A0A5K4EPG7_SCHMA Loading...

Broad substrate specificity ATP-binding cassette transporter ABCG2

AlphaFold DB , UniProt , Accession A0A5K4EPG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 758 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	32.8	Very low	243 Å²	243	151.5 Å²	151.5	100%	1.197	83%	0.833	S	S	*	*				0	123	0	-79.8	-178.2	163	0	0	107.5
2	P	45.3	Very low	33	Very low	105 Å²	105	148.1 Å²	148.1	68%	0.682	82%	0.823	S	S	*	*				-126.5	134.8	-80.7	38.8	-28.4	0	0	0	112
3	T	33.5	Very low	32.5	Very low	119 Å²	119	148.5 Å²	148.5	73%	0.73	82%	0.823	S	S	*	*				95.7	120.3	99.9	54.1	0	0	0	0	114
4	H	37.4	Very low	32.1	Very low	195 Å²	195	145.6 Å²	145.6	90%	0.903	82%	0.818	S	S	*	*				-153.2	122.6	128.2	-106.4	-68.1	0	0	0	110.2
5	S	28.5	Very low	31.8	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	82%	0.819	S	S	*	*			trans	-120.1	136.9	167.4	52.8	0	0	0	0	107.3
6	S	36.8	Very low	31.4	Very low	119 Å²	119	148.3 Å²	148.3	83%	0.832	82%	0.815	S	S	*	*			trans	-151.8	116.5	156.4	53.1	0	0	0	0	109.5
7	N	28.9	Very low	31.2	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	82%	0.819	S	S	*	*			trans	-67.9	145.7	167.5	-72.7	-28.2	0	0	0	110.8
8	I	34.5	Very low	30.9	Very low	176 Å²	176	152.3 Å²	152.3	90%	0.903	82%	0.817	S	S	*	*			trans	-136	128	143.1	-68.7	-176.4	0	0	0	107.3
9	S	27.6	Very low	30.8	Very low	88 Å²	88	151.4 Å²	151.4	62%	0.615	81%	0.812	S	S	*	*			trans	-95.9	166.9	175.3	48.4	0	0	0	0	111.5
10	D	31.5	Very low	30.5	Very low	140 Å²	140	152.2 Å²	152.2	75%	0.749	81%	0.809	S	S	*	*			trans	98	103	158.5	-55.2	-26	0	0	0	118.7
11	F	26.8	Very low	30.4	Very low	208 Å²	208	150.4 Å²	150.4	91%	0.912	80%	0.804	S	S	*	*			trans	-157.5	130.3	131.2	-102.7	-75.5	0	0	0	109.7
12	P	35.3	Very low	30.1	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	78%	0.778	S	S	*	*			trans	-102.5	146.2	175.2	35.9	-28.6	0	0	0	113.9
13	D	26.7	Very low	29.3	Very low	154 Å²	154	145.6 Å²	145.6	82%	0.824	78%	0.782	S	S	*	*			trans	34.6	117.7	153.9	-62.3	-25.3	0	0	0	121.9
14	S	27.2	Very low	29	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	78%	0.782	S	S	*	*				162.3	141.3	97.5	59.1	0	0	0	0	114.6
15	K	26.8	Very low	28.6	Very low	191 Å²	191	144.4 Å²	144.4	83%	0.83	78%	0.777	S	S	*	*			trans	78.1	133.2	150.8	-71.4	172.9	-178.4	179.2	0	121.2
16	L	25.8	Very low	28.5	Very low	144 Å²	144	146.1 Å²	146.1	75%	0.754	78%	0.778	S	S	*	*			trans	74.9	85.1	156.3	-78.4	141.5	0	0	0	117.6
17	F	28.6	Very low	28.1	Very low	201 Å²	201	147.7 Å²	147.7	88%	0.882	78%	0.776	S	S	*	*			trans	-144.9	111.9	137.2	-97.4	-78	0	0	0	110.2	N19	F17-N19 PolarHBondContact O-N 3.5Å
18	H	25.1	Very low	28	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	77%	0.767	S	S	*	*			trans	-59.8	115.4	160.1	-93.4	-81	0	0	0	108.4
19	N	28	Very low	27.7	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	76%	0.761	S	S	*	*			trans	-106.7	92.9	162.7	-92.7	-6.7	0	0	0	108.7	F17 T21	F17-N19 PolarHBondContact O-N 3.5Å; N19-T21 PolarHBondContact O-N 2.75Å
20	H	25.3	Very low	27.7	Very low	166 Å²	166	143.7 Å²	143.7	77%	0.769	76%	0.764	S	S	*	*			trans	-61	110.1	149.5	-96.3	-74.4	0	0	0	107.4
21	T	28.4	Very low	27.5	Very low	115 Å²	115	142.9 Å²	142.9	71%	0.706	76%	0.764	S	S	*	*			trans	-105.4	83.6	165.3	30.5	0	0	0	0	107.6	N19 D23	N19-T21 PolarHBondContact O-N 2.75Å; T21-D23 PolarHBondContact O-N 2.88Å
22	T	25	Very low	27.6	Very low	103 Å²	103	139.4 Å²	139.4	63%	0.632	76%	0.755	S	S	*	*			trans	-75.6	89	158.9	42.3	0	0	0	0	107.9	H24	T22-H24 PolarHBondContact O-N 3.35Å
23	D	28.3	Very low	27.2	Very low	144 Å²	144	138 Å²	138	77%	0.77	76%	0.761	S	S	*	*			trans	-91.4	84.8	167.2	-87	-14.2	0	0	0	109.1	T21 T25	T21-D23 PolarHBondContact O-N 2.88Å; D23-T25 PolarHBondContact O-N 2.76Å
24	H	27.1	Very low	27.3	Very low	158 Å²	158	134.7 Å²	134.7	73%	0.731	75%	0.75	S	S	*	*			trans	-60.9	115.4	155.1	-76.8	-82	0	0	0	108.2	T22	T22-H24 PolarHBondContact O-N 3.35Å
25	T	28.7	Very low	27.4	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	76%	0.755	S	S	*	*			trans	-98.6	84.2	163.2	35	0	0	0	0	107.8	D23 L27	D23-T25 PolarHBondContact O-N 2.76Å; T25-L27 PolarHBondContact O-N 3.04Å
26	D	26.6	Very low	27.4	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	76%	0.757	S	S	*	*			trans	-62	109.9	156	-75.8	-38.7	0	0	0	107.6
27	L	27.2	Very low	27.6	Very low	152 Å²	152	136.5 Å²	136.5	80%	0.796	76%	0.759	S	S	*	*			trans	-61.6	127.3	161.9	-83.9	147.8	0	0	0	107.3	T25 V29	T25-L27 PolarHBondContact O-N 3.04Å; L27-V29 PolarHBondContact O-N 3.16Å
28	P	27.8	Very low	27.6	Very low	106 Å²	106	136.9 Å²	136.9	69%	0.688	76%	0.761	S	S	*	*			trans	-65.2	115.2	170.8	26.3	-29.9	0	0	0	107.7	T30	P28-T30 PolarHBondContact O-N 3.38Å
29	V	27.7	Very low	27.8	Very low	128 Å²	128	138.4 Å²	138.4	78%	0.776	77%	0.765	S	S	*	*			trans	-60.7	94	154.6	176.2	0	0	0	0	105.3	L27 T31	L27-V29 PolarHBondContact O-N 3.16Å; V29-T31 VanDerWaalsContact C-N 3.29Å; V29-T31 PolarHBondContact O-N 3.02Å
30	T	27	Very low	27.9	Very low	110 Å²	110	139.2 Å²	139.2	68%	0.675	77%	0.768	S	S	*	*			trans	-64.3	99.8	161.8	46	0	0	0	0	106.3	P28 D32	P28-T30 PolarHBondContact O-N 3.38Å; T30-D32 VanDerWaalsContact C-N 3.3Å; T30-D32 PolarHBondContact O-N 3.43Å
31	T	28.3	Very low	28	Very low	124 Å²	124	139 Å²	139	76%	0.761	77%	0.771	S	S	*	*			trans	-60.7	96.7	157.9	37.8	0	0	0	0	107.3	V29 G33	V29-T31 VanDerWaalsContact C-N 3.29Å; V29-T31 PolarHBondContact O-N 3.02Å; T31-G33 PolarHBondContact O-N 3.22Å
32	D	29.1	Very low	28.1	Very low	134 Å²	134	141.1 Å²	141.1	72%	0.717	78%	0.779	S	S	*	*			trans	-67.1	83.6	162.3	-90.4	-17.8	0	0	0	107.8	T30 S34	T30-D32 VanDerWaalsContact C-N 3.3Å; T30-D32 PolarHBondContact O-N 3.43Å; D32-S34 PolarHBondContact O-N 3.16Å
33	G	27.4	Very low	28.2	Very low	81 Å²	81	144 Å²	144	84%	0.835	79%	0.79	S	S	*	*			trans	-68.4	68.6	161.4	0	0	0	0	0	109.6	T31	T31-G33 PolarHBondContact O-N 3.22Å
34	S	27.1	Very low	28.6	Very low	84 Å²	84	142.4 Å²	142.4	59%	0.587	79%	0.787	S	S	*	*			trans	-157.2	51.7	171.3	63.2	0	0	0	0	111	D32	D32-S34 PolarHBondContact O-N 3.16Å
35	F	29.3	Very low	28.7	Very low	196 Å²	196	142 Å²	142	86%	0.86	79%	0.79	S	S	*	*	S	Bend	trans	-143.3	16.4	168	-105	-80	0	0	0	114.2
36	E	28.6	Very low	28.9	Very low	188 Å²	188	143.6 Å²	143.6	88%	0.879	79%	0.794	S	S	*	*	S	Bend	trans	-96.8	5.6	176.7	-84.5	-121	135.3	0	0	114.7
37	A	28.4	Very low	29	Very low	96 Å²	96	143.3 Å²	143.3	79%	0.793	79%	0.792	S	S	*	*	S	Bend	trans	-98.4	5	-176.6	0	0	0	0	0	115.5
38	F	28.7	Very low	29.1	Very low	209 Å²	209	143 Å²	143	92%	0.917	79%	0.792	S	S	*	*	S	Bend	trans	-119.6	16.6	-176.1	-105.9	-82	0	0	0	115.3
39	K	30.1	Very low	29.2	Very low	200 Å²	200	149 Å²	149	87%	0.87	80%	0.802	S	S	*	*	S	Bend	trans	-112	10.6	-179.5	-135.4	177.1	-175.5	178.9	0	115.1
40	I	30.5	Very low	29.3	Very low	152 Å²	152	148.4 Å²	148.4	78%	0.779	80%	0.798	S	S	*	*	S	Bend	trans	-120.2	80.1	175.8	-52.7	174.8	0	0	0	107.7
41	L	26.9	Very low	29.5	Very low	161 Å²	161	149.3 Å²	149.3	84%	0.843	81%	0.806	S	S	*	*	S	Bend	trans	169.2	81.6	157.5	-94	152.3	0	0	0	107.8
42	N	31	Very low	29.8	Very low	161 Å²	161	150 Å²	150	86%	0.861	81%	0.81	S	S	*	*			trans	-179.1	85.6	147.4	-90.1	-20.3	0	0	0	109
43	N	27.7	Very low	29.7	Very low	164 Å²	164	152.6 Å²	152.6	88%	0.877	82%	0.818	S	S	*	*			trans	-115.4	130.5	150.4	-100.5	-18.6	0	0	0	105.5
44	P	36.1	Very low	29.7	Very low	109 Å²	109	155.9 Å²	155.9	71%	0.708	82%	0.817	S	S	*	*				-137.7	135.2	111.7	31.5	-16.3	0	0	0	113.4
45	L	29.6	Very low	29.8	Very low	149 Å²	149	160.8 Å²	160.8	78%	0.78	83%	0.83	S	S	*	*			trans	38.7	108.1	132.8	-64.7	155.6	0	0	0	117.3
46	D	32.3	Very low	29.7	Very low	166 Å²	166	162 Å²	162	89%	0.888	84%	0.835	S	S	*	*				-162.3	144.2	114.4	-101.8	-25.2	0	0	0	113.1
47	N	28.5	Very low	29.8	Very low	140 Å²	140	160.7 Å²	160.7	75%	0.749	83%	0.829	S	S	*	*			trans	-84.9	163.3	-173.8	-84.2	-40.5	0	0	0	113.1
48	N	28.5	Very low	29.8	Very low	146 Å²	146	167 Å²	167	78%	0.781	83%	0.834	S	S	*	*			trans	87.9	103.6	163	-59.1	-21.8	0	0	0	116.4
49	Y	29.8	Very low	29.7	Very low	232 Å²	232	169.1 Å²	169.1	91%	0.91	84%	0.836	S	S	*	*				-172.6	147	111.6	-109.5	-86	0	0	0	111.1
50	T	31.2	Very low	29.6	Very low	114 Å²	114	164.7 Å²	164.7	70%	0.699	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.6	149.5	-168.4	40.7	0	0	0	0	116.1
51	P	30.5	Very low	29.5	Very low	130 Å²	130	165.4 Å²	165.4	84%	0.844	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-86.6	126.7	178.4	33.4	-28.3	0	0	0	111.3
52	T	33.9	Very low	29.6	Very low	137 Å²	137	166.6 Å²	166.6	84%	0.84	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-100.7	132.1	163	34.1	0	0	0	0	109	D54	T52-D54 PolarHBondContact O-N 3.36Å
53	E	27.4	Very low	29.5	Very low	190 Å²	190	166.5 Å²	166.5	89%	0.888	84%	0.835	S	S	*	*	S	Bend	trans	-65.3	108.9	174.9	-67.2	-168.3	136.7	0	0	109.9
54	D	27.2	Very low	29.5	Very low	150 Å²	150	164.6 Å²	164.6	80%	0.802	83%	0.829	S	S	*	*			trans	-178.4	70	152.4	-97	-23.7	0	0	0	108.9	T52	T52-D54 PolarHBondContact O-N 3.36Å
55	H	29.9	Very low	29.1	Very low	187 Å²	187	167.6 Å²	167.6	87%	0.866	84%	0.838	S	S	*	*			trans	-169.6	71.5	160.2	-90.5	-50.3	0	0	0	110.1
56	K	27.8	Very low	29	Very low	220 Å²	220	169.1 Å²	169.1	96%	0.957	84%	0.841	S	S	*	*			trans	-121.8	12.9	166.5	-95.9	-173	-179.6	176.8	0	114.3
57	Q	29.1	Very low	28.9	Very low	161 Å²	161	169.1 Å²	169.1	75%	0.752	84%	0.841	S	S	*	*	S	Bend	trans	-111	139.3	161.1	-85.5	175.9	-20.3	0	0	107.7
58	Y	28.5	Very low	28.7	Very low	229 Å²	229	166 Å²	166	90%	0.898	84%	0.842	S	S	*	*	S	Bend	trans	85.9	51.1	-175	-56.9	-83.5	0	0	0	116.9
59	R	26.4	Very low	28.7	Very low	253 Å²	253	168.6 Å²	168.6	96%	0.955	85%	0.846	S	S	*	*			trans	-155.6	64.8	151.7	-110	-178.9	-170.9	178.6	3.1	110.3
60	S	28.5	Very low	28.6	Very low	108 Å²	108	167.2 Å²	167.2	76%	0.755	85%	0.845	S	S	*	*			trans	-160.2	61.9	163.7	72.5	0	0	0	0	110.2
61	L	29	Very low	28.7	Very low	166 Å²	166	167.1 Å²	167.1	87%	0.869	85%	0.847	S	S	*	*	S	Bend	trans	-135.1	25.8	170.2	-147.6	87.8	0	0	0	112.1
62	H	29.3	Very low	28.6	Very low	186 Å²	186	171.9 Å²	171.9	86%	0.861	85%	0.849	S	S	*	*	S	Bend	trans	-130.9	4.6	178.5	-109.5	-60.1	0	0	0	115.4
63	D	27.9	Very low	28.4	Very low	159 Å²	159	171.8 Å²	171.8	85%	0.85	85%	0.849	S	S	*	*	S	Bend	trans	-122.1	51.4	176.8	-70.7	-33.8	0	0	0	111.6
64	T	28.3	Very low	28.4	Very low	125 Å²	125	172.1 Å²	172.1	77%	0.767	85%	0.847	S	S	*	*			trans	-149.2	54.6	173.4	-31.5	0	0	0	0	111.8
65	I	28.6	Very low	28.3	Very low	172 Å²	172	174.2 Å²	174.2	88%	0.882	85%	0.854	S	S	*	*			trans	-140.1	66	158.6	-52.5	-179.4	0	0	0	107.6
66	Q	26.8	Very low	28.2	Very low	180 Å²	180	172.4 Å²	172.4	84%	0.841	85%	0.851	S	S	*	*	S	Bend	trans	-161.5	84.9	160.9	-107	-177.4	-1.8	0	0	105.4
67	D	29.1	Very low	28.1	Very low	166 Å²	166	166.8 Å²	166.8	89%	0.888	84%	0.84	S	S	*	*			trans	167.6	111.8	144.3	-86.8	-21.6	0	0	0	109.3	K69	D67-K69 PolarHBondContact O-N 3.28Å
68	G	25.3	Very low	28	Very low	75 Å²	75	167.7 Å²	167.7	77%	0.773	84%	0.844	S	S	*	*			trans	-69.3	119.2	168	0	0	0	0	0	109.8
69	K	27.8	Very low	28	Very low	200 Å²	200	162.6 Å²	162.6	87%	0.87	84%	0.837	S	S	*	*			trans	176.8	104.1	149.2	-99.3	162	-173.2	-178.3	0	109.1	D67	D67-K69 PolarHBondContact O-N 3.28Å
70	F	29.2	Very low	28.1	Very low	204 Å²	204	158.5 Å²	158.5	90%	0.895	83%	0.832	S	S	*	*			trans	-114.3	122.1	156.2	-89.2	-78.2	0	0	0	108.3
71	P	33	Very low	28.3	Very low	112 Å²	112	158.7 Å²	158.7	73%	0.727	83%	0.831	S	S	*	*			trans	-86.8	125.7	167.6	31.8	-26	0	0	0	109.6
72	Y	27.6	Very low	28.2	Very low	229 Å²	229	157.9 Å²	157.9	90%	0.898	83%	0.827	S	S	*	*			trans	-70.2	127.7	161.3	-77.6	-92.7	0	0	0	109.3
73	T	29.4	Very low	28.2	Very low	135 Å²	135	156.9 Å²	156.9	83%	0.828	83%	0.828	S	S	*	*			trans	-124.6	110.1	160.9	-6.8	0	0	0	0	110
74	K	27.5	Very low	28.3	Very low	197 Å²	197	153.1 Å²	153.1	86%	0.857	82%	0.82	S	S	*	*			trans	-55	131.2	163.7	-74.9	170.7	170.2	174	0	109.8
75	M	26.2	Very low	28.3	Very low	194 Å²	194	151.9 Å²	151.9	96%	0.956	82%	0.816	S	S	*	*			trans	-106.1	99.5	153.4	-90.7	-174.9	173.5	0	0	107.8
76	N	27.3	Very low	28.4	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	81%	0.811	S	S	*	*			trans	-116.4	123.7	156.9	-98.9	-3.4	0	0	0	108.2
77	S	24.8	Very low	28.6	Very low	102 Å²	102	149 Å²	149	71%	0.713	81%	0.808	S	S	*	*			trans	-8.9	131.1	148.6	54.6	0	0	0	0	118.2
78	Q	27.2	Very low	28.4	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	80%	0.801	S	S	*	*			trans	163.9	137.5	142.6	-90.7	177.8	0.1	0	0	105.3
79	T	28.9	Very low	28.6	Very low	122 Å²	122	151.1 Å²	151.1	75%	0.748	81%	0.808	S	S	*	*			cis	-175.6	139.1	14.2	16.1	0	0	0	0	106.1
80	I	29.3	Very low	28.6	Very low	166 Å²	166	150.5 Å²	150.5	85%	0.851	81%	0.808	S	S	*	*			trans	-105.4	129.5	159.8	-63.1	172.8	0	0	0	105.9
81	P	32.5	Very low	29	Very low	112 Å²	112	145.9 Å²	145.9	73%	0.727	80%	0.799	S	S	*	*			trans	-93.4	125.2	177.9	33.6	-28.1	0	0	0	112.8
82	D	26.3	Very low	28.9	Very low	149 Å²	149	146.9 Å²	146.9	80%	0.797	80%	0.803	S	S	*	*			trans	31.3	126.8	137.6	-59.4	-26.8	0	0	0	122.5
83	N	30.1	Very low	28.8	Very low	165 Å²	165	143.1 Å²	143.1	88%	0.882	80%	0.798	S	S	*	*				-149.6	105.5	126.3	-111	-14.4	0	0	0	112.3
84	A	30.4	Very low	28.8	Very low	81 Å²	81	143.1 Å²	143.1	67%	0.669	79%	0.792	S	S	*	*			trans	43.7	110	132.8	0	0	0	0	0	122.4
85	S	28.1	Very low	28.7	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	78%	0.783	S	S	*	*				52.9	118.3	121.2	69.6	0	0	0	0	121.2
86	N	30.2	Very low	28.6	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	77%	0.769	S	S	*	*				165.9	146.4	89.5	-102.1	-19.2	0	0	0	113.8
87	N	31.2	Very low	28.5	Very low	146 Å²	146	138 Å²	138	78%	0.781	77%	0.766	S	S	*	*			trans	92	98.1	154.4	-62.6	-8.5	0	0	0	120.7
88	S	23.7	Very low	28.5	Very low	107 Å²	107	144 Å²	144	75%	0.748	78%	0.775	S	S	*	*			trans	-47.4	147.9	146.9	48.4	0	0	0	0	115.9
89	I	30.1	Very low	28.3	Very low	180 Å²	180	142.8 Å²	142.8	92%	0.923	77%	0.774	S	S	*	*			trans	-155.5	149.8	133.2	-88.6	147.6	0	0	0	108.6
90	Q	27.5	Very low	28.2	Very low	186 Å²	186	145.4 Å²	145.4	87%	0.869	78%	0.778	S	S	*	*			trans	-86.1	-177.5	-159.1	-103.2	-164.5	-5.2	0	0	116.8
91	P	38.2	Very low	28.1	Very low	107 Å²	107	144.5 Å²	144.5	70%	0.695	78%	0.78	S	S	*	*			trans	-110	172.2	-147.3	43.1	-36.3	0	0	0	116.6
92	T	30.8	Very low	27.6	Very low	134 Å²	134	146.2 Å²	146.2	82%	0.822	78%	0.783	S	S	*	*			trans	-154.4	113.6	157.7	49.1	0	0	0	0	113.9
93	N	26.3	Very low	27.5	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	78%	0.782	S	S	*	*				45.2	132.4	121.8	-86.8	-3.7	0	0	0	125.2
94	I	28.4	Very low	27.5	Very low	135 Å²	135	142.4 Å²	142.4	69%	0.692	78%	0.776	S	S	*	*			trans	106	109.6	131.2	-69.9	163.6	0	0	0	120.3
95	E	24.7	Very low	27.4	Very low	141 Å²	141	147.4 Å²	147.4	66%	0.659	79%	0.788	S	S	*	*			trans	67.8	132.1	134.4	-75.3	-170.3	142.1	0	0	125.1
96	K	25.5	Very low	27.3	Very low	152 Å²	152	147.1 Å²	147.1	66%	0.661	79%	0.786	S	S	*	*				99.5	128	127.6	-86.3	165.3	-175.2	149.3	0	120.1
97	N	24.9	Very low	27	Very low	139 Å²	139	149.1 Å²	149.1	74%	0.743	79%	0.787	S	S	*	*			trans	75	110.7	151.8	-67.8	-16	0	0	0	118.1
98	Y	25.4	Very low	26.9	Very low	228 Å²	228	151.2 Å²	151.2	89%	0.894	79%	0.789	S	S	*	*				-153.7	101	115.3	-104.4	-78.3	0	0	0	109.9
99	N	22.5	Very low	27.1	Very low	156 Å²	156	154.4 Å²	154.4	83%	0.834	79%	0.793	S	S	*	*			trans	-124.7	144.9	156.3	-103.3	-18.1	0	0	0	106.8
100	Q	25.9	Very low	27	Very low	177 Å²	177	152 Å²	152	83%	0.827	79%	0.786	S	S	*	*			trans	83.8	102.6	176.7	-66.5	-178.4	-22.1	0	0	117.9
101	V	28	Very low	26.9	Very low	148 Å²	148	151.4 Å²	151.4	90%	0.897	79%	0.788	S	S	*	*				-144.8	126.9	108.2	177.9	0	0	0	0	108.4
102	N	22.3	Very low	26.3	Very low	147 Å²	147	151.3 Å²	151.3	79%	0.786	79%	0.786	S	S	*	*			trans	-92.1	161.6	176.4	-95.1	-24.1	0	0	0	111.9
103	S	24.2	Very low	26.1	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	78%	0.782	S	S	*	*			trans	74.8	131.6	163.5	70	0	0	0	0	116.1
104	T	28.6	Very low	26.1	Very low	124 Å²	124	154.6 Å²	154.6	76%	0.761	79%	0.789	S	S	*	*			cis	-168.9	151.9	42.9	-23.9	0	0	0	0	110.9
105	M	28.1	Very low	26	Very low	185 Å²	185	154.7 Å²	154.7	91%	0.911	79%	0.791	S	S	*	*			trans	68.9	133.6	163.2	-73.4	-169.9	163.3	0	0	117.9
106	S	26.4	Very low	26.1	Very low	92 Å²	92	156.8 Å²	156.8	64%	0.643	80%	0.801	S	S	*	*			cis	-169.2	142.4	11	-165.9	0	0	0	0	109.6
107	K	24.3	Very low	26.4	Very low	187 Å²	187	159.3 Å²	159.3	81%	0.813	81%	0.812	S	S	*	*			trans	49.7	111.2	150.2	-68.6	172.8	178.6	177.6	0	120.4
108	K	29.7	Very low	26.7	Very low	190 Å²	190	157.9 Å²	157.9	83%	0.826	81%	0.81	S	S	*	*				177.4	127.7	109.5	-100	174.4	179.4	179.3	0	113.9
109	Q	27.8	Very low	26.9	Very low	175 Å²	175	152.7 Å²	152.7	82%	0.818	80%	0.804	S	S	*	*			trans	65.6	85.8	144.2	-72.9	172.3	-31.9	0	0	119.7
110	T	27.8	Very low	27.4	Very low	128 Å²	128	151.8 Å²	151.8	79%	0.785	80%	0.804	S	S	*	*			trans	-71.6	125.7	146.6	-39.6	0	0	0	0	109.1	T112	T110-T112 PolarHBondContact O-N 3.31Å; T110-T112 VanDerWaalsContact O-N 3.16Å
111	L	26.2	Very low	27.4	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	80%	0.804	S	S	*	*			trans	-69.3	99	172.1	-90.3	139.3	0	0	0	109.8
112	T	25.6	Very low	27.3	Very low	106 Å²	106	146.5 Å²	146.5	65%	0.65	81%	0.805	S	S	*	*			trans	-108.7	139.2	167.8	46.8	0	0	0	0	110.5	T110	T110-T112 PolarHBondContact O-N 3.31Å; T110-T112 VanDerWaalsContact O-N 3.16Å
113	N	25.1	Very low	27.5	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	80%	0.797	S	S	*	*			trans	55.2	98.8	153.1	-60	-6.4	0	0	0	118.9
114	F	27.7	Very low	27.5	Very low	213 Å²	213	142.9 Å²	142.9	93%	0.934	80%	0.801	S	S	*	*			trans	-103	67.3	147	-91.9	-83.4	0	0	0	108.8
115	D	24.8	Very low	27.6	Very low	138 Å²	138	145 Å²	145	74%	0.738	80%	0.8	S	S	*	*			trans	-120.5	145.7	162.7	-86.6	-41.5	0	0	0	108.3
116	E	28.1	Very low	27.7	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	79%	0.786	S	S	*	*			trans	73.2	94.4	168.9	-67.8	179.5	142	0	0	118.7
117	F	31.4	Very low	28	Very low	205 Å²	205	145.6 Å²	145.6	90%	0.899	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.1	129.9	136.4	-85.7	-89.7	0	0	0	107.9
118	P	30.1	Very low	28.9	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.5	142.2	178.3	28.6	-32.2	0	0	0	109.8	T120	P118-T120 PolarHBondContact O-N 3.27Å
119	P	30.3	Very low	29.8	Very low	118 Å²	118	137.6 Å²	137.6	77%	0.766	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.2	133.7	168	29.6	-30.1	0	0	0	108.3
120	T	32.3	Very low	31	Very low	137 Å²	137	139.2 Å²	139.2	84%	0.84	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-50.7	128.1	169.4	7.3	0	0	0	0	109.9	P118	P118-T120 PolarHBondContact O-N 3.27Å
121	P	27.6	Very low	32.7	Very low	126 Å²	126	135 Å²	135	82%	0.818	76%	0.757	S	S	*	*	S	Bend	trans	-78.9	135.1	178.3	30.5	-30.1	0	0	0	109.9
122	G	25.8	Very low	34.9	Very low	88 Å²	88	131.6 Å²	131.6	91%	0.907	75%	0.747	S	S	*	*			trans	97.8	62.9	162.6	0	0	0	0	0	116.3
123	G	25.7	Very low	37.2	Very low	60 Å²	60	127 Å²	127	62%	0.619	72%	0.721	S	S	*	*			trans	-137.5	115.4	153.6	0	0	0	0	0	107.5	F125	G123-F125 VanDerWaalsContact C-N 3.28Å; G123-F125 PolarHBondContact O-N 2.68Å
124	S	24.6	Very low	40.2	Very low	123 Å²	123	120.5 Å²	120.5	86%	0.86	69%	0.687	S	S	*	*			trans	-60.3	87.6	179	51.7	0	0	0	0	110.4	S126	S124-S126 PolarHBondContact O-N 2.68Å
125	F	31.2	Very low	43.3	Very low	169 Å²	169	113.1 Å²	113.1	74%	0.741	65%	0.654	S	S	*	*			trans	-71.7	84.8	170.1	-116	-91.3	0	0	0	107.7	G123 Q127 R331	G123-F125 VanDerWaalsContact C-N 3.28Å; G123-F125 PolarHBondContact O-N 2.68Å; F125-Q127 PolarHBondContact O-N 2.73Å; F125-R331 VanDerWaalsContact CZ-NH2 3.29Å
126	S	30.3	Very low	46.7	Very low	88 Å²	88	106.5 Å²	106.5	62%	0.615	62%	0.619	S	S	*	*			trans	-48.4	132.1	168.1	178	0	0	0	0	109.1	S124 R128	S124-S126 PolarHBondContact O-N 2.68Å; S126-R128 VanDerWaalsContact C-N 3.29Å; S126-R128 PolarHBondContact O-N 3.11Å
127	Q	30.8	Very low	49.9	Very low	201 Å²	201	97.8 Å²	97.8	94%	0.939	58%	0.578	S	S	*	*			trans	-52.5	90.9	171.2	-74.1	178.5	-10.9	0	0	109.7	F125	F125-Q127 PolarHBondContact O-N 2.73Å
128	R	44.3	Very low	52.9	Low	140 Å²	140	88 Å²	88	53%	0.528	54%	0.535	S	S	.	.			trans	-85.3	136.6	172.8	-84.9	-174.6	169	142.8	9.4	109.1	S126 K130 D260	S126-R128 VanDerWaalsContact C-N 3.29Å; S126-R128 PolarHBondContact O-N 3.11Å; R128-K130 PolarHBondContact O-N 3.35Å; R128-D260 IonicContact CZ-OD1 2.77Å; R128-D260 VanDerWaalsContact CZ-OD1 3.29Å; R128-D260 IonicContact CZ-OD2 2.68Å; R128-D260 VanDerWaalsContact CZ-OD2 3.26Å; R128-D260 VanDerWaalsContact NH1-CB 3.3Å; R128-D260 IonicContact NH1-OD1 3.29Å; R128-D260 PolarHBondContact NH1-OD1 3.23Å; R128-D260 IonicContact NH1-OD2 3.26Å; R128-D260 PolarHBondContact NH1-OD2 3.26Å; R128-D260 IonicContact NH2-OD1 2.73Å; R128-D260 PolarHBondContact NH2-OD1 2.89Å; R128-D260 IonicContact NH2-OD2 3.76Å; R128-D260 PolarHBondContact NH2-OD2 2.9Å
129	G	48.6	Very low	56	Low	68 Å²	68	83.4 Å²	83.4	70%	0.701	50%	0.504	S	S	*	.			trans	-49.7	137.4	180	0	0	0	0	0	112	I131	G129-I131 PolarHBondContact O-N 3.13Å; G129-I131 VanDerWaalsContact O-N 3.11Å
130	K	53.7	Low	59.1	Low	209 Å²	209	82.1 Å²	82.1	91%	0.909	49%	0.488	S	S	*	.			trans	-59.5	113.3	178.5	-146.4	176.3	-173.2	-179.9	0	108.3	R128 S132	R128-K130 PolarHBondContact O-N 3.35Å; K130-S132 PolarHBondContact O-N 3.18Å
131	I	63	Low	62.1	Low	39 Å²	39	75.6 Å²	75.6	20%	0.2	45%	0.448	C	S	.	.			trans	-68	118.8	176.5	-59.3	172.8	0	0	0	107	G129 G133 R333	G129-I131 PolarHBondContact O-N 3.13Å; G129-I131 VanDerWaalsContact O-N 3.11Å; I131-G133 PolarHBondContact O-N 2.68Å; I131-R333 HydrophobicContact CG2-CG 4.13Å
132	S	71.3	Confident	65.4	Low	103 Å²	103	70.5 Å²	70.5	72%	0.72	42%	0.415	S	S	*	.			trans	-81.4	100.6	175.8	-169.6	0	0	0	0	108.9	K130	K130-S132 PolarHBondContact O-N 3.18Å
133	G	75.4	Confident	68.7	Low	9 Å²	9	67.2 Å²	67.2	9%	0.093	38%	0.376	C	S	.	.			trans	-65.7	159.6	169	0	0	0	0	0	111.5	I131 G332	I131-G133 PolarHBondContact O-N 2.68Å; G133-G332 WeakPolarHBondContact CA-O 3.47Å; G133-G332 PolarHBondContact N-O 2.77Å
134	A	87.9	Confident	71.9	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.017	36%	0.364	C	S	.	.			trans	-104	139.6	-177.1	0	0	0	0	0	111.6	L136 I205 D206 P302 V303 T334	A134-L136 PolarHBondContact O-N 3.16Å; A134-I205 HydrophobicContact CB-CG2 3.55Å; A134-D206 WeakPolarHBondContact CA-OD1 3.38Å; A134-D206 WeakPolarHBondContact CA-OD2 3.41Å; A134-D206 VanDerWaalsContact CB-OD2 3.24Å; A134-D206 WeakPolarHBondContact CB-OD2 3.48Å; A134-P302 HydrophobicContact CB-CB 4.21Å; A134-V303 HydrophobicContact CB-CG2 3.94Å; A134-T334 PolarHBondContact N-OG1 3.35Å; A134-T334 WeakPolarHBondContact O-CB 3.39Å; A134-T334 PolarHBondContact O-OG1 2.94Å
135	K	92.9	Very high	75	Confident	58 Å²	58	64.5 Å²	64.5	25%	0.252	34%	0.336	S	S	.	.			trans	-77.3	114.6	168.3	-175.3	-178.4	-176	-178.5	0	108.4	I167 D206 E445	K135-I167 HydrophobicContact CD-CG2 4.29Å; K135-I167 HydrophobicContact CG-CG2 4.04Å; K135-D206 PolarHBondContact N-OD1 2.68Å; K135-D206 PolarHBondContact O-N 3.27Å; K135-E445 IonicContact NZ-OE1 2.68Å; K135-E445 PolarHBondContact NZ-OE1 3.47Å
136	L	94.6	Very high	77.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.2	175.1	-167	151.8	0	0	0	109	A134 F138 I167 L168 L190 V203 L204 V303 F305 I336	A134-L136 PolarHBondContact O-N 3.16Å; L136-F138 HydrophobicContact CD2-CD1 4.08Å; L136-I167 CarbonylContact O-C 3.6Å; L136-I167 WeakPolarHBondContact O-CA 3.48Å; L136-L168 HydrophobicContact CB-CB 4.39Å; L136-L168 HydrophobicContact CD2-CD1 4.3Å; L136-L168 PolarHBondContact N-O 2.98Å; L136-L168 PolarHBondContact O-N 2.66Å; L136-L190 HydrophobicContact CD2-CD1 4.28Å; L136-L190 HydrophobicContact CD2-CD2 3.98Å; L136-L190 HydrophobicContact CD2-CG 4.48Å; L136-V203 HydrophobicContact CD2-CG1 3.93Å; L136-V203 HydrophobicContact CG-CG1 4.21Å; L136-L204 WeakPolarHBondContact CA-O 3.1Å; L136-V303 HydrophobicContact CD1-CG1 4.32Å; L136-F305 HydrophobicContact CD1-CE1 4.19Å; L136-F305 HydrophobicContact CD1-CZ 3.75Å; L136-I336 HydrophobicContact CD1-CD1 4.06Å
137	S	95.4	Very high	80.1	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140	173.6	57.3	0	0	0	0	109.8	H139 G166 V203 L204	S137-H139 WeakPolarHBondContact CB-NE2 3.33Å; S137-H139 PolarHBondContact OG-NE2 2.73Å; S137-G166 WeakPolarHBondContact CA-O 3.4Å; S137-V203 WeakPolarHBondContact O-CA 3.42Å; S137-L204 PolarHBondContact N-O 2.92Å; S137-L204 PolarHBondContact O-N 3.29Å
138	F	96.1	Very high	82.4	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.2	178.7	54.5	-88.3	0	0	0	109	L136 I141 V164 S165 G166 L168 L190 K202 V203 I361	L136-F138 HydrophobicContact CD2-CD1 4.08Å; F138-I141 HydrophobicContact CB-CG1 3.89Å; F138-V164 HydrophobicContact CD2-CG2 4.38Å; F138-V164 HydrophobicContact CE2-CB 4.42Å; F138-V164 HydrophobicContact CE2-CG2 4.4Å; F138-S165 CarbonylContact O-C 3.6Å; F138-S165 VanDerWaalsContact O-CA 3.27Å; F138-S165 WeakPolarHBondContact O-CA 3.28Å; F138-G166 WeakPolarHBondContact CD1-O 3.49Å; F138-G166 VanDerWaalsContact CE1-C 3.49Å; F138-G166 PolarHBondContact N-O 2.95Å; F138-G166 PolarHBondContact O-N 3.02Å; F138-L168 HydrophobicContact CE1-CD1 4.08Å; F138-L168 HydrophobicContact CE1-CD2 4.49Å; F138-L168 HydrophobicContact CE1-CG 4.03Å; F138-L190 HydrophobicContact CB-CD2 3.57Å; F138-L190 HydrophobicContact CD1-CD1 4.21Å; F138-L190 HydrophobicContact CD1-CD2 3.79Å; F138-L190 HydrophobicContact CE1-CD1 4.39Å; F138-L190 HydrophobicContact CG-CD2 3.77Å; F138-K202 WeakPolarHBondContact CA-O 3.44Å; F138-V203 HydrophobicContact CB-CG2 4.35Å; F138-I361 HydrophobicContact CE2-CD1 4.08Å; F138-I361 HydrophobicContact CZ-CD1 4.44Å
139	H	94.9	Very high	83.6	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	114.3	-162.6	-56.3	-124	0	0	0	108.4	S137 I141 G201 K202 V446	S137-H139 WeakPolarHBondContact CB-NE2 3.33Å; S137-H139 PolarHBondContact OG-NE2 2.73Å; H139-I141 VanDerWaalsContact C-N 3.28Å; H139-I141 PolarHBondContact O-N 2.92Å; H139-G201 CarbonylContact O-C 3.59Å; H139-G201 VanDerWaalsContact O-CA 3.25Å; H139-G201 WeakPolarHBondContact O-CA 3.44Å; H139-K202 HydrophobicContact CB-CB 4.37Å; H139-K202 PolarHBondContact CD2-O 3.35Å; H139-K202 PolarHBondContact N-O 3.1Å; H139-K202 PolarHBondContact O-N 3.4Å; H139-V446 HydrophobicContact CB-CG1 4.12Å; H139-V446 VanDerWaalsContact CE1-CG1 3.42Å; H139-V446 WeakPolarHBondContact CE1-CG1 3.45Å; H139-V446 PolarHBondContact CE1-O 3.04Å; H139-V446 VanDerWaalsContact CG-CG1 3.49Å; H139-V446 WeakPolarHBondContact ND1-CG1 3.35Å
140	H	94.7	Very high	84.8	Confident	91 Å²	91	59.9 Å²	59.9	42%	0.421	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.6	48	174.8	-59.1	-69.9	0	0	0	113.4	S142 D163 V164 S165 G201	H140-S142 PolarHBondContact O-N 3.23Å; H140-D163 WeakPolarHBondContact CA-OD1 3.4Å; H140-D163 WeakPolarHBondContact CB-OD1 3.39Å; H140-D163 IonicContact CE1-OD1 3.12Å; H140-D163 IonicContact CG-OD1 2.77Å; H140-D163 VanDerWaalsContact CG-OD1 3.29Å; H140-D163 IonicContact ND1-OD1 2.68Å; H140-D163 PolarHBondContact ND1-OD1 3.4Å; H140-D163 IonicContact ND1-OD2 3.27Å; H140-V164 PolarHBondContact N-O 2.89Å; H140-S165 PolarHBondContact N-OG 3.29Å; H140-G201 VanDerWaalsContact O-CA 3.23Å; H140-G201 WeakPolarHBondContact O-CA 3.21Å
141	I	95.6	Very high	85.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.3	-176.6	-64.6	-63.5	0	0	0	109.4	F138 H139 L161 D163 V164 V189 L199 S200 V203	F138-I141 HydrophobicContact CB-CG1 3.89Å; H139-I141 VanDerWaalsContact C-N 3.28Å; H139-I141 PolarHBondContact O-N 2.92Å; I141-L161 HydrophobicContact CG2-CD1 4.17Å; I141-D163 PolarHBondContact O-N 3.44Å; I141-V164 HydrophobicContact CB-CG2 3.74Å; I141-V164 HydrophobicContact CG2-CG2 4.06Å; I141-V164 PolarHBondContact N-O 3.03Å; I141-V164 PolarHBondContact O-N 3.05Å; I141-V189 HydrophobicContact CG2-CG1 3.82Å; I141-L199 HydrophobicContact CG2-CD1 3.99Å; I141-S200 WeakPolarHBondContact CA-O 3.42Å; I141-V203 HydrophobicContact CD1-CG2 3.71Å; I141-V203 HydrophobicContact CG1-CG2 4.41Å
142	S	96	Very high	86.3	Confident	19 Å²	19	62.3 Å²	62.3	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.7	163.2	-45	0	0	0	0	110.2	H140 L161 D163 S200	H140-S142 PolarHBondContact O-N 3.23Å; S142-L161 CarbonylContact C-O 3.6Å; S142-L161 WeakPolarHBondContact CA-O 3.37Å; S142-L161 WeakPolarHBondContact CB-O 3.24Å; S142-D163 PolarHBondContact OG-N 2.93Å; S142-S200 WeakPolarHBondContact CB-OG 3.43Å; S142-S200 PolarHBondContact N-O 3.45Å; S142-S200 PolarHBondContact N-OG 3.24Å; S142-S200 PolarHBondContact O-N 2.77Å; S142-S200 PolarHBondContact O-OG 2.88Å
143	Y	95.2	Very high	86.6	Confident	19 Å²	19	59.6 Å²	59.6	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126	-179.9	-178.3	-113.7	0	0	0	110.3	V145 I160 L161 V189 K194 F198 L199	Y143-V145 HydrophobicContact CD1-CG2 4.13Å; Y143-V145 HydrophobicContact CE1-CG2 3.42Å; Y143-V145 VanDerWaalsContact CE1-CG2 3.42Å; Y143-I160 HydrophobicContact CD1-CB 4.13Å; Y143-I160 HydrophobicContact CD1-CG1 4.47Å; Y143-I160 PolarHBondContact O-N 3.25Å; Y143-L161 PolarHBondContact N-O 2.88Å; Y143-L161 PolarHBondContact O-N 3.33Å; Y143-V189 HydrophobicContact CD2-CG2 4.47Å; Y143-V189 HydrophobicContact CG-CG2 4.31Å; Y143-K194 HydrophobicContact CD2-CB 4.47Å; Y143-K194 HydrophobicContact CE1-CD 4.16Å; Y143-K194 HydrophobicContact CE1-CG 4.26Å; Y143-K194 HydrophobicContact CE2-CB 3.86Å; Y143-K194 HydrophobicContact CE2-CG 4.2Å; Y143-F198 WeakPolarHBondContact CA-O 3.45Å; Y143-F198 HydrophobicContact CD2-CB 4.32Å; Y143-F198 WeakPolarHBondContact CD2-O 3.29Å; Y143-F198 HydrophobicContact CE2-CB 3.97Å; Y143-L199 HydrophobicContact CD2-CB 4.42Å; Y143-L199 HydrophobicContact CD2-CD1 4.43Å
144	E	93.1	Very high	86.7	Confident	80 Å²	80	68.1 Å²	68.1	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.3	-177.4	-67.9	-179.2	177.6	0	0	111.3	I157 K158 F198	E144-I157 HydrophobicContact CB-CG2 3.82Å; E144-I157 HydrophobicContact CG-CG2 4.03Å; E144-I157 VanDerWaalsContact OE2-CG2 3.3Å; E144-I157 WeakPolarHBondContact OE2-CG2 3.36Å; E144-K158 WeakPolarHBondContact CA-O 3.29Å; E144-F198 PolarHBondContact N-O 2.96Å; E144-F198 WeakPolarHBondContact O-CB 3.47Å
145	V	89.5	Confident	86.4	Confident	47 Å²	47	71.5 Å²	71.5	29%	0.285	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.1	175.1	-178.4	0	0	0	0	109.2	Y143 I147 K158 I160	Y143-V145 HydrophobicContact CD1-CG2 4.13Å; Y143-V145 HydrophobicContact CE1-CG2 3.42Å; Y143-V145 VanDerWaalsContact CE1-CG2 3.42Å; V145-I147 HydrophobicContact CG1-CG1 4.38Å; V145-I147 PolarHBondContact O-N 2.93Å; V145-K158 PolarHBondContact N-O 3.24Å; V145-K158 PolarHBondContact O-N 3.42Å; V145-I160 HydrophobicContact CB-CG1 4.25Å; V145-I160 HydrophobicContact CG2-CG1 3.69Å
146	K	86.4	Confident	86.2	Confident	124 Å²	124	73.5 Å²	73.5	54%	0.539	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.6	170.1	-72.5	-179.1	177.7	177.5	0	109.2	I157 F198	K146-I157 HydrophobicContact CG-CG1 4.18Å; K146-F198 HydrophobicContact CD-CE1 3.9Å; K146-F198 HydrophobicContact CD-CZ 4.37Å; K146-F198 HydrophobicContact CG-CE1 4.1Å
147	I	83.9	Confident	85.8	Confident	68 Å²	68	77.9 Å²	77.9	35%	0.349	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.3	175.7	-56.5	178.8	0	0	0	107.9	V145 V156 K158	V145-I147 HydrophobicContact CG1-CG1 4.38Å; V145-I147 PolarHBondContact O-N 2.93Å; I147-V156 PolarHBondContact N-O 3.06Å; I147-V156 PolarHBondContact O-N 2.83Å; I147-K158 HydrophobicContact CD1-CB 3.62Å; I147-K158 HydrophobicContact CD1-CD 3.52Å; I147-K158 HydrophobicContact CD1-CG 4.19Å; I147-K158 HydrophobicContact CG1-CB 4.26Å
148	Q	77.7	Confident	85.6	Confident	109 Å²	109	83.5 Å²	83.5	51%	0.509	43%	0.429	S	S	.	.			trans	-119.4	106.9	173.8	-169.4	169.9	24.5	0	0	108.2	T150 L151 S153	Q148-T150 VanDerWaalsContact CG-O 3.22Å; Q148-T150 WeakPolarHBondContact CG-O 3.42Å; Q148-L151 PolarHBondContact NE2-O 3.26Å; Q148-S153 WeakPolarHBondContact CG-O 3.39Å; Q148-S153 PolarHBondContact NE2-O 3.14Å
149	K	69.7	Low	85.4	Confident	188 Å²	188	86.7 Å²	86.7	82%	0.817	45%	0.449	S	S	*	.	S	Bend	trans	-68.7	-35.6	-175.5	-76	-173.3	176.2	-176	0	112.9
150	T	74	Confident	85.4	Confident	79 Å²	79	88 Å²	88	49%	0.485	46%	0.456	S	S	.	.	S	Bend	trans	-140.9	158.6	176.5	73.1	0	0	0	0	110	Q148 C152 S153	Q148-T150 VanDerWaalsContact CG-O 3.22Å; Q148-T150 WeakPolarHBondContact CG-O 3.42Å; T150-C152 PolarHBondContact O-N 3.1Å; T150-S153 PolarHBondContact O-N 3.04Å; T150-S153 PolarHBondContact OG1-N 3.32Å; T150-S153 PolarHBondContact OG1-OG 3.39Å
151	L	72.5	Confident	85.4	Confident	172 Å²	172	83.7 Å²	83.7	90%	0.901	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.6	-179.7	-128.9	94.3	0	0	0	113.1	Q148	Q148-L151 PolarHBondContact NE2-O 3.26Å
152	C	75.3	Confident	85.4	Confident	127 Å²	127	86.9 Å²	86.9	86%	0.858	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-10	-178	-63.4	0	0	0	0	114.2	T150	T150-C152 PolarHBondContact O-N 3.1Å
153	S	77.1	Confident	85.3	Confident	47 Å²	47	90 Å²	90	33%	0.329	47%	0.468	S	S	.	.	S	Bend	trans	-77.2	143.2	178.4	-61.9	0	0	0	0	111	Q148 T150	Q148-S153 WeakPolarHBondContact CG-O 3.39Å; Q148-S153 PolarHBondContact NE2-O 3.14Å; T150-S153 PolarHBondContact O-N 3.04Å; T150-S153 PolarHBondContact OG1-N 3.32Å; T150-S153 PolarHBondContact OG1-OG 3.39Å
154	K	79.2	Confident	85.3	Confident	188 Å²	188	89.2 Å²	89.2	82%	0.817	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-60.8	137.2	169.7	-70.9	-176.8	-179.8	177.6	0	109.5	V156	K154-V156 PolarHBondContact O-N 2.91Å
155	P	81.7	Confident	85.5	Confident	72 Å²	72	86.2 Å²	86.2	47%	0.468	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-65.5	126.3	177	26.2	-32.5	0	0	0	109.7
156	V	87.1	Confident	85.8	Confident	101 Å²	101	84 Å²	84	61%	0.612	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.7	173.9	179.7	0	0	0	0	108	I147 K154	I147-V156 PolarHBondContact N-O 3.06Å; I147-V156 PolarHBondContact O-N 2.83Å; K154-V156 PolarHBondContact O-N 2.91Å
157	I	87.5	Confident	86.3	Confident	92 Å²	92	78.2 Å²	78.2	47%	0.472	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.3	174.8	-60.6	175.5	0	0	0	107.8	E144 K146	E144-I157 HydrophobicContact CB-CG2 3.82Å; E144-I157 HydrophobicContact CG-CG2 4.03Å; E144-I157 VanDerWaalsContact OE2-CG2 3.3Å; E144-I157 WeakPolarHBondContact OE2-CG2 3.36Å; K146-I157 HydrophobicContact CG-CG1 4.18Å
158	K	90.1	Very high	86.9	Confident	118 Å²	118	75 Å²	75	51%	0.513	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122	174.1	-175.1	179.5	-179.3	178.4	0	109.3	E144 V145 I147 I160	E144-K158 WeakPolarHBondContact CA-O 3.29Å; V145-K158 PolarHBondContact N-O 3.24Å; V145-K158 PolarHBondContact O-N 3.42Å; I147-K158 HydrophobicContact CD1-CB 3.62Å; I147-K158 HydrophobicContact CD1-CD 3.52Å; I147-K158 HydrophobicContact CD1-CG 4.19Å; I147-K158 HydrophobicContact CG1-CB 4.26Å; K158-I160 HydrophobicContact CD-CD1 3.93Å; K158-I160 HydrophobicContact CG-CD1 4Å
159	T	93	Very high	87.7	Confident	68 Å²	68	74.6 Å²	74.6	42%	0.417	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.5	170.7	-48.3	0	0	0	0	109.3	L161 D162	T159-L161 WeakPolarHBondContact CG2-O 3.46Å; T159-D162 HydrophobicContact CG2-CB 3.97Å
160	I	93.8	Very high	88.9	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.205	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-36.4	-178.6	-57.5	-60.4	0	0	0	111.1	Y143 V145 K158 S185 G359	Y143-I160 HydrophobicContact CD1-CB 4.13Å; Y143-I160 HydrophobicContact CD1-CG1 4.47Å; Y143-I160 PolarHBondContact O-N 3.25Å; V145-I160 HydrophobicContact CB-CG1 4.25Å; V145-I160 HydrophobicContact CG2-CG1 3.69Å; K158-I160 HydrophobicContact CD-CD1 3.93Å; K158-I160 HydrophobicContact CG-CD1 4Å; I160-S185 WeakPolarHBondContact CG2-OG 3.4Å; I160-G359 WeakPolarHBondContact O-CA 3.49Å
161	L	95.7	Very high	89.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.5	170.4	-60.2	173.5	0	0	0	107.6	I141 S142 Y143 T159 L186 V189 G359	I141-L161 HydrophobicContact CG2-CD1 4.17Å; S142-L161 CarbonylContact C-O 3.6Å; S142-L161 WeakPolarHBondContact CA-O 3.37Å; S142-L161 WeakPolarHBondContact CB-O 3.24Å; Y143-L161 PolarHBondContact N-O 2.88Å; Y143-L161 PolarHBondContact O-N 3.33Å; T159-L161 WeakPolarHBondContact CG2-O 3.46Å; L161-L186 HydrophobicContact CD1-CB 4.13Å; L161-L186 HydrophobicContact CD1-CD1 4.14Å; L161-L186 HydrophobicContact CD2-CB 4.04Å; L161-V189 HydrophobicContact CD1-CB 4.48Å; L161-V189 HydrophobicContact CD1-CG2 4.01Å; L161-G359 WeakPolarHBondContact CA-O 3.47Å
162	D	95	Very high	91.1	Very high	67 Å²	67	57 Å²	57	36%	0.358	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	108.5	-175.5	-171.6	26.2	0	0	0	110.5	T159 V164 G359 Q360	T159-D162 HydrophobicContact CG2-CB 3.97Å; D162-V164 PolarHBondContact O-N 2.88Å; D162-G359 PolarHBondContact N-O 2.94Å; D162-Q360 HydrophobicContact CB-CG 3.85Å; D162-Q360 PolarHBondContact OD2-NE2 2.88Å
163	D	93.9	Very high	92.1	Very high	84 Å²	84	51 Å²	51	45%	0.449	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.6	48.8	175	-162.6	31.6	0	0	0	115.4	H140 I141 S142	H140-D163 WeakPolarHBondContact CA-OD1 3.4Å; H140-D163 WeakPolarHBondContact CB-OD1 3.39Å; H140-D163 IonicContact CE1-OD1 3.12Å; H140-D163 IonicContact CG-OD1 2.77Å; H140-D163 VanDerWaalsContact CG-OD1 3.29Å; H140-D163 IonicContact ND1-OD1 2.68Å; H140-D163 PolarHBondContact ND1-OD1 3.4Å; H140-D163 IonicContact ND1-OD2 3.27Å; I141-D163 PolarHBondContact O-N 3.44Å; S142-D163 PolarHBondContact OG-N 2.93Å
164	V	95.5	Very high	93.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.7	-179.4	-59.6	0	0	0	0	112.1	F138 H140 I141 D162 L186 G359 I361	F138-V164 HydrophobicContact CD2-CG2 4.38Å; F138-V164 HydrophobicContact CE2-CB 4.42Å; F138-V164 HydrophobicContact CE2-CG2 4.4Å; H140-V164 PolarHBondContact N-O 2.89Å; I141-V164 HydrophobicContact CB-CG2 3.74Å; I141-V164 HydrophobicContact CG2-CG2 4.06Å; I141-V164 PolarHBondContact N-O 3.03Å; I141-V164 PolarHBondContact O-N 3.05Å; D162-V164 PolarHBondContact O-N 2.88Å; V164-L186 HydrophobicContact CG2-CD1 3.83Å; V164-G359 WeakPolarHBondContact CG1-O 3.48Å; V164-I361 HydrophobicContact CB-CD1 3.98Å; V164-I361 HydrophobicContact CB-CG1 4.16Å; V164-I361 HydrophobicContact CG1-CD1 4.4Å; V164-I361 HydrophobicContact CG1-CG1 4.02Å
165	S	96.1	Very high	94	Very high	18 Å²	18	39.8 Å²	39.8	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.3	178.3	-64.8	0	0	0	0	111.8	F138 H140 I361	F138-S165 CarbonylContact O-C 3.6Å; F138-S165 VanDerWaalsContact O-CA 3.27Å; F138-S165 WeakPolarHBondContact O-CA 3.28Å; H140-S165 PolarHBondContact N-OG 3.29Å; S165-I361 VanDerWaalsContact O-CD1 3.24Å; S165-I361 WeakPolarHBondContact O-CD1 3.19Å
166	G	96.3	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	175.6	-179.1	0	0	0	0	0	115.1	S137 F138	S137-G166 WeakPolarHBondContact CA-O 3.4Å; F138-G166 WeakPolarHBondContact CD1-O 3.49Å; F138-G166 VanDerWaalsContact CE1-C 3.49Å; F138-G166 PolarHBondContact N-O 2.95Å; F138-G166 PolarHBondContact O-N 3.02Å
167	I	96.3	Very high	95	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.4	-173.3	-61.6	177.1	0	0	0	110.4	K135 L136 R169 H364 E445 V446 I449	K135-I167 HydrophobicContact CD-CG2 4.29Å; K135-I167 HydrophobicContact CG-CG2 4.04Å; L136-I167 CarbonylContact O-C 3.6Å; L136-I167 WeakPolarHBondContact O-CA 3.48Å; I167-R169 HydrophobicContact CG2-CG 4.14Å; I167-H364 PolarHBondContact N-NE2 3.33Å; I167-H364 PolarHBondContact O-CE1 2.97Å; I167-H364 PolarHBondContact O-NE2 3.31Å; I167-H364 VanDerWaalsContact O-NE2 3.12Å; I167-E445 HydrophobicContact CD1-CB 3.67Å; I167-E445 HydrophobicContact CD1-CG 3.46Å; I167-E445 VanDerWaalsContact CD1-CG 3.46Å; I167-V446 HydrophobicContact CD1-CG2 3.8Å; I167-V446 HydrophobicContact CG1-CG2 3.54Å; I167-I449 HydrophobicContact CD1-CD1 3.97Å
168	L	96.5	Very high	95.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.7	177.8	-52.7	172	0	0	0	108.6	L136 F138 N173 L190 I336	L136-L168 HydrophobicContact CB-CB 4.39Å; L136-L168 HydrophobicContact CD2-CD1 4.3Å; L136-L168 PolarHBondContact N-O 2.98Å; L136-L168 PolarHBondContact O-N 2.66Å; F138-L168 HydrophobicContact CE1-CD1 4.08Å; F138-L168 HydrophobicContact CE1-CD2 4.49Å; F138-L168 HydrophobicContact CE1-CG 4.03Å; L168-N173 HydrophobicContact CB-CB 4.46Å; L168-N173 HydrophobicContact CD2-CB 3.87Å; L168-L190 HydrophobicContact CD1-CD1 3.77Å; L168-I336 HydrophobicContact CB-CD1 4.21Å; L168-I336 HydrophobicContact CB-CG1 4.37Å; L168-I336 HydrophobicContact CD1-CB 4.49Å; L168-I336 HydrophobicContact CD1-CD1 3.48Å; L168-I336 VanDerWaalsContact CD1-CD1 3.48Å; L168-I336 HydrophobicContact CD1-CG1 3.81Å; L168-I336 HydrophobicContact CD1-CG2 3.85Å; L168-I336 HydrophobicContact CG-CD1 4.48Å
169	R	94.7	Very high	95.3	Very high	102 Å²	102	27.7 Å²	27.7	39%	0.385	15%	0.154	S	C	.	.			trans	-100.4	163.2	-175.4	-65.7	-180	-178.6	82.7	-3.6	110.7	I167 G171 N173 E445	I167-R169 HydrophobicContact CG2-CG 4.14Å; R169-G171 PolarHBondContact O-N 2.76Å; R169-N173 PolarHBondContact O-ND2 2.84Å; R169-E445 IonicContact CZ-OE1 3.53Å; R169-E445 IonicContact CZ-OE2 3.45Å; R169-E445 IonicContact NH2-OE1 2.65Å; R169-E445 PolarHBondContact NH2-OE1 3.43Å; R169-E445 IonicContact NH2-OE2 2.69Å; R169-E445 PolarHBondContact NH2-OE2 3.33Å
170	P	95.3	Very high	95.1	Very high	64 Å²	64	28.1 Å²	28.1	42%	0.416	17%	0.171	S	C	.	.	S	Bend	trans	-47.9	125.5	167.8	-29.9	37.4	0	0	0	111.5	T334	P170-T334 VanDerWaalsContact CA-OG1 3.32Å; P170-T334 WeakPolarHBondContact CA-OG1 3.22Å
171	G	95.4	Very high	95	Very high	5 Å²	5	26.4 Å²	26.4	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.8	-170.9	-166.5	0	0	0	0	0	113.5	R169 N173 R333 I335	R169-G171 PolarHBondContact O-N 2.76Å; G171-N173 PolarHBondContact O-ND2 2.81Å; G171-R333 PolarHBondContact N-O 3.18Å; G171-I335 PolarHBondContact O-N 3.42Å
172	M	96.9	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.7	176.9	-74.5	-70	-72.7	0	0	110.9	V322 L325 K326 A329 I335 F337 D351 T352	M172-V322 HydrophobicContact CE-CG1 3.81Å; M172-L325 HydrophobicContact CE-CB 3.84Å; M172-L325 HydrophobicContact SD-CB 3.75Å; M172-K326 HydrophobicContact CG-CB 4.48Å; M172-K326 HydrophobicContact CG-CD 3.61Å; M172-A329 HydrophobicContact CG-CB 3.79Å; M172-A329 HydrophobicContact SD-CB 4.12Å; M172-I335 HydrophobicContact SD-CB 4.17Å; M172-I335 HydrophobicContact SD-CD1 4.31Å; M172-I335 HydrophobicContact SD-CG2 4.1Å; M172-F337 HydrophobicContact CB-CE1 4.33Å; M172-F337 HydrophobicContact CE-CD1 4.14Å; M172-F337 HydrophobicContact CE-CE1 3.23Å; M172-F337 HydrophobicContact CE-CE2 4.48Å; M172-F337 HydrophobicContact CE-CZ 3.44Å; M172-F337 VanDerWaalsContact CE-CZ 3.44Å; M172-F337 HydrophobicContact SD-CE1 3.94Å; M172-D351 PolarHBondContact N-OD2 2.91Å; M172-D351 WeakPolarHBondContact O-CB 3.38Å; M172-D351 PolarHBondContact O-N 2.89Å; M172-T352 PolarHBondContact O-N 2.66Å
173	N	97.9	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115	179.1	-50	-87.9	0	0	0	110.5	L168 R169 G171 I335 I336 F337 T352	L168-N173 HydrophobicContact CB-CB 4.46Å; L168-N173 HydrophobicContact CD2-CB 3.87Å; R169-N173 PolarHBondContact O-ND2 2.84Å; G171-N173 PolarHBondContact O-ND2 2.81Å; N173-I335 WeakPolarHBondContact CB-O 3.32Å; N173-I335 PolarHBondContact N-O 2.95Å; N173-I335 PolarHBondContact ND2-O 2.96Å; N173-I336 HydrophobicContact CB-CG1 4.34Å; N173-I336 WeakPolarHBondContact O-CA 3.43Å; N173-F337 WeakPolarHBondContact O-CD1 3.39Å; N173-F337 WeakPolarHBondContact O-CE1 3.35Å; N173-F337 PolarHBondContact O-N 3.39Å; N173-T352 VanDerWaalsContact OD1-CB 3.24Å; N173-T352 WeakPolarHBondContact OD1-CB 3.44Å; N173-T352 PolarHBondContact OD1-OG1 3.27Å
