.4Å; L496-W512 HydrophobicContact CD2-CG 4.41Å; L496-V516 HydrophobicContact CD2-CG1 4.19Å; L496-L517 HydrophobicContact CD2-CD2 4.06Å; L496-A520 HydrophobicContact CD2-CB 3.71Å; L496-A520 HydrophobicContact CG-CB 4.24Å
497	R	97	Very high	93.7	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-48.3	-51.3	172.3	-174.5	-160.8	-172.7	-77.7	-11	112.1	E444 F447 I493 Q494 V500 N501 L523 E527	E444-R497 VanDerWaalsContact CD-NH1 3.29Å; E444-R497 IonicContact OE1-CZ 3.13Å; E444-R497 IonicContact OE1-NH1 3.98Å; E444-R497 PolarHBondContact OE1-NH1 3.11Å; E444-R497 IonicContact OE1-NH2 2.75Å; E444-R497 IonicContact OE2-CZ 3.95Å; E444-R497 IonicContact OE2-NH1 2.74Å; E444-R497 PolarHBondContact OE2-NH1 3.39Å; E444-R497 IonicContact OE2-NH2 2.7Å; E444-R497 PolarHBondContact OE2-NH2 3.17Å; F447-R497 HydrophobicContact CB-CG 4Å; F447-R497 HydrophobicContact CD1-CG 3.66Å; F447-R497 HydrophobicContact CD2-CB 4.48Å; F447-R497 HydrophobicContact CD2-CG 3.85Å; F447-R497 HydrophobicContact CE1-CB 4.41Å; F447-R497 HydrophobicContact CE1-CG 4.01Å; F447-R497 HydrophobicContact CE2-CB 4.4Å; F447-R497 HydrophobicContact CE2-CG 4.22Å; F447-R497 HydrophobicContact CG-CG 3.57Å; F447-R497 HydrophobicContact CZ-CB 4.36Å; F447-R497 HydrophobicContact CZ-CG 4.29Å; I493-R497 PolarHBondContact O-N 3.42Å; Q494-R497 WeakPolarHBondContact O-CB 3.44Å; Q494-R497 PolarHBondContact O-N 2.65Å; R497-V500 PolarHBondContact O-N 2.82Å; R497-N501 PolarHBondContact O-N 2.89Å; R497-L523 HydrophobicContact CB-CD2 4.37Å; R497-L523 HydrophobicContact CG-CD2 4.36Å; R497-E527 IonicContact CZ-OE1 3.85Å; R497-E527 IonicContact CZ-OE2 3Å; R497-E527 IonicContact NE-OE1 3.14Å; R497-E527 PolarHBondContact NE-OE1 3.04Å; R497-E527 IonicContact NE-OE2 2.88Å; R497-E527 PolarHBondContact NE-OE2 2.93Å; R497-E527 IonicContact NH2-OE1 2.68Å; R497-E527 IonicContact NH2-OE2 3.51Å; R497-E527 PolarHBondContact NH2-OE2 3.11Å
498	C	94.7	Very high	92.8	Very high	55 Å²	55	57.1 Å²	57.1	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-38.2	178.1	-67.9	0	0	0	0	113.1	Q494 L496 Q502	Q494-C498 PolarHBondContact O-N 3.49Å; Q494-C498 PolarHBondContact O-SG 3.07Å; Q494-C498 VanDerWaalsContact O-SG 3.34Å; L496-C498 VanDerWaalsContact C-N 3.32Å; L496-C498 PolarHBondContact O-N 3Å; C498-Q502 VanDerWaalsContact O-CG 3.27Å; C498-Q502 WeakPolarHBondContact O-CG 3.47Å; C498-Q502 PolarHBondContact O-N 3.5Å
499	A	94.4	Very high	91.9	Very high	17 Å²	17	59.1 Å²	59.1	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-37.5	176.3	0	0	0	0	0	112.3	K495 L496 Q502 Y503 N504	K495-A499 WeakPolarHBondContact O-CB 3.27Å; K495-A499 PolarHBondContact O-N 3.01Å; K495-A499 VanDerWaalsContact O-N 3.07Å; L496-A499 WeakPolarHBondContact O-CB 3.31Å; L496-A499 PolarHBondContact O-N 2.89Å; A499-Q502 CarbonylContact O-C 3.58Å; A499-Q502 PolarHBondContact O-N 3.49Å; A499-Y503 PolarHBondContact O-N 2.8Å; A499-N504 CarbonylContact O-C 3.58Å; A499-N504 PolarHBondContact O-N 2.59Å
500	V	95.5	Very high	91	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.7	-45.7	176.4	174.5	0	0	0	0	111.5	V446 F447 F465 L496 R497 Q502 Y503 Y505	V446-V500 HydrophobicContact CB-CG1 3.93Å; V446-V500 HydrophobicContact CG1-CG1 3.63Å; V446-V500 HydrophobicContact CG2-CG1 4.22Å; F447-V500 HydrophobicContact CD2-CB 4.24Å; F447-V500 HydrophobicContact CD2-CG1 4.07Å; F447-V500 HydrophobicContact CE2-CB 3.81Å; F447-V500 HydrophobicContact CE2-CG1 3.76Å; F447-V500 HydrophobicContact CE2-CG2 4.26Å; F465-V500 HydrophobicContact CB-CG1 4Å; F465-V500 HydrophobicContact CD2-CB 4.31Å; F465-V500 HydrophobicContact CD2-CG1 3.78Å; F465-V500 HydrophobicContact CD2-CG2 3.52Å; F465-V500 HydrophobicContact CE2-CG2 3.67Å; F465-V500 HydrophobicContact CG-CG1 3.9Å; F465-V500 HydrophobicContact CG-CG2 4.43Å; L496-V500 HydrophobicContact CD1-CG2 3.89Å; L496-V500 HydrophobicContact CG-CG2 4.33Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 2.86Å; R497-V500 PolarHBondContact O-N 2.82Å; V500-Q502 PolarHBondContact O-N 3.45Å; V500-Q502 VanDerWaalsContact O-N 3.15Å; V500-Y503 WeakPolarHBondContact O-CA 3.38Å; V500-Y503 PolarHBondContact O-N 3.46Å; V500-Y505 HydrophobicContact CB-CD1 4.16Å; V500-Y505 HydrophobicContact CB-CE1 4.3Å; V500-Y505 HydrophobicContact CB-CG 4.46Å; V500-Y505 HydrophobicContact CG1-CD1 4.4Å; V500-Y505 HydrophobicContact CG1-CE1 4.02Å; V500-Y505 HydrophobicContact CG2-CD1 3.93Å; V500-Y505 HydrophobicContact CG2-CD2 3.9Å; V500-Y505 HydrophobicContact CG2-CE1 4.24Å; V500-Y505 HydrophobicContact CG2-CE2 4.21Å; V500-Y505 HydrophobicContact CG2-CG 3.74Å
501	N	94.4	Very high	90.5	Very high	24 Å²	24	68.9 Å²	68.9	13%	0.128	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-21.7	173.9	-78.1	-0.8	0	0	0	113.3	E444 S445 V446 F447 R497	E444-N501 PolarHBondContact OE1-ND2 2.94Å; E444-N501 PolarHBondContact OE2-ND2 3.01Å; S445-N501 VanDerWaalsContact OG-CA 3.31Å; S445-N501 WeakPolarHBondContact OG-CA 3.3Å; S445-N501 PolarHBondContact OG-O 3.41Å; V446-N501 PolarHBondContact N-OD1 3.16Å; F447-N501 PolarHBondContact N-OD1 3.03Å; R497-N501 PolarHBondContact O-N 2.89Å
502	Q	92.6	Very high	90.1	Very high	137 Å²	137	66.7 Å²	66.7	64%	0.64	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.9	174.6	-69	172.3	8	0	0	113.1	C498 A499 V500 N504	C498-Q502 VanDerWaalsContact O-CG 3.27Å; C498-Q502 WeakPolarHBondContact O-CG 3.47Å; C498-Q502 PolarHBondContact O-N 3.5Å; A499-Q502 CarbonylContact O-C 3.58Å; A499-Q502 PolarHBondContact O-N 3.49Å; V500-Q502 PolarHBondContact O-N 3.45Å; V500-Q502 VanDerWaalsContact O-N 3.15Å; Q502-N504 HydrophobicContact CB-CB 4.3Å; Q502-N504 PolarHBondContact O-N 2.89Å
503	Y	90.1	Very high	89.9	Confident	108 Å²	108	67.7 Å²	67.7	42%	0.424	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	16.2	-170.6	-62.2	-73.9	0	0	0	114.6	V446 E458 A499 V500	V446-Y503 HydrophobicContact CG2-CD1 4.39Å; V446-Y503 HydrophobicContact CG2-CE1 3.62Å; E458-Y503 HydrophobicContact CG-CE1 4.19Å; A499-Y503 PolarHBondContact O-N 2.8Å; V500-Y503 WeakPolarHBondContact O-CA 3.38Å; V500-Y503 PolarHBondContact O-N 3.46Å
504	N	89.2	Confident	89.8	Confident	126 Å²	126	67.7 Å²	67.7	67%	0.674	34%	0.343	S	S	*	.			trans	-109.1	66.4	-173.6	-173.4	2.3	0	0	0	110.1	A499 Q502	A499-N504 CarbonylContact O-C 3.58Å; A499-N504 PolarHBondContact O-N 2.59Å; Q502-N504 HydrophobicContact CB-CB 4.3Å; Q502-N504 PolarHBondContact O-N 2.89Å
505	Y	89	Confident	89.7	Confident	24 Å²	24	66.3 Å²	66.3	9%	0.094	34%	0.337	C	S	.	.			trans	-142.5	138.7	-175.9	69.7	-80.1	0	0	0	112.3	F465 V500 L507	F465-Y505 WeakPolarHBondContact CA-OH 3.43Å; F465-Y505 HydrophobicContact CD2-CE2 4.07Å; F465-Y505 PolarHBondContact N-OH 2.71Å; V500-Y505 HydrophobicContact CB-CD1 4.16Å; V500-Y505 HydrophobicContact CB-CE1 4.3Å; V500-Y505 HydrophobicContact CB-CG 4.46Å; V500-Y505 HydrophobicContact CG1-CD1 4.4Å; V500-Y505 HydrophobicContact CG1-CE1 4.02Å; V500-Y505 HydrophobicContact CG2-CD1 3.93Å; V500-Y505 HydrophobicContact CG2-CD2 3.9Å; V500-Y505 HydrophobicContact CG2-CE1 4.24Å; V500-Y505 HydrophobicContact CG2-CE2 4.21Å; V500-Y505 HydrophobicContact CG2-CG 3.74Å; Y505-L507 HydrophobicContact CD2-CD1 4.4Å; Y505-L507 HydrophobicContact CD2-CD2 3.74Å; Y505-L507 HydrophobicContact CD2-CG 3.85Å; Y505-L507 HydrophobicContact CE2-CD1 4.29Å; Y505-L507 HydrophobicContact CE2-CD2 4.41Å; Y505-L507 HydrophobicContact CE2-CG 4.18Å
506	S	87.4	Confident	89.7	Confident	71 Å²	71	59.9 Å²	59.9	50%	0.497	31%	0.31	S	S	.	.			trans	-122	128.7	162	175.6	0	0	0	0	107.6	W512	S506-W512 PolarHBondContact O-NE1 3.3Å
507	L	87.4	Confident	89.6	Confident	3 Å²	3	60 Å²	60	2%	0.016	31%	0.31	C	S	.	.	S	Bend	trans	-92.1	-20.6	-178.3	-56.6	-173.1	0	0	0	112.5	F465 R468 A469 A472 R476 L496 Y505 S509 L517	F465-L507 HydrophobicContact CD2-CD1 4.26Å; F465-L507 HydrophobicContact CE2-CD1 4.13Å; R468-L507 HydrophobicContact CB-CD1 3.82Å; R468-L507 HydrophobicContact CB-CG 4.49Å; A469-L507 HydrophobicContact CB-CD1 3.89Å; A472-L507 HydrophobicContact CB-CB 3.88Å; R476-L507 PolarHBondContact NH2-O 2.99Å; L496-L507 HydrophobicContact CD1-CD2 3.67Å; L496-L507 HydrophobicContact CD2-CD2 4.18Å; Y505-L507 HydrophobicContact CD2-CD1 4.4Å; Y505-L507 HydrophobicContact CD2-CD2 3.74Å; Y505-L507 HydrophobicContact CD2-CG 3.85Å; Y505-L507 HydrophobicContact CE2-CD1 4.29Å; Y505-L507 HydrophobicContact CE2-CD2 4.41Å; Y505-L507 HydrophobicContact CE2-CG 4.18Å; L507-S509 PolarHBondContact O-N 2.9Å; L507-L517 HydrophobicContact CB-CD2 4.23Å; L507-L517 HydrophobicContact CD2-CD2 4.02Å; L507-L517 HydrophobicContact CG-CD2 4.48Å
508	N	74.6	Confident	89.6	Confident	128 Å²	128	59.1 Å²	59.1	68%	0.684	31%	0.307	S	S	*	.	S	Bend	trans	-67.5	-25.5	-178.6	-60.1	17.5	0	0	0	112.1	R476	R476-N508 PolarHBondContact NH2-O 3.44Å
509	S	73.3	Confident	89.8	Confident	59 Å²	59	56.9 Å²	56.9	41%	0.413	29%	0.293	S	S	.	.	S	Bend	trans	-66.4	133.8	177.1	177.9	0	0	0	0	112.6	R476 L507 K511 W512	R476-S509 PolarHBondContact NH2-O 3.22Å; L507-S509 PolarHBondContact O-N 2.9Å; S509-K511 PolarHBondContact O-N 3.47Å; S509-K511 WeakPolarHBondContact OG-CB 3.31Å; S509-K511 PolarHBondContact OG-N 2.82Å; S509-W512 PolarHBondContact O-N 2.82Å
510	E	76.4	Confident	89.9	Confident	184 Å²	184	56 Å²	56	86%	0.86	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.8	176.6	-64.1	169.9	-174.7	0	0	114.3	W512	E510-W512 CarbonylContact O-C 3.56Å; E510-W512 PolarHBondContact O-N 2.9Å
511	K	83.9	Confident	90	Very high	152 Å²	152	56 Å²	56	66%	0.661	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-26.6	172.5	177.3	178.8	175.3	-179.1	0	114.6	S509	S509-K511 PolarHBondContact O-N 3.47Å; S509-K511 WeakPolarHBondContact OG-CB 3.31Å; S509-K511 PolarHBondContact OG-N 2.82Å
512	W	89	Confident	90.2	Very high	13 Å²	13	56.3 Å²	56.3	5%	0.049	29%	0.286	C	S	.	.	S	Bend	trans	-112.8	117.8	175.9	-41.6	111	0	0	0	109.1	R476 T492 K495 L496 S506 S509 E510 V516 L517	R476-W512 PolarHBondContact NH1-O 2.81Å; T492-W512 HydrophobicContact CG2-CE3 3.96Å; T492-W512 HydrophobicContact CG2-CZ3 4.03Å; K495-W512 HydrophobicContact CB-CZ3 4.34Å; L496-W512 HydrophobicContact CB-CD2 4.47Å; L496-W512 HydrophobicContact CB-CE3 4.01Å; L496-W512 HydrophobicContact CB-CH2 4Å; L496-W512 HydrophobicContact CB-CZ2 4.49Å; L496-W512 HydrophobicContact CB-CZ3 3.75Å; L496-W512 HydrophobicContact CD1-CD2 4.15Å; L496-W512 HydrophobicContact CD1-CE3 4.5Å; L496-W512 HydrophobicContact CD1-CH2 4.17Å; L496-W512 HydrophobicContact CD1-CZ2 3.81Å; L496-W512 HydrophobicContact CD2-CD2 4.27Å; L496-W512 HydrophobicContact CD2-CE3 4.4Å; L496-W512 HydrophobicContact CD2-CG 4.41Å; S506-W512 PolarHBondContact O-NE1 3.3Å; S509-W512 PolarHBondContact O-N 2.82Å; E510-W512 CarbonylContact O-C 3.56Å; E510-W512 PolarHBondContact O-N 2.9Å; W512-V516 HydrophobicContact CB-CG1 4.27Å; W512-V516 HydrophobicContact CE3-CG1 4.13Å; W512-L517 HydrophobicContact CB-CD2 3.92Å; W512-L517 HydrophobicContact CB-CG 4.38Å; W512-L517 HydrophobicContact CG-CD2 4.49Å
513	S	92.7	Very high	90.4	Very high	52 Å²	52	50.5 Å²	50.5	36%	0.364	26%	0.26	S	S	.	.			trans	-72.3	167.7	174.4	75.2	0	0	0	0	112.1	E515 V516 L517	S513-E515 VanDerWaalsContact C-N 3.3Å; S513-E515 WeakPolarHBondContact CB-OE2 3.42Å; S513-E515 PolarHBondContact O-N 3.45Å; S513-E515 PolarHBondContact OG-OE2 3.09Å; S513-V516 WeakPolarHBondContact O-CB 3.38Å; S513-V516 PolarHBondContact O-N 2.93Å; S513-V516 WeakPolarHBondContact OG-CG2 3.49Å; S513-V516 PolarHBondContact OG-N 2.79Å; S513-L517 PolarHBondContact O-N 3.35Å
514	L	93.9	Very high	90.8	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-36.9	-179.1	-173.7	62.1	0	0	0	112.4	I473 R476 H480 I483 V516 L517 T518	I473-L514 HydrophobicContact CB-CD1 4.23Å; I473-L514 HydrophobicContact CG1-CD1 4.15Å; I473-L514 HydrophobicContact CG2-CD1 4Å; R476-L514 HydrophobicContact CB-CD1 4.17Å; H480-L514 HydrophobicContact CB-CD2 3.47Å; H480-L514 VanDerWaalsContact CB-CD2 3.47Å; I483-L514 HydrophobicContact CD1-CD2 4.43Å; L514-V516 VanDerWaalsContact C-N 3.29Å; L514-V516 PolarHBondContact O-N 2.85Å; L514-L517 PolarHBondContact O-N 2.84Å; L514-T518 HydrophobicContact CD1-CG2 4.44Å; L514-T518 WeakPolarHBondContact O-CB 3.36Å; L514-T518 VanDerWaalsContact O-CG2 3.32Å; L514-T518 WeakPolarHBondContact O-CG2 3.35Å; L514-T518 PolarHBondContact O-N 2.84Å; L514-T518 PolarHBondContact O-OG1 3.36Å
515	E	95.2	Very high	91.2	Very high	62 Å²	62	39.3 Å²	39.3	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-73.2	-22	176.8	-36.8	89.5	144.9	0	0	112.3	G488 S513 T518 G519	G488-E515 WeakPolarHBondContact CA-O 3.49Å; G488-E515 VanDerWaalsContact N-CB 3.34Å; G488-E515 PolarHBondContact N-O 3.49Å; G488-E515 VanDerWaalsContact N-O 3.08Å; S513-E515 VanDerWaalsContact C-N 3.3Å; S513-E515 WeakPolarHBondContact CB-OE2 3.42Å; S513-E515 PolarHBondContact O-N 3.45Å; S513-E515 PolarHBondContact OG-OE2 3.09Å; E515-T518 VanDerWaalsContact CA-OG1 3.31Å; E515-T518 WeakPolarHBondContact CA-OG1 3.22Å; E515-G519 WeakPolarHBondContact O-CA 3.42Å; E515-G519 PolarHBondContact O-N 3.39Å
516	V	96.1	Very high	91.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-79.2	-41.3	170.6	171.6	0	0	0	0	111	T492 I493 L496 W512 S513 L514 G519 A520	T492-V516 HydrophobicContact CG2-CG1 3.99Å; T492-V516 HydrophobicContact CG2-CG2 3.97Å; I493-V516 HydrophobicContact CG1-CB 4.4Å; I493-V516 HydrophobicContact CG1-CG1 4.13Å; I493-V516 HydrophobicContact CG1-CG2 4.39Å; L496-V516 HydrophobicContact CD2-CG1 4.19Å; W512-V516 HydrophobicContact CB-CG1 4.27Å; W512-V516 HydrophobicContact CE3-CG1 4.13Å; S513-V516 WeakPolarHBondContact O-CB 3.38Å; S513-V516 PolarHBondContact O-N 2.93Å; S513-V516 WeakPolarHBondContact OG-CG2 3.49Å; S513-V516 PolarHBondContact OG-N 2.79Å; L514-V516 VanDerWaalsContact C-N 3.29Å; L514-V516 PolarHBondContact O-N 2.85Å; V516-G519 PolarHBondContact O-N 2.7Å; V516-A520 VanDerWaalsContact O-CB 3.28Å; V516-A520 WeakPolarHBondContact O-CB 3.37Å; V516-A520 PolarHBondContact O-N 2.85Å
517	L	95.6	Very high	92.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-53.7	174.3	-69	-169.6	0	0	0	111.5	A472 I473 R476 L496 L507 W512 S513 L514 G519 A520 L521	A472-L517 HydrophobicContact CB-CD1 3.59Å; I473-L517 HydrophobicContact CD1-CB 4.05Å; I473-L517 HydrophobicContact CG1-CB 3.71Å; I473-L517 HydrophobicContact CG1-CD1 4.03Å; R476-L517 VanDerWaalsContact NH1-CD1 3.33Å; L496-L517 HydrophobicContact CD2-CD2 4.06Å; L507-L517 HydrophobicContact CB-CD2 4.23Å; L507-L517 HydrophobicContact CD2-CD2 4.02Å; L507-L517 HydrophobicContact CG-CD2 4.48Å; W512-L517 HydrophobicContact CB-CD2 3.92Å; W512-L517 HydrophobicContact CB-CG 4.38Å; W512-L517 HydrophobicContact CG-CD2 4.49Å; S513-L517 PolarHBondContact O-N 3.35Å; L514-L517 PolarHBondContact O-N 2.84Å; L517-G519 PolarHBondContact O-N 2.73Å; L517-A520 PolarHBondContact O-N 3.01Å; L517-A520 VanDerWaalsContact O-N 3.16Å; L517-L521 PolarHBondContact O-N 3.2Å
518	T	97.1	Very high	92.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-35	176.4	55.8	0	0	0	0	111.5	I473 I483 Y484 L514 E515 K522	I473-T518 HydrophobicContact CD1-CG2 3.86Å; I473-T518 HydrophobicContact CG1-CG2 4.14Å; I473-T518 HydrophobicContact CG2-CG2 4.22Å; I483-T518 HydrophobicContact CG1-CG2 3.98Å; Y484-T518 VanDerWaalsContact CD1-CB 3.42Å; Y484-T518 HydrophobicContact CD1-CG2 3.68Å; Y484-T518 HydrophobicContact CD2-CG2 4.32Å; Y484-T518 HydrophobicContact CE1-CG2 3.59Å; Y484-T518 HydrophobicContact CE2-CG2 4.23Å; Y484-T518 HydrophobicContact CG-CG2 4.07Å; L514-T518 HydrophobicContact CD1-CG2 4.44Å; L514-T518 WeakPolarHBondContact O-CB 3.36Å; L514-T518 VanDerWaalsContact O-CG2 3.32Å; L514-T518 WeakPolarHBondContact O-CG2 3.35Å; L514-T518 PolarHBondContact O-N 2.84Å; L514-T518 PolarHBondContact O-OG1 3.36Å; E515-T518 VanDerWaalsContact CA-OG1 3.31Å; E515-T518 WeakPolarHBondContact CA-OG1 3.22Å; T518-K522 WeakPolarHBondContact O-CB 3.3Å; T518-K522 WeakPolarHBondContact O-CE 3.35Å; T518-K522 VanDerWaalsContact O-CG 3.3Å; T518-K522 WeakPolarHBondContact O-CG 3.45Å; T518-K522 PolarHBondContact O-N 2.97Å
519	G	97.5	Very high	93.4	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-45	171.8	0	0	0	0	0	113.8	E515 V516 L517 L523	E515-G519 WeakPolarHBondContact O-CA 3.42Å; E515-G519 PolarHBondContact O-N 3.39Å; V516-G519 PolarHBondContact O-N 2.7Å; L517-G519 PolarHBondContact O-N 2.73Å; G519-L523 WeakPolarHBondContact O-CB 3.36Å; G519-L523 PolarHBondContact O-N 2.98Å
520	A	97.5	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.3	-33.9	178.5	0	0	0	0	0	112.8	F465 I493 L496 V516 L517 L523 F524	F465-A520 HydrophobicContact CZ-CB 3.98Å; I493-A520 HydrophobicContact CG2-CB 4.13Å; L496-A520 HydrophobicContact CD2-CB 3.71Å; L496-A520 HydrophobicContact CG-CB 4.24Å; V516-A520 VanDerWaalsContact O-CB 3.28Å; V516-A520 WeakPolarHBondContact O-CB 3.37Å; V516-A520 PolarHBondContact O-N 2.85Å; L517-A520 PolarHBondContact O-N 3.01Å; L517-A520 VanDerWaalsContact O-N 3.16Å; A520-L523 PolarHBondContact O-N 3.48Å; A520-F524 WeakPolarHBondContact O-CB 3.35Å; A520-F524 PolarHBondContact O-N 3.4Å
521	L	97.4	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.2	-41	175.1	-171.3	57	0	0	0	111.7	F465 I466 A469 I470 I473 Y484 L517 L523 F524 F525 F577	F465-L521 HydrophobicContact CE1-CD1 4.17Å; I466-L521 HydrophobicContact CB-CD1 4.4Å; I466-L521 HydrophobicContact CG1-CD1 4.17Å; I466-L521 HydrophobicContact CG2-CD1 4.27Å; A469-L521 HydrophobicContact CB-CD1 4.33Å; A469-L521 HydrophobicContact CB-CD2 4.28Å; I470-L521 HydrophobicContact CG1-CD2 4.14Å; I473-L521 HydrophobicContact CD1-CD2 4.07Å; Y484-L521 HydrophobicContact CE1-CD2 4.4Å; L517-L521 PolarHBondContact O-N 3.2Å; L521-L523 VanDerWaalsContact C-N 3.33Å; L521-L523 PolarHBondContact O-N 3.12Å; L521-F524 PolarHBondContact O-N 3.15Å; L521-F525 HydrophobicContact CD1-CD2 4.33Å; L521-F525 HydrophobicContact CD1-CE2 3.7Å; L521-F525 HydrophobicContact CD1-CZ 4.33Å; L521-F525 HydrophobicContact CG-CD2 4.44Å; L521-F525 HydrophobicContact CG-CE2 3.94Å; L521-F525 VanDerWaalsContact O-CD2 3.25Å; L521-F525 WeakPolarHBondContact O-CD2 3.32Å; L521-F525 PolarHBondContact O-N 2.89Å; L521-F577 HydrophobicContact CD2-CD2 4.4Å; L521-F577 HydrophobicContact CD2-CE2 3.91Å; L521-F577 HydrophobicContact CG-CE2 4.31Å
522	K	97.6	Very high	96.2	Very high	29 Å²	29	25.9 Å²	25.9	13%	0.126	12%	0.122	C	C	.	.	H	α-helix	trans	-58.5	-43.4	167.6	-74.8	177.8	-64.9	179.7	0	111.9	Y484 S486 T518 F524 R526 V601 F602	Y484-K522 HydrophobicContact CD1-CD 4.37Å; Y484-K522 HydrophobicContact CD1-CG 4.22Å; Y484-K522 WeakPolarHBondContact O-CE 3.27Å; Y484-K522 PolarHBondContact O-NZ 3.04Å; S486-K522 PolarHBondContact O-NZ 3.45Å; S486-K522 VanDerWaalsContact O-NZ 3.13Å; T518-K522 WeakPolarHBondContact O-CB 3.3Å; T518-K522 WeakPolarHBondContact O-CE 3.35Å; T518-K522 VanDerWaalsContact O-CG 3.3Å; T518-K522 WeakPolarHBondContact O-CG 3.45Å; T518-K522 PolarHBondContact O-N 2.97Å; K522-F524 VanDerWaalsContact C-N 3.34Å; K522-R526 WeakPolarHBondContact O-CB 3.23Å; K522-R526 PolarHBondContact O-N 2.93Å; K522-V601 HydrophobicContact CD-CG1 3.65Å; K522-V601 HydrophobicContact CG-CG1 4.42Å; K522-F602 HydrophobicContact CG-CE1 3.7Å; K522-F602 HydrophobicContact CG-CZ 3.89Å
523	L	97.8	Very high	96.6	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-40	178.9	-175.4	64.8	0	0	0	111.9	F447 I493 R497 G519 A520 L521 R526 E527	F447-L523 HydrophobicContact CD1-CG 4.33Å; F447-L523 HydrophobicContact CE1-CB 4.11Å; F447-L523 HydrophobicContact CE1-CD2 4.16Å; F447-L523 HydrophobicContact CE1-CG 4Å; I493-L523 HydrophobicContact CG2-CB 4.35Å; I493-L523 HydrophobicContact CG2-CD2 3.65Å; R497-L523 HydrophobicContact CB-CD2 4.37Å; R497-L523 HydrophobicContact CG-CD2 4.36Å; G519-L523 WeakPolarHBondContact O-CB 3.36Å; G519-L523 PolarHBondContact O-N 2.98Å; A520-L523 PolarHBondContact O-N 3.48Å; L521-L523 VanDerWaalsContact C-N 3.33Å; L521-L523 PolarHBondContact O-N 3.12Å; L523-R526 PolarHBondContact O-N 3.16Å; L523-E527 HydrophobicContact CD1-CG 3.96Å; L523-E527 VanDerWaalsContact CD1-OE1 3.29Å; L523-E527 WeakPolarHBondContact CD1-OE1 3.29Å; L523-E527 HydrophobicContact CG-CG 4.29Å; L523-E527 WeakPolarHBondContact O-CB 3.39Å; L523-E527 WeakPolarHBondContact O-CG 3.5Å; L523-E527 PolarHBondContact O-N 3.29Å
524	F	98.4	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.7	-57.2	-179.7	171.4	-89.8	0	0	0	111.2	V446 F447 I454 P463 F465 I466 A520 L521 K522 R526 E527 L528	V446-F524 HydrophobicContact CG1-CD2 4.26Å; V446-F524 HydrophobicContact CG1-CE2 3.81Å; F447-F524 HydrophobicContact CD1-CB 4.18Å; F447-F524 HydrophobicContact CD1-CD2 4.42Å; F447-F524 HydrophobicContact CD2-CD2 4.45Å; F447-F524 VanDerWaalsContact CE1-CA 3.41Å; F447-F524 HydrophobicContact CE1-CB 3.65Å; F447-F524 HydrophobicContact CE1-CD2 4.46Å; F447-F524 HydrophobicContact CE2-CD2 4.44Å; F447-F524 HydrophobicContact CG-CD2 4.43Å; F447-F524 HydrophobicContact CZ-CB 3.94Å; F447-F524 HydrophobicContact CZ-CD2 4.46Å; I454-F524 HydrophobicContact CD1-CE2 3.71Å; I454-F524 HydrophobicContact CD1-CZ 3.62Å; P463-F524 HydrophobicContact CB-CZ 4.21Å; P463-F524 HydrophobicContact CG-CZ 4.2Å; F465-F524 HydrophobicContact CD1-CB 4.09Å; F465-F524 AromaticContact CD1-CD2 3.8Å; F465-F524 HydrophobicContact CD1-CD2 3.8Å; F465-F524 HydrophobicContact CD1-CE2 4.48Å; F465-F524 AromaticContact CD1-CG 3.93Å; F465-F524 HydrophobicContact CD1-CG 3.93Å; F465-F524 HydrophobicContact CE1-CB 3.71Å; F465-F524 HydrophobicContact CE1-CD2 4.28Å; F465-F524 HydrophobicContact CE1-CG 4.08Å; I466-F524 HydrophobicContact CD1-CD1 4.14Å; I466-F524 HydrophobicContact CD1-CE1 3.47Å; I466-F524 VanDerWaalsContact CD1-CE1 3.47Å; I466-F524 HydrophobicContact CD1-CZ 4.03Å; I466-F524 HydrophobicContact CG1-CD1 4.05Å; I466-F524 HydrophobicContact CG1-CE1 3.79Å; I466-F524 HydrophobicContact CG1-CZ 4.27Å; A520-F524 WeakPolarHBondContact O-CB 3.35Å; A520-F524 PolarHBondContact O-N 3.4Å; L521-F524 PolarHBondContact O-N 3.15Å; K522-F524 VanDerWaalsContact C-N 3.34Å; F524-R526 VanDerWaalsContact C-N 3.33Å; F524-R526 PolarHBondContact O-N 3.44Å; F524-E527 PolarHBondContact O-N 2.78Å; F524-E527 VanDerWaalsContact O-N 3.16Å; F524-L528 HydrophobicContact CE1-CD1 4.29Å; F524-L528 HydrophobicContact CE1-CD2 3.98Å; F524-L528 HydrophobicContact CE1-CG 4.36Å; F524-L528 HydrophobicContact CE2-CD2 4.41Å; F524-L528 HydrophobicContact CZ-CD2 3.83Å; F524-L528 PolarHBondContact O-N 3.23Å
525	F	98.3	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-40.3	-178	-66.2	-69.5	0	0	0	112.1	I466 L521 E527 L528 L532 T573 F577 S605 L606 W608	I466-F525 HydrophobicContact CD1-CE1 3.9Å; I466-F525 HydrophobicContact CD1-CZ 3.96Å; I466-F525 HydrophobicContact CG1-CZ 4.33Å; I466-F525 HydrophobicContact CG2-CZ 4.28Å; L521-F525 HydrophobicContact CD1-CD2 4.33Å; L521-F525 HydrophobicContact CD1-CE2 3.7Å; L521-F525 HydrophobicContact CD1-CZ 4.33Å; L521-F525 HydrophobicContact CG-CD2 4.44Å; L521-F525 HydrophobicContact CG-CE2 3.94Å; L521-F525 VanDerWaalsContact O-CD2 3.25Å; L521-F525 WeakPolarHBondContact O-CD2 3.32Å; L521-F525 PolarHBondContact O-N 2.89Å; F525-E527 PolarHBondContact O-N 3.41Å; F525-L528 HydrophobicContact CD1-CD1 4.03Å; F525-L528 WeakPolarHBondContact O-CB 3.49Å; F525-L528 PolarHBondContact O-N 3.16Å; F525-L532 HydrophobicContact CD1-CB 4.34Å; F525-L532 HydrophobicContact CD1-CD2 4.33Å; F525-L532 HydrophobicContact CE1-CD1 4.4Å; F525-L532 HydrophobicContact CE1-CD2 3.92Å; F525-T573 HydrophobicContact CE1-CG2 3.94Å; F525-T573 HydrophobicContact CZ-CG2 4.39Å; F525-F577 HydrophobicContact CE2-CD1 4.25Å; F525-F577 AromaticContact CE2-CD2 3.62Å; F525-F577 HydrophobicContact CE2-CD2 3.62Å; F525-F577 HydrophobicContact CE2-CE1 4.22Å; F525-F577 AromaticContact CE2-CE2 3.61Å; F525-F577 HydrophobicContact CE2-CE2 3.61Å; F525-F577 AromaticContact CE2-CG 3.97Å; F525-F577 HydrophobicContact CE2-CG 3.97Å; F525-F577 AromaticContact CE2-CZ 3.93Å; F525-F577 HydrophobicContact CE2-CZ 3.93Å; F525-F577 HydrophobicContact CZ-CB 4.26Å; F525-F577 HydrophobicContact CZ-CD1 4.22Å; F525-F577 AromaticContact CZ-CD2 3.74Å; F525-F577 HydrophobicContact CZ-CD2 3.74Å; F525-F577 HydrophobicContact CZ-CE2 4.22Å; F525-F577 AromaticContact CZ-CG 3.76Å; F525-F577 HydrophobicContact CZ-CG 3.76Å; F525-S605 CarbonylContact C-O 3.35Å; F525-S605 WeakPolarHBondContact CB-O 3.33Å; F525-L606 HydrophobicContact CB-CD2 3.86Å; F525-L606 HydrophobicContact CD1-CD2 3.94Å; F525-L606 HydrophobicContact CD2-CD2 3.94Å; F525-L606 HydrophobicContact CE1-CD2 4.45Å; F525-L606 HydrophobicContact CE2-CD2 4.44Å; F525-L606 HydrophobicContact CG-CD2 3.67Å; F525-W608 WeakPolarHBondContact O-CH2 3.44Å
526	R	96.9	Very high	96.9	Very high	148 Å²	148	27.4 Å²	27.4	56%	0.558	12%	0.121	S	C	*	.	H	α-helix	trans	-67.8	-19.4	178.3	-163.4	-171.3	68.8	-172	1.9	114.2	K522 L523 F524	K522-R526 WeakPolarHBondContact O-CB 3.23Å; K522-R526 PolarHBondContact O-N 2.93Å; L523-R526 PolarHBondContact O-N 3.16Å; F524-R526 VanDerWaalsContact C-N 3.33Å; F524-R526 PolarHBondContact O-N 3.44Å
527	E	96.8	Very high	96.9	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.234	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.4	176.9	-74.2	-173.3	177.5	0	0	113.5	F447 A448 R497 L523 F524 F525	F447-E527 WeakPolarHBondContact CD1-OE2 3.28Å; A448-E527 VanDerWaalsContact CA-O 3.28Å; A448-E527 WeakPolarHBondContact CA-O 3.48Å; R497-E527 IonicContact CZ-OE1 3.85Å; R497-E527 IonicContact CZ-OE2 3Å; R497-E527 IonicContact NE-OE1 3.14Å; R497-E527 PolarHBondContact NE-OE1 3.04Å; R497-E527 IonicContact NE-OE2 2.88Å; R497-E527 PolarHBondContact NE-OE2 2.93Å; R497-E527 IonicContact NH2-OE1 2.68Å; R497-E527 IonicContact NH2-OE2 3.51Å; R497-E527 PolarHBondContact NH2-OE2 3.11Å; L523-E527 HydrophobicContact CD1-CG 3.96Å; L523-E527 VanDerWaalsContact CD1-OE1 3.29Å; L523-E527 WeakPolarHBondContact CD1-OE1 3.29Å; L523-E527 HydrophobicContact CG-CG 4.29Å; L523-E527 WeakPolarHBondContact O-CB 3.39Å; L523-E527 WeakPolarHBondContact O-CG 3.5Å; L523-E527 PolarHBondContact O-N 3.29Å; F524-E527 PolarHBondContact O-N 2.78Å; F524-E527 VanDerWaalsContact O-N 3.16Å; F525-E527 PolarHBondContact O-N 3.41Å
528	L	97	Very high	96.8	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.042	12%	0.123	C	C	.	.			trans	-60.1	143.6	173.9	-65.9	171.5	0	0	0	110.8	S449 I451 I454 F524 F525 E530 W608	S449-L528 WeakPolarHBondContact O-CA 3.45Å; I451-L528 HydrophobicContact CD1-CD1 3.8Å; I451-L528 HydrophobicContact CG1-CD1 3.7Å; I451-L528 HydrophobicContact CG1-CD2 3.94Å; I451-L528 HydrophobicContact CG1-CG 4.47Å; I454-L528 HydrophobicContact CD1-CD2 4.32Å; F524-L528 HydrophobicContact CE1-CD1 4.29Å; F524-L528 HydrophobicContact CE1-CD2 3.98Å; F524-L528 HydrophobicContact CE1-CG 4.36Å; F524-L528 HydrophobicContact CE2-CD2 4.41Å; F524-L528 HydrophobicContact CZ-CD2 3.83Å; F524-L528 PolarHBondContact O-N 3.23Å; F525-L528 HydrophobicContact CD1-CD1 4.03Å; F525-L528 WeakPolarHBondContact O-CB 3.49Å; F525-L528 PolarHBondContact O-N 3.16Å; L528-E530 WeakPolarHBondContact CB-O 3.47Å; L528-E530 PolarHBondContact O-N 2.86Å; L528-W608 WeakPolarHBondContact O-CZ2 3.46Å
529	K	94.3	Very high	96.7	Very high	87 Å²	87	31.6 Å²	31.6	38%	0.378	15%	0.146	S	C	.	.	S	Bend	trans	-67	-24.9	175.3	-63	171.7	-171.2	151.1	0	112.8	N443 A448 S449 T450	N443-K529 PolarHBondContact ND2-NZ 2.83Å; N443-K529 VanDerWaalsContact ND2-NZ 3.15Å; A448-K529 WeakPolarHBondContact O-CE 3.37Å; S449-K529 PolarHBondContact O-N 3Å; T450-K529 HydrophobicContact CG2-CB 3.96Å; T450-K529 HydrophobicContact CG2-CD 4.12Å