174	A	97.9	Very high	94.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134	-178.7	0	0	0	0	0	111.5	F337 I339 F350 T352 L353 T354	A174-F337 CarbonylContact C-O 3.45Å; A174-F337 WeakPolarHBondContact CA-O 3.31Å; A174-F337 HydrophobicContact CB-CE1 4.42Å; A174-F337 HydrophobicContact CB-CE2 3.91Å; A174-F337 HydrophobicContact CB-CZ 3.77Å; A174-I339 HydrophobicContact CB-CG2 4.48Å; A174-F350 HydrophobicContact CB-CD1 4.31Å; A174-F350 HydrophobicContact CB-CD2 3.53Å; A174-F350 HydrophobicContact CB-CE1 4.44Å; A174-F350 HydrophobicContact CB-CE2 3.67Å; A174-F350 HydrophobicContact CB-CG 3.88Å; A174-F350 HydrophobicContact CB-CZ 4.14Å; A174-T352 PolarHBondContact N-O 3.05Å; A174-L353 HydrophobicContact CB-CD1 4.19Å; A174-T354 PolarHBondContact O-N 2.95Å
175	L	97.7	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.5	166.9	-53.1	-179.7	0	0	0	108.6	L186 L187 I336 F337 S338 I339 T354	L175-L186 HydrophobicContact CD1-CD2 4.33Å; L175-L186 HydrophobicContact CD2-CD2 4.38Å; L175-L187 HydrophobicContact CD1-CB 4.26Å; L175-L187 HydrophobicContact CD1-CD1 4Å; L175-I336 HydrophobicContact CD1-CG2 4.36Å; L175-I336 HydrophobicContact CG-CG2 4.41Å; L175-F337 PolarHBondContact N-O 3.04Å; L175-S338 CarbonylContact O-C 3.52Å; L175-S338 WeakPolarHBondContact O-CA 2.8Å; L175-I339 PolarHBondContact O-N 3.19Å; L175-T354 WeakPolarHBondContact CA-O 3.44Å; L175-T354 HydrophobicContact CD2-CG2 4.13Å
176	M	96.3	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.4	-176.8	-145.3	-178.3	103.3	0	0	110.2	I339 P342 L353 T354 L355 I356 P389 F392 M393	M176-I339 HydrophobicContact CG-CG2 4.23Å; M176-I339 VanDerWaalsContact CG-O 3.31Å; M176-I339 WeakPolarHBondContact CG-O 3.06Å; M176-P342 HydrophobicContact SD-CG 4.18Å; M176-L353 HydrophobicContact CB-CD1 4.09Å; M176-T354 PolarHBondContact N-O 3.24Å; M176-L355 HydrophobicContact CB-CD2 3.7Å; M176-L355 HydrophobicContact CE-CD2 4.4Å; M176-L355 CarbonylContact O-C 3.53Å; M176-L355 WeakPolarHBondContact O-CA 3.23Å; M176-I356 PolarHBondContact O-N 3.39Å; M176-P389 HydrophobicContact CE-CB 3.72Å; M176-P389 WeakPolarHBondContact CE-O 3.37Å; M176-P389 HydrophobicContact SD-CB 3.96Å; M176-F392 HydrophobicContact CE-CB 4.44Å; M176-F392 HydrophobicContact CE-CD2 4.5Å; M176-M393 HydrophobicContact CB-CE 4.38Å; M176-M393 HydrophobicContact CE-CE 3.29Å; M176-M393 HydrophobicContact CE-CG 3.85Å; M176-M393 HydrophobicContact CE-SD 4.3Å; M176-M393 HydrophobicContact CG-CE 3.59Å; M176-M393 HydrophobicContact SD-CE 4.25Å
177	G	94	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.142	C	C	.	.			trans	161.2	166.9	-179.5	0	0	0	0	0	111.9	K183 I356 M393	G177-K183 WeakPolarHBondContact O-CD 3.3Å; G177-K183 PolarHBondContact O-NZ 3.42Å; G177-I356 WeakPolarHBondContact CA-O 3.47Å; G177-M393 VanDerWaalsContact C-CE 3.43Å; G177-M393 VanDerWaalsContact CA-CE 3.44Å
178	P	91.8	Very high	94.7	Very high	7 Å²	7	21.9 Å²	21.9	5%	0.045	14%	0.143	C	C	.	.	S	Bend	trans	-57.7	163.9	179.8	-24.9	33.3	0	0	0	113.1	G180 S181 K183 Y357 M393 I396	P178-G180 PolarHBondContact O-N 2.96Å; P178-S181 VanDerWaalsContact O-CB 3.25Å; P178-S181 WeakPolarHBondContact O-CB 2.97Å; P178-S181 PolarHBondContact O-N 3.45Å; P178-S181 VanDerWaalsContact O-N 3.16Å; P178-S181 PolarHBondContact O-OG 3.43Å; P178-K183 PolarHBondContact O-NZ 2.87Å; P178-Y357 HydrophobicContact CG-CD2 4.23Å; P178-M393 HydrophobicContact CG-SD 4.39Å; P178-I396 HydrophobicContact CG-CB 4.48Å; P178-I396 HydrophobicContact CG-CG2 3.56Å
179	T	90.9	Very high	94.6	Very high	123 Å²	123	22 Å²	22	76%	0.755	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	134.9	170.7	-56.9	0	0	0	0	110.1	S181	T179-S181 VanDerWaalsContact C-N 3.27Å; T179-S181 PolarHBondContact O-N 3.13Å
180	G	89.4	Confident	94.6	Very high	76 Å²	76	17.1 Å²	17.1	78%	0.784	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	3.8	-176.8	0	0	0	0	0	116	P178 G182	P178-G180 PolarHBondContact O-N 2.96Å; G180-G182 PolarHBondContact O-N 3.24Å
181	S	92.4	Very high	94.4	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.028	11%	0.106	C	C	.	.	S	Bend	trans	-68.9	-13	177	55.2	0	0	0	0	115	P178 T179 K183 I356 G359	P178-S181 VanDerWaalsContact O-CB 3.25Å; P178-S181 WeakPolarHBondContact O-CB 2.97Å; P178-S181 PolarHBondContact O-N 3.45Å; P178-S181 VanDerWaalsContact O-N 3.16Å; P178-S181 PolarHBondContact O-OG 3.43Å; T179-S181 VanDerWaalsContact C-N 3.27Å; T179-S181 PolarHBondContact O-N 3.13Å; S181-K183 VanDerWaalsContact OG-CG 3.28Å; S181-K183 WeakPolarHBondContact OG-CG 3.28Å; S181-I356 WeakPolarHBondContact CB-O 3.32Å; S181-I356 WeakPolarHBondContact O-CG2 3.3Å; S181-G359 WeakPolarHBondContact O-CA 3.27Å; S181-G359 PolarHBondContact O-N 3.16Å
182	G	93.3	Very high	94.1	Very high	7 Å²	7	14.8 Å²	14.8	7%	0.072	11%	0.113	C	C	.	.	S	Bend	trans	102.5	9.1	-179.1	0	0	0	0	0	115.4	G180 S184 S185 L186	G180-G182 PolarHBondContact O-N 3.24Å; G182-S184 PolarHBondContact O-N 3.27Å; G182-S185 WeakPolarHBondContact O-CB 3.46Å; G182-S185 PolarHBondContact O-N 2.61Å; G182-L186 PolarHBondContact O-N 2.78Å
183	K	94.8	Very high	93.7	Very high	9 Å²	9	15.5 Å²	15.5	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-51.4	-58.5	179.2	-43.4	-177.5	-74.1	-84.1	0	113.5	G177 P178 S181 S185 L186 L187	G177-K183 WeakPolarHBondContact O-CD 3.3Å; G177-K183 PolarHBondContact O-NZ 3.42Å; P178-K183 PolarHBondContact O-NZ 2.87Å; S181-K183 VanDerWaalsContact OG-CG 3.28Å; S181-K183 WeakPolarHBondContact OG-CG 3.28Å; K183-S185 VanDerWaalsContact C-N 3.3Å; K183-S185 PolarHBondContact O-N 3.34Å; K183-L186 PolarHBondContact O-N 2.81Å; K183-L187 PolarHBondContact O-N 2.67Å
184	S	94.5	Very high	93.3	Very high	32 Å²	32	16.6 Å²	16.6	22%	0.224	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-33.3	-178.8	-53.8	0	0	0	0	111.1	G182 L187 D188 D307	G182-S184 PolarHBondContact O-N 3.27Å; S184-L187 PolarHBondContact O-N 3.4Å; S184-D188 WeakPolarHBondContact O-CB 3.49Å; S184-D188 PolarHBondContact O-N 2.88Å; S184-D307 WeakPolarHBondContact CB-OD1 3.22Å; S184-D307 PolarHBondContact OG-OD1 3.38Å
185	S	94.8	Very high	92.7	Very high	25 Å²	25	18 Å²	18	18%	0.175	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-46.6	173.3	-56.4	0	0	0	0	111.8	I160 G182 K183 D188 V189	I160-S185 WeakPolarHBondContact CG2-OG 3.4Å; G182-S185 WeakPolarHBondContact O-CB 3.46Å; G182-S185 PolarHBondContact O-N 2.61Å; K183-S185 VanDerWaalsContact C-N 3.3Å; K183-S185 PolarHBondContact O-N 3.34Å; S185-D188 PolarHBondContact O-N 3.33Å; S185-V189 VanDerWaalsContact O-CG2 3.29Å; S185-V189 WeakPolarHBondContact O-CG2 3.48Å; S185-V189 PolarHBondContact O-N 2.91Å
186	L	96.1	Very high	92.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.6	-47.2	174.9	-179.9	60.6	0	0	0	110.1	L161 V164 L175 G182 K183 D188 V189 L190 I356	L161-L186 HydrophobicContact CD1-CB 4.13Å; L161-L186 HydrophobicContact CD1-CD1 4.14Å; L161-L186 HydrophobicContact CD2-CB 4.04Å; V164-L186 HydrophobicContact CG2-CD1 3.83Å; L175-L186 HydrophobicContact CD1-CD2 4.33Å; L175-L186 HydrophobicContact CD2-CD2 4.38Å; G182-L186 PolarHBondContact O-N 2.78Å; K183-L186 PolarHBondContact O-N 2.81Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-D188 PolarHBondContact O-N 2.56Å; L186-V189 PolarHBondContact O-N 3.14Å; L186-V189 VanDerWaalsContact O-N 3.13Å; L186-L190 HydrophobicContact CD1-CD1 4.34Å; L186-L190 HydrophobicContact CD1-CD2 4.11Å; L186-L190 HydrophobicContact CD1-CG 4.02Å; L186-L190 HydrophobicContact CG-CD1 4.14Å; L186-L190 HydrophobicContact CG-CG 4.21Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.27Å; L186-I356 HydrophobicContact CB-CD1 4.33Å; L186-I356 HydrophobicContact CD2-CD1 3.37Å; L186-I356 HydrophobicContact CG-CD1 4.48Å
187	L	95.8	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.8	-45.8	178.5	-165.9	74.6	0	0	0	112.1	L175 K183 S184 L190 A191 Y220 F305 L306 D307 I336	L175-L187 HydrophobicContact CD1-CB 4.26Å; L175-L187 HydrophobicContact CD1-CD1 4Å; K183-L187 PolarHBondContact O-N 2.67Å; S184-L187 PolarHBondContact O-N 3.4Å; L187-L190 PolarHBondContact O-N 2.91Å; L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 2.83Å; L187-Y220 HydrophobicContact CD2-CE2 4.18Å; L187-Y220 HydrophobicContact CG-CE2 4.15Å; L187-F305 HydrophobicContact CD1-CB 4.26Å; L187-F305 HydrophobicContact CD1-CD1 3.79Å; L187-F305 HydrophobicContact CG-CB 4.39Å; L187-F305 HydrophobicContact CG-CD1 4.37Å; L187-L306 WeakPolarHBondContact CD2-O 3.39Å; L187-D307 HydrophobicContact CD2-CB 3.92Å; L187-I336 HydrophobicContact CD1-CB 4.32Å; L187-I336 HydrophobicContact CD1-CG2 3.66Å
188	D	93.5	Very high	91.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-39.8	176.9	-72.8	-32.7	0	0	0	111.9	S184 S185 L186 A191 G192 R193 K194 Y220 K758	S184-D188 WeakPolarHBondContact O-CB 3.49Å; S184-D188 PolarHBondContact O-N 2.88Å; S185-D188 PolarHBondContact O-N 3.33Å; L186-D188 VanDerWaalsContact C-N 3.33Å; L186-D188 PolarHBondContact O-N 2.56Å; D188-A191 PolarHBondContact O-N 3.48Å; D188-G192 PolarHBondContact O-N 3.3Å; D188-R193 HydrophobicContact CB-CB 4.36Å; D188-R193 PolarHBondContact O-N 2.87Å; D188-K194 HydrophobicContact CB-CD 3.97Å; D188-K194 HydrophobicContact CB-CG 3.81Å; D188-K194 VanDerWaalsContact OD2-CE 3.24Å; D188-K194 WeakPolarHBondContact OD2-CE 3.26Å; D188-K194 IonicContact OD2-NZ 2.72Å; D188-K194 PolarHBondContact OD2-NZ 3.23Å; D188-K194 VanDerWaalsContact OD2-NZ 3.16Å; D188-Y220 PolarHBondContact OD1-OH 3.15Å; D188-K758 WeakPolarHBondContact OD1-CD 3.47Å; D188-K758 IonicContact OD1-NZ 3.83Å; D188-K758 PolarHBondContact OD1-NZ 3.03Å; D188-K758 WeakPolarHBondContact OD2-CD 3.33Å; D188-K758 IonicContact OD2-NZ 2.67Å
189	V	93.9	Very high	91.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-48.2	175.7	166.5	0	0	0	0	110.6	I141 Y143 L161 S185 L186 A191 G192 K194 L199	I141-V189 HydrophobicContact CG2-CG1 3.82Å; Y143-V189 HydrophobicContact CD2-CG2 4.47Å; Y143-V189 HydrophobicContact CG-CG2 4.31Å; L161-V189 HydrophobicContact CD1-CB 4.48Å; L161-V189 HydrophobicContact CD1-CG2 4.01Å; S185-V189 VanDerWaalsContact O-CG2 3.29Å; S185-V189 WeakPolarHBondContact O-CG2 3.48Å; S185-V189 PolarHBondContact O-N 2.91Å; L186-V189 PolarHBondContact O-N 3.14Å; L186-V189 VanDerWaalsContact O-N 3.13Å; V189-A191 PolarHBondContact O-N 3.28Å; V189-G192 PolarHBondContact O-N 3.44Å; V189-K194 HydrophobicContact CG2-CB 4.04Å; V189-K194 HydrophobicContact CG2-CG 3.7Å; V189-L199 HydrophobicContact CB-CD1 4.37Å; V189-L199 HydrophobicContact CG1-CD1 3.46Å; V189-L199 VanDerWaalsContact CG1-CD1 3.46Å; V189-L199 HydrophobicContact CG1-CD2 4.13Å; V189-L199 HydrophobicContact CG1-CG 4.46Å; V189-L199 HydrophobicContact CG2-CD1 3.92Å
190	L	94.4	Very high	91.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-32.2	178.9	-61.6	-175.8	0	0	0	111.9	L136 F138 L168 L186 L187 G192 V203 Q210 F214 F305	L136-L190 HydrophobicContact CD2-CD1 4.28Å; L136-L190 HydrophobicContact CD2-CD2 3.98Å; L136-L190 HydrophobicContact CD2-CG 4.48Å; F138-L190 HydrophobicContact CB-CD2 3.57Å; F138-L190 HydrophobicContact CD1-CD1 4.21Å; F138-L190 HydrophobicContact CD1-CD2 3.79Å; F138-L190 HydrophobicContact CE1-CD1 4.39Å; F138-L190 HydrophobicContact CG-CD2 3.77Å; L168-L190 HydrophobicContact CD1-CD1 3.77Å; L186-L190 HydrophobicContact CD1-CD1 4.34Å; L186-L190 HydrophobicContact CD1-CD2 4.11Å; L186-L190 HydrophobicContact CD1-CG 4.02Å; L186-L190 HydrophobicContact CG-CD1 4.14Å; L186-L190 HydrophobicContact CG-CG 4.21Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.27Å; L187-L190 PolarHBondContact O-N 2.91Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.1Å; L190-V203 HydrophobicContact CD2-CG1 4.2Å; L190-V203 HydrophobicContact CD2-CG2 4.1Å; L190-Q210 PolarHBondContact O-NE2 2.95Å; L190-F214 WeakPolarHBondContact O-CE1 2.97Å; L190-F305 HydrophobicContact CB-CE1 3.7Å; L190-F305 HydrophobicContact CB-CZ 4.26Å; L190-F305 WeakPolarHBondContact O-CZ 3.49Å
191	A	92	Very high	91.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.8	174.6	0	0	0	0	0	114.3	L187 D188 V189 R193 Y220 F305	L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 2.83Å; D188-A191 PolarHBondContact O-N 3.48Å; V189-A191 PolarHBondContact O-N 3.28Å; A191-R193 VanDerWaalsContact C-N 3.28Å; A191-R193 HydrophobicContact CB-CG 4.1Å; A191-R193 PolarHBondContact O-N 3.4Å; A191-Y220 HydrophobicContact CB-CD2 3.42Å; A191-Y220 VanDerWaalsContact CB-CD2 3.42Å; A191-Y220 HydrophobicContact CB-CE2 3.78Å; A191-F305 HydrophobicContact CB-CD1 4.31Å; A191-F305 HydrophobicContact CB-CD2 3.8Å; A191-F305 HydrophobicContact CB-CE1 4.45Å; A191-F305 HydrophobicContact CB-CE2 3.96Å; A191-F305 HydrophobicContact CB-CG 3.97Å; A191-F305 HydrophobicContact CB-CZ 4.28Å
192	G	89.1	Confident	91.7	Very high	20 Å²	20	35.2 Å²	35.2	21%	0.206	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	23	-177.6	0	0	0	0	0	114.1	D188 V189 L190 K215	D188-G192 PolarHBondContact O-N 3.3Å; V189-G192 PolarHBondContact O-N 3.44Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.1Å; G192-K215 WeakPolarHBondContact O-CE 3.46Å
193	R	88.4	Confident	91.7	Very high	14 Å²	14	35.7 Å²	35.7	5%	0.053	20%	0.201	C	C	.	.			trans	-93.7	-8.8	-175.7	-68.1	-169	170.5	-136.9	-9.7	114.8	D188 A191 Y220 S565 Y757 K758	D188-R193 HydrophobicContact CB-CB 4.36Å; D188-R193 PolarHBondContact O-N 2.87Å; A191-R193 VanDerWaalsContact C-N 3.28Å; A191-R193 HydrophobicContact CB-CG 4.1Å; A191-R193 PolarHBondContact O-N 3.4Å; R193-Y220 VanDerWaalsContact CZ-CB 3.42Å; R193-Y220 VanDerWaalsContact CZ-CG 3.5Å; R193-Y220 VanDerWaalsContact NE-CG 3.28Å; R193-S565 PolarHBondContact NH2-OG 3.02Å; R193-Y757 WeakPolarHBondContact O-CD1 3.33Å; R193-K758 PolarHBondContact O-N 3.46Å
194	K	89.2	Confident	91.6	Very high	24 Å²	24	35.4 Å²	35.4	10%	0.104	20%	0.2	C	C	.	.	S	Bend	trans	-86.6	159.4	170.4	-67.9	-52.6	-172.4	-170.8	0	112.7	Y143 D188 V189 P196 Y757 K758	Y143-K194 HydrophobicContact CD2-CB 4.47Å; Y143-K194 HydrophobicContact CE1-CD 4.16Å; Y143-K194 HydrophobicContact CE1-CG 4.26Å; Y143-K194 HydrophobicContact CE2-CB 3.86Å; Y143-K194 HydrophobicContact CE2-CG 4.2Å; D188-K194 HydrophobicContact CB-CD 3.97Å; D188-K194 HydrophobicContact CB-CG 3.81Å; D188-K194 VanDerWaalsContact OD2-CE 3.24Å; D188-K194 WeakPolarHBondContact OD2-CE 3.26Å; D188-K194 IonicContact OD2-NZ 2.72Å; D188-K194 PolarHBondContact OD2-NZ 3.23Å; D188-K194 VanDerWaalsContact OD2-NZ 3.16Å; V189-K194 HydrophobicContact CG2-CB 4.04Å; V189-K194 HydrophobicContact CG2-CG 3.7Å; K194-P196 WeakPolarHBondContact O-CD 3.06Å; K194-Y757 VanDerWaalsContact C-CD1 3.46Å; K194-Y757 VanDerWaalsContact O-CD1 3.31Å; K194-Y757 WeakPolarHBondContact O-CD1 3.32Å; K194-Y757 WeakPolarHBondContact O-CE1 3.21Å; K194-K758 WeakPolarHBondContact CD-O 3.24Å; K194-K758 PolarHBondContact NZ-O 2.83Å; K194-K758 PolarHBondContact NZ-OXT 3.11Å
195	D	84.8	Confident	91.4	Very high	28 Å²	28	35 Å²	35	15%	0.15	20%	0.195	C	C	.	.			trans	-69.1	120.2	176.3	-173.7	-16.2	0	0	0	109.3	K197 F198 Y757	D195-K197 PolarHBondContact O-N 3.42Å; D195-K197 VanDerWaalsContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CB 3.44Å; D195-K197 WeakPolarHBondContact OD1-CG 3.38Å; D195-K197 PolarHBondContact OD1-N 2.83Å; D195-F198 HydrophobicContact CB-CD2 4.18Å; D195-F198 PolarHBondContact O-N 2.74Å; D195-Y757 HydrophobicContact CB-CD2 4.13Å; D195-Y757 HydrophobicContact CB-CG 4.15Å
196	P	85.4	Confident	91.1	Very high	81 Å²	81	38.4 Å²	38.4	53%	0.526	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-63	-16.8	-179.3	26.3	-35.9	0	0	0	113.5	K194 F198 L199	K194-P196 WeakPolarHBondContact O-CD 3.06Å; P196-F198 PolarHBondContact O-N 2.67Å; P196-L199 PolarHBondContact O-N 3.01Å
197	K	86.5	Confident	90.7	Very high	173 Å²	173	39.3 Å²	39.3	75%	0.752	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-63	-26.6	179.4	-71	177.4	-177.4	176.7	0	114.2	D195	D195-K197 PolarHBondContact O-N 3.42Å; D195-K197 VanDerWaalsContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CB 3.44Å; D195-K197 WeakPolarHBondContact OD1-CG 3.38Å; D195-K197 PolarHBondContact OD1-N 2.83Å
198	F	88.5	Confident	90.3	Very high	64 Å²	64	47.6 Å²	47.6	28%	0.281	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-112.6	14.1	-178.7	-48.8	-77.2	0	0	0	112.5	Y143 E144 K146 D195 P196	Y143-F198 WeakPolarHBondContact CA-O 3.45Å; Y143-F198 HydrophobicContact CD2-CB 4.32Å; Y143-F198 WeakPolarHBondContact CD2-O 3.29Å; Y143-F198 HydrophobicContact CE2-CB 3.97Å; E144-F198 PolarHBondContact N-O 2.96Å; E144-F198 WeakPolarHBondContact O-CB 3.47Å; K146-F198 HydrophobicContact CD-CE1 3.9Å; K146-F198 HydrophobicContact CD-CZ 4.37Å; K146-F198 HydrophobicContact CG-CE1 4.1Å; D195-F198 HydrophobicContact CB-CD2 4.18Å; D195-F198 PolarHBondContact O-N 2.74Å; P196-F198 PolarHBondContact O-N 2.67Å
199	L	92.6	Very high	90	Very high	56 Å²	56	50.5 Å²	50.5	29%	0.293	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.2	-179.3	-179.1	68.8	0	0	0	109.3	I141 Y143 V189 P196	I141-L199 HydrophobicContact CG2-CD1 3.99Å; Y143-L199 HydrophobicContact CD2-CB 4.42Å; Y143-L199 HydrophobicContact CD2-CD1 4.43Å; V189-L199 HydrophobicContact CB-CD1 4.37Å; V189-L199 HydrophobicContact CG1-CD1 3.46Å; V189-L199 VanDerWaalsContact CG1-CD1 3.46Å; V189-L199 HydrophobicContact CG1-CD2 4.13Å; V189-L199 HydrophobicContact CG1-CG 4.46Å; V189-L199 HydrophobicContact CG2-CD1 3.92Å; P196-L199 PolarHBondContact O-N 3.01Å
200	S	93.7	Very high	89.6	Confident	58 Å²	58	52.8 Å²	52.8	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	161.9	165.3	62	0	0	0	0	110.4	I141 S142	I141-S200 WeakPolarHBondContact CA-O 3.42Å; S142-S200 WeakPolarHBondContact CB-OG 3.43Å; S142-S200 PolarHBondContact N-O 3.45Å; S142-S200 PolarHBondContact N-OG 3.24Å; S142-S200 PolarHBondContact O-N 2.77Å; S142-S200 PolarHBondContact O-OG 2.88Å
201	G	92.5	Very high	89	Confident	43 Å²	43	55.5 Å²	55.5	44%	0.443	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-174.1	-178	0	0	0	0	0	114.1	H139 H140	H139-G201 CarbonylContact O-C 3.59Å; H139-G201 VanDerWaalsContact O-CA 3.25Å; H139-G201 WeakPolarHBondContact O-CA 3.44Å; H140-G201 VanDerWaalsContact O-CA 3.23Å; H140-G201 WeakPolarHBondContact O-CA 3.21Å
202	K	91.9	Very high	88.3	Confident	97 Å²	97	62.9 Å²	62.9	42%	0.422	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.8	-175.6	-62.2	178.3	-174.9	173.5	0	110.9	F138 H139 E454	F138-K202 WeakPolarHBondContact CA-O 3.44Å; H139-K202 HydrophobicContact CB-CB 4.37Å; H139-K202 PolarHBondContact CD2-O 3.35Å; H139-K202 PolarHBondContact N-O 3.1Å; H139-K202 PolarHBondContact O-N 3.4Å; K202-E454 IonicContact NZ-OE1 2.95Å
203	V	93.3	Very high	87.6	Confident	17 Å²	17	63.9 Å²	63.9	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.6	167.4	-172.5	0	0	0	0	108.6	L136 S137 F138 I141 L190 Q210	L136-V203 HydrophobicContact CD2-CG1 3.93Å; L136-V203 HydrophobicContact CG-CG1 4.21Å; S137-V203 WeakPolarHBondContact O-CA 3.42Å; F138-V203 HydrophobicContact CB-CG2 4.35Å; I141-V203 HydrophobicContact CD1-CG2 3.71Å; I141-V203 HydrophobicContact CG1-CG2 4.41Å; L190-V203 HydrophobicContact CD2-CG1 4.2Å; L190-V203 HydrophobicContact CD2-CG2 4.1Å; V203-Q210 HydrophobicContact CB-CG 4.32Å; V203-Q210 HydrophobicContact CG1-CG 4.36Å
204	L	92.8	Very high	87.4	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140	-178	-50.4	179.5	0	0	0	110.9	L136 S137 R208 P209 I449 L453	L136-L204 WeakPolarHBondContact CA-O 3.1Å; S137-L204 PolarHBondContact N-O 2.92Å; S137-L204 PolarHBondContact O-N 3.29Å; L204-R208 CarbonylContact C-O 3.46Å; L204-R208 WeakPolarHBondContact CA-O 3.38Å; L204-P209 HydrophobicContact CD2-CG 4.37Å; L204-I449 HydrophobicContact CD1-CG2 4.04Å; L204-L453 HydrophobicContact CD1-CD2 4.03Å; L204-L453 HydrophobicContact CD2-CD2 3.62Å
205	I	90.6	Very high	86.8	Confident	23 Å²	23	64.9 Å²	64.9	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.8	176.6	-57.7	169.2	0	0	0	107.2	A134 G207 R208 Q210 F214	A134-I205 HydrophobicContact CB-CG2 3.55Å; I205-G207 PolarHBondContact O-N 3.35Å; I205-G207 VanDerWaalsContact O-N 3.14Å; I205-R208 PolarHBondContact N-O 3.4Å; I205-R208 PolarHBondContact O-N 3Å; I205-Q210 HydrophobicContact CD1-CB 4.47Å; I205-Q210 HydrophobicContact CD1-CG 3.92Å; I205-Q210 HydrophobicContact CG1-CG 4.3Å; I205-F214 HydrophobicContact CD1-CD1 4.43Å; I205-F214 HydrophobicContact CD1-CD2 3.44Å; I205-F214 VanDerWaalsContact CD1-CD2 3.44Å; I205-F214 HydrophobicContact CD1-CE1 4.1Å; I205-F214 HydrophobicContact CD1-CE2 3.06Å; I205-F214 HydrophobicContact CD1-CG 4.14Å; I205-F214 HydrophobicContact CD1-CZ 3.42Å; I205-F214 VanDerWaalsContact CD1-CZ 3.42Å; I205-F214 HydrophobicContact CG1-CE2 4.38Å; I205-F214 HydrophobicContact CG1-CZ 4.47Å
206	D	89.3	Confident	86.3	Confident	97 Å²	97	65.3 Å²	65.3	52%	0.519	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	37.9	-172.5	-62.8	-42.2	0	0	0	112.6	A134 K135 R208	A134-D206 WeakPolarHBondContact CA-OD1 3.38Å; A134-D206 WeakPolarHBondContact CA-OD2 3.41Å; A134-D206 VanDerWaalsContact CB-OD2 3.24Å; A134-D206 WeakPolarHBondContact CB-OD2 3.48Å; K135-D206 PolarHBondContact N-OD1 2.68Å; K135-D206 PolarHBondContact O-N 3.27Å; D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.2Å
207	G	87.5	Confident	86	Confident	19 Å²	19	64.6 Å²	64.6	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	6.7	-179.4	0	0	0	0	0	115.4	I205	I205-G207 PolarHBondContact O-N 3.35Å; I205-G207 VanDerWaalsContact O-N 3.14Å
208	R	87.2	Confident	86	Confident	173 Å²	173	56.4 Å²	56.4	65%	0.653	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.5	176.9	-62	-178.9	-178.6	178.1	0.5	111.5	L204 I205 D206	L204-R208 CarbonylContact C-O 3.46Å; L204-R208 WeakPolarHBondContact CA-O 3.38Å; I205-R208 PolarHBondContact N-O 3.4Å; I205-R208 PolarHBondContact O-N 3Å; D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.2Å
209	P	87	Confident	86.2	Confident	66 Å²	66	53.3 Å²	53.3	43%	0.429	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	152	173.9	-23.2	33.1	0	0	0	112.2	L204 L453	L204-P209 HydrophobicContact CD2-CG 4.37Å; P209-L453 HydrophobicContact CG-CD1 4.44Å; P209-L453 HydrophobicContact CG-CD2 4.01Å
210	Q	85.7	Confident	86.2	Confident	51 Å²	51	50.7 Å²	50.7	24%	0.238	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-58.5	128.7	173.5	-62.2	-172	-15.5	0	0	110.4	L190 V203 I205 F214	L190-Q210 PolarHBondContact O-NE2 2.95Å; V203-Q210 HydrophobicContact CB-CG 4.32Å; V203-Q210 HydrophobicContact CG1-CG 4.36Å; I205-Q210 HydrophobicContact CD1-CB 4.47Å; I205-Q210 HydrophobicContact CD1-CG 3.92Å; I205-Q210 HydrophobicContact CG1-CG 4.3Å; Q210-F214 HydrophobicContact CB-CB 4.22Å; Q210-F214 HydrophobicContact CB-CD1 4.4Å; Q210-F214 HydrophobicContact CB-CG 4.29Å; Q210-F214 HydrophobicContact CG-CD1 4.23Å; Q210-F214 HydrophobicContact CG-CG 4.49Å
211	P	81.8	Confident	86.3	Confident	57 Å²	57	48 Å²	48	37%	0.37	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-66.2	152.3	174.9	30.1	-35.6	0	0	0	109.8	N213 F214 I217	P211-N213 WeakPolarHBondContact CB-OD1 3.37Å; P211-N213 PolarHBondContact O-N 2.91Å; P211-N213 VanDerWaalsContact O-N 3.09Å; P211-F214 HydrophobicContact CG-CB 4.11Å; P211-F214 HydrophobicContact CG-CD2 4.47Å; P211-F214 WeakPolarHBondContact O-CB 3.48Å; P211-F214 PolarHBondContact O-N 3.12Å; P211-I217 HydrophobicContact CG-CD1 4.03Å
212	K	75.7	Confident	86.3	Confident	156 Å²	156	46.6 Å²	46.6	68%	0.678	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.6	-177.2	-69.3	-177.5	178.1	176.2	0	113.5	F214	K212-F214 VanDerWaalsContact C-N 3.34Å
213	N	75.7	Confident	86.2	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.219	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	18.4	176.2	65	-22.6	0	0	0	113.2	P211 K215 C216 I217	P211-N213 WeakPolarHBondContact CB-OD1 3.37Å; P211-N213 PolarHBondContact O-N 2.91Å; P211-N213 VanDerWaalsContact O-N 3.09Å; N213-K215 PolarHBondContact O-N 2.64Å; N213-K215 VanDerWaalsContact O-N 3.11Å; N213-C216 WeakPolarHBondContact O-CB 3.18Å; N213-C216 PolarHBondContact O-N 2.77Å; N213-I217 PolarHBondContact O-N 2.96Å; N213-I217 WeakPolarHBondContact OD1-CD1 3.27Å
214	F	82.9	Confident	86	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-52.9	-37.2	-178.1	-177.1	-122.8	0	0	0	112.4	L190 I205 Q210 P211 K212 C216 I217 S218 F305	L190-F214 WeakPolarHBondContact O-CE1 2.97Å; I205-F214 HydrophobicContact CD1-CD1 4.43Å; I205-F214 HydrophobicContact CD1-CD2 3.44Å; I205-F214 VanDerWaalsContact CD1-CD2 3.44Å; I205-F214 HydrophobicContact CD1-CE1 4.1Å; I205-F214 HydrophobicContact CD1-CE2 3.06Å; I205-F214 HydrophobicContact CD1-CG 4.14Å; I205-F214 HydrophobicContact CD1-CZ 3.42Å; I205-F214 VanDerWaalsContact CD1-CZ 3.42Å; I205-F214 HydrophobicContact CG1-CE2 4.38Å; I205-F214 HydrophobicContact CG1-CZ 4.47Å; Q210-F214 HydrophobicContact CB-CB 4.22Å; Q210-F214 HydrophobicContact CB-CD1 4.4Å; Q210-F214 HydrophobicContact CB-CG 4.29Å; Q210-F214 HydrophobicContact CG-CD1 4.23Å; Q210-F214 HydrophobicContact CG-CG 4.49Å; P211-F214 HydrophobicContact CG-CB 4.11Å; P211-F214 HydrophobicContact CG-CD2 4.47Å; P211-F214 WeakPolarHBondContact O-CB 3.48Å; P211-F214 PolarHBondContact O-N 3.12Å; K212-F214 VanDerWaalsContact C-N 3.34Å; F214-C216 PolarHBondContact O-N 2.8Å; F214-C216 VanDerWaalsContact O-N 3.11Å; F214-I217 PolarHBondContact O-N 2.7Å; F214-S218 PolarHBondContact O-N 2.69Å; F214-S218 PolarHBondContact O-OG 3.14Å; F214-S218 VanDerWaalsContact O-OG 3.06Å; F214-F305 HydrophobicContact CE1-CE2 4.07Å; F214-F305 HydrophobicContact CE1-CZ 4.33Å; F214-F305 AromaticContact CZ-CE2 3.92Å; F214-F305 HydrophobicContact CZ-CE2 3.92Å; F214-F305 HydrophobicContact CZ-CZ 4.23Å
215	K	77.7	Confident	85.8	Confident	51 Å²	51	51.8 Å²	51.8	22%	0.222	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-30.5	175.2	-63.4	-179.1	176.7	-176.5	0	114.5	G192 N213	G192-K215 WeakPolarHBondContact O-CE 3.46Å; N213-K215 PolarHBondContact O-N 2.64Å; N213-K215 VanDerWaalsContact O-N 3.11Å
216	C	73.7	Confident	85.8	Confident	36 Å²	36	51.9 Å²	51.9	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-89	-18.3	179.3	-57.2	0	0	0	0	112.6	N213 F214	N213-C216 WeakPolarHBondContact O-CB 3.18Å; N213-C216 PolarHBondContact O-N 2.77Å; F214-C216 PolarHBondContact O-N 2.8Å; F214-C216 VanDerWaalsContact O-N 3.11Å
217	I	79.2	Confident	86	Confident	67 Å²	67	48.4 Å²	48.4	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-98	-33.4	-177	-57.9	167.6	0	0	0	110.8	P211 N213 F214 P301 P302	P211-I217 HydrophobicContact CG-CD1 4.03Å; N213-I217 PolarHBondContact O-N 2.96Å; N213-I217 WeakPolarHBondContact OD1-CD1 3.27Å; F214-I217 PolarHBondContact O-N 2.7Å; I217-P301 WeakPolarHBondContact O-CA 3.23Å; I217-P301 VanDerWaalsContact O-CB 3.23Å; I217-P301 WeakPolarHBondContact O-CB 3.5Å; I217-P302 HydrophobicContact CG2-CG 4.46Å
218	S	87.7	Confident	86.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-81.7	143.8	174	65.4	0	0	0	0	111.2	F214	F214-S218 PolarHBondContact O-N 2.69Å; F214-S218 PolarHBondContact O-OG 3.14Å; F214-S218 VanDerWaalsContact O-OG 3.06Å
219	G	91.2	Very high	86.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.1	167.1	0	0	0	0	0	110.1	E296 P301 V303 F305	G219-E296 WeakPolarHBondContact CA-OE2 3.45Å; G219-P301 VanDerWaalsContact N-CB 3.28Å; G219-V303 PolarHBondContact N-O 3.36Å; G219-V303 VanDerWaalsContact N-O 3.12Å; G219-F305 WeakPolarHBondContact O-CD2 3.34Å; G219-F305 PolarHBondContact O-N 3.14Å
220	Y	93.8	Very high	86.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	112.5	174.7	-172.1	-77.6	0	0	0	111	L187 D188 A191 R193 V222 E296 F305 D307 K758	L187-Y220 HydrophobicContact CD2-CE2 4.18Å; L187-Y220 HydrophobicContact CG-CE2 4.15Å; D188-Y220 PolarHBondContact OD1-OH 3.15Å; A191-Y220 HydrophobicContact CB-CD2 3.42Å; A191-Y220 VanDerWaalsContact CB-CD2 3.42Å; A191-Y220 HydrophobicContact CB-CE2 3.78Å; R193-Y220 VanDerWaalsContact CZ-CB 3.42Å; R193-Y220 VanDerWaalsContact CZ-CG 3.5Å; R193-Y220 VanDerWaalsContact NE-CG 3.28Å; Y220-V222 HydrophobicContact CD1-CG1 3.94Å; Y220-V222 HydrophobicContact CE1-CB 4.48Å; Y220-V222 HydrophobicContact CE1-CG1 3.74Å; Y220-E296 PolarHBondContact N-OE2 2.79Å; Y220-F305 CarbonylContact C-O 3.53Å; Y220-F305 WeakPolarHBondContact CA-O 3.46Å; Y220-F305 HydrophobicContact CD2-CB 3.44Å; Y220-F305 VanDerWaalsContact CD2-CB 3.44Å; Y220-F305 HydrophobicContact CD2-CD2 4.43Å; Y220-F305 HydrophobicContact CD2-CG 4.13Å; Y220-F305 HydrophobicContact CE2-CB 3.92Å; Y220-F305 HydrophobicContact CG-CB 4.23Å; Y220-D307 PolarHBondContact OH-OD2 2.99Å; Y220-K758 PolarHBondContact OH-NZ 3.41Å; Y220-K758 VanDerWaalsContact OH-NZ 3.08Å
221	V	94.4	Very high	87.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.8	176.1	-175.7	0	0	0	0	108	I293 E296 L304 F305 L306 D307	V221-I293 HydrophobicContact CG1-CG1 4.28Å; V221-I293 HydrophobicContact CG2-CB 4.49Å; V221-I293 HydrophobicContact CG2-CG1 4.07Å; V221-E296 HydrophobicContact CG2-CB 4.28Å; V221-E296 HydrophobicContact CG2-CG 3.93Å; V221-L304 HydrophobicContact CG2-CD1 4.19Å; V221-F305 PolarHBondContact N-O 2.98Å; V221-L306 HydrophobicContact CB-CB 4.25Å; V221-L306 HydrophobicContact CB-CD2 4.09Å; V221-L306 HydrophobicContact CB-CG 4Å; V221-L306 HydrophobicContact CG1-CD2 4.43Å; V221-L306 HydrophobicContact CG2-CD2 4.06Å; V221-L306 HydrophobicContact CG2-CG 4.13Å; V221-L306 WeakPolarHBondContact O-CA 3.33Å; V221-D307 PolarHBondContact O-N 2.84Å
222	V	92.4	Very high	88	Confident	14 Å²	14	34 Å²	34	9%	0.085	18%	0.175	C	C	.	.			trans	-71.5	165	175.3	-73.5	0	0	0	0	111.7	Y220 D224 I226 K289	Y220-V222 HydrophobicContact CD1-CG1 3.94Å; Y220-V222 HydrophobicContact CE1-CB 4.48Å; Y220-V222 HydrophobicContact CE1-CG1 3.74Å; V222-D224 WeakPolarHBondContact CG2-O 3.32Å; V222-I226 HydrophobicContact CG2-CB 4.42Å; V222-I226 HydrophobicContact CG2-CD1 3.67Å; V222-I226 HydrophobicContact CG2-CG1 3.91Å; V222-K289 PolarHBondContact O-NZ 3.39Å; V222-K289 VanDerWaalsContact O-NZ 3.17Å
223	Q	91.6	Very high	89.1	Confident	76 Å²	76	26.6 Å²	26.6	36%	0.355	14%	0.143	S	C	.	.	S	Bend	trans	-60.5	-55.3	178.7	-178.4	174.3	2.6	0	0	111.1	K289 D307 E308	Q223-K289 PolarHBondContact O-NZ 3.31Å; Q223-D307 VanDerWaalsContact CA-O 3.31Å; Q223-D307 WeakPolarHBondContact CA-O 3.2Å; Q223-D307 HydrophobicContact CB-CB 4.33Å; Q223-E308 HydrophobicContact CG-CB 4.35Å; Q223-E308 PolarHBondContact NE2-OE2 2.83Å
224	D	88.4	Confident	90.1	Very high	118 Å²	118	27.6 Å²	27.6	63%	0.631	14%	0.144	S	C	*	.	S	Bend	trans	-76.7	135.2	174.6	-62.1	-32.7	0	0	0	111	V222 I226	V222-D224 WeakPolarHBondContact CG2-O 3.32Å; D224-I226 VanDerWaalsContact C-N 3.35Å; D224-I226 PolarHBondContact O-N 2.96Å
225	D	89.3	Confident	90.8	Very high	34 Å²	34	29.7 Å²	29.7	18%	0.182	15%	0.154	C	C	.	.			trans	-74.9	87.5	179.1	-66.2	-40.1	0	0	0	111.3	V227 R288 K289	D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 HydrophobicContact CB-CG2 4.34Å; D225-V227 PolarHBondContact O-N 2.78Å; D225-R288 HydrophobicContact CB-CG 3.9Å; D225-R288 IonicContact OD2-NE 3.83Å; D225-R288 PolarHBondContact OD2-NE 2.92Å; D225-R288 IonicContact OD2-NH2 3.57Å; D225-K289 WeakPolarHBondContact OD1-CD 3.45Å; D225-K289 IonicContact OD1-NZ 3.46Å; D225-K289 PolarHBondContact OD1-NZ 3.26Å
226	I	90.3	Very high	91.8	Very high	25 Å²	25	27.4 Å²	27.4	13%	0.128	14%	0.144	C	C	.	.			trans	-75.8	80.3	176.2	-55.7	172.7	0	0	0	109	V222 D224 V557 L558 H561	V222-I226 HydrophobicContact CG2-CB 4.42Å; V222-I226 HydrophobicContact CG2-CD1 3.67Å; V222-I226 HydrophobicContact CG2-CG1 3.91Å; D224-I226 VanDerWaalsContact C-N 3.35Å; D224-I226 PolarHBondContact O-N 2.96Å; I226-V557 HydrophobicContact CD1-CG1 3.45Å; I226-V557 VanDerWaalsContact CD1-CG1 3.45Å; I226-V557 HydrophobicContact CG1-CG1 3.84Å; I226-L558 HydrophobicContact CG2-CB 4.1Å; I226-L558 HydrophobicContact CG2-CD1 3.52Å; I226-L558 HydrophobicContact CG2-CG 4.43Å; I226-H561 HydrophobicContact CD1-CB 3.6Å; I226-H561 HydrophobicContact CG2-CB 4.07Å
227	V	92.9	Very high	92.9	Very high	23 Å²	23	25.7 Å²	25.7	14%	0.139	13%	0.132	C	C	.	.			trans	-127.3	141	177.9	-167.1	0	0	0	0	108.9	D225 G229 N236 V275 R288 T291 M295	D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 HydrophobicContact CB-CG2 4.34Å; D225-V227 PolarHBondContact O-N 2.78Å; V227-G229 PolarHBondContact O-N 2.98Å; V227-N236 HydrophobicContact CG1-CB 4.15Å; V227-N236 WeakPolarHBondContact CG1-OD1 3.3Å; V227-V275 HydrophobicContact CB-CG1 4.3Å; V227-V275 HydrophobicContact CG1-CB 4.49Å; V227-V275 HydrophobicContact CG1-CG1 4.08Å; V227-V275 HydrophobicContact CG1-CG2 4.06Å; V227-R288 HydrophobicContact CG2-CG 4.44Å; V227-T291 HydrophobicContact CG1-CG2 4.22Å; V227-M295 HydrophobicContact CB-CE 4.3Å; V227-M295 HydrophobicContact CG1-CE 4.18Å; V227-M295 HydrophobicContact CG1-SD 4.43Å; V227-M295 HydrophobicContact CG2-CE 3.72Å
228	M	92.5	Very high	93.7	Very high	20 Å²	20	24.2 Å²	24.2	10%	0.099	13%	0.127	C	C	.	.			trans	-79	108.4	-178.5	-175.3	163.1	-162.2	0	0	110.6	T230 L231 N236 R486 N490	M228-T230 VanDerWaalsContact C-N 3.33Å; M228-T230 PolarHBondContact O-N 3.14Å; M228-L231 HydrophobicContact CB-CD1 3.85Å; M228-L231 HydrophobicContact CG-CD1 3.67Å; M228-L231 HydrophobicContact CG-CG 4.26Å; M228-L231 PolarHBondContact O-N 3.24Å; M228-L231 HydrophobicContact SD-CD1 3.55Å; M228-L231 VanDerWaalsContact SD-CD1 3.55Å; M228-L231 HydrophobicContact SD-CG 4.48Å; M228-N236 PolarHBondContact N-OD1 2.89Å; M228-N236 PolarHBondContact O-ND2 3.17Å; M228-R486 VanDerWaalsContact SD-CD 3.59Å; M228-R486 HydrophobicContact SD-CG 3.78Å; M228-N490 HydrophobicContact CE-CB 3.35Å; M228-N490 WeakPolarHBondContact CE-OD1 3.5Å
229	G	92.9	Very high	94.1	Very high	11 Å²	11	25 Å²	25	11%	0.113	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.8	-169.3	0	0	0	0	0	116.6	V227 L231 G276	V227-G229 PolarHBondContact O-N 2.98Å; G229-L231 VanDerWaalsContact C-N 3.28Å; G229-L231 PolarHBondContact O-N 3.16Å; G229-G276 WeakPolarHBondContact CA-O 3.42Å; G229-G276 WeakPolarHBondContact O-CA 3.49Å; G229-G276 PolarHBondContact O-N 3.18Å
230	T	92.8	Very high	94.3	Very high	14 Å²	14	25 Å²	25	9%	0.086	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.8	179.1	52.8	0	0	0	0	113.4	M228 T277 N490 R493 D494	M228-T230 VanDerWaalsContact C-N 3.33Å; M228-T230 PolarHBondContact O-N 3.14Å; T230-T277 HydrophobicContact CG2-CG2 4.39Å; T230-N490 WeakPolarHBondContact CB-OD1 3.03Å; T230-N490 WeakPolarHBondContact CG2-OD1 3.48Å; T230-N490 PolarHBondContact OG1-OD1 3.14Å; T230-R493 VanDerWaalsContact O-CD 3.25Å; T230-R493 WeakPolarHBondContact O-CD 3.47Å; T230-R493 PolarHBondContact O-NH1 3.46Å; T230-R493 VanDerWaalsContact O-NH1 3.08Å; T230-D494 HydrophobicContact CG2-CB 4.02Å
231	L	95.7	Very high	94.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	-96.7	158.2	178	-67	159.4	0	0	0	110.9	M228 G229 E235 N236 V275 R486 L489	M228-L231 HydrophobicContact CB-CD1 3.85Å; M228-L231 HydrophobicContact CG-CD1 3.67Å; M228-L231 HydrophobicContact CG-CG 4.26Å; M228-L231 PolarHBondContact O-N 3.24Å; M228-L231 HydrophobicContact SD-CD1 3.55Å; M228-L231 VanDerWaalsContact SD-CD1 3.55Å; M228-L231 HydrophobicContact SD-CG 4.48Å; G229-L231 VanDerWaalsContact C-N 3.28Å; G229-L231 PolarHBondContact O-N 3.16Å; L231-E235 WeakPolarHBondContact CA-OE2 3.43Å; L231-E235 HydrophobicContact CB-CB 4.06Å; L231-E235 HydrophobicContact CD2-CB 4.02Å; L231-E235 WeakPolarHBondContact CD2-OE2 3.24Å; L231-N236 WeakPolarHBondContact CB-ND2 3.15Å; L231-V275 PolarHBondContact O-N 3.11Å; L231-R486 HydrophobicContact CD1-CG 3.58Å; L231-L489 HydrophobicContact CD2-CD2 3.57Å; L231-L489 HydrophobicContact CD2-CG 4.27Å
232	T	97.2	Very high	94.3	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.08	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-75.9	165.7	171.9	71.8	0	0	0	0	111.6	R234 E235 N236 D272 S273	T232-R234 VanDerWaalsContact C-N 3.32Å; T232-R234 PolarHBondContact O-N 3Å; T232-E235 PolarHBondContact N-OE2 3.19Å; T232-E235 PolarHBondContact O-N 3.42Å; T232-E235 WeakPolarHBondContact OG1-CB 3.46Å; T232-E235 VanDerWaalsContact OG1-CG 3.22Å; T232-E235 WeakPolarHBondContact OG1-CG 3.42Å; T232-E235 PolarHBondContact OG1-N 3.12Å; T232-E235 VanDerWaalsContact OG1-N 3.13Å; T232-E235 PolarHBondContact OG1-OE2 3.3Å; T232-N236 PolarHBondContact O-N 2.92Å; T232-N236 PolarHBondContact O-ND2 2.87Å; T232-D272 VanDerWaalsContact CG2-O 3.26Å; T232-D272 WeakPolarHBondContact CG2-O 3.31Å; T232-S273 WeakPolarHBondContact CA-O 3.5Å; T232-S273 WeakPolarHBondContact CB-O 3.14Å
233	V	98	Very high	94.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.3	-49.4	173.6	171.4	0	0	0	0	110.4	E235 N236 L237 L267 V270 S273 V275 V283 T291	V233-E235 VanDerWaalsContact C-N 3.34Å; V233-E235 PolarHBondContact O-N 2.98Å; V233-N236 PolarHBondContact O-N 3.16Å; V233-L237 HydrophobicContact CG1-CD1 4.23Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 2.84Å; V233-L237 VanDerWaalsContact O-N 3.09Å; V233-L267 HydrophobicContact CG1-CB 4.44Å; V233-L267 HydrophobicContact CG1-CD1 4.01Å; V233-V270 HydrophobicContact CG2-CG2 4.49Å; V233-V270 WeakPolarHBondContact CG2-O 3.36Å; V233-S273 PolarHBondContact N-O 3.38Å; V233-S273 VanDerWaalsContact N-O 3.16Å; V233-V275 HydrophobicContact CG2-CG2 4.05Å; V233-V283 HydrophobicContact CG2-CG1 4.1Å; V233-T291 HydrophobicContact CB-CG2 4.4Å; V233-T291 HydrophobicContact CG1-CG2 3.97Å; V233-T291 HydrophobicContact CG2-CG2 4.39Å
234	R	98.1	Very high	94.3	Very high	63 Å²	63	21.6 Å²	21.6	24%	0.238	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-40.8	178.2	-174.9	-174.8	-53	-74.2	1.3	112.4	T232 L237 S238 V258 N259 I262 A271 D272	T232-R234 VanDerWaalsContact C-N 3.32Å; T232-R234 PolarHBondContact O-N 3Å; R234-L237 PolarHBondContact O-N 3.03Å; R234-S238 VanDerWaalsContact O-CB 3.22Å; R234-S238 WeakPolarHBondContact O-CB 3.43Å; R234-S238 PolarHBondContact O-N 2.92Å; R234-S238 PolarHBondContact O-OG 2.9Å; R234-V258 HydrophobicContact CG-CG1 4.12Å; R234-N259 PolarHBondContact NH1-OD1 2.69Å; R234-I262 HydrophobicContact CB-CD1 4.16Å; R234-I262 HydrophobicContact CG-CD1 4.18Å; R234-A271 VanDerWaalsContact CB-O 3.23Å; R234-A271 WeakPolarHBondContact CB-O 3.16Å; R234-A271 PolarHBondContact N-O 2.72Å; R234-D272 WeakPolarHBondContact CD-OD1 3.5Å; R234-D272 IonicContact CZ-OD1 3.53Å; R234-D272 IonicContact CZ-OD2 3.59Å; R234-D272 IonicContact NE-OD1 2.73Å; R234-D272 PolarHBondContact NE-OD1 3.35Å; R234-D272 IonicContact NE-OD2 2.72Å; R234-D272 PolarHBondContact NE-OD2 2.79Å; R234-D272 IonicContact NH2-OD1 2.67Å; R234-D272 IonicContact NH2-OD2 3.72Å; R234-D272 PolarHBondContact NH2-OD2 3.12Å
235	E	97.4	Very high	94.3	Very high	52 Å²	52	16.6 Å²	16.6	24%	0.243	9%	0.087	C	C	.	.	H	α-helix	trans	-67.1	-40.8	179.8	-75.1	169.4	160.8	0	0	112.3	L231 T232 V233 S238 F239 R493	L231-E235 WeakPolarHBondContact CA-OE2 3.43Å; L231-E235 HydrophobicContact CB-CB 4.06Å; L231-E235 HydrophobicContact CD2-CB 4.02Å; L231-E235 WeakPolarHBondContact CD2-OE2 3.24Å; T232-E235 PolarHBondContact N-OE2 3.19Å; T232-E235 PolarHBondContact O-N 3.42Å; T232-E235 WeakPolarHBondContact OG1-CB 3.46Å; T232-E235 VanDerWaalsContact OG1-CG 3.22Å; T232-E235 WeakPolarHBondContact OG1-CG 3.42Å; T232-E235 PolarHBondContact OG1-N 3.12Å; T232-E235 VanDerWaalsContact OG1-N 3.13Å; T232-E235 PolarHBondContact OG1-OE2 3.3Å; V233-E235 VanDerWaalsContact C-N 3.34Å; V233-E235 PolarHBondContact O-N 2.98Å; E235-S238 PolarHBondContact O-N 3.33Å; E235-F239 WeakPolarHBondContact O-CB 3.44Å; E235-F239 PolarHBondContact O-N 2.83Å; E235-R493 IonicContact OE1-CZ 3.29Å; E235-R493 IonicContact OE1-NH1 2.75Å; E235-R493 PolarHBondContact OE1-NH1 3.34Å; E235-R493 IonicContact OE1-NH2 3.94Å; E235-R493 PolarHBondContact OE1-NH2 2.84Å; E235-R493 IonicContact OE2-CZ 2.68Å; E235-R493 IonicContact OE2-NH1 3.25Å; E235-R493 PolarHBondContact OE2-NH1 3.43Å; E235-R493 IonicContact OE2-NH2 2.79Å
236	N	97.4	Very high	93.9	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-46.5	174.1	-81.8	-75.2	0	0	0	111.1	V227 M228 L231 T232 V233 F239 S240 T291 M295	V227-N236 HydrophobicContact CG1-CB 4.15Å; V227-N236 WeakPolarHBondContact CG1-OD1 3.3Å; M228-N236 PolarHBondContact N-OD1 2.89Å; M228-N236 PolarHBondContact O-ND2 3.17Å; L231-N236 WeakPolarHBondContact CB-ND2 3.15Å; T232-N236 PolarHBondContact O-N 2.92Å; T232-N236 PolarHBondContact O-ND2 2.87Å; V233-N236 PolarHBondContact O-N 3.16Å; N236-F239 PolarHBondContact O-N 3.05Å; N236-S240 PolarHBondContact O-N 3.09Å; N236-S240 VanDerWaalsContact O-N 3.07Å; N236-T291 HydrophobicContact CB-CG2 4.46Å; N236-M295 HydrophobicContact CB-SD 3.96Å
237	L	97.2	Very high	93.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-42.5	176	-66.2	176	0	0	0	112.2	V233 R234 F239 S240 A241 V258 I261 I262 M295 I298	V233-L237 HydrophobicContact CG1-CD1 4.23Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 2.84Å; V233-L237 VanDerWaalsContact O-N 3.09Å; R234-L237 PolarHBondContact O-N 3.03Å; L237-F239 VanDerWaalsContact C-N 3.3Å; L237-F239 PolarHBondContact O-N 2.64Å; L237-S240 PolarHBondContact O-N 3.18Å; L237-A241 WeakPolarHBondContact O-CB 3.49Å; L237-A241 PolarHBondContact O-N 3.03Å; L237-V258 HydrophobicContact CB-CG1 3.77Å; L237-V258 HydrophobicContact CB-CG2 4.31Å; L237-V258 HydrophobicContact CD1-CG1 4.38Å; L237-I261 HydrophobicContact CD1-CG2 4.37Å; L237-I261 HydrophobicContact CD2-CG2 4.37Å; L237-I262 HydrophobicContact CD1-CD1 4.07Å; L237-I262 HydrophobicContact CD1-CG1 3.43Å; L237-I262 VanDerWaalsContact CD1-CG1 3.43Å; L237-M295 HydrophobicContact CD2-CG 3.97Å; L237-M295 VanDerWaalsContact CD2-N 3.33Å; L237-I298 HydrophobicContact CB-CD1 4.42Å
238	S	96.6	Very high	92.6	Very high	35 Å²	35	27.9 Å²	27.9	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-34.3	177.9	-60	0	0	0	0	112.3	R234 E235 A242	R234-S238 VanDerWaalsContact O-CB 3.22Å; R234-S238 WeakPolarHBondContact O-CB 3.43Å; R234-S238 PolarHBondContact O-N 2.92Å; R234-S238 PolarHBondContact O-OG 2.9Å; E235-S238 PolarHBondContact O-N 3.33Å; S238-A242 VanDerWaalsContact O-CB 3.25Å; S238-A242 WeakPolarHBondContact O-CB 3.35Å; S238-A242 PolarHBondContact O-N 2.98Å
239	F	96	Very high	92.2	Very high	16 Å²	16	31.7 Å²	31.7	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-47.4	173.4	178.8	-96.6	0	0	0	111	E235 N236 L237 A241 A242 L243 K482 V483 R486 Y567 Y568	E235-F239 WeakPolarHBondContact O-CB 3.44Å; E235-F239 PolarHBondContact O-N 2.83Å; N236-F239 PolarHBondContact O-N 3.05Å; L237-F239 VanDerWaalsContact C-N 3.3Å; L237-F239 PolarHBondContact O-N 2.64Å; F239-A241 PolarHBondContact O-N 3.3Å; F239-A242 PolarHBondContact O-N 3.25Å; F239-L243 HydrophobicContact CD1-CD1 4.28Å; F239-L243 HydrophobicContact CD2-CD1 4.35Å; F239-L243 HydrophobicContact CE1-CD1 3.6Å; F239-L243 HydrophobicContact CE2-CD1 3.7Å; F239-L243 HydrophobicContact CE2-CG 4.5Å; F239-L243 HydrophobicContact CZ-CD1 3.28Å; F239-L243 HydrophobicContact CZ-CG 4.43Å; F239-L243 PolarHBondContact O-N 2.88Å; F239-K482 HydrophobicContact CE2-CB 4.48Å; F239-V483 HydrophobicContact CE2-CG2 4.17Å; F239-V483 HydrophobicContact CZ-CG2 4.04Å; F239-R486 HydrophobicContact CD2-CB 4.26Å; F239-R486 HydrophobicContact CD2-CG 4.45Å; F239-R486 VanDerWaalsContact CE1-CZ 3.42Å; F239-R486 HydrophobicContact CE2-CB 4.09Å; F239-R486 HydrophobicContact CE2-CG 4.46Å; F239-R486 VanDerWaalsContact CZ-NH1 3.34Å; F239-Y567 HydrophobicContact CD1-CD1 4.18Å; F239-Y567 HydrophobicContact CD1-CE1 4.25Å; F239-Y567 AromaticContact CE1-CD1 3.84Å; F239-Y567 HydrophobicContact CE1-CD1 3.84Å; F239-Y567 HydrophobicContact CE1-CE1 4.3Å; F239-Y568 HydrophobicContact CZ-CD1 4.38Å; F239-Y568 HydrophobicContact CZ-CE1 4.19Å
240	S	94.8	Very high	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-48	173.2	-177.4	0	0	0	0	111.6	N236 L237 A242 L243 R244 M295 Y567	N236-S240 PolarHBondContact O-N 3.09Å; N236-S240 VanDerWaalsContact O-N 3.07Å; L237-S240 PolarHBondContact O-N 3.18Å; S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 3.27Å; S240-L243 PolarHBondContact O-N 3.06Å; S240-R244 WeakPolarHBondContact O-CB 3.44Å; S240-R244 PolarHBondContact O-N 3.06Å; S240-M295 PolarHBondContact OG-O 2.99Å; S240-Y567 PolarHBondContact OG-OH 3.41Å
241	A	94.6	Very high	92	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-43.2	176.9	0	0	0	0	0	112.5	L237 F239 L243 M245 R254 V258 I298	L237-A241 WeakPolarHBondContact O-CB 3.49Å; L237-A241 PolarHBondContact O-N 3.03Å; F239-A241 PolarHBondContact O-N 3.3Å; A241-L243 PolarHBondContact O-N 2.92Å; A241-M245 HydrophobicContact CB-CG 4.5Å; A241-M245 HydrophobicContact CB-SD 3.8Å; A241-M245 VanDerWaalsContact O-CB 3.31Å; A241-M245 WeakPolarHBondContact O-CB 3.19Å; A241-M245 WeakPolarHBondContact O-CG 3.43Å; A241-M245 PolarHBondContact O-N 3.39Å; A241-R254 HydrophobicContact CB-CB 4.4Å; A241-V258 HydrophobicContact CB-CG2 3.76Å; A241-I298 VanDerWaalsContact CA-CG2 3.45Å; A241-I298 HydrophobicContact CB-CD1 4.1Å; A241-I298 HydrophobicContact CB-CG2 3.97Å
242	A	93.7	Very high	91.9	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-23.6	-176.6	0	0	0	0	0	113.7	S238 F239 S240 R478 K482	S238-A242 VanDerWaalsContact O-CB 3.25Å; S238-A242 WeakPolarHBondContact O-CB 3.35Å; S238-A242 PolarHBondContact O-N 2.98Å; F239-A242 PolarHBondContact O-N 3.25Å; S240-A242 VanDerWaalsContact C-N 3.32Å; S240-A242 PolarHBondContact O-N 3.27Å; A242-R478 PolarHBondContact O-NE 3Å; A242-K482 HydrophobicContact CB-CD 3.91Å; A242-K482 HydrophobicContact CB-CG 3.98Å
243	L	92.9	Very high	91.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-107.4	-32.8	-173.6	-66.7	-171.2	0	0	0	114	F239 S240 A241 A474 Q479 K482 V483 Y567 Y568	F239-L243 HydrophobicContact CD1-CD1 4.28Å; F239-L243 HydrophobicContact CD2-CD1 4.35Å; F239-L243 HydrophobicContact CE1-CD1 3.6Å; F239-L243 HydrophobicContact CE2-CD1 3.7Å; F239-L243 HydrophobicContact CE2-CG 4.5Å; F239-L243 HydrophobicContact CZ-CD1 3.28Å; F239-L243 HydrophobicContact CZ-CG 4.43Å; F239-L243 PolarHBondContact O-N 2.88Å; S240-L243 PolarHBondContact O-N 3.06Å; A241-L243 PolarHBondContact O-N 2.92Å; L243-A474 HydrophobicContact CD2-CB 4.4Å; L243-A474 WeakPolarHBondContact O-CB 3.35Å; L243-A474 PolarHBondContact O-N 2.92Å; L243-Q479 HydrophobicContact CD2-CB 4.23Å; L243-Q479 HydrophobicContact CD2-CG 4.14Å; L243-K482 HydrophobicContact CD2-CB 3.99Å; L243-K482 HydrophobicContact CD2-CG 4.5Å; L243-V483 HydrophobicContact CD1-CG2 4.24Å; L243-Y567 HydrophobicContact CB-CD1 4.42Å; L243-Y567 WeakPolarHBondContact CB-O 3.37Å; L243-Y567 HydrophobicContact CD1-CD1 4.2Å; L243-Y568 HydrophobicContact CD1-CD1 3.87Å
244	R	91.5	Very high	91.6	Very high	16 Å²	16	48.6 Å²	48.6	6%	0.06	24%	0.241	C	C	.	.	H	α-helix	trans	-103.3	-19.9	-173.2	-63.1	174	65.9	175.5	6.4	114.3	S240 M295 E296 T299 A473 Y567	S240-R244 WeakPolarHBondContact O-CB 3.44Å; S240-R244 PolarHBondContact O-N 3.06Å; R244-M295 PolarHBondContact NH1-O 2.86Å; R244-E296 IonicContact CZ-OE1 3.35Å; R244-E296 IonicContact CZ-OE2 3.59Å; R244-E296 IonicContact NH1-OE1 3.29Å; R244-E296 PolarHBondContact NH1-OE1 3.24Å; R244-E296 IonicContact NH1-OE2 3.93Å; R244-E296 PolarHBondContact NH1-OE2 3.41Å; R244-E296 VanDerWaalsContact NH1-OE2 3.16Å; R244-E296 IonicContact NH2-OE1 3.77Å; R244-E296 IonicContact NH2-OE2 2.95Å; R244-E296 PolarHBondContact NH2-OE2 3.03Å; R244-T299 HydrophobicContact CB-CG2 3.51Å; R244-T299 HydrophobicContact CG-CG2 4.43Å; R244-A473 WeakPolarHBondContact O-CB 3.35Å; R244-Y567 HydrophobicContact CG-CD1 4.29Å; R244-Y567 HydrophobicContact CG-CD2 4.36Å; R244-Y567 HydrophobicContact CG-CE1 4.46Å; R244-Y567 HydrophobicContact CG-CG 4.24Å; R244-Y567 PolarHBondContact NH1-OH 3.19Å; R244-Y567 VanDerWaalsContact NH1-OH 3.1Å
245	M	88.6	Confident	91.4	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	25%	0.246	C	C	.	.	S	Bend	trans	-79.1	143.1	172.6	-62.6	178.6	68.9	0	0	110.6	A241 Y249 R254 K257 I298	A241-M245 HydrophobicContact CB-CG 4.5Å; A241-M245 HydrophobicContact CB-SD 3.8Å; A241-M245 VanDerWaalsContact O-CB 3.31Å; A241-M245 WeakPolarHBondContact O-CB 3.19Å; A241-M245 WeakPolarHBondContact O-CG 3.43Å; A241-M245 PolarHBondContact O-N 3.39Å; M245-Y249 HydrophobicContact CB-CD2 4.32Å; M245-Y249 HydrophobicContact CE-CD1 3.87Å; M245-Y249 HydrophobicContact CE-CD2 3.99Å; M245-Y249 HydrophobicContact CE-CE1 4.08Å; M245-Y249 HydrophobicContact CE-CE2 4.2Å; M245-Y249 HydrophobicContact CE-CG 3.81Å; M245-R254 HydrophobicContact CB-CG 4.48Å; M245-R254 HydrophobicContact CE-CG 4.07Å; M245-R254 HydrophobicContact SD-CB 4.26Å; M245-R254 HydrophobicContact SD-CG 3.79Å; M245-K257 HydrophobicContact CE-CB 3.97Å; M245-K257 HydrophobicContact CE-CG 3.81Å; M245-K257 HydrophobicContact SD-CB 4.19Å; M245-K257 HydrophobicContact SD-CG 3.94Å; M245-I298 HydrophobicContact CG-CG2 3.8Å; M245-I298 HydrophobicContact SD-CG2 4.09Å
246	T	80.7	Confident	91.4	Very high	62 Å²	62	50.4 Å²	50.4	38%	0.38	25%	0.254	S	S	.	.			trans	-61.2	162.6	-177.4	64.9	0	0	0	0	112.4	H248 Y249 R254	T246-H248 PolarHBondContact O-N 3.2Å; T246-Y249 WeakPolarHBondContact OG1-CD2 3.34Å; T246-Y249 WeakPolarHBondContact OG1-CE2 3.48Å; T246-R254 PolarHBondContact O-NH2 3.29Å
247	M	74.6	Confident	91.2	Very high	83 Å²	83	51.3 Å²	51.3	41%	0.409	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.1	-179.5	-79.1	-70.8	145.6	0	0	114.4	Y249 A474 R478	M247-Y249 PolarHBondContact O-N 2.95Å; M247-A474 HydrophobicContact CE-CB 4.02Å; M247-R478 HydrophobicContact CE-CB 4.41Å
248	H	81.2	Confident	91.2	Very high	174 Å²	174	51.3 Å²	51.3	81%	0.806	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-25	-175.5	-61.5	-62.7	0	0	0	113.8	T246	T246-H248 PolarHBondContact O-N 3.2Å
249	Y	85.6	Confident	91.3	Very high	100 Å²	100	52.2 Å²	52.2	39%	0.392	26%	0.26	S	S	.	.	S	Bend	trans	-71.8	141.7	176.8	-67.3	-84.8	0	0	0	111.5	M245 T246 M247 E253 R254	M245-Y249 HydrophobicContact CB-CD2 4.32Å; M245-Y249 HydrophobicContact CE-CD1 3.87Å; M245-Y249 HydrophobicContact CE-CD2 3.99Å; M245-Y249 HydrophobicContact CE-CE1 4.08Å; M245-Y249 HydrophobicContact CE-CE2 4.2Å; M245-Y249 HydrophobicContact CE-CG 3.81Å; T246-Y249 WeakPolarHBondContact OG1-CD2 3.34Å; T246-Y249 WeakPolarHBondContact OG1-CE2 3.48Å; M247-Y249 PolarHBondContact O-N 2.95Å; Y249-E253 VanDerWaalsContact CA-OE2 3.23Å; Y249-E253 WeakPolarHBondContact CA-OE2 3.29Å; Y249-E253 HydrophobicContact CD1-CB 4.08Å; Y249-R254 PolarHBondContact O-NH1 2.92Å; Y249-R254 PolarHBondContact O-NH2 2.98Å
250	T	91	Very high	91.3	Very high	74 Å²	74	52.3 Å²	52.3	45%	0.454	26%	0.261	S	S	.	.			trans	-74.5	170.8	168.4	67.5	0	0	0	0	111	E252 E253 R254	T250-E252 VanDerWaalsContact C-N 3.28Å; T250-E253 PolarHBondContact N-OE2 3.33Å; T250-E253 VanDerWaalsContact OG1-CG 3.28Å; T250-E253 WeakPolarHBondContact OG1-CG 3.17Å; T250-E253 PolarHBondContact OG1-N 2.95Å; T250-E253 VanDerWaalsContact OG1-N 3.14Å; T250-E253 PolarHBondContact OG1-OE2 3Å; T250-R254 VanDerWaalsContact C-NH1 3.28Å; T250-R254 WeakPolarHBondContact O-CG 3.4Å; T250-R254 PolarHBondContact O-N 2.87Å; T250-R254 PolarHBondContact O-NH1 3.04Å
251	T	89.7	Confident	91.3	Very high	94 Å²	94	52.3 Å²	52.3	58%	0.577	26%	0.261	S	S	*	.	H	α-helix	trans	-65.1	-38.2	173.5	-57.2	0	0	0	0	110.7	R254 N255	T251-R254 PolarHBondContact O-N 3.18Å; T251-N255 PolarHBondContact O-N 3.15Å
252	E	93.3	Very high	91.4	Very high	127 Å²	127	52.2 Å²	52.2	59%	0.593	26%	0.261	S	S	*	.	H	α-helix	trans	-67.4	-43.9	-178.6	-165.6	56.5	-153.3	0	0	111.9	T250 R254 N255 Q256	T250-E252 VanDerWaalsContact C-N 3.28Å; E252-R254 PolarHBondContact O-N 3.49Å; E252-N255 PolarHBondContact O-N 2.91Å; E252-N255 VanDerWaalsContact O-N 3.1Å; E252-Q256 PolarHBondContact O-N 3.11Å
253	E	94.2	Very high	91.5	Very high	97 Å²	97	56.2 Å²	56.2	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-34.6	174.8	-71.9	168	162.8	0	0	112.4	Y249 T250 K257	Y249-E253 VanDerWaalsContact CA-OE2 3.23Å; Y249-E253 WeakPolarHBondContact CA-OE2 3.29Å; Y249-E253 HydrophobicContact CD1-CB 4.08Å; T250-E253 PolarHBondContact N-OE2 3.33Å; T250-E253 VanDerWaalsContact OG1-CG 3.28Å; T250-E253 WeakPolarHBondContact OG1-CG 3.17Å; T250-E253 PolarHBondContact OG1-N 2.95Å; T250-E253 VanDerWaalsContact OG1-N 3.14Å; T250-E253 PolarHBondContact OG1-OE2 3Å; E253-K257 VanDerWaalsContact O-CB 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.48Å; E253-K257 PolarHBondContact O-N 3.26Å
254	R	93.9	Very high	91.4	Very high	8 Å²	8	57.8 Å²	57.8	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-41.6	174.4	-70.1	-174.2	-169.4	81.8	6.8	111.7	A241 M245 T246 Y249 T250 T251 E252 K257 V258 R478	A241-R254 HydrophobicContact CB-CB 4.4Å; M245-R254 HydrophobicContact CB-CG 4.48Å; M245-R254 HydrophobicContact CE-CG 4.07Å; M245-R254 HydrophobicContact SD-CB 4.26Å; M245-R254 HydrophobicContact SD-CG 3.79Å; T246-R254 PolarHBondContact O-NH2 3.29Å; Y249-R254 PolarHBondContact O-NH1 2.92Å; Y249-R254 PolarHBondContact O-NH2 2.98Å; T250-R254 VanDerWaalsContact C-NH1 3.28Å; T250-R254 WeakPolarHBondContact O-CG 3.4Å; T250-R254 PolarHBondContact O-N 2.87Å; T250-R254 PolarHBondContact O-NH1 3.04Å; T251-R254 PolarHBondContact O-N 3.18Å; E252-R254 PolarHBondContact O-N 3.49Å; R254-K257 WeakPolarHBondContact O-CB 3.26Å; R254-K257 PolarHBondContact O-N 2.82Å; R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 3.36Å; R254-R478 VanDerWaalsContact CD-NH2 3.27Å; R254-R478 VanDerWaalsContact CZ-CZ 3.47Å; R254-R478 VanDerWaalsContact NH1-NH2 3.18Å; R254-R478 VanDerWaalsContact NH2-NH1 3.14Å
255	N	95.6	Very high	91.5	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.8	-68	-17.9	0	0	0	111	T251 E252 K257 V258 N259	T251-N255 PolarHBondContact O-N 3.15Å; E252-N255 PolarHBondContact O-N 2.91Å; E252-N255 VanDerWaalsContact O-N 3.1Å; N255-K257 VanDerWaalsContact C-N 3.31Å; N255-K257 PolarHBondContact O-N 3.24Å; N255-V258 WeakPolarHBondContact O-CB 3.45Å; N255-V258 PolarHBondContact O-N 2.97Å; N255-V258 VanDerWaalsContact O-N 3.15Å; N255-N259 PolarHBondContact O-N 2.95Å; N255-N259 PolarHBondContact O-ND2 2.84Å
256	Q	96	Very high	91.8	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-45.4	173.9	-172.5	57.8	37.5	0	0	110.7	E252 V258 N259 D260	E252-Q256 PolarHBondContact O-N 3.11Å; Q256-V258 VanDerWaalsContact C-N 3.26Å; Q256-V258 PolarHBondContact O-N 3.25Å; Q256-N259 WeakPolarHBondContact O-CB 3.49Å; Q256-N259 PolarHBondContact O-N 3.35Å; Q256-N259 VanDerWaalsContact O-N 3.1Å; Q256-D260 PolarHBondContact NE2-OD1 3.05Å; Q256-D260 PolarHBondContact O-N 2.95Å
257	K	94.5	Very high	92.5	Very high	21 Å²	21	55.9 Å²	55.9	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-37	176.1	-175.2	62.2	-178.1	166.9	0	112.9	M245 E253 R254 N255 D260 I261 E300	M245-K257 HydrophobicContact CE-CB 3.97Å; M245-K257 HydrophobicContact CE-CG 3.81Å; M245-K257 HydrophobicContact SD-CB 4.19Å; M245-K257 HydrophobicContact SD-CG 3.94Å; E253-K257 VanDerWaalsContact O-CB 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.48Å; E253-K257 PolarHBondContact O-N 3.26Å; R254-K257 WeakPolarHBondContact O-CB 3.26Å; R254-K257 PolarHBondContact O-N 2.82Å; N255-K257 VanDerWaalsContact C-N 3.31Å; N255-K257 PolarHBondContact O-N 3.24Å; K257-D260 WeakPolarHBondContact CA-OD2 3.33Å; K257-I261 WeakPolarHBondContact O-CG1 3.35Å; K257-I261 PolarHBondContact O-N 3.43Å; K257-E300 WeakPolarHBondContact CE-OE1 3.1Å; K257-E300 VanDerWaalsContact NZ-CD 3.33Å; K257-E300 VanDerWaalsContact NZ-CG 3.33Å; K257-E300 IonicContact NZ-OE1 3.39Å; K257-E300 PolarHBondContact NZ-OE1 2.86Å
258	V	97.2	Very high	93.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-47.4	174.2	168.9	0	0	0	0	110.7	R234 L237 A241 R254 N255 Q256 D260 I261 I262 I298	R234-V258 HydrophobicContact CG-CG1 4.12Å; L237-V258 HydrophobicContact CB-CG1 3.77Å; L237-V258 HydrophobicContact CB-CG2 4.31Å; L237-V258 HydrophobicContact CD1-CG1 4.38Å; A241-V258 HydrophobicContact CB-CG2 3.76Å; R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 3.36Å; N255-V258 WeakPolarHBondContact O-CB 3.45Å; N255-V258 PolarHBondContact O-N 2.97Å; N255-V258 VanDerWaalsContact O-N 3.15Å; Q256-V258 VanDerWaalsContact C-N 3.26Å; Q256-V258 PolarHBondContact O-N 3.25Å; V258-D260 VanDerWaalsContact C-N 3.3Å; V258-D260 PolarHBondContact O-N 2.88Å; V258-I261 PolarHBondContact O-N 3.09Å; V258-I262 HydrophobicContact CG1-CD1 3.8Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3Å; V258-I298 HydrophobicContact CG2-CD1 3.98Å
259	N	97.6	Very high	94.3	Very high	53 Å²	53	52.7 Å²	52.7	28%	0.283	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-45.2	177.2	-66.4	-24.4	0	0	0	111.3	R234 N255 Q256 I261 I262 D263	R234-N259 PolarHBondContact NH1-OD1 2.69Å; N255-N259 PolarHBondContact O-N 2.95Å; N255-N259 PolarHBondContact O-ND2 2.84Å; Q256-N259 WeakPolarHBondContact O-CB 3.49Å; Q256-N259 PolarHBondContact O-N 3.35Å; Q256-N259 VanDerWaalsContact O-N 3.1Å; N259-I261 VanDerWaalsContact C-N 3.26Å; N259-I261 PolarHBondContact O-N 2.98Å; N259-I262 WeakPolarHBondContact O-CB 3.28Å; N259-I262 PolarHBondContact O-N 3.05Å; N259-I262 VanDerWaalsContact O-N 3.11Å; N259-D263 PolarHBondContact O-N 3.23Å
260	D	95.2	Very high	94.9	Very high	18 Å²	18	48.8 Å²	48.8	10%	0.096	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-39.4	178.1	-62.4	-45.7	0	0	0	113.2	R128 Q256 K257 V258 E264	R128-D260 IonicContact CZ-OD1 2.77Å; R128-D260 VanDerWaalsContact CZ-OD1 3.29Å; R128-D260 IonicContact CZ-OD2 2.68Å; R128-D260 VanDerWaalsContact CZ-OD2 3.26Å; R128-D260 VanDerWaalsContact NH1-CB 3.3Å; R128-D260 IonicContact NH1-OD1 3.29Å; R128-D260 PolarHBondContact NH1-OD1 3.23Å; R128-D260 IonicContact NH1-OD2 3.26Å; R128-D260 PolarHBondContact NH1-OD2 3.26Å; R128-D260 IonicContact NH2-OD1 2.73Å; R128-D260 PolarHBondContact NH2-OD1 2.89Å; R128-D260 IonicContact NH2-OD2 3.76Å; R128-D260 PolarHBondContact NH2-OD2 2.9Å; Q256-D260 PolarHBondContact NE2-OD1 3.05Å; Q256-D260 PolarHBondContact O-N 2.95Å; K257-D260 WeakPolarHBondContact CA-OD2 3.33Å; V258-D260 VanDerWaalsContact C-N 3.3Å; V258-D260 PolarHBondContact O-N 2.88Å; D260-E264 VanDerWaalsContact O-CB 3.24Å; D260-E264 WeakPolarHBondContact O-CB 3.41Å; D260-E264 PolarHBondContact O-N 3.11Å
261	I	95.4	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-74.4	-37.5	179.1	-73.7	175.6	0	0	0	110.8	L237 K257 V258 N259 D263 E264 L265 L297 I298	L237-I261 HydrophobicContact CD1-CG2 4.37Å; L237-I261 HydrophobicContact CD2-CG2 4.37Å; K257-I261 WeakPolarHBondContact O-CG1 3.35Å; K257-I261 PolarHBondContact O-N 3.43Å; V258-I261 PolarHBondContact O-N 3.09Å; N259-I261 VanDerWaalsContact C-N 3.26Å; N259-I261 PolarHBondContact O-N 2.98Å; I261-D263 VanDerWaalsContact C-N 3.3Å; I261-D263 PolarHBondContact O-N 2.83Å; I261-E264 PolarHBondContact O-N 3.24Å; I261-L265 HydrophobicContact CG2-CD1 3.65Å; I261-L265 HydrophobicContact CG2-CG 4.31Å; I261-L265 WeakPolarHBondContact O-CB 3.42Å; I261-L265 VanDerWaalsContact O-CG 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.31Å; I261-L265 PolarHBondContact O-N 2.82Å; I261-L297 HydrophobicContact CD1-CB 4.22Å; I261-I298 VanDerWaalsContact CD1-CA 3.44Å; I261-I298 HydrophobicContact CD1-CB 4.26Å; I261-I298 HydrophobicContact CD1-CD1 3.56Å; I261-I298 HydrophobicContact CD1-CG1 3.83Å
262	I	97.2	Very high	95.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-44.6	174.2	-68.2	168.5	0	0	0	109.9	R234 L237 V258 N259 G266 L267 N268 A271	R234-I262 HydrophobicContact CB-CD1 4.16Å; R234-I262 HydrophobicContact CG-CD1 4.18Å; L237-I262 HydrophobicContact CD1-CD1 4.07Å; L237-I262 HydrophobicContact CD1-CG1 3.43Å; L237-I262 VanDerWaalsContact CD1-CG1 3.43Å; V258-I262 HydrophobicContact CG1-CD1 3.8Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3Å; N259-I262 WeakPolarHBondContact O-CB 3.28Å; N259-I262 PolarHBondContact O-N 3.05Å; N259-I262 VanDerWaalsContact O-N 3.11Å; I262-G266 PolarHBondContact O-N 2.99Å; I262-G266 VanDerWaalsContact O-N 3.11Å; I262-L267 HydrophobicContact CG2-CB 3.97Å; I262-L267 PolarHBondContact O-N 3.09Å; I262-N268 VanDerWaalsContact CG2-OD1 3.31Å; I262-N268 WeakPolarHBondContact CG2-OD1 3.45Å; I262-A271 HydrophobicContact CD1-CB 4.14Å; I262-A271 HydrophobicContact CG2-CB 3.87Å
263	D	95.2	Very high	95.7	Very high	87 Å²	87	42.3 Å²	42.3	47%	0.465	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-49.8	174.8	-74	-37.9	0	0	0	111.6	N259 I261 L265 G266 N268	N259-D263 PolarHBondContact O-N 3.23Å; I261-D263 VanDerWaalsContact C-N 3.3Å; I261-D263 PolarHBondContact O-N 2.83Å; D263-L265 PolarHBondContact O-N 2.89Å; D263-G266 PolarHBondContact O-N 3.14Å; D263-N268 VanDerWaalsContact OD1-CG 3.22Å; D263-N268 PolarHBondContact OD1-ND2 2.96Å; D263-N268 PolarHBondContact OD1-OD1 3.39Å
264	E	91.5	Very high	95.8	Very high	33 Å²	33	42.4 Å²	42.4	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-31.3	-178	-177	169.7	-160.8	0	0	112.9	D260 I261 L328 R331	D260-E264 VanDerWaalsContact O-CB 3.24Å; D260-E264 WeakPolarHBondContact O-CB 3.41Å; D260-E264 PolarHBondContact O-N 3.11Å; I261-E264 PolarHBondContact O-N 3.24Å; E264-L328 VanDerWaalsContact CD-CD2 3.44Å; E264-L328 HydrophobicContact CG-CD2 3.71Å; E264-L328 WeakPolarHBondContact OE1-CD2 3.42Å; E264-R331 VanDerWaalsContact OE1-CD 3.26Å; E264-R331 WeakPolarHBondContact OE1-CD 3.39Å; E264-R331 IonicContact OE1-CZ 3.88Å; E264-R331 IonicContact OE1-NE 2.74Å; E264-R331 PolarHBondContact OE1-NE 3.27Å; E264-R331 IonicContact OE1-NH1 2.56Å; E264-R331 PolarHBondContact OE1-NH1 3.33Å; E264-R331 IonicContact OE2-NH1 2.66Å; E264-R331 PolarHBondContact OE2-NH1 2.92Å
265	L	94.2	Very high	96	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-4.4	178.2	-64.3	173.5	0	0	0	113.7	I261 D263 L267 R290 I293 L297 T324 L328	I261-L265 HydrophobicContact CG2-CD1 3.65Å; I261-L265 HydrophobicContact CG2-CG 4.31Å; I261-L265 WeakPolarHBondContact O-CB 3.42Å; I261-L265 VanDerWaalsContact O-CG 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.31Å; I261-L265 PolarHBondContact O-N 2.82Å; D263-L265 PolarHBondContact O-N 2.89Å; L265-L267 HydrophobicContact CB-CD1 3.88Å; L265-L267 HydrophobicContact CB-CG 3.94Å; L265-L267 HydrophobicContact CD1-CD1 4.06Å; L265-R290 WeakPolarHBondContact CD1-O 3.33Å; L265-R290 WeakPolarHBondContact O-CD 3.23Å; L265-R290 PolarHBondContact O-NH1 2.68Å; L265-I293 HydrophobicContact CD2-CG2 4.3Å; L265-L297 HydrophobicContact CD1-CD1 4.4Å; L265-L297 HydrophobicContact CD2-CD1 3.9Å; L265-L297 HydrophobicContact CG-CD1 4.43Å; L265-T324 HydrophobicContact CD2-CG2 3.5Å; L265-L328 HydrophobicContact CD2-CD1 4.31Å
266	G	93.9	Very high	95.8	Very high	47 Å²	47	39.7 Å²	39.7	49%	0.485	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	46.6	-176.1	0	0	0	0	0	112.5	I262 D263 R290	I262-G266 PolarHBondContact O-N 2.99Å; I262-G266 VanDerWaalsContact O-N 3.11Å; D263-G266 PolarHBondContact O-N 3.14Å; G266-R290 PolarHBondContact O-NH1 3.2Å
267	L	96.4	Very high	95.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.233	C	C	.	.			trans	-106.6	8	-179.1	-68.6	174.8	0	0	0	113.4	V233 I262 L265 A269 V270 A271 E287 R290	V233-L267 HydrophobicContact CG1-CB 4.44Å; V233-L267 HydrophobicContact CG1-CD1 4.01Å; I262-L267 HydrophobicContact CG2-CB 3.97Å; I262-L267 PolarHBondContact O-N 3.09Å; L265-L267 HydrophobicContact CB-CD1 3.88Å; L265-L267 HydrophobicContact CB-CG 3.94Å; L265-L267 HydrophobicContact CD1-CD1 4.06Å; L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 2.86Å; L267-V270 HydrophobicContact CB-CG2 4.36Å; L267-V270 HydrophobicContact CD2-CG2 3.95Å; L267-V270 CarbonylContact O-C 3.6Å; L267-V270 WeakPolarHBondContact O-CG2 3.43Å; L267-V270 PolarHBondContact O-N 2.86Å; L267-A271 PolarHBondContact O-N 2.96Å; L267-E287 HydrophobicContact CD2-CB 4.14Å; L267-E287 HydrophobicContact CD2-CG 4.19Å; L267-R290 HydrophobicContact CD1-CB 4.14Å; L267-R290 HydrophobicContact CD2-CB 4.01Å; L267-R290 HydrophobicContact CG-CB 4.33Å
268	N	96.7	Very high	94.8	Very high	89 Å²	89	47 Å²	47	48%	0.476	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.8	-43.5	-175.6	-74.2	-41.8	0	0	0	114.3	I262 D263 V270 A271	I262-N268 VanDerWaalsContact CG2-OD1 3.31Å; I262-N268 WeakPolarHBondContact CG2-OD1 3.45Å; D263-N268 VanDerWaalsContact OD1-CG 3.22Å; D263-N268 PolarHBondContact OD1-ND2 2.96Å; D263-N268 PolarHBondContact OD1-OD1 3.39Å; N268-V270 PolarHBondContact O-N 3.24Å; N268-A271 PolarHBondContact O-N 3.45Å
269	A	96.7	Very high	93.9	Very high	101 Å²	101	55 Å²	55	84%	0.835	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-65.4	-23	-178.6	0	0	0	0	0	113.7	L267	L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 2.86Å
270	V	96.9	Very high	93.3	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.109	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-119.7	11.3	-176.3	-63.2	0	0	0	0	112.8	V233 L267 N268 D272 S273 V283 E287	V233-V270 HydrophobicContact CG2-CG2 4.49Å; V233-V270 WeakPolarHBondContact CG2-O 3.36Å; L267-V270 HydrophobicContact CB-CG2 4.36Å; L267-V270 HydrophobicContact CD2-CG2 3.95Å; L267-V270 CarbonylContact O-C 3.6Å; L267-V270 WeakPolarHBondContact O-CG2 3.43Å; L267-V270 PolarHBondContact O-N 2.86Å; N268-V270 PolarHBondContact O-N 3.24Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 2.76Å; V270-S273 WeakPolarHBondContact O-CB 3.25Å; V270-S273 PolarHBondContact O-N 2.92Å; V270-S273 VanDerWaalsContact O-N 3.09Å; V270-V283 HydrophobicContact CB-CG1 4Å; V270-V283 HydrophobicContact CG1-CG1 4.41Å; V270-V283 HydrophobicContact CG2-CG1 4.42Å; V270-E287 WeakPolarHBondContact CG1-OE1 3.23Å; V270-E287 HydrophobicContact CG2-CB 4.4Å; V270-E287 HydrophobicContact CG2-CG 4.19Å
271	A	97.4	Very high	93.1	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.008	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.8	-173.5	0	0	0	0	0	112.4	R234 I262 L267 N268	R234-A271 VanDerWaalsContact CB-O 3.23Å; R234-A271 WeakPolarHBondContact CB-O 3.16Å; R234-A271 PolarHBondContact N-O 2.72Å; I262-A271 HydrophobicContact CD1-CB 4.14Å; I262-A271 HydrophobicContact CG2-CB 3.87Å; L267-A271 PolarHBondContact O-N 2.96Å; N268-A271 PolarHBondContact O-N 3.45Å
272	D	97.6	Very high	93	Very high	104 Å²	104	68.8 Å²	68.8	56%	0.556	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	9.9	-177.9	-60.8	-63.8	0	0	0	112.7	T232 R234 V270	T232-D272 VanDerWaalsContact CG2-O 3.26Å; T232-D272 WeakPolarHBondContact CG2-O 3.31Å; R234-D272 WeakPolarHBondContact CD-OD1 3.5Å; R234-D272 IonicContact CZ-OD1 3.53Å; R234-D272 IonicContact CZ-OD2 3.59Å; R234-D272 IonicContact NE-OD1 2.73Å; R234-D272 PolarHBondContact NE-OD1 3.35Å; R234-D272 IonicContact NE-OD2 2.72Å; R234-D272 PolarHBondContact NE-OD2 2.79Å; R234-D272 IonicContact NH2-OD1 2.67Å; R234-D272 IonicContact NH2-OD2 3.72Å; R234-D272 PolarHBondContact NH2-OD2 3.12Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 2.76Å
273	S	97.1	Very high	92.9	Very high	54 Å²	54	69.6 Å²	69.6	38%	0.378	39%	0.387	S	S	.	.	S	Bend	trans	-85	141.1	172.8	-63.4	0	0	0	0	110.9	T232 V233 V270	T232-S273 WeakPolarHBondContact CA-O 3.5Å; T232-S273 WeakPolarHBondContact CB-O 3.14Å; V233-S273 PolarHBondContact N-O 3.38Å; V233-S273 VanDerWaalsContact N-O 3.16Å; V270-S273 WeakPolarHBondContact O-CB 3.25Å; V270-S273 PolarHBondContact O-N 2.92Å; V270-S273 VanDerWaalsContact O-N 3.09Å
274	K	96.5	Very high	92.8	Very high	99 Å²	99	67.5 Å²	67.5	43%	0.43	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-61.7	138	172.8	-70.1	-176.2	-178.3	177.6	0	110.3	G276 G282 V283	K274-G276 PolarHBondContact O-N 3.11Å; K274-G282 WeakPolarHBondContact O-CA 3.12Å; K274-V283 PolarHBondContact O-N 2.89Å
275	V	96.5	Very high	92.8	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	39%	0.385	C	S	.	.			trans	-63.8	-35.2	178.8	174.9	0	0	0	0	111.1	V227 L231 V233 G282 V283 R288 T291	V227-V275 HydrophobicContact CB-CG1 4.3Å; V227-V275 HydrophobicContact CG1-CB 4.49Å; V227-V275 HydrophobicContact CG1-CG1 4.08Å; V227-V275 HydrophobicContact CG1-CG2 4.06Å; L231-V275 PolarHBondContact O-N 3.11Å; V233-V275 HydrophobicContact CG2-CG2 4.05Å; V275-G282 WeakPolarHBondContact O-CA 3.41Å; V275-V283 HydrophobicContact CG1-CG2 4.24Å; V275-V283 PolarHBondContact O-N 3.06Å; V275-V283 VanDerWaalsContact O-N 3.07Å; V275-R288 HydrophobicContact CG1-CG 3.85Å; V275-T291 HydrophobicContact CG2-CG2 4.49Å
276	G	92.7	Very high	92.7	Very high	11 Å²	11	67.1 Å²	67.1	11%	0.113	39%	0.385	C	S	.	.			trans	93	155.1	179.8	0	0	0	0	0	112.8	G229 K274 V280	G229-G276 WeakPolarHBondContact CA-O 3.42Å; G229-G276 WeakPolarHBondContact O-CA 3.49Å; G229-G276 PolarHBondContact O-N 3.18Å; K274-G276 PolarHBondContact O-N 3.11Å; G276-V280 CarbonylContact C-O 3.5Å; G276-V280 WeakPolarHBondContact CA-O 3.5Å
277	T	86.3	Confident	92.7	Very high	59 Å²	59	66.8 Å²	66.8	36%	0.362	37%	0.371	S	S	.	.			trans	-111.4	179.9	174.2	65.5	0	0	0	0	109.3	T230 L279 V280	T230-T277 HydrophobicContact CG2-CG2 4.39Å; T277-L279 PolarHBondContact O-N 2.8Å; T277-L279 PolarHBondContact OG1-N 3.44Å; T277-V280 PolarHBondContact N-O 3.49Å; T277-V280 CarbonylContact O-C 3.47Å; T277-V280 PolarHBondContact O-N 2.94Å; T277-V280 WeakPolarHBondContact OG1-CB 3.47Å; T277-V280 PolarHBondContact OG1-N 2.86Å
278	E	81.7	Confident	92.7	Very high	205 Å²	205	71.5 Å²	71.5	96%	0.958	39%	0.389	S	S	*	.	S	Bend	trans	-60.6	-32	173.9	-66	170.5	-171.1	0	0	112.5
279	L	79.7	Confident	92.6	Very high	168 Å²	168	67.4 Å²	67.4	88%	0.88	37%	0.366	S	S	*	.	S	Bend	trans	-91.4	-31.4	-179.7	-60.6	174.8	0	0	0	112.6	T277	T277-L279 PolarHBondContact O-N 2.8Å; T277-L279 PolarHBondContact OG1-N 3.44Å
280	V	84.5	Confident	92.6	Very high	86 Å²	86	64.3 Å²	64.3	52%	0.521	33%	0.333	S	S	.	.	S	Bend	trans	-111.6	110.8	-176	-178	0	0	0	0	109.3	G276 T277 G282	G276-V280 CarbonylContact C-O 3.5Å; G276-V280 WeakPolarHBondContact CA-O 3.5Å; T277-V280 PolarHBondContact N-O 3.49Å; T277-V280 CarbonylContact O-C 3.47Å; T277-V280 PolarHBondContact O-N 2.94Å; T277-V280 WeakPolarHBondContact OG1-CB 3.47Å; T277-V280 PolarHBondContact OG1-N 2.86Å; V280-G282 PolarHBondContact O-N 2.95Å
281	R	90.1	Very high	92.6	Very high	241 Å²	241	63.4 Å²	63.4	91%	0.909	33%	0.328	S	S	*	.			trans	-54.9	135.4	175.8	-173.8	177.2	177.1	167	-0.1	110.9
282	G	93.6	Very high	92.5	Very high	33 Å²	33	63.5 Å²	63.5	34%	0.34	33%	0.328	S	S	.	.			trans	-135.8	-134.8	173	0	0	0	0	0	111.6	K274 V275 V280	K274-G282 WeakPolarHBondContact O-CA 3.12Å; V275-G282 WeakPolarHBondContact O-CA 3.41Å; V280-G282 PolarHBondContact O-N 2.95Å
283	V	95.4	Very high	92.4	Very high	18 Å²	18	58.5 Å²	58.5	11%	0.109	30%	0.302	C	S	.	.	S	Bend	trans	-67.7	162.5	179.9	-56	0	0	0	0	111.9	V233 V270 K274 V275 E287 R288	V233-V283 HydrophobicContact CG2-CG1 4.1Å; V270-V283 HydrophobicContact CB-CG1 4Å; V270-V283 HydrophobicContact CG1-CG1 4.41Å; V270-V283 HydrophobicContact CG2-CG1 4.42Å; K274-V283 PolarHBondContact O-N 2.89Å; V275-V283 HydrophobicContact CG1-CG2 4.24Å; V275-V283 PolarHBondContact O-N 3.06Å; V275-V283 VanDerWaalsContact O-N 3.07Å; V283-E287 HydrophobicContact CB-CB 3.92Å; V283-E287 HydrophobicContact CG2-CB 4.03Å; V283-R288 HydrophobicContact CG2-CB 3.98Å
284	S	93.4	Very high	92.3	Very high	42 Å²	42	56 Å²	56	29%	0.294	28%	0.284	S	S	.	.			trans	-65.1	158.9	176.1	66.8	0	0	0	0	112.2	G286 E287 R288	S284-G286 VanDerWaalsContact C-N 3.27Å; S284-G286 PolarHBondContact O-N 3.36Å; S284-E287 WeakPolarHBondContact CB-OE2 3.38Å; S284-E287 PolarHBondContact N-OE2 2.91Å; S284-E287 PolarHBondContact O-N 2.7Å; S284-E287 VanDerWaalsContact O-N 3.09Å; S284-E287 WeakPolarHBondContact OG-CB 3.49Å; S284-E287 WeakPolarHBondContact OG-CG 3.24Å; S284-E287 PolarHBondContact OG-N 3.22Å; S284-E287 PolarHBondContact OG-OE2 3.26Å; S284-R288 PolarHBondContact O-N 3.07Å
285	G	91.6	Very high	92.3	Very high	26 Å²	26	51.6 Å²	51.6	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	-56	-40.2	177.7	0	0	0	0	0	113.2	R288 K289 L313	G285-R288 PolarHBondContact O-N 3.48Å; G285-K289 WeakPolarHBondContact O-CB 3.34Å; G285-K289 PolarHBondContact O-N 3.05Å; G285-L313 VanDerWaalsContact C-CD2 3.43Å
286	G	92.1	Very high	92.1	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-33.9	177.1	0	0	0	0	0	113.6	S284 R290	S284-G286 VanDerWaalsContact C-N 3.27Å; S284-G286 PolarHBondContact O-N 3.36Å; G286-R290 WeakPolarHBondContact O-CG 3.5Å; G286-R290 PolarHBondContact O-N 3Å; G286-R290 PolarHBondContact O-NE 3.33Å
287	E	94.8	Very high	92.2	Very high	41 Å²	41	51 Å²	51	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-39.9	173.5	-72.5	161.8	155.7	0	0	112	L267 V270 V283 S284 K289 R290 T291	L267-E287 HydrophobicContact CD2-CB 4.14Å; L267-E287 HydrophobicContact CD2-CG 4.19Å; V270-E287 WeakPolarHBondContact CG1-OE1 3.23Å; V270-E287 HydrophobicContact CG2-CB 4.4Å; V270-E287 HydrophobicContact CG2-CG 4.19Å; V283-E287 HydrophobicContact CB-CB 3.92Å; V283-E287 HydrophobicContact CG2-CB 4.03Å; S284-E287 WeakPolarHBondContact CB-OE2 3.38Å; S284-E287 PolarHBondContact N-OE2 2.91Å; S284-E287 PolarHBondContact O-N 2.7Å; S284-E287 VanDerWaalsContact O-N 3.09Å; S284-E287 WeakPolarHBondContact OG-CB 3.49Å; S284-E287 WeakPolarHBondContact OG-CG 3.24Å; S284-E287 PolarHBondContact OG-N 3.22Å; S284-E287 PolarHBondContact OG-OE2 3.26Å; E287-K289 VanDerWaalsContact C-N 3.33Å; E287-R290 VanDerWaalsContact CG-NH2 3.29Å; E287-R290 PolarHBondContact O-N 2.84Å; E287-T291 WeakPolarHBondContact O-CB 3.28Å; E287-T291 PolarHBondContact O-N 2.89Å; E287-T291 PolarHBondContact O-OG1 2.91Å
288	R	95.4	Very high	92.4	Very high	100 Å²	100	48.3 Å²	48.3	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-44.6	172.8	-174.2	176.7	65.5	-152.4	3	110.9	D225 V227 V275 V283 S284 G285 R290 T291 S292	D225-R288 HydrophobicContact CB-CG 3.9Å; D225-R288 IonicContact OD2-NE 3.83Å; D225-R288 PolarHBondContact OD2-NE 2.92Å; D225-R288 IonicContact OD2-NH2 3.57Å; V227-R288 HydrophobicContact CG2-CG 4.44Å; V275-R288 HydrophobicContact CG1-CG 3.85Å; V283-R288 HydrophobicContact CG2-CB 3.98Å; S284-R288 PolarHBondContact O-N 3.07Å; G285-R288 PolarHBondContact O-N 3.48Å; R288-R290 PolarHBondContact O-N 3.25Å; R288-T291 WeakPolarHBondContact O-CB 3.49Å; R288-T291 PolarHBondContact O-N 3.28Å; R288-T291 VanDerWaalsContact O-N 3.14Å; R288-S292 PolarHBondContact O-N 3.22Å
289	K	95.3	Very high	92.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-45.7	175.8	-165.9	60	160	-175.3	0	112.1	V222 Q223 D225 G285 E287 T291 S292 I293 P309 L313 V321	V222-K289 PolarHBondContact O-NZ 3.39Å; V222-K289 VanDerWaalsContact O-NZ 3.17Å; Q223-K289 PolarHBondContact O-NZ 3.31Å; D225-K289 WeakPolarHBondContact OD1-CD 3.45Å; D225-K289 IonicContact OD1-NZ 3.46Å; D225-K289 PolarHBondContact OD1-NZ 3.26Å; G285-K289 WeakPolarHBondContact O-CB 3.34Å; G285-K289 PolarHBondContact O-N 3.05Å; E287-K289 VanDerWaalsContact C-N 3.33Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.34Å; K289-S292 WeakPolarHBondContact O-CB 3.42Å; K289-S292 PolarHBondContact O-N 2.75Å; K289-I293 HydrophobicContact CG-CD1 4.43Å; K289-I293 WeakPolarHBondContact O-CG1 3.35Å; K289-I293 PolarHBondContact O-N 2.82Å; K289-P309 VanDerWaalsContact CE-O 3.26Å; K289-P309 WeakPolarHBondContact CE-O 3.36Å; K289-L313 HydrophobicContact CB-CD1 4.43Å; K289-L313 HydrophobicContact CG-CD1 4.47Å; K289-V321 HydrophobicContact CB-CG2 4.34Å; K289-V321 HydrophobicContact CG-CG1 4.26Å; K289-V321 HydrophobicContact CG-CG2 4.37Å
290	R	95.2	Very high	93.1	Very high	36 Å²	36	36.5 Å²	36.5	14%	0.136	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-37.7	174.7	-75.6	-175.6	-70.8	160.7	-3.1	112	L265 G266 L267 G286 E287 R288 I293 G294 V321	L265-R290 WeakPolarHBondContact CD1-O 3.33Å; L265-R290 WeakPolarHBondContact O-CD 3.23Å; L265-R290 PolarHBondContact O-NH1 2.68Å; G266-R290 PolarHBondContact O-NH1 3.2Å; L267-R290 HydrophobicContact CD1-CB 4.14Å; L267-R290 HydrophobicContact CD2-CB 4.01Å; L267-R290 HydrophobicContact CG-CB 4.33Å; G286-R290 WeakPolarHBondContact O-CG 3.5Å; G286-R290 PolarHBondContact O-N 3Å; G286-R290 PolarHBondContact O-NE 3.33Å; E287-R290 VanDerWaalsContact CG-NH2 3.29Å; E287-R290 PolarHBondContact O-N 2.84Å; R288-R290 PolarHBondContact O-N 3.25Å; R290-I293 WeakPolarHBondContact O-CB 3.23Å; R290-I293 PolarHBondContact O-N 3.1Å; R290-G294 PolarHBondContact O-N 3.16Å; R290-V321 HydrophobicContact CG-CG2 4.31Å
291	T	96.8	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-44.7	174.2	-56.3	0	0	0	0	111.3	V227 V233 N236 V275 E287 R288 K289 I293 G294 M295	V227-T291 HydrophobicContact CG1-CG2 4.22Å; V233-T291 HydrophobicContact CB-CG2 4.4Å; V233-T291 HydrophobicContact CG1-CG2 3.97Å; V233-T291 HydrophobicContact CG2-CG2 4.39Å; N236-T291 HydrophobicContact CB-CG2 4.46Å; V275-T291 HydrophobicContact CG2-CG2 4.49Å; E287-T291 WeakPolarHBondContact O-CB 3.28Å; E287-T291 PolarHBondContact O-N 2.89Å; E287-T291 PolarHBondContact O-OG1 2.91Å; R288-T291 WeakPolarHBondContact O-CB 3.49Å; R288-T291 PolarHBondContact O-N 3.28Å; R288-T291 VanDerWaalsContact O-N 3.14Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.34Å; T291-I293 PolarHBondContact O-N 2.76Å; T291-G294 WeakPolarHBondContact O-CA 3.25Å; T291-G294 PolarHBondContact O-N 3.34Å; T291-G294 VanDerWaalsContact O-N 3.12Å; T291-M295 WeakPolarHBondContact O-CG 3.44Å; T291-M295 PolarHBondContact O-N 2.82Å
292	S	95.7	Very high	93.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-46.1	174.3	-173.3	0	0	0	0	112.1	R288 K289 G294 M295	R288-S292 PolarHBondContact O-N 3.22Å; K289-S292 WeakPolarHBondContact O-CB 3.42Å; K289-S292 PolarHBondContact O-N 2.75Å; S292-G294 VanDerWaalsContact C-N 3.33Å; S292-G294 PolarHBondContact O-N 3.25Å; S292-M295 PolarHBondContact O-N 2.84Å
293	I	95.8	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-45.4	173	-65.5	163.4	0	0	0	110.8	V221 L265 K289 R290 T291 M295 E296 L297 L304 L306 V321 L325 L328	V221-I293 HydrophobicContact CG1-CG1 4.28Å; V221-I293 HydrophobicContact CG2-CB 4.49Å; V221-I293 HydrophobicContact CG2-CG1 4.07Å; L265-I293 HydrophobicContact CD2-CG2 4.3Å; K289-I293 HydrophobicContact CG-CD1 4.43Å; K289-I293 WeakPolarHBondContact O-CG1 3.35Å; K289-I293 PolarHBondContact O-N 2.82Å; R290-I293 WeakPolarHBondContact O-CB 3.23Å; R290-I293 PolarHBondContact O-N 3.1Å; T291-I293 PolarHBondContact O-N 2.76Å; I293-M295 VanDerWaalsContact C-N 3.32Å; I293-M295 PolarHBondContact O-N 2.87Å; I293-E296 PolarHBondContact O-N 2.8Å; I293-E296 VanDerWaalsContact O-N 3.14Å; I293-L297 HydrophobicContact CG2-CD1 3.72Å; I293-L297 HydrophobicContact CG2-CG 4.1Å; I293-L297 WeakPolarHBondContact O-CG 3.41Å; I293-L297 PolarHBondContact O-N 2.85Å; I293-L304 HydrophobicContact CG2-CD2 4.34Å; I293-L306 HydrophobicContact CD1-CD2 3.9Å; I293-L306 HydrophobicContact CG1-CD2 3.74Å; I293-V321 HydrophobicContact CD1-CG1 3.9Å; I293-L325 HydrophobicContact CD1-CD2 4.06Å; I293-L325 HydrophobicContact CG2-CD2 4.43Å; I293-L328 HydrophobicContact CG2-CD1 4.31Å
294	G	95.8	Very high	93.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-40.9	179.3	0	0	0	0	0	113.4	R290 T291 S292 E296 L297 I298	R290-G294 PolarHBondContact O-N 3.16Å; T291-G294 WeakPolarHBondContact O-CA 3.25Å; T291-G294 PolarHBondContact O-N 3.34Å; T291-G294 VanDerWaalsContact O-N 3.12Å; S292-G294 VanDerWaalsContact C-N 3.33Å; S292-G294 PolarHBondContact O-N 3.25Å; G294-E296 PolarHBondContact O-N 2.86Å; G294-L297 PolarHBondContact O-N 3.3Å; G294-L297 VanDerWaalsContact O-N 3.1Å; G294-I298 WeakPolarHBondContact O-CG1 3.22Å; G294-I298 PolarHBondContact O-N 3.4Å
295	M	95.2	Very high	93.2	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.039	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-33.2	177.9	-69.6	-166.3	-59.8	0	0	112.5	V227 N236 L237 S240 R244 T291 S292 I293	V227-M295 HydrophobicContact CB-CE 4.3Å; V227-M295 HydrophobicContact CG1-CE 4.18Å; V227-M295 HydrophobicContact CG1-SD 4.43Å; V227-M295 HydrophobicContact CG2-CE 3.72Å; N236-M295 HydrophobicContact CB-SD 3.96Å; L237-M295 HydrophobicContact CD2-CG 3.97Å; L237-M295 VanDerWaalsContact CD2-N 3.33Å; S240-M295 PolarHBondContact OG-O 2.99Å; R244-M295 PolarHBondContact NH1-O 2.86Å; T291-M295 WeakPolarHBondContact O-CG 3.44Å; T291-M295 PolarHBondContact O-N 2.82Å; S292-M295 PolarHBondContact O-N 2.84Å; I293-M295 VanDerWaalsContact C-N 3.32Å; I293-M295 PolarHBondContact O-N 2.87Å
296	E	93.8	Very high	93.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.08	C	C	.	.	H	α-helix	trans	-79.7	-33.5	175.4	-66.3	-55.9	123.3	0	0	112.7	G219 Y220 V221 R244 I293 G294 I298 T299 P301 L304	G219-E296 WeakPolarHBondContact CA-OE2 3.45Å; Y220-E296 PolarHBondContact N-OE2 2.79Å; V221-E296 HydrophobicContact CG2-CB 4.28Å; V221-E296 HydrophobicContact CG2-CG 3.93Å; R244-E296 IonicContact CZ-OE1 3.35Å; R244-E296 IonicContact CZ-OE2 3.59Å; R244-E296 IonicContact NH1-OE1 3.29Å; R244-E296 PolarHBondContact NH1-OE1 3.24Å; R244-E296 IonicContact NH1-OE2 3.93Å; R244-E296 PolarHBondContact NH1-OE2 3.41Å; R244-E296 VanDerWaalsContact NH1-OE2 3.16Å; R244-E296 IonicContact NH2-OE1 3.77Å; R244-E296 IonicContact NH2-OE2 2.95Å; R244-E296 PolarHBondContact NH2-OE2 3.03Å; I293-E296 PolarHBondContact O-N 2.8Å; I293-E296 VanDerWaalsContact O-N 3.14Å; G294-E296 PolarHBondContact O-N 2.86Å; E296-I298 VanDerWaalsContact C-N 3.25Å; E296-I298 PolarHBondContact O-N 2.83Å; E296-T299 PolarHBondContact O-OG1 3.33Å; E296-P301 WeakPolarHBondContact O-CD 3.38Å; E296-L304 HydrophobicContact CB-CD1 4.09Å
297	L	93.2	Very high	93.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.5	-17.9	180	-70.9	174.7	0	0	0	114.7	I261 L265 I293 G294 T299 E300 L304 L328	I261-L297 HydrophobicContact CD1-CB 4.22Å; L265-L297 HydrophobicContact CD1-CD1 4.4Å; L265-L297 HydrophobicContact CD2-CD1 3.9Å; L265-L297 HydrophobicContact CG-CD1 4.43Å; I293-L297 HydrophobicContact CG2-CD1 3.72Å; I293-L297 HydrophobicContact CG2-CG 4.1Å; I293-L297 WeakPolarHBondContact O-CG 3.41Å; I293-L297 PolarHBondContact O-N 2.85Å; G294-L297 PolarHBondContact O-N 3.3Å; G294-L297 VanDerWaalsContact O-N 3.1Å; L297-T299 PolarHBondContact O-N 3.17Å; L297-E300 PolarHBondContact O-N 2.84Å; L297-L304 HydrophobicContact CD2-CD2 4.05Å; L297-L328 HydrophobicContact CD1-CD1 3.63Å; L297-L328 HydrophobicContact CD1-CD2 3.9Å; L297-L328 HydrophobicContact CD1-CG 4.44Å; L297-L328 HydrophobicContact CD2-CD1 4.28Å
298	I	91.9	Very high	93.6	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36	178.4	-71.9	-79.9	0	0	0	112.3	L237 A241 M245 V258 I261 G294 E296 E300	L237-I298 HydrophobicContact CB-CD1 4.42Å; A241-I298 VanDerWaalsContact CA-CG2 3.45Å; A241-I298 HydrophobicContact CB-CD1 4.1Å; A241-I298 HydrophobicContact CB-CG2 3.97Å; M245-I298 HydrophobicContact CG-CG2 3.8Å; M245-I298 HydrophobicContact SD-CG2 4.09Å; V258-I298 HydrophobicContact CG2-CD1 3.98Å; I261-I298 VanDerWaalsContact CD1-CA 3.44Å; I261-I298 HydrophobicContact CD1-CB 4.26Å; I261-I298 HydrophobicContact CD1-CD1 3.56Å; I261-I298 HydrophobicContact CD1-CG1 3.83Å; G294-I298 WeakPolarHBondContact O-CG1 3.22Å; G294-I298 PolarHBondContact O-N 3.4Å; E296-I298 VanDerWaalsContact C-N 3.25Å; E296-I298 PolarHBondContact O-N 2.83Å; I298-E300 VanDerWaalsContact C-N 3.27Å; I298-E300 PolarHBondContact O-N 3.43Å
299	T	87.2	Confident	93.6	Very high	38 Å²	38	11.5 Å²	11.5	23%	0.233	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.1	-179.7	56.9	0	0	0	0	114.3	R244 E296 L297	R244-T299 HydrophobicContact CB-CG2 3.51Å; R244-T299 HydrophobicContact CG-CG2 4.43Å; E296-T299 PolarHBondContact O-OG1 3.33Å; L297-T299 PolarHBondContact O-N 3.17Å
300	E	88.1	Confident	93.6	Very high	86 Å²	86	12.3 Å²	12.3	40%	0.402	6%	0.063	S	C	.	.			trans	48.6	51.8	-172.3	-60.9	-174.1	154.5	0	0	113.3	K257 L297 I298	K257-E300 WeakPolarHBondContact CE-OE1 3.1Å; K257-E300 VanDerWaalsContact NZ-CD 3.33Å; K257-E300 VanDerWaalsContact NZ-CG 3.33Å; K257-E300 IonicContact NZ-OE1 3.39Å; K257-E300 PolarHBondContact NZ-OE1 2.86Å; L297-E300 PolarHBondContact O-N 2.84Å; I298-E300 VanDerWaalsContact C-N 3.27Å; I298-E300 PolarHBondContact O-N 3.43Å
301	P	89.2	Confident	93.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	8%	0.076	C	C	.	.			trans	-64.4	137.2	-173.4	28.1	-36.3	0	0	0	110.8	I217 G219 E296 V303	I217-P301 WeakPolarHBondContact O-CA 3.23Å; I217-P301 VanDerWaalsContact O-CB 3.23Å; I217-P301 WeakPolarHBondContact O-CB 3.5Å; G219-P301 VanDerWaalsContact N-CB 3.28Å; E296-P301 WeakPolarHBondContact O-CD 3.38Å; P301-V303 PolarHBondContact O-N 3.07Å
302	P	85.5	Confident	93	Very high	34 Å²	34	17.7 Å²	17.7	22%	0.221	12%	0.117	C	C	.	.	S	Bend	trans	-69	-27	177.1	27.6	-34	0	0	0	111.9	A134 I217 T334	A134-P302 HydrophobicContact CB-CB 4.21Å; I217-P302 HydrophobicContact CG2-CG 4.46Å; P302-T334 PolarHBondContact O-N 3.26Å; P302-T334 VanDerWaalsContact O-N 3.15Å
303	V	92.9	Very high	92.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.9	176.2	-170.5	0	0	0	0	109.6	A134 L136 G219 P301 F305 T334 I336	A134-V303 HydrophobicContact CB-CG2 3.94Å; L136-V303 HydrophobicContact CD1-CG1 4.32Å; G219-V303 PolarHBondContact N-O 3.36Å; G219-V303 VanDerWaalsContact N-O 3.12Å; P301-V303 PolarHBondContact O-N 3.07Å; V303-F305 HydrophobicContact CB-CE2 4.19Å; V303-F305 HydrophobicContact CB-CZ 4.45Å; V303-F305 HydrophobicContact CG1-CD2 4.18Å; V303-F305 HydrophobicContact CG1-CE1 4.06Å; V303-F305 HydrophobicContact CG1-CE2 3.57Å; V303-F305 HydrophobicContact CG1-CZ 3.51Å; V303-T334 CarbonylContact C-O 3.56Å; V303-T334 WeakPolarHBondContact CA-O 3.48Å; V303-T334 HydrophobicContact CG1-CG2 4.26Å; V303-I336 HydrophobicContact CG1-CD1 3.69Å; V303-I336 HydrophobicContact CG1-CG1 4.43Å
304	L	95.3	Very high	92.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.7	175.6	-179.9	67.9	0	0	0	109.7	V221 I293 E296 L297 L306 L325 T334 I335 I336	V221-L304 HydrophobicContact CG2-CD1 4.19Å; I293-L304 HydrophobicContact CG2-CD2 4.34Å; E296-L304 HydrophobicContact CB-CD1 4.09Å; L297-L304 HydrophobicContact CD2-CD2 4.05Å; L304-L306 HydrophobicContact CD2-CD1 3.93Å; L304-L306 HydrophobicContact CD2-CG 4.48Å; L304-L306 HydrophobicContact CG-CD1 3.82Å; L304-L306 HydrophobicContact CG-CG 4.31Å; L304-L325 HydrophobicContact CD2-CD2 4.42Å; L304-T334 PolarHBondContact N-O 2.8Å; L304-I335 HydrophobicContact CB-CG1 4.42Å; L304-I335 WeakPolarHBondContact O-CA 3.39Å; L304-I336 PolarHBondContact O-N 3.24Å