530	E	95.1	Very high	96.6	Very high	45 Å²	45	34.9 Å²	34.9	21%	0.21	16%	0.159	C	C	.	.	S	Bend	trans	-133.9	136.9	174.7	179.7	175.1	-164.9	0	0	107.9	L528 T534 F535	L528-E530 WeakPolarHBondContact CB-O 3.47Å; L528-E530 PolarHBondContact O-N 2.86Å; E530-T534 WeakPolarHBondContact OE1-CB 3.3Å; E530-T534 WeakPolarHBondContact OE1-CG2 3.25Å; E530-F535 HydrophobicContact CB-CD2 4.29Å; E530-F535 HydrophobicContact CB-CE2 4.02Å; E530-F535 HydrophobicContact CG-CD2 3.72Å; E530-F535 HydrophobicContact CG-CE2 3.93Å; E530-F535 HydrophobicContact CG-CG 4.26Å; E530-F535 PolarHBondContact OE1-N 3.38Å
531	P	97.2	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.159	C	C	.	.			trans	-57.3	159.8	178.1	19	-30.8	0	0	0	113.8	I533 F535 H570 L606 W608	P531-I533 VanDerWaalsContact C-N 3.31Å; P531-I533 VanDerWaalsContact CB-O 3.28Å; P531-I533 WeakPolarHBondContact CB-O 3.38Å; P531-I533 WeakPolarHBondContact CG-O 3.25Å; P531-I533 PolarHBondContact O-N 3.4Å; P531-F535 VanDerWaalsContact CD-CZ 3.4Å; P531-F535 HydrophobicContact CG-CD1 3.75Å; P531-F535 HydrophobicContact CG-CE1 3.72Å; P531-F535 HydrophobicContact CG-CG 4.42Å; P531-F535 HydrophobicContact CG-CZ 4.35Å; P531-H570 PolarHBondContact O-CE1 2.95Å; P531-H570 VanDerWaalsContact O-CE1 3.29Å; P531-H570 PolarHBondContact O-ND1 3.11Å; P531-L606 WeakPolarHBondContact CB-O 3.19Å; P531-W608 HydrophobicContact CB-CD2 3.86Å; P531-W608 HydrophobicContact CB-CE3 3.74Å; P531-W608 HydrophobicContact CB-CH2 3.91Å; P531-W608 HydrophobicContact CB-CZ2 4.04Å; P531-W608 HydrophobicContact CB-CZ3 3.76Å; P531-W608 HydrophobicContact CG-CD2 4.12Å; P531-W608 HydrophobicContact CG-CE3 4.49Å; P531-W608 HydrophobicContact CG-CG 4.45Å; P531-W608 HydrophobicContact CG-CZ2 4.36Å
532	L	98.1	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-59.7	-45.2	174.5	178.3	61.9	0	0	0	110.7	I451 F525 H570 T573 S574 F577 L606	I451-L532 HydrophobicContact CD1-CD1 3.48Å; I451-L532 VanDerWaalsContact CD1-CD1 3.48Å; F525-L532 HydrophobicContact CD1-CB 4.34Å; F525-L532 HydrophobicContact CD1-CD2 4.33Å; F525-L532 HydrophobicContact CE1-CD1 4.4Å; F525-L532 HydrophobicContact CE1-CD2 3.92Å; L532-H570 PolarHBondContact O-ND1 2.87Å; L532-T573 HydrophobicContact CD1-CG2 3.63Å; L532-S574 WeakPolarHBondContact CD1-OG 3.44Å; L532-S574 WeakPolarHBondContact CG-OG 3.42Å; L532-F577 HydrophobicContact CD2-CD1 4.44Å; L532-L606 HydrophobicContact CB-CD2 4.21Å; L532-L606 HydrophobicContact CD2-CD2 3.86Å; L532-L606 PolarHBondContact N-O 3.12Å; L532-L606 VanDerWaalsContact N-O 3.13Å
533	I	97.5	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-85.9	106.7	166.1	-47.5	-54.3	0	0	0	107.4	P531 V537 I563 M566 F578 L606 I607 L630	P531-I533 VanDerWaalsContact C-N 3.31Å; P531-I533 VanDerWaalsContact CB-O 3.28Å; P531-I533 WeakPolarHBondContact CB-O 3.38Å; P531-I533 WeakPolarHBondContact CG-O 3.25Å; P531-I533 PolarHBondContact O-N 3.4Å; I533-V537 HydrophobicContact CG2-CB 4.34Å; I533-V537 HydrophobicContact CG2-CG1 3.88Å; I533-I563 HydrophobicContact CD1-CD1 3.73Å; I533-M566 HydrophobicContact CD1-CE 4.18Å; I533-M566 HydrophobicContact CD1-SD 4.48Å; I533-M566 HydrophobicContact CG2-SD 4.35Å; I533-F578 HydrophobicContact CD1-CE2 4.46Å; I533-L606 PolarHBondContact N-O 2.85Å; I533-I607 HydrophobicContact CB-CB 4.05Å; I533-I607 HydrophobicContact CB-CD1 4.24Å; I533-I607 HydrophobicContact CB-CG1 4.2Å; I533-I607 HydrophobicContact CG1-CB 4.26Å; I533-I607 HydrophobicContact CG2-CD1 4.05Å; I533-I607 HydrophobicContact CG2-CG1 4.46Å; I533-L630 HydrophobicContact CD1-CD1 4.11Å
534	T	97.1	Very high	96	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.031	21%	0.206	C	C	.	.			trans	-58.6	157.4	-165.1	55	0	0	0	0	114.5	E530 K536 V537 Y538 M566 H570	E530-T534 WeakPolarHBondContact OE1-CB 3.3Å; E530-T534 WeakPolarHBondContact OE1-CG2 3.25Å; T534-K536 PolarHBondContact O-N 2.89Å; T534-V537 PolarHBondContact O-N 2.96Å; T534-V537 WeakPolarHBondContact OG1-CG2 3.17Å; T534-Y538 PolarHBondContact O-N 3.41Å; T534-Y538 VanDerWaalsContact O-N 3.14Å; T534-M566 HydrophobicContact CG2-CB 4.4Å; T534-M566 HydrophobicContact CG2-CG 4.27Å; T534-M566 HydrophobicContact CG2-SD 4.14Å; T534-H570 WeakPolarHBondContact CG2-ND1 3.27Å
535	F	95.8	Very high	95.7	Very high	43 Å²	43	45.5 Å²	45.5	19%	0.189	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.4	178.7	-69.3	-47.9	0	0	0	112.6	E530 P531 V537 Y538 P539 W608 E610	E530-F535 HydrophobicContact CB-CD2 4.29Å; E530-F535 HydrophobicContact CB-CE2 4.02Å; E530-F535 HydrophobicContact CG-CD2 3.72Å; E530-F535 HydrophobicContact CG-CE2 3.93Å; E530-F535 HydrophobicContact CG-CG 4.26Å; E530-F535 PolarHBondContact OE1-N 3.38Å; P531-F535 VanDerWaalsContact CD-CZ 3.4Å; P531-F535 HydrophobicContact CG-CD1 3.75Å; P531-F535 HydrophobicContact CG-CE1 3.72Å; P531-F535 HydrophobicContact CG-CG 4.42Å; P531-F535 HydrophobicContact CG-CZ 4.35Å; F535-V537 VanDerWaalsContact C-N 3.33Å; F535-V537 PolarHBondContact O-N 2.92Å; F535-Y538 PolarHBondContact O-N 2.94Å; F535-P539 WeakPolarHBondContact O-CD 3.47Å; F535-W608 WeakPolarHBondContact CD1-O 3.46Å; F535-W608 AromaticContact CE1-CD1 3.65Å; F535-W608 AromaticContact CE1-NE1 3.55Å; F535-W608 AromaticContact CZ-NE1 3.72Å; F535-E610 HydrophobicContact CB-CB 4.14Å; F535-E610 HydrophobicContact CD1-CB 3.77Å; F535-E610 HydrophobicContact CD1-CG 4.48Å; F535-E610 HydrophobicContact CD2-CB 4.21Å; F535-E610 HydrophobicContact CD2-CG 4.09Å; F535-E610 HydrophobicContact CE1-CB 4.16Å; F535-E610 HydrophobicContact CE2-CG 4.3Å; F535-E610 HydrophobicContact CG-CB 3.8Å; F535-E610 HydrophobicContact CG-CG 4.19Å
536	K	95.5	Very high	95.4	Very high	130 Å²	130	48 Å²	48	57%	0.565	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-42.2	174.6	-175.8	-165.1	166.5	-154	0	112.4	T534 P539	T534-K536 PolarHBondContact O-N 2.89Å; K536-P539 WeakPolarHBondContact O-CD 3.24Å
537	V	96.1	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-22.6	-173.4	170.3	0	0	0	0	112.3	I533 T534 F535 E540 V541 L562 S565 M566	I533-V537 HydrophobicContact CG2-CB 4.34Å; I533-V537 HydrophobicContact CG2-CG1 3.88Å; T534-V537 PolarHBondContact O-N 2.96Å; T534-V537 WeakPolarHBondContact OG1-CG2 3.17Å; F535-V537 VanDerWaalsContact C-N 3.33Å; F535-V537 PolarHBondContact O-N 2.92Å; V537-E540 PolarHBondContact O-N 3.16Å; V537-V541 HydrophobicContact CG1-CG2 3.62Å; V537-V541 WeakPolarHBondContact O-CG2 3.44Å; V537-V541 PolarHBondContact O-N 2.91Å; V537-L562 HydrophobicContact CG1-CB 4.13Å; V537-S565 WeakPolarHBondContact CG2-OG 3.47Å; V537-M566 HydrophobicContact CG2-CG 3.8Å
538	Y	94.7	Very high	94.7	Very high	20 Å²	20	48.1 Å²	48.1	8%	0.078	25%	0.251	C	S	.	.	H	α-helix	trans	-46.4	-55.3	177.2	-173.8	-74.3	0	0	0	114.6	T534 F535 E540 V541 D542 I607 W608 P609 V622	T534-Y538 PolarHBondContact O-N 3.41Å; T534-Y538 VanDerWaalsContact O-N 3.14Å; F535-Y538 PolarHBondContact O-N 2.94Å; Y538-E540 PolarHBondContact O-N 3.19Å; Y538-V541 PolarHBondContact O-N 2.65Å; Y538-D542 PolarHBondContact O-N 2.91Å; Y538-I607 HydrophobicContact CD2-CD1 3.98Å; Y538-I607 HydrophobicContact CD2-CG1 3.48Å; Y538-I607 VanDerWaalsContact CD2-CG1 3.48Å; Y538-I607 HydrophobicContact CE2-CD1 4.34Å; Y538-I607 HydrophobicContact CE2-CG1 3.84Å; Y538-W608 WeakPolarHBondContact CD2-O 3.48Å; Y538-P609 HydrophobicContact CD1-CB 4.15Å; Y538-P609 HydrophobicContact CD2-CB 4.45Å; Y538-P609 HydrophobicContact CE1-CB 4Å; Y538-P609 HydrophobicContact CE2-CB 4.3Å; Y538-P609 HydrophobicContact CE2-CG 4.42Å; Y538-P609 HydrophobicContact CG-CB 4.41Å; Y538-V622 HydrophobicContact CE1-CG1 4.43Å; Y538-V622 HydrophobicContact CE1-CG2 4.38Å; Y538-V622 HydrophobicContact CE2-CG1 4.33Å; Y538-V622 WeakPolarHBondContact OH-CG2 3.17Å
539	P	93.4	Very high	94.5	Very high	75 Å²	75	55.5 Å²	55.5	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-68.2	-32.7	-177.4	27	-36.4	0	0	0	113.3	F535 K536 V541 D542 Q543	F535-P539 WeakPolarHBondContact O-CD 3.47Å; K536-P539 WeakPolarHBondContact O-CD 3.24Å; P539-V541 VanDerWaalsContact C-N 3.33Å; P539-D542 PolarHBondContact O-N 2.9Å; P539-Q543 PolarHBondContact O-N 3.05Å
540	E	95.6	Very high	94.3	Very high	77 Å²	77	52.8 Å²	52.8	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-35.6	177.2	-55.6	-174	-118.2	0	0	110.7	V537 Y538 L544 L562	V537-E540 PolarHBondContact O-N 3.16Å; Y538-E540 PolarHBondContact O-N 3.19Å; E540-L544 VanDerWaalsContact O-CB 3.26Å; E540-L544 WeakPolarHBondContact O-CB 3.41Å; E540-L544 PolarHBondContact O-N 3.03Å; E540-L562 HydrophobicContact CB-CD1 3.94Å; E540-L562 HydrophobicContact CB-CD2 3.54Å; E540-L562 HydrophobicContact CB-CG 4.4Å; E540-L562 HydrophobicContact CG-CD2 4.24Å; E540-L562 VanDerWaalsContact OE2-CD2 3.24Å; E540-L562 WeakPolarHBondContact OE2-CD2 3.16Å
541	V	95.4	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-41.3	172.9	168	0	0	0	0	112.3	V537 Y538 P539 L544 L545 M559 L562 I607 V622 C626	V537-V541 HydrophobicContact CG1-CG2 3.62Å; V537-V541 WeakPolarHBondContact O-CG2 3.44Å; V537-V541 PolarHBondContact O-N 2.91Å; Y538-V541 PolarHBondContact O-N 2.65Å; P539-V541 VanDerWaalsContact C-N 3.33Å; V541-L544 PolarHBondContact O-N 2.78Å; V541-L545 HydrophobicContact CG1-CD1 3.55Å; V541-L545 HydrophobicContact CG1-CG 4.19Å; V541-L545 WeakPolarHBondContact O-CB 3.42Å; V541-L545 VanDerWaalsContact O-CG 3.23Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3Å; V541-M559 HydrophobicContact CG1-CE 4.06Å; V541-M559 HydrophobicContact CG2-CE 3.9Å; V541-M559 HydrophobicContact CG2-SD 4.06Å; V541-L562 HydrophobicContact CG2-CD1 3.89Å; V541-I607 HydrophobicContact CG1-CD1 4.23Å; V541-V622 HydrophobicContact CG1-CG1 4.29Å; V541-C626 HydrophobicContact CG1-CB 3.95Å
542	D	93.3	Very high	94	Very high	76 Å²	76	57 Å²	57	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-50.4	174.9	-168.1	3.2	0	0	0	110.6	Y538 P539 L544 L545 G546 V622	Y538-D542 PolarHBondContact O-N 2.91Å; P539-D542 PolarHBondContact O-N 2.9Å; D542-L544 PolarHBondContact O-N 3.46Å; D542-L545 PolarHBondContact O-N 3.07Å; D542-G546 PolarHBondContact O-N 3.02Å; D542-V622 HydrophobicContact CB-CG1 4.08Å; D542-V622 HydrophobicContact CB-CG2 3.97Å; D542-V622 VanDerWaalsContact CG-CG2 3.4Å; D542-V622 VanDerWaalsContact OD1-CG2 3.29Å; D542-V622 WeakPolarHBondContact OD1-CG2 3.35Å
543	Q	94.1	Very high	93.8	Very high	156 Å²	156	62.9 Å²	62.9	73%	0.729	35%	0.347	S	S	*	.	H	α-helix	trans	-59.7	-46.2	175.3	-172.6	179.1	18.9	0	0	112.5	P539 L545 G546 D547	P539-Q543 PolarHBondContact O-N 3.05Å; Q543-L545 PolarHBondContact O-N 3.39Å; Q543-G546 PolarHBondContact O-N 2.91Å; Q543-D547 PolarHBondContact O-N 3.41Å; Q543-D547 VanDerWaalsContact O-N 3.14Å
544	L	95.4	Very high	93.7	Very high	10 Å²	10	66.9 Å²	66.9	5%	0.052	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-37.9	-179.2	-178.7	61	0	0	0	112.5	E540 V541 D542 L550 K555 K558 M559 L562	E540-L544 VanDerWaalsContact O-CB 3.26Å; E540-L544 WeakPolarHBondContact O-CB 3.41Å; E540-L544 PolarHBondContact O-N 3.03Å; V541-L544 PolarHBondContact O-N 2.78Å; D542-L544 PolarHBondContact O-N 3.46Å; L544-L550 HydrophobicContact CD1-CD2 3.53Å; L544-K555 HydrophobicContact CD1-CG 4.01Å; L544-K555 HydrophobicContact CG-CG 4.21Å; L544-K555 WeakPolarHBondContact O-CE 3.11Å; L544-K555 PolarHBondContact O-NZ 2.76Å; L544-K558 HydrophobicContact CD1-CB 3.8Å; L544-K558 HydrophobicContact CD1-CD 3.62Å; L544-K558 HydrophobicContact CD1-CG 4.37Å; L544-K558 HydrophobicContact CD2-CB 3.8Å; L544-K558 HydrophobicContact CG-CB 4.49Å; L544-M559 HydrophobicContact CD2-CB 3.98Å; L544-M559 HydrophobicContact CD2-SD 3.88Å; L544-L562 HydrophobicContact CB-CD1 4.4Å; L544-L562 HydrophobicContact CD2-CD1 3.78Å
545	L	93.3	Very high	93.6	Very high	26 Å²	26	67.8 Å²	67.8	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-73.1	-40.1	179.1	-70.1	169.5	0	0	0	111.5	V541 D542 Q543 D547 K555 V622 P625 C626 Y629	V541-L545 HydrophobicContact CG1-CD1 3.55Å; V541-L545 HydrophobicContact CG1-CG 4.19Å; V541-L545 WeakPolarHBondContact O-CB 3.42Å; V541-L545 VanDerWaalsContact O-CG 3.23Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 3Å; D542-L545 PolarHBondContact O-N 3.07Å; Q543-L545 PolarHBondContact O-N 3.39Å; L545-D547 VanDerWaalsContact C-N 3.31Å; L545-D547 PolarHBondContact O-N 2.87Å; L545-K555 PolarHBondContact O-NZ 3.08Å; L545-V622 HydrophobicContact CD1-CG1 4.42Å; L545-P625 HydrophobicContact CD1-CB 4.41Å; L545-C626 HydrophobicContact CD1-CB 3.77Å; L545-Y629 HydrophobicContact CD2-CG 4.4Å
546	G	91.2	Very high	93.6	Very high	53 Å²	53	66.3 Å²	66.3	55%	0.546	37%	0.365	S	S	.	.	H	α-helix	trans	-68.2	-22.7	176.9	0	0	0	0	0	115.3	D542 Q543 N548	D542-G546 PolarHBondContact O-N 3.02Å; Q543-G546 PolarHBondContact O-N 2.91Å; G546-N548 PolarHBondContact O-N 2.88Å; G546-N548 PolarHBondContact O-ND2 2.97Å
547	D	92.1	Very high	93.7	Very high	58 Å²	58	64 Å²	64	31%	0.31	36%	0.358	S	S	.	.			trans	-70.6	104.6	171.3	-174.5	-11.8	0	0	0	110.5	Q543 L545 D549 L550 K555	Q543-D547 PolarHBondContact O-N 3.41Å; Q543-D547 VanDerWaalsContact O-N 3.14Å; L545-D547 VanDerWaalsContact C-N 3.31Å; L545-D547 PolarHBondContact O-N 2.87Å; D547-D549 PolarHBondContact OD1-N 3Å; D547-L550 HydrophobicContact CB-CB 4.47Å; D547-L550 PolarHBondContact OD1-N 3.07Å; D547-K555 PolarHBondContact O-NZ 2.68Å
548	N	87.3	Confident	93.7	Very high	142 Å²	142	67.7 Å²	67.7	76%	0.759	38%	0.375	S	S	*	.			trans	-93.7	-13.9	-179.4	-69.2	-80	0	0	0	113.4	G546	G546-N548 PolarHBondContact O-N 2.88Å; G546-N548 PolarHBondContact O-ND2 2.97Å
549	D	91.6	Very high	93.9	Very high	162 Å²	162	66.8 Å²	66.8	87%	0.866	37%	0.371	S	S	*	.	S	Bend	trans	-89.3	-16.3	-177.8	-63.1	-44.3	0	0	0	111.7	D547 A551	D547-D549 PolarHBondContact OD1-N 3Å; D549-A551 PolarHBondContact O-N 2.88Å
550	L	91.7	Very high	94	Very high	31 Å²	31	68.6 Å²	68.6	16%	0.162	37%	0.368	C	S	.	.	S	Bend	trans	-66.4	120.7	176.3	-167.9	67.9	0	0	0	112.8	L544 D547 I554 K555 K558	L544-L550 HydrophobicContact CD1-CD2 3.53Å; D547-L550 HydrophobicContact CB-CB 4.47Å; D547-L550 PolarHBondContact OD1-N 3.07Å; L550-I554 HydrophobicContact CD1-CB 4Å; L550-I554 HydrophobicContact CD1-CG2 3.72Å; L550-I554 HydrophobicContact CG-CB 4.22Å; L550-I554 HydrophobicContact CG-CG2 4.31Å; L550-K555 HydrophobicContact CD2-CB 3.79Å; L550-K555 HydrophobicContact CD2-CG 4.1Å; L550-K555 HydrophobicContact CG-CB 4.22Å; L550-K558 HydrophobicContact CD2-CD 3.85Å
551	A	93.2	Very high	94.1	Very high	47 Å²	47	70.8 Å²	70.8	39%	0.388	38%	0.378	S	S	.	.			trans	-53.5	140.5	175.2	0	0	0	0	0	112.3	D549 D553 I554 K555	D549-A551 PolarHBondContact O-N 2.88Å; A551-D553 PolarHBondContact O-N 3.04Å; A551-I554 HydrophobicContact CB-CD1 4.14Å; A551-I554 HydrophobicContact CB-CG1 4.28Å; A551-I554 PolarHBondContact O-N 3.34Å; A551-K555 PolarHBondContact O-N 2.81Å
552	P	92.2	Very high	94.2	Very high	87 Å²	87	71.8 Å²	71.8	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-57.7	-45	-168.1	21.2	-33.1	0	0	0	112.9	I554 K555 V556	P552-I554 VanDerWaalsContact C-N 3.27Å; P552-I554 PolarHBondContact O-N 2.84Å; P552-K555 CarbonylContact O-C 3.6Å; P552-K555 WeakPolarHBondContact O-CA 3.44Å; P552-K555 WeakPolarHBondContact O-CB 3.47Å; P552-K555 PolarHBondContact O-N 3.31Å; P552-V556 WeakPolarHBondContact O-CG2 3.24Å; P552-V556 PolarHBondContact O-N 3.25Å
553	D	93	Very high	94.4	Very high	122 Å²	122	68.2 Å²	68.2	65%	0.652	37%	0.365	S	S	*	.	H	α-helix	trans	-57.6	-40.2	179	-49.4	-19.1	0	0	0	112	A551 V556 I557	A551-D553 PolarHBondContact O-N 3.04Å; D553-V556 PolarHBondContact O-N 3.2Å; D553-I557 WeakPolarHBondContact O-CD1 3.35Å; D553-I557 VanDerWaalsContact O-CG1 3.26Å; D553-I557 WeakPolarHBondContact O-CG1 3.4Å; D553-I557 PolarHBondContact O-N 3.4Å
554	I	95.3	Very high	94.6	Very high	84 Å²	84	64.6 Å²	64.6	43%	0.431	35%	0.35	S	S	.	.	H	α-helix	trans	-71.9	-35.9	178.3	-50	178.2	0	0	0	110.3	L550 A551 P552 I557 K558	L550-I554 HydrophobicContact CD1-CB 4Å; L550-I554 HydrophobicContact CD1-CG2 3.72Å; L550-I554 HydrophobicContact CG-CB 4.22Å; L550-I554 HydrophobicContact CG-CG2 4.31Å; A551-I554 HydrophobicContact CB-CD1 4.14Å; A551-I554 HydrophobicContact CB-CG1 4.28Å; A551-I554 PolarHBondContact O-N 3.34Å; P552-I554 VanDerWaalsContact C-N 3.27Å; P552-I554 PolarHBondContact O-N 2.84Å; I554-I557 PolarHBondContact O-N 2.91Å; I554-K558 WeakPolarHBondContact O-CG 3.45Å; I554-K558 PolarHBondContact O-N 3.06Å
555	K	95.8	Very high	94.7	Very high	25 Å²	25	66.6 Å²	66.6	11%	0.109	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-38.9	175.3	-163.9	161.2	177.7	155.2	0	111.5	L544 L545 D547 L550 A551 P552 M559 Y629	L544-K555 HydrophobicContact CD1-CG 4.01Å; L544-K555 HydrophobicContact CG-CG 4.21Å; L544-K555 WeakPolarHBondContact O-CE 3.11Å; L544-K555 PolarHBondContact O-NZ 2.76Å; L545-K555 PolarHBondContact O-NZ 3.08Å; D547-K555 PolarHBondContact O-NZ 2.68Å; L550-K555 HydrophobicContact CD2-CB 3.79Å; L550-K555 HydrophobicContact CD2-CG 4.1Å; L550-K555 HydrophobicContact CG-CB 4.22Å; A551-K555 PolarHBondContact O-N 2.81Å; P552-K555 CarbonylContact O-C 3.6Å; P552-K555 WeakPolarHBondContact O-CA 3.44Å; P552-K555 WeakPolarHBondContact O-CB 3.47Å; P552-K555 PolarHBondContact O-N 3.31Å; K555-M559 WeakPolarHBondContact O-CB 3.47Å; K555-M559 PolarHBondContact O-N 2.8Å; K555-Y629 VanDerWaalsContact C-OH 3.27Å; K555-Y629 WeakPolarHBondContact CB-OH 3.46Å; K555-Y629 WeakPolarHBondContact CG-OH 3.48Å
556	V	96.4	Very high	94.9	Very high	11 Å²	11	65.8 Å²	65.8	7%	0.067	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-45.8	172.6	175.1	0	0	0	0	111.2	P552 D553 M559 R560 Y629 H633 E636 I637	P552-V556 WeakPolarHBondContact O-CG2 3.24Å; P552-V556 PolarHBondContact O-N 3.25Å; D553-V556 PolarHBondContact O-N 3.2Å; V556-M559 PolarHBondContact O-N 3.35Å; V556-R560 PolarHBondContact O-N 3.31Å; V556-Y629 WeakPolarHBondContact CG2-OH 3.49Å; V556-Y629 PolarHBondContact N-OH 2.96Å; V556-Y629 VanDerWaalsContact N-OH 3.08Å; V556-H633 HydrophobicContact CG2-CB 4.38Å; V556-H633 WeakPolarHBondContact CG2-ND1 3.46Å; V556-E636 HydrophobicContact CG1-CB 3.67Å; V556-E636 HydrophobicContact CG1-CG 4.48Å; V556-I637 HydrophobicContact CG1-CG1 4.19Å
557	I	96.5	Very high	95.2	Very high	82 Å²	82	65.6 Å²	65.6	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-50.4	178.2	-69.9	164	0	0	0	110.9	D553 I554 M559 R560 E561	D553-I557 WeakPolarHBondContact O-CD1 3.35Å; D553-I557 VanDerWaalsContact O-CG1 3.26Å; D553-I557 WeakPolarHBondContact O-CG1 3.4Å; D553-I557 PolarHBondContact O-N 3.4Å; I554-I557 PolarHBondContact O-N 2.91Å; I557-M559 VanDerWaalsContact C-N 3.32Å; I557-M559 PolarHBondContact O-N 3.48Å; I557-R560 WeakPolarHBondContact O-CB 3.07Å; I557-R560 PolarHBondContact O-N 3.3Å; I557-R560 VanDerWaalsContact O-N 3.15Å; I557-E561 WeakPolarHBondContact O-CG 3.49Å; I557-E561 PolarHBondContact O-N 3.31Å
558	K	96.9	Very high	95.4	Very high	78 Å²	78	66.7 Å²	66.7	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-42.1	176.1	-72.9	-175.3	-172.4	172.4	0	111.7	L544 L550 I554 R560 E561 L562	L544-K558 HydrophobicContact CD1-CB 3.8Å; L544-K558 HydrophobicContact CD1-CD 3.62Å; L544-K558 HydrophobicContact CD1-CG 4.37Å; L544-K558 HydrophobicContact CD2-CB 3.8Å; L544-K558 HydrophobicContact CG-CB 4.49Å; L550-K558 HydrophobicContact CD2-CD 3.85Å; I554-K558 WeakPolarHBondContact O-CG 3.45Å; I554-K558 PolarHBondContact O-N 3.06Å; K558-R560 VanDerWaalsContact C-N 3.32Å; K558-R560 PolarHBondContact O-N 3.16Å; K558-E561 WeakPolarHBondContact O-CB 3.37Å; K558-E561 PolarHBondContact O-N 3.23Å; K558-E561 VanDerWaalsContact O-N 3.14Å; K558-L562 WeakPolarHBondContact O-CG 3.33Å; K558-L562 PolarHBondContact O-N 3.05Å
559	M	97.5	Very high	95.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-37.9	177.9	-162.7	68.8	176.1	0	0	111.9	V541 L544 K555 V556 I557 L562 I563 Y629 L630 I637	V541-M559 HydrophobicContact CG1-CE 4.06Å; V541-M559 HydrophobicContact CG2-CE 3.9Å; V541-M559 HydrophobicContact CG2-SD 4.06Å; L544-M559 HydrophobicContact CD2-CB 3.98Å; L544-M559 HydrophobicContact CD2-SD 3.88Å; K555-M559 WeakPolarHBondContact O-CB 3.47Å; K555-M559 PolarHBondContact O-N 2.8Å; V556-M559 PolarHBondContact O-N 3.35Å; I557-M559 VanDerWaalsContact C-N 3.32Å; I557-M559 PolarHBondContact O-N 3.48Å; M559-L562 PolarHBondContact O-N 3.39Å; M559-I563 WeakPolarHBondContact O-CB 3.39Å; M559-I563 VanDerWaalsContact O-CG1 3.26Å; M559-I563 WeakPolarHBondContact O-CG1 3.45Å; M559-I563 PolarHBondContact O-N 2.84Å; M559-Y629 HydrophobicContact CB-CD1 4.4Å; M559-Y629 HydrophobicContact CB-CE1 3.95Å; M559-Y629 HydrophobicContact CG-CD1 4.02Å; M559-Y629 HydrophobicContact CG-CE1 4.1Å; M559-L630 HydrophobicContact CE-CD1 3.97Å; M559-L630 HydrophobicContact CE-CD2 3.75Å; M559-L630 HydrophobicContact CE-CG 3.74Å; M559-L630 HydrophobicContact CG-CD2 4.04Å; M559-I637 HydrophobicContact CB-CD1 3.93Å; M559-I637 HydrophobicContact CG-CD1 3.72Å
560	R	97.3	Very high	96.2	Very high	113 Å²	113	53.1 Å²	53.1	43%	0.426	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-41.8	171.3	-175.7	-164.7	-71	171.5	1.5	111.6	V556 I557 K558 N564 E636	V556-R560 PolarHBondContact O-N 3.31Å; I557-R560 WeakPolarHBondContact O-CB 3.07Å; I557-R560 PolarHBondContact O-N 3.3Å; I557-R560 VanDerWaalsContact O-N 3.15Å; K558-R560 VanDerWaalsContact C-N 3.32Å; K558-R560 PolarHBondContact O-N 3.16Å; R560-N564 WeakPolarHBondContact CG-ND2 3.46Å; R560-N564 WeakPolarHBondContact O-CB 3.37Å; R560-N564 PolarHBondContact O-N 2.65Å; R560-N564 PolarHBondContact O-ND2 2.89Å; R560-E636 PolarHBondContact NE-O 3.47Å; R560-E636 PolarHBondContact NH2-O 3.46Å
561	E	97.4	Very high	96.4	Very high	123 Å²	123	52.4 Å²	52.4	58%	0.575	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-46.7	177	-69.9	171	159	0	0	111.8	I557 K558 I563 N564 S565	I557-E561 WeakPolarHBondContact O-CG 3.49Å; I557-E561 PolarHBondContact O-N 3.31Å; K558-E561 WeakPolarHBondContact O-CB 3.37Å; K558-E561 PolarHBondContact O-N 3.23Å; K558-E561 VanDerWaalsContact O-N 3.14Å; E561-I563 PolarHBondContact O-N 3.31Å; E561-N564 CarbonylContact O-C 3.55Å; E561-N564 PolarHBondContact O-N 2.81Å; E561-S565 PolarHBondContact O-N 3.42Å
562	L	97.6	Very high	96.6	Very high	21 Å²	21	51.7 Å²	51.7	11%	0.11	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-47.6	176.1	-69.6	-176.8	0	0	0	112.1	V537 E540 V541 L544 K558 M559 N564 S565	V537-L562 HydrophobicContact CG1-CB 4.13Å; E540-L562 HydrophobicContact CB-CD1 3.94Å; E540-L562 HydrophobicContact CB-CD2 3.54Å; E540-L562 HydrophobicContact CB-CG 4.4Å; E540-L562 HydrophobicContact CG-CD2 4.24Å; E540-L562 VanDerWaalsContact OE2-CD2 3.24Å; E540-L562 WeakPolarHBondContact OE2-CD2 3.16Å; V541-L562 HydrophobicContact CG2-CD1 3.89Å; L544-L562 HydrophobicContact CB-CD1 4.4Å; L544-L562 HydrophobicContact CD2-CD1 3.78Å; K558-L562 WeakPolarHBondContact O-CG 3.33Å; K558-L562 PolarHBondContact O-N 3.05Å; M559-L562 PolarHBondContact O-N 3.39Å; L562-N564 PolarHBondContact O-N 3.09Å; L562-S565 WeakPolarHBondContact O-CB 3.39Å; L562-S565 PolarHBondContact O-N 3.22Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 3.31Å
563	I	97.6	Very high	96.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-43.5	176.9	-70.9	-66.5	0	0	0	111.3	I533 M559 E561 S565 M566 I571 L630 I637 F638	I533-I563 HydrophobicContact CD1-CD1 3.73Å; M559-I563 WeakPolarHBondContact O-CB 3.39Å; M559-I563 VanDerWaalsContact O-CG1 3.26Å; M559-I563 WeakPolarHBondContact O-CG1 3.45Å; M559-I563 PolarHBondContact O-N 2.84Å; E561-I563 PolarHBondContact O-N 3.31Å; I563-S565 PolarHBondContact O-N 3.07Å; I563-M566 HydrophobicContact CD1-CE 3.84Å; I563-M566 HydrophobicContact CG2-CE 4.2Å; I563-M566 WeakPolarHBondContact O-CB 3.45Å; I563-M566 WeakPolarHBondContact O-CG 3.41Å; I563-M566 PolarHBondContact O-N 3.35Å; I563-I571 WeakPolarHBondContact O-CG1 3.4Å; I563-L630 HydrophobicContact CD1-CD1 4.29Å; I563-L630 HydrophobicContact CD1-CD2 4Å; I563-L630 HydrophobicContact CG1-CD2 3.97Å; I563-I637 HydrophobicContact CB-CG2 4.35Å; I563-I637 HydrophobicContact CG1-CG2 4.03Å; I563-I637 HydrophobicContact CG2-CG2 4.46Å; I563-F638 HydrophobicContact CD1-CZ 4.47Å; I563-F638 HydrophobicContact CG2-CD1 4.26Å; I563-F638 HydrophobicContact CG2-CE1 3.63Å; I563-F638 HydrophobicContact CG2-CZ 4.3Å
564	N	96.7	Very high	97.1	Very high	79 Å²	79	41.7 Å²	41.7	42%	0.422	21%	0.214	S	C	.	.	H	α-helix	trans	-74.4	-5.3	177.7	-71.7	-57.2	0	0	0	114.1	R560 E561 L562 M566	R560-N564 WeakPolarHBondContact CG-ND2 3.46Å; R560-N564 WeakPolarHBondContact O-CB 3.37Å; R560-N564 PolarHBondContact O-N 2.65Å; R560-N564 PolarHBondContact O-ND2 2.89Å; E561-N564 CarbonylContact O-C 3.55Å; E561-N564 PolarHBondContact O-N 2.81Å; L562-N564 PolarHBondContact O-N 3.09Å; N564-M566 VanDerWaalsContact C-N 3.33Å
565	S	97.2	Very high	97.2	Very high	52 Å²	52	41.2 Å²	41.2	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9	172.4	85.4	0	0	0	0	113.8	V537 E561 L562 I563	V537-S565 WeakPolarHBondContact CG2-OG 3.47Å; E561-S565 PolarHBondContact O-N 3.42Å; L562-S565 WeakPolarHBondContact O-CB 3.39Å; L562-S565 PolarHBondContact O-N 3.22Å; L562-S565 VanDerWaalsContact O-N 3.12Å; L562-S565 PolarHBondContact O-OG 3.31Å; I563-S565 PolarHBondContact O-N 3.07Å
566	M	97.6	Very high	97.2	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.049	22%	0.216	C	C	.	.	S	Bend	trans	-77.3	163	178.6	-60.7	-165.7	-61.6	0	0	112.2	I533 T534 V537 I563 N564 H570 I571	I533-M566 HydrophobicContact CD1-CE 4.18Å; I533-M566 HydrophobicContact CD1-SD 4.48Å; I533-M566 HydrophobicContact CG2-SD 4.35Å; T534-M566 HydrophobicContact CG2-CB 4.4Å; T534-M566 HydrophobicContact CG2-CG 4.27Å; T534-M566 HydrophobicContact CG2-SD 4.14Å; V537-M566 HydrophobicContact CG2-CG 3.8Å; I563-M566 HydrophobicContact CD1-CE 3.84Å; I563-M566 HydrophobicContact CG2-CE 4.2Å; I563-M566 WeakPolarHBondContact O-CB 3.45Å; I563-M566 WeakPolarHBondContact O-CG 3.41Å; I563-M566 PolarHBondContact O-N 3.35Å; N564-M566 VanDerWaalsContact C-N 3.33Å; M566-H570 HydrophobicContact CB-CB 4.07Å; M566-H570 HydrophobicContact CE-CB 4.31Å; M566-H570 HydrophobicContact SD-CB 4.41Å; M566-I571 HydrophobicContact CB-CG1 4.13Å; M566-I571 VanDerWaalsContact O-CD1 3.23Å; M566-I571 WeakPolarHBondContact O-CD1 3.3Å
567	P	97.4	Very high	97.2	Very high	49 Å²	49	42.1 Å²	42.1	32%	0.318	21%	0.212	S	C	.	.			trans	-57.8	145.1	171.3	-24.2	35.2	0	0	0	112.1	I452 P569 H570 I571	I452-P567 HydrophobicContact CD1-CB 4.08Å; I452-P567 HydrophobicContact CD1-CG 4.09Å; I452-P567 HydrophobicContact CG1-CB 4.43Å; P567-P569 VanDerWaalsContact C-CD 3.49Å; P567-P569 VanDerWaalsContact C-N 3.31Å; P567-P569 VanDerWaalsContact O-N 3.15Å; P567-H570 WeakPolarHBondContact O-CA 3.42Å; P567-H570 WeakPolarHBondContact O-CB 3.33Å; P567-H570 PolarHBondContact O-N 2.74Å; P567-I571 PolarHBondContact O-N 2.88Å
568	V	96.8	Very high	97.3	Very high	80 Å²	80	38.2 Å²	38.2	49%	0.485	19%	0.192	S	C	.	.	H	α-helix	trans	-49.5	-42.1	-178	176.5	0	0	0	0	113.5	H570 I571 N572	V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 2.86Å; V568-I571 PolarHBondContact O-N 3.29Å; V568-N572 WeakPolarHBondContact CG1-ND2 3.35Å; V568-N572 WeakPolarHBondContact O-CB 3.34Å; V568-N572 PolarHBondContact O-N 2.9Å
569	P	97.4	Very high	97.3	Very high	20 Å²	20	34.6 Å²	34.6	13%	0.13	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-36.4	174.2	-28.8	38	0	0	0	114.7	I451 I452 C455 D461 P567 T573	I451-P569 HydrophobicContact CG2-CB 3.79Å; I452-P569 HydrophobicContact CG1-CG 4.44Å; C455-P569 HydrophobicContact CB-CB 4.26Å; C455-P569 HydrophobicContact CB-CG 4.2Å; D461-P569 WeakPolarHBondContact O-CA 3.36Å; P567-P569 VanDerWaalsContact C-CD 3.49Å; P567-P569 VanDerWaalsContact C-N 3.31Å; P567-P569 VanDerWaalsContact O-N 3.15Å; P569-T573 WeakPolarHBondContact O-CB 3.34Å; P569-T573 PolarHBondContact O-N 2.84Å; P569-T573 PolarHBondContact O-OG1 3.02Å