305	F	96.5	Very high	92.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.4	175	-59.3	-85.7	0	0	0	110.2	L136 L187 L190 A191 F214 G219 Y220 V221 V303 I336	L136-F305 HydrophobicContact CD1-CE1 4.19Å; L136-F305 HydrophobicContact CD1-CZ 3.75Å; L187-F305 HydrophobicContact CD1-CB 4.26Å; L187-F305 HydrophobicContact CD1-CD1 3.79Å; L187-F305 HydrophobicContact CG-CB 4.39Å; L187-F305 HydrophobicContact CG-CD1 4.37Å; L190-F305 HydrophobicContact CB-CE1 3.7Å; L190-F305 HydrophobicContact CB-CZ 4.26Å; L190-F305 WeakPolarHBondContact O-CZ 3.49Å; A191-F305 HydrophobicContact CB-CD1 4.31Å; A191-F305 HydrophobicContact CB-CD2 3.8Å; A191-F305 HydrophobicContact CB-CE1 4.45Å; A191-F305 HydrophobicContact CB-CE2 3.96Å; A191-F305 HydrophobicContact CB-CG 3.97Å; A191-F305 HydrophobicContact CB-CZ 4.28Å; F214-F305 HydrophobicContact CE1-CE2 4.07Å; F214-F305 HydrophobicContact CE1-CZ 4.33Å; F214-F305 AromaticContact CZ-CE2 3.92Å; F214-F305 HydrophobicContact CZ-CE2 3.92Å; F214-F305 HydrophobicContact CZ-CZ 4.23Å; G219-F305 WeakPolarHBondContact O-CD2 3.34Å; G219-F305 PolarHBondContact O-N 3.14Å; Y220-F305 CarbonylContact C-O 3.53Å; Y220-F305 WeakPolarHBondContact CA-O 3.46Å; Y220-F305 HydrophobicContact CD2-CB 3.44Å; Y220-F305 VanDerWaalsContact CD2-CB 3.44Å; Y220-F305 HydrophobicContact CD2-CD2 4.43Å; Y220-F305 HydrophobicContact CD2-CG 4.13Å; Y220-F305 HydrophobicContact CE2-CB 3.92Å; Y220-F305 HydrophobicContact CG-CB 4.23Å; V221-F305 PolarHBondContact N-O 2.98Å; V303-F305 HydrophobicContact CB-CE2 4.19Å; V303-F305 HydrophobicContact CB-CZ 4.45Å; V303-F305 HydrophobicContact CG1-CD2 4.18Å; V303-F305 HydrophobicContact CG1-CE1 4.06Å; V303-F305 HydrophobicContact CG1-CE2 3.57Å; V303-F305 HydrophobicContact CG1-CZ 3.51Å; F305-I336 CarbonylContact C-O 3.56Å; F305-I336 VanDerWaalsContact CA-O 3.22Å; F305-I336 WeakPolarHBondContact CA-O 3.34Å; F305-I336 HydrophobicContact CD1-CB 3.96Å; F305-I336 HydrophobicContact CD1-CD1 4Å; F305-I336 HydrophobicContact CD1-CG2 4.33Å; F305-I336 HydrophobicContact CE1-CB 4.3Å; F305-I336 HydrophobicContact CE1-CD1 3.46Å; F305-I336 VanDerWaalsContact CE1-CD1 3.46Å; F305-I336 HydrophobicContact CE1-CG1 4.44Å; F305-I336 HydrophobicContact CZ-CD1 4.12Å
306	L	97	Very high	92.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122	174.1	-51.2	94.5	0	0	0	111.7	L187 V221 I293 L304 P309 L325 I335 I336 F337 S338	L187-L306 WeakPolarHBondContact CD2-O 3.39Å; V221-L306 HydrophobicContact CB-CB 4.25Å; V221-L306 HydrophobicContact CB-CD2 4.09Å; V221-L306 HydrophobicContact CB-CG 4Å; V221-L306 HydrophobicContact CG1-CD2 4.43Å; V221-L306 HydrophobicContact CG2-CD2 4.06Å; V221-L306 HydrophobicContact CG2-CG 4.13Å; V221-L306 WeakPolarHBondContact O-CA 3.33Å; I293-L306 HydrophobicContact CD1-CD2 3.9Å; I293-L306 HydrophobicContact CG1-CD2 3.74Å; L304-L306 HydrophobicContact CD2-CD1 3.93Å; L304-L306 HydrophobicContact CD2-CG 4.48Å; L304-L306 HydrophobicContact CG-CD1 3.82Å; L304-L306 HydrophobicContact CG-CG 4.31Å; L306-P309 HydrophobicContact CB-CB 4.03Å; L306-P309 HydrophobicContact CB-CG 3.97Å; L306-P309 HydrophobicContact CD2-CB 3.97Å; L306-P309 HydrophobicContact CD2-CG 4.43Å; L306-L325 HydrophobicContact CD1-CD1 4.35Å; L306-L325 HydrophobicContact CD1-CD2 4.1Å; L306-L325 HydrophobicContact CD2-CD1 4.02Å; L306-L325 HydrophobicContact CD2-CD2 3.67Å; L306-L325 HydrophobicContact CD2-CG 4.48Å; L306-I335 HydrophobicContact CD1-CG2 3.5Å; L306-I335 VanDerWaalsContact CD1-CG2 3.5Å; L306-I336 PolarHBondContact N-O 3.21Å; L306-F337 HydrophobicContact CB-CB 3.86Å; L306-F337 HydrophobicContact CD1-CB 4.14Å; L306-F337 CarbonylContact O-C 3.57Å; L306-F337 WeakPolarHBondContact O-CA 3.21Å; L306-F337 WeakPolarHBondContact O-CB 3.49Å; L306-S338 PolarHBondContact O-N 3.32Å
307	D	95.4	Very high	92.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	20%	0.203	C	C	.	.	S	Bend	trans	-87	112.5	175.8	-150.8	-2.7	0	0	0	109	S184 L187 Y220 V221 Q223 S338 K758	S184-D307 WeakPolarHBondContact CB-OD1 3.22Å; S184-D307 PolarHBondContact OG-OD1 3.38Å; L187-D307 HydrophobicContact CD2-CB 3.92Å; Y220-D307 PolarHBondContact OH-OD2 2.99Å; V221-D307 PolarHBondContact O-N 2.84Å; Q223-D307 VanDerWaalsContact CA-O 3.31Å; Q223-D307 WeakPolarHBondContact CA-O 3.2Å; Q223-D307 HydrophobicContact CB-CB 4.33Å; D307-S338 WeakPolarHBondContact CA-OG 3.29Å; D307-S338 PolarHBondContact OD1-OG 2.79Å; D307-K758 IonicContact OD2-NZ 3.72Å; D307-K758 PolarHBondContact OD2-NZ 2.74Å
308	E	94.8	Very high	92.1	Very high	27 Å²	27	35.1 Å²	35.1	13%	0.126	21%	0.205	C	C	.	.	S	Bend	trans	41.8	61.8	177.7	-58.5	-162.2	169.3	0	0	114.5	Q223 T310 T311 S338	Q223-E308 HydrophobicContact CG-CB 4.35Å; Q223-E308 PolarHBondContact NE2-OE2 2.83Å; E308-T310 PolarHBondContact O-N 3.04Å; E308-T311 WeakPolarHBondContact CB-OG1 3.35Å; E308-T311 PolarHBondContact O-N 3.43Å; E308-T311 VanDerWaalsContact O-N 3.12Å; E308-T311 PolarHBondContact OE2-OG1 3.12Å; E308-S338 VanDerWaalsContact CA-O 3.29Å; E308-S338 WeakPolarHBondContact CA-O 3.48Å; E308-S338 PolarHBondContact N-O 3.1Å; E308-S338 PolarHBondContact N-OG 2.95Å
309	P	95.7	Very high	92.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.6	-169.9	28.3	-34.3	0	0	0	114.6	K289 L306 L325 F337 S338	K289-P309 VanDerWaalsContact CE-O 3.26Å; K289-P309 WeakPolarHBondContact CE-O 3.36Å; L306-P309 HydrophobicContact CB-CB 4.03Å; L306-P309 HydrophobicContact CB-CG 3.97Å; L306-P309 HydrophobicContact CD2-CB 3.97Å; L306-P309 HydrophobicContact CD2-CG 4.43Å; P309-L325 HydrophobicContact CG-CD1 4.28Å; P309-F337 HydrophobicContact CG-CB 4.16Å; P309-F337 HydrophobicContact CG-CD2 4.31Å; P309-F337 HydrophobicContact CG-CG 4.5Å; P309-S338 WeakPolarHBondContact CD-O 3.5Å
310	T	94.5	Very high	92.5	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.117	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.4	179.8	55.9	0	0	0	0	113.4	E308 L313 A318 V322 I339	E308-T310 PolarHBondContact O-N 3.04Å; T310-L313 PolarHBondContact O-N 3.43Å; T310-A318 HydrophobicContact CG2-CB 3.8Å; T310-V322 HydrophobicContact CG2-CG2 3.7Å; T310-I339 HydrophobicContact CG2-CD1 3.91Å
311	T	91.3	Very high	92.9	Very high	66 Å²	66	32.3 Å²	32.3	41%	0.405	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	137.8	-179.3	-72.4	0	0	0	0	110.8	E308 L313	E308-T311 WeakPolarHBondContact CB-OG1 3.35Å; E308-T311 PolarHBondContact O-N 3.43Å; E308-T311 VanDerWaalsContact O-N 3.12Å; E308-T311 PolarHBondContact OE2-OG1 3.12Å; T311-L313 PolarHBondContact O-N 2.94Å
312	G	87.9	Confident	93.2	Very high	84 Å²	84	32.3 Å²	32.3	87%	0.866	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	4.4	-178.1	0	0	0	0	0	115.1
313	L	92.1	Very high	93.6	Very high	34 Å²	34	36.2 Å²	36.2	18%	0.178	21%	0.206	C	C	.	.	S	Bend	trans	-104.1	145.9	176.1	-58.6	-177.4	0	0	0	111	G285 K289 T310 T311 M317 A318 V321	G285-L313 VanDerWaalsContact C-CD2 3.43Å; K289-L313 HydrophobicContact CB-CD1 4.43Å; K289-L313 HydrophobicContact CG-CD1 4.47Å; T310-L313 PolarHBondContact O-N 3.43Å; T311-L313 PolarHBondContact O-N 2.94Å; L313-M317 HydrophobicContact CB-CB 4.29Å; L313-A318 HydrophobicContact CB-CB 4.24Å; L313-V321 HydrophobicContact CD1-CG2 3.83Å
314	D	91.1	Very high	93.7	Very high	92 Å²	92	37.1 Å²	37.1	49%	0.492	21%	0.211	S	C	.	.			trans	-63.9	163.2	165.3	73.1	49.3	0	0	0	110.9	Y316 M317 A318	D314-Y316 PolarHBondContact O-N 3.24Å; D314-Y316 WeakPolarHBondContact OD1-CA 3.49Å; D314-Y316 WeakPolarHBondContact OD1-CB 3.34Å; D314-Y316 PolarHBondContact OD1-N 2.9Å; D314-M317 PolarHBondContact O-N 2.7Å; D314-M317 WeakPolarHBondContact OD1-CG 3.46Å; D314-M317 PolarHBondContact OD1-N 3.42Å; D314-M317 WeakPolarHBondContact OD2-CG 3.4Å; D314-A318 VanDerWaalsContact O-CB 3.27Å; D314-A318 WeakPolarHBondContact O-CB 3.13Å; D314-A318 PolarHBondContact O-N 3.09Å
315	A	89.3	Confident	93.7	Very high	40 Å²	40	37.1 Å²	37.1	33%	0.331	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-31.4	-175.9	0	0	0	0	0	114.6	G319 K343	A315-G319 PolarHBondContact O-N 3.11Å; A315-G319 VanDerWaalsContact O-N 3.17Å; A315-K343 HydrophobicContact CB-CD 3.76Å
316	Y	92	Very high	93.7	Very high	152 Å²	152	38.5 Å²	38.5	60%	0.596	22%	0.217	S	C	*	.	H	α-helix	trans	-73.5	-49.8	-179.7	172.7	-100	0	0	0	110.2	D314 G319 Q320	D314-Y316 PolarHBondContact O-N 3.24Å; D314-Y316 WeakPolarHBondContact OD1-CA 3.49Å; D314-Y316 WeakPolarHBondContact OD1-CB 3.34Å; D314-Y316 PolarHBondContact OD1-N 2.9Å; Y316-G319 WeakPolarHBondContact O-CA 3.12Å; Y316-G319 PolarHBondContact O-N 3.43Å; Y316-G319 VanDerWaalsContact O-N 3.13Å; Y316-Q320 HydrophobicContact CE1-CG 4.17Å; Y316-Q320 PolarHBondContact O-N 3.01Å; Y316-Q320 PolarHBondContact OH-NE2 3.36Å
317	M	92.8	Very high	93.5	Very high	55 Å²	55	40.9 Å²	40.9	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-43.2	177.9	-66.4	-60.4	174.8	0	0	111.6	L313 D314 G319 Q320 V321	L313-M317 HydrophobicContact CB-CB 4.29Å; D314-M317 PolarHBondContact O-N 2.7Å; D314-M317 WeakPolarHBondContact OD1-CG 3.46Å; D314-M317 PolarHBondContact OD1-N 3.42Å; D314-M317 WeakPolarHBondContact OD2-CG 3.4Å; M317-G319 VanDerWaalsContact C-N 3.28Å; M317-G319 PolarHBondContact O-N 3.24Å; M317-Q320 PolarHBondContact O-N 3.4Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; M317-V321 WeakPolarHBondContact O-CG2 3.35Å; M317-V321 PolarHBondContact O-N 2.77Å
318	A	94.4	Very high	93.3	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-44.9	172.1	0	0	0	0	0	111.5	T310 L313 D314 Q320 V321 V322 I346	T310-A318 HydrophobicContact CG2-CB 3.8Å; L313-A318 HydrophobicContact CB-CB 4.24Å; D314-A318 VanDerWaalsContact O-CB 3.27Å; D314-A318 WeakPolarHBondContact O-CB 3.13Å; D314-A318 PolarHBondContact O-N 3.09Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 2.91Å; A318-V321 PolarHBondContact O-N 3.44Å; A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.05Å; A318-I346 HydrophobicContact CB-CD1 4.04Å
319	G	94.1	Very high	93.3	Very high	11 Å²	11	39.8 Å²	39.8	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-40.1	175.4	0	0	0	0	0	113.3	A315 Y316 M317 K323	A315-G319 PolarHBondContact O-N 3.11Å; A315-G319 VanDerWaalsContact O-N 3.17Å; Y316-G319 WeakPolarHBondContact O-CA 3.12Å; Y316-G319 PolarHBondContact O-N 3.43Å; Y316-G319 VanDerWaalsContact O-N 3.13Å; M317-G319 VanDerWaalsContact C-N 3.28Å; M317-G319 PolarHBondContact O-N 3.24Å; G319-K323 WeakPolarHBondContact O-CB 3.48Å; G319-K323 VanDerWaalsContact O-CG 3.23Å; G319-K323 WeakPolarHBondContact O-CG 3.4Å; G319-K323 PolarHBondContact O-N 2.96Å
320	Q	93	Very high	93.1	Very high	57 Å²	57	47.8 Å²	47.8	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-41.1	177.5	-65	-61.5	-9.4	0	0	112.6	Y316 M317 A318 K323 T324	Y316-Q320 HydrophobicContact CE1-CG 4.17Å; Y316-Q320 PolarHBondContact O-N 3.01Å; Y316-Q320 PolarHBondContact OH-NE2 3.36Å; M317-Q320 PolarHBondContact O-N 3.4Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 2.91Å; Q320-K323 PolarHBondContact O-N 2.96Å; Q320-T324 PolarHBondContact O-N 3.44Å; Q320-T324 PolarHBondContact O-OG1 3.33Å
321	V	95	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-49.1	174.4	174.2	0	0	0	0	110.1	K289 R290 I293 L313 M317 A318 K323 T324 L325	K289-V321 HydrophobicContact CB-CG2 4.34Å; K289-V321 HydrophobicContact CG-CG1 4.26Å; K289-V321 HydrophobicContact CG-CG2 4.37Å; R290-V321 HydrophobicContact CG-CG2 4.31Å; I293-V321 HydrophobicContact CD1-CG1 3.9Å; L313-V321 HydrophobicContact CD1-CG2 3.83Å; M317-V321 WeakPolarHBondContact O-CG2 3.35Å; M317-V321 PolarHBondContact O-N 2.77Å; A318-V321 PolarHBondContact O-N 3.44Å; V321-K323 PolarHBondContact O-N 3.23Å; V321-T324 WeakPolarHBondContact O-CA 3.47Å; V321-T324 VanDerWaalsContact O-CB 3.28Å; V321-T324 WeakPolarHBondContact O-CB 3.46Å; V321-T324 PolarHBondContact O-N 2.81Å; V321-T324 VanDerWaalsContact O-N 3.11Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.02Å
322	V	96.3	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-35.8	-179.5	-178.2	0	0	0	0	112.2	M172 T310 A318 T324 L325 K326 I346 L349 F350	M172-V322 HydrophobicContact CE-CG1 3.81Å; T310-V322 HydrophobicContact CG2-CG2 3.7Å; A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.05Å; V322-T324 VanDerWaalsContact C-N 3.28Å; V322-T324 PolarHBondContact O-N 3.25Å; V322-L325 PolarHBondContact O-N 3.4Å; V322-K326 PolarHBondContact O-N 3.1Å; V322-I346 HydrophobicContact CB-CG2 4.36Å; V322-I346 HydrophobicContact CG1-CG2 4.12Å; V322-I346 HydrophobicContact CG2-CD1 4.45Å; V322-I346 HydrophobicContact CG2-CG1 4.39Å; V322-I346 HydrophobicContact CG2-CG2 3.96Å; V322-L349 HydrophobicContact CB-CD1 4.42Å; V322-L349 HydrophobicContact CG1-CB 4.37Å; V322-L349 HydrophobicContact CG1-CD1 3.79Å; V322-F350 HydrophobicContact CG1-CE1 4.5Å
323	K	95	Very high	92.8	Very high	116 Å²	116	44.8 Å²	44.8	50%	0.504	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-40.3	171.7	-77.6	172.7	-175.9	178.7	0	111.7	G319 Q320 V321 K326 A327 L349	G319-K323 WeakPolarHBondContact O-CB 3.48Å; G319-K323 VanDerWaalsContact O-CG 3.23Å; G319-K323 WeakPolarHBondContact O-CG 3.4Å; G319-K323 PolarHBondContact O-N 2.96Å; Q320-K323 PolarHBondContact O-N 2.96Å; V321-K323 PolarHBondContact O-N 3.23Å; K323-K326 PolarHBondContact O-N 3.04Å; K323-A327 PolarHBondContact O-N 3.13Å; K323-L349 HydrophobicContact CG-CD1 4.12Å
324	T	93.9	Very high	93	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-47.8	174.7	-52.7	0	0	0	0	110.3	L265 Q320 V321 V322 K326 A327 L328	L265-T324 HydrophobicContact CD2-CG2 3.5Å; Q320-T324 PolarHBondContact O-N 3.44Å; Q320-T324 PolarHBondContact O-OG1 3.33Å; V321-T324 WeakPolarHBondContact O-CA 3.47Å; V321-T324 VanDerWaalsContact O-CB 3.28Å; V321-T324 WeakPolarHBondContact O-CB 3.46Å; V321-T324 PolarHBondContact O-N 2.81Å; V321-T324 VanDerWaalsContact O-N 3.11Å; V322-T324 VanDerWaalsContact C-N 3.28Å; V322-T324 PolarHBondContact O-N 3.25Å; T324-K326 VanDerWaalsContact C-N 3.3Å; T324-K326 PolarHBondContact O-N 2.98Å; T324-A327 WeakPolarHBondContact O-CB 3.49Å; T324-A327 PolarHBondContact O-N 3.17Å; T324-A327 VanDerWaalsContact O-N 3.12Å; T324-L328 WeakPolarHBondContact O-CG 3.23Å; T324-L328 PolarHBondContact O-N 2.9Å
325	L	95.9	Very high	93.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-42	173.6	-62.5	177.2	0	0	0	111.9	M172 I293 L304 L306 P309 V321 V322 A327 L328 A329 I335	M172-L325 HydrophobicContact CE-CB 3.84Å; M172-L325 HydrophobicContact SD-CB 3.75Å; I293-L325 HydrophobicContact CD1-CD2 4.06Å; I293-L325 HydrophobicContact CG2-CD2 4.43Å; L304-L325 HydrophobicContact CD2-CD2 4.42Å; L306-L325 HydrophobicContact CD1-CD1 4.35Å; L306-L325 HydrophobicContact CD1-CD2 4.1Å; L306-L325 HydrophobicContact CD2-CD1 4.02Å; L306-L325 HydrophobicContact CD2-CD2 3.67Å; L306-L325 HydrophobicContact CD2-CG 4.48Å; P309-L325 HydrophobicContact CG-CD1 4.28Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.02Å; V322-L325 PolarHBondContact O-N 3.4Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.26Å; L325-L328 HydrophobicContact CD2-CD1 4.28Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 3.1Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 3.42Å; L325-I335 HydrophobicContact CB-CD1 4.32Å; L325-I335 HydrophobicContact CD2-CD1 4.49Å; L325-I335 WeakPolarHBondContact O-CD1 3.2Å
326	K	95.8	Very high	93.7	Very high	30 Å²	30	36.9 Å²	36.9	13%	0.13	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-40.4	176.9	-174.6	63.1	177	-169.3	0	112	M172 V322 K323 T324 L328 A329 K330 L349 D351	M172-K326 HydrophobicContact CG-CB 4.48Å; M172-K326 HydrophobicContact CG-CD 3.61Å; V322-K326 PolarHBondContact O-N 3.1Å; K323-K326 PolarHBondContact O-N 3.04Å; T324-K326 VanDerWaalsContact C-N 3.3Å; T324-K326 PolarHBondContact O-N 2.98Å; K326-L328 VanDerWaalsContact C-N 3.34Å; K326-A329 PolarHBondContact O-N 3.18Å; K326-K330 WeakPolarHBondContact O-CG 3.37Å; K326-K330 PolarHBondContact O-N 3.42Å; K326-L349 WeakPolarHBondContact CD-O 3.24Å; K326-L349 WeakPolarHBondContact CE-O 3.46Å; K326-L349 HydrophobicContact CG-CD2 4.41Å; K326-L349 PolarHBondContact NZ-O 3.37Å; K326-D351 IonicContact NZ-OD1 3.63Å; K326-D351 PolarHBondContact NZ-OD1 3.45Å; K326-D351 IonicContact NZ-OD2 3.16Å; K326-D351 PolarHBondContact NZ-OD2 3.29Å
327	A	92.9	Very high	94	Very high	49 Å²	49	29.6 Å²	29.6	41%	0.405	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-41.3	176	0	0	0	0	0	111.6	K323 T324 L325 K330	K323-A327 PolarHBondContact O-N 3.13Å; T324-A327 WeakPolarHBondContact O-CB 3.49Å; T324-A327 PolarHBondContact O-N 3.17Å; T324-A327 VanDerWaalsContact O-N 3.12Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.26Å; A327-K330 PolarHBondContact O-N 3.43Å
328	L	92.1	Very high	94.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-44.4	174.2	-65.6	171.1	0	0	0	112.2	E264 L265 I293 L297 T324 L325 K326 K330 R331 I335	E264-L328 VanDerWaalsContact CD-CD2 3.44Å; E264-L328 HydrophobicContact CG-CD2 3.71Å; E264-L328 WeakPolarHBondContact OE1-CD2 3.42Å; L265-L328 HydrophobicContact CD2-CD1 4.31Å; I293-L328 HydrophobicContact CG2-CD1 4.31Å; L297-L328 HydrophobicContact CD1-CD1 3.63Å; L297-L328 HydrophobicContact CD1-CD2 3.9Å; L297-L328 HydrophobicContact CD1-CG 4.44Å; L297-L328 HydrophobicContact CD2-CD1 4.28Å; T324-L328 WeakPolarHBondContact O-CG 3.23Å; T324-L328 PolarHBondContact O-N 2.9Å; L325-L328 HydrophobicContact CD2-CD1 4.28Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 3.1Å; K326-L328 VanDerWaalsContact C-N 3.34Å; L328-K330 VanDerWaalsContact C-N 3.34Å; L328-K330 PolarHBondContact O-N 3.09Å; L328-R331 WeakPolarHBondContact O-CB 3.48Å; L328-R331 PolarHBondContact O-N 3.23Å; L328-I335 HydrophobicContact CB-CD1 3.73Å
329	A	93.8	Very high	94.2	Very high	6 Å²	6	26.8 Å²	26.8	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.7	0	0	0	0	0	112.2	M172 L325 K326 R331 G332 R333 I335	M172-A329 HydrophobicContact CG-CB 3.79Å; M172-A329 HydrophobicContact SD-CB 4.12Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 3.42Å; K326-A329 PolarHBondContact O-N 3.18Å; A329-R331 PolarHBondContact O-N 3.23Å; A329-R331 VanDerWaalsContact O-N 3.13Å; A329-G332 PolarHBondContact O-N 3.5Å; A329-R333 PolarHBondContact O-N 2.99Å; A329-I335 HydrophobicContact CB-CD1 3.92Å; A329-I335 HydrophobicContact CB-CG1 4.29Å
330	K	92.6	Very high	93.9	Very high	167 Å²	167	29.1 Å²	29.1	73%	0.726	14%	0.144	S	C	*	.	H	α-helix	trans	-59.8	-22.4	176.2	-78.7	-178.6	176.7	-172.6	0	113.5	K326 A327 L328 G332	K326-K330 WeakPolarHBondContact O-CG 3.37Å; K326-K330 PolarHBondContact O-N 3.42Å; A327-K330 PolarHBondContact O-N 3.43Å; L328-K330 VanDerWaalsContact C-N 3.34Å; L328-K330 PolarHBondContact O-N 3.09Å; K330-G332 PolarHBondContact O-N 3.31Å
331	R	87.5	Confident	93.6	Very high	82 Å²	82	30.5 Å²	30.5	31%	0.309	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.1	174	-62.6	-179.2	179.2	-162.8	-0.2	113.6	F125 E264 L328 A329	F125-R331 VanDerWaalsContact CZ-NH2 3.29Å; E264-R331 VanDerWaalsContact OE1-CD 3.26Å; E264-R331 WeakPolarHBondContact OE1-CD 3.39Å; E264-R331 IonicContact OE1-CZ 3.88Å; E264-R331 IonicContact OE1-NE 2.74Å; E264-R331 PolarHBondContact OE1-NE 3.27Å; E264-R331 IonicContact OE1-NH1 2.56Å; E264-R331 PolarHBondContact OE1-NH1 3.33Å; E264-R331 IonicContact OE2-NH1 2.66Å; E264-R331 PolarHBondContact OE2-NH1 2.92Å; L328-R331 WeakPolarHBondContact O-CB 3.48Å; L328-R331 PolarHBondContact O-N 3.23Å; A329-R331 PolarHBondContact O-N 3.23Å; A329-R331 VanDerWaalsContact O-N 3.13Å
332	G	88.3	Confident	93.6	Very high	22 Å²	22	30.7 Å²	30.7	23%	0.227	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	4.7	176.7	0	0	0	0	0	114.3	G133 A329 K330	G133-G332 WeakPolarHBondContact CA-O 3.47Å; G133-G332 PolarHBondContact N-O 2.77Å; A329-G332 PolarHBondContact O-N 3.5Å; K330-G332 PolarHBondContact O-N 3.31Å
333	R	91.9	Very high	93.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	18%	0.177	C	C	.	.			trans	-76.2	147.1	179.8	-64.2	176.2	-175.7	-116.6	15	111.9	I131 G171 A329 I335	I131-R333 HydrophobicContact CG2-CG 4.13Å; G171-R333 PolarHBondContact N-O 3.18Å; A329-R333 PolarHBondContact O-N 2.99Å; R333-I335 HydrophobicContact CB-CG1 4.36Å
334	T	95.7	Very high	93.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.1	169.4	-57.2	0	0	0	0	109	A134 P170 P302 V303 L304 I336	A134-T334 PolarHBondContact N-OG1 3.35Å; A134-T334 WeakPolarHBondContact O-CB 3.39Å; A134-T334 PolarHBondContact O-OG1 2.94Å; P170-T334 VanDerWaalsContact CA-OG1 3.32Å; P170-T334 WeakPolarHBondContact CA-OG1 3.22Å; P302-T334 PolarHBondContact O-N 3.26Å; P302-T334 VanDerWaalsContact O-N 3.15Å; V303-T334 CarbonylContact C-O 3.56Å; V303-T334 WeakPolarHBondContact CA-O 3.48Å; V303-T334 HydrophobicContact CG1-CG2 4.26Å; L304-T334 PolarHBondContact N-O 2.8Å; T334-I336 HydrophobicContact CG2-CD1 4.23Å; T334-I336 HydrophobicContact CG2-CG1 4.15Å
335	I	97	Very high	93.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.9	179.1	-57.8	-173.8	0	0	0	108.3	G171 M172 N173 L304 L306 L325 L328 A329 R333 F337	G171-I335 PolarHBondContact O-N 3.42Å; M172-I335 HydrophobicContact SD-CB 4.17Å; M172-I335 HydrophobicContact SD-CD1 4.31Å; M172-I335 HydrophobicContact SD-CG2 4.1Å; N173-I335 WeakPolarHBondContact CB-O 3.32Å; N173-I335 PolarHBondContact N-O 2.95Å; N173-I335 PolarHBondContact ND2-O 2.96Å; L304-I335 HydrophobicContact CB-CG1 4.42Å; L304-I335 WeakPolarHBondContact O-CA 3.39Å; L306-I335 HydrophobicContact CD1-CG2 3.5Å; L306-I335 VanDerWaalsContact CD1-CG2 3.5Å; L325-I335 HydrophobicContact CB-CD1 4.32Å; L325-I335 HydrophobicContact CD2-CD1 4.49Å; L325-I335 WeakPolarHBondContact O-CD1 3.2Å; L328-I335 HydrophobicContact CB-CD1 3.73Å; A329-I335 HydrophobicContact CB-CD1 3.92Å; A329-I335 HydrophobicContact CB-CG1 4.29Å; R333-I335 HydrophobicContact CB-CG1 4.36Å; I335-F337 HydrophobicContact CG2-CD1 4.04Å
336	I	97.8	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.9	-178.7	-53.6	165	0	0	0	107.1	L136 L168 N173 L175 L187 V303 L304 F305 L306 T334	L136-I336 HydrophobicContact CD1-CD1 4.06Å; L168-I336 HydrophobicContact CB-CD1 4.21Å; L168-I336 HydrophobicContact CB-CG1 4.37Å; L168-I336 HydrophobicContact CD1-CB 4.49Å; L168-I336 HydrophobicContact CD1-CD1 3.48Å; L168-I336 VanDerWaalsContact CD1-CD1 3.48Å; L168-I336 HydrophobicContact CD1-CG1 3.81Å; L168-I336 HydrophobicContact CD1-CG2 3.85Å; L168-I336 HydrophobicContact CG-CD1 4.48Å; N173-I336 HydrophobicContact CB-CG1 4.34Å; N173-I336 WeakPolarHBondContact O-CA 3.43Å; L175-I336 HydrophobicContact CD1-CG2 4.36Å; L175-I336 HydrophobicContact CG-CG2 4.41Å; L187-I336 HydrophobicContact CD1-CB 4.32Å; L187-I336 HydrophobicContact CD1-CG2 3.66Å; V303-I336 HydrophobicContact CG1-CD1 3.69Å; V303-I336 HydrophobicContact CG1-CG1 4.43Å; L304-I336 PolarHBondContact O-N 3.24Å; F305-I336 CarbonylContact C-O 3.56Å; F305-I336 VanDerWaalsContact CA-O 3.22Å; F305-I336 WeakPolarHBondContact CA-O 3.34Å; F305-I336 HydrophobicContact CD1-CB 3.96Å; F305-I336 HydrophobicContact CD1-CD1 4Å; F305-I336 HydrophobicContact CD1-CG2 4.33Å; F305-I336 HydrophobicContact CE1-CB 4.3Å; F305-I336 HydrophobicContact CE1-CD1 3.46Å; F305-I336 VanDerWaalsContact CE1-CD1 3.46Å; F305-I336 HydrophobicContact CE1-CG1 4.44Å; F305-I336 HydrophobicContact CZ-CD1 4.12Å; L306-I336 PolarHBondContact N-O 3.21Å; T334-I336 HydrophobicContact CG2-CD1 4.23Å; T334-I336 HydrophobicContact CG2-CG1 4.15Å
337	F	97.7	Very high	93.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.1	-177.7	60	-79.9	0	0	0	112.5	M172 N173 A174 L175 L306 P309 I335 I339 F350	M172-F337 HydrophobicContact CB-CE1 4.33Å; M172-F337 HydrophobicContact CE-CD1 4.14Å; M172-F337 HydrophobicContact CE-CE1 3.23Å; M172-F337 HydrophobicContact CE-CE2 4.48Å; M172-F337 HydrophobicContact CE-CZ 3.44Å; M172-F337 VanDerWaalsContact CE-CZ 3.44Å; M172-F337 HydrophobicContact SD-CE1 3.94Å; N173-F337 WeakPolarHBondContact O-CD1 3.39Å; N173-F337 WeakPolarHBondContact O-CE1 3.35Å; N173-F337 PolarHBondContact O-N 3.39Å; A174-F337 CarbonylContact C-O 3.45Å; A174-F337 WeakPolarHBondContact CA-O 3.31Å; A174-F337 HydrophobicContact CB-CE1 4.42Å; A174-F337 HydrophobicContact CB-CE2 3.91Å; A174-F337 HydrophobicContact CB-CZ 3.77Å; L175-F337 PolarHBondContact N-O 3.04Å; L306-F337 HydrophobicContact CB-CB 3.86Å; L306-F337 HydrophobicContact CD1-CB 4.14Å; L306-F337 CarbonylContact O-C 3.57Å; L306-F337 WeakPolarHBondContact O-CA 3.21Å; L306-F337 WeakPolarHBondContact O-CB 3.49Å; P309-F337 HydrophobicContact CG-CB 4.16Å; P309-F337 HydrophobicContact CG-CD2 4.31Å; P309-F337 HydrophobicContact CG-CG 4.5Å; I335-F337 HydrophobicContact CG2-CD1 4.04Å; F337-I339 HydrophobicContact CD2-CB 4.26Å; F337-I339 HydrophobicContact CE2-CB 4.32Å; F337-I339 HydrophobicContact CE2-CD1 4.41Å; F337-I339 HydrophobicContact CE2-CG2 4.27Å; F337-F350 HydrophobicContact CE2-CD1 4.29Å; F337-F350 AromaticContact CE2-CE1 3.66Å; F337-F350 HydrophobicContact CE2-CE1 3.66Å; F337-F350 AromaticContact CE2-CZ 3.96Å; F337-F350 HydrophobicContact CE2-CZ 3.96Å; F337-F350 AromaticContact CZ-CD1 3.65Å; F337-F350 HydrophobicContact CZ-CD1 3.65Å; F337-F350 AromaticContact CZ-CE1 3.47Å; F337-F350 HydrophobicContact CZ-CE1 3.47Å; F337-F350 VanDerWaalsContact CZ-CE1 3.47Å; F337-F350 HydrophobicContact CZ-CG 4.47Å; F337-F350 HydrophobicContact CZ-CZ 4.15Å
338	S	97.1	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	143.5	167.7	52	0	0	0	0	109.9	L175 L306 D307 E308 P309	L175-S338 CarbonylContact O-C 3.52Å; L175-S338 WeakPolarHBondContact O-CA 2.8Å; L306-S338 PolarHBondContact O-N 3.32Å; D307-S338 WeakPolarHBondContact CA-OG 3.29Å; D307-S338 PolarHBondContact OD1-OG 2.79Å; E308-S338 VanDerWaalsContact CA-O 3.29Å; E308-S338 WeakPolarHBondContact CA-O 3.48Å; E308-S338 PolarHBondContact N-O 3.1Å; E308-S338 PolarHBondContact N-OG 2.95Å; P309-S338 WeakPolarHBondContact CD-O 3.5Å
339	I	94.8	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.			trans	-146.2	145.5	173.7	-165.3	155.2	0	0	0	110.6	A174 L175 M176 T310 F337 P342 I346 F350	A174-I339 HydrophobicContact CB-CG2 4.48Å; L175-I339 PolarHBondContact O-N 3.19Å; M176-I339 HydrophobicContact CG-CG2 4.23Å; M176-I339 VanDerWaalsContact CG-O 3.31Å; M176-I339 WeakPolarHBondContact CG-O 3.06Å; T310-I339 HydrophobicContact CG2-CD1 3.91Å; F337-I339 HydrophobicContact CD2-CB 4.26Å; F337-I339 HydrophobicContact CE2-CB 4.32Å; F337-I339 HydrophobicContact CE2-CD1 4.41Å; F337-I339 HydrophobicContact CE2-CG2 4.27Å; I339-P342 HydrophobicContact CD1-CB 3.77Å; I339-P342 HydrophobicContact CD1-CG 4.38Å; I339-P342 HydrophobicContact CG1-CB 4.13Å; I339-P342 HydrophobicContact CG1-CG 4.39Å; I339-P342 HydrophobicContact CG2-CG 4.17Å; I339-I346 HydrophobicContact CD1-CG2 3.93Å; I339-F350 HydrophobicContact CD1-CZ 4.25Å; I339-F350 HydrophobicContact CG2-CE2 4.21Å; I339-F350 HydrophobicContact CG2-CZ 4.01Å
340	H	87.1	Confident	94	Very high	60 Å²	60	42.6 Å²	42.6	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	-111.5	125	175.3	-168.5	-81.7	0	0	0	109.3
341	Q	88	Confident	94.2	Very high	86 Å²	86	37 Å²	37	40%	0.402	18%	0.176	S	C	.	.	S	Bend	trans	39	65.5	174.8	-69.6	172.8	-25	0	0	115.4	M393	Q341-M393 HydrophobicContact CG-CG 4.04Å
342	P	94.5	Very high	94.7	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.032	17%	0.165	C	C	.	.			trans	-71.7	146.5	178	28.2	-33.3	0	0	0	112.6	M176 I339 I346 F350 N387 P389	M176-P342 HydrophobicContact SD-CG 4.18Å; I339-P342 HydrophobicContact CD1-CB 3.77Å; I339-P342 HydrophobicContact CD1-CG 4.38Å; I339-P342 HydrophobicContact CG1-CB 4.13Å; I339-P342 HydrophobicContact CG1-CG 4.39Å; I339-P342 HydrophobicContact CG2-CG 4.17Å; P342-I346 HydrophobicContact CB-CB 4.08Å; P342-I346 HydrophobicContact CB-CG2 3.63Å; P342-F350 HydrophobicContact CB-CZ 4.28Å; P342-F350 HydrophobicContact CG-CE2 4.05Å; P342-F350 HydrophobicContact CG-CZ 4.05Å; P342-N387 PolarHBondContact O-ND2 3.38Å; P342-P389 HydrophobicContact CG-CB 3.93Å; P342-P389 HydrophobicContact CG-CG 3.92Å
343	K	93.4	Very high	95.1	Very high	119 Å²	119	32.6 Å²	32.6	52%	0.517	15%	0.154	S	C	.	.			trans	-58.4	152.2	165.9	-68.3	-164.1	175.9	-174.4	0	111.4	A315 S345 I346 Y347	A315-K343 HydrophobicContact CB-CD 3.76Å; K343-S345 PolarHBondContact O-N 3.29Å; K343-S345 VanDerWaalsContact O-N 3.1Å; K343-I346 WeakPolarHBondContact O-CA 3.37Å; K343-I346 WeakPolarHBondContact O-CB 3.44Å; K343-I346 PolarHBondContact O-N 2.96Å; K343-Y347 PolarHBondContact O-N 3.42Å
344	Y	94.1	Very high	95.4	Very high	137 Å²	137	32.5 Å²	32.5	54%	0.537	15%	0.154	S	C	.	.	H	α-helix	trans	-50.6	-39.4	176.2	-177.4	-108.9	0	0	0	113.9	I346 Y347 K348 N387 P388	Y344-I346 PolarHBondContact O-N 3.13Å; Y344-Y347 HydrophobicContact CD2-CD1 4.34Å; Y344-Y347 HydrophobicContact CE2-CD1 4.45Å; Y344-Y347 PolarHBondContact O-N 3.26Å; Y344-K348 PolarHBondContact O-N 3.48Å; Y344-N387 VanDerWaalsContact CA-OD1 3.22Å; Y344-N387 WeakPolarHBondContact CA-OD1 3.5Å; Y344-N387 WeakPolarHBondContact CB-OD1 3.22Å; Y344-N387 PolarHBondContact N-OD1 2.88Å; Y344-N387 VanDerWaalsContact N-OD1 3.09Å; Y344-P388 HydrophobicContact CD2-CG 4.39Å; Y344-P388 HydrophobicContact CE2-CG 4.38Å
345	S	94.7	Very high	95.5	Very high	59 Å²	59	32.5 Å²	32.5	41%	0.413	15%	0.154	S	C	.	.	H	α-helix	trans	-62.5	-26.8	179.1	60.3	0	0	0	0	113.8	K343 K348	K343-S345 PolarHBondContact O-N 3.29Å; K343-S345 VanDerWaalsContact O-N 3.1Å; S345-K348 WeakPolarHBondContact O-CE 3.46Å; S345-K348 WeakPolarHBondContact O-CG 3.43Å
346	I	96.3	Very high	95.4	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-85.1	-47.7	173.8	-72.8	171.9	0	0	0	109.5	A318 V322 I339 P342 K343 Y344 K348 L349 F350	A318-I346 HydrophobicContact CB-CD1 4.04Å; V322-I346 HydrophobicContact CB-CG2 4.36Å; V322-I346 HydrophobicContact CG1-CG2 4.12Å; V322-I346 HydrophobicContact CG2-CD1 4.45Å; V322-I346 HydrophobicContact CG2-CG1 4.39Å; V322-I346 HydrophobicContact CG2-CG2 3.96Å; I339-I346 HydrophobicContact CD1-CG2 3.93Å; P342-I346 HydrophobicContact CB-CB 4.08Å; P342-I346 HydrophobicContact CB-CG2 3.63Å; K343-I346 WeakPolarHBondContact O-CA 3.37Å; K343-I346 WeakPolarHBondContact O-CB 3.44Å; K343-I346 PolarHBondContact O-N 2.96Å; Y344-I346 PolarHBondContact O-N 3.13Å; I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.24Å; I346-L349 VanDerWaalsContact O-CB 3.28Å; I346-L349 WeakPolarHBondContact O-CB 3.27Å; I346-L349 PolarHBondContact O-N 3.18Å; I346-F350 HydrophobicContact CG2-CE1 3.74Å; I346-F350 HydrophobicContact CG2-CZ 3.76Å; I346-F350 WeakPolarHBondContact O-CE1 3.37Å
347	Y	96.3	Very high	95.3	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-54.5	-40.9	-178.5	174.7	-113.3	0	0	0	113.3	K343 Y344 L349 F350 L353 K368 P388 P389 F392	K343-Y347 PolarHBondContact O-N 3.42Å; Y344-Y347 HydrophobicContact CD2-CD1 4.34Å; Y344-Y347 HydrophobicContact CE2-CD1 4.45Å; Y344-Y347 PolarHBondContact O-N 3.26Å; Y347-L349 PolarHBondContact O-N 3.05Å; Y347-F350 AromaticContact CD2-CD2 3.65Å; Y347-F350 HydrophobicContact CD2-CD2 3.65Å; Y347-F350 AromaticContact CD2-CE2 3.86Å; Y347-F350 HydrophobicContact CD2-CE2 3.86Å; Y347-F350 HydrophobicContact CE2-CD2 4.22Å; Y347-F350 WeakPolarHBondContact O-CB 3.49Å; Y347-F350 WeakPolarHBondContact O-CG 3.39Å; Y347-F350 PolarHBondContact O-N 3.5Å; Y347-F350 VanDerWaalsContact O-N 3.09Å; Y347-L353 HydrophobicContact CE2-CD2 4.21Å; Y347-K368 WeakPolarHBondContact OH-CA 3.5Å; Y347-K368 PolarHBondContact OH-N 2.97Å; Y347-K368 PolarHBondContact OH-O 2.88Å; Y347-P388 HydrophobicContact CD1-CB 4.34Å; Y347-P388 HydrophobicContact CD1-CG 4.35Å; Y347-P388 HydrophobicContact CE1-CB 3.84Å; Y347-P388 HydrophobicContact CE1-CG 4.06Å; Y347-P389 HydrophobicContact CD1-CG 4.17Å; Y347-P389 HydrophobicContact CD2-CG 3.6Å; Y347-P389 HydrophobicContact CE2-CG 4.31Å; Y347-P389 HydrophobicContact CG-CG 3.51Å; Y347-F392 HydrophobicContact CE2-CE2 4.15Å; Y347-F392 AromaticContact CZ-CE2 3.97Å
348	K	95.4	Very high	95	Very high	112 Å²	112	38.4 Å²	38.4	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.7	179	70.2	179.7	-175.4	177.6	0	114.5	Y344 S345 I346 K368	Y344-K348 PolarHBondContact O-N 3.48Å; S345-K348 WeakPolarHBondContact O-CE 3.46Å; S345-K348 WeakPolarHBondContact O-CG 3.43Å; I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.24Å; K348-K368 VanDerWaalsContact O-CE 3.29Å; K348-K368 WeakPolarHBondContact O-CE 3.32Å
349	L	96.8	Very high	94.9	Very high	34 Å²	34	38.4 Å²	38.4	18%	0.178	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.5	179.9	-59.7	178.1	0	0	0	113.1	V322 K323 K326 I346 Y347	V322-L349 HydrophobicContact CB-CD1 4.42Å; V322-L349 HydrophobicContact CG1-CB 4.37Å; V322-L349 HydrophobicContact CG1-CD1 3.79Å; K323-L349 HydrophobicContact CG-CD1 4.12Å; K326-L349 WeakPolarHBondContact CD-O 3.24Å; K326-L349 WeakPolarHBondContact CE-O 3.46Å; K326-L349 HydrophobicContact CG-CD2 4.41Å; K326-L349 PolarHBondContact NZ-O 3.37Å; I346-L349 VanDerWaalsContact O-CB 3.28Å; I346-L349 WeakPolarHBondContact O-CB 3.27Å; I346-L349 PolarHBondContact O-N 3.18Å; Y347-L349 PolarHBondContact O-N 3.05Å
350	F	97.2	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.			trans	-71	143.1	-177.3	-55.7	-11.6	0	0	0	110.9	A174 V322 F337 I339 P342 I346 Y347 A367 K368	A174-F350 HydrophobicContact CB-CD1 4.31Å; A174-F350 HydrophobicContact CB-CD2 3.53Å; A174-F350 HydrophobicContact CB-CE1 4.44Å; A174-F350 HydrophobicContact CB-CE2 3.67Å; A174-F350 HydrophobicContact CB-CG 3.88Å; A174-F350 HydrophobicContact CB-CZ 4.14Å; V322-F350 HydrophobicContact CG1-CE1 4.5Å; F337-F350 HydrophobicContact CE2-CD1 4.29Å; F337-F350 AromaticContact CE2-CE1 3.66Å; F337-F350 HydrophobicContact CE2-CE1 3.66Å; F337-F350 AromaticContact CE2-CZ 3.96Å; F337-F350 HydrophobicContact CE2-CZ 3.96Å; F337-F350 AromaticContact CZ-CD1 3.65Å; F337-F350 HydrophobicContact CZ-CD1 3.65Å; F337-F350 AromaticContact CZ-CE1 3.47Å; F337-F350 HydrophobicContact CZ-CE1 3.47Å; F337-F350 VanDerWaalsContact CZ-CE1 3.47Å; F337-F350 HydrophobicContact CZ-CG 4.47Å; F337-F350 HydrophobicContact CZ-CZ 4.15Å; I339-F350 HydrophobicContact CD1-CZ 4.25Å; I339-F350 HydrophobicContact CG2-CE2 4.21Å; I339-F350 HydrophobicContact CG2-CZ 4.01Å; P342-F350 HydrophobicContact CB-CZ 4.28Å; P342-F350 HydrophobicContact CG-CE2 4.05Å; P342-F350 HydrophobicContact CG-CZ 4.05Å; I346-F350 HydrophobicContact CG2-CE1 3.74Å; I346-F350 HydrophobicContact CG2-CZ 3.76Å; I346-F350 WeakPolarHBondContact O-CE1 3.37Å; Y347-F350 AromaticContact CD2-CD2 3.65Å; Y347-F350 HydrophobicContact CD2-CD2 3.65Å; Y347-F350 AromaticContact CD2-CE2 3.86Å; Y347-F350 HydrophobicContact CD2-CE2 3.86Å; Y347-F350 HydrophobicContact CE2-CD2 4.22Å; Y347-F350 WeakPolarHBondContact O-CB 3.49Å; Y347-F350 WeakPolarHBondContact O-CG 3.39Å; Y347-F350 PolarHBondContact O-N 3.5Å; Y347-F350 VanDerWaalsContact O-N 3.09Å; F350-A367 HydrophobicContact CB-CB 3.69Å; F350-K368 WeakPolarHBondContact O-CE 3.48Å
351	D	97.1	Very high	95.4	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	18%	0.175	S	C	.	.	S	Bend	trans	-97.5	-46.6	173.2	-60.7	-48.1	0	0	0	109.9	M172 K326 A367	M172-D351 PolarHBondContact N-OD2 2.91Å; M172-D351 WeakPolarHBondContact O-CB 3.38Å; M172-D351 PolarHBondContact O-N 2.89Å; K326-D351 IonicContact NZ-OD1 3.63Å; K326-D351 PolarHBondContact NZ-OD1 3.45Å; K326-D351 IonicContact NZ-OD2 3.16Å; K326-D351 PolarHBondContact NZ-OD2 3.29Å; D351-A367 PolarHBondContact O-N 3.44Å
352	T	97.4	Very high	95.7	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.7	177.4	-44.9	0	0	0	0	109.9	M172 N173 A174 G365	M172-T352 PolarHBondContact O-N 2.66Å; N173-T352 VanDerWaalsContact OD1-CB 3.24Å; N173-T352 WeakPolarHBondContact OD1-CB 3.44Å; N173-T352 PolarHBondContact OD1-OG1 3.27Å; A174-T352 PolarHBondContact N-O 3.05Å; T352-G365 CarbonylContact C-O 3.58Å; T352-G365 VanDerWaalsContact CA-O 3.3Å; T352-G365 WeakPolarHBondContact CA-O 3.31Å; T352-G365 WeakPolarHBondContact CG2-O 3.33Å
353	L	97.7	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132	172.7	-179.6	68.8	0	0	0	109.5	A174 M176 Y347 L355 Y363 H364 G365 A367 P371 F392	A174-L353 HydrophobicContact CB-CD1 4.19Å; M176-L353 HydrophobicContact CB-CD1 4.09Å; Y347-L353 HydrophobicContact CE2-CD2 4.21Å; L353-L355 HydrophobicContact CD1-CD2 4.07Å; L353-L355 HydrophobicContact CD2-CD1 4.42Å; L353-L355 HydrophobicContact CD2-CD2 3.95Å; L353-L355 HydrophobicContact CD2-CG 4.06Å; L353-L355 HydrophobicContact CG-CD2 4.02Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L353-Y363 HydrophobicContact CB-CE1 4.25Å; L353-Y363 HydrophobicContact CD2-CD1 4.4Å; L353-Y363 HydrophobicContact CD2-CE1 4.5Å; L353-Y363 HydrophobicContact CG-CD1 4.49Å; L353-H364 WeakPolarHBondContact O-CA 3.32Å; L353-G365 PolarHBondContact N-O 2.84Å; L353-G365 PolarHBondContact O-N 3.46Å; L353-A367 HydrophobicContact CB-CB 4.05Å; L353-P371 HydrophobicContact CD2-CB 4.16Å; L353-P371 HydrophobicContact CD2-CG 3.8Å; L353-F392 HydrophobicContact CD2-CD2 4.17Å; L353-F392 HydrophobicContact CD2-CE2 3.93Å
354	T	97.7	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.2	167.8	-48	0	0	0	0	108.4	A174 L175 M176 I356 I361 Y363 H364	A174-T354 PolarHBondContact O-N 2.95Å; L175-T354 WeakPolarHBondContact CA-O 3.44Å; L175-T354 HydrophobicContact CD2-CG2 4.13Å; M176-T354 PolarHBondContact N-O 3.24Å; T354-I356 HydrophobicContact CG2-CD1 4.37Å; T354-I356 HydrophobicContact CG2-CG1 4.11Å; T354-I361 HydrophobicContact CG2-CD1 4.31Å; T354-I361 HydrophobicContact CG2-CG1 4.26Å; T354-Y363 CarbonylContact C-O 3.54Å; T354-Y363 WeakPolarHBondContact CA-O 3.17Å; T354-H364 HydrophobicContact CG2-CB 4.29Å; T354-H364 PolarHBondContact OG1-ND1 3.36Å
355	L	97	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.6	173.8	-62.1	-177.5	0	0	0	109.4	M176 L353 I362 Y363 F375 F392	M176-L355 HydrophobicContact CB-CD2 3.7Å; M176-L355 HydrophobicContact CE-CD2 4.4Å; M176-L355 CarbonylContact O-C 3.53Å; M176-L355 WeakPolarHBondContact O-CA 3.23Å; L353-L355 HydrophobicContact CD1-CD2 4.07Å; L353-L355 HydrophobicContact CD2-CD1 4.42Å; L353-L355 HydrophobicContact CD2-CD2 3.95Å; L353-L355 HydrophobicContact CD2-CG 4.06Å; L353-L355 HydrophobicContact CG-CD2 4.02Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L355-I362 HydrophobicContact CB-CD1 3.77Å; L355-I362 HydrophobicContact CB-CG1 3.34Å; L355-I362 HydrophobicContact CD1-CD1 4.28Å; L355-I362 HydrophobicContact CD1-CG1 4.36Å; L355-I362 HydrophobicContact CG-CG1 4.48Å; L355-I362 PolarHBondContact O-N 2.99Å; L355-Y363 PolarHBondContact N-O 2.83Å; L355-F375 HydrophobicContact CD1-CE2 3.62Å; L355-F375 HydrophobicContact CD1-CZ 3.78Å; L355-F392 HydrophobicContact CD1-CB 4.05Å; L355-F392 HydrophobicContact CD1-CD2 4.32Å; L355-F392 HydrophobicContact CD1-CG 4.12Å
356	I	95.6	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.2	-176.9	-63.1	175.7	0	0	0	110	M176 G177 S181 L186 T354 Q360 I361	M176-I356 PolarHBondContact O-N 3.39Å; G177-I356 WeakPolarHBondContact CA-O 3.47Å; S181-I356 WeakPolarHBondContact CB-O 3.32Å; S181-I356 WeakPolarHBondContact O-CG2 3.3Å; L186-I356 HydrophobicContact CB-CD1 4.33Å; L186-I356 HydrophobicContact CD2-CD1 3.37Å; L186-I356 HydrophobicContact CG-CD1 4.48Å; T354-I356 HydrophobicContact CG2-CD1 4.37Å; T354-I356 HydrophobicContact CG2-CG1 4.11Å; I356-Q360 CarbonylContact C-O 3.46Å; I356-Q360 VanDerWaalsContact CA-O 3.3Å; I356-Q360 WeakPolarHBondContact CA-O 3.38Å; I356-Q360 WeakPolarHBondContact CG2-O 3.3Å; I356-I361 HydrophobicContact CG1-CG1 4.45Å
357	Y	94.9	Very high	96.2	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128	172	-178.9	-101.1	0	0	0	109.9	P178 G359 Q360 I396 M422 H423 I430	P178-Y357 HydrophobicContact CG-CD2 4.23Å; Y357-G359 PolarHBondContact O-N 3.47Å; Y357-Q360 PolarHBondContact N-O 3.17Å; Y357-Q360 PolarHBondContact O-N 2.94Å; Y357-I396 HydrophobicContact CD2-CG2 3.46Å; Y357-I396 VanDerWaalsContact CD2-CG2 3.46Å; Y357-I396 HydrophobicContact CE2-CG2 3.89Å; Y357-I396 HydrophobicContact CG-CG2 4.3Å; Y357-M422 HydrophobicContact CE2-CE 4.18Å; Y357-M422 HydrophobicContact CE2-CG 3.82Å; Y357-M422 HydrophobicContact CE2-SD 4.12Å; Y357-M422 PolarHBondContact OH-O 2.98Å; Y357-M422 VanDerWaalsContact OH-O 3.07Å; Y357-H423 VanDerWaalsContact OH-CA 3.3Å; Y357-H423 WeakPolarHBondContact OH-CA 3.38Å; Y357-I430 HydrophobicContact CD1-CD1 3.99Å
358	R	92.8	Very high	96.1	Very high	121 Å²	121	30.5 Å²	30.5	46%	0.457	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	44.1	-179.7	-69.5	-170.9	175.6	-162.6	2.4	114.8	Q360 H423	R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-H423 PolarHBondContact NH1-CE1 2.74Å; R358-H423 PolarHBondContact NH1-ND1 2.93Å; R358-H423 VanDerWaalsContact NH1-ND1 3.2Å; R358-H423 PolarHBondContact NH1-NE2 3.17Å
359	G	93.5	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	1.2	175.8	0	0	0	0	0	115.7	I160 L161 D162 V164 S181 Y357	I160-G359 WeakPolarHBondContact O-CA 3.49Å; L161-G359 WeakPolarHBondContact CA-O 3.47Å; D162-G359 PolarHBondContact N-O 2.94Å; V164-G359 WeakPolarHBondContact CG1-O 3.48Å; S181-G359 WeakPolarHBondContact O-CA 3.27Å; S181-G359 PolarHBondContact O-N 3.16Å; Y357-G359 PolarHBondContact O-N 3.47Å
360	Q	96.1	Very high	95.9	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.3	-179.3	-66.4	176.9	-11	0	0	110.8	D162 I356 Y357 R358 I430	D162-Q360 HydrophobicContact CB-CG 3.85Å; D162-Q360 PolarHBondContact OD2-NE2 2.88Å; I356-Q360 CarbonylContact C-O 3.46Å; I356-Q360 VanDerWaalsContact CA-O 3.3Å; I356-Q360 WeakPolarHBondContact CA-O 3.38Å; I356-Q360 WeakPolarHBondContact CG2-O 3.3Å; Y357-Q360 PolarHBondContact N-O 3.17Å; Y357-Q360 PolarHBondContact O-N 2.94Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; Q360-I430 HydrophobicContact CB-CD1 4.1Å; Q360-I430 HydrophobicContact CB-CG1 4.05Å; Q360-I430 HydrophobicContact CB-CG2 4.46Å
361	I	96.5	Very high	95.8	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.6	-179.4	-65.7	173.5	0	0	0	109.6	F138 V164 S165 T354 I356 H364 W433	F138-I361 HydrophobicContact CE2-CD1 4.08Å; F138-I361 HydrophobicContact CZ-CD1 4.44Å; V164-I361 HydrophobicContact CB-CD1 3.98Å; V164-I361 HydrophobicContact CB-CG1 4.16Å; V164-I361 HydrophobicContact CG1-CD1 4.4Å; V164-I361 HydrophobicContact CG1-CG1 4.02Å; S165-I361 VanDerWaalsContact O-CD1 3.24Å; S165-I361 WeakPolarHBondContact O-CD1 3.19Å; T354-I361 HydrophobicContact CG2-CD1 4.31Å; T354-I361 HydrophobicContact CG2-CG1 4.26Å; I356-I361 HydrophobicContact CG1-CG1 4.45Å; I361-H364 HydrophobicContact CG2-CB 3.85Å; I361-W433 HydrophobicContact CG2-CD2 4.4Å; I361-W433 HydrophobicContact CG2-CG 4.46Å; I361-W433 HydrophobicContact CG2-CZ2 4.3Å
362	I	95.8	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-17.8	171.4	67.7	176.9	0	0	0	112.6	L355 Y374 F375 I396 L429 I430 W433	L355-I362 HydrophobicContact CB-CD1 3.77Å; L355-I362 HydrophobicContact CB-CG1 3.34Å; L355-I362 HydrophobicContact CD1-CD1 4.28Å; L355-I362 HydrophobicContact CD1-CG1 4.36Å; L355-I362 HydrophobicContact CG-CG1 4.48Å; L355-I362 PolarHBondContact O-N 2.99Å; I362-Y374 WeakPolarHBondContact O-CE1 3.36Å; I362-Y374 PolarHBondContact O-OH 3.05Å; I362-F375 HydrophobicContact CD1-CZ 4.49Å; I362-I396 HydrophobicContact CD1-CD1 3.42Å; I362-I396 VanDerWaalsContact CD1-CD1 3.42Å; I362-I396 HydrophobicContact CD1-CG1 3.5Å; I362-L429 HydrophobicContact CB-CB 4.25Å; I362-L429 HydrophobicContact CD1-CD1 4.48Å; I362-L429 HydrophobicContact CG2-CB 4.06Å; I362-I430 HydrophobicContact CG2-CG1 3.97Å; I362-W433 WeakPolarHBondContact O-CB 3.24Å