570	H	98.1	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.1	-40.2	176.6	-73.6	-117.7	0	0	0	111.1	P531 L532 T534 M566 P567 V568 S574	P531-H570 PolarHBondContact O-CE1 2.95Å; P531-H570 VanDerWaalsContact O-CE1 3.29Å; P531-H570 PolarHBondContact O-ND1 3.11Å; L532-H570 PolarHBondContact O-ND1 2.87Å; T534-H570 WeakPolarHBondContact CG2-ND1 3.27Å; M566-H570 HydrophobicContact CB-CB 4.07Å; M566-H570 HydrophobicContact CE-CB 4.31Å; M566-H570 HydrophobicContact SD-CB 4.41Å; P567-H570 WeakPolarHBondContact O-CA 3.42Å; P567-H570 WeakPolarHBondContact O-CB 3.33Å; P567-H570 PolarHBondContact O-N 2.74Å; V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 2.86Å; H570-S574 WeakPolarHBondContact O-CB 3.29Å; H570-S574 PolarHBondContact O-N 2.91Å; H570-S574 PolarHBondContact O-OG 2.98Å
571	I	97.4	Very high	97.2	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.082	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-53	174.9	-61.6	173.4	0	0	0	110.5	I563 M566 P567 V568 S574 R575	I563-I571 WeakPolarHBondContact O-CG1 3.4Å; M566-I571 HydrophobicContact CB-CG1 4.13Å; M566-I571 VanDerWaalsContact O-CD1 3.23Å; M566-I571 WeakPolarHBondContact O-CD1 3.3Å; P567-I571 PolarHBondContact O-N 2.88Å; V568-I571 PolarHBondContact O-N 3.29Å; I571-S574 PolarHBondContact O-N 2.8Å; I571-R575 PolarHBondContact O-N 2.96Å
572	N	96.7	Very high	97.2	Very high	31 Å²	31	25.5 Å²	25.5	17%	0.166	14%	0.137	C	C	.	.	H	α-helix	trans	-70.3	-38.1	-174.3	-71.5	-15.2	0	0	0	111.7	D461 V462 V568 R575 I576	D461-N572 HydrophobicContact CB-CB 4.32Å; D461-N572 PolarHBondContact OD2-ND2 3.02Å; V462-N572 HydrophobicContact CG2-CB 3.63Å; V568-N572 WeakPolarHBondContact CG1-ND2 3.35Å; V568-N572 WeakPolarHBondContact O-CB 3.34Å; V568-N572 PolarHBondContact O-N 2.9Å; N572-R575 PolarHBondContact O-N 3.31Å; N572-R575 PolarHBondContact OD1-NH1 3.2Å; N572-I576 PolarHBondContact O-N 2.99Å
573	T	97.6	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-43.8	171.5	-60.9	0	0	0	0	111.3	I451 P463 I466 F525 L532 P569 F577	I451-T573 HydrophobicContact CD1-CG2 4.36Å; P463-T573 WeakPolarHBondContact CD-OG1 3.41Å; I466-T573 HydrophobicContact CD1-CG2 3.4Å; F525-T573 HydrophobicContact CE1-CG2 3.94Å; F525-T573 HydrophobicContact CZ-CG2 4.39Å; L532-T573 HydrophobicContact CD1-CG2 3.63Å; P569-T573 WeakPolarHBondContact O-CB 3.34Å; P569-T573 PolarHBondContact O-N 2.84Å; P569-T573 PolarHBondContact O-OG1 3.02Å; T573-F577 VanDerWaalsContact O-CB 3.26Å; T573-F577 WeakPolarHBondContact O-CB 3.41Å; T573-F577 PolarHBondContact O-N 3.36Å
574	S	97.5	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-49.8	177	-61.6	0	0	0	0	111.3	L532 H570 I571 I576 F577 F578	L532-S574 WeakPolarHBondContact CD1-OG 3.44Å; L532-S574 WeakPolarHBondContact CG-OG 3.42Å; H570-S574 WeakPolarHBondContact O-CB 3.29Å; H570-S574 PolarHBondContact O-N 2.91Å; H570-S574 PolarHBondContact O-OG 2.98Å; I571-S574 PolarHBondContact O-N 2.8Å; S574-I576 PolarHBondContact O-N 2.75Å; S574-F577 PolarHBondContact O-N 3.39Å; S574-F577 VanDerWaalsContact O-N 3.17Å; S574-F578 WeakPolarHBondContact O-CB 3.29Å; S574-F578 VanDerWaalsContact O-CD2 3.3Å; S574-F578 WeakPolarHBondContact O-CD2 3.44Å; S574-F578 PolarHBondContact O-N 3.37Å
575	R	96.6	Very high	97	Very high	73 Å²	73	24.3 Å²	24.3	28%	0.275	13%	0.127	S	C	.	.	H	α-helix	trans	-51.9	-55.1	178.1	179	176.8	-55.9	105.5	5.5	111.6	I571 N572 F577 H579 F638	I571-R575 PolarHBondContact O-N 2.96Å; N572-R575 PolarHBondContact O-N 3.31Å; N572-R575 PolarHBondContact OD1-NH1 3.2Å; R575-F577 VanDerWaalsContact C-N 3.32Å; R575-F577 PolarHBondContact O-N 3.29Å; R575-H579 WeakPolarHBondContact O-CB 3.4Å; R575-H579 PolarHBondContact O-CD2 3.26Å; R575-H579 PolarHBondContact O-N 2.88Å; R575-F638 HydrophobicContact CB-CB 4.39Å; R575-F638 HydrophobicContact CB-CD1 4.09Å; R575-F638 HydrophobicContact CG-CB 4.16Å; R575-F638 PolarHBondContact NE-O 3.42Å
576	I	95.9	Very high	96.9	Very high	56 Å²	56	27.1 Å²	27.1	29%	0.287	13%	0.134	S	C	.	.	H	α-helix	trans	-63.5	-39.2	-178	-64.2	-174.1	0	0	0	111.3	V462 I470 N572 S574 H580	V462-I576 HydrophobicContact CB-CD1 4.46Å; V462-I576 HydrophobicContact CG1-CD1 4.39Å; V462-I576 HydrophobicContact CG2-CD1 3.98Å; I470-I576 HydrophobicContact CD1-CG2 3.78Å; N572-I576 PolarHBondContact O-N 2.99Å; S574-I576 PolarHBondContact O-N 2.75Å; I576-H580 PolarHBondContact O-N 2.94Å; I576-H580 VanDerWaalsContact O-N 3.07Å
577	F	97.4	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.9	-42.6	-177.5	-173.3	-105.2	0	0	0	113.4	I470 L521 F525 L532 T573 S574 R575 H580 L581 F602 L606	I470-F577 HydrophobicContact CD1-CD2 4.18Å; L521-F577 HydrophobicContact CD2-CD2 4.4Å; L521-F577 HydrophobicContact CD2-CE2 3.91Å; L521-F577 HydrophobicContact CG-CE2 4.31Å; F525-F577 HydrophobicContact CE2-CD1 4.25Å; F525-F577 AromaticContact CE2-CD2 3.62Å; F525-F577 HydrophobicContact CE2-CD2 3.62Å; F525-F577 HydrophobicContact CE2-CE1 4.22Å; F525-F577 AromaticContact CE2-CE2 3.61Å; F525-F577 HydrophobicContact CE2-CE2 3.61Å; F525-F577 AromaticContact CE2-CG 3.97Å; F525-F577 HydrophobicContact CE2-CG 3.97Å; F525-F577 AromaticContact CE2-CZ 3.93Å; F525-F577 HydrophobicContact CE2-CZ 3.93Å; F525-F577 HydrophobicContact CZ-CB 4.26Å; F525-F577 HydrophobicContact CZ-CD1 4.22Å; F525-F577 AromaticContact CZ-CD2 3.74Å; F525-F577 HydrophobicContact CZ-CD2 3.74Å; F525-F577 HydrophobicContact CZ-CE2 4.22Å; F525-F577 AromaticContact CZ-CG 3.76Å; F525-F577 HydrophobicContact CZ-CG 3.76Å; L532-F577 HydrophobicContact CD2-CD1 4.44Å; T573-F577 VanDerWaalsContact O-CB 3.26Å; T573-F577 WeakPolarHBondContact O-CB 3.41Å; T573-F577 PolarHBondContact O-N 3.36Å; S574-F577 PolarHBondContact O-N 3.39Å; S574-F577 VanDerWaalsContact O-N 3.17Å; R575-F577 VanDerWaalsContact C-N 3.32Å; R575-F577 PolarHBondContact O-N 3.29Å; F577-H580 WeakPolarHBondContact O-CB 3.43Å; F577-H580 PolarHBondContact O-N 2.78Å; F577-L581 HydrophobicContact CD1-CD1 4.22Å; F577-L581 HydrophobicContact CD1-CG 4.4Å; F577-L581 HydrophobicContact CE1-CD1 3.39Å; F577-L581 HydrophobicContact CE1-CD2 4.41Å; F577-L581 HydrophobicContact CE1-CG 3.78Å; F577-L581 HydrophobicContact CE2-CD2 4.35Å; F577-L581 HydrophobicContact CE2-CG 4.33Å; F577-L581 HydrophobicContact CZ-CD1 3.68Å; F577-L581 HydrophobicContact CZ-CD2 3.87Å; F577-L581 HydrophobicContact CZ-CG 3.72Å; F577-L581 PolarHBondContact O-N 2.82Å; F577-F602 HydrophobicContact CE1-CD1 4.16Å; F577-F602 HydrophobicContact CE1-CE1 4.17Å; F577-F602 HydrophobicContact CE2-CE1 4.44Å; F577-F602 HydrophobicContact CE2-CZ 4.46Å; F577-F602 AromaticContact CZ-CD1 3.95Å; F577-F602 HydrophobicContact CZ-CD1 3.95Å; F577-F602 AromaticContact CZ-CE1 3.5Å; F577-F602 HydrophobicContact CZ-CE1 3.5Å; F577-F602 VanDerWaalsContact CZ-CE1 3.5Å; F577-F602 HydrophobicContact CZ-CE2 4.19Å; F577-F602 HydrophobicContact CZ-CG 4.47Å; F577-F602 AromaticContact CZ-CZ 3.62Å; F577-F602 HydrophobicContact CZ-CZ 3.62Å; F577-L606 HydrophobicContact CD1-CD1 4.34Å; F577-L606 HydrophobicContact CD1-CD2 4.42Å; F577-L606 HydrophobicContact CE1-CD1 3.89Å; F577-L606 HydrophobicContact CE1-CD2 4.14Å
578	F	97.8	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-36.1	174.2	-78.8	-79.3	0	0	0	112.1	I533 S574 H580 L581 Y582 L606 I627 L630 L631 F638	I533-F578 HydrophobicContact CD1-CE2 4.46Å; S574-F578 WeakPolarHBondContact O-CB 3.29Å; S574-F578 VanDerWaalsContact O-CD2 3.3Å; S574-F578 WeakPolarHBondContact O-CD2 3.44Å; S574-F578 PolarHBondContact O-N 3.37Å; F578-H580 VanDerWaalsContact C-N 3.28Å; F578-H580 PolarHBondContact O-N 3.04Å; F578-L581 PolarHBondContact O-N 2.83Å; F578-Y582 WeakPolarHBondContact O-CB 3.31Å; F578-Y582 PolarHBondContact O-N 3.32Å; F578-L606 HydrophobicContact CZ-CD1 4.27Å; F578-I627 HydrophobicContact CE1-CD1 4.47Å; F578-I627 HydrophobicContact CE1-CG2 4.16Å; F578-I627 HydrophobicContact CZ-CD1 3.91Å; F578-L630 HydrophobicContact CD1-CB 3.93Å; F578-L630 HydrophobicContact CE1-CB 3.4Å; F578-L630 VanDerWaalsContact CE1-CB 3.4Å; F578-L630 HydrophobicContact CE1-CD1 4.11Å; F578-L630 HydrophobicContact CE1-CG 4.38Å; F578-L630 HydrophobicContact CE2-CB 4.48Å; F578-L630 HydrophobicContact CE2-CD1 4Å; F578-L630 HydrophobicContact CZ-CB 3.72Å; F578-L630 HydrophobicContact CZ-CD1 3.5Å; F578-L630 VanDerWaalsContact CZ-CD1 3.5Å; F578-L630 HydrophobicContact CZ-CG 4.23Å; F578-L631 HydrophobicContact CD1-CD2 3.86Å; F578-L631 HydrophobicContact CD1-CG 4.13Å; F578-L631 HydrophobicContact CE1-CD2 4.38Å; F578-L631 HydrophobicContact CE1-CG 4.22Å; F578-F638 HydrophobicContact CB-CD2 3.87Å; F578-F638 HydrophobicContact CB-CE2 3.61Å; F578-F638 HydrophobicContact CB-CZ 4.17Å; F578-F638 HydrophobicContact CD1-CE2 4.25Å; F578-F638 HydrophobicContact CD2-CE1 4.17Å; F578-F638 AromaticContact CD2-CE2 3.59Å; F578-F638 HydrophobicContact CD2-CE2 3.59Å; F578-F638 AromaticContact CD2-CZ 3.35Å; F578-F638 HydrophobicContact CD2-CZ 3.35Å; F578-F638 HydrophobicContact CE2-CE2 4.32Å; F578-F638 AromaticContact CE2-CZ 3.87Å; F578-F638 HydrophobicContact CE2-CZ 3.87Å; F578-F638 HydrophobicContact CG-CD2 4.32Å; F578-F638 AromaticContact CG-CE2 3.55Å; F578-F638 HydrophobicContact CG-CE2 3.55Å; F578-F638 AromaticContact CG-CZ 3.85Å; F578-F638 HydrophobicContact CG-CZ 3.85Å
579	H	96.8	Very high	96.8	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-37	169.6	-75.4	-174.1	0	0	0	112.2	R575 R583 G639 P640 V641	R575-H579 WeakPolarHBondContact O-CB 3.4Å; R575-H579 PolarHBondContact O-CD2 3.26Å; R575-H579 PolarHBondContact O-N 2.88Å; H579-R583 PolarHBondContact O-N 2.89Å; H579-G639 PolarHBondContact NE2-O 2.86Å; H579-P640 PolarHBondContact CE1-O 3.31Å; H579-V641 HydrophobicContact CB-CG1 4.25Å
580	H	96.6	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.5	-48.8	173.1	171.3	65.9	0	0	0	112.7	I470 E474 Y484 I576 F577 F578 Y582 R583 V584	I470-H580 HydrophobicContact CD1-CB 4.03Å; I470-H580 HydrophobicContact CG1-CB 4.17Å; I470-H580 HydrophobicContact CG2-CB 3.87Å; E474-H580 WeakPolarHBondContact CG-ND1 3.5Å; E474-H580 IonicContact OE1-CE1 3.58Å; E474-H580 IonicContact OE1-CG 2.75Å; E474-H580 IonicContact OE1-ND1 2.79Å; E474-H580 PolarHBondContact OE1-ND1 3.07Å; Y484-H580 AromaticContact CE2-NE2 3.41Å; Y484-H580 WeakPolarHBondContact CE2-NE2 3.45Å; Y484-H580 AromaticContact CZ-NE2 3.49Å; Y484-H580 PolarHBondContact OH-CD2 3.36Å; Y484-H580 VanDerWaalsContact OH-CD2 3.25Å; Y484-H580 PolarHBondContact OH-NE2 3.4Å; I576-H580 PolarHBondContact O-N 2.94Å; I576-H580 VanDerWaalsContact O-N 3.07Å; F577-H580 WeakPolarHBondContact O-CB 3.43Å; F577-H580 PolarHBondContact O-N 2.78Å; F578-H580 VanDerWaalsContact C-N 3.28Å; F578-H580 PolarHBondContact O-N 3.04Å; H580-Y582 PolarHBondContact O-N 3.17Å; H580-R583 WeakPolarHBondContact O-CB 3.41Å; H580-R583 PolarHBondContact O-N 3.43Å; H580-V584 PolarHBondContact O-N 3.06Å
581	L	97.4	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-29.5	178.4	-69.6	-168.3	0	0	0	112.7	Y484 F577 F578 V584 M585 L598 F602 L631	Y484-L581 HydrophobicContact CD2-CD2 4.16Å; Y484-L581 HydrophobicContact CE2-CD2 3.87Å; F577-L581 HydrophobicContact CD1-CD1 4.22Å; F577-L581 HydrophobicContact CD1-CG 4.4Å; F577-L581 HydrophobicContact CE1-CD1 3.39Å; F577-L581 HydrophobicContact CE1-CD2 4.41Å; F577-L581 HydrophobicContact CE1-CG 3.78Å; F577-L581 HydrophobicContact CE2-CD2 4.35Å; F577-L581 HydrophobicContact CE2-CG 4.33Å; F577-L581 HydrophobicContact CZ-CD1 3.68Å; F577-L581 HydrophobicContact CZ-CD2 3.87Å; F577-L581 HydrophobicContact CZ-CG 3.72Å; F577-L581 PolarHBondContact O-N 2.82Å; F578-L581 PolarHBondContact O-N 2.83Å; L581-V584 WeakPolarHBondContact O-CB 3.34Å; L581-V584 PolarHBondContact O-N 3.26Å; L581-M585 WeakPolarHBondContact O-CB 3.34Å; L581-M585 PolarHBondContact O-N 2.93Å; L581-L598 HydrophobicContact CD2-CD2 4.38Å; L581-F602 HydrophobicContact CD1-CD2 3.74Å; L581-F602 HydrophobicContact CD1-CE2 3.99Å; L581-F602 HydrophobicContact CD1-CG 4.25Å; L581-F602 HydrophobicContact CD2-CD2 4.28Å; L581-F602 HydrophobicContact CD2-CE2 3.69Å; L581-F602 HydrophobicContact CD2-CZ 4.23Å; L581-F602 HydrophobicContact CG-CE2 4.5Å; L581-L631 HydrophobicContact CB-CD2 3.4Å; L581-L631 VanDerWaalsContact CB-CD2 3.4Å; L581-L631 HydrophobicContact CD1-CD2 4.07Å; L581-L631 HydrophobicContact CG-CD2 4.41Å
582	Y	96.9	Very high	96.7	Very high	45 Å²	45	35.5 Å²	35.5	18%	0.176	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-45.9	169.5	-171.8	-103.1	0	0	0	111.6	F578 H580 V584 M585 Q586 V634 E635 V641	F578-Y582 WeakPolarHBondContact O-CB 3.31Å; F578-Y582 PolarHBondContact O-N 3.32Å; H580-Y582 PolarHBondContact O-N 3.17Å; Y582-V584 VanDerWaalsContact C-N 3.28Å; Y582-V584 PolarHBondContact O-N 2.67Å; Y582-M585 HydrophobicContact CD2-CE 3.71Å; Y582-M585 HydrophobicContact CE2-CE 3.9Å; Y582-M585 WeakPolarHBondContact O-CB 3.43Å; Y582-M585 PolarHBondContact O-N 2.86Å; Y582-Q586 HydrophobicContact CD1-CG 4.1Å; Y582-Q586 HydrophobicContact CE1-CG 3.98Å; Y582-Q586 WeakPolarHBondContact O-CG 3.32Å; Y582-Q586 PolarHBondContact O-N 2.88Å; Y582-Q586 PolarHBondContact OH-NE2 2.84Å; Y582-Q586 VanDerWaalsContact OH-NE2 3.17Å; Y582-V634 HydrophobicContact CD2-CB 3.78Å; Y582-V634 HydrophobicContact CD2-CG1 4.25Å; Y582-V634 HydrophobicContact CD2-CG2 3.79Å; Y582-V634 HydrophobicContact CE2-CB 4.29Å; Y582-V634 HydrophobicContact CG-CB 4.24Å; Y582-V634 HydrophobicContact CG-CG1 4.2Å; Y582-V634 HydrophobicContact CG-CG2 4.31Å; Y582-E635 PolarHBondContact OH-OE1 2.73Å; Y582-V641 HydrophobicContact CD1-CG2 3.68Å; Y582-V641 HydrophobicContact CE1-CG2 3.96Å; Y582-V641 HydrophobicContact CG-CG2 4.33Å
583	R	95.6	Very high	96.8	Very high	47 Å²	47	34 Å²	34	18%	0.177	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-33.2	174.7	-70.5	-174.1	-71.3	-98.5	9.4	112.9	E474 L478 H579 H580 T642	E474-R583 IonicContact OE1-CZ 3.21Å; E474-R583 IonicContact OE1-NE 2.81Å; E474-R583 PolarHBondContact OE1-NE 3.06Å; E474-R583 IonicContact OE1-NH2 3.99Å; E474-R583 PolarHBondContact OE1-NH2 2.75Å; E474-R583 IonicContact OE2-NE 3.99Å; E474-R583 IonicContact OE2-NH2 2.65Å; L478-R583 HydrophobicContact CD1-CB 3.98Å; H579-R583 PolarHBondContact O-N 2.89Å; H580-R583 WeakPolarHBondContact O-CB 3.41Å; H580-R583 PolarHBondContact O-N 3.43Å; R583-T642 PolarHBondContact NH1-O 2.78Å