363	Y	97.3	Very high	95.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	136.2	172.7	176.2	-94.3	0	0	0	110	L353 T354 L355 L366 E370 P371 Y374 W433 M438	L353-Y363 HydrophobicContact CB-CE1 4.25Å; L353-Y363 HydrophobicContact CD2-CD1 4.4Å; L353-Y363 HydrophobicContact CD2-CE1 4.5Å; L353-Y363 HydrophobicContact CG-CD1 4.49Å; T354-Y363 CarbonylContact C-O 3.54Å; T354-Y363 WeakPolarHBondContact CA-O 3.17Å; L355-Y363 PolarHBondContact N-O 2.83Å; Y363-L366 PolarHBondContact OH-O 3.41Å; Y363-E370 WeakPolarHBondContact OH-CB 3.33Å; Y363-P371 HydrophobicContact CD1-CB 4.18Å; Y363-P371 HydrophobicContact CD1-CG 4.3Å; Y363-P371 HydrophobicContact CE1-CB 3.83Å; Y363-P371 HydrophobicContact CE1-CG 3.55Å; Y363-P371 HydrophobicContact CE2-CB 4.24Å; Y363-Y374 AromaticContact CD2-CD1 3.54Å; Y363-Y374 HydrophobicContact CD2-CD1 3.54Å; Y363-Y374 HydrophobicContact CD2-CE1 4.07Å; Y363-Y374 AromaticContact CD2-CG 3.87Å; Y363-Y374 HydrophobicContact CD2-CG 3.87Å; Y363-Y374 HydrophobicContact CE2-CD1 4.29Å; Y363-Y374 HydrophobicContact CE2-CG 4.22Å; Y363-Y374 HydrophobicContact CG-CD1 4.35Å; Y363-W433 HydrophobicContact CD2-CE3 4.48Å; Y363-W433 AromaticContact CD2-CZ3 3.95Å; Y363-W433 HydrophobicContact CD2-CZ3 3.95Å; Y363-M438 HydrophobicContact CD2-CE 4.35Å; Y363-M438 HydrophobicContact CE2-CE 3.99Å; Y363-M438 HydrophobicContact CE2-SD 4.27Å
364	H	97.4	Very high	95.5	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	116.5	171	177.4	77.4	0	0	0	110.7	I167 L353 T354 I361 W433	I167-H364 PolarHBondContact N-NE2 3.33Å; I167-H364 PolarHBondContact O-CE1 2.97Å; I167-H364 PolarHBondContact O-NE2 3.31Å; I167-H364 VanDerWaalsContact O-NE2 3.12Å; L353-H364 WeakPolarHBondContact O-CA 3.32Å; T354-H364 HydrophobicContact CG2-CB 4.29Å; T354-H364 PolarHBondContact OG1-ND1 3.36Å; I361-H364 HydrophobicContact CG2-CB 3.85Å; H364-W433 HydrophobicContact CB-CH2 4.15Å; H364-W433 HydrophobicContact CB-CZ2 3.76Å; H364-W433 WeakPolarHBondContact O-CH2 3.07Å
365	G	96.4	Very high	95.3	Very high	20 Å²	20	40.2 Å²	40.2	21%	0.206	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172	-159	-178.5	0	0	0	0	0	113.5	T352 L353	T352-G365 CarbonylContact C-O 3.58Å; T352-G365 VanDerWaalsContact CA-O 3.3Å; T352-G365 WeakPolarHBondContact CA-O 3.31Å; T352-G365 WeakPolarHBondContact CG2-O 3.33Å; L353-G365 PolarHBondContact N-O 2.84Å; L353-G365 PolarHBondContact O-N 3.46Å
366	L	97	Very high	95.1	Very high	117 Å²	117	42 Å²	42	61%	0.613	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.6	176.7	-68.4	174.1	0	0	0	110.8	Y363 E370 P371	Y363-L366 PolarHBondContact OH-O 3.41Å; L366-E370 HydrophobicContact CB-CB 4.32Å; L366-E370 HydrophobicContact CB-CG 4.06Å; L366-P371 WeakPolarHBondContact O-CD 3.18Å
367	A	95.1	Very high	95	Very high	7 Å²	7	50.8 Å²	50.8	6%	0.058	24%	0.235	C	C	.	.			trans	-80.9	-166	175.5	0	0	0	0	0	111.8	F350 D351 L353 K369	F350-A367 HydrophobicContact CB-CB 3.69Å; D351-A367 PolarHBondContact O-N 3.44Å; L353-A367 HydrophobicContact CB-CB 4.05Å; A367-K369 PolarHBondContact O-N 3.47Å
368	K	93	Very high	94.8	Very high	101 Å²	101	52.2 Å²	52.2	44%	0.439	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-104.8	174.8	-51.5	168.4	-174.3	166.8	0	112.6	Y347 K348 F350	Y347-K368 WeakPolarHBondContact OH-CA 3.5Å; Y347-K368 PolarHBondContact OH-N 2.97Å; Y347-K368 PolarHBondContact OH-O 2.88Å; K348-K368 VanDerWaalsContact O-CE 3.29Å; K348-K368 WeakPolarHBondContact O-CE 3.32Å; F350-K368 WeakPolarHBondContact O-CE 3.48Å
369	K	93.2	Very high	94.7	Very high	152 Å²	152	47 Å²	47	66%	0.661	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-29	-171.5	-65	-172.8	179.8	-175.8	0	113.1	A367 I372 R373	A367-K369 PolarHBondContact O-N 3.47Å; K369-I372 PolarHBondContact O-N 2.64Å; K369-R373 WeakPolarHBondContact O-CG 3.29Å; K369-R373 PolarHBondContact O-N 2.97Å
370	E	95.3	Very high	94.7	Very high	56 Å²	56	47.2 Å²	47.2	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-41.7	-175.5	-65.6	-52.2	127.5	0	0	114.3	Y363 L366 I372 R373 Y374	Y363-E370 WeakPolarHBondContact OH-CB 3.33Å; L366-E370 HydrophobicContact CB-CB 4.32Å; L366-E370 HydrophobicContact CB-CG 4.06Å; E370-I372 VanDerWaalsContact C-N 3.31Å; E370-I372 PolarHBondContact O-N 3.35Å; E370-R373 WeakPolarHBondContact O-CB 3.48Å; E370-R373 PolarHBondContact O-N 3.39Å; E370-R373 IonicContact OE1-CZ 3.35Å; E370-R373 IonicContact OE1-NH1 2.94Å; E370-R373 PolarHBondContact OE1-NH1 3.49Å; E370-Y374 PolarHBondContact O-N 3.11Å
371	P	95.3	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-38.4	176.6	-12.6	24.5	0	0	0	111.2	L353 Y363 L366 R373 Y374 F375 F392	L353-P371 HydrophobicContact CD2-CB 4.16Å; L353-P371 HydrophobicContact CD2-CG 3.8Å; Y363-P371 HydrophobicContact CD1-CB 4.18Å; Y363-P371 HydrophobicContact CD1-CG 4.3Å; Y363-P371 HydrophobicContact CE1-CB 3.83Å; Y363-P371 HydrophobicContact CE1-CG 3.55Å; Y363-P371 HydrophobicContact CE2-CB 4.24Å; L366-P371 WeakPolarHBondContact O-CD 3.18Å; P371-R373 VanDerWaalsContact C-N 3.31Å; P371-R373 PolarHBondContact O-N 3.27Å; P371-Y374 WeakPolarHBondContact O-CB 3.36Å; P371-Y374 PolarHBondContact O-N 3.37Å; P371-F375 WeakPolarHBondContact O-CD2 3.39Å; P371-F375 PolarHBondContact O-N 3.28Å; P371-F392 HydrophobicContact CB-CE1 4.01Å; P371-F392 HydrophobicContact CB-CE2 4.09Å; P371-F392 HydrophobicContact CB-CZ 3.59Å; P371-F392 HydrophobicContact CG-CZ 4.3Å
372	I	94.6	Very high	94.1	Very high	52 Å²	52	49.8 Å²	49.8	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-41.9	176.4	-52.6	175.8	0	0	0	110.4	K369 E370 G376 C382 P388 F392	K369-I372 PolarHBondContact O-N 2.64Å; E370-I372 VanDerWaalsContact C-N 3.31Å; E370-I372 PolarHBondContact O-N 3.35Å; I372-G376 PolarHBondContact O-N 2.87Å; I372-C382 HydrophobicContact CG2-CB 4Å; I372-P388 HydrophobicContact CD1-CB 3.86Å; I372-P388 HydrophobicContact CD1-CG 3.75Å; I372-P388 HydrophobicContact CG1-CB 4.15Å; I372-F392 HydrophobicContact CG1-CE1 4.13Å; I372-F392 HydrophobicContact CG1-CZ 3.88Å
373	R	94.7	Very high	93.7	Very high	142 Å²	142	56.7 Å²	56.7	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-41.2	175.7	-72.7	171.9	168.9	-177.4	-10.2	112.2	K369 E370 P371 G376 R377	K369-R373 WeakPolarHBondContact O-CG 3.29Å; K369-R373 PolarHBondContact O-N 2.97Å; E370-R373 WeakPolarHBondContact O-CB 3.48Å; E370-R373 PolarHBondContact O-N 3.39Å; E370-R373 IonicContact OE1-CZ 3.35Å; E370-R373 IonicContact OE1-NH1 2.94Å; E370-R373 PolarHBondContact OE1-NH1 3.49Å; P371-R373 VanDerWaalsContact C-N 3.31Å; P371-R373 PolarHBondContact O-N 3.27Å; R373-G376 PolarHBondContact O-N 2.99Å; R373-R377 WeakPolarHBondContact O-CG 3.27Å; R373-R377 PolarHBondContact O-N 2.98Å
374	Y	95.9	Very high	93	Very high	10 Å²	10	63.6 Å²	63.6	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-54.7	176.1	169.5	-112.4	0	0	0	111.5	I362 Y363 E370 P371 G376 R377 L378 W433 M438	I362-Y374 WeakPolarHBondContact O-CE1 3.36Å; I362-Y374 PolarHBondContact O-OH 3.05Å; Y363-Y374 AromaticContact CD2-CD1 3.54Å; Y363-Y374 HydrophobicContact CD2-CD1 3.54Å; Y363-Y374 HydrophobicContact CD2-CE1 4.07Å; Y363-Y374 AromaticContact CD2-CG 3.87Å; Y363-Y374 HydrophobicContact CD2-CG 3.87Å; Y363-Y374 HydrophobicContact CE2-CD1 4.29Å; Y363-Y374 HydrophobicContact CE2-CG 4.22Å; Y363-Y374 HydrophobicContact CG-CD1 4.35Å; E370-Y374 PolarHBondContact O-N 3.11Å; P371-Y374 WeakPolarHBondContact O-CB 3.36Å; P371-Y374 PolarHBondContact O-N 3.37Å; Y374-G376 PolarHBondContact O-N 2.88Å; Y374-R377 WeakPolarHBondContact O-CB 3.12Å; Y374-R377 PolarHBondContact O-N 3Å; Y374-R377 VanDerWaalsContact O-N 3.09Å; Y374-L378 HydrophobicContact CD1-CD1 4.36Å; Y374-L378 HydrophobicContact CE1-CD1 3.76Å; Y374-L378 HydrophobicContact CE2-CD1 4.05Å; Y374-L378 HydrophobicContact CE2-CG 4.35Å; Y374-L378 PolarHBondContact O-N 2.86Å; Y374-W433 HydrophobicContact CE1-CE3 4.43Å; Y374-W433 HydrophobicContact CE2-CE3 4.23Å; Y374-W433 AromaticContact CZ-CE3 3.9Å; Y374-W433 VanDerWaalsContact OH-CA 3.23Å; Y374-W433 WeakPolarHBondContact OH-CA 3.44Å; Y374-W433 PolarHBondContact OH-N 3.24Å; Y374-M438 HydrophobicContact CD2-CE 3.08Å; Y374-M438 HydrophobicContact CE2-CE 3.85Å; Y374-M438 HydrophobicContact CG-CE 3.49Å; Y374-M438 VanDerWaalsContact CG-CE 3.49Å
375	F	94.7	Very high	92.4	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-33.2	176.4	-76.2	-73.1	0	0	0	112.2	L355 I362 P371 L378 G379 Y380 F391 F392 V395 L429	L355-F375 HydrophobicContact CD1-CE2 3.62Å; L355-F375 HydrophobicContact CD1-CZ 3.78Å; I362-F375 HydrophobicContact CD1-CZ 4.49Å; P371-F375 WeakPolarHBondContact O-CD2 3.39Å; P371-F375 PolarHBondContact O-N 3.28Å; F375-L378 HydrophobicContact CD1-CD1 4.45Å; F375-L378 CarbonylContact O-C 3.53Å; F375-L378 WeakPolarHBondContact O-CA 3.4Å; F375-L378 WeakPolarHBondContact O-CB 3.29Å; F375-L378 PolarHBondContact O-N 3.48Å; F375-L378 VanDerWaalsContact O-N 3.17Å; F375-G379 PolarHBondContact O-N 3.08Å; F375-Y380 CarbonylContact C-O 3.6Å; F375-Y380 HydrophobicContact CD1-CD2 4.06Å; F375-Y380 PolarHBondContact O-N 2.93Å; F375-F391 HydrophobicContact CB-CE1 3.96Å; F375-F391 HydrophobicContact CB-CZ 4.15Å; F375-F391 HydrophobicContact CG-CE1 4.35Å; F375-F392 AromaticContact CD2-CD1 3.58Å; F375-F392 HydrophobicContact CD2-CD1 3.58Å; F375-F392 AromaticContact CD2-CE1 3.76Å; F375-F392 HydrophobicContact CD2-CE1 3.76Å; F375-F392 AromaticContact CE2-CD1 3.62Å; F375-F392 HydrophobicContact CE2-CD1 3.62Å; F375-F392 HydrophobicContact CE2-CE1 4.11Å; F375-F392 HydrophobicContact CE2-CG 4.24Å; F375-V395 HydrophobicContact CD1-CG1 3.99Å; F375-V395 HydrophobicContact CE1-CG1 3.87Å; F375-L429 HydrophobicContact CD1-CD2 4.42Å; F375-L429 HydrophobicContact CE1-CD1 4.49Å; F375-L429 HydrophobicContact CE1-CD2 3.91Å
376	G	93	Very high	92.1	Very high	39 Å²	39	74.6 Å²	74.6	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-43.1	171.7	0	0	0	0	0	113.7	I372 R373 Y374 L378 G379 Y380	I372-G376 PolarHBondContact O-N 2.87Å; R373-G376 PolarHBondContact O-N 2.99Å; Y374-G376 PolarHBondContact O-N 2.88Å; G376-L378 PolarHBondContact O-N 3.36Å; G376-G379 PolarHBondContact O-N 3.2Å; G376-Y380 VanDerWaalsContact CA-O 3.29Å; G376-Y380 WeakPolarHBondContact CA-O 3.31Å; G376-Y380 PolarHBondContact N-O 3.37Å
377	R	92.3	Very high	91.9	Very high	183 Å²	183	70.2 Å²	70.2	69%	0.691	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-30.3	174.6	-68.8	178.5	-166.2	178	4.1	112.4	R373 Y374 G379	R373-R377 WeakPolarHBondContact O-CG 3.27Å; R373-R377 PolarHBondContact O-N 2.98Å; Y374-R377 WeakPolarHBondContact O-CB 3.12Å; Y374-R377 PolarHBondContact O-N 3Å; Y374-R377 VanDerWaalsContact O-N 3.09Å; R377-G379 PolarHBondContact O-N 3.31Å
378	L	91.5	Very high	91.9	Very high	34 Å²	34	70.2 Å²	70.2	18%	0.178	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.8	173.6	-66.3	-175.2	0	0	0	113.4	Y374 F375 G376 Y380 R402 L429 D432	Y374-L378 HydrophobicContact CD1-CD1 4.36Å; Y374-L378 HydrophobicContact CE1-CD1 3.76Å; Y374-L378 HydrophobicContact CE2-CD1 4.05Å; Y374-L378 HydrophobicContact CE2-CG 4.35Å; Y374-L378 PolarHBondContact O-N 2.86Å; F375-L378 HydrophobicContact CD1-CD1 4.45Å; F375-L378 CarbonylContact O-C 3.53Å; F375-L378 WeakPolarHBondContact O-CA 3.4Å; F375-L378 WeakPolarHBondContact O-CB 3.29Å; F375-L378 PolarHBondContact O-N 3.48Å; F375-L378 VanDerWaalsContact O-N 3.17Å; G376-L378 PolarHBondContact O-N 3.36Å; L378-Y380 HydrophobicContact CB-CD2 3.96Å; L378-Y380 HydrophobicContact CB-CE2 4.24Å; L378-R402 PolarHBondContact O-NE 2.95Å; L378-L429 HydrophobicContact CD1-CD2 4.12Å; L378-D432 HydrophobicContact CD1-CB 4.13Å; L378-D432 HydrophobicContact CD2-CB 3.83Å
379	G	91.1	Very high	92	Very high	12 Å²	12	65.4 Å²	65.4	12%	0.124	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	7.9	177.8	0	0	0	0	0	115.3	F375 G376 R377 Q403	F375-G379 PolarHBondContact O-N 3.08Å; G376-G379 PolarHBondContact O-N 3.2Å; R377-G379 PolarHBondContact O-N 3.31Å; G379-Q403 PolarHBondContact O-N 3.23Å
380	Y	92.1	Very high	92.1	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.012	30%	0.301	C	S	.	.			trans	-94.1	125.8	173.9	-60.4	-78.1	0	0	0	110.8	F375 G376 L378 V395 C400 R402 L429	F375-Y380 CarbonylContact C-O 3.6Å; F375-Y380 HydrophobicContact CD1-CD2 4.06Å; F375-Y380 PolarHBondContact O-N 2.93Å; G376-Y380 VanDerWaalsContact CA-O 3.29Å; G376-Y380 WeakPolarHBondContact CA-O 3.31Å; G376-Y380 PolarHBondContact N-O 3.37Å; L378-Y380 HydrophobicContact CB-CD2 3.96Å; L378-Y380 HydrophobicContact CB-CE2 4.24Å; Y380-V395 HydrophobicContact CD1-CG1 4.04Å; Y380-V395 HydrophobicContact CD1-CG2 3.95Å; Y380-V395 HydrophobicContact CD2-CG1 4.07Å; Y380-V395 HydrophobicContact CE1-CG1 3.95Å; Y380-V395 HydrophobicContact CE2-CG1 3.97Å; Y380-V395 HydrophobicContact CG-CG1 4.09Å; Y380-V395 HydrophobicContact CG-CG2 4.06Å; Y380-C400 HydrophobicContact CD1-CB 4.35Å; Y380-C400 WeakPolarHBondContact CE1-O 3.36Å; Y380-R402 HydrophobicContact CD1-CG 3.99Å; Y380-R402 HydrophobicContact CD2-CG 4.27Å; Y380-R402 HydrophobicContact CE1-CB 4.47Å; Y380-R402 HydrophobicContact CE1-CG 3.43Å; Y380-R402 VanDerWaalsContact CE1-CG 3.43Å; Y380-R402 HydrophobicContact CE2-CG 3.76Å; Y380-R402 HydrophobicContact CG-CG 4.38Å; Y380-L429 HydrophobicContact CE2-CD2 3.85Å
381	V	90	Very high	92	Very high	82 Å²	82	57.9 Å²	57.9	50%	0.497	29%	0.289	S	S	.	.			trans	-104.5	120.3	-178.8	-178.1	0	0	0	0	109.8	F391 Q403	V381-F391 WeakPolarHBondContact O-CE2 3.33Å; V381-Q403 HydrophobicContact CG2-CG 4.48Å
382	C	89.8	Confident	92	Very high	26 Å²	26	57.9 Å²	57.9	18%	0.176	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-80	118	169.5	-177.4	0	0	0	0	108.9	I372 F391	I372-C382 HydrophobicContact CG2-CB 4Å; C382-F391 HydrophobicContact CB-CD1 3.78Å; C382-F391 HydrophobicContact CB-CD2 4.01Å; C382-F391 HydrophobicContact CB-CE1 3.86Å; C382-F391 HydrophobicContact CB-CE2 4.07Å; C382-F391 HydrophobicContact CB-CG 3.85Å; C382-F391 HydrophobicContact CB-CZ 3.99Å
383	E	87.5	Confident	92	Very high	146 Å²	146	55.4 Å²	55.4	68%	0.682	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-61.3	150.5	177.2	-65.4	-174.7	173.7	0	0	112.4	H385 N386	E383-H385 PolarHBondContact O-N 2.9Å; E383-N386 HydrophobicContact CB-CB 4.36Å; E383-N386 PolarHBondContact O-N 3.18Å
384	N	82.4	Confident	91.8	Very high	147 Å²	147	50.3 Å²	50.3	79%	0.786	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	134.3	173.1	-70.6	-30.2	0	0	0	109.2	N386	N384-N386 VanDerWaalsContact C-N 3.27Å; N384-N386 PolarHBondContact O-N 3.46Å
385	H	85.5	Confident	91.6	Very high	198 Å²	198	49.8 Å²	49.8	92%	0.917	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-3.8	-175.5	-45.1	-72.2	0	0	0	116.4	E383	E383-H385 PolarHBondContact O-N 2.9Å
386	N	90	Very high	91.5	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	26%	0.258	S	S	.	.			trans	-73.4	149	170.4	-158.5	5.6	0	0	0	111	E383 N384 P388	E383-N386 HydrophobicContact CB-CB 4.36Å; E383-N386 PolarHBondContact O-N 3.18Å; N384-N386 VanDerWaalsContact C-N 3.27Å; N384-N386 PolarHBondContact O-N 3.46Å; N386-P388 WeakPolarHBondContact O-CD 3.38Å
387	N	93.6	Very high	91.3	Very high	24 Å²	24	50.2 Å²	50.2	13%	0.128	25%	0.249	C	C	.	.			trans	-79.2	117.6	176.9	-175.5	29.5	0	0	0	108.7	P342 Y344 P389 D390 F391	P342-N387 PolarHBondContact O-ND2 3.38Å; Y344-N387 VanDerWaalsContact CA-OD1 3.22Å; Y344-N387 WeakPolarHBondContact CA-OD1 3.5Å; Y344-N387 WeakPolarHBondContact CB-OD1 3.22Å; Y344-N387 PolarHBondContact N-OD1 2.88Å; Y344-N387 VanDerWaalsContact N-OD1 3.09Å; N387-P389 VanDerWaalsContact OD1-CD 3.24Å; N387-P389 WeakPolarHBondContact OD1-CD 3.49Å; N387-D390 HydrophobicContact CB-CB 4.2Å; N387-D390 VanDerWaalsContact CB-OD2 3.23Å; N387-D390 WeakPolarHBondContact CB-OD2 3.26Å; N387-D390 VanDerWaalsContact ND2-CG 3.34Å; N387-D390 PolarHBondContact ND2-OD2 2.91Å; N387-D390 WeakPolarHBondContact O-CB 3.34Å; N387-D390 PolarHBondContact O-N 2.69Å; N387-F391 PolarHBondContact O-N 3.17Å
388	P	95	Very high	90.9	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-40.3	-174.1	-24.1	33.1	0	0	0	115.2	Y344 Y347 I372 N386 D390 F391 F392	Y344-P388 HydrophobicContact CD2-CG 4.39Å; Y344-P388 HydrophobicContact CE2-CG 4.38Å; Y347-P388 HydrophobicContact CD1-CB 4.34Å; Y347-P388 HydrophobicContact CD1-CG 4.35Å; Y347-P388 HydrophobicContact CE1-CB 3.84Å; Y347-P388 HydrophobicContact CE1-CG 4.06Å; I372-P388 HydrophobicContact CD1-CB 3.86Å; I372-P388 HydrophobicContact CD1-CG 3.75Å; I372-P388 HydrophobicContact CG1-CB 4.15Å; N386-P388 WeakPolarHBondContact O-CD 3.38Å; P388-D390 VanDerWaalsContact C-N 3.29Å; P388-D390 PolarHBondContact O-N 2.91Å; P388-F391 WeakPolarHBondContact O-CB 3.46Å; P388-F391 PolarHBondContact O-N 2.65Å; P388-F392 HydrophobicContact CB-CE2 4.05Å; P388-F392 HydrophobicContact CB-CZ 3.82Å; P388-F392 WeakPolarHBondContact O-CD1 3.46Å; P388-F392 WeakPolarHBondContact O-CD2 3.26Å; P388-F392 WeakPolarHBondContact O-CE2 3.41Å; P388-F392 WeakPolarHBondContact O-CG 2.88Å; P388-F392 PolarHBondContact O-N 3.46Å
389	P	94.9	Very high	90.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-39	171.1	-26.2	34.4	0	0	0	114.9	M176 P342 Y347 N387 F392 M393	M176-P389 HydrophobicContact CE-CB 3.72Å; M176-P389 WeakPolarHBondContact CE-O 3.37Å; M176-P389 HydrophobicContact SD-CB 3.96Å; P342-P389 HydrophobicContact CG-CB 3.93Å; P342-P389 HydrophobicContact CG-CG 3.92Å; Y347-P389 HydrophobicContact CD1-CG 4.17Å; Y347-P389 HydrophobicContact CD2-CG 3.6Å; Y347-P389 HydrophobicContact CE2-CG 4.31Å; Y347-P389 HydrophobicContact CG-CG 3.51Å; N387-P389 VanDerWaalsContact OD1-CD 3.24Å; N387-P389 WeakPolarHBondContact OD1-CD 3.49Å; P389-F392 PolarHBondContact O-N 2.8Å; P389-M393 WeakPolarHBondContact O-CG 3.4Å; P389-M393 PolarHBondContact O-N 3.29Å
390	D	94.6	Very high	90.1	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-71.2	-46.6	179.4	-59.6	-22.8	0	0	0	108.5	N387 P388 F392 M393 D394	N387-D390 HydrophobicContact CB-CB 4.2Å; N387-D390 VanDerWaalsContact CB-OD2 3.23Å; N387-D390 WeakPolarHBondContact CB-OD2 3.26Å; N387-D390 VanDerWaalsContact ND2-CG 3.34Å; N387-D390 PolarHBondContact ND2-OD2 2.91Å; N387-D390 WeakPolarHBondContact O-CB 3.34Å; N387-D390 PolarHBondContact O-N 2.69Å; P388-D390 VanDerWaalsContact C-N 3.29Å; P388-D390 PolarHBondContact O-N 2.91Å; D390-F392 VanDerWaalsContact C-N 3.32Å; D390-F392 PolarHBondContact O-N 3.03Å; D390-M393 CarbonylContact O-C 3.44Å; D390-M393 WeakPolarHBondContact O-CA 3.19Å; D390-M393 WeakPolarHBondContact O-CB 3.45Å; D390-M393 PolarHBondContact O-N 3.13Å; D390-D394 PolarHBondContact O-N 3.39Å
391	F	94.5	Very high	89.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-51.5	-45.1	171.1	164.6	-104.5	0	0	0	113.4	F375 V381 C382 N387 P388 M393 D394 V395	F375-F391 HydrophobicContact CB-CE1 3.96Å; F375-F391 HydrophobicContact CB-CZ 4.15Å; F375-F391 HydrophobicContact CG-CE1 4.35Å; V381-F391 WeakPolarHBondContact O-CE2 3.33Å; C382-F391 HydrophobicContact CB-CD1 3.78Å; C382-F391 HydrophobicContact CB-CD2 4.01Å; C382-F391 HydrophobicContact CB-CE1 3.86Å; C382-F391 HydrophobicContact CB-CE2 4.07Å; C382-F391 HydrophobicContact CB-CG 3.85Å; C382-F391 HydrophobicContact CB-CZ 3.99Å; N387-F391 PolarHBondContact O-N 3.17Å; P388-F391 WeakPolarHBondContact O-CB 3.46Å; P388-F391 PolarHBondContact O-N 2.65Å; F391-M393 VanDerWaalsContact C-N 3.27Å; F391-M393 PolarHBondContact O-N 3.46Å; F391-D394 PolarHBondContact O-N 3.35Å; F391-V395 HydrophobicContact CD2-CG2 4Å; F391-V395 HydrophobicContact CE1-CG2 4.29Å; F391-V395 HydrophobicContact CE2-CG2 3.55Å; F391-V395 HydrophobicContact CZ-CG2 3.72Å; F391-V395 VanDerWaalsContact O-CG2 3.27Å; F391-V395 WeakPolarHBondContact O-CG2 3.45Å; F391-V395 PolarHBondContact O-N 3.44Å
392	F	94.7	Very high	88.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-35.6	177.5	-55	-35.9	0	0	0	112	M176 Y347 L353 L355 P371 I372 F375 P388 P389 D390 I396	M176-F392 HydrophobicContact CE-CB 4.44Å; M176-F392 HydrophobicContact CE-CD2 4.5Å; Y347-F392 HydrophobicContact CE2-CE2 4.15Å; Y347-F392 AromaticContact CZ-CE2 3.97Å; L353-F392 HydrophobicContact CD2-CD2 4.17Å; L353-F392 HydrophobicContact CD2-CE2 3.93Å; L355-F392 HydrophobicContact CD1-CB 4.05Å; L355-F392 HydrophobicContact CD1-CD2 4.32Å; L355-F392 HydrophobicContact CD1-CG 4.12Å; P371-F392 HydrophobicContact CB-CE1 4.01Å; P371-F392 HydrophobicContact CB-CE2 4.09Å; P371-F392 HydrophobicContact CB-CZ 3.59Å; P371-F392 HydrophobicContact CG-CZ 4.3Å; I372-F392 HydrophobicContact CG1-CE1 4.13Å; I372-F392 HydrophobicContact CG1-CZ 3.88Å; F375-F392 AromaticContact CD2-CD1 3.58Å; F375-F392 HydrophobicContact CD2-CD1 3.58Å; F375-F392 AromaticContact CD2-CE1 3.76Å; F375-F392 HydrophobicContact CD2-CE1 3.76Å; F375-F392 AromaticContact CE2-CD1 3.62Å; F375-F392 HydrophobicContact CE2-CD1 3.62Å; F375-F392 HydrophobicContact CE2-CE1 4.11Å; F375-F392 HydrophobicContact CE2-CG 4.24Å; P388-F392 HydrophobicContact CB-CE2 4.05Å; P388-F392 HydrophobicContact CB-CZ 3.82Å; P388-F392 WeakPolarHBondContact O-CD1 3.46Å; P388-F392 WeakPolarHBondContact O-CD2 3.26Å; P388-F392 WeakPolarHBondContact O-CE2 3.41Å; P388-F392 WeakPolarHBondContact O-CG 2.88Å; P388-F392 PolarHBondContact O-N 3.46Å; P389-F392 PolarHBondContact O-N 2.8Å; D390-F392 VanDerWaalsContact C-N 3.32Å; D390-F392 PolarHBondContact O-N 3.03Å; F392-I396 VanDerWaalsContact O-CD1 3.31Å; F392-I396 WeakPolarHBondContact O-CD1 3.23Å; F392-I396 WeakPolarHBondContact O-CG1 3.27Å; F392-I396 PolarHBondContact O-N 3.42Å
393	M	93.4	Very high	88.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71	-43.1	175.7	-68.6	-65.3	177.8	0	0	111.5	M176 G177 P178 Q341 P389 D390 F391 V395 I396 H397	M176-M393 HydrophobicContact CB-CE 4.38Å; M176-M393 HydrophobicContact CE-CE 3.29Å; M176-M393 HydrophobicContact CE-CG 3.85Å; M176-M393 HydrophobicContact CE-SD 4.3Å; M176-M393 HydrophobicContact CG-CE 3.59Å; M176-M393 HydrophobicContact SD-CE 4.25Å; G177-M393 VanDerWaalsContact C-CE 3.43Å; G177-M393 VanDerWaalsContact CA-CE 3.44Å; P178-M393 HydrophobicContact CG-SD 4.39Å; Q341-M393 HydrophobicContact CG-CG 4.04Å; P389-M393 WeakPolarHBondContact O-CG 3.4Å; P389-M393 PolarHBondContact O-N 3.29Å; D390-M393 CarbonylContact O-C 3.44Å; D390-M393 WeakPolarHBondContact O-CA 3.19Å; D390-M393 WeakPolarHBondContact O-CB 3.45Å; D390-M393 PolarHBondContact O-N 3.13Å; F391-M393 VanDerWaalsContact C-N 3.27Å; F391-M393 PolarHBondContact O-N 3.46Å; M393-V395 VanDerWaalsContact C-N 3.28Å; M393-V395 PolarHBondContact O-N 3.14Å; M393-I396 CarbonylContact O-C 3.54Å; M393-I396 PolarHBondContact O-N 2.84Å; M393-I396 HydrophobicContact SD-CD1 4.29Å; M393-H397 VanDerWaalsContact O-CG 3.28Å; M393-H397 PolarHBondContact O-N 3.32Å; M393-H397 PolarHBondContact O-ND1 2.93Å
394	D	91.6	Very high	86.8	Confident	35 Å²	35	54.6 Å²	54.6	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-37.9	179	-57.4	-15.7	0	0	0	111	D390 F391 H397 G398 E399 C400	D390-D394 PolarHBondContact O-N 3.39Å; F391-D394 PolarHBondContact O-N 3.35Å; D394-H397 PolarHBondContact O-N 3.07Å; D394-G398 PolarHBondContact O-N 2.83Å; D394-G398 VanDerWaalsContact O-N 3.11Å; D394-E399 HydrophobicContact CB-CB 4.25Å; D394-E399 PolarHBondContact O-N 3.24Å; D394-C400 PolarHBondContact O-N 2.93Å
395	V	92.2	Very high	85.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-48.1	170.3	170.7	0	0	0	0	110.9	F375 Y380 F391 M393 H397 G398 C400 V425 L429	F375-V395 HydrophobicContact CD1-CG1 3.99Å; F375-V395 HydrophobicContact CE1-CG1 3.87Å; Y380-V395 HydrophobicContact CD1-CG1 4.04Å; Y380-V395 HydrophobicContact CD1-CG2 3.95Å; Y380-V395 HydrophobicContact CD2-CG1 4.07Å; Y380-V395 HydrophobicContact CE1-CG1 3.95Å; Y380-V395 HydrophobicContact CE2-CG1 3.97Å; Y380-V395 HydrophobicContact CG-CG1 4.09Å; Y380-V395 HydrophobicContact CG-CG2 4.06Å; F391-V395 HydrophobicContact CD2-CG2 4Å; F391-V395 HydrophobicContact CE1-CG2 4.29Å; F391-V395 HydrophobicContact CE2-CG2 3.55Å; F391-V395 HydrophobicContact CZ-CG2 3.72Å; F391-V395 VanDerWaalsContact O-CG2 3.27Å; F391-V395 WeakPolarHBondContact O-CG2 3.45Å; F391-V395 PolarHBondContact O-N 3.44Å; M393-V395 VanDerWaalsContact C-N 3.28Å; M393-V395 PolarHBondContact O-N 3.14Å; V395-H397 VanDerWaalsContact C-N 3.32Å; V395-H397 PolarHBondContact O-N 2.92Å; V395-G398 PolarHBondContact O-N 3.49Å; V395-C400 HydrophobicContact CG2-CB 3.75Å; V395-V425 VanDerWaalsContact O-CG1 3.25Å; V395-V425 WeakPolarHBondContact O-CG1 3.31Å; V395-L429 HydrophobicContact CG1-CD1 3.99Å; V395-L429 HydrophobicContact CG1-CD2 4.39Å
396	I	91.2	Very high	83.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-37.6	179.6	-64.7	161.4	0	0	0	111.7	P178 Y357 I362 F392 M393 G398 M422 L429	P178-I396 HydrophobicContact CG-CB 4.48Å; P178-I396 HydrophobicContact CG-CG2 3.56Å; Y357-I396 HydrophobicContact CD2-CG2 3.46Å; Y357-I396 VanDerWaalsContact CD2-CG2 3.46Å; Y357-I396 HydrophobicContact CE2-CG2 3.89Å; Y357-I396 HydrophobicContact CG-CG2 4.3Å; I362-I396 HydrophobicContact CD1-CD1 3.42Å; I362-I396 VanDerWaalsContact CD1-CD1 3.42Å; I362-I396 HydrophobicContact CD1-CG1 3.5Å; F392-I396 VanDerWaalsContact O-CD1 3.31Å; F392-I396 WeakPolarHBondContact O-CD1 3.23Å; F392-I396 WeakPolarHBondContact O-CG1 3.27Å; F392-I396 PolarHBondContact O-N 3.42Å; M393-I396 CarbonylContact O-C 3.54Å; M393-I396 PolarHBondContact O-N 2.84Å; M393-I396 HydrophobicContact SD-CD1 4.29Å; I396-G398 PolarHBondContact O-N 3.47Å; I396-M422 WeakPolarHBondContact O-CG 3.47Å; I396-L429 HydrophobicContact CG1-CD1 4.29Å
397	H	88.5	Confident	81.8	Confident	47 Å²	47	49.4 Å²	49.4	22%	0.218	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-9.5	175.6	-63.4	134.8	0	0	0	113	M393 D394 V395 E399	M393-H397 VanDerWaalsContact O-CG 3.28Å; M393-H397 PolarHBondContact O-N 3.32Å; M393-H397 PolarHBondContact O-ND1 2.93Å; D394-H397 PolarHBondContact O-N 3.07Å; V395-H397 VanDerWaalsContact C-N 3.32Å; V395-H397 PolarHBondContact O-N 2.92Å; H397-E399 HydrophobicContact CB-CG 4.18Å
398	G	84.8	Confident	79.6	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	20.4	-179.5	0	0	0	0	0	113.8	D394 V395 I396 R421	D394-G398 PolarHBondContact O-N 2.83Å; D394-G398 VanDerWaalsContact O-N 3.11Å; V395-G398 PolarHBondContact O-N 3.49Å; I396-G398 PolarHBondContact O-N 3.47Å; G398-R421 PolarHBondContact O-NH2 3.22Å
399	E	83.2	Confident	77.5	Confident	126 Å²	126	52.7 Å²	52.7	59%	0.589	29%	0.288	S	S	*	.			trans	-79.7	-31.5	177	-63.4	-173.7	179.1	0	0	111.9	D394 H397	D394-E399 HydrophobicContact CB-CB 4.25Å; D394-E399 PolarHBondContact O-N 3.24Å; H397-E399 HydrophobicContact CB-CG 4.18Å
400	C	82.6	Confident	75.3	Confident	35 Å²	35	57.2 Å²	57.2	24%	0.236	32%	0.316	C	S	.	.	S	Bend	trans	-90.4	127.6	172.8	-69	0	0	0	0	110.9	Y380 D394 V395	Y380-C400 HydrophobicContact CD1-CB 4.35Å; Y380-C400 WeakPolarHBondContact CE1-O 3.36Å; D394-C400 PolarHBondContact O-N 2.93Å; V395-C400 HydrophobicContact CG2-CB 3.75Å
401	L	76	Confident	73.2	Confident	88 Å²	88	62.7 Å²	62.7	46%	0.461	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-92.4	146.1	177.8	-60.6	172.6	0	0	0	111.4	Q403 D409 V413	L401-Q403 PolarHBondContact O-N 3.01Å; L401-D409 HydrophobicContact CD2-CB 4.08Å; L401-V413 HydrophobicContact CD1-CG2 4.13Å; L401-V413 HydrophobicContact CD2-CG2 3.55Å
402	R	81.3	Confident	71.3	Confident	40 Å²	40	63.2 Å²	63.2	15%	0.151	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70	127.2	172.5	-69	179.6	138.8	153	1.7	110	L378 Y380 D409 D432	L378-R402 PolarHBondContact O-NE 2.95Å; Y380-R402 HydrophobicContact CD1-CG 3.99Å; Y380-R402 HydrophobicContact CD2-CG 4.27Å; Y380-R402 HydrophobicContact CE1-CB 4.47Å; Y380-R402 HydrophobicContact CE1-CG 3.43Å; Y380-R402 VanDerWaalsContact CE1-CG 3.43Å; Y380-R402 HydrophobicContact CE2-CG 3.76Å; Y380-R402 HydrophobicContact CG-CG 4.38Å; R402-D409 VanDerWaalsContact CB-OD2 3.29Å; R402-D409 WeakPolarHBondContact CB-OD2 3.49Å; R402-D409 WeakPolarHBondContact CG-OD2 3.42Å; R402-D409 PolarHBondContact N-OD2 3.31Å; R402-D432 IonicContact CZ-OD2 3.41Å; R402-D432 IonicContact NH1-OD2 3.53Å; R402-D432 PolarHBondContact NH1-OD2 2.92Å; R402-D432 IonicContact NH2-OD2 3.56Å; R402-D432 PolarHBondContact NH2-OD2 2.98Å
403	Q	74	Confident	69.3	Low	134 Å²	134	66.4 Å²	66.4	63%	0.626	36%	0.362	S	S	*	.	S	Bend	trans	-81.4	-20.7	-178	-66.6	-174.3	2.7	0	0	113.6	G379 V381 L401	G379-Q403 PolarHBondContact O-N 3.23Å; V381-Q403 HydrophobicContact CG2-CG 4.48Å; L401-Q403 PolarHBondContact O-N 3.01Å
404	N	58.8	Low	67.4	Low	152 Å²	152	72.5 Å²	72.5	81%	0.813	39%	0.394	S	S	*	.	S	Bend	trans	-139.3	34.3	-168.3	-80.2	-24.2	0	0	0	115.4
405	G	54.4	Low	65.7	Low	38 Å²	38	74 Å²	74	39%	0.392	40%	0.4	S	S	.	.			trans	-95.5	140	177.6	0	0	0	0	0	114.2	T407	G405-T407 PolarHBondContact O-N 2.83Å
406	N	49.7	Very low	64	Low	177 Å²	177	83.5 Å²	83.5	95%	0.947	44%	0.444	S	S	*	.	S	Bend	trans	-64	-12.9	170.2	-81.8	-2.7	0	0	0	113.5
407	T	49.7	Very low	63.2	Low	82 Å²	82	87.7 Å²	87.7	50%	0.503	47%	0.466	S	S	.	.	S	Bend	trans	-97.1	110.9	166.9	44.6	0	0	0	0	107.8	G405 D409	G405-T407 PolarHBondContact O-N 2.83Å; T407-D409 PolarHBondContact O-N 2.87Å
408	P	47.3	Very low	62.6	Low	86 Å²	86	89.9 Å²	89.9	56%	0.558	48%	0.483	S	S	*	.			trans	-65.9	113.7	171.9	27	-29.6	0	0	0	107.1	V410 Q411	P408-V410 HydrophobicContact CB-CB 3.97Å; P408-V410 HydrophobicContact CB-CG2 3.7Å; P408-V410 PolarHBondContact O-N 3.16Å; P408-Q411 PolarHBondContact O-N 3.09Å
409	D	50.4	Low	62.4	Low	14 Å²	14	96.1 Å²	96.1	8%	0.075	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-3.3	166.8	-73.8	-18	0	0	0	112.2	L401 R402 T407 Q411 I412 V413	L401-D409 HydrophobicContact CD2-CB 4.08Å; R402-D409 VanDerWaalsContact CB-OD2 3.29Å; R402-D409 WeakPolarHBondContact CB-OD2 3.49Å; R402-D409 WeakPolarHBondContact CG-OD2 3.42Å; R402-D409 PolarHBondContact N-OD2 3.31Å; T407-D409 PolarHBondContact O-N 2.87Å; D409-Q411 PolarHBondContact O-N 3.34Å; D409-Q411 VanDerWaalsContact O-N 3.17Å; D409-I412 WeakPolarHBondContact O-CA 3.21Å; D409-I412 WeakPolarHBondContact O-CB 3.48Å; D409-I412 PolarHBondContact O-N 3.27Å; D409-V413 WeakPolarHBondContact O-CG2 3.33Å; D409-V413 PolarHBondContact O-N 3.41Å
410	V	49.5	Very low	62.3	Low	96 Å²	96	94.6 Å²	94.6	58%	0.582	50%	0.504	S	S	*	.	H	α-helix	trans	-47.5	-35.3	169.1	-178.3	0	0	0	0	112.4	P408 I412 V413	P408-V410 HydrophobicContact CB-CB 3.97Å; P408-V410 HydrophobicContact CB-CG2 3.7Å; P408-V410 PolarHBondContact O-N 3.16Å; V410-I412 VanDerWaalsContact C-N 3.34Å; V410-I412 PolarHBondContact O-N 2.89Å; V410-V413 PolarHBondContact O-N 3.09Å
411	Q	49.4	Very low	62.2	Low	162 Å²	162	95.6 Å²	95.6	76%	0.757	50%	0.503	S	S	*	.	H	α-helix	trans	-70.7	-27.3	173.9	-74.1	-174.7	1.6	0	0	113.8	P408 D409	P408-Q411 PolarHBondContact O-N 3.09Å; D409-Q411 PolarHBondContact O-N 3.34Å; D409-Q411 VanDerWaalsContact O-N 3.17Å
412	I	54.3	Low	62.7	Low	13 Å²	13	93.3 Å²	93.3	7%	0.067	49%	0.491	C	S	.	.	H	α-helix	trans	-80.3	-31.9	178.9	-55	176.2	0	0	0	110.1	D409 V410 D414 H415 R421 V425	D409-I412 WeakPolarHBondContact O-CA 3.21Å; D409-I412 WeakPolarHBondContact O-CB 3.48Å; D409-I412 PolarHBondContact O-N 3.27Å; V410-I412 VanDerWaalsContact C-N 3.34Å; V410-I412 PolarHBondContact O-N 2.89Å; I412-D414 VanDerWaalsContact C-N 3.31Å; I412-D414 PolarHBondContact O-N 2.98Å; I412-H415 PolarHBondContact O-N 2.79Å; I412-R421 HydrophobicContact CG2-CB 4.15Å; I412-R421 HydrophobicContact CG2-CG 3.91Å; I412-R421 VanDerWaalsContact O-CD 3.28Å; I412-R421 WeakPolarHBondContact O-CD 3.39Å; I412-R421 VanDerWaalsContact O-CG 3.24Å; I412-R421 WeakPolarHBondContact O-CG 3.45Å; I412-V425 HydrophobicContact CD1-CG2 4.18Å; I412-V425 HydrophobicContact CG2-CG2 4.1Å
413	V	53.4	Low	63	Low	66 Å²	66	94 Å²	94	40%	0.4	50%	0.496	S	S	.	.	H	α-helix	trans	-68.5	-28.1	179.7	179.1	0	0	0	0	112.6	L401 D409 V410 H415	L401-V413 HydrophobicContact CD1-CG2 4.13Å; L401-V413 HydrophobicContact CD2-CG2 3.55Å; D409-V413 WeakPolarHBondContact O-CG2 3.33Å; D409-V413 PolarHBondContact O-N 3.41Å; V410-V413 PolarHBondContact O-N 3.09Å; V413-H415 PolarHBondContact O-N 2.86Å
414	D	52.5	Low	63.6	Low	129 Å²	129	90.4 Å²	90.4	69%	0.69	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.4	177.9	-81.4	-17.3	0	0	0	113.8	I412 H416	I412-D414 VanDerWaalsContact C-N 3.31Å; I412-D414 PolarHBondContact O-N 2.98Å; D414-H416 PolarHBondContact O-N 2.68Å
415	H	56.1	Low	65.1	Low	65 Å²	65	83.4 Å²	83.4	30%	0.301	44%	0.443	S	S	.	.			trans	-82.1	110.7	173.6	-73.1	-3.5	0	0	0	110.9	I412 V413 D417 E420 R421	I412-H415 PolarHBondContact O-N 2.79Å; V413-H415 PolarHBondContact O-N 2.86Å; H415-D417 PolarHBondContact O-N 2.78Å; H415-E420 IonicContact CD2-OE1 2.68Å; H415-E420 IonicContact CD2-OE2 3.84Å; H415-E420 PolarHBondContact CD2-OE2 3.28Å; H415-E420 IonicContact CG-OE2 2.88Å; H415-E420 IonicContact NE2-OE1 3.92Å; H415-E420 IonicContact NE2-OE2 3.71Å; H415-R421 HydrophobicContact CB-CG 3.85Å; H415-R421 WeakPolarHBondContact O-CD 3.4Å
416	H	57.9	Low	66.8	Low	200 Å²	200	81.6 Å²	81.6	93%	0.926	42%	0.424	S	S	*	.			trans	-65	-20.8	175.2	-92.8	-69.6	0	0	0	113.2	D414	D414-H416 PolarHBondContact O-N 2.68Å
417	D	73	Confident	68.8	Low	88 Å²	88	77.9 Å²	77.9	47%	0.471	40%	0.401	S	S	.	.			trans	-88.6	114.8	178.7	-168.6	-9.1	0	0	0	111.7	H415 Q419 E420 R421	H415-D417 PolarHBondContact O-N 2.78Å; D417-Q419 PolarHBondContact O-N 3.35Å; D417-Q419 PolarHBondContact OD1-N 2.86Å; D417-E420 HydrophobicContact CB-CB 4.29Å; D417-E420 PolarHBondContact O-N 3.21Å; D417-R421 PolarHBondContact O-N 3.36Å
418	T	76.6	Confident	70.8	Confident	93 Å²	93	76.5 Å²	76.5	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-56.6	-33.5	176	-47.4	0	0	0	0	112.3	M422	T418-M422 WeakPolarHBondContact O-CB 3.33Å; T418-M422 PolarHBondContact O-N 3.11Å
419	Q	79.8	Confident	73	Confident	134 Å²	134	72.4 Å²	72.4	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-37.9	-179.4	-73.6	-156	-4.9	0	0	113	D417 H423	D417-Q419 PolarHBondContact O-N 3.35Å; D417-Q419 PolarHBondContact OD1-N 2.86Å; Q419-H423 PolarHBondContact O-N 3.3Å
420	E	82.1	Confident	75.1	Confident	94 Å²	94	72.3 Å²	72.3	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-68.6	-44.2	179.6	-166.7	172.9	-157.4	0	0	110.5	H415 D417 M422 H423 L424	H415-E420 IonicContact CD2-OE1 2.68Å; H415-E420 IonicContact CD2-OE2 3.84Å; H415-E420 PolarHBondContact CD2-OE2 3.28Å; H415-E420 IonicContact CG-OE2 2.88Å; H415-E420 IonicContact NE2-OE1 3.92Å; H415-E420 IonicContact NE2-OE2 3.71Å; D417-E420 HydrophobicContact CB-CB 4.29Å; D417-E420 PolarHBondContact O-N 3.21Å; E420-M422 PolarHBondContact O-N 2.97Å; E420-H423 WeakPolarHBondContact O-CA 3.38Å; E420-H423 WeakPolarHBondContact O-CB 3.13Å; E420-H423 PolarHBondContact O-N 3.05Å; E420-L424 PolarHBondContact O-N 3.32Å
421	R	80.9	Confident	77.3	Confident	57 Å²	57	73.7 Å²	73.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-56.2	-50.4	172.8	-72	-177.2	54.7	-177.1	-1.8	112.2	G398 I412 H415 D417 H423 L424 V425	G398-R421 PolarHBondContact O-NH2 3.22Å; I412-R421 HydrophobicContact CG2-CB 4.15Å; I412-R421 HydrophobicContact CG2-CG 3.91Å; I412-R421 VanDerWaalsContact O-CD 3.28Å; I412-R421 WeakPolarHBondContact O-CD 3.39Å; I412-R421 VanDerWaalsContact O-CG 3.24Å; I412-R421 WeakPolarHBondContact O-CG 3.45Å; H415-R421 HydrophobicContact CB-CG 3.85Å; H415-R421 WeakPolarHBondContact O-CD 3.4Å; D417-R421 PolarHBondContact O-N 3.36Å; R421-H423 PolarHBondContact O-N 2.8Å; R421-L424 PolarHBondContact O-N 3.32Å; R421-V425 WeakPolarHBondContact O-CG2 3.44Å; R421-V425 PolarHBondContact O-N 3.42Å
422	M	85.4	Confident	79.4	Confident	39 Å²	39	67.8 Å²	67.8	19%	0.192	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-36.6	175.3	-176.5	-175.4	73.9	0	0	111.3	Y357 I396 T418 E420 G426	Y357-M422 HydrophobicContact CE2-CE 4.18Å; Y357-M422 HydrophobicContact CE2-CG 3.82Å; Y357-M422 HydrophobicContact CE2-SD 4.12Å; Y357-M422 PolarHBondContact OH-O 2.98Å; Y357-M422 VanDerWaalsContact OH-O 3.07Å; I396-M422 WeakPolarHBondContact O-CG 3.47Å; T418-M422 WeakPolarHBondContact O-CB 3.33Å; T418-M422 PolarHBondContact O-N 3.11Å; E420-M422 PolarHBondContact O-N 2.97Å; M422-G426 PolarHBondContact O-N 3.2Å
423	H	87.6	Confident	81.4	Confident	56 Å²	56	68 Å²	68	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-69	-47.1	179.7	-167.7	22.6	0	0	0	113.2	Y357 R358 Q419 E420 R421 G426 Q427	Y357-H423 VanDerWaalsContact OH-CA 3.3Å; Y357-H423 WeakPolarHBondContact OH-CA 3.38Å; R358-H423 PolarHBondContact NH1-CE1 2.74Å; R358-H423 PolarHBondContact NH1-ND1 2.93Å; R358-H423 VanDerWaalsContact NH1-ND1 3.2Å; R358-H423 PolarHBondContact NH1-NE2 3.17Å; Q419-H423 PolarHBondContact O-N 3.3Å; E420-H423 WeakPolarHBondContact O-CA 3.38Å; E420-H423 WeakPolarHBondContact O-CB 3.13Å; E420-H423 PolarHBondContact O-N 3.05Å; R421-H423 PolarHBondContact O-N 2.8Å; H423-G426 PolarHBondContact O-N 3.25Å; H423-Q427 PolarHBondContact CE1-NE2 2.92Å; H423-Q427 PolarHBondContact NE2-NE2 3.4Å; H423-Q427 WeakPolarHBondContact O-CG 3.46Å; H423-Q427 PolarHBondContact O-N 2.97Å
424	L	87.8	Confident	83.3	Confident	57 Å²	57	70.5 Å²	70.5	30%	0.298	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-49.5	179.4	-68.7	170.5	0	0	0	111.2	E420 R421 G426 Q427 Q428	E420-L424 PolarHBondContact O-N 3.32Å; R421-L424 PolarHBondContact O-N 3.32Å; L424-G426 PolarHBondContact O-N 2.82Å; L424-Q427 PolarHBondContact O-N 2.94Å; L424-Q428 PolarHBondContact O-N 2.91Å
425	V	89.4	Confident	85.2	Confident	5 Å²	5	69 Å²	69	3%	0.03	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-44	178.7	177	0	0	0	0	110.6	V395 I412 R421 Q427 Q428 L429	V395-V425 VanDerWaalsContact O-CG1 3.25Å; V395-V425 WeakPolarHBondContact O-CG1 3.31Å; I412-V425 HydrophobicContact CD1-CG2 4.18Å; I412-V425 HydrophobicContact CG2-CG2 4.1Å; R421-V425 WeakPolarHBondContact O-CG2 3.44Å; R421-V425 PolarHBondContact O-N 3.42Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 3.3Å; V425-Q428 PolarHBondContact O-N 2.95Å; V425-L429 HydrophobicContact CG1-CD1 4.02Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CG 3.32Å; V425-L429 PolarHBondContact O-N 3.05Å
426	G	90.3	Very high	87.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-43.2	176	0	0	0	0	0	113.2	M422 H423 L424 L429 I430	M422-G426 PolarHBondContact O-N 3.2Å; H423-G426 PolarHBondContact O-N 3.25Å; L424-G426 PolarHBondContact O-N 2.82Å; G426-L429 PolarHBondContact O-N 3.34Å; G426-I430 WeakPolarHBondContact O-CD1 3.36Å; G426-I430 VanDerWaalsContact O-CG1 3.3Å; G426-I430 WeakPolarHBondContact O-CG1 3.17Å; G426-I430 PolarHBondContact O-N 2.81Å; G426-I430 VanDerWaalsContact O-N 3.11Å
427	Q	91	Very high	88.8	Confident	99 Å²	99	64.5 Å²	64.5	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-41.5	176.1	-81.2	-175.7	-15.3	0	0	112.7	H423 L424 V425 I430 Q431	H423-Q427 PolarHBondContact CE1-NE2 2.92Å; H423-Q427 PolarHBondContact NE2-NE2 3.4Å; H423-Q427 WeakPolarHBondContact O-CG 3.46Å; H423-Q427 PolarHBondContact O-N 2.97Å; L424-Q427 PolarHBondContact O-N 2.94Å; V425-Q427 VanDerWaalsContact C-N 3.34Å; V425-Q427 PolarHBondContact O-N 3.3Å; Q427-I430 WeakPolarHBondContact O-CB 3.45Å; Q427-I430 PolarHBondContact O-N 3.16Å; Q427-Q431 PolarHBondContact O-N 3.49Å
428	Q	92.1	Very high	89.8	Confident	53 Å²	53	62.8 Å²	62.8	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.1	-71.7	180	-5.4	0	0	111.1	L424 V425 I430 Q431 D432	L424-Q428 PolarHBondContact O-N 2.91Å; V425-Q428 PolarHBondContact O-N 2.95Å; Q428-I430 VanDerWaalsContact C-N 3.27Å; Q428-I430 PolarHBondContact O-N 2.86Å; Q428-Q431 WeakPolarHBondContact O-CB 3.38Å; Q428-Q431 PolarHBondContact O-N 2.79Å; Q428-D432 PolarHBondContact O-N 3.26Å; Q428-D432 VanDerWaalsContact O-OD2 3.1Å
429	L	94	Very high	90.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-34.1	179.7	-69.2	173.2	0	0	0	113.4	I362 F375 L378 Y380 V395 I396 V425 G426 W433	I362-L429 HydrophobicContact CB-CB 4.25Å; I362-L429 HydrophobicContact CD1-CD1 4.48Å; I362-L429 HydrophobicContact CG2-CB 4.06Å; F375-L429 HydrophobicContact CD1-CD2 4.42Å; F375-L429 HydrophobicContact CE1-CD1 4.49Å; F375-L429 HydrophobicContact CE1-CD2 3.91Å; L378-L429 HydrophobicContact CD1-CD2 4.12Å; Y380-L429 HydrophobicContact CE2-CD2 3.85Å; V395-L429 HydrophobicContact CG1-CD1 3.99Å; V395-L429 HydrophobicContact CG1-CD2 4.39Å; I396-L429 HydrophobicContact CG1-CD1 4.29Å; V425-L429 HydrophobicContact CG1-CD1 4.02Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CG 3.32Å; V425-L429 PolarHBondContact O-N 3.05Å; G426-L429 PolarHBondContact O-N 3.34Å; L429-W433 WeakPolarHBondContact O-CB 3.22Å; L429-W433 PolarHBondContact O-N 3.38Å
430	I	94.1	Very high	91.4	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-49.8	172.7	-71.9	155.8	0	0	0	110	Y357 Q360 I362 G426 Q427 Q428 D432 W433 Q434	Y357-I430 HydrophobicContact CD1-CD1 3.99Å; Q360-I430 HydrophobicContact CB-CD1 4.1Å; Q360-I430 HydrophobicContact CB-CG1 4.05Å; Q360-I430 HydrophobicContact CB-CG2 4.46Å; I362-I430 HydrophobicContact CG2-CG1 3.97Å; G426-I430 WeakPolarHBondContact O-CD1 3.36Å; G426-I430 VanDerWaalsContact O-CG1 3.3Å; G426-I430 WeakPolarHBondContact O-CG1 3.17Å; G426-I430 PolarHBondContact O-N 2.81Å; G426-I430 VanDerWaalsContact O-N 3.11Å; Q427-I430 WeakPolarHBondContact O-CB 3.45Å; Q427-I430 PolarHBondContact O-N 3.16Å; Q428-I430 VanDerWaalsContact C-N 3.27Å; Q428-I430 PolarHBondContact O-N 2.86Å; I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 PolarHBondContact O-N 2.95Å; I430-W433 PolarHBondContact O-N 3.24Å; I430-Q434 WeakPolarHBondContact O-CG 3.47Å; I430-Q434 PolarHBondContact O-N 3.22Å
431	Q	94.7	Very high	92	Very high	125 Å²	125	58.5 Å²	58.5	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-64.4	-40.5	-178.4	-171.1	173.6	12	0	0	111.5	Q427 Q428 W433 Q434 T435	Q427-Q431 PolarHBondContact O-N 3.49Å; Q428-Q431 WeakPolarHBondContact O-CB 3.38Å; Q428-Q431 PolarHBondContact O-N 2.79Å; Q431-W433 VanDerWaalsContact C-N 3.33Å; Q431-W433 PolarHBondContact O-N 3.04Å; Q431-Q434 PolarHBondContact O-N 3.47Å; Q431-T435 WeakPolarHBondContact O-CG2 3.49Å; Q431-T435 PolarHBondContact O-N 3.49Å; Q431-T435 VanDerWaalsContact O-N 3.07Å; Q431-T435 PolarHBondContact O-OG1 3.19Å
432	D	94.6	Very high	92.6	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.203	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-40.9	175.1	-66.1	-37.8	0	0	0	111.7	L378 R402 Q428 I430 T435 S436	L378-D432 HydrophobicContact CD1-CB 4.13Å; L378-D432 HydrophobicContact CD2-CB 3.83Å; R402-D432 IonicContact CZ-OD2 3.41Å; R402-D432 IonicContact NH1-OD2 3.53Å; R402-D432 PolarHBondContact NH1-OD2 2.92Å; R402-D432 IonicContact NH2-OD2 3.56Å; R402-D432 PolarHBondContact NH2-OD2 2.98Å; Q428-D432 PolarHBondContact O-N 3.26Å; Q428-D432 VanDerWaalsContact O-OD2 3.1Å; I430-D432 VanDerWaalsContact C-N 3.33Å; I430-D432 PolarHBondContact O-N 2.95Å; D432-T435 PolarHBondContact O-OG1 2.86Å; D432-S436 WeakPolarHBondContact O-CB 3.24Å; D432-S436 PolarHBondContact O-N 3.2Å; D432-S436 VanDerWaalsContact O-N 3.16Å