584	V	96.8	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-48.6	169	177.5	0	0	0	0	110.7	L478 I483 Y484 H580 L581 Y582 Q586 L587 N591 M593 L598	L478-V584 HydrophobicContact CD2-CG2 3.98Å; I483-V584 HydrophobicContact CG2-CG1 3.56Å; Y484-V584 HydrophobicContact CD2-CG2 4.48Å; Y484-V584 HydrophobicContact CE2-CG2 4.09Å; H580-V584 PolarHBondContact O-N 3.06Å; L581-V584 WeakPolarHBondContact O-CB 3.34Å; L581-V584 PolarHBondContact O-N 3.26Å; Y582-V584 VanDerWaalsContact C-N 3.28Å; Y582-V584 PolarHBondContact O-N 2.67Å; V584-Q586 PolarHBondContact O-N 2.9Å; V584-L587 PolarHBondContact O-N 2.94Å; V584-L587 VanDerWaalsContact O-N 3.11Å; V584-N591 PolarHBondContact O-ND2 3.43Å; V584-M593 HydrophobicContact CG1-CB 4.14Å; V584-L598 HydrophobicContact CB-CD1 4.37Å; V584-L598 HydrophobicContact CG1-CD1 4.15Å; V584-L598 HydrophobicContact CG1-CD2 4.08Å
585	M	96.1	Very high	96.7	Very high	30 Å²	30	39.6 Å²	39.6	15%	0.148	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-35.6	-177.7	-172.7	-177.3	75.6	0	0	113.2	L581 Y582 L587 S588 L598 L631	L581-M585 WeakPolarHBondContact O-CB 3.34Å; L581-M585 PolarHBondContact O-N 2.93Å; Y582-M585 HydrophobicContact CD2-CE 3.71Å; Y582-M585 HydrophobicContact CE2-CE 3.9Å; Y582-M585 WeakPolarHBondContact O-CB 3.43Å; Y582-M585 PolarHBondContact O-N 2.86Å; M585-L587 PolarHBondContact O-N 3.06Å; M585-S588 WeakPolarHBondContact O-CB 3.06Å; M585-S588 PolarHBondContact O-N 3.39Å; M585-S588 PolarHBondContact O-OG 2.96Å; M585-L598 HydrophobicContact CB-CD1 4.14Å; M585-L631 WeakPolarHBondContact CE-O 3.45Å
586	Q	95.3	Very high	96.7	Very high	110 Å²	110	42.1 Å²	42.1	51%	0.514	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-21.2	175.3	-69.6	-61.9	-23.1	0	0	113.1	Y582 V584	Y582-Q586 HydrophobicContact CD1-CG 4.1Å; Y582-Q586 HydrophobicContact CE1-CG 3.98Å; Y582-Q586 WeakPolarHBondContact O-CG 3.32Å; Y582-Q586 PolarHBondContact O-N 2.88Å; Y582-Q586 PolarHBondContact OH-NE2 2.84Å; Y582-Q586 VanDerWaalsContact OH-NE2 3.17Å; V584-Q586 PolarHBondContact O-N 2.9Å
587	L	95.7	Very high	96.8	Very high	61 Å²	61	41.8 Å²	41.8	32%	0.319	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	18	174.9	-64.9	171.1	0	0	0	112.9	L478 V584 M585 S589 I590 N591	L478-L587 HydrophobicContact CB-CD1 3.56Å; L478-L587 HydrophobicContact CD1-CD1 4.28Å; V584-L587 PolarHBondContact O-N 2.94Å; V584-L587 VanDerWaalsContact O-N 3.11Å; M585-L587 PolarHBondContact O-N 3.06Å; L587-S589 PolarHBondContact O-N 3.18Å; L587-S589 VanDerWaalsContact O-N 3.16Å; L587-I590 HydrophobicContact CD2-CD1 4.4Å; L587-I590 PolarHBondContact O-N 3.29Å; L587-N591 VanDerWaalsContact O-CG 3.25Å; L587-N591 PolarHBondContact O-N 3.03Å; L587-N591 PolarHBondContact O-ND2 2.89Å; L587-N591 PolarHBondContact O-OD1 3.11Å
588	S	96.5	Very high	96.8	Very high	24 Å²	24	41.8 Å²	41.8	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-27.2	179.9	51.5	0	0	0	0	114.7	M585 I590 N591 Q592	M585-S588 WeakPolarHBondContact O-CB 3.06Å; M585-S588 PolarHBondContact O-N 3.39Å; M585-S588 PolarHBondContact O-OG 2.96Å; S588-I590 PolarHBondContact O-N 3.02Å; S588-N591 WeakPolarHBondContact CA-OD1 3.43Å; S588-Q592 WeakPolarHBondContact O-CA 3.12Å; S588-Q592 PolarHBondContact O-N 3.1Å
589	S	97.3	Very high	96.8	Very high	94 Å²	94	41.8 Å²	41.8	66%	0.657	21%	0.208	S	C	*	.	H	α-helix	trans	-61.7	-29.9	172.3	54	0	0	0	0	113.6	L587 Q592	L587-S589 PolarHBondContact O-N 3.18Å; L587-S589 VanDerWaalsContact O-N 3.16Å; S589-Q592 PolarHBondContact O-NE2 2.67Å
590	I	97.1	Very high	96.8	Very high	90 Å²	90	45.5 Å²	45.5	46%	0.462	23%	0.227	S	C	.	.	H	α-helix	trans	-98.6	-57.2	178.2	-51.9	171.9	0	0	0	109.3	D479 L587 S588 Q592	D479-I590 HydrophobicContact CB-CG2 3.9Å; L587-I590 HydrophobicContact CD2-CD1 4.4Å; L587-I590 PolarHBondContact O-N 3.29Å; S588-I590 PolarHBondContact O-N 3.02Å; I590-Q592 VanDerWaalsContact C-N 3.32Å; I590-Q592 PolarHBondContact O-N 3.34Å
591	N	96.7	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-79.8	-8.4	-171.7	71.9	32.4	0	0	0	114.6	L478 D479 G482 I483 V584 L587 S588 M593	L478-N591 VanDerWaalsContact O-CB 3.31Å; L478-N591 WeakPolarHBondContact O-CB 3.35Å; L478-N591 PolarHBondContact O-ND2 2.93Å; D479-N591 WeakPolarHBondContact O-CA 3.27Å; D479-N591 WeakPolarHBondContact O-CB 3.24Å; G482-N591 PolarHBondContact N-O 3.48Å; I483-N591 HydrophobicContact CG2-CB 4.11Å; V584-N591 PolarHBondContact O-ND2 3.43Å; L587-N591 VanDerWaalsContact O-CG 3.25Å; L587-N591 PolarHBondContact O-N 3.03Å; L587-N591 PolarHBondContact O-ND2 2.89Å; L587-N591 PolarHBondContact O-OD1 3.11Å; S588-N591 WeakPolarHBondContact CA-OD1 3.43Å; N591-M593 VanDerWaalsContact C-N 3.28Å; N591-M593 PolarHBondContact O-N 3.33Å; N591-M593 WeakPolarHBondContact OD1-CA 3.42Å; N591-M593 VanDerWaalsContact OD1-CB 3.31Å; N591-M593 WeakPolarHBondContact OD1-CB 3.3Å; N591-M593 PolarHBondContact OD1-N 3.25Å
592	Q	97.1	Very high	96.8	Very high	83 Å²	83	47 Å²	47	39%	0.388	24%	0.237	S	C	.	.			trans	64.9	18.7	179.6	-52.9	-60.6	-49.8	0	0	115.7	V481 S588 S589 I590 N597	V481-Q592 HydrophobicContact CG1-CG 4.16Å; S588-Q592 WeakPolarHBondContact O-CA 3.12Å; S588-Q592 PolarHBondContact O-N 3.1Å; S589-Q592 PolarHBondContact O-NE2 2.67Å; I590-Q592 VanDerWaalsContact C-N 3.32Å; I590-Q592 PolarHBondContact O-N 3.34Å; Q592-N597 PolarHBondContact O-ND2 2.87Å
593	M	97.5	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.			trans	-110.4	74.5	-176.5	-63.5	-60.5	-61.7	0	0	113	I483 R485 V584 N591 N597 L598 V601	I483-M593 HydrophobicContact CG2-CB 4.4Å; I483-M593 HydrophobicContact CG2-CG 3.94Å; I483-M593 WeakPolarHBondContact O-CE 3.1Å; I483-M593 WeakPolarHBondContact O-CG 3.19Å; R485-M593 HydrophobicContact CB-CE 3.93Å; R485-M593 HydrophobicContact CB-SD 3.75Å; V584-M593 HydrophobicContact CG1-CB 4.14Å; N591-M593 VanDerWaalsContact C-N 3.28Å; N591-M593 PolarHBondContact O-N 3.33Å; N591-M593 WeakPolarHBondContact OD1-CA 3.42Å; N591-M593 VanDerWaalsContact OD1-CB 3.31Å; N591-M593 WeakPolarHBondContact OD1-CB 3.3Å; N591-M593 PolarHBondContact OD1-N 3.25Å; M593-N597 HydrophobicContact CE-CB 3.8Å; M593-N597 HydrophobicContact SD-CB 4.07Å; M593-L598 HydrophobicContact CB-CD2 4.07Å; M593-L598 HydrophobicContact CB-CG 4.21Å; M593-L598 HydrophobicContact CE-CD2 3.71Å; M593-L598 HydrophobicContact CE-CG 4.21Å; M593-V601 HydrophobicContact CE-CG2 4.38Å
594	H	97	Very high	96.6	Very high	89 Å²	89	44.8 Å²	44.8	41%	0.412	23%	0.234	S	C	.	.			trans	-61.7	166	168.2	-50.4	92.7	0	0	0	112.9	Y596 N597 L598	H594-Y596 PolarHBondContact O-N 2.9Å; H594-N597 WeakPolarHBondContact O-CB 3.37Å; H594-N597 PolarHBondContact O-N 2.86Å; H594-L598 PolarHBondContact O-N 3Å; H594-L598 VanDerWaalsContact O-N 3.07Å
595	S	97.1	Very high	96.5	Very high	27 Å²	27	45.4 Å²	45.4	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-42.8	-56.6	176.5	52.5	0	0	0	0	113.1	N597 L598 A599 E628	S595-N597 VanDerWaalsContact C-N 3.33Å; S595-N597 PolarHBondContact O-N 2.75Å; S595-L598 PolarHBondContact O-N 2.89Å; S595-L598 VanDerWaalsContact O-N 3.16Å; S595-A599 WeakPolarHBondContact O-CB 3.41Å; S595-A599 PolarHBondContact O-N 2.82Å; S595-E628 PolarHBondContact OG-OE1 2.78Å
596	Y	96.9	Very high	96.6	Very high	126 Å²	126	44 Å²	44	49%	0.494	23%	0.231	S	C	.	.	H	α-helix	trans	-57.2	-41.4	179.4	-168.8	-112.3	0	0	0	113.2	H594 A599 I600 V624 E628	H594-Y596 PolarHBondContact O-N 2.9Å; Y596-A599 PolarHBondContact O-N 3.44Å; Y596-I600 HydrophobicContact CD1-CD1 3.72Å; Y596-I600 HydrophobicContact CE1-CD1 3.34Å; Y596-I600 HydrophobicContact CE1-CG1 4.34Å; Y596-I600 HydrophobicContact CE2-CD1 4.47Å; Y596-I600 HydrophobicContact CG-CD1 4.43Å; Y596-I600 WeakPolarHBondContact O-CG1 3.34Å; Y596-I600 PolarHBondContact O-N 3.38Å; Y596-V624 HydrophobicContact CD2-CG1 4.31Å; Y596-V624 HydrophobicContact CE2-CG1 4.06Å; Y596-E628 WeakPolarHBondContact CA-OE1 3.33Å; Y596-E628 VanDerWaalsContact CB-OE1 3.3Å; Y596-E628 WeakPolarHBondContact CB-OE1 3.45Å; Y596-E628 WeakPolarHBondContact CD2-OE2 3.49Å; Y596-E628 PolarHBondContact N-OE1 3.27Å
597	N	97.3	Very high	96.6	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-66.9	-38.4	179.6	-73.8	-12	0	0	0	111.3	Q592 M593 H594 S595 V601	Q592-N597 PolarHBondContact O-ND2 2.87Å; M593-N597 HydrophobicContact CE-CB 3.8Å; M593-N597 HydrophobicContact SD-CB 4.07Å; H594-N597 WeakPolarHBondContact O-CB 3.37Å; H594-N597 PolarHBondContact O-N 2.86Å; S595-N597 VanDerWaalsContact C-N 3.33Å; S595-N597 PolarHBondContact O-N 2.75Å; N597-V601 WeakPolarHBondContact O-CG2 3.33Å; N597-V601 PolarHBondContact O-N 3.03Å
598	L	97.9	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.9	-42	174.2	-66.8	170.5	0	0	0	111.1	Y484 L581 V584 M585 M593 H594 S595 I600 V601 F602 L631	Y484-L598 HydrophobicContact CD2-CD2 4.48Å; L581-L598 HydrophobicContact CD2-CD2 4.38Å; V584-L598 HydrophobicContact CB-CD1 4.37Å; V584-L598 HydrophobicContact CG1-CD1 4.15Å; V584-L598 HydrophobicContact CG1-CD2 4.08Å; M585-L598 HydrophobicContact CB-CD1 4.14Å; M593-L598 HydrophobicContact CB-CD2 4.07Å; M593-L598 HydrophobicContact CB-CG 4.21Å; M593-L598 HydrophobicContact CE-CD2 3.71Å; M593-L598 HydrophobicContact CE-CG 4.21Å; H594-L598 PolarHBondContact O-N 3Å; H594-L598 VanDerWaalsContact O-N 3.07Å; S595-L598 PolarHBondContact O-N 2.89Å; S595-L598 VanDerWaalsContact O-N 3.16Å; L598-I600 PolarHBondContact O-N 2.7Å; L598-V601 PolarHBondContact O-N 2.82Å; L598-V601 VanDerWaalsContact O-N 3.1Å; L598-F602 WeakPolarHBondContact O-CB 3.08Å; L598-F602 WeakPolarHBondContact O-CD2 3.47Å; L598-F602 PolarHBondContact O-N 3.5Å; L598-L631 HydrophobicContact CB-CD1 3.72Å; L598-L631 HydrophobicContact CD1-CD1 4.41Å
599	A	97.6	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-38.3	178.5	0	0	0	0	0	113.2	S595 Y596 V601 F602 G603 V624 I627 E628	S595-A599 WeakPolarHBondContact O-CB 3.41Å; S595-A599 PolarHBondContact O-N 2.82Å; Y596-A599 PolarHBondContact O-N 3.44Å; A599-V601 VanDerWaalsContact C-N 3.33Å; A599-V601 PolarHBondContact O-N 3.29Å; A599-F602 PolarHBondContact O-N 3.21Å; A599-G603 PolarHBondContact O-N 3.42Å; A599-V624 HydrophobicContact CB-CG1 3.83Å; A599-I627 HydrophobicContact CB-CB 4.08Å; A599-I627 HydrophobicContact CB-CG2 4.16Å; A599-E628 HydrophobicContact CB-CB 3.81Å
600	I	95.7	Very high	95.9	Very high	80 Å²	80	41.2 Å²	41.2	41%	0.41	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-40.2	171.7	-74.9	168.4	0	0	0	112	Y596 L598 V624	Y596-I600 HydrophobicContact CD1-CD1 3.72Å; Y596-I600 HydrophobicContact CE1-CD1 3.34Å; Y596-I600 HydrophobicContact CE1-CG1 4.34Å; Y596-I600 HydrophobicContact CE2-CD1 4.47Å; Y596-I600 HydrophobicContact CG-CD1 4.43Å; Y596-I600 WeakPolarHBondContact O-CG1 3.34Å; Y596-I600 PolarHBondContact O-N 3.38Å; L598-I600 PolarHBondContact O-N 2.7Å; I600-V624 HydrophobicContact CG1-CG1 4.12Å; I600-V624 HydrophobicContact CG1-CG2 4.44Å
601	V	96.5	Very high	95.3	Very high	32 Å²	32	42.7 Å²	42.7	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-71.6	-39.5	-179.5	170.5	0	0	0	0	111.3	R485 K522 M593 N597 L598 A599	R485-V601 HydrophobicContact CB-CG2 4.49Å; K522-V601 HydrophobicContact CD-CG1 3.65Å; K522-V601 HydrophobicContact CG-CG1 4.42Å; M593-V601 HydrophobicContact CE-CG2 4.38Å; N597-V601 WeakPolarHBondContact O-CG2 3.33Å; N597-V601 PolarHBondContact O-N 3.03Å; L598-V601 PolarHBondContact O-N 2.82Å; L598-V601 VanDerWaalsContact O-N 3.1Å; A599-V601 VanDerWaalsContact C-N 3.33Å; A599-V601 PolarHBondContact O-N 3.29Å
602	F	97.6	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-101.3	-26	-168.7	-80.3	-68.9	0	0	0	116	Y484 K522 F577 L581 L598 A599 S605 L606 I627	Y484-F602 HydrophobicContact CD1-CE1 4.5Å; Y484-F602 AromaticContact CD1-CE2 3.86Å; Y484-F602 HydrophobicContact CD1-CE2 3.86Å; Y484-F602 AromaticContact CD1-CZ 3.38Å; Y484-F602 HydrophobicContact CD1-CZ 3.38Å; Y484-F602 HydrophobicContact CD2-CE2 4.19Å; Y484-F602 HydrophobicContact CD2-CZ 4.41Å; Y484-F602 HydrophobicContact CE1-CE2 4.39Å; Y484-F602 AromaticContact CE1-CZ 3.67Å; Y484-F602 HydrophobicContact CE1-CZ 3.67Å; Y484-F602 AromaticContact CG-CE2 3.74Å; Y484-F602 HydrophobicContact CG-CE2 3.74Å; Y484-F602 AromaticContact CG-CZ 3.78Å; Y484-F602 HydrophobicContact CG-CZ 3.78Å; K522-F602 HydrophobicContact CG-CE1 3.7Å; K522-F602 HydrophobicContact CG-CZ 3.89Å; F577-F602 HydrophobicContact CE1-CD1 4.16Å; F577-F602 HydrophobicContact CE1-CE1 4.17Å; F577-F602 HydrophobicContact CE2-CE1 4.44Å; F577-F602 HydrophobicContact CE2-CZ 4.46Å; F577-F602 AromaticContact CZ-CD1 3.95Å; F577-F602 HydrophobicContact CZ-CD1 3.95Å; F577-F602 AromaticContact CZ-CE1 3.5Å; F577-F602 HydrophobicContact CZ-CE1 3.5Å; F577-F602 VanDerWaalsContact CZ-CE1 3.5Å; F577-F602 HydrophobicContact CZ-CE2 4.19Å; F577-F602 HydrophobicContact CZ-CG 4.47Å; F577-F602 AromaticContact CZ-CZ 3.62Å; F577-F602 HydrophobicContact CZ-CZ 3.62Å; L581-F602 HydrophobicContact CD1-CD2 3.74Å; L581-F602 HydrophobicContact CD1-CE2 3.99Å; L581-F602 HydrophobicContact CD1-CG 4.25Å; L581-F602 HydrophobicContact CD2-CD2 4.28Å; L581-F602 HydrophobicContact CD2-CE2 3.69Å; L581-F602 HydrophobicContact CD2-CZ 4.23Å; L581-F602 HydrophobicContact CG-CE2 4.5Å; L598-F602 WeakPolarHBondContact O-CB 3.08Å; L598-F602 WeakPolarHBondContact O-CD2 3.47Å; L598-F602 PolarHBondContact O-N 3.5Å; A599-F602 PolarHBondContact O-N 3.21Å; F602-S605 CarbonylContact O-C 3.45Å; F602-S605 WeakPolarHBondContact O-CA 3.28Å; F602-S605 PolarHBondContact O-N 2.86Å; F602-L606 HydrophobicContact CB-CD1 3.74Å; F602-L606 HydrophobicContact CB-CG 4.1Å; F602-L606 HydrophobicContact CD1-CD1 4.29Å; F602-L606 HydrophobicContact CD1-CD2 4.47Å; F602-L606 HydrophobicContact CD1-CG 4.24Å; F602-L606 HydrophobicContact CG-CD1 4.29Å; F602-L606 WeakPolarHBondContact O-CG 3.48Å; F602-L606 PolarHBondContact O-N 3.12Å; F602-I627 HydrophobicContact CB-CG2 4.2Å
603	G	95.7	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-46.9	-55.8	177.9	0	0	0	0	0	113.2	A599 S605 L606 I607 Q623	A599-G603 PolarHBondContact O-N 3.42Å; G603-S605 PolarHBondContact O-N 3.47Å; G603-L606 PolarHBondContact O-N 2.85Å; G603-I607 WeakPolarHBondContact O-CG2 3.17Å; G603-I607 PolarHBondContact O-N 2.89Å; G603-I607 VanDerWaalsContact O-O 3.11Å; G603-Q623 WeakPolarHBondContact CA-O 3.47Å
604	P	93.3	Very high	91.1	Very high	46 Å²	46	57.5 Å²	57.5	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-67.8	-0.2	177.3	-20.8	34	0	0	0	116.1
605	S	95.2	Very high	89.4	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-123.9	-3.2	-177.8	-52.4	0	0	0	0	113.6	F525 F602 G603	F525-S605 CarbonylContact C-O 3.35Å; F525-S605 WeakPolarHBondContact CB-O 3.33Å; F602-S605 CarbonylContact O-C 3.45Å; F602-S605 WeakPolarHBondContact O-CA 3.28Å; F602-S605 PolarHBondContact O-N 2.86Å; G603-S605 PolarHBondContact O-N 3.47Å
606	L	97.7	Very high	88	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-122.5	-23.5	-178.9	-64.6	-178.1	0	0	0	113.9	F525 P531 L532 I533 F577 F578 F602 G603 I627	F525-L606 HydrophobicContact CB-CD2 3.86Å; F525-L606 HydrophobicContact CD1-CD2 3.94Å; F525-L606 HydrophobicContact CD2-CD2 3.94Å; F525-L606 HydrophobicContact CE1-CD2 4.45Å; F525-L606 HydrophobicContact CE2-CD2 4.44Å; F525-L606 HydrophobicContact CG-CD2 3.67Å; P531-L606 WeakPolarHBondContact CB-O 3.19Å; L532-L606 HydrophobicContact CB-CD2 4.21Å; L532-L606 HydrophobicContact CD2-CD2 3.86Å; L532-L606 PolarHBondContact N-O 3.12Å; L532-L606 VanDerWaalsContact N-O 3.13Å; I533-L606 PolarHBondContact N-O 2.85Å; F577-L606 HydrophobicContact CD1-CD1 4.34Å; F577-L606 HydrophobicContact CD1-CD2 4.42Å; F577-L606 HydrophobicContact CE1-CD1 3.89Å; F577-L606 HydrophobicContact CE1-CD2 4.14Å; F578-L606 HydrophobicContact CZ-CD1 4.27Å; F602-L606 HydrophobicContact CB-CD1 3.74Å; F602-L606 HydrophobicContact CB-CG 4.1Å; F602-L606 HydrophobicContact CD1-CD1 4.29Å; F602-L606 HydrophobicContact CD1-CD2 4.47Å; F602-L606 HydrophobicContact CD1-CG 4.24Å; F602-L606 HydrophobicContact CG-CD1 4.29Å; F602-L606 WeakPolarHBondContact O-CG 3.48Å; F602-L606 PolarHBondContact O-N 3.12Å; G603-L606 PolarHBondContact O-N 2.85Å; L606-I627 HydrophobicContact CB-CD1 3.91Å; L606-I627 HydrophobicContact CD1-CD1 3.76Å; L606-I627 HydrophobicContact CD1-CG1 4.29Å; L606-I627 HydrophobicContact CD1-CG2 4.39Å; L606-I627 HydrophobicContact CG-CD1 4.49Å
607	I	95.7	Very high	86.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.337	C	S	.	.			trans	-147.3	126.9	-174.1	179.3	171.4	0	0	0	109.4	I533 Y538 V541 G603 V622 Q623 C626 I627	I533-I607 HydrophobicContact CB-CB 4.05Å; I533-I607 HydrophobicContact CB-CD1 4.24Å; I533-I607 HydrophobicContact CB-CG1 4.2Å; I533-I607 HydrophobicContact CG1-CB 4.26Å; I533-I607 HydrophobicContact CG2-CD1 4.05Å; I533-I607 HydrophobicContact CG2-CG1 4.46Å; Y538-I607 HydrophobicContact CD2-CD1 3.98Å; Y538-I607 HydrophobicContact CD2-CG1 3.48Å; Y538-I607 VanDerWaalsContact CD2-CG1 3.48Å; Y538-I607 HydrophobicContact CE2-CD1 4.34Å; Y538-I607 HydrophobicContact CE2-CG1 3.84Å; V541-I607 HydrophobicContact CG1-CD1 4.23Å; G603-I607 WeakPolarHBondContact O-CG2 3.17Å; G603-I607 PolarHBondContact O-N 2.89Å; G603-I607 VanDerWaalsContact O-O 3.11Å; I607-V622 HydrophobicContact CD1-CG1 4.44Å; I607-Q623 HydrophobicContact CG2-CB 4.42Å; I607-Q623 HydrophobicContact CG2-CG 4.23Å; I607-Q623 WeakPolarHBondContact O-CG 3.37Å; I607-Q623 PolarHBondContact O-NE2 2.93Å; I607-C626 HydrophobicContact CD1-CB 4.09Å; I607-I627 HydrophobicContact CG2-CD1 4Å; I607-I627 HydrophobicContact CG2-CG1 4.18Å
608	W	92.7	Very high	84.6	Confident	53 Å²	53	65.6 Å²	65.6	20%	0.201	34%	0.343	C	S	.	.			trans	-157.5	154.2	173.3	60.5	89.2	0	0	0	109.5	F525 L528 P531 F535 Y538	F525-W608 WeakPolarHBondContact O-CH2 3.44Å; L528-W608 WeakPolarHBondContact O-CZ2 3.46Å; P531-W608 HydrophobicContact CB-CD2 3.86Å; P531-W608 HydrophobicContact CB-CE3 3.74Å; P531-W608 HydrophobicContact CB-CH2 3.91Å; P531-W608 HydrophobicContact CB-CZ2 4.04Å; P531-W608 HydrophobicContact CB-CZ3 3.76Å; P531-W608 HydrophobicContact CG-CD2 4.12Å; P531-W608 HydrophobicContact CG-CE3 4.49Å; P531-W608 HydrophobicContact CG-CG 4.45Å; P531-W608 HydrophobicContact CG-CZ2 4.36Å; F535-W608 WeakPolarHBondContact CD1-O 3.46Å; F535-W608 AromaticContact CE1-CD1 3.65Å; F535-W608 AromaticContact CE1-NE1 3.55Å; F535-W608 AromaticContact CZ-NE1 3.72Å; Y538-W608 WeakPolarHBondContact CD2-O 3.48Å
609	P	91.4	Very high	83.1	Confident	27 Å²	27	66.9 Å²	66.9	18%	0.175	35%	0.349	C	S	.	.			trans	-74.4	156.5	179.4	31.5	-34.9	0	0	0	111.2	Y538 V611 L619	Y538-P609 HydrophobicContact CD1-CB 4.15Å; Y538-P609 HydrophobicContact CD2-CB 4.45Å; Y538-P609 HydrophobicContact CE1-CB 4Å; Y538-P609 HydrophobicContact CE2-CB 4.3Å; Y538-P609 HydrophobicContact CE2-CG 4.42Å; Y538-P609 HydrophobicContact CG-CB 4.41Å; P609-V611 VanDerWaalsContact C-N 3.28Å; P609-V611 WeakPolarHBondContact CG-O 3.43Å; P609-V611 PolarHBondContact O-N 2.74Å; P609-L619 VanDerWaalsContact CD-CD2 3.49Å; P609-L619 HydrophobicContact CG-CD2 3.53Å
610	E	90.5	Very high	82.1	Confident	152 Å²	152	71.5 Å²	71.5	71%	0.71	37%	0.369	S	S	*	.	S	Bend	trans	-64.5	-32.9	178.1	-169.9	175.9	-174.1	0	0	112.6	F535	F535-E610 HydrophobicContact CB-CB 4.14Å; F535-E610 HydrophobicContact CD1-CB 3.77Å; F535-E610 HydrophobicContact CD1-CG 4.48Å; F535-E610 HydrophobicContact CD2-CB 4.21Å; F535-E610 HydrophobicContact CD2-CG 4.09Å; F535-E610 HydrophobicContact CE1-CB 4.16Å; F535-E610 HydrophobicContact CE2-CG 4.3Å; F535-E610 HydrophobicContact CG-CB 3.8Å; F535-E610 HydrophobicContact CG-CG 4.19Å
611	V	85.1	Confident	81.6	Confident	121 Å²	121	71.3 Å²	71.3	73%	0.733	38%	0.375	S	S	*	.	S	Bend	trans	-104.3	121.2	176	-177.1	0	0	0	0	109.4	P609 S613	P609-V611 VanDerWaalsContact C-N 3.28Å; P609-V611 WeakPolarHBondContact CG-O 3.43Å; P609-V611 PolarHBondContact O-N 2.74Å; V611-S613 PolarHBondContact O-N 3.31Å
612	E	73.3	Confident	81.3	Confident	185 Å²	185	69.9 Å²	69.9	86%	0.864	37%	0.367	S	S	*	.			trans	-63	107.4	177.2	-70.8	-168.7	165	0	0	111.5	V614	E612-V614 PolarHBondContact O-N 2.8Å
613	S	66.5	Low	81.2	Confident	57 Å²	57	70.2 Å²	70.2	40%	0.399	37%	0.368	S	S	.	.			trans	-74.1	121.7	170	-177.5	0	0	0	0	110.6	V611 A615	V611-S613 PolarHBondContact O-N 3.31Å; S613-A615 PolarHBondContact O-N 2.71Å; S613-A615 PolarHBondContact OG-N 2.98Å
614	V	61.9	Low	81.1	Confident	152 Å²	152	71 Å²	71	92%	0.921	37%	0.373	S	S	*	.	S	Bend	trans	-55.1	-26.4	174.5	-172.6	0	0	0	0	111.6	E612 Y616	E612-V614 PolarHBondContact O-N 2.8Å; V614-Y616 VanDerWaalsContact C-N 3.34Å; V614-Y616 PolarHBondContact O-N 3.26Å
615	A	62.7	Low	81.3	Confident	54 Å²	54	71.3 Å²	71.3	45%	0.446	38%	0.375	S	S	.	.			trans	-79.4	74.7	176	0	0	0	0	0	112	S613 R617 A618	S613-A615 PolarHBondContact O-N 2.71Å; S613-A615 PolarHBondContact OG-N 2.98Å; A615-R617 PolarHBondContact O-N 3.13Å; A615-A618 HydrophobicContact CB-CB 4.29Å; A615-A618 WeakPolarHBondContact O-CB 3.34Å; A615-A618 PolarHBondContact O-N 3.17Å
616	Y	66.6	Low	81.3	Confident	133 Å²	133	70.8 Å²	70.8	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-49.9	-22.5	177.5	-179.8	-103.8	0	0	0	115.1	V614 L619 K620	V614-Y616 VanDerWaalsContact C-N 3.34Å; V614-Y616 PolarHBondContact O-N 3.26Å; Y616-L619 HydrophobicContact CD2-CD1 4.08Å; Y616-K620 HydrophobicContact CE1-CD 4.39Å; Y616-K620 WeakPolarHBondContact OH-CE 3.36Å
617	R	61.3	Low	81.3	Confident	229 Å²	229	70.8 Å²	70.8	86%	0.864	37%	0.371	S	S	*	.	H	α-helix	trans	-65.5	-39.8	171.4	-68.7	-176.2	-179.4	172	0.2	113.1	A615 L619 K620	A615-R617 PolarHBondContact O-N 3.13Å; R617-L619 VanDerWaalsContact C-N 3.31Å; R617-L619 PolarHBondContact O-N 2.93Å; R617-K620 PolarHBondContact O-N 3.39Å
618	A	62.5	Low	81.4	Confident	45 Å²	45	73.3 Å²	73.3	37%	0.372	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-23.7	-178.3	0	0	0	0	0	113	A615 S621	A615-A618 HydrophobicContact CB-CB 4.29Å; A615-A618 WeakPolarHBondContact O-CB 3.34Å; A615-A618 PolarHBondContact O-N 3.17Å; A618-S621 WeakPolarHBondContact CA-OG 3.41Å; A618-S621 PolarHBondContact O-OG 2.69Å
619	L	66.7	Low	81.6	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-45.7	169.6	-59.9	177	0	0	0	110.4	P609 Y616 R617 S621 V622 Q623	P609-L619 VanDerWaalsContact CD-CD2 3.49Å; P609-L619 HydrophobicContact CG-CD2 3.53Å; Y616-L619 HydrophobicContact CD2-CD1 4.08Å; R617-L619 VanDerWaalsContact C-N 3.31Å; R617-L619 PolarHBondContact O-N 2.93Å; L619-S621 VanDerWaalsContact C-N 3.32Å; L619-S621 PolarHBondContact O-N 3.22Å; L619-V622 PolarHBondContact O-N 2.76Å; L619-Q623 VanDerWaalsContact O-CB 3.29Å; L619-Q623 WeakPolarHBondContact O-CB 3.48Å; L619-Q623 WeakPolarHBondContact O-CG 3.35Å; L619-Q623 PolarHBondContact O-N 3.17Å
620	K	76.1	Confident	81.9	Confident	97 Å²	97	71 Å²	71	42%	0.422	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-27.7	-176.5	-71.2	-162.7	171.9	-170.1	0	114.7	Y616 R617 V622 V624	Y616-K620 HydrophobicContact CE1-CD 4.39Å; Y616-K620 WeakPolarHBondContact OH-CE 3.36Å; R617-K620 PolarHBondContact O-N 3.39Å; K620-V622 VanDerWaalsContact C-N 3.28Å; K620-V622 PolarHBondContact O-N 3.15Å; K620-V624 PolarHBondContact O-N 2.86Å
621	S	84.2	Confident	82.2	Confident	76 Å²	76	63.8 Å²	63.8	53%	0.531	34%	0.337	S	S	.	.	H	α-helix	trans	-67.9	-24.4	177	36.9	0	0	0	0	113.7	A618 L619 P625	A618-S621 WeakPolarHBondContact CA-OG 3.41Å; A618-S621 PolarHBondContact O-OG 2.69Å; L619-S621 VanDerWaalsContact C-N 3.32Å; L619-S621 PolarHBondContact O-N 3.22Å; S621-P625 WeakPolarHBondContact O-CD 3.48Å; S621-P625 VanDerWaalsContact O-CG 3.32Å; S621-P625 WeakPolarHBondContact O-CG 3.35Å
622	V	91.6	Very high	82.7	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-96.7	-46.4	173	-167.2	0	0	0	0	110.6	Y538 V541 D542 L545 I607 L619 K620 V624 C626	Y538-V622 HydrophobicContact CE1-CG1 4.43Å; Y538-V622 HydrophobicContact CE1-CG2 4.38Å; Y538-V622 HydrophobicContact CE2-CG1 4.33Å; Y538-V622 WeakPolarHBondContact OH-CG2 3.17Å; V541-V622 HydrophobicContact CG1-CG1 4.29Å; D542-V622 HydrophobicContact CB-CG1 4.08Å; D542-V622 HydrophobicContact CB-CG2 3.97Å; D542-V622 VanDerWaalsContact CG-CG2 3.4Å; D542-V622 VanDerWaalsContact OD1-CG2 3.29Å; D542-V622 WeakPolarHBondContact OD1-CG2 3.35Å; L545-V622 HydrophobicContact CD1-CG1 4.42Å; I607-V622 HydrophobicContact CD1-CG1 4.44Å; L619-V622 PolarHBondContact O-N 2.76Å; K620-V622 VanDerWaalsContact C-N 3.28Å; K620-V622 PolarHBondContact O-N 3.15Å; V622-V624 PolarHBondContact O-N 3.22Å; V622-C626 WeakPolarHBondContact O-CB 3.34Å; V622-C626 PolarHBondContact O-N 3.18Å
623	Q	94	Very high	83.8	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-46	-169.7	-75.1	179.5	-32.4	0	0	114.2	G603 I607 L619 I627	G603-Q623 WeakPolarHBondContact CA-O 3.47Å; I607-Q623 HydrophobicContact CG2-CB 4.42Å; I607-Q623 HydrophobicContact CG2-CG 4.23Å; I607-Q623 WeakPolarHBondContact O-CG 3.37Å; I607-Q623 PolarHBondContact O-NE2 2.93Å; L619-Q623 VanDerWaalsContact O-CB 3.29Å; L619-Q623 WeakPolarHBondContact O-CB 3.48Å; L619-Q623 WeakPolarHBondContact O-CG 3.35Å; L619-Q623 PolarHBondContact O-N 3.17Å; Q623-I627 WeakPolarHBondContact O-CG1 3.44Å
624	V	95.2	Very high	85.2	Confident	17 Å²	17	52 Å²	52	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-77.5	-49.8	-177.3	-178	0	0	0	0	110.9	Y596 A599 I600 K620 V622 C626 I627 E628	Y596-V624 HydrophobicContact CD2-CG1 4.31Å; Y596-V624 HydrophobicContact CE2-CG1 4.06Å; A599-V624 HydrophobicContact CB-CG1 3.83Å; I600-V624 HydrophobicContact CG1-CG1 4.12Å; I600-V624 HydrophobicContact CG1-CG2 4.44Å; K620-V624 PolarHBondContact O-N 2.86Å; V622-V624 PolarHBondContact O-N 3.22Å; V624-C626 VanDerWaalsContact C-N 3.31Å; V624-C626 PolarHBondContact O-N 2.78Å; V624-I627 PolarHBondContact O-N 2.95Å; V624-E628 WeakPolarHBondContact O-CB 3.45Å; V624-E628 PolarHBondContact O-N 2.94Å
625	P	95.5	Very high	86.8	Confident	52 Å²	52	49.4 Å²	49.4	34%	0.338	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-33.8	179.1	-26.7	39.1	0	0	0	113.9	L545 S621 E628 Y629	L545-P625 HydrophobicContact CD1-CB 4.41Å; S621-P625 WeakPolarHBondContact O-CD 3.48Å; S621-P625 VanDerWaalsContact O-CG 3.32Å; S621-P625 WeakPolarHBondContact O-CG 3.35Å; P625-E628 PolarHBondContact O-N 3.21Å; P625-Y629 WeakPolarHBondContact O-CB 3.47Å; P625-Y629 PolarHBondContact O-N 2.81Å
626	C	96.9	Very high	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-52.6	174	174.8	0	0	0	0	112.1	V541 L545 I607 V622 V624 Y629 L630	V541-C626 HydrophobicContact CG1-CB 3.95Å; L545-C626 HydrophobicContact CD1-CB 3.77Å; I607-C626 HydrophobicContact CD1-CB 4.09Å; V622-C626 WeakPolarHBondContact O-CB 3.34Å; V622-C626 PolarHBondContact O-N 3.18Å; V624-C626 VanDerWaalsContact C-N 3.31Å; V624-C626 PolarHBondContact O-N 2.78Å; C626-Y629 PolarHBondContact O-N 3.36Å; C626-L630 WeakPolarHBondContact O-CB 3.46Å; C626-L630 VanDerWaalsContact O-CG 3.28Å; C626-L630 WeakPolarHBondContact O-CG 3.49Å; C626-L630 PolarHBondContact O-N 2.99Å
627	I	97.5	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-34.8	-177.4	-57	-49.8	0	0	0	111.1	F578 A599 F602 L606 I607 Q623 V624 L630 L631	F578-I627 HydrophobicContact CE1-CD1 4.47Å; F578-I627 HydrophobicContact CE1-CG2 4.16Å; F578-I627 HydrophobicContact CZ-CD1 3.91Å; A599-I627 HydrophobicContact CB-CB 4.08Å; A599-I627 HydrophobicContact CB-CG2 4.16Å; F602-I627 HydrophobicContact CB-CG2 4.2Å; L606-I627 HydrophobicContact CB-CD1 3.91Å; L606-I627 HydrophobicContact CD1-CD1 3.76Å; L606-I627 HydrophobicContact CD1-CG1 4.29Å; L606-I627 HydrophobicContact CD1-CG2 4.39Å; L606-I627 HydrophobicContact CG-CD1 4.49Å; I607-I627 HydrophobicContact CG2-CD1 4Å; I607-I627 HydrophobicContact CG2-CG1 4.18Å; Q623-I627 WeakPolarHBondContact O-CG1 3.44Å; V624-I627 PolarHBondContact O-N 2.95Å; I627-L630 HydrophobicContact CD1-CD1 4.36Å; I627-L631 HydrophobicContact CG2-CD1 3.94Å; I627-L631 HydrophobicContact CG2-CG 4.38Å; I627-L631 VanDerWaalsContact O-CB 3.31Å; I627-L631 WeakPolarHBondContact O-CB 3.39Å; I627-L631 WeakPolarHBondContact O-CG 3.37Å; I627-L631 PolarHBondContact O-N 2.87Å