433	W	95.8	Very high	93	Very high	17 Å²	17	58.5 Å²	58.5	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-51	174.8	176.2	-108.9	0	0	0	111.3	I361 I362 Y363 H364 Y374 L429 I430 Q431 T435 S436 M438 A439	I361-W433 HydrophobicContact CG2-CD2 4.4Å; I361-W433 HydrophobicContact CG2-CG 4.46Å; I361-W433 HydrophobicContact CG2-CZ2 4.3Å; I362-W433 WeakPolarHBondContact O-CB 3.24Å; Y363-W433 HydrophobicContact CD2-CE3 4.48Å; Y363-W433 AromaticContact CD2-CZ3 3.95Å; Y363-W433 HydrophobicContact CD2-CZ3 3.95Å; H364-W433 HydrophobicContact CB-CH2 4.15Å; H364-W433 HydrophobicContact CB-CZ2 3.76Å; H364-W433 WeakPolarHBondContact O-CH2 3.07Å; Y374-W433 HydrophobicContact CE1-CE3 4.43Å; Y374-W433 HydrophobicContact CE2-CE3 4.23Å; Y374-W433 AromaticContact CZ-CE3 3.9Å; Y374-W433 VanDerWaalsContact OH-CA 3.23Å; Y374-W433 WeakPolarHBondContact OH-CA 3.44Å; Y374-W433 PolarHBondContact OH-N 3.24Å; L429-W433 WeakPolarHBondContact O-CB 3.22Å; L429-W433 PolarHBondContact O-N 3.38Å; I430-W433 PolarHBondContact O-N 3.24Å; Q431-W433 VanDerWaalsContact C-N 3.33Å; Q431-W433 PolarHBondContact O-N 3.04Å; W433-T435 PolarHBondContact O-N 3.27Å; W433-S436 WeakPolarHBondContact O-CB 3.47Å; W433-S436 PolarHBondContact O-N 3.36Å; W433-S436 PolarHBondContact O-OG 3.05Å; W433-M438 HydrophobicContact CH2-CB 4Å; W433-M438 HydrophobicContact CZ3-CB 3.92Å; W433-M438 HydrophobicContact CZ3-CE 4.18Å; W433-A439 HydrophobicContact CD2-CB 4Å; W433-A439 HydrophobicContact CG-CB 4.38Å; W433-A439 HydrophobicContact CH2-CB 4.34Å; W433-A439 HydrophobicContact CZ2-CB 3.82Å; W433-A439 WeakPolarHBondContact O-CB 3.18Å
434	Q	93.1	Very high	93.4	Very high	119 Å²	119	61.9 Å²	61.9	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-33.3	-178	-73.8	176.8	-15.1	0	0	113.2	I430 Q431	I430-Q434 WeakPolarHBondContact O-CG 3.47Å; I430-Q434 PolarHBondContact O-N 3.22Å; Q431-Q434 PolarHBondContact O-N 3.47Å
435	T	93.9	Very high	93.7	Very high	96 Å²	96	61.2 Å²	61.2	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-87.6	-8.3	178.3	55.6	0	0	0	0	113.8	Q431 D432 W433	Q431-T435 WeakPolarHBondContact O-CG2 3.49Å; Q431-T435 PolarHBondContact O-N 3.49Å; Q431-T435 VanDerWaalsContact O-N 3.07Å; Q431-T435 PolarHBondContact O-OG1 3.19Å; D432-T435 PolarHBondContact O-OG1 2.86Å; W433-T435 PolarHBondContact O-N 3.27Å
436	S	94.8	Very high	93.8	Very high	19 Å²	19	61 Å²	61	13%	0.133	30%	0.301	C	S	.	.	S	Bend	trans	-73.5	146.7	-177.2	75.7	0	0	0	0	113.5	D432 W433 M438 A439 Q440	D432-S436 WeakPolarHBondContact O-CB 3.24Å; D432-S436 PolarHBondContact O-N 3.2Å; D432-S436 VanDerWaalsContact O-N 3.16Å; W433-S436 WeakPolarHBondContact O-CB 3.47Å; W433-S436 PolarHBondContact O-N 3.36Å; W433-S436 PolarHBondContact O-OG 3.05Å; S436-M438 PolarHBondContact O-N 2.9Å; S436-A439 PolarHBondContact O-N 3.4Å; S436-A439 WeakPolarHBondContact OG-CB 3.14Å; S436-A439 PolarHBondContact OG-N 3.03Å; S436-Q440 PolarHBondContact O-N 2.8Å; S436-Q440 VanDerWaalsContact O-N 3.14Å
437	E	94.7	Very high	94	Very high	153 Å²	153	63.4 Å²	63.4	72%	0.715	32%	0.317	S	S	*	.	H	α-helix	trans	-57.1	-33.9	172.7	-65	178.2	170.7	0	0	112.3	Q440 H441	E437-Q440 PolarHBondContact O-N 3.19Å; E437-H441 WeakPolarHBondContact O-CB 3.2Å; E437-H441 PolarHBondContact O-N 3.41Å
438	M	93.8	Very high	94	Very high	52 Å²	52	61.4 Å²	61.4	26%	0.256	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-42.7	178.7	-70.5	-167.8	-72.7	0	0	112	Y363 Y374 W433 S436 H441 V442	Y363-M438 HydrophobicContact CD2-CE 4.35Å; Y363-M438 HydrophobicContact CE2-CE 3.99Å; Y363-M438 HydrophobicContact CE2-SD 4.27Å; Y374-M438 HydrophobicContact CD2-CE 3.08Å; Y374-M438 HydrophobicContact CE2-CE 3.85Å; Y374-M438 HydrophobicContact CG-CE 3.49Å; Y374-M438 VanDerWaalsContact CG-CE 3.49Å; W433-M438 HydrophobicContact CH2-CB 4Å; W433-M438 HydrophobicContact CZ3-CB 3.92Å; W433-M438 HydrophobicContact CZ3-CE 4.18Å; S436-M438 PolarHBondContact O-N 2.9Å; M438-H441 PolarHBondContact O-N 2.68Å; M438-V442 WeakPolarHBondContact O-CG2 3.08Å; M438-V442 PolarHBondContact O-N 2.91Å
439	A	93.8	Very high	94	Very high	12 Å²	12	59.6 Å²	59.6	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-40.9	176.5	0	0	0	0	0	111.5	W433 S436 V442 L443	W433-A439 HydrophobicContact CD2-CB 4Å; W433-A439 HydrophobicContact CG-CB 4.38Å; W433-A439 HydrophobicContact CH2-CB 4.34Å; W433-A439 HydrophobicContact CZ2-CB 3.82Å; W433-A439 WeakPolarHBondContact O-CB 3.18Å; S436-A439 PolarHBondContact O-N 3.4Å; S436-A439 WeakPolarHBondContact OG-CB 3.14Å; S436-A439 PolarHBondContact OG-N 3.03Å; A439-V442 PolarHBondContact O-N 2.79Å; A439-L443 WeakPolarHBondContact O-CB 3.37Å; A439-L443 PolarHBondContact O-N 2.9Å
440	Q	94.8	Very high	93.6	Very high	103 Å²	103	60.4 Å²	60.4	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-47.5	175.2	-69.1	179.3	-2.6	0	0	111.4	S436 E437 V442 L443 E444	S436-Q440 PolarHBondContact O-N 2.8Å; S436-Q440 VanDerWaalsContact O-N 3.14Å; E437-Q440 PolarHBondContact O-N 3.19Å; Q440-V442 VanDerWaalsContact C-N 3.33Å; Q440-V442 PolarHBondContact O-N 2.74Å; Q440-L443 PolarHBondContact O-N 2.73Å; Q440-L443 VanDerWaalsContact O-N 3.13Å; Q440-E444 WeakPolarHBondContact O-CG 3.43Å; Q440-E444 PolarHBondContact O-N 2.83Å
441	H	94.9	Very high	93.3	Very high	116 Å²	116	64 Å²	64	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-40	177.1	-177.2	-79.2	0	0	0	112.5	E437 M438 E445	E437-H441 WeakPolarHBondContact O-CB 3.2Å; E437-H441 PolarHBondContact O-N 3.41Å; M438-H441 PolarHBondContact O-N 2.68Å; H441-E445 PolarHBondContact O-N 2.62Å
442	V	94.2	Very high	92.9	Very high	20 Å²	20	67.2 Å²	67.2	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-45.1	174.3	170.1	0	0	0	0	110.4	M438 A439 Q440 E445 V446	M438-V442 WeakPolarHBondContact O-CG2 3.08Å; M438-V442 PolarHBondContact O-N 2.91Å; A439-V442 PolarHBondContact O-N 2.79Å; Q440-V442 VanDerWaalsContact C-N 3.33Å; Q440-V442 PolarHBondContact O-N 2.74Å; V442-E445 PolarHBondContact O-N 3.16Å; V442-V446 HydrophobicContact CG1-CG2 4.24Å; V442-V446 WeakPolarHBondContact O-CB 3.33Å; V442-V446 WeakPolarHBondContact O-CG2 3.47Å; V442-V446 PolarHBondContact O-N 2.98Å
443	L	94	Very high	92.4	Very high	76 Å²	76	66.1 Å²	66.1	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-38.2	-179.2	-168.9	67	0	0	0	112.3	A439 Q440 V446 S447	A439-L443 WeakPolarHBondContact O-CB 3.37Å; A439-L443 PolarHBondContact O-N 2.9Å; Q440-L443 PolarHBondContact O-N 2.73Å; Q440-L443 VanDerWaalsContact O-N 3.13Å; L443-V446 PolarHBondContact O-N 3.01Å; L443-S447 VanDerWaalsContact O-CB 3.29Å; L443-S447 WeakPolarHBondContact O-CB 3.18Å; L443-S447 PolarHBondContact O-N 3.36Å; L443-S447 PolarHBondContact O-OG 2.93Å
444	E	94.6	Very high	91.7	Very high	127 Å²	127	69.3 Å²	69.3	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-61.2	-45.3	171.7	-76.3	179.4	-178.2	0	0	111.4	Q440 S447 S448	Q440-E444 WeakPolarHBondContact O-CG 3.43Å; Q440-E444 PolarHBondContact O-N 2.83Å; E444-S447 WeakPolarHBondContact CA-OG 3.39Å; E444-S447 PolarHBondContact O-OG 3.43Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 2.96Å
445	E	94.2	Very high	91.1	Very high	43 Å²	43	71.6 Å²	71.6	20%	0.201	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-42.4	178.2	-164.8	-175.6	166	0	0	111.4	K135 I167 R169 H441 V442 S448 I449	K135-E445 IonicContact NZ-OE1 2.68Å; K135-E445 PolarHBondContact NZ-OE1 3.47Å; I167-E445 HydrophobicContact CD1-CB 3.67Å; I167-E445 HydrophobicContact CD1-CG 3.46Å; I167-E445 VanDerWaalsContact CD1-CG 3.46Å; R169-E445 IonicContact CZ-OE1 3.53Å; R169-E445 IonicContact CZ-OE2 3.45Å; R169-E445 IonicContact NH2-OE1 2.65Å; R169-E445 PolarHBondContact NH2-OE1 3.43Å; R169-E445 IonicContact NH2-OE2 2.69Å; R169-E445 PolarHBondContact NH2-OE2 3.33Å; H441-E445 PolarHBondContact O-N 2.62Å; V442-E445 PolarHBondContact O-N 3.16Å; E445-S448 PolarHBondContact O-N 3.22Å; E445-S448 PolarHBondContact O-OG 3.39Å; E445-I449 WeakPolarHBondContact O-CG1 3.46Å; E445-I449 PolarHBondContact O-N 3.36Å
446	V	93.5	Very high	90.1	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-52.5	175.9	168.4	0	0	0	0	110.3	H139 I167 V442 L443 S448 I449 A450	H139-V446 HydrophobicContact CB-CG1 4.12Å; H139-V446 VanDerWaalsContact CE1-CG1 3.42Å; H139-V446 WeakPolarHBondContact CE1-CG1 3.45Å; H139-V446 PolarHBondContact CE1-O 3.04Å; H139-V446 VanDerWaalsContact CG-CG1 3.49Å; H139-V446 WeakPolarHBondContact ND1-CG1 3.35Å; I167-V446 HydrophobicContact CD1-CG2 3.8Å; I167-V446 HydrophobicContact CG1-CG2 3.54Å; V442-V446 HydrophobicContact CG1-CG2 4.24Å; V442-V446 WeakPolarHBondContact O-CB 3.33Å; V442-V446 WeakPolarHBondContact O-CG2 3.47Å; V442-V446 PolarHBondContact O-N 2.98Å; L443-V446 PolarHBondContact O-N 3.01Å; V446-S448 VanDerWaalsContact C-N 3.3Å; V446-S448 PolarHBondContact O-N 2.92Å; V446-I449 WeakPolarHBondContact O-CB 3.45Å; V446-I449 PolarHBondContact O-N 2.88Å; V446-A450 PolarHBondContact O-N 2.89Å; V446-A450 VanDerWaalsContact O-N 3.1Å
447	S	92.5	Very high	89.2	Confident	50 Å²	50	78.1 Å²	78.1	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-35.6	178.6	60.4	0	0	0	0	112.6	L443 E444 I449 A450 N451	L443-S447 VanDerWaalsContact O-CB 3.29Å; L443-S447 WeakPolarHBondContact O-CB 3.18Å; L443-S447 PolarHBondContact O-N 3.36Å; L443-S447 PolarHBondContact O-OG 2.93Å; E444-S447 WeakPolarHBondContact CA-OG 3.39Å; E444-S447 PolarHBondContact O-OG 3.43Å; S447-I449 VanDerWaalsContact C-N 3.27Å; S447-I449 PolarHBondContact O-N 2.8Å; S447-A450 PolarHBondContact O-N 3.37Å; S447-N451 WeakPolarHBondContact O-CB 3.42Å; S447-N451 PolarHBondContact O-N 2.82Å; S447-N451 PolarHBondContact O-ND2 3.17Å
448	S	92.7	Very high	88.1	Confident	56 Å²	56	77.7 Å²	77.7	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-36.3	174.2	83.1	0	0	0	0	112.6	E444 E445 V446 R452	E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 2.96Å; E445-S448 PolarHBondContact O-N 3.22Å; E445-S448 PolarHBondContact O-OG 3.39Å; V446-S448 VanDerWaalsContact C-N 3.3Å; V446-S448 PolarHBondContact O-N 2.92Å; S448-R452 VanDerWaalsContact O-CG 3.28Å; S448-R452 WeakPolarHBondContact O-CG 3.45Å; S448-R452 PolarHBondContact O-N 3.25Å
449	I	90.6	Very high	86.6	Confident	16 Å²	16	78.5 Å²	78.5	8%	0.082	40%	0.397	C	S	.	.	H	α-helix	trans	-71.2	-44.4	177.2	-63	164.8	0	0	0	109.9	I167 L204 E445 V446 S447 R452 L453	I167-I449 HydrophobicContact CD1-CD1 3.97Å; L204-I449 HydrophobicContact CD1-CG2 4.04Å; E445-I449 WeakPolarHBondContact O-CG1 3.46Å; E445-I449 PolarHBondContact O-N 3.36Å; V446-I449 WeakPolarHBondContact O-CB 3.45Å; V446-I449 PolarHBondContact O-N 2.88Å; S447-I449 VanDerWaalsContact C-N 3.27Å; S447-I449 PolarHBondContact O-N 2.8Å; I449-R452 PolarHBondContact O-N 3.12Å; I449-L453 PolarHBondContact O-N 3.33Å
450	A	86.8	Confident	84.9	Confident	17 Å²	17	80.7 Å²	80.7	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-46.2	177.6	0	0	0	0	0	112	V446 S447 R452 L453 E454	V446-A450 PolarHBondContact O-N 2.89Å; V446-A450 VanDerWaalsContact O-N 3.1Å; S447-A450 PolarHBondContact O-N 3.37Å; A450-R452 VanDerWaalsContact C-N 3.25Å; A450-R452 PolarHBondContact O-N 2.98Å; A450-L453 WeakPolarHBondContact O-CB 3.41Å; A450-L453 PolarHBondContact O-N 2.95Å; A450-E454 PolarHBondContact O-N 3.04Å
451	N	87.9	Confident	82.6	Confident	87 Å²	87	85.5 Å²	85.5	47%	0.465	43%	0.431	S	S	.	.	H	α-helix	trans	-60.8	-34.7	178.9	-72	-22.3	0	0	0	112.4	S447 K455	S447-N451 WeakPolarHBondContact O-CB 3.42Å; S447-N451 PolarHBondContact O-N 2.82Å; S447-N451 PolarHBondContact O-ND2 3.17Å; N451-K455 WeakPolarHBondContact O-CG 3.34Å; N451-K455 PolarHBondContact O-N 3.46Å; N451-K455 VanDerWaalsContact O-N 3.16Å
452	R	86.4	Confident	80.3	Confident	194 Å²	194	89.5 Å²	89.5	73%	0.732	45%	0.447	S	S	*	.	H	α-helix	trans	-67.1	-38.3	174.8	-74.9	173.3	66.2	170.9	2.2	112.2	S448 I449 A450 Y456	S448-R452 VanDerWaalsContact O-CG 3.28Å; S448-R452 WeakPolarHBondContact O-CG 3.45Å; S448-R452 PolarHBondContact O-N 3.25Å; I449-R452 PolarHBondContact O-N 3.12Å; A450-R452 VanDerWaalsContact C-N 3.25Å; A450-R452 PolarHBondContact O-N 2.98Å; R452-Y456 PolarHBondContact O-N 3.42Å
453	L	82.7	Confident	77.9	Confident	15 Å²	15	92.8 Å²	92.8	8%	0.079	47%	0.47	C	S	.	.	H	α-helix	trans	-65.2	-47.8	175.9	177.3	64.4	0	0	0	111.1	L204 P209 I449 A450 K455 Y456 E457	L204-L453 HydrophobicContact CD1-CD2 4.03Å; L204-L453 HydrophobicContact CD2-CD2 3.62Å; P209-L453 HydrophobicContact CG-CD1 4.44Å; P209-L453 HydrophobicContact CG-CD2 4.01Å; I449-L453 PolarHBondContact O-N 3.33Å; A450-L453 WeakPolarHBondContact O-CB 3.41Å; A450-L453 PolarHBondContact O-N 2.95Å; L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 2.82Å; L453-Y456 WeakPolarHBondContact O-CA 3.03Å; L453-Y456 WeakPolarHBondContact O-CB 3.48Å; L453-Y456 PolarHBondContact O-N 3.04Å; L453-E457 HydrophobicContact CD1-CG 4.16Å; L453-E457 HydrophobicContact CG-CG 4.39Å; L453-E457 PolarHBondContact O-N 2.93Å
454	E	81	Confident	75.5	Confident	84 Å²	84	98.2 Å²	98.2	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-39	-179.2	-71	-174	176	0	0	112.3	K202 A450 Y456 E457 N458	K202-E454 IonicContact NZ-OE1 2.95Å; A450-E454 PolarHBondContact O-N 3.04Å; E454-Y456 VanDerWaalsContact C-N 3.31Å; E454-Y456 PolarHBondContact O-N 3.38Å; E454-E457 PolarHBondContact O-N 3.49Å; E454-N458 WeakPolarHBondContact O-CB 3.39Å; E454-N458 VanDerWaalsContact O-CG 3.28Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 3.11Å
455	K	80.5	Confident	73.1	Confident	167 Å²	167	98.8 Å²	98.8	73%	0.726	50%	0.498	S	S	*	.	H	α-helix	trans	-60.4	-40.2	172.2	-76.1	179.6	179.4	-179.3	0	112.4	N451 L453 G459	N451-K455 WeakPolarHBondContact O-CG 3.34Å; N451-K455 PolarHBondContact O-N 3.46Å; N451-K455 VanDerWaalsContact O-N 3.16Å; L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 2.82Å; K455-G459 PolarHBondContact O-N 3.04Å; K455-G459 VanDerWaalsContact O-N 3.16Å
456	Y	74	Confident	70.4	Confident	152 Å²	152	105.4 Å²	105.4	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-69.1	-43.3	178.2	-173.8	-92.2	0	0	0	112	R452 L453 E454 G459 S460	R452-Y456 PolarHBondContact O-N 3.42Å; L453-Y456 WeakPolarHBondContact O-CA 3.03Å; L453-Y456 WeakPolarHBondContact O-CB 3.48Å; L453-Y456 PolarHBondContact O-N 3.04Å; E454-Y456 VanDerWaalsContact C-N 3.31Å; E454-Y456 PolarHBondContact O-N 3.38Å; Y456-G459 PolarHBondContact O-N 3.27Å; Y456-S460 WeakPolarHBondContact O-CB 3.37Å; Y456-S460 PolarHBondContact O-N 3.49Å
457	E	75.7	Confident	67.9	Low	100 Å²	100	108.6 Å²	108.6	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-66.7	-37.7	178	-72	-174.9	165.2	0	0	112.6	L453 E454	L453-E457 HydrophobicContact CD1-CG 4.16Å; L453-E457 HydrophobicContact CG-CG 4.39Å; L453-E457 PolarHBondContact O-N 2.93Å; E454-E457 PolarHBondContact O-N 3.49Å
458	N	70.8	Confident	65.5	Low	144 Å²	144	110.5 Å²	110.5	77%	0.77	56%	0.562	S	S	*	*	H	α-helix	trans	-71.9	-29.3	176.9	-73.2	-22	0	0	0	112.8	E454	E454-N458 WeakPolarHBondContact O-CB 3.39Å; E454-N458 VanDerWaalsContact O-CG 3.28Å; E454-N458 PolarHBondContact O-N 2.86Å; E454-N458 PolarHBondContact O-ND2 3.11Å
459	G	63.4	Low	63.4	Low	69 Å²	69	114.3 Å²	114.3	71%	0.711	58%	0.578	S	S	*	*	H	α-helix	trans	-84	-24.9	178	0	0	0	0	0	114.6	K455 Y456	K455-G459 PolarHBondContact O-N 3.04Å; K455-G459 VanDerWaalsContact O-N 3.16Å; Y456-G459 PolarHBondContact O-N 3.27Å
460	S	58.3	Low	61.6	Low	57 Å²	57	118.1 Å²	118.1	40%	0.399	60%	0.597	S	S	.	*	S	Bend	trans	-98.3	111.5	-179.1	-164.2	0	0	0	0	110.3	Y456 K462	Y456-S460 WeakPolarHBondContact O-CB 3.37Å; Y456-S460 PolarHBondContact O-N 3.49Å; S460-K462 PolarHBondContact O-N 3.32Å
461	K	46.8	Very low	60.4	Low	205 Å²	205	121.2 Å²	121.2	89%	0.891	62%	0.618	S	S	*	*			trans	-48.9	114.2	169.8	-84	-177.6	177.9	176	0	107.9	S463	K461-S463 VanDerWaalsContact C-N 3.28Å; K461-S463 PolarHBondContact O-N 3.19Å
462	K	46	Very low	59.9	Low	200 Å²	200	119.7 Å²	119.7	87%	0.87	61%	0.607	S	S	*	*			trans	-32.6	90.2	177.9	-78.3	-178.7	176.1	175.8	0	110.7	S460 K464	S460-K462 PolarHBondContact O-N 3.32Å; K462-K464 PolarHBondContact O-N 3.31Å
463	S	44.1	Very low	59.7	Low	88 Å²	88	111.9 Å²	111.9	62%	0.615	58%	0.584	S	S	*	*			trans	-59.4	111.9	160.5	141.3	0	0	0	0	102.3	K461 D465	K461-S463 VanDerWaalsContact C-N 3.28Å; K461-S463 PolarHBondContact O-N 3.19Å; S463-D465 PolarHBondContact O-N 3.29Å
464	K	42.5	Very low	59.8	Low	191 Å²	191	111.4 Å²	111.4	83%	0.83	58%	0.583	S	S	*	*			trans	-56.3	97.8	170.7	-77.3	-178.9	177	178	0	104.6	K462 K466	K462-K464 PolarHBondContact O-N 3.31Å; K464-K466 PolarHBondContact O-N 3.08Å
465	D	44.7	Very low	60.2	Low	138 Å²	138	110.2 Å²	110.2	74%	0.738	58%	0.583	S	S	*	*			trans	-56.4	93.7	164	-83.3	-12.7	0	0	0	104.3	S463 A467	S463-D465 PolarHBondContact O-N 3.29Å; D465-A467 PolarHBondContact O-N 3.34Å; D465-A467 VanDerWaalsContact O-N 3.14Å
466	K	38.2	Very low	60.7	Low	183 Å²	183	106.3 Å²	106.3	80%	0.796	57%	0.565	S	S	*	*			trans	-45.3	128.3	168.8	-76.7	-176.7	176.3	179	0	103.7	K464 V468	K464-K466 PolarHBondContact O-N 3.08Å; K466-V468 WeakPolarHBondContact O-CG2 3.28Å; K466-V468 PolarHBondContact O-N 2.97Å
467	A	39.4	Very low	61.6	Low	67 Å²	67	106.3 Å²	106.3	55%	0.554	57%	0.568	S	S	*	*			trans	-53	97.7	176.4	0	0	0	0	0	106.8	D465 D469	D465-A467 PolarHBondContact O-N 3.34Å; D465-A467 VanDerWaalsContact O-N 3.14Å; A467-D469 PolarHBondContact O-N 3.43Å
468	V	43.4	Very low	62.4	Low	91 Å²	91	104 Å²	104	55%	0.552	56%	0.555	S	S	*	*			trans	-74.1	94.1	173.6	178.5	0	0	0	0	102.1	K466	K466-V468 WeakPolarHBondContact O-CG2 3.28Å; K466-V468 PolarHBondContact O-N 2.97Å
469	D	47.5	Very low	63.5	Low	135 Å²	135	97.2 Å²	97.2	72%	0.722	52%	0.519	S	S	*	.			trans	-48.3	143.4	167.2	-79.5	-31.4	0	0	0	107.8	A467 S471	A467-D469 PolarHBondContact O-N 3.43Å; D469-S471 VanDerWaalsContact C-N 3.27Å; D469-S471 PolarHBondContact O-N 2.9Å
470	I	54.2	Low	65	Low	96 Å²	96	95.6 Å²	95.6	49%	0.492	49%	0.493	S	S	.	.			trans	-54	95.2	179	-59.9	167.6	0	0	0	107.7	F472	I470-F472 PolarHBondContact O-N 3.37Å; I470-F472 VanDerWaalsContact O-N 3.14Å
471	S	61.8	Low	66.8	Low	82 Å²	82	99.7 Å²	99.7	57%	0.573	50%	0.504	S	S	*	.			trans	-80.9	102.3	-177.6	65.2	0	0	0	0	106.7	D469 A473	D469-S471 VanDerWaalsContact C-N 3.27Å; D469-S471 PolarHBondContact O-N 2.9Å; S471-A473 PolarHBondContact O-N 3.19Å
472	F	77	Confident	69.1	Low	55 Å²	55	93.9 Å²	93.9	24%	0.241	48%	0.479	C	S	.	.			trans	-56.7	133.6	171	-66.5	-89.5	0	0	0	109.2	I470 A474 Y568 Q569	I470-F472 PolarHBondContact O-N 3.37Å; I470-F472 VanDerWaalsContact O-N 3.14Å; F472-A474 PolarHBondContact O-N 3.07Å; F472-Y568 VanDerWaalsContact CE1-O 3.31Å; F472-Y568 WeakPolarHBondContact CE1-O 3.25Å; F472-Q569 HydrophobicContact CD2-CG 3.62Å; F472-Q569 HydrophobicContact CE1-CG 4.28Å; F472-Q569 HydrophobicContact CE2-CB 4.47Å; F472-Q569 HydrophobicContact CE2-CG 3.3Å; F472-Q569 HydrophobicContact CG-CG 4.25Å; F472-Q569 HydrophobicContact CZ-CB 4.42Å; F472-Q569 HydrophobicContact CZ-CG 3.66Å
473	A	81	Confident	71.5	Confident	31 Å²	31	84.4 Å²	84.4	26%	0.256	44%	0.438	S	S	.	.	S	Bend	trans	-63	-35.4	-178.3	0	0	0	0	0	111.8	R244 S471	R244-A473 WeakPolarHBondContact O-CB 3.35Å; S471-A473 PolarHBondContact O-N 3.19Å
474	A	86.1	Confident	73.9	Confident	5 Å²	5	81.1 Å²	81.1	4%	0.041	41%	0.414	C	S	.	.	S	Bend	trans	-90.1	150.2	175.1	0	0	0	0	0	113.4	L243 M247 F472 Q479	L243-A474 HydrophobicContact CD2-CB 4.4Å; L243-A474 WeakPolarHBondContact O-CB 3.35Å; L243-A474 PolarHBondContact O-N 2.92Å; M247-A474 HydrophobicContact CE-CB 4.02Å; F472-A474 PolarHBondContact O-N 3.07Å; A474-Q479 HydrophobicContact CB-CG 3.79Å; A474-Q479 PolarHBondContact O-NE2 3.47Å
475	S	89.2	Confident	76.5	Confident	58 Å²	58	79.5 Å²	79.5	41%	0.406	40%	0.403	S	S	.	.			trans	-74.9	152.3	175.2	64.2	0	0	0	0	109.4	F477 R478 Q479	S475-F477 VanDerWaalsContact C-N 3.29Å; S475-F477 PolarHBondContact O-N 3.3Å; S475-R478 PolarHBondContact O-N 2.94Å; S475-R478 WeakPolarHBondContact OG-CB 3.17Å; S475-Q479 WeakPolarHBondContact O-CG 3.42Å; S475-Q479 PolarHBondContact O-N 2.86Å
476	Y	91.3	Very high	78.8	Confident	86 Å²	86	73.6 Å²	73.6	34%	0.337	37%	0.371	S	S	.	.	H	α-helix	trans	-52.2	-45.8	-176.6	-177.2	-93.4	0	0	0	112.9	R478 Q479 L480 V572 F575	Y476-R478 PolarHBondContact O-N 3.44Å; Y476-Q479 WeakPolarHBondContact O-CB 3.34Å; Y476-Q479 PolarHBondContact O-N 3.37Å; Y476-L480 HydrophobicContact CE1-CD2 4.44Å; Y476-L480 PolarHBondContact O-N 3.44Å; Y476-V572 HydrophobicContact CD2-CG2 3.63Å; Y476-V572 HydrophobicContact CE2-CG2 3.38Å; Y476-V572 HydrophobicContact CG-CG2 4.38Å; Y476-F575 WeakPolarHBondContact OH-CD2 3.39Å
477	F	92.9	Very high	81.5	Confident	152 Å²	152	65.2 Å²	65.2	67%	0.667	34%	0.335	S	S	*	.	H	α-helix	trans	-66.5	-37.3	-179.7	-172.3	-101.7	0	0	0	112.9	S475 L480 K481	S475-F477 VanDerWaalsContact C-N 3.29Å; S475-F477 PolarHBondContact O-N 3.3Å; F477-L480 PolarHBondContact O-N 3.22Å; F477-K481 WeakPolarHBondContact O-CB 3.25Å; F477-K481 PolarHBondContact O-N 3.22Å
478	R	91.2	Very high	84	Confident	52 Å²	52	65.1 Å²	65.1	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-42.3	175	-178.1	179.1	177.8	139	8.6	111.2	A242 M247 R254 S475 Y476 K481 K482	A242-R478 PolarHBondContact O-NE 3Å; M247-R478 HydrophobicContact CE-CB 4.41Å; R254-R478 VanDerWaalsContact CD-NH2 3.27Å; R254-R478 VanDerWaalsContact CZ-CZ 3.47Å; R254-R478 VanDerWaalsContact NH1-NH2 3.18Å; R254-R478 VanDerWaalsContact NH2-NH1 3.14Å; S475-R478 PolarHBondContact O-N 2.94Å; S475-R478 WeakPolarHBondContact OG-CB 3.17Å; Y476-R478 PolarHBondContact O-N 3.44Å; R478-K481 PolarHBondContact O-N 2.98Å; R478-K482 WeakPolarHBondContact O-CB 3.31Å; R478-K482 WeakPolarHBondContact O-CG 3.41Å; R478-K482 PolarHBondContact O-N 2.92Å
479	Q	94.5	Very high	86.4	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-56.7	-54	173.9	-64.3	174	29.2	0	0	109.8	L243 A474 S475 Y476 K481 K482 V483 V572	L243-Q479 HydrophobicContact CD2-CB 4.23Å; L243-Q479 HydrophobicContact CD2-CG 4.14Å; A474-Q479 HydrophobicContact CB-CG 3.79Å; A474-Q479 PolarHBondContact O-NE2 3.47Å; S475-Q479 WeakPolarHBondContact O-CG 3.42Å; S475-Q479 PolarHBondContact O-N 2.86Å; Y476-Q479 WeakPolarHBondContact O-CB 3.34Å; Y476-Q479 PolarHBondContact O-N 3.37Å; Q479-K481 PolarHBondContact O-N 3.43Å; Q479-K482 PolarHBondContact O-N 3.23Å; Q479-V483 VanDerWaalsContact O-CG2 3.27Å; Q479-V483 WeakPolarHBondContact O-CG2 3.41Å; Q479-V483 PolarHBondContact O-N 2.73Å; Q479-V572 HydrophobicContact CB-CB 4.42Å; Q479-V572 HydrophobicContact CB-CG1 3.95Å; Q479-V572 HydrophobicContact CB-CG2 3.85Å
480	L	95.3	Very high	88.4	Confident	34 Å²	34	56.9 Å²	56.9	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-52	179.1	-171.9	65.5	0	0	0	112.2	Y476 F477 K482 V483 C484 V572 F575	Y476-L480 HydrophobicContact CE1-CD2 4.44Å; Y476-L480 PolarHBondContact O-N 3.44Å; F477-L480 PolarHBondContact O-N 3.22Å; L480-K482 VanDerWaalsContact C-N 3.31Å; L480-K482 PolarHBondContact O-N 2.88Å; L480-V483 PolarHBondContact O-N 3.46Å; L480-C484 WeakPolarHBondContact O-CB 3.47Å; L480-C484 PolarHBondContact O-N 3.32Å; L480-C484 PolarHBondContact O-SG 3.2Å; L480-V572 HydrophobicContact CB-CG1 4.37Å; L480-V572 HydrophobicContact CD1-CG1 4.34Å; L480-F575 HydrophobicContact CD1-CB 4.11Å
481	K	95.7	Very high	90.1	Very high	143 Å²	143	53.8 Å²	53.8	62%	0.622	26%	0.261	S	S	*	.	H	α-helix	trans	-56.1	-43.6	179.4	-176.6	175.6	-179.5	175.3	0	112.6	F477 R478 Q479 W485	F477-K481 WeakPolarHBondContact O-CB 3.25Å; F477-K481 PolarHBondContact O-N 3.22Å; R478-K481 PolarHBondContact O-N 2.98Å; Q479-K481 PolarHBondContact O-N 3.43Å; K481-W485 VanDerWaalsContact O-CB 3.27Å; K481-W485 WeakPolarHBondContact O-CB 3.31Å; K481-W485 PolarHBondContact O-N 3.29Å
482	K	95.1	Very high	91.4	Very high	84 Å²	84	55.9 Å²	55.9	37%	0.365	27%	0.265	S	S	.	.	H	α-helix	trans	-74.4	-40	-177	-73.2	-70.7	-179.4	178.5	0	112.7	F239 A242 L243 R478 Q479 L480 R486	F239-K482 HydrophobicContact CE2-CB 4.48Å; A242-K482 HydrophobicContact CB-CD 3.91Å; A242-K482 HydrophobicContact CB-CG 3.98Å; L243-K482 HydrophobicContact CD2-CB 3.99Å; L243-K482 HydrophobicContact CD2-CG 4.5Å; R478-K482 WeakPolarHBondContact O-CB 3.31Å; R478-K482 WeakPolarHBondContact O-CG 3.41Å; R478-K482 PolarHBondContact O-N 2.92Å; Q479-K482 PolarHBondContact O-N 3.23Å; L480-K482 VanDerWaalsContact C-N 3.31Å; L480-K482 PolarHBondContact O-N 2.88Å; K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 3.4Å
483	V	95.9	Very high	92.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-43.3	176.1	-175.9	0	0	0	0	110.3	F239 L243 Q479 L480 W485 R486 S487 Y568 V572 S576	F239-V483 HydrophobicContact CE2-CG2 4.17Å; F239-V483 HydrophobicContact CZ-CG2 4.04Å; L243-V483 HydrophobicContact CD1-CG2 4.24Å; Q479-V483 VanDerWaalsContact O-CG2 3.27Å; Q479-V483 WeakPolarHBondContact O-CG2 3.41Å; Q479-V483 PolarHBondContact O-N 2.73Å; L480-V483 PolarHBondContact O-N 3.46Å; V483-W485 PolarHBondContact O-N 3.07Å; V483-R486 WeakPolarHBondContact O-CB 3.41Å; V483-R486 PolarHBondContact O-N 3.49Å; V483-S487 PolarHBondContact O-N 3.05Å; V483-Y568 HydrophobicContact CG2-CD1 3.51Å; V483-Y568 HydrophobicContact CG2-CE1 3.93Å; V483-Y568 HydrophobicContact CG2-CG 4.1Å; V483-V572 HydrophobicContact CB-CG1 4.07Å; V483-V572 HydrophobicContact CG2-CG1 3.84Å; V483-S576 VanDerWaalsContact C-OG 3.28Å; V483-S576 WeakPolarHBondContact CG1-OG 3.38Å; V483-S576 PolarHBondContact O-OG 2.91Å
484	C	95.8	Very high	92.4	Very high	18 Å²	18	58.8 Å²	58.8	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-48.4	174.6	-73.9	0	0	0	0	112.2	L480 R486 S487 I488 S576 C580	L480-C484 WeakPolarHBondContact O-CB 3.47Å; L480-C484 PolarHBondContact O-N 3.32Å; L480-C484 PolarHBondContact O-SG 3.2Å; C484-R486 VanDerWaalsContact C-N 3.28Å; C484-R486 PolarHBondContact O-N 3.48Å; C484-S487 PolarHBondContact O-N 3.21Å; C484-I488 WeakPolarHBondContact O-CG1 3.44Å; C484-I488 PolarHBondContact O-N 3.05Å; C484-S576 VanDerWaalsContact CA-OG 3.26Å; C484-S576 WeakPolarHBondContact CA-OG 3.4Å; C484-S576 PolarHBondContact N-OG 3.26Å; C484-C580 WeakPolarHBondContact CB-SG 3.25Å
485	W	95.6	Very high	92.4	Very high	158 Å²	158	61.4 Å²	61.4	60%	0.598	29%	0.29	S	S	*	.	H	α-helix	trans	-58.3	-42.8	176.3	177	-105.6	0	0	0	111.8	K481 V483 I488 L489	K481-W485 VanDerWaalsContact O-CB 3.27Å; K481-W485 WeakPolarHBondContact O-CB 3.31Å; K481-W485 PolarHBondContact O-N 3.29Å; V483-W485 PolarHBondContact O-N 3.07Å; W485-I488 PolarHBondContact O-N 3.3Å; W485-L489 VanDerWaalsContact O-CB 3.31Å; W485-L489 WeakPolarHBondContact O-CB 3.48Å; W485-L489 PolarHBondContact O-N 2.97Å
486	R	95	Very high	92.2	Very high	14 Å²	14	64.1 Å²	64.1	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44	176.8	-169.1	179.8	66.6	169.8	-3.2	112	M228 L231 F239 K482 V483 C484 L489 N490 E562	M228-R486 VanDerWaalsContact SD-CD 3.59Å; M228-R486 HydrophobicContact SD-CG 3.78Å; L231-R486 HydrophobicContact CD1-CG 3.58Å; F239-R486 HydrophobicContact CD2-CB 4.26Å; F239-R486 HydrophobicContact CD2-CG 4.45Å; F239-R486 VanDerWaalsContact CE1-CZ 3.42Å; F239-R486 HydrophobicContact CE2-CB 4.09Å; F239-R486 HydrophobicContact CE2-CG 4.46Å; F239-R486 VanDerWaalsContact CZ-NH1 3.34Å; K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 3.4Å; V483-R486 WeakPolarHBondContact O-CB 3.41Å; V483-R486 PolarHBondContact O-N 3.49Å; C484-R486 VanDerWaalsContact C-N 3.28Å; C484-R486 PolarHBondContact O-N 3.48Å; R486-L489 PolarHBondContact O-N 2.84Å; R486-N490 WeakPolarHBondContact O-CB 3.39Å; R486-N490 PolarHBondContact O-N 3.4Å; R486-E562 IonicContact CZ-OE1 3.63Å; R486-E562 IonicContact CZ-OE2 3.7Å; R486-E562 IonicContact NH1-OE1 3.53Å; R486-E562 PolarHBondContact NH1-OE1 3.24Å; R486-E562 IonicContact NH1-OE2 3.34Å; R486-E562 PolarHBondContact NH1-OE2 3.4Å; R486-E562 IonicContact NH2-OE1 2.69Å; R486-E562 IonicContact NH2-OE2 3.8Å; R486-E562 PolarHBondContact NH2-OE2 2.98Å
487	S	92.8	Very high	91.6	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-49.2	175.5	-80	0	0	0	0	111.9	V483 C484 L489 N490 L491 S576	V483-S487 PolarHBondContact O-N 3.05Å; C484-S487 PolarHBondContact O-N 3.21Å; S487-L489 VanDerWaalsContact C-N 3.35Å; S487-L489 PolarHBondContact O-N 3.48Å; S487-N490 WeakPolarHBondContact O-CB 3.3Å; S487-N490 PolarHBondContact O-N 2.75Å; S487-L491 PolarHBondContact O-N 2.72Å; S487-S576 PolarHBondContact OG-OG 2.87Å
488	I	93	Very high	91.3	Very high	65 Å²	65	56.5 Å²	56.5	33%	0.333	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-46	178	-66.2	170.1	0	0	0	110.6	C484 W485 N490 L491 L492 C580	C484-I488 WeakPolarHBondContact O-CG1 3.44Å; C484-I488 PolarHBondContact O-N 3.05Å; W485-I488 PolarHBondContact O-N 3.3Å; I488-N490 VanDerWaalsContact C-N 3.27Å; I488-N490 PolarHBondContact O-N 2.67Å; I488-L491 PolarHBondContact O-N 3.21Å; I488-L492 HydrophobicContact CG2-CD1 3.95Å; I488-L492 HydrophobicContact CG2-CG 4.36Å; I488-L492 WeakPolarHBondContact O-CG 3.48Å; I488-L492 PolarHBondContact O-N 3.34Å; I488-C580 HydrophobicContact CD1-CB 4.48Å; I488-C580 HydrophobicContact CG1-CB 3.84Å
489	L	93.1	Very high	91.1	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-36.2	-179.9	-172.8	60.7	0	0	0	111.9	L231 W485 R486 S487 R493	L231-L489 HydrophobicContact CD2-CD2 3.57Å; L231-L489 HydrophobicContact CD2-CG 4.27Å; W485-L489 VanDerWaalsContact O-CB 3.31Å; W485-L489 WeakPolarHBondContact O-CB 3.48Å; W485-L489 PolarHBondContact O-N 2.97Å; R486-L489 PolarHBondContact O-N 2.84Å; S487-L489 VanDerWaalsContact C-N 3.35Å; S487-L489 PolarHBondContact O-N 3.48Å; L489-R493 HydrophobicContact CD1-CG 4.38Å; L489-R493 WeakPolarHBondContact O-CB 3.46Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.36Å; L489-R493 PolarHBondContact O-N 3.24Å; L489-R493 VanDerWaalsContact O-N 3.08Å
490	N	90.9	Very high	90.8	Very high	29 Å²	29	61.9 Å²	61.9	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-49.2	172.4	-174.8	61	0	0	0	111.6	M228 T230 R486 S487 I488 L492 R493 D494	M228-N490 HydrophobicContact CE-CB 3.35Å; M228-N490 WeakPolarHBondContact CE-OD1 3.5Å; T230-N490 WeakPolarHBondContact CB-OD1 3.03Å; T230-N490 WeakPolarHBondContact CG2-OD1 3.48Å; T230-N490 PolarHBondContact OG1-OD1 3.14Å; R486-N490 WeakPolarHBondContact O-CB 3.39Å; R486-N490 PolarHBondContact O-N 3.4Å; S487-N490 WeakPolarHBondContact O-CB 3.3Å; S487-N490 PolarHBondContact O-N 2.75Å; I488-N490 VanDerWaalsContact C-N 3.27Å; I488-N490 PolarHBondContact O-N 2.67Å; N490-L492 VanDerWaalsContact C-N 3.28Å; N490-L492 PolarHBondContact O-N 3.01Å; N490-R493 PolarHBondContact O-N 3.01Å; N490-R493 VanDerWaalsContact O-N 3.11Å; N490-D494 PolarHBondContact O-N 2.87Å
491	L	88.3	Confident	90.4	Very high	31 Å²	31	61.6 Å²	61.6	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-39.3	179.5	-176.2	64.1	0	0	0	112.2	S487 I488 D494 P495 P584 T585	S487-L491 PolarHBondContact O-N 2.72Å; I488-L491 PolarHBondContact O-N 3.21Å; L491-D494 CarbonylContact O-C 3.49Å; L491-P495 WeakPolarHBondContact O-CA 3.08Å; L491-P584 HydrophobicContact CD2-CB 3.92Å; L491-T585 HydrophobicContact CD1-CG2 3.56Å; L491-T585 HydrophobicContact CD2-CG2 3.93Å; L491-T585 HydrophobicContact CG-CG2 4.41Å
492	L	90.9	Very high	90	Very high	125 Å²	125	57 Å²	57	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-71.2	-30.7	177.4	-67.9	173.8	0	0	0	113.1	I488 N490	I488-L492 HydrophobicContact CG2-CD1 3.95Å; I488-L492 HydrophobicContact CG2-CG 4.36Å; I488-L492 WeakPolarHBondContact O-CG 3.48Å; I488-L492 PolarHBondContact O-N 3.34Å; N490-L492 VanDerWaalsContact C-N 3.28Å; N490-L492 PolarHBondContact O-N 3.01Å
493	R	91.3	Very high	89.8	Confident	75 Å²	75	57.8 Å²	57.8	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-92.6	-20.8	-176.4	-72.8	-178.7	176.2	177.4	7.1	114.3	T230 E235 L489 N490 P495	T230-R493 VanDerWaalsContact O-CD 3.25Å; T230-R493 WeakPolarHBondContact O-CD 3.47Å; T230-R493 PolarHBondContact O-NH1 3.46Å; T230-R493 VanDerWaalsContact O-NH1 3.08Å; E235-R493 IonicContact OE1-CZ 3.29Å; E235-R493 IonicContact OE1-NH1 2.75Å; E235-R493 PolarHBondContact OE1-NH1 3.34Å; E235-R493 IonicContact OE1-NH2 3.94Å; E235-R493 PolarHBondContact OE1-NH2 2.84Å; E235-R493 IonicContact OE2-CZ 2.68Å; E235-R493 IonicContact OE2-NH1 3.25Å; E235-R493 PolarHBondContact OE2-NH1 3.43Å; E235-R493 IonicContact OE2-NH2 2.79Å; L489-R493 HydrophobicContact CD1-CG 4.38Å; L489-R493 WeakPolarHBondContact O-CB 3.46Å; L489-R493 VanDerWaalsContact O-CG 3.28Å; L489-R493 WeakPolarHBondContact O-CG 3.36Å; L489-R493 PolarHBondContact O-N 3.24Å; L489-R493 VanDerWaalsContact O-N 3.08Å; N490-R493 PolarHBondContact O-N 3.01Å; N490-R493 VanDerWaalsContact O-N 3.11Å; R493-P495 VanDerWaalsContact C-CD 3.4Å
494	D	85.8	Confident	89.6	Confident	72 Å²	72	60.7 Å²	60.7	39%	0.385	32%	0.322	S	S	.	.	S	Bend	trans	-121.7	69.8	169.8	-171.6	11.5	0	0	0	109.6	T230 N490 L491 L496	T230-D494 HydrophobicContact CG2-CB 4.02Å; N490-D494 PolarHBondContact O-N 2.87Å; L491-D494 CarbonylContact O-C 3.49Å; D494-L496 PolarHBondContact O-N 3.05Å
495	P	86.2	Confident	89.5	Confident	60 Å²	60	59.9 Å²	59.9	39%	0.39	32%	0.316	S	S	.	.			trans	-78.3	-5.2	-170.2	34	-38.2	0	0	0	112.9	L491 R493 A497 S498 V499	L491-P495 WeakPolarHBondContact O-CA 3.08Å; R493-P495 VanDerWaalsContact C-CD 3.4Å; P495-A497 VanDerWaalsContact C-N 3.34Å; P495-A497 PolarHBondContact O-N 3.44Å; P495-S498 PolarHBondContact O-N 2.83Å; P495-V499 HydrophobicContact CB-CG2 4.02Å; P495-V499 WeakPolarHBondContact O-CB 3.26Å; P495-V499 WeakPolarHBondContact O-CG2 3.32Å; P495-V499 PolarHBondContact O-N 3.44Å
496	L	84.9	Confident	89.5	Confident	115 Å²	115	55.5 Å²	55.5	60%	0.602	30%	0.304	S	S	*	.	H	α-helix	trans	-54.3	-48.9	-168.5	-178.2	138.4	0	0	0	111.9	D494 S498 V499 I500	D494-L496 PolarHBondContact O-N 3.05Å; L496-S498 PolarHBondContact O-N 3.17Å; L496-V499 PolarHBondContact O-N 2.98Å; L496-I500 HydrophobicContact CD2-CD1 3.64Å; L496-I500 HydrophobicContact CG-CD1 3.99Å; L496-I500 VanDerWaalsContact O-CG1 3.27Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.35Å
497	A	79.9	Confident	89.5	Confident	55 Å²	55	61.9 Å²	61.9	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-38.6	178.5	0	0	0	0	0	112.7	P495 Q501	P495-A497 VanDerWaalsContact C-N 3.34Å; P495-A497 PolarHBondContact O-N 3.44Å; A497-Q501 VanDerWaalsContact O-CG 3.29Å; A497-Q501 WeakPolarHBondContact O-CG 3.39Å; A497-Q501 PolarHBondContact O-N 3.49Å
498	S	85.7	Confident	89.6	Confident	24 Å²	24	62.5 Å²	62.5	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-40.2	179.9	-164.5	0	0	0	0	112.1	P495 L496 Q501 T502	P495-S498 PolarHBondContact O-N 2.83Å; L496-S498 PolarHBondContact O-N 3.17Å; S498-Q501 PolarHBondContact O-N 3.5Å; S498-T502 WeakPolarHBondContact O-CB 3.39Å; S498-T502 PolarHBondContact O-N 3.07Å; S498-T502 PolarHBondContact O-OG1 2.86Å
499	V	88.5	Confident	89.8	Confident	73 Å²	73	59.4 Å²	59.4	44%	0.442	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-46.5	179.3	170.2	0	0	0	0	110.3	P495 L496 Q501 T502 I503	P495-V499 HydrophobicContact CB-CG2 4.02Å; P495-V499 WeakPolarHBondContact O-CB 3.26Å; P495-V499 WeakPolarHBondContact O-CG2 3.32Å; P495-V499 PolarHBondContact O-N 3.44Å; L496-V499 PolarHBondContact O-N 2.98Å; V499-Q501 VanDerWaalsContact C-N 3.32Å; V499-Q501 PolarHBondContact O-N 2.72Å; V499-T502 WeakPolarHBondContact O-CB 3.4Å; V499-T502 PolarHBondContact O-N 2.96Å; V499-I503 HydrophobicContact CG1-CD1 3.75Å; V499-I503 HydrophobicContact CG1-CG1 4.45Å; V499-I503 WeakPolarHBondContact O-CG1 3.3Å; V499-I503 PolarHBondContact O-N 2.83Å
500	I	87.8	Confident	90	Very high	93 Å²	93	61.7 Å²	61.7	48%	0.477	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-46.6	177.3	-69.3	168.8	0	0	0	110.5	L496 T502 I503 V504	L496-I500 HydrophobicContact CD2-CD1 3.64Å; L496-I500 HydrophobicContact CG-CD1 3.99Å; L496-I500 VanDerWaalsContact O-CG1 3.27Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.35Å; I500-T502 VanDerWaalsContact C-N 3.35Å; I500-T502 PolarHBondContact O-N 3.34Å; I500-I503 PolarHBondContact O-N 3.4Å; I500-V504 HydrophobicContact CG2-CG2 4.5Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.45Å; I500-V504 PolarHBondContact O-N 3.23Å
501	Q	85.5	Confident	90.3	Very high	28 Å²	28	61.8 Å²	61.8	13%	0.131	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-41.2	179.3	-71.6	173.8	35.7	0	0	112.3	A497 S498 V499 V504 Y505 T585 K586	A497-Q501 VanDerWaalsContact O-CG 3.29Å; A497-Q501 WeakPolarHBondContact O-CG 3.39Å; A497-Q501 PolarHBondContact O-N 3.49Å; S498-Q501 PolarHBondContact O-N 3.5Å; V499-Q501 VanDerWaalsContact C-N 3.32Å; V499-Q501 PolarHBondContact O-N 2.72Å; Q501-V504 PolarHBondContact O-N 3.08Å; Q501-Y505 WeakPolarHBondContact O-CD2 3.3Å; Q501-Y505 PolarHBondContact O-N 3.11Å; Q501-T585 PolarHBondContact OE1-O 3.41Å; Q501-K586 VanDerWaalsContact CD-NZ 3.28Å
502	T	87.6	Confident	90.6	Very high	45 Å²	45	62 Å²	62	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-46.4	176.5	-59.5	0	0	0	0	111.1	S498 V499 I500 V504 Y505 L506 F593	S498-T502 WeakPolarHBondContact O-CB 3.39Å; S498-T502 PolarHBondContact O-N 3.07Å; S498-T502 PolarHBondContact O-OG1 2.86Å; V499-T502 WeakPolarHBondContact O-CB 3.4Å; V499-T502 PolarHBondContact O-N 2.96Å; I500-T502 VanDerWaalsContact C-N 3.35Å; I500-T502 PolarHBondContact O-N 3.34Å; T502-V504 PolarHBondContact O-N 3.18Å; T502-Y505 PolarHBondContact O-N 3.37Å; T502-L506 PolarHBondContact O-N 2.63Å; T502-F593 HydrophobicContact CG2-CE2 3.34Å; T502-F593 HydrophobicContact CG2-CZ 3.45Å; T502-F593 VanDerWaalsContact CG2-CZ 3.45Å
503	I	91.6	Very high	90.9	Very high	101 Å²	101	56 Å²	56	52%	0.518	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.9	-68.7	167	0	0	0	111.1	V499 I500 Y505 L506 F507	V499-I503 HydrophobicContact CG1-CD1 3.75Å; V499-I503 HydrophobicContact CG1-CG1 4.45Å; V499-I503 WeakPolarHBondContact O-CG1 3.3Å; V499-I503 PolarHBondContact O-N 2.83Å; I500-I503 PolarHBondContact O-N 3.4Å; I503-Y505 VanDerWaalsContact C-N 3.33Å; I503-Y505 PolarHBondContact O-N 3.44Å; I503-L506 PolarHBondContact O-N 2.86Å; I503-F507 PolarHBondContact O-N 2.89Å
504	V	92.4	Very high	91.1	Very high	63 Å²	63	57.9 Å²	57.9	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-42.3	177.7	169	0	0	0	0	111.2	I500 Q501 T502 F507 F508	I500-V504 HydrophobicContact CG2-CG2 4.5Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.45Å; I500-V504 PolarHBondContact O-N 3.23Å; Q501-V504 PolarHBondContact O-N 3.08Å; T502-V504 PolarHBondContact O-N 3.18Å; V504-F507 PolarHBondContact O-N 3.47Å; V504-F508 VanDerWaalsContact O-CB 3.3Å; V504-F508 WeakPolarHBondContact O-CB 3.39Å; V504-F508 PolarHBondContact O-N 3.32Å
505	Y	92.9	Very high	91.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-41.3	176.4	-89.9	-71.4	0	0	0	113.1	Q501 T502 I503 F508 A509 Q540 V541 V544 P589 I590 M594	Q501-Y505 WeakPolarHBondContact O-CD2 3.3Å; Q501-Y505 PolarHBondContact O-N 3.11Å; T502-Y505 PolarHBondContact O-N 3.37Å; I503-Y505 VanDerWaalsContact C-N 3.33Å; I503-Y505 PolarHBondContact O-N 3.44Å; Y505-F508 PolarHBondContact O-N 3.26Å; Y505-A509 VanDerWaalsContact O-CB 3.3Å; Y505-A509 WeakPolarHBondContact O-CB 3.21Å; Y505-A509 PolarHBondContact O-N 3.43Å; Y505-Q540 HydrophobicContact CE1-CG 4.33Å; Y505-V541 HydrophobicContact CE1-CG2 4.3Å; Y505-V544 HydrophobicContact CE2-CB 4.47Å; Y505-V544 HydrophobicContact CE2-CG1 3.89Å; Y505-V544 HydrophobicContact CE2-CG2 4.33Å; Y505-P589 HydrophobicContact CD2-CB 3.4Å; Y505-P589 VanDerWaalsContact CD2-CB 3.4Å; Y505-P589 HydrophobicContact CD2-CG 4.29Å; Y505-P589 HydrophobicContact CE2-CB 3.93Å; Y505-P589 HydrophobicContact CG-CB 3.88Å; Y505-I590 HydrophobicContact CE1-CG1 3.88Å; Y505-M594 HydrophobicContact CD1-CE 3.86Å; Y505-M594 HydrophobicContact CE1-CE 3.76Å
506	L	94.6	Very high	92.1	Very high	66 Å²	66	58 Å²	58	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-47.7	175.5	176.5	61.9	0	0	0	111.3	T502 I503 A509 L510 F593 I596	T502-L506 PolarHBondContact O-N 2.63Å; I503-L506 PolarHBondContact O-N 2.86Å; L506-A509 PolarHBondContact O-N 2.9Å; L506-L510 HydrophobicContact CD1-CD1 3.92Å; L506-L510 HydrophobicContact CD1-CG 4.25Å; L506-L510 HydrophobicContact CG-CD1 4.13Å; L506-L510 WeakPolarHBondContact O-CG 3.46Å; L506-L510 PolarHBondContact O-N 3.38Å; L506-F593 HydrophobicContact CB-CD1 3.83Å; L506-F593 HydrophobicContact CB-CE1 3.94Å; L506-F593 HydrophobicContact CB-CG 4.34Å; L506-F593 HydrophobicContact CD1-CD1 3.69Å; L506-F593 HydrophobicContact CD1-CE1 3.92Å; L506-F593 HydrophobicContact CD2-CE1 4.49Å; L506-F593 HydrophobicContact CG-CD1 4.31Å; L506-F593 HydrophobicContact CG-CE1 4.33Å; L506-I596 HydrophobicContact CD1-CD1 4.03Å
507	F	96	Very high	92.6	Very high	149 Å²	149	58 Å²	58	65%	0.654	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-43.3	178	179.2	-97.1	0	0	0	112	I503 V504 S511	I503-F507 PolarHBondContact O-N 2.89Å; V504-F507 PolarHBondContact O-N 3.47Å; F507-S511 WeakPolarHBondContact O-CB 2.85Å; F507-S511 PolarHBondContact O-N 3.44Å; F507-S511 PolarHBondContact O-OG 3.29Å
508	F	95.9	Very high	93.3	Very high	19 Å²	19	61.8 Å²	61.8	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-47.5	176.5	-178	-89.6	0	0	0	111.7	V504 Y505 L510 S511 M512 F536 Q540 M594	V504-F508 VanDerWaalsContact O-CB 3.3Å; V504-F508 WeakPolarHBondContact O-CB 3.39Å; V504-F508 PolarHBondContact O-N 3.32Å; Y505-F508 PolarHBondContact O-N 3.26Å; F508-L510 PolarHBondContact O-N 3.2Å; F508-S511 WeakPolarHBondContact CA-OG 2.86Å; F508-S511 PolarHBondContact O-N 3.47Å; F508-S511 PolarHBondContact O-OG 3.08Å; F508-M512 HydrophobicContact CD1-CG 4.18Å; F508-M512 HydrophobicContact CD2-CE 4.41Å; F508-M512 HydrophobicContact CD2-CG 4.24Å; F508-M512 HydrophobicContact CE1-CB 4.42Å; F508-M512 HydrophobicContact CE1-CG 3.72Å; F508-M512 HydrophobicContact CE2-CE 3.85Å; F508-M512 HydrophobicContact CE2-CG 3.79Å; F508-M512 HydrophobicContact CE2-SD 4.46Å; F508-M512 HydrophobicContact CG-CG 4.42Å; F508-M512 HydrophobicContact CZ-CE 4.35Å; F508-M512 HydrophobicContact CZ-CG 3.5Å; F508-M512 HydrophobicContact CZ-SD 4.38Å; F508-M512 WeakPolarHBondContact O-CB 3.49Å; F508-M512 WeakPolarHBondContact O-CG 3.41Å; F508-M512 PolarHBondContact O-N 3.29Å; F508-F536 HydrophobicContact CZ-CB 4.11Å; F508-F536 WeakPolarHBondContact CZ-O 3.49Å; F508-Q540 HydrophobicContact CB-CG 4.35Å; F508-Q540 HydrophobicContact CD1-CB 4.22Å; F508-Q540 HydrophobicContact CD1-CG 3.86Å; F508-Q540 HydrophobicContact CD2-CB 3.98Å; F508-Q540 HydrophobicContact CD2-CG 3.7Å; F508-Q540 HydrophobicContact CE1-CB 3.89Å; F508-Q540 HydrophobicContact CE1-CG 4.07Å; F508-Q540 HydrophobicContact CE2-CB 3.62Å; F508-Q540 HydrophobicContact CE2-CG 3.9Å; F508-Q540 HydrophobicContact CG-CB 4.26Å; F508-Q540 HydrophobicContact CG-CG 3.68Å; F508-Q540 HydrophobicContact CZ-CB 3.57Å; F508-Q540 HydrophobicContact CZ-CG 4.08Å; F508-M594 HydrophobicContact CD1-CE 3.74Å; F508-M594 HydrophobicContact CD1-SD 4.48Å; F508-M594 HydrophobicContact CE1-CE 3.81Å; F508-M594 HydrophobicContact CE1-SD 4.49Å
509	A	96.5	Very high	93.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-41.3	-178.1	0	0	0	0	0	112.2	Y505 L506 G513 F593 I596 C597	Y505-A509 VanDerWaalsContact O-CB 3.3Å; Y505-A509 WeakPolarHBondContact O-CB 3.21Å; Y505-A509 PolarHBondContact O-N 3.43Å; L506-A509 PolarHBondContact O-N 2.9Å; A509-G513 PolarHBondContact O-N 3.39Å; A509-F593 HydrophobicContact CB-CB 4.31Å; A509-F593 WeakPolarHBondContact CB-O 3.35Å; A509-I596 HydrophobicContact CB-CB 4.37Å; A509-C597 HydrophobicContact CB-CB 4.16Å