628	E	97.1	Very high	91.4	Very high	53 Å²	53	34.5 Å²	34.5	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-42.8	174.1	179.8	158.3	-130.9	0	0	112.6	S595 Y596 A599 V624 P625 L631 T632	S595-E628 PolarHBondContact OG-OE1 2.78Å; Y596-E628 WeakPolarHBondContact CA-OE1 3.33Å; Y596-E628 VanDerWaalsContact CB-OE1 3.3Å; Y596-E628 WeakPolarHBondContact CB-OE1 3.45Å; Y596-E628 WeakPolarHBondContact CD2-OE2 3.49Å; Y596-E628 PolarHBondContact N-OE1 3.27Å; A599-E628 HydrophobicContact CB-CB 3.81Å; V624-E628 WeakPolarHBondContact O-CB 3.45Å; V624-E628 PolarHBondContact O-N 2.94Å; P625-E628 PolarHBondContact O-N 3.21Å; E628-L631 PolarHBondContact O-N 2.85Å; E628-T632 WeakPolarHBondContact O-CB 3.36Å; E628-T632 PolarHBondContact O-N 3.32Å; E628-T632 PolarHBondContact O-OG1 2.88Å
629	Y	97.1	Very high	92.8	Very high	33 Å²	33	33.4 Å²	33.4	13%	0.129	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-46.1	176.2	-165.8	-98.8	0	0	0	111.1	L545 K555 V556 M559 P625 C626 L631 T632 H633 I637	L545-Y629 HydrophobicContact CD2-CG 4.4Å; K555-Y629 VanDerWaalsContact C-OH 3.27Å; K555-Y629 WeakPolarHBondContact CB-OH 3.46Å; K555-Y629 WeakPolarHBondContact CG-OH 3.48Å; V556-Y629 WeakPolarHBondContact CG2-OH 3.49Å; V556-Y629 PolarHBondContact N-OH 2.96Å; V556-Y629 VanDerWaalsContact N-OH 3.08Å; M559-Y629 HydrophobicContact CB-CD1 4.4Å; M559-Y629 HydrophobicContact CB-CE1 3.95Å; M559-Y629 HydrophobicContact CG-CD1 4.02Å; M559-Y629 HydrophobicContact CG-CE1 4.1Å; P625-Y629 WeakPolarHBondContact O-CB 3.47Å; P625-Y629 PolarHBondContact O-N 2.81Å; C626-Y629 PolarHBondContact O-N 3.36Å; Y629-L631 VanDerWaalsContact C-N 3.26Å; Y629-L631 PolarHBondContact O-N 3.44Å; Y629-T632 PolarHBondContact O-N 2.95Å; Y629-H633 AromaticContact CD2-CD2 3.68Å; Y629-H633 AromaticContact CD2-NE2 3.94Å; Y629-H633 AromaticContact CE1-CD2 3.95Å; Y629-H633 AromaticContact CE2-CD2 3.47Å; Y629-H633 VanDerWaalsContact CE2-CD2 3.47Å; Y629-H633 WeakPolarHBondContact CE2-CD2 3.27Å; Y629-H633 AromaticContact CE2-NE2 3.46Å; Y629-H633 WeakPolarHBondContact CE2-NE2 3.45Å; Y629-H633 AromaticContact CG-CD2 3.99Å; Y629-H633 AromaticContact CZ-CD2 3.62Å; Y629-H633 AromaticContact CZ-NE2 3.86Å; Y629-H633 PolarHBondContact O-CD2 3.02Å; Y629-H633 PolarHBondContact O-N 2.92Å; Y629-I637 HydrophobicContact CD1-CD1 4.24Å; Y629-I637 HydrophobicContact CE1-CD1 4.2Å
630	L	97.7	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-29.4	174.8	-71.4	171.5	0	0	0	113.3	I533 M559 I563 F578 C626 I627 V634 I637 F638	I533-L630 HydrophobicContact CD1-CD1 4.11Å; M559-L630 HydrophobicContact CE-CD1 3.97Å; M559-L630 HydrophobicContact CE-CD2 3.75Å; M559-L630 HydrophobicContact CE-CG 3.74Å; M559-L630 HydrophobicContact CG-CD2 4.04Å; I563-L630 HydrophobicContact CD1-CD1 4.29Å; I563-L630 HydrophobicContact CD1-CD2 4Å; I563-L630 HydrophobicContact CG1-CD2 3.97Å; F578-L630 HydrophobicContact CD1-CB 3.93Å; F578-L630 HydrophobicContact CE1-CB 3.4Å; F578-L630 VanDerWaalsContact CE1-CB 3.4Å; F578-L630 HydrophobicContact CE1-CD1 4.11Å; F578-L630 HydrophobicContact CE1-CG 4.38Å; F578-L630 HydrophobicContact CE2-CB 4.48Å; F578-L630 HydrophobicContact CE2-CD1 4Å; F578-L630 HydrophobicContact CZ-CB 3.72Å; F578-L630 HydrophobicContact CZ-CD1 3.5Å; F578-L630 VanDerWaalsContact CZ-CD1 3.5Å; F578-L630 HydrophobicContact CZ-CG 4.23Å; C626-L630 WeakPolarHBondContact O-CB 3.46Å; C626-L630 VanDerWaalsContact O-CG 3.28Å; C626-L630 WeakPolarHBondContact O-CG 3.49Å; C626-L630 PolarHBondContact O-N 2.99Å; I627-L630 HydrophobicContact CD1-CD1 4.36Å; L630-V634 WeakPolarHBondContact O-CG2 3.22Å; L630-I637 HydrophobicContact CD2-CD1 3.89Å; L630-I637 HydrophobicContact CD2-CG2 3.89Å; L630-F638 HydrophobicContact CB-CE2 4.43Å; L630-F638 HydrophobicContact CD2-CE2 3.97Å; L630-F638 HydrophobicContact CD2-CZ 3.98Å
631	L	96.9	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-81.7	-25.8	174.9	-75.6	171.4	0	0	0	114	F578 L581 M585 L598 I627 E628 Y629 V634	F578-L631 HydrophobicContact CD1-CD2 3.86Å; F578-L631 HydrophobicContact CD1-CG 4.13Å; F578-L631 HydrophobicContact CE1-CD2 4.38Å; F578-L631 HydrophobicContact CE1-CG 4.22Å; L581-L631 HydrophobicContact CB-CD2 3.4Å; L581-L631 VanDerWaalsContact CB-CD2 3.4Å; L581-L631 HydrophobicContact CD1-CD2 4.07Å; L581-L631 HydrophobicContact CG-CD2 4.41Å; M585-L631 WeakPolarHBondContact CE-O 3.45Å; L598-L631 HydrophobicContact CB-CD1 3.72Å; L598-L631 HydrophobicContact CD1-CD1 4.41Å; I627-L631 HydrophobicContact CG2-CD1 3.94Å; I627-L631 HydrophobicContact CG2-CG 4.38Å; I627-L631 VanDerWaalsContact O-CB 3.31Å; I627-L631 WeakPolarHBondContact O-CB 3.39Å; I627-L631 WeakPolarHBondContact O-CG 3.37Å; I627-L631 PolarHBondContact O-N 2.87Å; E628-L631 PolarHBondContact O-N 2.85Å; Y629-L631 VanDerWaalsContact C-N 3.26Å; Y629-L631 PolarHBondContact O-N 3.44Å; L631-V634 VanDerWaalsContact O-CG2 3.31Å; L631-V634 WeakPolarHBondContact O-CG2 3.17Å
632	T	96.2	Very high	92.9	Very high	75 Å²	75	34.8 Å²	34.8	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-81.1	-39.4	178.2	-54.5	0	0	0	0	110.7	E628 Y629	E628-T632 WeakPolarHBondContact O-CB 3.36Å; E628-T632 PolarHBondContact O-N 3.32Å; E628-T632 PolarHBondContact O-OG1 2.88Å; Y629-T632 PolarHBondContact O-N 2.95Å
633	H	96.2	Very high	91.3	Very high	39 Å²	39	39.7 Å²	39.7	18%	0.181	23%	0.228	C	C	.	.	S	Bend	trans	-104.1	33.8	-176.4	-61.9	-77	0	0	0	113.1	V556 Y629 E635 E636 I637	V556-H633 HydrophobicContact CG2-CB 4.38Å; V556-H633 WeakPolarHBondContact CG2-ND1 3.46Å; Y629-H633 AromaticContact CD2-CD2 3.68Å; Y629-H633 AromaticContact CD2-NE2 3.94Å; Y629-H633 AromaticContact CE1-CD2 3.95Å; Y629-H633 AromaticContact CE2-CD2 3.47Å; Y629-H633 VanDerWaalsContact CE2-CD2 3.47Å; Y629-H633 WeakPolarHBondContact CE2-CD2 3.27Å; Y629-H633 AromaticContact CE2-NE2 3.46Å; Y629-H633 WeakPolarHBondContact CE2-NE2 3.45Å; Y629-H633 AromaticContact CG-CD2 3.99Å; Y629-H633 AromaticContact CZ-CD2 3.62Å; Y629-H633 AromaticContact CZ-NE2 3.86Å; Y629-H633 PolarHBondContact O-CD2 3.02Å; Y629-H633 PolarHBondContact O-N 2.92Å; H633-E635 PolarHBondContact O-N 2.87Å; H633-E636 HydrophobicContact CB-CB 4.48Å; H633-E636 IonicContact CE1-OE2 3.82Å; H633-E636 IonicContact CG-OE2 3.52Å; H633-E636 IonicContact ND1-OE2 2.74Å; H633-E636 PolarHBondContact ND1-OE2 3.24Å; H633-E636 PolarHBondContact O-N 3.29Å; H633-I637 HydrophobicContact CB-CD1 3.7Å; H633-I637 HydrophobicContact CB-CG1 4.06Å; H633-I637 WeakPolarHBondContact O-CB 3.44Å; H633-I637 WeakPolarHBondContact O-CG1 3.29Å; H633-I637 PolarHBondContact O-N 2.87Å
634	V	96.3	Very high	89.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-52	-171.3	171.2	0	0	0	0	113.1	Y582 L630 L631 E636 I637 F638 V641	Y582-V634 HydrophobicContact CD2-CB 3.78Å; Y582-V634 HydrophobicContact CD2-CG1 4.25Å; Y582-V634 HydrophobicContact CD2-CG2 3.79Å; Y582-V634 HydrophobicContact CE2-CB 4.29Å; Y582-V634 HydrophobicContact CG-CB 4.24Å; Y582-V634 HydrophobicContact CG-CG1 4.2Å; Y582-V634 HydrophobicContact CG-CG2 4.31Å; L630-V634 WeakPolarHBondContact O-CG2 3.22Å; L631-V634 VanDerWaalsContact O-CG2 3.31Å; L631-V634 WeakPolarHBondContact O-CG2 3.17Å; V634-E636 VanDerWaalsContact C-N 3.27Å; V634-E636 PolarHBondContact O-N 3.3Å; V634-I637 PolarHBondContact O-N 2.7Å; V634-F638 HydrophobicContact CG1-CD2 4.49Å; V634-F638 WeakPolarHBondContact O-CB 3.27Å; V634-F638 PolarHBondContact O-N 2.73Å; V634-V641 HydrophobicContact CG1-CG2 4.12Å
635	E	94.9	Very high	86.7	Confident	97 Å²	97	45.3 Å²	45.3	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-67	-32.9	-177.1	-71.7	179.7	-166.3	0	0	111.8	Y582 H633 G639 V641	Y582-E635 PolarHBondContact OH-OE1 2.73Å; H633-E635 PolarHBondContact O-N 2.87Å; E635-G639 CarbonylContact O-C 3.29Å; E635-G639 VanDerWaalsContact O-C 3.29Å; E635-G639 WeakPolarHBondContact O-CA 3.44Å; E635-G639 PolarHBondContact O-N 2.86Å; E635-G639 VanDerWaalsContact O-N 3.15Å; E635-V641 HydrophobicContact CG-CG2 3.86Å
636	E	95.1	Very high	83.7	Confident	89 Å²	89	49.6 Å²	49.6	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-74.2	-39.4	177.5	-66.1	151.2	-148.4	0	0	112.2	V556 R560 H633 V634	V556-E636 HydrophobicContact CG1-CB 3.67Å; V556-E636 HydrophobicContact CG1-CG 4.48Å; R560-E636 PolarHBondContact NE-O 3.47Å; R560-E636 PolarHBondContact NH2-O 3.46Å; H633-E636 HydrophobicContact CB-CB 4.48Å; H633-E636 IonicContact CE1-OE2 3.82Å; H633-E636 IonicContact CG-OE2 3.52Å; H633-E636 IonicContact ND1-OE2 2.74Å; H633-E636 PolarHBondContact ND1-OE2 3.24Å; H633-E636 PolarHBondContact O-N 3.29Å; V634-E636 VanDerWaalsContact C-N 3.27Å; V634-E636 PolarHBondContact O-N 3.3Å
637	I	96.5	Very high	80.7	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-86.8	-41.4	-175.3	-67.6	174.3	0	0	0	111.7	V556 M559 I563 Y629 L630 H633 V634	V556-I637 HydrophobicContact CG1-CG1 4.19Å; M559-I637 HydrophobicContact CB-CD1 3.93Å; M559-I637 HydrophobicContact CG-CD1 3.72Å; I563-I637 HydrophobicContact CB-CG2 4.35Å; I563-I637 HydrophobicContact CG1-CG2 4.03Å; I563-I637 HydrophobicContact CG2-CG2 4.46Å; Y629-I637 HydrophobicContact CD1-CD1 4.24Å; Y629-I637 HydrophobicContact CE1-CD1 4.2Å; L630-I637 HydrophobicContact CD2-CD1 3.89Å; L630-I637 HydrophobicContact CD2-CG2 3.89Å; H633-I637 HydrophobicContact CB-CD1 3.7Å; H633-I637 HydrophobicContact CB-CG1 4.06Å; H633-I637 WeakPolarHBondContact O-CB 3.44Å; H633-I637 WeakPolarHBondContact O-CG1 3.29Å; H633-I637 PolarHBondContact O-N 2.87Å; V634-I637 PolarHBondContact O-N 2.7Å
638	F	95.3	Very high	77.3	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.044	38%	0.382	C	S	.	.	H	α-helix	trans	-102.1	-9.4	-173.7	-64.9	-74	0	0	0	114.6	I563 R575 F578 L630 V634	I563-F638 HydrophobicContact CD1-CZ 4.47Å; I563-F638 HydrophobicContact CG2-CD1 4.26Å; I563-F638 HydrophobicContact CG2-CE1 3.63Å; I563-F638 HydrophobicContact CG2-CZ 4.3Å; R575-F638 HydrophobicContact CB-CB 4.39Å; R575-F638 HydrophobicContact CB-CD1 4.09Å; R575-F638 HydrophobicContact CG-CB 4.16Å; R575-F638 PolarHBondContact NE-O 3.42Å; F578-F638 HydrophobicContact CB-CD2 3.87Å; F578-F638 HydrophobicContact CB-CE2 3.61Å; F578-F638 HydrophobicContact CB-CZ 4.17Å; F578-F638 HydrophobicContact CD1-CE2 4.25Å; F578-F638 HydrophobicContact CD2-CE1 4.17Å; F578-F638 AromaticContact CD2-CE2 3.59Å; F578-F638 HydrophobicContact CD2-CE2 3.59Å; F578-F638 AromaticContact CD2-CZ 3.35Å; F578-F638 HydrophobicContact CD2-CZ 3.35Å; F578-F638 HydrophobicContact CE2-CE2 4.32Å; F578-F638 AromaticContact CE2-CZ 3.87Å; F578-F638 HydrophobicContact CE2-CZ 3.87Å; F578-F638 HydrophobicContact CG-CD2 4.32Å; F578-F638 AromaticContact CG-CE2 3.55Å; F578-F638 HydrophobicContact CG-CE2 3.55Å; F578-F638 AromaticContact CG-CZ 3.85Å; F578-F638 HydrophobicContact CG-CZ 3.85Å; L630-F638 HydrophobicContact CB-CE2 4.43Å; L630-F638 HydrophobicContact CD2-CE2 3.97Å; L630-F638 HydrophobicContact CD2-CZ 3.98Å; V634-F638 HydrophobicContact CG1-CD2 4.49Å; V634-F638 WeakPolarHBondContact O-CB 3.27Å; V634-F638 PolarHBondContact O-N 2.73Å
639	G	91.8	Very high	76.3	Confident	23 Å²	23	64.9 Å²	64.9	24%	0.237	39%	0.388	C	S	.	.			trans	89.1	172.3	-169.4	0	0	0	0	0	112.4	H579 E635 V641	H579-G639 PolarHBondContact NE2-O 2.86Å; E635-G639 CarbonylContact O-C 3.29Å; E635-G639 VanDerWaalsContact O-C 3.29Å; E635-G639 WeakPolarHBondContact O-CA 3.44Å; E635-G639 PolarHBondContact O-N 2.86Å; E635-G639 VanDerWaalsContact O-N 3.15Å; G639-V641 PolarHBondContact O-N 3.07Å
640	P	87.8	Confident	75.3	Confident	107 Å²	107	66.6 Å²	66.6	70%	0.695	40%	0.402	S	S	*	.	S	Bend	trans	-55.4	138	-174.3	23.8	-34.9	0	0	0	111.5	H579 T642	H579-P640 PolarHBondContact CE1-O 3.31Å; P640-T642 PolarHBondContact O-N 3.03Å
641	V	76.6	Confident	74	Confident	36 Å²	36	70.3 Å²	70.3	22%	0.218	42%	0.424	C	S	.	.			trans	-62.1	109.8	-178.6	174.8	0	0	0	0	109.4	H579 Y582 V634 E635 G639	H579-V641 HydrophobicContact CB-CG1 4.25Å; Y582-V641 HydrophobicContact CD1-CG2 3.68Å; Y582-V641 HydrophobicContact CE1-CG2 3.96Å; Y582-V641 HydrophobicContact CG-CG2 4.33Å; V634-V641 HydrophobicContact CG1-CG2 4.12Å; E635-V641 HydrophobicContact CG-CG2 3.86Å; G639-V641 PolarHBondContact O-N 3.07Å
642	T	64.5	Low	72.7	Confident	85 Å²	85	74.4 Å²	74.4	52%	0.521	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-69.7	128.1	176	47.9	0	0	0	0	108.6	R583 P640	R583-T642 PolarHBondContact NH1-O 2.78Å; P640-T642 PolarHBondContact O-N 3.03Å
643	P	57.6	Low	71.2	Confident	106 Å²	106	74.4 Å²	74.4	69%	0.688	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-61.1	145.2	171.2	26.6	-33.2	0	0	0	108.6
644	P	50.3	Low	69.5	Low	57 Å²	57	76.7 Å²	76.7	37%	0.37	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-57	136.4	176.5	24.7	-33.3	0	0	0	109.3	V646	P644-V646 PolarHBondContact O-N 3.28Å
645	P	42.5	Very low	67.6	Low	85 Å²	85	82.1 Å²	82.1	55%	0.552	50%	0.499	S	S	*	.			trans	-62.5	115.7	-176.9	24.5	-33.3	0	0	0	109.4	I647	P645-I647 PolarHBondContact O-N 3.14Å; P645-I647 VanDerWaalsContact O-N 3.17Å
646	V	34.1	Very low	65.5	Low	141 Å²	141	81 Å²	81	86%	0.855	50%	0.503	S	S	*	.			trans	-62.9	116	177.6	-178.2	0	0	0	0	108	P644	P644-V646 PolarHBondContact O-N 3.28Å
647	I	33.9	Very low	63.1	Low	132 Å²	132	80.3 Å²	80.3	68%	0.677	51%	0.51	S	S	*	.			trans	-87.6	114.2	170.9	-56.1	177.6	0	0	0	106.5	P645	P645-I647 PolarHBondContact O-N 3.14Å; P645-I647 VanDerWaalsContact O-N 3.17Å
648	S	25.9	Very low	60	Low	178 Å²	178	87.3 Å²	87.3	100%	1.245	56%	0.555	S	S	*	*			trans	-75.4	0	165.9	58.7	0	0	0	0	111.2

Retrieved 648 of 648 residues in 732.8 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).