510	L	96.9	Very high	93.5	Very high	72 Å²	72	61.2 Å²	61.2	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-68.2	-48.1	175.8	-71.8	171.3	0	0	0	111.9	L506 F508 M512 G513 I514 I596 M600	L506-L510 HydrophobicContact CD1-CD1 3.92Å; L506-L510 HydrophobicContact CD1-CG 4.25Å; L506-L510 HydrophobicContact CG-CD1 4.13Å; L506-L510 WeakPolarHBondContact O-CG 3.46Å; L506-L510 PolarHBondContact O-N 3.38Å; F508-L510 PolarHBondContact O-N 3.2Å; L510-M512 PolarHBondContact O-N 3.47Å; L510-G513 PolarHBondContact O-N 2.81Å; L510-I514 WeakPolarHBondContact O-CB 3.47Å; L510-I514 WeakPolarHBondContact O-CG1 3.38Å; L510-I514 PolarHBondContact O-N 2.94Å; L510-I596 HydrophobicContact CD2-CG2 3.97Å; L510-M600 HydrophobicContact CD2-SD 4.38Å
511	S	96.9	Very high	93.5	Very high	32 Å²	32	60.4 Å²	60.4	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-47.5	-179.5	55.4	0	0	0	0	111.8	F507 F508 I514 V515	F507-S511 WeakPolarHBondContact O-CB 2.85Å; F507-S511 PolarHBondContact O-N 3.44Å; F507-S511 PolarHBondContact O-OG 3.29Å; F508-S511 WeakPolarHBondContact CA-OG 2.86Å; F508-S511 PolarHBondContact O-N 3.47Å; F508-S511 PolarHBondContact O-OG 3.08Å; S511-I514 PolarHBondContact O-N 3.41Å; S511-V515 VanDerWaalsContact O-CG2 3.3Å; S511-V515 WeakPolarHBondContact O-CG2 3.28Å; S511-V515 PolarHBondContact O-N 2.92Å
512	M	95.9	Very high	93.6	Very high	34 Å²	34	59.5 Å²	59.5	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-37.7	176.4	-66.8	-60.4	148.5	0	0	112.3	F508 L510 I514 V515 Y516 L533 F536	F508-M512 HydrophobicContact CD1-CG 4.18Å; F508-M512 HydrophobicContact CD2-CE 4.41Å; F508-M512 HydrophobicContact CD2-CG 4.24Å; F508-M512 HydrophobicContact CE1-CB 4.42Å; F508-M512 HydrophobicContact CE1-CG 3.72Å; F508-M512 HydrophobicContact CE2-CE 3.85Å; F508-M512 HydrophobicContact CE2-CG 3.79Å; F508-M512 HydrophobicContact CE2-SD 4.46Å; F508-M512 HydrophobicContact CG-CG 4.42Å; F508-M512 HydrophobicContact CZ-CE 4.35Å; F508-M512 HydrophobicContact CZ-CG 3.5Å; F508-M512 HydrophobicContact CZ-SD 4.38Å; F508-M512 WeakPolarHBondContact O-CB 3.49Å; F508-M512 WeakPolarHBondContact O-CG 3.41Å; F508-M512 PolarHBondContact O-N 3.29Å; L510-M512 PolarHBondContact O-N 3.47Å; M512-I514 VanDerWaalsContact C-N 3.3Å; M512-I514 PolarHBondContact O-N 2.86Å; M512-V515 PolarHBondContact O-N 3.19Å; M512-Y516 WeakPolarHBondContact O-CB 3.24Å; M512-Y516 WeakPolarHBondContact O-CD2 3.39Å; M512-Y516 PolarHBondContact O-N 3.07Å; M512-Y516 HydrophobicContact SD-CD2 4.35Å; M512-Y516 HydrophobicContact SD-CE2 4Å; M512-L533 HydrophobicContact CB-CD1 4.11Å; M512-F536 HydrophobicContact CE-CB 4.46Å; M512-F536 HydrophobicContact CE-CG 4.49Å; M512-F536 HydrophobicContact SD-CB 4.12Å; M512-F536 HydrophobicContact SD-CD2 4.37Å; M512-F536 HydrophobicContact SD-CG 4.38Å
513	G	95.5	Very high	93.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-35.2	174.1	0	0	0	0	0	113.3	A509 L510 F517	A509-G513 PolarHBondContact O-N 3.39Å; L510-G513 PolarHBondContact O-N 2.81Å; G513-F517 VanDerWaalsContact O-CA 3.24Å; G513-F517 WeakPolarHBondContact O-CA 3.42Å; G513-F517 WeakPolarHBondContact O-CB 3.49Å; G513-F517 PolarHBondContact O-N 3.11Å
514	I	96.8	Very high	93.2	Very high	115 Å²	115	57.4 Å²	57.4	59%	0.59	29%	0.291	S	S	*	.	H	α-helix	trans	-74.1	-47.4	175.9	-68.6	164.7	0	0	0	110.8	L510 S511 M512 Y516 F517 M600	L510-I514 WeakPolarHBondContact O-CB 3.47Å; L510-I514 WeakPolarHBondContact O-CG1 3.38Å; L510-I514 PolarHBondContact O-N 2.94Å; S511-I514 PolarHBondContact O-N 3.41Å; M512-I514 VanDerWaalsContact C-N 3.3Å; M512-I514 PolarHBondContact O-N 2.86Å; I514-Y516 VanDerWaalsContact C-N 3.31Å; I514-Y516 PolarHBondContact O-N 2.61Å; I514-F517 WeakPolarHBondContact O-CB 3.37Å; I514-F517 PolarHBondContact O-N 3.42Å; I514-M600 HydrophobicContact CG1-CE 3.84Å
515	V	96.5	Very high	93.1	Very high	104 Å²	104	55.9 Å²	55.9	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-62.5	-40.9	-178.1	169.6	0	0	0	0	111.4	S511 M512	S511-V515 VanDerWaalsContact O-CG2 3.3Å; S511-V515 WeakPolarHBondContact O-CG2 3.28Å; S511-V515 PolarHBondContact O-N 2.92Å; M512-V515 PolarHBondContact O-N 3.19Å
516	Y	95.3	Very high	93	Very high	31 Å²	31	55.9 Å²	55.9	12%	0.122	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	25.8	-179.8	-65.2	-74.9	0	0	0	112.6	M512 I514 Q518 M519 N529 L533 F536 A601	M512-Y516 WeakPolarHBondContact O-CB 3.24Å; M512-Y516 WeakPolarHBondContact O-CD2 3.39Å; M512-Y516 PolarHBondContact O-N 3.07Å; M512-Y516 HydrophobicContact SD-CD2 4.35Å; M512-Y516 HydrophobicContact SD-CE2 4Å; I514-Y516 VanDerWaalsContact C-N 3.31Å; I514-Y516 PolarHBondContact O-N 2.61Å; Y516-Q518 PolarHBondContact O-N 3.17Å; Y516-M519 HydrophobicContact CD1-CG 4.45Å; Y516-M519 HydrophobicContact CD1-SD 3.92Å; Y516-M519 HydrophobicContact CG-SD 4.36Å; Y516-M519 VanDerWaalsContact O-CG 3.3Å; Y516-M519 WeakPolarHBondContact O-CG 3.18Å; Y516-N529 HydrophobicContact CD1-CB 3.98Å; Y516-N529 HydrophobicContact CE1-CB 4.03Å; Y516-N529 VanDerWaalsContact CE1-O 3.26Å; Y516-N529 WeakPolarHBondContact CE1-O 3.22Å; Y516-L533 HydrophobicContact CD1-CB 4.35Å; Y516-L533 HydrophobicContact CD2-CB 4.03Å; Y516-L533 HydrophobicContact CD2-CD1 3.73Å; Y516-L533 HydrophobicContact CD2-CG 4.42Å; Y516-L533 HydrophobicContact CE2-CB 4.21Å; Y516-L533 HydrophobicContact CE2-CD1 4.31Å; Y516-L533 HydrophobicContact CG-CB 4.09Å; Y516-L533 HydrophobicContact CG-CD1 4.25Å; Y516-F536 HydrophobicContact CE2-CD2 4.32Å; Y516-A601 VanDerWaalsContact O-CA 3.28Å; Y516-A601 WeakPolarHBondContact O-CA 3.38Å
517	F	96.3	Very high	92.8	Very high	114 Å²	114	53.8 Å²	53.8	50%	0.5	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	122.5	-174.5	-172.1	-98.6	0	0	0	111.9	G513 I514 M519 M600	G513-F517 VanDerWaalsContact O-CA 3.24Å; G513-F517 WeakPolarHBondContact O-CA 3.42Å; G513-F517 WeakPolarHBondContact O-CB 3.49Å; G513-F517 PolarHBondContact O-N 3.11Å; I514-F517 WeakPolarHBondContact O-CB 3.37Å; I514-F517 PolarHBondContact O-N 3.42Å; F517-M519 PolarHBondContact O-N 2.87Å; F517-M600 HydrophobicContact CD2-CB 4.37Å; F517-M600 HydrophobicContact CD2-CE 4.21Å
518	Q	93.6	Very high	92.6	Very high	135 Å²	135	53.2 Å²	53.2	63%	0.631	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	42	66.6	179.5	-63.8	-172	-4.6	0	0	113.7	Y516 N520 M600	Y516-Q518 PolarHBondContact O-N 3.17Å; Q518-N520 PolarHBondContact O-N 2.94Å; Q518-M600 PolarHBondContact N-O 3.32Å
519	M	91.9	Very high	92.5	Very high	17 Å²	17	54.8 Å²	54.8	8%	0.084	28%	0.281	C	S	.	.			trans	-55.4	136.8	-178.5	-64.7	-178.1	-69.1	0	0	112.2	Y516 F517 N529 R530 L533 A601 L603	Y516-M519 HydrophobicContact CD1-CG 4.45Å; Y516-M519 HydrophobicContact CD1-SD 3.92Å; Y516-M519 HydrophobicContact CG-SD 4.36Å; Y516-M519 VanDerWaalsContact O-CG 3.3Å; Y516-M519 WeakPolarHBondContact O-CG 3.18Å; F517-M519 PolarHBondContact O-N 2.87Å; M519-N529 HydrophobicContact CG-CB 4.24Å; M519-N529 VanDerWaalsContact SD-C 3.58Å; M519-N529 HydrophobicContact SD-CB 3.72Å; M519-R530 HydrophobicContact CE-CB 4.37Å; M519-R530 HydrophobicContact CE-CG 3.42Å; M519-R530 VanDerWaalsContact CE-CG 3.42Å; M519-R530 HydrophobicContact SD-CB 4.44Å; M519-R530 HydrophobicContact SD-CG 3.8Å; M519-L533 HydrophobicContact CE-CD2 3.85Å; M519-L533 HydrophobicContact SD-CD2 4.49Å; M519-A601 HydrophobicContact CE-CB 4.1Å; M519-A601 PolarHBondContact N-O 2.95Å; M519-L603 HydrophobicContact CE-CD2 3.66Å; M519-L603 HydrophobicContact CE-CG 4.36Å
520	N	88.3	Confident	92.4	Very high	67 Å²	67	55 Å²	55	36%	0.358	28%	0.282	S	S	.	.			trans	-77.7	160.3	175.7	61.6	1.1	0	0	0	112.3	Q518 S522 S525 G526 R530	Q518-N520 PolarHBondContact O-N 2.94Å; N520-S522 VanDerWaalsContact C-N 3.3Å; N520-S522 PolarHBondContact ND2-OG 3.28Å; N520-S522 PolarHBondContact OD1-OG 3.34Å; N520-S525 PolarHBondContact ND2-OG 3.37Å; N520-S525 PolarHBondContact OD1-OG 3.28Å; N520-G526 WeakPolarHBondContact O-CA 3.28Å; N520-R530 PolarHBondContact O-NH1 3.5Å
521	D	87.3	Confident	92.3	Very high	76 Å²	76	51.6 Å²	51.6	41%	0.406	26%	0.264	S	S	.	.			trans	-98.5	30.6	176.4	-62.8	-17.3	0	0	0	111.4	R530 F695 C696	D521-R530 IonicContact OD1-CZ 3.35Å; D521-R530 VanDerWaalsContact OD1-CZ 3.27Å; D521-R530 IonicContact OD1-NH1 3.33Å; D521-R530 PolarHBondContact OD1-NH1 3.25Å; D521-R530 IonicContact OD1-NH2 3.45Å; D521-R530 PolarHBondContact OD1-NH2 3.33Å; D521-F695 HydrophobicContact CB-CD1 4.48Å; D521-F695 WeakPolarHBondContact O-CA 3.22Å; D521-C696 PolarHBondContact O-N 3.34Å
522	S	87.9	Confident	92.2	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.063	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-76	147.5	176.6	68.3	0	0	0	0	111	N520 E524 S525 G526 C696	N520-S522 VanDerWaalsContact C-N 3.3Å; N520-S522 PolarHBondContact ND2-OG 3.28Å; N520-S522 PolarHBondContact OD1-OG 3.34Å; S522-E524 WeakPolarHBondContact CB-OE2 3.35Å; S522-E524 PolarHBondContact O-N 3.28Å; S522-S525 PolarHBondContact OG-N 3.31Å; S522-S525 PolarHBondContact OG-OG 3.25Å; S522-G526 WeakPolarHBondContact O-CA 3.35Å; S522-G526 PolarHBondContact O-N 3.02Å; S522-C696 CarbonylContact C-O 3.6Å; S522-C696 VanDerWaalsContact CA-O 3.32Å; S522-C696 WeakPolarHBondContact CA-O 3.06Å
523	L	85.4	Confident	92.2	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30	176.2	-174	64.5	0	0	0	111.8	I527 F695 C696 P697 R707 Q710	L523-I527 HydrophobicContact CD1-CD1 4.33Å; L523-F695 HydrophobicContact CB-CB 4.43Å; L523-F695 HydrophobicContact CD1-CB 4.05Å; L523-C696 PolarHBondContact N-O 2.9Å; L523-P697 HydrophobicContact CB-CB 4.48Å; L523-R707 HydrophobicContact CD2-CB 4.39Å; L523-Q710 HydrophobicContact CD1-CB 4.1Å
524	E	84.8	Confident	92.2	Very high	66 Å²	66	48.9 Å²	48.9	31%	0.308	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.2	-175.7	-62.7	79.5	-176.2	0	0	113.3	S522 P697 M698	S522-E524 WeakPolarHBondContact CB-OE2 3.35Å; S522-E524 PolarHBondContact O-N 3.28Å; E524-P697 WeakPolarHBondContact OE1-CA 3.44Å; E524-P697 WeakPolarHBondContact OE1-CB 3.37Å; E524-M698 PolarHBondContact OE1-N 3.35Å; E524-M698 PolarHBondContact OE2-N 3.37Å
525	S	89.3	Confident	92.2	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-26.6	-173.6	56.6	0	0	0	0	114.7	N520 S522 I527 Q528 N529	N520-S525 PolarHBondContact ND2-OG 3.37Å; N520-S525 PolarHBondContact OD1-OG 3.28Å; S522-S525 PolarHBondContact OG-N 3.31Å; S522-S525 PolarHBondContact OG-OG 3.25Å; S525-I527 PolarHBondContact O-N 3.25Å; S525-Q528 PolarHBondContact O-N 3.46Å; S525-N529 VanDerWaalsContact O-CB 3.3Å; S525-N529 WeakPolarHBondContact O-CB 3.36Å; S525-N529 VanDerWaalsContact O-CG 3.26Å; S525-N529 PolarHBondContact O-N 3.48Å
526	G	91.1	Very high	92.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-41.2	-169	0	0	0	0	0	114.3	N520 S522 R530	N520-G526 WeakPolarHBondContact O-CA 3.28Å; S522-G526 WeakPolarHBondContact O-CA 3.35Å; S522-G526 PolarHBondContact O-N 3.02Å; G526-R530 WeakPolarHBondContact O-CG 3.03Å; G526-R530 PolarHBondContact O-N 3.45Å; G526-R530 PolarHBondContact O-NH1 2.91Å
527	I	91.5	Very high	92.2	Very high	22 Å²	22	41.2 Å²	41.2	11%	0.113	20%	0.203	C	C	.	.	H	α-helix	trans	-70.1	-48.2	178.1	-62.2	174.4	0	0	0	110.8	L523 S525 N529 R530 T531 M690 F695 Y715	L523-I527 HydrophobicContact CD1-CD1 4.33Å; S525-I527 PolarHBondContact O-N 3.25Å; I527-N529 VanDerWaalsContact C-N 3.35Å; I527-N529 PolarHBondContact O-N 3.34Å; I527-R530 PolarHBondContact O-N 2.87Å; I527-T531 WeakPolarHBondContact O-CB 3.45Å; I527-T531 PolarHBondContact O-N 3.45Å; I527-T531 PolarHBondContact O-OG1 3.3Å; I527-M690 HydrophobicContact CG2-CE 4.46Å; I527-F695 HydrophobicContact CD1-CB 4.39Å; I527-F695 HydrophobicContact CD1-CD2 3.74Å; I527-F695 HydrophobicContact CD1-CE2 4.18Å; I527-F695 HydrophobicContact CD1-CG 4.01Å; I527-F695 HydrophobicContact CG1-CB 4.47Å; I527-F695 HydrophobicContact CG1-CD1 3.86Å; I527-F695 HydrophobicContact CG1-CD2 3.53Å; I527-F695 HydrophobicContact CG1-CE1 3.92Å; I527-F695 HydrophobicContact CG1-CE2 3.58Å; I527-F695 HydrophobicContact CG1-CG 3.68Å; I527-F695 HydrophobicContact CG1-CZ 3.78Å; I527-Y715 HydrophobicContact CG2-CD1 4.26Å; I527-Y715 HydrophobicContact CG2-CD2 3.55Å; I527-Y715 HydrophobicContact CG2-CE1 4.42Å; I527-Y715 HydrophobicContact CG2-CE2 3.74Å; I527-Y715 HydrophobicContact CG2-CG 3.83Å
528	Q	91.4	Very high	92.3	Very high	136 Å²	136	35.8 Å²	35.8	64%	0.636	18%	0.179	S	C	*	.	H	α-helix	trans	-63.5	-42.1	-177.6	-175.1	177	1.1	0	0	111.3	S525 T531 G532	S525-Q528 PolarHBondContact O-N 3.46Å; Q528-T531 PolarHBondContact O-N 2.9Å; Q528-G532 PolarHBondContact O-N 3.42Å
529	N	94.1	Very high	92.4	Very high	52 Å²	52	31.2 Å²	31.2	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-64.3	-46.9	179.9	-74.3	-9.5	0	0	0	111.8	Y516 M519 S525 I527 T531 G532 L533	Y516-N529 HydrophobicContact CD1-CB 3.98Å; Y516-N529 HydrophobicContact CE1-CB 4.03Å; Y516-N529 VanDerWaalsContact CE1-O 3.26Å; Y516-N529 WeakPolarHBondContact CE1-O 3.22Å; M519-N529 HydrophobicContact CG-CB 4.24Å; M519-N529 VanDerWaalsContact SD-C 3.58Å; M519-N529 HydrophobicContact SD-CB 3.72Å; S525-N529 VanDerWaalsContact O-CB 3.3Å; S525-N529 WeakPolarHBondContact O-CB 3.36Å; S525-N529 VanDerWaalsContact O-CG 3.26Å; S525-N529 PolarHBondContact O-N 3.48Å; I527-N529 VanDerWaalsContact C-N 3.35Å; I527-N529 PolarHBondContact O-N 3.34Å; N529-T531 PolarHBondContact O-N 2.85Å; N529-G532 PolarHBondContact O-N 3.05Å; N529-L533 WeakPolarHBondContact O-CB 3.28Å; N529-L533 PolarHBondContact O-N 2.86Å
530	R	94.5	Very high	92.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-45.2	176.5	-79.1	173.9	171.8	86.8	-5	112.5	M519 N520 D521 G526 I527 G532 L533 F534 L603 E689 M690	M519-R530 HydrophobicContact CE-CB 4.37Å; M519-R530 HydrophobicContact CE-CG 3.42Å; M519-R530 VanDerWaalsContact CE-CG 3.42Å; M519-R530 HydrophobicContact SD-CB 4.44Å; M519-R530 HydrophobicContact SD-CG 3.8Å; N520-R530 PolarHBondContact O-NH1 3.5Å; D521-R530 IonicContact OD1-CZ 3.35Å; D521-R530 VanDerWaalsContact OD1-CZ 3.27Å; D521-R530 IonicContact OD1-NH1 3.33Å; D521-R530 PolarHBondContact OD1-NH1 3.25Å; D521-R530 IonicContact OD1-NH2 3.45Å; D521-R530 PolarHBondContact OD1-NH2 3.33Å; G526-R530 WeakPolarHBondContact O-CG 3.03Å; G526-R530 PolarHBondContact O-N 3.45Å; G526-R530 PolarHBondContact O-NH1 2.91Å; I527-R530 PolarHBondContact O-N 2.87Å; R530-G532 VanDerWaalsContact C-N 3.34Å; R530-L533 PolarHBondContact O-N 3.49Å; R530-F534 WeakPolarHBondContact O-CG 3.43Å; R530-F534 PolarHBondContact O-N 3.36Å; R530-F534 VanDerWaalsContact O-N 3.09Å; R530-L603 HydrophobicContact CG-CD2 4.48Å; R530-E689 IonicContact CZ-OE1 3.27Å; R530-E689 IonicContact NE-OE1 3.18Å; R530-E689 PolarHBondContact NE-OE1 3.19Å; R530-E689 IonicContact NH2-OE1 2.64Å; R530-M690 HydrophobicContact CB-CE 3.57Å; R530-M690 HydrophobicContact CG-CE 4.43Å
531	T	93.3	Very high	92.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-41.6	178.7	-49	0	0	0	0	111	I527 Q528 N529 F534 Y535 F658 M682 L686 Y715	I527-T531 WeakPolarHBondContact O-CB 3.45Å; I527-T531 PolarHBondContact O-N 3.45Å; I527-T531 PolarHBondContact O-OG1 3.3Å; Q528-T531 PolarHBondContact O-N 2.9Å; N529-T531 PolarHBondContact O-N 2.85Å; T531-F534 PolarHBondContact O-N 2.95Å; T531-Y535 WeakPolarHBondContact O-CB 3.2Å; T531-Y535 PolarHBondContact O-N 3.4Å; T531-F658 HydrophobicContact CG2-CD2 3.41Å; T531-F658 VanDerWaalsContact CG2-CD2 3.41Å; T531-F658 HydrophobicContact CG2-CE2 3.77Å; T531-F658 HydrophobicContact CG2-CG 4.48Å; T531-M682 HydrophobicContact CG2-CE 3.92Å; T531-L686 HydrophobicContact CG2-CD1 4.28Å; T531-L686 HydrophobicContact CG2-CD2 4.22Å; T531-Y715 WeakPolarHBondContact CG2-OH 3.45Å
532	G	94.6	Very high	93.3	Very high	4 Å²	4	25.1 Å²	25.1	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-46	175	0	0	0	0	0	112.6	Q528 N529 R530 F534 Y535 F536	Q528-G532 PolarHBondContact O-N 3.42Å; N529-G532 PolarHBondContact O-N 3.05Å; R530-G532 VanDerWaalsContact C-N 3.34Å; G532-F534 PolarHBondContact O-N 2.99Å; G532-Y535 WeakPolarHBondContact O-CB 3.47Å; G532-Y535 PolarHBondContact O-N 3.02Å; G532-F536 WeakPolarHBondContact O-CD2 3.28Å; G532-F536 PolarHBondContact O-N 2.76Å
533	L	96.3	Very high	93.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-52.5	176.3	175	62.8	0	0	0	111.6	M512 Y516 M519 N529 R530 Y535 F536 C537 A601 L603	M512-L533 HydrophobicContact CB-CD1 4.11Å; Y516-L533 HydrophobicContact CD1-CB 4.35Å; Y516-L533 HydrophobicContact CD2-CB 4.03Å; Y516-L533 HydrophobicContact CD2-CD1 3.73Å; Y516-L533 HydrophobicContact CD2-CG 4.42Å; Y516-L533 HydrophobicContact CE2-CB 4.21Å; Y516-L533 HydrophobicContact CE2-CD1 4.31Å; Y516-L533 HydrophobicContact CG-CB 4.09Å; Y516-L533 HydrophobicContact CG-CD1 4.25Å; M519-L533 HydrophobicContact CE-CD2 3.85Å; M519-L533 HydrophobicContact SD-CD2 4.49Å; N529-L533 WeakPolarHBondContact O-CB 3.28Å; N529-L533 PolarHBondContact O-N 2.86Å; R530-L533 PolarHBondContact O-N 3.49Å; L533-Y535 VanDerWaalsContact C-N 3.27Å; L533-Y535 PolarHBondContact O-N 3.1Å; L533-F536 PolarHBondContact O-N 3.4Å; L533-C537 PolarHBondContact O-N 3.05Å; L533-C537 PolarHBondContact O-SG 2.95Å; L533-C537 VanDerWaalsContact O-SG 3.33Å; L533-A601 HydrophobicContact CD2-CB 3.49Å; L533-A601 VanDerWaalsContact CD2-CB 3.49Å; L533-L603 HydrophobicContact CD2-CD1 4.17Å; L533-L603 HydrophobicContact CD2-CD2 4.39Å; L533-L603 HydrophobicContact CD2-CG 4.47Å
534	F	96.3	Very high	93.9	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-34.3	179.5	-67.1	-22.6	0	0	0	113.1	R530 T531 G532 T538 L603 F613 M682 L685 L686 E689	R530-F534 WeakPolarHBondContact O-CG 3.43Å; R530-F534 PolarHBondContact O-N 3.36Å; R530-F534 VanDerWaalsContact O-N 3.09Å; T531-F534 PolarHBondContact O-N 2.95Å; G532-F534 PolarHBondContact O-N 2.99Å; F534-T538 VanDerWaalsContact O-CB 3.31Å; F534-T538 WeakPolarHBondContact O-CB 3.44Å; F534-T538 PolarHBondContact O-N 3.02Å; F534-T538 PolarHBondContact O-OG1 3.33Å; F534-L603 HydrophobicContact CE1-CD1 3.72Å; F534-L603 HydrophobicContact CE1-CD2 3.95Å; F534-L603 HydrophobicContact CZ-CD1 4.25Å; F534-L603 HydrophobicContact CZ-CD2 3.82Å; F534-F613 HydrophobicContact CD1-CE2 4.12Å; F534-F613 HydrophobicContact CE1-CD2 4.05Å; F534-F613 AromaticContact CE1-CE2 3.88Å; F534-F613 HydrophobicContact CE1-CE2 3.88Å; F534-M682 HydrophobicContact CB-CE 4.01Å; F534-M682 HydrophobicContact CB-SD 3.88Å; F534-L685 HydrophobicContact CB-CB 4.26Å; F534-L685 HydrophobicContact CB-CD1 3.96Å; F534-L685 HydrophobicContact CD1-CB 4.24Å; F534-L685 HydrophobicContact CD1-CD1 4.21Å; F534-L685 HydrophobicContact CD2-CB 3.66Å; F534-L685 HydrophobicContact CE1-CB 4.5Å; F534-L685 HydrophobicContact CE2-CB 3.96Å; F534-L685 WeakPolarHBondContact CE2-O 3.4Å; F534-L685 HydrophobicContact CG-CB 3.81Å; F534-L685 HydrophobicContact CG-CD1 4.09Å; F534-L685 HydrophobicContact CZ-CB 4.37Å; F534-L686 HydrophobicContact CD2-CD2 3.83Å; F534-L686 HydrophobicContact CD2-CG 4.13Å; F534-L686 HydrophobicContact CE2-CD2 4.3Å; F534-E689 HydrophobicContact CE2-CB 3.59Å; F534-E689 HydrophobicContact CE2-CG 3.93Å; F534-E689 HydrophobicContact CZ-CB 3.73Å; F534-E689 HydrophobicContact CZ-CG 3.91Å
535	Y	95.9	Very high	94.3	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-49	174.8	-176.9	-102.9	0	0	0	111.4	T531 G532 L533 T538 L539 M653 F658 L659 M682	T531-Y535 WeakPolarHBondContact O-CB 3.2Å; T531-Y535 PolarHBondContact O-N 3.4Å; G532-Y535 WeakPolarHBondContact O-CB 3.47Å; G532-Y535 PolarHBondContact O-N 3.02Å; L533-Y535 VanDerWaalsContact C-N 3.27Å; L533-Y535 PolarHBondContact O-N 3.1Å; Y535-T538 PolarHBondContact O-N 3.08Å; Y535-L539 HydrophobicContact CE1-CD1 4.04Å; Y535-L539 VanDerWaalsContact O-CB 3.27Å; Y535-L539 WeakPolarHBondContact O-CB 3.36Å; Y535-L539 PolarHBondContact O-N 2.87Å; Y535-M653 HydrophobicContact CE1-CE 4.24Å; Y535-M653 HydrophobicContact CE2-CG 4.4Å; Y535-M653 WeakPolarHBondContact OH-CE 3.48Å; Y535-M653 WeakPolarHBondContact OH-CG 3.32Å; Y535-F658 AromaticContact CD1-CD1 3.64Å; Y535-F658 HydrophobicContact CD1-CD1 3.64Å; Y535-F658 AromaticContact CD1-CE1 3.74Å; Y535-F658 HydrophobicContact CD1-CE1 3.74Å; Y535-F658 HydrophobicContact CD2-CB 3.63Å; Y535-F658 AromaticContact CD2-CD1 3.47Å; Y535-F658 HydrophobicContact CD2-CD1 3.47Å; Y535-F658 VanDerWaalsContact CD2-CD1 3.47Å; Y535-F658 HydrophobicContact CD2-CE1 4.37Å; Y535-F658 AromaticContact CD2-CG 3.77Å; Y535-F658 HydrophobicContact CD2-CG 3.77Å; Y535-F658 AromaticContact CE1-CD1 3.86Å; Y535-F658 HydrophobicContact CE1-CD1 3.86Å; Y535-F658 HydrophobicContact CE1-CE1 4.11Å; Y535-F658 HydrophobicContact CE2-CB 3.97Å; Y535-F658 AromaticContact CE2-CD1 3.71Å; Y535-F658 HydrophobicContact CE2-CD1 3.71Å; Y535-F658 HydrophobicContact CE2-CG 4.24Å; Y535-F658 HydrophobicContact CG-CB 4.3Å; Y535-F658 AromaticContact CG-CD1 3.4Å; Y535-F658 HydrophobicContact CG-CD1 3.4Å; Y535-F658 VanDerWaalsContact CG-CD1 3.4Å; Y535-F658 AromaticContact CG-CE1 3.86Å; Y535-F658 HydrophobicContact CG-CE1 3.86Å; Y535-F658 AromaticContact CG-CG 3.93Å; Y535-F658 HydrophobicContact CG-CG 3.93Å; Y535-F658 AromaticContact CZ-CD1 3.86Å; Y535-L659 VanDerWaalsContact OH-CD1 3.23Å; Y535-L659 WeakPolarHBondContact OH-CD1 3.42Å; Y535-M682 VanDerWaalsContact CA-SD 3.51Å; Y535-M682 PolarHBondContact N-SD 3.45Å; Y535-M682 VanDerWaalsContact N-SD 3.41Å
536	F	96.1	Very high	94.5	Very high	79 Å²	79	23.9 Å²	23.9	35%	0.346	12%	0.116	S	C	.	.	H	α-helix	trans	-65.8	-40.6	177.4	-71.3	-59.5	0	0	0	112.5	F508 M512 Y516 G532 L533 T538 L539 Q540	F508-F536 HydrophobicContact CZ-CB 4.11Å; F508-F536 WeakPolarHBondContact CZ-O 3.49Å; M512-F536 HydrophobicContact CE-CB 4.46Å; M512-F536 HydrophobicContact CE-CG 4.49Å; M512-F536 HydrophobicContact SD-CB 4.12Å; M512-F536 HydrophobicContact SD-CD2 4.37Å; M512-F536 HydrophobicContact SD-CG 4.38Å; Y516-F536 HydrophobicContact CE2-CD2 4.32Å; G532-F536 WeakPolarHBondContact O-CD2 3.28Å; G532-F536 PolarHBondContact O-N 2.76Å; L533-F536 PolarHBondContact O-N 3.4Å; F536-T538 PolarHBondContact O-N 2.87Å; F536-L539 PolarHBondContact O-N 3.34Å; F536-Q540 WeakPolarHBondContact O-CB 3.45Å; F536-Q540 PolarHBondContact O-N 3.38Å
537	C	96.9	Very high	94.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.2	-70.7	0	0	0	0	111.5	L533 Q540 V541 L617	L533-C537 PolarHBondContact O-N 3.05Å; L533-C537 PolarHBondContact O-SG 2.95Å; L533-C537 VanDerWaalsContact O-SG 3.33Å; C537-Q540 PolarHBondContact O-N 2.59Å; C537-V541 VanDerWaalsContact O-CG2 3.31Å; C537-V541 WeakPolarHBondContact O-CG2 3.26Å; C537-V541 PolarHBondContact O-N 3.11Å; C537-V541 VanDerWaalsContact O-N 3.08Å; C537-L617 HydrophobicContact CB-CD2 4.36Å
538	T	96.9	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-44.4	177.4	-62.6	0	0	0	0	111.1	F534 Y535 F536 V541 I542 T620 F678 S681	F534-T538 VanDerWaalsContact O-CB 3.31Å; F534-T538 WeakPolarHBondContact O-CB 3.44Å; F534-T538 PolarHBondContact O-N 3.02Å; F534-T538 PolarHBondContact O-OG1 3.33Å; Y535-T538 PolarHBondContact O-N 3.08Å; F536-T538 PolarHBondContact O-N 2.87Å; T538-V541 PolarHBondContact O-N 3.11Å; T538-I542 HydrophobicContact CG2-CD1 3.78Å; T538-I542 WeakPolarHBondContact O-CG1 3.33Å; T538-I542 PolarHBondContact O-N 3.43Å; T538-I542 VanDerWaalsContact O-N 3.08Å; T538-T620 HydrophobicContact CG2-CG2 4.36Å; T538-F678 HydrophobicContact CG2-CB 4.42Å; T538-F678 HydrophobicContact CG2-CD1 3.55Å; T538-F678 HydrophobicContact CG2-CE1 4.04Å; T538-F678 HydrophobicContact CG2-CG 4.1Å; T538-S681 WeakPolarHBondContact CG2-OG 3.24Å; T538-S681 PolarHBondContact OG1-OG 3.37Å
539	L	95.8	Very high	94.3	Very high	39 Å²	39	19.1 Å²	19.1	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-59.1	-49.1	177.9	-172.5	151.8	0	0	0	111.1	Y535 F536 V541 I542 F543 M653 F678	Y535-L539 HydrophobicContact CE1-CD1 4.04Å; Y535-L539 VanDerWaalsContact O-CB 3.27Å; Y535-L539 WeakPolarHBondContact O-CB 3.36Å; Y535-L539 PolarHBondContact O-N 2.87Å; F536-L539 PolarHBondContact O-N 3.34Å; L539-V541 PolarHBondContact O-N 2.94Å; L539-I542 PolarHBondContact O-N 3.31Å; L539-F543 HydrophobicContact CD2-CD2 4.01Å; L539-F543 HydrophobicContact CG-CD2 3.89Å; L539-F543 HydrophobicContact CG-CE2 4.13Å; L539-F543 WeakPolarHBondContact O-CD2 3.25Å; L539-F543 PolarHBondContact O-N 3.34Å; L539-M653 HydrophobicContact CD1-CE 3.59Å; L539-M653 HydrophobicContact CD1-SD 4.02Å; L539-F678 HydrophobicContact CB-CE1 4.16Å
540	Q	94.9	Very high	93.9	Very high	31 Å²	31	21.5 Å²	21.5	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-48.2	179.6	-179	62.4	14.7	0	0	111.9	Y505 F508 F536 C537 I542 F543 V544	Y505-Q540 HydrophobicContact CE1-CG 4.33Å; F508-Q540 HydrophobicContact CB-CG 4.35Å; F508-Q540 HydrophobicContact CD1-CB 4.22Å; F508-Q540 HydrophobicContact CD1-CG 3.86Å; F508-Q540 HydrophobicContact CD2-CB 3.98Å; F508-Q540 HydrophobicContact CD2-CG 3.7Å; F508-Q540 HydrophobicContact CE1-CB 3.89Å; F508-Q540 HydrophobicContact CE1-CG 4.07Å; F508-Q540 HydrophobicContact CE2-CB 3.62Å; F508-Q540 HydrophobicContact CE2-CG 3.9Å; F508-Q540 HydrophobicContact CG-CB 4.26Å; F508-Q540 HydrophobicContact CG-CG 3.68Å; F508-Q540 HydrophobicContact CZ-CB 3.57Å; F508-Q540 HydrophobicContact CZ-CG 4.08Å; F536-Q540 WeakPolarHBondContact O-CB 3.45Å; F536-Q540 PolarHBondContact O-N 3.38Å; C537-Q540 PolarHBondContact O-N 2.59Å; Q540-I542 VanDerWaalsContact C-N 3.28Å; Q540-I542 PolarHBondContact O-N 2.83Å; Q540-F543 PolarHBondContact O-N 3.37Å; Q540-V544 HydrophobicContact CG-CG2 4.43Å; Q540-V544 VanDerWaalsContact NE2-CG2 3.28Å; Q540-V544 VanDerWaalsContact O-CG2 3.25Å; Q540-V544 WeakPolarHBondContact O-CG2 3.35Å; Q540-V544 PolarHBondContact O-N 2.91Å; Q540-V544 VanDerWaalsContact O-N 3.1Å
541	V	95.9	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-35.2	-177.6	171.2	0	0	0	0	112	Y505 C537 T538 L539 N545 I590 M594 L617 T620	Y505-V541 HydrophobicContact CE1-CG2 4.3Å; C537-V541 VanDerWaalsContact O-CG2 3.31Å; C537-V541 WeakPolarHBondContact O-CG2 3.26Å; C537-V541 PolarHBondContact O-N 3.11Å; C537-V541 VanDerWaalsContact O-N 3.08Å; T538-V541 PolarHBondContact O-N 3.11Å; L539-V541 PolarHBondContact O-N 2.94Å; V541-N545 PolarHBondContact O-ND2 3.34Å; V541-I590 HydrophobicContact CG1-CD1 3.79Å; V541-I590 HydrophobicContact CG2-CD1 3.94Å; V541-I590 HydrophobicContact CG2-CG1 4.33Å; V541-M594 HydrophobicContact CG2-CE 4.1Å; V541-L617 WeakPolarHBondContact CG1-O 3.34Å; V541-L617 HydrophobicContact CG2-CB 4.5Å; V541-L617 HydrophobicContact CG2-CD2 4.34Å; V541-T620 HydrophobicContact CG1-CG2 4.05Å
542	I	96.7	Very high	93.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-75.6	-48.9	177.8	-67	172.3	0	0	0	111.1	T538 L539 Q540 V544 N545 T620 A624 Y649 I677 F678	T538-I542 HydrophobicContact CG2-CD1 3.78Å; T538-I542 WeakPolarHBondContact O-CG1 3.33Å; T538-I542 PolarHBondContact O-N 3.43Å; T538-I542 VanDerWaalsContact O-N 3.08Å; L539-I542 PolarHBondContact O-N 3.31Å; Q540-I542 VanDerWaalsContact C-N 3.28Å; Q540-I542 PolarHBondContact O-N 2.83Å; I542-V544 PolarHBondContact O-N 3.34Å; I542-N545 WeakPolarHBondContact O-CB 3.38Å; I542-N545 PolarHBondContact O-N 3.29Å; I542-N545 VanDerWaalsContact O-N 3.11Å; I542-T620 HydrophobicContact CD1-CG2 3.9Å; I542-T620 HydrophobicContact CG1-CG2 3.61Å; I542-A624 HydrophobicContact CB-CB 4.39Å; I542-A624 HydrophobicContact CG1-CB 4.25Å; I542-A624 HydrophobicContact CG2-CB 4.18Å; I542-Y649 HydrophobicContact CG2-CD1 3.84Å; I542-Y649 HydrophobicContact CG2-CD2 3.72Å; I542-Y649 HydrophobicContact CG2-CE1 3.94Å; I542-Y649 HydrophobicContact CG2-CE2 3.83Å; I542-Y649 HydrophobicContact CG2-CG 3.72Å; I542-Y649 WeakPolarHBondContact O-CE2 3.32Å; I542-I677 HydrophobicContact CD1-CB 4.26Å; I542-I677 HydrophobicContact CD1-CG2 3.87Å; I542-I677 HydrophobicContact CG1-CG2 4.36Å; I542-F678 HydrophobicContact CB-CE2 4.28Å; I542-F678 HydrophobicContact CB-CZ 4.11Å; I542-F678 HydrophobicContact CD1-CD1 3.99Å; I542-F678 HydrophobicContact CD1-CD2 3.42Å; I542-F678 VanDerWaalsContact CD1-CD2 3.42Å; I542-F678 HydrophobicContact CD1-CE1 3.9Å; I542-F678 HydrophobicContact CD1-CE2 3.31Å; I542-F678 HydrophobicContact CD1-CG 3.75Å; I542-F678 HydrophobicContact CD1-CZ 3.55Å; I542-F678 HydrophobicContact CG1-CE2 4.37Å; I542-F678 HydrophobicContact CG1-CZ 4.4Å; I542-F678 HydrophobicContact CG2-CE2 3.92Å; I542-F678 HydrophobicContact CG2-CZ 4.12Å
543	F	94.5	Very high	92.8	Very high	55 Å²	55	24.5 Å²	24.5	24%	0.241	13%	0.127	C	C	.	.	H	α-helix	trans	-72.1	-25.4	-173.2	-85	-91.1	0	0	0	114	L539 Q540 N545 L546 V650 M653 F678	L539-F543 HydrophobicContact CD2-CD2 4.01Å; L539-F543 HydrophobicContact CG-CD2 3.89Å; L539-F543 HydrophobicContact CG-CE2 4.13Å; L539-F543 WeakPolarHBondContact O-CD2 3.25Å; L539-F543 PolarHBondContact O-N 3.34Å; Q540-F543 PolarHBondContact O-N 3.37Å; F543-N545 PolarHBondContact O-N 3.43Å; F543-N545 VanDerWaalsContact O-N 3.12Å; F543-L546 HydrophobicContact CD1-CD1 3.87Å; F543-L546 HydrophobicContact CD1-CG 4.48Å; F543-L546 WeakPolarHBondContact O-CB 3.36Å; F543-L546 VanDerWaalsContact O-CG 3.29Å; F543-L546 WeakPolarHBondContact O-CG 3.48Å; F543-L546 PolarHBondContact O-N 3.23Å; F543-V650 HydrophobicContact CZ-CG2 4.23Å; F543-M653 HydrophobicContact CE2-SD 4.19Å; F543-M653 HydrophobicContact CZ-SD 4.49Å; F543-F678 HydrophobicContact CD2-CZ 4.46Å; F543-F678 HydrophobicContact CE2-CZ 4.08Å
544	V	92	Very high	92.3	Very high	22 Å²	22	32.2 Å²	32.2	13%	0.133	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.6	-20.1	171.2	168.4	0	0	0	0	112.5	Y505 Q540 I542 L546 K586	Y505-V544 HydrophobicContact CE2-CB 4.47Å; Y505-V544 HydrophobicContact CE2-CG1 3.89Å; Y505-V544 HydrophobicContact CE2-CG2 4.33Å; Q540-V544 HydrophobicContact CG-CG2 4.43Å; Q540-V544 VanDerWaalsContact NE2-CG2 3.28Å; Q540-V544 VanDerWaalsContact O-CG2 3.25Å; Q540-V544 WeakPolarHBondContact O-CG2 3.35Å; Q540-V544 PolarHBondContact O-N 2.91Å; Q540-V544 VanDerWaalsContact O-N 3.1Å; I542-V544 PolarHBondContact O-N 3.34Å; V544-L546 PolarHBondContact O-N 3.32Å; V544-K586 PolarHBondContact O-NZ 2.82Å
545	N	93.4	Very high	91.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-77.4	-3	175.8	-74.7	-71.8	0	0	0	114.1	V541 I542 F543 A547 T548 T621 A624 A625 A628	V541-N545 PolarHBondContact O-ND2 3.34Å; I542-N545 WeakPolarHBondContact O-CB 3.38Å; I542-N545 PolarHBondContact O-N 3.29Å; I542-N545 VanDerWaalsContact O-N 3.11Å; F543-N545 PolarHBondContact O-N 3.43Å; F543-N545 VanDerWaalsContact O-N 3.12Å; N545-A547 PolarHBondContact O-N 3.34Å; N545-T548 WeakPolarHBondContact O-CB 3.3Å; N545-T548 PolarHBondContact O-N 3.05Å; N545-T548 PolarHBondContact O-OG1 2.81Å; N545-T548 PolarHBondContact OD1-OG1 2.92Å; N545-T621 PolarHBondContact ND2-O 3.22Å; N545-T621 PolarHBondContact ND2-OG1 3.11Å; N545-A624 HydrophobicContact CB-CB 4.1Å; N545-A625 WeakPolarHBondContact OD1-CB 3.45Å; N545-A628 WeakPolarHBondContact O-CB 3.23Å
546	L	91.8	Very high	91.6	Very high	41 Å²	41	35 Å²	35	22%	0.215	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.8	-36.8	168.3	-68.5	178.5	0	0	0	111.4	F543 V544 T548 I549 I645 Y649	F543-L546 HydrophobicContact CD1-CD1 3.87Å; F543-L546 HydrophobicContact CD1-CG 4.48Å; F543-L546 WeakPolarHBondContact O-CB 3.36Å; F543-L546 VanDerWaalsContact O-CG 3.29Å; F543-L546 WeakPolarHBondContact O-CG 3.48Å; F543-L546 PolarHBondContact O-N 3.23Å; V544-L546 PolarHBondContact O-N 3.32Å; L546-T548 PolarHBondContact O-N 3.32Å; L546-T548 VanDerWaalsContact O-N 3.12Å; L546-I549 HydrophobicContact CB-CD1 4.43Å; L546-I549 HydrophobicContact CD2-CD1 4.17Å; L546-I549 WeakPolarHBondContact O-CB 3.41Å; L546-I549 WeakPolarHBondContact O-CD1 3.47Å; L546-I549 WeakPolarHBondContact O-CG1 3.2Å; L546-I549 PolarHBondContact O-N 3.47Å; L546-I549 VanDerWaalsContact O-N 3.16Å; L546-I645 HydrophobicContact CD2-CG1 4.16Å; L546-I645 HydrophobicContact CD2-CG2 3.68Å; L546-Y649 HydrophobicContact CD2-CD2 4.05Å; L546-Y649 HydrophobicContact CD2-CE2 4.03Å; L546-Y649 HydrophobicContact CG-CE2 4.45Å
547	A	88.6	Confident	91.2	Very high	52 Å²	52	35.4 Å²	35.4	43%	0.43	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.7	-19.4	176.1	0	0	0	0	0	113.7	N545 I549	N545-A547 PolarHBondContact O-N 3.34Å; A547-I549 PolarHBondContact O-N 3Å
548	T	90.8	Very high	90.9	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-69.5	-18.7	178.6	-54	0	0	0	0	112.3	N545 L546 E550 L551 I582 K586 A628 L629	N545-T548 WeakPolarHBondContact O-CB 3.3Å; N545-T548 PolarHBondContact O-N 3.05Å; N545-T548 PolarHBondContact O-OG1 2.81Å; N545-T548 PolarHBondContact OD1-OG1 2.92Å; L546-T548 PolarHBondContact O-N 3.32Å; L546-T548 VanDerWaalsContact O-N 3.12Å; T548-E550 VanDerWaalsContact C-N 3.26Å; T548-E550 PolarHBondContact O-N 2.73Å; T548-L551 WeakPolarHBondContact O-CB 3.37Å; T548-L551 PolarHBondContact O-N 3.45Å; T548-I582 HydrophobicContact CG2-CD1 4.43Å; T548-K586 WeakPolarHBondContact OG1-CE 3.44Å; T548-A628 HydrophobicContact CG2-CB 4.27Å; T548-L629 HydrophobicContact CG2-CD2 3.48Å; T548-L629 VanDerWaalsContact CG2-CD2 3.48Å; T548-L629 HydrophobicContact CG2-CG 3.97Å
549	I	90.3	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-35.2	-180	-60.6	158.8	0	0	0	111.8	L546 A547 L551 I553 A628 S632 F638 A641 N642 I645	L546-I549 HydrophobicContact CB-CD1 4.43Å; L546-I549 HydrophobicContact CD2-CD1 4.17Å; L546-I549 WeakPolarHBondContact O-CB 3.41Å; L546-I549 WeakPolarHBondContact O-CD1 3.47Å; L546-I549 WeakPolarHBondContact O-CG1 3.2Å; L546-I549 PolarHBondContact O-N 3.47Å; L546-I549 VanDerWaalsContact O-N 3.16Å; A547-I549 PolarHBondContact O-N 3Å; I549-L551 PolarHBondContact O-N 2.99Å; I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 WeakPolarHBondContact O-CG1 3.45Å; I549-A628 HydrophobicContact CG1-CB 4.42Å; I549-S632 WeakPolarHBondContact O-CB 3.38Å; I549-S632 PolarHBondContact O-OG 3.12Å; I549-F638 HydrophobicContact CB-CE2 4.49Å; I549-F638 HydrophobicContact CG2-CD2 4.14Å; I549-F638 HydrophobicContact CG2-CE2 4.3Å; I549-A641 HydrophobicContact CG2-CB 3.52Å; I549-N642 HydrophobicContact CD1-CB 4.29Å; I549-I645 HydrophobicContact CD1-CB 4.39Å; I549-I645 HydrophobicContact CD1-CG2 3.24Å; I549-I645 HydrophobicContact CG1-CG2 4.04Å
550	E	86.8	Confident	90.3	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	19%	0.189	S	C	.	.	H	α-helix	trans	-70.1	-23	-177.6	-66.4	-173.2	177.8	0	0	112.8	T548 F552 I553 K554 F638	T548-E550 VanDerWaalsContact C-N 3.26Å; T548-E550 PolarHBondContact O-N 2.73Å; E550-F552 PolarHBondContact O-N 3.25Å; E550-I553 PolarHBondContact O-N 3.06Å; E550-K554 VanDerWaalsContact O-CB 3.31Å; E550-K554 WeakPolarHBondContact O-CB 3.27Å; E550-K554 PolarHBondContact O-N 3.43Å; E550-F638 HydrophobicContact CG-CD2 3.66Å; E550-F638 HydrophobicContact CG-CE2 3.33Å; E550-F638 HydrophobicContact CG-CZ 4.17Å; E550-F638 WeakPolarHBondContact OE1-CE2 3.27Å; E550-F638 WeakPolarHBondContact OE1-CZ 3.35Å
551	L	85.5	Confident	90	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.178	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-55.8	-169.2	-173.7	67.3	0	0	0	112.6	T548 I549 E555 K577 D581 L629	T548-L551 WeakPolarHBondContact O-CB 3.37Å; T548-L551 PolarHBondContact O-N 3.45Å; I549-L551 PolarHBondContact O-N 2.99Å; L551-E555 WeakPolarHBondContact O-CB 3.38Å; L551-E555 PolarHBondContact O-N 3.28Å; L551-K577 HydrophobicContact CD2-CD 4.48Å; L551-D581 HydrophobicContact CD1-CB 4.47Å; L551-D581 HydrophobicContact CD2-CB 4.35Å; L551-L629 HydrophobicContact CD2-CD2 3.94Å
552	F	85.4	Confident	89.7	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-80.8	-28.3	178.3	-69.5	-58.8	0	0	0	113.1	E550 R556 Y573 K577 L629 S632 L751	E550-F552 PolarHBondContact O-N 3.25Å; F552-R556 WeakPolarHBondContact O-CA 3.42Å; F552-R556 VanDerWaalsContact O-CB 3.25Å; F552-R556 WeakPolarHBondContact O-CB 3.31Å; F552-R556 PolarHBondContact O-N 3.46Å; F552-Y573 AromaticContact CD1-CE1 3.63Å; F552-Y573 HydrophobicContact CD1-CE1 3.63Å; F552-Y573 AromaticContact CD1-CZ 3.93Å; F552-Y573 WeakPolarHBondContact CD1-OH 3.37Å; F552-Y573 HydrophobicContact CE1-CD1 4.08Å; F552-Y573 AromaticContact CE1-CE1 3.24Å; F552-Y573 HydrophobicContact CE1-CE1 3.24Å; F552-Y573 AromaticContact CE1-CZ 3.75Å; F552-Y573 HydrophobicContact CZ-CE1 4.4Å; F552-K577 HydrophobicContact CE1-CB 4.34Å; F552-K577 HydrophobicContact CE1-CG 3.96Å; F552-K577 HydrophobicContact CZ-CB 4.28Å; F552-K577 HydrophobicContact CZ-CG 4.4Å; F552-L629 HydrophobicContact CD2-CB 4.35Å; F552-L629 HydrophobicContact CD2-CD2 3.69Å; F552-L629 HydrophobicContact CD2-CG 4.46Å; F552-L629 HydrophobicContact CE2-CB 3.95Å; F552-L629 HydrophobicContact CE2-CD1 3.84Å; F552-L629 HydrophobicContact CE2-CD2 3.48Å; F552-L629 VanDerWaalsContact CE2-CD2 3.48Å; F552-L629 HydrophobicContact CE2-CG 3.94Å; F552-L629 HydrophobicContact CZ-CD1 4.38Å; F552-L629 HydrophobicContact CZ-CD2 4.36Å; F552-S632 WeakPolarHBondContact CB-OG 3.34Å; F552-S632 PolarHBondContact N-OG 3.11Å; F552-L751 HydrophobicContact CE1-CD1 4.18Å; F552-L751 HydrophobicContact CE2-CD1 4.36Å; F552-L751 HydrophobicContact CZ-CD1 3.93Å
553	I	88	Confident	89.2	Confident	32 Å²	32	37 Å²	37	16%	0.164	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-49.4	179.7	-66.7	178.2	0	0	0	109.9	I549 E550 F638 A641	I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 WeakPolarHBondContact O-CG1 3.45Å; E550-I553 PolarHBondContact O-N 3.06Å; I553-F638 HydrophobicContact CD1-CB 4.4Å; I553-A641 HydrophobicContact CD1-CB 3.97Å
554	K	85.8	Confident	88.6	Confident	163 Å²	163	35.2 Å²	35.2	71%	0.709	18%	0.184	S	C	*	.	H	α-helix	trans	-66.5	-41.8	179.5	-172.5	177.1	-178.8	178.4	0	112.2	E550	E550-K554 VanDerWaalsContact O-CB 3.31Å; E550-K554 WeakPolarHBondContact O-CB 3.27Å; E550-K554 PolarHBondContact O-N 3.43Å
555	E	88.5	Confident	88.2	Confident	31 Å²	31	34.2 Å²	34.2	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-89.3	-0.4	-176.1	-65.9	-169.4	-159.2	0	0	114.5	L551 V557 L558 F559 Y573 K577	L551-E555 WeakPolarHBondContact O-CB 3.38Å; L551-E555 PolarHBondContact O-N 3.28Å; E555-V557 VanDerWaalsContact C-N 3.25Å; E555-V557 PolarHBondContact O-N 3.26Å; E555-L558 WeakPolarHBondContact O-CB 3.37Å; E555-L558 PolarHBondContact O-N 3.09Å; E555-L558 VanDerWaalsContact O-N 3.14Å; E555-F559 PolarHBondContact O-N 2.91Å; E555-Y573 PolarHBondContact OE2-OH 3.47Å; E555-K577 IonicContact OE1-NZ 2.76Å; E555-K577 PolarHBondContact OE1-NZ 3.44Å; E555-K577 WeakPolarHBondContact OE2-CE 3.21Å; E555-K577 IonicContact OE2-NZ 3.16Å; E555-K577 PolarHBondContact OE2-NZ 2.95Å
556	R	89.2	Confident	87.8	Confident	40 Å²	40	34.6 Å²	34.6	15%	0.151	18%	0.182	C	C	.	.	H	α-helix	trans	-54	-44.4	-177.1	173.9	176.9	-111.4	139.2	-2.7	111.8	F552 F559 I560 A633 V635 T636	F552-R556 WeakPolarHBondContact O-CA 3.42Å; F552-R556 VanDerWaalsContact O-CB 3.25Å; F552-R556 WeakPolarHBondContact O-CB 3.31Å; F552-R556 PolarHBondContact O-N 3.46Å; R556-F559 PolarHBondContact O-N 2.85Å; R556-I560 HydrophobicContact CG-CD1 3.6Å; R556-I560 HydrophobicContact CG-CG1 4.25Å; R556-I560 VanDerWaalsContact O-CG1 3.3Å; R556-I560 WeakPolarHBondContact O-CG1 3.47Å; R556-I560 PolarHBondContact O-N 3.45Å; R556-A633 PolarHBondContact NH2-O 2.95Å; R556-A633 VanDerWaalsContact NH2-O 3.08Å; R556-V635 PolarHBondContact NH1-O 3.47Å; R556-T636 VanDerWaalsContact NH1-CA 3.33Å
557	V	87.9	Confident	87.7	Confident	86 Å²	86	32.7 Å²	32.7	52%	0.521	17%	0.172	S	C	.	.	H	α-helix	trans	-63.1	-46.1	-177.9	176.4	0	0	0	0	110.5	I226 E555 H561	I226-V557 HydrophobicContact CD1-CG1 3.45Å; I226-V557 VanDerWaalsContact CD1-CG1 3.45Å; I226-V557 HydrophobicContact CG1-CG1 3.84Å; E555-V557 VanDerWaalsContact C-N 3.25Å; E555-V557 PolarHBondContact O-N 3.26Å; V557-H561 WeakPolarHBondContact O-CB 3.44Å; V557-H561 PolarHBondContact O-N 3.05Å
558	L	90.5	Very high	87.8	Confident	25 Å²	25	30.2 Å²	30.2	13%	0.131	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-48	174.2	-178.2	65.2	0	0	0	111.7	I226 E555 H561 E562	I226-L558 HydrophobicContact CG2-CB 4.1Å; I226-L558 HydrophobicContact CG2-CD1 3.52Å; I226-L558 HydrophobicContact CG2-CG 4.43Å; E555-L558 WeakPolarHBondContact O-CB 3.37Å; E555-L558 PolarHBondContact O-N 3.09Å; E555-L558 VanDerWaalsContact O-N 3.14Å; L558-H561 PolarHBondContact O-N 3.36Å; L558-E562 HydrophobicContact CD1-CG 4.05Å; L558-E562 WeakPolarHBondContact CD1-OE1 3.38Å; L558-E562 HydrophobicContact CG-CG 4.5Å; L558-E562 WeakPolarHBondContact O-CB 3.3Å; L558-E562 WeakPolarHBondContact O-CG 3.49Å; L558-E562 PolarHBondContact O-N 2.86Å
559	F	91.6	Very high	87.8	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-46.2	-179.8	167.3	-108.2	0	0	0	113	E555 R556 H561 S563 Y568 V570 Y573 L751 L754	E555-F559 PolarHBondContact O-N 2.91Å; R556-F559 PolarHBondContact O-N 2.85Å; F559-H561 VanDerWaalsContact C-N 3.33Å; F559-S563 WeakPolarHBondContact O-CB 3.33Å; F559-S563 PolarHBondContact O-N 2.94Å; F559-Y568 HydrophobicContact CD2-CE2 4.24Å; F559-Y568 HydrophobicContact CE2-CE2 4.45Å; F559-V570 HydrophobicContact CE2-CG1 4.46Å; F559-V570 HydrophobicContact CZ-CB 4.47Å; F559-V570 HydrophobicContact CZ-CG1 4Å; F559-V570 HydrophobicContact CZ-CG2 4.08Å; F559-Y573 HydrophobicContact CB-CE1 3.99Å; F559-Y573 HydrophobicContact CB-CE2 4.3Å; F559-Y573 HydrophobicContact CD1-CE1 4.43Å; F559-Y573 AromaticContact CD2-CD1 3.21Å; F559-Y573 HydrophobicContact CD2-CD1 3.21Å; F559-Y573 AromaticContact CD2-CD2 3.95Å; F559-Y573 HydrophobicContact CD2-CD2 3.95Å; F559-Y573 AromaticContact CD2-CE1 3.41Å; F559-Y573 HydrophobicContact CD2-CE1 3.41Å; F559-Y573 VanDerWaalsContact CD2-CE1 3.41Å; F559-Y573 HydrophobicContact CD2-CE2 4.17Å; F559-Y573 AromaticContact CD2-CG 3.48Å; F559-Y573 HydrophobicContact CD2-CG 3.48Å; F559-Y573 VanDerWaalsContact CD2-CG 3.48Å; F559-Y573 AromaticContact CD2-CZ 3.94Å; F559-Y573 AromaticContact CE2-CD1 3.39Å; F559-Y573 HydrophobicContact CE2-CD1 3.39Å; F559-Y573 AromaticContact CE2-CE1 3.98Å; F559-Y573 HydrophobicContact CE2-CE1 3.98Å; F559-Y573 AromaticContact CE2-CG 3.77Å; F559-Y573 HydrophobicContact CE2-CG 3.77Å; F559-Y573 AromaticContact CG-CD1 3.97Å; F559-Y573 HydrophobicContact CG-CD1 3.97Å; F559-Y573 AromaticContact CG-CE1 3.68Å; F559-Y573 HydrophobicContact CG-CE1 3.68Å; F559-Y573 HydrophobicContact CG-CG 4.5Å; F559-Y573 HydrophobicContact CZ-CD1 4.27Å; F559-L751 HydrophobicContact CE1-CD2 4.21Å; F559-L754 HydrophobicContact CD1-CD2 4.32Å; F559-L754 HydrophobicContact CE1-CD2 4.07Å
560	I	89.2	Confident	87.9	Confident	48 Å²	48	33.9 Å²	33.9	25%	0.246	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-43.7	178.7	-68.3	169.6	0	0	0	109.8	R556 S564 L754	R556-I560 HydrophobicContact CG-CD1 3.6Å; R556-I560 HydrophobicContact CG-CG1 4.25Å; R556-I560 VanDerWaalsContact O-CG1 3.3Å; R556-I560 WeakPolarHBondContact O-CG1 3.47Å; R556-I560 PolarHBondContact O-N 3.45Å; I560-S564 WeakPolarHBondContact O-CB 3.42Å; I560-S564 PolarHBondContact O-N 3.4Å; I560-S564 PolarHBondContact O-OG 3.38Å; I560-L754 HydrophobicContact CD1-CD2 3.94Å; I560-L754 HydrophobicContact CG1-CD2 3.78Å
561	H	88.7	Confident	88.2	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-55.5	178.1	-179.9	77	0	0	0	111.7	I226 V557 L558 F559 S563 S564 S565	I226-H561 HydrophobicContact CD1-CB 3.6Å; I226-H561 HydrophobicContact CG2-CB 4.07Å; V557-H561 WeakPolarHBondContact O-CB 3.44Å; V557-H561 PolarHBondContact O-N 3.05Å; L558-H561 PolarHBondContact O-N 3.36Å; F559-H561 VanDerWaalsContact C-N 3.33Å; H561-S563 PolarHBondContact O-N 3.11Å; H561-S564 PolarHBondContact O-N 3.49Å; H561-S564 PolarHBondContact O-OG 2.9Å; H561-S565 WeakPolarHBondContact O-CB 3.27Å; H561-S565 PolarHBondContact O-N 3.02Å; H561-S565 PolarHBondContact O-OG 2.73Å
562	E	89.9	Confident	88.7	Confident	8 Å²	8	28 Å²	28	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-37.5	-176.8	-69.3	-175.2	158	0	0	112.3	R486 L558 G566 Y567 Y568	R486-E562 IonicContact CZ-OE1 3.63Å; R486-E562 IonicContact CZ-OE2 3.7Å; R486-E562 IonicContact NH1-OE1 3.53Å; R486-E562 PolarHBondContact NH1-OE1 3.24Å; R486-E562 IonicContact NH1-OE2 3.34Å; R486-E562 PolarHBondContact NH1-OE2 3.4Å; R486-E562 IonicContact NH2-OE1 2.69Å; R486-E562 IonicContact NH2-OE2 3.8Å; R486-E562 PolarHBondContact NH2-OE2 2.98Å; L558-E562 HydrophobicContact CD1-CG 4.05Å; L558-E562 WeakPolarHBondContact CD1-OE1 3.38Å; L558-E562 HydrophobicContact CG-CG 4.5Å; L558-E562 WeakPolarHBondContact O-CB 3.3Å; L558-E562 WeakPolarHBondContact O-CG 3.49Å; L558-E562 PolarHBondContact O-N 2.86Å; E562-G566 PolarHBondContact O-N 3.21Å; E562-G566 VanDerWaalsContact O-N 3.16Å; E562-Y567 HydrophobicContact CB-CD2 4.09Å; E562-Y567 HydrophobicContact CB-CG 4.12Å; E562-Y567 HydrophobicContact CG-CD2 4.33Å; E562-Y567 HydrophobicContact CG-CG 4.36Å; E562-Y567 WeakPolarHBondContact O-CB 3.29Å; E562-Y567 WeakPolarHBondContact O-CD2 3.48Å; E562-Y567 PolarHBondContact O-N 3.23Å; E562-Y568 HydrophobicContact CB-CE1 4.06Å; E562-Y568 WeakPolarHBondContact OE2-CE1 3.38Å; E562-Y568 PolarHBondContact OE2-OH 3.34Å
563	S	85.7	Confident	89.1	Confident	11 Å²	11	27.8 Å²	27.8	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-71.7	-35.9	177.7	-166.9	0	0	0	0	112.5	F559 H561 G566 K756	F559-S563 WeakPolarHBondContact O-CB 3.33Å; F559-S563 PolarHBondContact O-N 2.94Å; H561-S563 PolarHBondContact O-N 3.11Å; S563-G566 PolarHBondContact O-N 3.42Å; S563-K756 PolarHBondContact OG-NZ 2.87Å
564	S	81.5	Confident	89.4	Confident	17 Å²	17	26.8 Å²	26.8	12%	0.119	14%	0.136	C	C	.	.	H	α-helix	trans	-73.1	-32.5	175.7	64.2	0	0	0	0	112.9	I560 H561 G566	I560-S564 WeakPolarHBondContact O-CB 3.42Å; I560-S564 PolarHBondContact O-N 3.4Å; I560-S564 PolarHBondContact O-OG 3.38Å; H561-S564 PolarHBondContact O-N 3.49Å; H561-S564 PolarHBondContact O-OG 2.9Å; S564-G566 VanDerWaalsContact C-N 3.26Å; S564-G566 PolarHBondContact O-N 3.29Å
565	S	84	Confident	89.9	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.5	173.8	-61.9	0	0	0	0	113.6	R193 H561	R193-S565 PolarHBondContact NH2-OG 3.02Å; H561-S565 WeakPolarHBondContact O-CB 3.27Å; H561-S565 PolarHBondContact O-N 3.02Å; H561-S565 PolarHBondContact O-OG 2.73Å
566	G	83.5	Confident	90.1	Very high	8 Å²	8	21.8 Å²	21.8	8%	0.082	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	27.4	172	0	0	0	0	0	115.8	E562 S563 S564	E562-G566 PolarHBondContact O-N 3.21Å; E562-G566 VanDerWaalsContact O-N 3.16Å; S563-G566 PolarHBondContact O-N 3.42Å; S564-G566 VanDerWaalsContact C-N 3.26Å; S564-G566 PolarHBondContact O-N 3.29Å
567	Y	89.8	Confident	90.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	11%	0.107	C	C	.	.	S	Bend	trans	-66.5	-47	176.7	-77.9	-112.1	0	0	0	111.9	F239 S240 L243 R244 E562	F239-Y567 HydrophobicContact CD1-CD1 4.18Å; F239-Y567 HydrophobicContact CD1-CE1 4.25Å; F239-Y567 AromaticContact CE1-CD1 3.84Å; F239-Y567 HydrophobicContact CE1-CD1 3.84Å; F239-Y567 HydrophobicContact CE1-CE1 4.3Å; S240-Y567 PolarHBondContact OG-OH 3.41Å; L243-Y567 HydrophobicContact CB-CD1 4.42Å; L243-Y567 WeakPolarHBondContact CB-O 3.37Å; L243-Y567 HydrophobicContact CD1-CD1 4.2Å; R244-Y567 HydrophobicContact CG-CD1 4.29Å; R244-Y567 HydrophobicContact CG-CD2 4.36Å; R244-Y567 HydrophobicContact CG-CE1 4.46Å; R244-Y567 HydrophobicContact CG-CG 4.24Å; R244-Y567 PolarHBondContact NH1-OH 3.19Å; R244-Y567 VanDerWaalsContact NH1-OH 3.1Å; E562-Y567 HydrophobicContact CB-CD2 4.09Å; E562-Y567 HydrophobicContact CB-CG 4.12Å; E562-Y567 HydrophobicContact CG-CD2 4.33Å; E562-Y567 HydrophobicContact CG-CG 4.36Å; E562-Y567 WeakPolarHBondContact O-CB 3.29Å; E562-Y567 WeakPolarHBondContact O-CD2 3.48Å; E562-Y567 PolarHBondContact O-N 3.23Å
568	Y	91.4	Very high	90.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-156.5	164.7	-175.5	50.6	-112.4	0	0	0	112.8	F239 L243 F472 V483 F559 E562 Y573	F239-Y568 HydrophobicContact CZ-CD1 4.38Å; F239-Y568 HydrophobicContact CZ-CE1 4.19Å; L243-Y568 HydrophobicContact CD1-CD1 3.87Å; F472-Y568 VanDerWaalsContact CE1-O 3.31Å; F472-Y568 WeakPolarHBondContact CE1-O 3.25Å; V483-Y568 HydrophobicContact CG2-CD1 3.51Å; V483-Y568 HydrophobicContact CG2-CE1 3.93Å; V483-Y568 HydrophobicContact CG2-CG 4.1Å; F559-Y568 HydrophobicContact CD2-CE2 4.24Å; F559-Y568 HydrophobicContact CE2-CE2 4.45Å; E562-Y568 HydrophobicContact CB-CE1 4.06Å; E562-Y568 WeakPolarHBondContact OE2-CE1 3.38Å; E562-Y568 PolarHBondContact OE2-OH 3.34Å; Y568-Y573 HydrophobicContact CE2-CD2 4.09Å; Y568-Y573 HydrophobicContact CE2-CG 4.11Å; Y568-Y573 WeakPolarHBondContact OH-CD2 3.43Å
569	Q	90.4	Very high	90.6	Very high	68 Å²	68	19.6 Å²	19.6	32%	0.318	10%	0.102	S	C	.	.			trans	-72.4	154.1	172.9	-66.4	-180	20.3	0	0	112.5	F472 S571 V572 Y573	F472-Q569 HydrophobicContact CD2-CG 3.62Å; F472-Q569 HydrophobicContact CE1-CG 4.28Å; F472-Q569 HydrophobicContact CE2-CB 4.47Å; F472-Q569 HydrophobicContact CE2-CG 3.3Å; F472-Q569 HydrophobicContact CG-CG 4.25Å; F472-Q569 HydrophobicContact CZ-CB 4.42Å; F472-Q569 HydrophobicContact CZ-CG 3.66Å; Q569-S571 VanDerWaalsContact C-N 3.26Å; Q569-S571 PolarHBondContact O-N 3.4Å; Q569-S571 PolarHBondContact OE1-OG 3.18Å; Q569-V572 HydrophobicContact CB-CG2 4.25Å; Q569-V572 WeakPolarHBondContact O-CB 3.45Å; Q569-V572 PolarHBondContact O-N 3.35Å; Q569-Y573 PolarHBondContact O-N 3.01Å
570	V	92.4	Very high	90.7	Very high	15 Å²	15	19.7 Å²	19.7	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-37.4	177.2	179.6	0	0	0	0	111.9	F559 Y573 F574 Y748 L751	F559-V570 HydrophobicContact CE2-CG1 4.46Å; F559-V570 HydrophobicContact CZ-CB 4.47Å; F559-V570 HydrophobicContact CZ-CG1 4Å; F559-V570 HydrophobicContact CZ-CG2 4.08Å; V570-Y573 PolarHBondContact O-N 3.43Å; V570-F574 WeakPolarHBondContact O-CB 3.28Å; V570-F574 PolarHBondContact O-N 3.21Å; V570-Y748 HydrophobicContact CG1-CE2 4.26Å; V570-L751 HydrophobicContact CG1-CB 3.81Å
571	S	94	Very high	90.7	Very high	13 Å²	13	17.9 Å²	17.9	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.6	39.3	0	0	0	0	112	Q569 Y573 F574 F575	Q569-S571 VanDerWaalsContact C-N 3.26Å; Q569-S571 PolarHBondContact O-N 3.4Å; Q569-S571 PolarHBondContact OE1-OG 3.18Å; S571-Y573 VanDerWaalsContact C-N 3.34Å; S571-Y573 PolarHBondContact O-N 2.99Å; S571-F574 PolarHBondContact O-N 3.02Å; S571-F575 WeakPolarHBondContact O-CD2 3.22Å; S571-F575 PolarHBondContact O-N 3.38Å
572	V	94.9	Very high	90.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-48	177.2	168.8	0	0	0	0	111.1	Y476 Q479 L480 V483 Q569 S576	Y476-V572 HydrophobicContact CD2-CG2 3.63Å; Y476-V572 HydrophobicContact CE2-CG2 3.38Å; Y476-V572 HydrophobicContact CG-CG2 4.38Å; Q479-V572 HydrophobicContact CB-CB 4.42Å; Q479-V572 HydrophobicContact CB-CG1 3.95Å; Q479-V572 HydrophobicContact CB-CG2 3.85Å; L480-V572 HydrophobicContact CB-CG1 4.37Å; L480-V572 HydrophobicContact CD1-CG1 4.34Å; V483-V572 HydrophobicContact CB-CG1 4.07Å; V483-V572 HydrophobicContact CG2-CG1 3.84Å; Q569-V572 HydrophobicContact CB-CG2 4.25Å; Q569-V572 WeakPolarHBondContact O-CB 3.45Å; Q569-V572 PolarHBondContact O-N 3.35Å; V572-S576 VanDerWaalsContact O-CB 3.24Å; V572-S576 WeakPolarHBondContact O-CB 3.27Å; V572-S576 PolarHBondContact O-N 2.93Å
573	Y	94.3	Very high	91	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-49.4	177.6	177.6	-108.9	0	0	0	111.7	F552 E555 F559 Y568 Q569 V570 S571 F575 S576 K577	F552-Y573 AromaticContact CD1-CE1 3.63Å; F552-Y573 HydrophobicContact CD1-CE1 3.63Å; F552-Y573 AromaticContact CD1-CZ 3.93Å; F552-Y573 WeakPolarHBondContact CD1-OH 3.37Å; F552-Y573 HydrophobicContact CE1-CD1 4.08Å; F552-Y573 AromaticContact CE1-CE1 3.24Å; F552-Y573 HydrophobicContact CE1-CE1 3.24Å; F552-Y573 AromaticContact CE1-CZ 3.75Å; F552-Y573 HydrophobicContact CZ-CE1 4.4Å; E555-Y573 PolarHBondContact OE2-OH 3.47Å; F559-Y573 HydrophobicContact CB-CE1 3.99Å; F559-Y573 HydrophobicContact CB-CE2 4.3Å; F559-Y573 HydrophobicContact CD1-CE1 4.43Å; F559-Y573 AromaticContact CD2-CD1 3.21Å; F559-Y573 HydrophobicContact CD2-CD1 3.21Å; F559-Y573 AromaticContact CD2-CD2 3.95Å; F559-Y573 HydrophobicContact CD2-CD2 3.95Å; F559-Y573 AromaticContact CD2-CE1 3.41Å; F559-Y573 HydrophobicContact CD2-CE1 3.41Å; F559-Y573 VanDerWaalsContact CD2-CE1 3.41Å; F559-Y573 HydrophobicContact CD2-CE2 4.17Å; F559-Y573 AromaticContact CD2-CG 3.48Å; F559-Y573 HydrophobicContact CD2-CG 3.48Å; F559-Y573 VanDerWaalsContact CD2-CG 3.48Å; F559-Y573 AromaticContact CD2-CZ 3.94Å; F559-Y573 AromaticContact CE2-CD1 3.39Å; F559-Y573 HydrophobicContact CE2-CD1 3.39Å; F559-Y573 AromaticContact CE2-CE1 3.98Å; F559-Y573 HydrophobicContact CE2-CE1 3.98Å; F559-Y573 AromaticContact CE2-CG 3.77Å; F559-Y573 HydrophobicContact CE2-CG 3.77Å; F559-Y573 AromaticContact CG-CD1 3.97Å; F559-Y573 HydrophobicContact CG-CD1 3.97Å; F559-Y573 AromaticContact CG-CE1 3.68Å; F559-Y573 HydrophobicContact CG-CE1 3.68Å; F559-Y573 HydrophobicContact CG-CG 4.5Å; F559-Y573 HydrophobicContact CZ-CD1 4.27Å; Y568-Y573 HydrophobicContact CE2-CD2 4.09Å; Y568-Y573 HydrophobicContact CE2-CG 4.11Å; Y568-Y573 WeakPolarHBondContact OH-CD2 3.43Å; Q569-Y573 PolarHBondContact O-N 3.01Å; V570-Y573 PolarHBondContact O-N 3.43Å; S571-Y573 VanDerWaalsContact C-N 3.34Å; S571-Y573 PolarHBondContact O-N 2.99Å; Y573-F575 PolarHBondContact O-N 2.93Å; Y573-S576 PolarHBondContact O-N 3.35Å; Y573-K577 HydrophobicContact CD2-CG 4.37Å; Y573-K577 HydrophobicContact CE1-CG 4.34Å; Y573-K577 HydrophobicContact CE2-CD 4.34Å; Y573-K577 HydrophobicContact CE2-CG 3.99Å; Y573-K577 WeakPolarHBondContact O-CG 3.33Å; Y573-K577 PolarHBondContact O-N 2.9Å
574	F	94.8	Very high	91.2	Very high	10 Å²	10	22 Å²	22	4%	0.044	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-53.3	179.5	175.5	-99.9	0	0	0	112.2	V570 S571 S576 K577 V578 Y744 C747 Y748 L751	V570-F574 WeakPolarHBondContact O-CB 3.28Å; V570-F574 PolarHBondContact O-N 3.21Å; S571-F574 PolarHBondContact O-N 3.02Å; F574-S576 VanDerWaalsContact C-N 3.33Å; F574-S576 PolarHBondContact O-N 3.14Å; F574-K577 PolarHBondContact O-N 3.3Å; F574-V578 HydrophobicContact CE1-CG2 4.15Å; F574-V578 HydrophobicContact CE2-CG2 4.12Å; F574-V578 HydrophobicContact CZ-CG2 3.88Å; F574-V578 WeakPolarHBondContact O-CG2 3.49Å; F574-V578 PolarHBondContact O-N 3.33Å; F574-Y744 HydrophobicContact CE2-CD1 4.2Å; F574-Y744 AromaticContact CZ-CD1 3.74Å; F574-Y744 HydrophobicContact CZ-CD1 3.74Å; F574-Y744 AromaticContact CZ-CG 3.95Å; F574-Y744 HydrophobicContact CZ-CG 3.95Å; F574-C747 HydrophobicContact CE2-CB 4.14Å; F574-Y748 HydrophobicContact CB-CD2 4.27Å; F574-Y748 HydrophobicContact CD1-CD2 4.42Å; F574-Y748 HydrophobicContact CG-CD2 4.28Å; F574-L751 HydrophobicContact CB-CD1 4.48Å; F574-L751 HydrophobicContact CD2-CD1 3.98Å
575	F	94.8	Very high	91.6	Very high	89 Å²	89	22 Å²	22	39%	0.39	12%	0.116	S	C	.	.	H	α-helix	trans	-65.8	-36.3	-179.9	-71.6	-60.7	0	0	0	112.4	Y476 L480 S571 Y573 K577 V578 I579	Y476-F575 WeakPolarHBondContact OH-CD2 3.39Å; L480-F575 HydrophobicContact CD1-CB 4.11Å; S571-F575 WeakPolarHBondContact O-CD2 3.22Å; S571-F575 PolarHBondContact O-N 3.38Å; Y573-F575 PolarHBondContact O-N 2.93Å; F575-K577 VanDerWaalsContact C-N 3.33Å; F575-K577 PolarHBondContact O-N 3.37Å; F575-V578 PolarHBondContact O-N 3.45Å; F575-I579 HydrophobicContact CB-CD1 4.38Å; F575-I579 WeakPolarHBondContact O-CB 3.5Å; F575-I579 VanDerWaalsContact O-CG1 3.26Å; F575-I579 WeakPolarHBondContact O-CG1 3.3Å; F575-I579 PolarHBondContact O-N 3.38Å
576	S	94.5	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-44.4	174.1	-175.2	0	0	0	0	111.7	V483 C484 S487 V572 Y573 F574 C580	V483-S576 VanDerWaalsContact C-OG 3.28Å; V483-S576 WeakPolarHBondContact CG1-OG 3.38Å; V483-S576 PolarHBondContact O-OG 2.91Å; C484-S576 VanDerWaalsContact CA-OG 3.26Å; C484-S576 WeakPolarHBondContact CA-OG 3.4Å; C484-S576 PolarHBondContact N-OG 3.26Å; S487-S576 PolarHBondContact OG-OG 2.87Å; V572-S576 VanDerWaalsContact O-CB 3.24Å; V572-S576 WeakPolarHBondContact O-CB 3.27Å; V572-S576 PolarHBondContact O-N 2.93Å; Y573-S576 PolarHBondContact O-N 3.35Å; F574-S576 VanDerWaalsContact C-N 3.33Å; F574-S576 PolarHBondContact O-N 3.14Å; S576-C580 WeakPolarHBondContact O-CA 3.49Å; S576-C580 WeakPolarHBondContact O-CB 3.32Å; S576-C580 PolarHBondContact O-N 2.87Å
577	K	92.1	Very high	92.5	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.022	12%	0.118	C	C	.	.	I	π-helix	trans	-65.3	-42.9	178.2	-69.1	-55.5	-172.3	170.1	0	112.7	L551 F552 E555 Y573 F574 F575 D581 I582	L551-K577 HydrophobicContact CD2-CD 4.48Å; F552-K577 HydrophobicContact CE1-CB 4.34Å; F552-K577 HydrophobicContact CE1-CG 3.96Å; F552-K577 HydrophobicContact CZ-CB 4.28Å; F552-K577 HydrophobicContact CZ-CG 4.4Å; E555-K577 IonicContact OE1-NZ 2.76Å; E555-K577 PolarHBondContact OE1-NZ 3.44Å; E555-K577 WeakPolarHBondContact OE2-CE 3.21Å; E555-K577 IonicContact OE2-NZ 3.16Å; E555-K577 PolarHBondContact OE2-NZ 2.95Å; Y573-K577 HydrophobicContact CD2-CG 4.37Å; Y573-K577 HydrophobicContact CE1-CG 4.34Å; Y573-K577 HydrophobicContact CE2-CD 4.34Å; Y573-K577 HydrophobicContact CE2-CG 3.99Å; Y573-K577 WeakPolarHBondContact O-CG 3.33Å; Y573-K577 PolarHBondContact O-N 2.9Å; F574-K577 PolarHBondContact O-N 3.3Å; F575-K577 VanDerWaalsContact C-N 3.33Å; F575-K577 PolarHBondContact O-N 3.37Å; K577-D581 WeakPolarHBondContact CD-OD2 3.38Å; K577-D581 WeakPolarHBondContact CE-OD2 3.34Å; K577-D581 IonicContact NZ-OD2 2.82Å; K577-D581 PolarHBondContact NZ-OD2 3.39Å; K577-D581 WeakPolarHBondContact O-CB 3.39Å; K577-D581 PolarHBondContact O-N 3.5Å; K577-D581 VanDerWaalsContact O-N 3.11Å; K577-I582 PolarHBondContact O-N 3.44Å
578	V	92.5	Very high	92.6	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.103	14%	0.14	C	C	.	.	I	π-helix	trans	-64.3	-48.3	176.8	176.2	0	0	0	0	111.1	F574 F575 I582 I583 L629 Y744	F574-V578 HydrophobicContact CE1-CG2 4.15Å; F574-V578 HydrophobicContact CE2-CG2 4.12Å; F574-V578 HydrophobicContact CZ-CG2 3.88Å; F574-V578 WeakPolarHBondContact O-CG2 3.49Å; F574-V578 PolarHBondContact O-N 3.33Å; F575-V578 PolarHBondContact O-N 3.45Å; V578-I582 HydrophobicContact CG2-CD1 4.49Å; V578-I582 WeakPolarHBondContact O-CB 3.31Å; V578-I583 WeakPolarHBondContact O-CG1 3.27Å; V578-I583 PolarHBondContact O-N 3.47Å; V578-L629 HydrophobicContact CG2-CD1 4.31Å; V578-Y744 HydrophobicContact CG1-CE2 4.33Å; V578-Y744 HydrophobicContact CG2-CD1 4.33Å; V578-Y744 HydrophobicContact CG2-CE1 3.95Å
579	I	92.9	Very high	92.7	Very high	83 Å²	83	27 Å²	27	43%	0.426	14%	0.141	S	C	.	.	I	π-helix	trans	-77.1	-40.7	-172.8	-63.8	168.5	0	0	0	112.4	F575 P584	F575-I579 HydrophobicContact CB-CD1 4.38Å; F575-I579 WeakPolarHBondContact O-CB 3.5Å; F575-I579 VanDerWaalsContact O-CG1 3.26Å; F575-I579 WeakPolarHBondContact O-CG1 3.3Å; F575-I579 PolarHBondContact O-N 3.38Å; I579-P584 WeakPolarHBondContact O-CD 3.48Å
580	C	92.6	Very high	92.9	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.041	13%	0.126	C	C	.	.	I	π-helix	trans	-103.2	-20.4	-169.1	-63.8	0	0	0	0	114.5	C484 I488 S576 P584	C484-C580 WeakPolarHBondContact CB-SG 3.25Å; I488-C580 HydrophobicContact CD1-CB 4.48Å; I488-C580 HydrophobicContact CG1-CB 3.84Å; S576-C580 WeakPolarHBondContact O-CA 3.49Å; S576-C580 WeakPolarHBondContact O-CB 3.32Å; S576-C580 PolarHBondContact O-N 2.87Å; C580-P584 WeakPolarHBondContact O-CG 3.28Å
581	D	89.8	Confident	93.1	Very high	11 Å²	11	27 Å²	27	6%	0.059	14%	0.143	C	C	.	.	I	π-helix	trans	-104.7	-53	175.1	-66	-38.5	0	0	0	110.5	L551 K577 T585	L551-D581 HydrophobicContact CD1-CB 4.47Å; L551-D581 HydrophobicContact CD2-CB 4.35Å; K577-D581 WeakPolarHBondContact CD-OD2 3.38Å; K577-D581 WeakPolarHBondContact CE-OD2 3.34Å; K577-D581 IonicContact NZ-OD2 2.82Å; K577-D581 PolarHBondContact NZ-OD2 3.39Å; K577-D581 WeakPolarHBondContact O-CB 3.39Å; K577-D581 PolarHBondContact O-N 3.5Å; K577-D581 VanDerWaalsContact O-N 3.11Å; D581-T585 WeakPolarHBondContact O-CB 3.39Å; D581-T585 VanDerWaalsContact O-CG2 3.26Å; D581-T585 WeakPolarHBondContact O-CG2 3.33Å; D581-T585 PolarHBondContact O-N 3.32Å; D581-T585 PolarHBondContact O-OG1 3.09Å
582	I	91.9	Very high	93.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.163	C	C	.	.	I	π-helix	trans	-71	-51.5	-173.6	-62.2	179	0	0	0	112.5	T548 K577 V578 T585 K586 L622 A625 L629	T548-I582 HydrophobicContact CG2-CD1 4.43Å; K577-I582 PolarHBondContact O-N 3.44Å; V578-I582 HydrophobicContact CG2-CD1 4.49Å; V578-I582 WeakPolarHBondContact O-CB 3.31Å; I582-T585 PolarHBondContact O-N 3Å; I582-K586 HydrophobicContact CG2-CB 4.3Å; I582-K586 HydrophobicContact CG2-CG 4.01Å; I582-K586 VanDerWaalsContact O-CB 3.22Å; I582-K586 WeakPolarHBondContact O-CB 3.47Å; I582-K586 WeakPolarHBondContact O-CG 3.48Å; I582-K586 PolarHBondContact O-N 2.85Å; I582-L622 HydrophobicContact CG2-CD2 4Å; I582-A625 HydrophobicContact CD1-CB 4.4Å; I582-A625 HydrophobicContact CG2-CB 3.82Å; I582-L629 HydrophobicContact CD1-CD1 3.2Å; I582-L629 HydrophobicContact CD1-CD2 3.99Å; I582-L629 HydrophobicContact CD1-CG 3.69Å
583	I	92.3	Very high	93.1	Very high	71 Å²	71	32.8 Å²	32.8	36%	0.364	17%	0.17	S	C	.	.	I	π-helix	trans	-59.1	-50.4	-176.8	-65.3	174.2	0	0	0	111.1	V578 T585 V587 L588 L622	V578-I583 WeakPolarHBondContact O-CG1 3.27Å; V578-I583 PolarHBondContact O-N 3.47Å; I583-T585 PolarHBondContact O-N 3.3Å; I583-V587 HydrophobicContact CG2-CB 4.21Å; I583-V587 HydrophobicContact CG2-CG2 4.39Å; I583-V587 WeakPolarHBondContact O-CA 3.37Å; I583-V587 VanDerWaalsContact O-CB 3.28Å; I583-V587 WeakPolarHBondContact O-CB 3.24Å; I583-V587 PolarHBondContact O-N 2.86Å; I583-L588 PolarHBondContact O-N 2.9Å; I583-L622 HydrophobicContact CG1-CD2 4.38Å
584	P	91	Very high	93.2	Very high	41 Å²	41	32.7 Å²	32.7	27%	0.266	17%	0.17	S	C	.	.	I	π-helix	trans	-66.1	-36	179.9	-25	38	0	0	0	113.7	L491 I579 C580 L588	L491-P584 HydrophobicContact CD2-CB 3.92Å; I579-P584 WeakPolarHBondContact O-CD 3.48Å; C580-P584 WeakPolarHBondContact O-CG 3.28Å; P584-L588 WeakPolarHBondContact O-CB 3.35Å
585	T	89.6	Confident	93.3	Very high	18 Å²	18	33.3 Å²	33.3	11%	0.11	18%	0.175	C	C	.	.	I	π-helix	trans	-84.1	-25.8	-177.2	60.5	0	0	0	0	113.8	L491 Q501 D581 I582 I583 P589	L491-T585 HydrophobicContact CD1-CG2 3.56Å; L491-T585 HydrophobicContact CD2-CG2 3.93Å; L491-T585 HydrophobicContact CG-CG2 4.41Å; Q501-T585 PolarHBondContact OE1-O 3.41Å; D581-T585 WeakPolarHBondContact O-CB 3.39Å; D581-T585 VanDerWaalsContact O-CG2 3.26Å; D581-T585 WeakPolarHBondContact O-CG2 3.33Å; D581-T585 PolarHBondContact O-N 3.32Å; D581-T585 PolarHBondContact O-OG1 3.09Å; I582-T585 PolarHBondContact O-N 3Å; I583-T585 PolarHBondContact O-N 3.3Å; T585-P589 WeakPolarHBondContact O-CG 3.45Å
586	K	91.8	Very high	93.4	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.017	17%	0.17	C	C	.	.	I	π-helix	trans	-111.6	-37.9	-172.4	-52.9	-56.6	177.5	177.9	0	114.1	Q501 V544 T548 I582 I590 T621	Q501-K586 VanDerWaalsContact CD-NZ 3.28Å; V544-K586 PolarHBondContact O-NZ 2.82Å; T548-K586 WeakPolarHBondContact OG1-CE 3.44Å; I582-K586 HydrophobicContact CG2-CB 4.3Å; I582-K586 HydrophobicContact CG2-CG 4.01Å; I582-K586 VanDerWaalsContact O-CB 3.22Å; I582-K586 WeakPolarHBondContact O-CB 3.47Å; I582-K586 WeakPolarHBondContact O-CG 3.48Å; I582-K586 PolarHBondContact O-N 2.85Å; K586-I590 WeakPolarHBondContact O-CD1 3.29Å; K586-I590 WeakPolarHBondContact O-CG1 3.26Å; K586-T621 HydrophobicContact CB-CG2 4.13Å
587	V	94.4	Very high	93.5	Very high	17 Å²	17	31.8 Å²	31.8	10%	0.103	17%	0.17	C	C	.	.	I	π-helix	trans	-87.8	-43.8	-176.6	178.3	0	0	0	0	110.8	I583 I590 L591 C618 T621 L622	I583-V587 HydrophobicContact CG2-CB 4.21Å; I583-V587 HydrophobicContact CG2-CG2 4.39Å; I583-V587 WeakPolarHBondContact O-CA 3.37Å; I583-V587 VanDerWaalsContact O-CB 3.28Å; I583-V587 WeakPolarHBondContact O-CB 3.24Å; I583-V587 PolarHBondContact O-N 2.86Å; V587-I590 WeakPolarHBondContact O-CB 3.43Å; V587-I590 PolarHBondContact O-N 2.97Å; V587-I590 VanDerWaalsContact O-N 3.11Å; V587-L591 HydrophobicContact CG1-CD1 3.88Å; V587-L591 HydrophobicContact CG1-CG 4.18Å; V587-L591 PolarHBondContact O-N 3.39Å; V587-L591 VanDerWaalsContact O-N 3.11Å; V587-C618 HydrophobicContact CG1-CB 4.27Å; V587-T621 HydrophobicContact CG2-CG2 3.98Å; V587-L622 HydrophobicContact CG2-CD1 4.17Å; V587-L622 HydrophobicContact CG2-CD2 3.78Å; V587-L622 HydrophobicContact CG2-CG 3.92Å
588	L	92.7	Very high	93.7	Very high	90 Å²	90	31.7 Å²	31.7	47%	0.471	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-43	-176.8	-173.3	65.5	0	0	0	113.3	I583 P584 I590 L591 L592	I583-L588 PolarHBondContact O-N 2.9Å; P584-L588 WeakPolarHBondContact O-CB 3.35Å; L588-I590 VanDerWaalsContact C-N 3.27Å; L588-I590 PolarHBondContact O-N 3.3Å; L588-L591 PolarHBondContact O-N 2.89Å; L588-L592 HydrophobicContact CD1-CD1 4Å; L588-L592 HydrophobicContact CD1-CG 4.12Å; L588-L592 HydrophobicContact CD2-CD1 4.4Å; L588-L592 HydrophobicContact CG-CD1 3.79Å; L588-L592 HydrophobicContact CG-CG 4.29Å; L588-L592 WeakPolarHBondContact O-CB 3.22Å; L588-L592 VanDerWaalsContact O-CG 3.3Å; L588-L592 WeakPolarHBondContact O-CG 3.34Å; L588-L592 PolarHBondContact O-N 3.32Å
589	P	93.2	Very high	93.9	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-33.5	175.9	-25.7	37.2	0	0	0	113.6	Y505 T585 L592 F593	Y505-P589 HydrophobicContact CD2-CB 3.4Å; Y505-P589 VanDerWaalsContact CD2-CB 3.4Å; Y505-P589 HydrophobicContact CD2-CG 4.29Å; Y505-P589 HydrophobicContact CE2-CB 3.93Å; Y505-P589 HydrophobicContact CG-CB 3.88Å; T585-P589 WeakPolarHBondContact O-CG 3.45Å; P589-L592 PolarHBondContact O-N 3.37Å; P589-F593 HydrophobicContact CB-CD2 4.18Å; P589-F593 HydrophobicContact CB-CE2 4.49Å; P589-F593 WeakPolarHBondContact O-CB 3.46Å; P589-F593 WeakPolarHBondContact O-CD2 3.35Å; P589-F593 PolarHBondContact O-N 3.29Å
590	I	95.1	Very high	94.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-55.1	176	-65.2	173.7	0	0	0	108.8	Y505 V541 K586 V587 L588 L592 F593 M594 P595 L617 T621	Y505-I590 HydrophobicContact CE1-CG1 3.88Å; V541-I590 HydrophobicContact CG1-CD1 3.79Å; V541-I590 HydrophobicContact CG2-CD1 3.94Å; V541-I590 HydrophobicContact CG2-CG1 4.33Å; K586-I590 WeakPolarHBondContact O-CD1 3.29Å; K586-I590 WeakPolarHBondContact O-CG1 3.26Å; V587-I590 WeakPolarHBondContact O-CB 3.43Å; V587-I590 PolarHBondContact O-N 2.97Å; V587-I590 VanDerWaalsContact O-N 3.11Å; L588-I590 VanDerWaalsContact C-N 3.27Å; L588-I590 PolarHBondContact O-N 3.3Å; I590-L592 PolarHBondContact O-N 2.87Å; I590-L592 VanDerWaalsContact O-N 3.11Å; I590-F593 PolarHBondContact O-N 3.03Å; I590-M594 HydrophobicContact CB-CG 4.49Å; I590-M594 HydrophobicContact CG2-CB 4.28Å; I590-M594 HydrophobicContact CG2-CG 3.99Å; I590-M594 VanDerWaalsContact O-CB 3.3Å; I590-M594 WeakPolarHBondContact O-CB 3.36Å; I590-M594 PolarHBondContact O-N 2.95Å; I590-P595 WeakPolarHBondContact O-CD 3.42Å; I590-L617 HydrophobicContact CG2-CB 3.78Å; I590-L617 HydrophobicContact CG2-CD1 4.4Å; I590-T621 HydrophobicContact CD1-CG2 3.6Å
591	L	95.7	Very high	94.2	Very high	85 Å²	85	35.2 Å²	35.2	45%	0.445	18%	0.178	S	C	.	.	H	α-helix	trans	-58.8	-27.8	-178.9	-65.7	176.8	0	0	0	114	V587 L588 P595 E614	V587-L591 HydrophobicContact CG1-CD1 3.88Å; V587-L591 HydrophobicContact CG1-CG 4.18Å; V587-L591 PolarHBondContact O-N 3.39Å; V587-L591 VanDerWaalsContact O-N 3.11Å; L588-L591 PolarHBondContact O-N 2.89Å; L591-P595 WeakPolarHBondContact O-CG 3.43Å; L591-E614 HydrophobicContact CD2-CB 4.36Å
592	L	94.5	Very high	94.5	Very high	100 Å²	100	36.1 Å²	36.1	52%	0.524	19%	0.19	S	C	.	.	H	α-helix	trans	-89.9	-39.4	-179	-67.8	177.1	0	0	0	113.4	L588 P589 I590	L588-L592 HydrophobicContact CD1-CD1 4Å; L588-L592 HydrophobicContact CD1-CG 4.12Å; L588-L592 HydrophobicContact CD2-CD1 4.4Å; L588-L592 HydrophobicContact CG-CD1 3.79Å; L588-L592 HydrophobicContact CG-CG 4.29Å; L588-L592 WeakPolarHBondContact O-CB 3.22Å; L588-L592 VanDerWaalsContact O-CG 3.3Å; L588-L592 WeakPolarHBondContact O-CG 3.34Å; L588-L592 PolarHBondContact O-N 3.32Å; P589-L592 PolarHBondContact O-N 3.37Å; I590-L592 PolarHBondContact O-N 2.87Å; I590-L592 VanDerWaalsContact O-N 3.11Å
593	F	95.5	Very high	94.6	Very high	34 Å²	34	36.3 Å²	36.3	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-107.9	-30.5	-169.3	-59.6	-68.5	0	0	0	114.2	T502 L506 A509 P589 I590 P595 I596	T502-F593 HydrophobicContact CG2-CE2 3.34Å; T502-F593 HydrophobicContact CG2-CZ 3.45Å; T502-F593 VanDerWaalsContact CG2-CZ 3.45Å; L506-F593 HydrophobicContact CB-CD1 3.83Å; L506-F593 HydrophobicContact CB-CE1 3.94Å; L506-F593 HydrophobicContact CB-CG 4.34Å; L506-F593 HydrophobicContact CD1-CD1 3.69Å; L506-F593 HydrophobicContact CD1-CE1 3.92Å; L506-F593 HydrophobicContact CD2-CE1 4.49Å; L506-F593 HydrophobicContact CG-CD1 4.31Å; L506-F593 HydrophobicContact CG-CE1 4.33Å; A509-F593 HydrophobicContact CB-CB 4.31Å; A509-F593 WeakPolarHBondContact CB-O 3.35Å; P589-F593 HydrophobicContact CB-CD2 4.18Å; P589-F593 HydrophobicContact CB-CE2 4.49Å; P589-F593 WeakPolarHBondContact O-CB 3.46Å; P589-F593 WeakPolarHBondContact O-CD2 3.35Å; P589-F593 PolarHBondContact O-N 3.29Å; I590-F593 PolarHBondContact O-N 3.03Å; F593-P595 VanDerWaalsContact C-N 3.33Å; F593-I596 HydrophobicContact CD1-CD1 4.21Å; F593-I596 VanDerWaalsContact O-CB 3.32Å; F593-I596 WeakPolarHBondContact O-CB 3.25Å; F593-I596 PolarHBondContact O-N 3.06Å; F593-I596 VanDerWaalsContact O-N 3.13Å
594	M	95.5	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-26.6	176.5	-72.2	-66.5	-179	0	0	114.7	Y505 F508 V541 I590 I596 C597 Y598 F613 L617	Y505-M594 HydrophobicContact CD1-CE 3.86Å; Y505-M594 HydrophobicContact CE1-CE 3.76Å; F508-M594 HydrophobicContact CD1-CE 3.74Å; F508-M594 HydrophobicContact CD1-SD 4.48Å; F508-M594 HydrophobicContact CE1-CE 3.81Å; F508-M594 HydrophobicContact CE1-SD 4.49Å; V541-M594 HydrophobicContact CG2-CE 4.1Å; I590-M594 HydrophobicContact CB-CG 4.49Å; I590-M594 HydrophobicContact CG2-CB 4.28Å; I590-M594 HydrophobicContact CG2-CG 3.99Å; I590-M594 VanDerWaalsContact O-CB 3.3Å; I590-M594 WeakPolarHBondContact O-CB 3.36Å; I590-M594 PolarHBondContact O-N 2.95Å; M594-I596 PolarHBondContact O-N 3.16Å; M594-C597 PolarHBondContact O-N 3.31Å; M594-C597 VanDerWaalsContact O-N 3.16Å; M594-Y598 PolarHBondContact O-N 3.31Å; M594-F613 HydrophobicContact CB-CE1 4.2Å; M594-L617 HydrophobicContact CB-CD1 4.14Å; M594-L617 HydrophobicContact CG-CD1 3.89Å; M594-L617 HydrophobicContact SD-CD1 4.22Å
595	P	97	Very high	94.6	Very high	23 Å²	23	41 Å²	41	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-34.2	170.5	-27.5	35.8	0	0	0	113.2	I590 L591 F593 C597 Y598 W599 F610 E614	I590-P595 WeakPolarHBondContact O-CD 3.42Å; L591-P595 WeakPolarHBondContact O-CG 3.43Å; F593-P595 VanDerWaalsContact C-N 3.33Å; P595-C597 VanDerWaalsContact C-N 3.34Å; P595-C597 PolarHBondContact O-N 3.33Å; P595-Y598 PolarHBondContact O-N 3.12Å; P595-W599 PolarHBondContact O-N 3.11Å; P595-W599 VanDerWaalsContact O-N 3.07Å; P595-F610 HydrophobicContact CB-CE2 3.92Å; P595-F610 HydrophobicContact CB-CZ 4.16Å; P595-F610 HydrophobicContact CG-CE2 3.98Å; P595-F610 HydrophobicContact CG-CZ 3.97Å; P595-E614 WeakPolarHBondContact CD-OE1 3.3Å; P595-E614 WeakPolarHBondContact CG-OE1 3.34Å
596	I	96.7	Very high	94.8	Very high	55 Å²	55	44 Å²	44	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-49.1	178.1	-58.8	172.3	0	0	0	109.7	L506 A509 L510 F593 M594 M600	L506-I596 HydrophobicContact CD1-CD1 4.03Å; A509-I596 HydrophobicContact CB-CB 4.37Å; L510-I596 HydrophobicContact CD2-CG2 3.97Å; F593-I596 HydrophobicContact CD1-CD1 4.21Å; F593-I596 VanDerWaalsContact O-CB 3.32Å; F593-I596 WeakPolarHBondContact O-CB 3.25Å; F593-I596 PolarHBondContact O-N 3.06Å; F593-I596 VanDerWaalsContact O-N 3.13Å; M594-I596 PolarHBondContact O-N 3.16Å; I596-M600 HydrophobicContact CG2-CG 4.4Å; I596-M600 HydrophobicContact CG2-SD 3.69Å; I596-M600 WeakPolarHBondContact O-CB 3.5Å; I596-M600 VanDerWaalsContact O-CG 3.22Å; I596-M600 WeakPolarHBondContact O-CG 3.49Å; I596-M600 PolarHBondContact O-N 3.37Å
597	C	96.5	Very high	94.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-43.7	178.9	-171.1	0	0	0	0	111.5	A509 M594 P595 W599 M600 A601	A509-C597 HydrophobicContact CB-CB 4.16Å; M594-C597 PolarHBondContact O-N 3.31Å; M594-C597 VanDerWaalsContact O-N 3.16Å; P595-C597 VanDerWaalsContact C-N 3.34Å; P595-C597 PolarHBondContact O-N 3.33Å; C597-W599 PolarHBondContact O-N 3.49Å; C597-M600 PolarHBondContact O-N 2.91Å; C597-A601 WeakPolarHBondContact O-CB 3.39Å; C597-A601 PolarHBondContact O-N 2.93Å
598	Y	96.9	Very high	94.8	Very high	4 Å²	4	52 Å²	52	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-50.1	-179.7	-174.1	-91.8	0	0	0	112.8	M594 P595 G602 L603 Q604 F610 F613	M594-Y598 PolarHBondContact O-N 3.31Å; P595-Y598 PolarHBondContact O-N 3.12Å; Y598-G602 PolarHBondContact O-N 3.31Å; Y598-L603 HydrophobicContact CD2-CB 4.06Å; Y598-L603 HydrophobicContact CD2-CD1 3.4Å; Y598-L603 HydrophobicContact CD2-CG 4.35Å; Y598-L603 HydrophobicContact CE1-CB 4.35Å; Y598-L603 HydrophobicContact CE2-CB 3.73Å; Y598-L603 HydrophobicContact CE2-CD1 3.7Å; Y598-L603 HydrophobicContact CE2-CG 4.38Å; Y598-L603 HydrophobicContact CG-CB 4.49Å; Y598-L603 HydrophobicContact CG-CD1 4.13Å; Y598-Q604 PolarHBondContact OH-O 3.19Å; Y598-F610 HydrophobicContact CD1-CB 4.45Å; Y598-F610 AromaticContact CD1-CD2 3.78Å; Y598-F610 HydrophobicContact CD1-CD2 3.78Å; Y598-F610 HydrophobicContact CD2-CD2 4.46Å; Y598-F610 HydrophobicContact CE1-CB 3.77Å; Y598-F610 AromaticContact CE1-CD2 3.97Å; Y598-F610 HydrophobicContact CE1-CD2 3.97Å; Y598-F610 HydrophobicContact CE1-CG 4.31Å; Y598-F610 HydrophobicContact CG-CD2 4.03Å; Y598-F610 WeakPolarHBondContact OH-CA 3.21Å; Y598-F610 PolarHBondContact OH-N 3.34Å; Y598-F610 VanDerWaalsContact OH-N 3.12Å; Y598-F613 HydrophobicContact CD2-CB 4.13Å; Y598-F613 AromaticContact CD2-CD1 3.65Å; Y598-F613 HydrophobicContact CD2-CD1 3.65Å; Y598-F613 AromaticContact CD2-CD2 3.92Å; Y598-F613 HydrophobicContact CD2-CD2 3.92Å; Y598-F613 AromaticContact CD2-CE1 3.96Å; Y598-F613 HydrophobicContact CD2-CE1 3.96Å; Y598-F613 HydrophobicContact CD2-CE2 4.25Å; Y598-F613 AromaticContact CD2-CG 3.64Å; Y598-F613 HydrophobicContact CD2-CG 3.64Å; Y598-F613 HydrophobicContact CD2-CZ 4.26Å; Y598-F613 HydrophobicContact CE2-CB 3.86Å; Y598-F613 HydrophobicContact CE2-CD1 4.26Å; Y598-F613 HydrophobicContact CE2-CD2 4.16Å; Y598-F613 AromaticContact CE2-CG 3.86Å; Y598-F613 HydrophobicContact CE2-CG 3.86Å; Y598-F613 HydrophobicContact CG-CD1 4.43Å
599	W	96.6	Very high	94.9	Very high	137 Å²	137	47.8 Å²	47.8	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-75.5	-36.4	-177.5	-65.6	114.3	0	0	0	112.7	P595 C597 A601 G602 F610	P595-W599 PolarHBondContact O-N 3.11Å; P595-W599 VanDerWaalsContact O-N 3.07Å; C597-W599 PolarHBondContact O-N 3.49Å; W599-A601 VanDerWaalsContact C-N 3.33Å; W599-G602 PolarHBondContact O-N 3.02Å; W599-F610 HydrophobicContact CZ2-CG 4.4Å
600	M	96.7	Very high	95	Very high	43 Å²	43	49.1 Å²	49.1	21%	0.212	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-37.5	174.7	-73.2	-178.7	73.5	0	0	112.1	L510 I514 F517 Q518 I596 C597 G602	L510-M600 HydrophobicContact CD2-SD 4.38Å; I514-M600 HydrophobicContact CG1-CE 3.84Å; F517-M600 HydrophobicContact CD2-CB 4.37Å; F517-M600 HydrophobicContact CD2-CE 4.21Å; Q518-M600 PolarHBondContact N-O 3.32Å; I596-M600 HydrophobicContact CG2-CG 4.4Å; I596-M600 HydrophobicContact CG2-SD 3.69Å; I596-M600 WeakPolarHBondContact O-CB 3.5Å; I596-M600 VanDerWaalsContact O-CG 3.22Å; I596-M600 WeakPolarHBondContact O-CG 3.49Å; I596-M600 PolarHBondContact O-N 3.37Å; C597-M600 PolarHBondContact O-N 2.91Å; M600-G602 VanDerWaalsContact C-N 3.25Å; M600-G602 PolarHBondContact O-N 3.05Å
601	A	95.8	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72	-18.6	-178.9	0	0	0	0	0	113.9	Y516 M519 L533 C597 W599 L603	Y516-A601 VanDerWaalsContact O-CA 3.28Å; Y516-A601 WeakPolarHBondContact O-CA 3.38Å; M519-A601 HydrophobicContact CE-CB 4.1Å; M519-A601 PolarHBondContact N-O 2.95Å; L533-A601 HydrophobicContact CD2-CB 3.49Å; L533-A601 VanDerWaalsContact CD2-CB 3.49Å; C597-A601 WeakPolarHBondContact O-CB 3.39Å; C597-A601 PolarHBondContact O-N 2.93Å; W599-A601 VanDerWaalsContact C-N 3.33Å; A601-L603 HydrophobicContact CB-CG 4.29Å
602	G	94.3	Very high	95.1	Very high	30 Å²	30	50.2 Å²	50.2	31%	0.309	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	34.5	179.2	0	0	0	0	0	114.1	Y598 W599 M600	Y598-G602 PolarHBondContact O-N 3.31Å; W599-G602 PolarHBondContact O-N 3.02Å; M600-G602 VanDerWaalsContact C-N 3.25Å; M600-G602 PolarHBondContact O-N 3.05Å
603	L	94.6	Very high	95.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.233	C	C	.	.			trans	-66.5	177.1	176.1	-66.3	171	0	0	0	112.4	M519 R530 L533 F534 Y598 A601 K605 F613 E689	M519-L603 HydrophobicContact CE-CD2 3.66Å; M519-L603 HydrophobicContact CE-CG 4.36Å; R530-L603 HydrophobicContact CG-CD2 4.48Å; L533-L603 HydrophobicContact CD2-CD1 4.17Å; L533-L603 HydrophobicContact CD2-CD2 4.39Å; L533-L603 HydrophobicContact CD2-CG 4.47Å; F534-L603 HydrophobicContact CE1-CD1 3.72Å; F534-L603 HydrophobicContact CE1-CD2 3.95Å; F534-L603 HydrophobicContact CZ-CD1 4.25Å; F534-L603 HydrophobicContact CZ-CD2 3.82Å; Y598-L603 HydrophobicContact CD2-CB 4.06Å; Y598-L603 HydrophobicContact CD2-CD1 3.4Å; Y598-L603 HydrophobicContact CD2-CG 4.35Å; Y598-L603 HydrophobicContact CE1-CB 4.35Å; Y598-L603 HydrophobicContact CE2-CB 3.73Å; Y598-L603 HydrophobicContact CE2-CD1 3.7Å; Y598-L603 HydrophobicContact CE2-CG 4.38Å; Y598-L603 HydrophobicContact CG-CB 4.49Å; Y598-L603 HydrophobicContact CG-CD1 4.13Å; A601-L603 HydrophobicContact CB-CG 4.29Å; L603-K605 PolarHBondContact O-N 2.89Å; L603-F613 HydrophobicContact CD1-CE2 4.36Å; L603-E689 HydrophobicContact CD2-CG 4.19Å
604	Q	92.6	Very high	95.2	Very high	36 Å²	36	44.5 Å²	44.5	17%	0.168	23%	0.228	C	C	.	.			trans	-45.9	124.4	179.8	-78	-67.5	-19.8	0	0	113.3	Y598 T606 A609 E689 T692	Y598-Q604 PolarHBondContact OH-O 3.19Å; Q604-T606 VanDerWaalsContact C-N 3.25Å; Q604-T606 PolarHBondContact O-N 2.95Å; Q604-A609 HydrophobicContact CB-CB 3.78Å; Q604-E689 WeakPolarHBondContact CG-OE2 3.16Å; Q604-E689 PolarHBondContact N-OE2 3.23Å; Q604-E689 VanDerWaalsContact N-OE2 3.13Å; Q604-T692 VanDerWaalsContact CD-OG1 3.23Å; Q604-T692 PolarHBondContact NE2-OG1 3.24Å
605	K	90.9	Very high	95.3	Very high	174 Å²	174	47.6 Å²	47.6	76%	0.757	24%	0.244	S	C	*	.			trans	-79.7	-1.3	-172.1	-61.8	179.5	-178	175.1	0	115	L603	L603-K605 PolarHBondContact O-N 2.89Å
606	T	93.5	Very high	95.3	Very high	81 Å²	81	46.5 Å²	46.5	50%	0.497	24%	0.237	S	C	.	.			trans	-74.6	136.7	-177.8	66.4	0	0	0	0	110.6	Q604 G608 A609 F610	Q604-T606 VanDerWaalsContact C-N 3.25Å; Q604-T606 PolarHBondContact O-N 2.95Å; T606-G608 PolarHBondContact O-N 3.04Å; T606-A609 PolarHBondContact O-N 3.22Å; T606-A609 VanDerWaalsContact OG1-CB 3.27Å; T606-A609 WeakPolarHBondContact OG1-CB 3.37Å; T606-A609 PolarHBondContact OG1-N 3.44Å; T606-F610 PolarHBondContact O-N 3.32Å
607	F	93.8	Very high	95.4	Very high	145 Å²	145	43.9 Å²	43.9	64%	0.636	22%	0.223	S	C	*	.	H	α-helix	trans	-57.8	-35.3	178.8	-178.4	-107.3	0	0	0	112.4	F610 M611	F607-F610 HydrophobicContact CD2-CD1 4.31Å; F607-F610 HydrophobicContact CE2-CD1 4.29Å; F607-F610 PolarHBondContact O-N 3.29Å; F607-M611 HydrophobicContact CD1-CG 4.07Å; F607-M611 HydrophobicContact CD2-CG 4.26Å; F607-M611 HydrophobicContact CE1-CG 3.59Å; F607-M611 HydrophobicContact CE1-SD 4.35Å; F607-M611 HydrophobicContact CE2-CG 3.79Å; F607-M611 HydrophobicContact CE2-SD 3.93Å; F607-M611 HydrophobicContact CG-CG 4.38Å; F607-M611 HydrophobicContact CZ-CE 4.03Å; F607-M611 HydrophobicContact CZ-CG 3.44Å; F607-M611 VanDerWaalsContact CZ-CG 3.44Å; F607-M611 HydrophobicContact CZ-SD 3.64Å; F607-M611 WeakPolarHBondContact O-CG 3.38Å; F607-M611 PolarHBondContact O-N 3.48Å
608	G	93.5	Very high	95.5	Very high	44 Å²	44	44.4 Å²	44.4	45%	0.454	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-40.6	175.6	0	0	0	0	0	113.4	T606 F612	T606-G608 PolarHBondContact O-N 3.04Å; G608-F612 VanDerWaalsContact O-CB 3.29Å; G608-F612 WeakPolarHBondContact O-CB 3.48Å; G608-F612 PolarHBondContact O-N 3.38Å
609	A	93.5	Very high	95.5	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-41.5	177	0	0	0	0	0	111.9	Q604 T606 F612 F613 M688	Q604-A609 HydrophobicContact CB-CB 3.78Å; T606-A609 PolarHBondContact O-N 3.22Å; T606-A609 VanDerWaalsContact OG1-CB 3.27Å; T606-A609 WeakPolarHBondContact OG1-CB 3.37Å; T606-A609 PolarHBondContact OG1-N 3.44Å; A609-F612 PolarHBondContact O-N 3.19Å; A609-F613 WeakPolarHBondContact O-CB 3.35Å; A609-F613 PolarHBondContact O-N 3.05Å; A609-M688 HydrophobicContact CB-CG 3.77Å; A609-M688 HydrophobicContact CB-SD 3.95Å
610	F	96.3	Very high	95.5	Very high	31 Å²	31	38.3 Å²	38.3	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-49.9	175.8	166.8	-110.4	0	0	0	112	P595 Y598 W599 T606 F607 F612 F613 E614	P595-F610 HydrophobicContact CB-CE2 3.92Å; P595-F610 HydrophobicContact CB-CZ 4.16Å; P595-F610 HydrophobicContact CG-CE2 3.98Å; P595-F610 HydrophobicContact CG-CZ 3.97Å; Y598-F610 HydrophobicContact CD1-CB 4.45Å; Y598-F610 AromaticContact CD1-CD2 3.78Å; Y598-F610 HydrophobicContact CD1-CD2 3.78Å; Y598-F610 HydrophobicContact CD2-CD2 4.46Å; Y598-F610 HydrophobicContact CE1-CB 3.77Å; Y598-F610 AromaticContact CE1-CD2 3.97Å; Y598-F610 HydrophobicContact CE1-CD2 3.97Å; Y598-F610 HydrophobicContact CE1-CG 4.31Å; Y598-F610 HydrophobicContact CG-CD2 4.03Å; Y598-F610 WeakPolarHBondContact OH-CA 3.21Å; Y598-F610 PolarHBondContact OH-N 3.34Å; Y598-F610 VanDerWaalsContact OH-N 3.12Å; W599-F610 HydrophobicContact CZ2-CG 4.4Å; T606-F610 PolarHBondContact O-N 3.32Å; F607-F610 HydrophobicContact CD2-CD1 4.31Å; F607-F610 HydrophobicContact CE2-CD1 4.29Å; F607-F610 PolarHBondContact O-N 3.29Å; F610-F612 VanDerWaalsContact C-N 3.28Å; F610-F612 PolarHBondContact O-N 3.23Å; F610-F613 WeakPolarHBondContact O-CB 3.04Å; F610-F613 PolarHBondContact O-N 3.44Å; F610-E614 HydrophobicContact CD2-CG 4.34Å; F610-E614 HydrophobicContact CE2-CG 3.72Å; F610-E614 HydrophobicContact CZ-CG 3.85Å; F610-E614 PolarHBondContact O-N 3.39Å
611	M	96.4	Very high	95.5	Very high	98 Å²	98	36.3 Å²	36.3	48%	0.483	20%	0.195	S	C	.	.	H	α-helix	trans	-64.8	-34.4	179.4	-67.6	-64.2	-84.6	0	0	112.1	F607 L615	F607-M611 HydrophobicContact CD1-CG 4.07Å; F607-M611 HydrophobicContact CD2-CG 4.26Å; F607-M611 HydrophobicContact CE1-CG 3.59Å; F607-M611 HydrophobicContact CE1-SD 4.35Å; F607-M611 HydrophobicContact CE2-CG 3.79Å; F607-M611 HydrophobicContact CE2-SD 3.93Å; F607-M611 HydrophobicContact CG-CG 4.38Å; F607-M611 HydrophobicContact CZ-CE 4.03Å; F607-M611 HydrophobicContact CZ-CG 3.44Å; F607-M611 VanDerWaalsContact CZ-CG 3.44Å; F607-M611 HydrophobicContact CZ-SD 3.64Å; F607-M611 WeakPolarHBondContact O-CG 3.38Å; F607-M611 PolarHBondContact O-N 3.48Å; M611-L615 VanDerWaalsContact O-CB 3.26Å; M611-L615 WeakPolarHBondContact O-CB 3.13Å; M611-L615 PolarHBondContact O-N 3Å
612	F	95.6	Very high	95.6	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.044	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-38.9	175.6	-168.1	-93.5	0	0	0	112.3	G608 A609 F610 L615 I616 M688 L729 V733	G608-F612 VanDerWaalsContact O-CB 3.29Å; G608-F612 WeakPolarHBondContact O-CB 3.48Å; G608-F612 PolarHBondContact O-N 3.38Å; A609-F612 PolarHBondContact O-N 3.19Å; F610-F612 VanDerWaalsContact C-N 3.28Å; F610-F612 PolarHBondContact O-N 3.23Å; F612-L615 PolarHBondContact O-N 2.76Å; F612-I616 HydrophobicContact CD1-CG1 3.91Å; F612-I616 HydrophobicContact CE1-CD1 3.93Å; F612-I616 HydrophobicContact CE1-CG1 3.44Å; F612-I616 VanDerWaalsContact CE1-CG1 3.44Å; F612-I616 HydrophobicContact CZ-CD1 3.82Å; F612-I616 HydrophobicContact CZ-CG1 3.8Å; F612-I616 WeakPolarHBondContact O-CG1 3.41Å; F612-I616 PolarHBondContact O-N 3.16Å; F612-M688 HydrophobicContact CB-CE 3.49Å; F612-M688 VanDerWaalsContact CB-CE 3.49Å; F612-M688 HydrophobicContact CD1-CB 4.03Å; F612-M688 HydrophobicContact CD1-CE 3.93Å; F612-M688 HydrophobicContact CD1-CG 4.3Å; F612-M688 HydrophobicContact CD2-CE 4.22Å; F612-M688 HydrophobicContact CE1-CB 4.49Å; F612-M688 HydrophobicContact CG-CE 3.6Å; F612-L729 HydrophobicContact CD1-CD1 4.11Å; F612-L729 HydrophobicContact CD1-CG 4.46Å; F612-L729 HydrophobicContact CD2-CD2 3.86Å; F612-L729 HydrophobicContact CD2-CG 4.26Å; F612-L729 HydrophobicContact CE1-CD1 3.52Å; F612-L729 HydrophobicContact CE1-CD2 4.32Å; F612-L729 HydrophobicContact CE1-CG 3.83Å; F612-L729 HydrophobicContact CE2-CD1 4.24Å; F612-L729 HydrophobicContact CE2-CD2 3.65Å; F612-L729 HydrophobicContact CE2-CG 3.6Å; F612-L729 HydrophobicContact CG-CD2 4.3Å; F612-L729 HydrophobicContact CZ-CD1 3.62Å; F612-L729 HydrophobicContact CZ-CD2 3.92Å; F612-L729 HydrophobicContact CZ-CG 3.37Å; F612-V733 HydrophobicContact CE2-CG2 3.59Å; F612-V733 HydrophobicContact CZ-CG2 3.72Å
613	F	96.7	Very high	95.8	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-52.3	172.3	171.1	-89.2	0	0	0	111	F534 M594 Y598 L603 A609 F610 L615 I616 L617 L685	F534-F613 HydrophobicContact CD1-CE2 4.12Å; F534-F613 HydrophobicContact CE1-CD2 4.05Å; F534-F613 AromaticContact CE1-CE2 3.88Å; F534-F613 HydrophobicContact CE1-CE2 3.88Å; M594-F613 HydrophobicContact CB-CE1 4.2Å; Y598-F613 HydrophobicContact CD2-CB 4.13Å; Y598-F613 AromaticContact CD2-CD1 3.65Å; Y598-F613 HydrophobicContact CD2-CD1 3.65Å; Y598-F613 AromaticContact CD2-CD2 3.92Å; Y598-F613 HydrophobicContact CD2-CD2 3.92Å; Y598-F613 AromaticContact CD2-CE1 3.96Å; Y598-F613 HydrophobicContact CD2-CE1 3.96Å; Y598-F613 HydrophobicContact CD2-CE2 4.25Å; Y598-F613 AromaticContact CD2-CG 3.64Å; Y598-F613 HydrophobicContact CD2-CG 3.64Å; Y598-F613 HydrophobicContact CD2-CZ 4.26Å; Y598-F613 HydrophobicContact CE2-CB 3.86Å; Y598-F613 HydrophobicContact CE2-CD1 4.26Å; Y598-F613 HydrophobicContact CE2-CD2 4.16Å; Y598-F613 AromaticContact CE2-CG 3.86Å; Y598-F613 HydrophobicContact CE2-CG 3.86Å; Y598-F613 HydrophobicContact CG-CD1 4.43Å; L603-F613 HydrophobicContact CD1-CE2 4.36Å; A609-F613 WeakPolarHBondContact O-CB 3.35Å; A609-F613 PolarHBondContact O-N 3.05Å; F610-F613 WeakPolarHBondContact O-CB 3.04Å; F610-F613 PolarHBondContact O-N 3.44Å; F613-L615 PolarHBondContact O-N 3.02Å; F613-I616 PolarHBondContact O-N 2.85Å; F613-L617 HydrophobicContact CD1-CD1 4.15Å; F613-L617 HydrophobicContact CE1-CD1 3.49Å; F613-L617 VanDerWaalsContact CE1-CD1 3.49Å; F613-L617 HydrophobicContact CE1-CG 4.44Å; F613-L617 HydrophobicContact CE2-CD1 4.14Å; F613-L617 HydrophobicContact CZ-CD1 3.48Å; F613-L617 VanDerWaalsContact CZ-CD1 3.48Å; F613-L617 HydrophobicContact CZ-CG 4.4Å; F613-L617 WeakPolarHBondContact O-CG 3.37Å; F613-L617 PolarHBondContact O-N 3.27Å; F613-L685 HydrophobicContact CB-CD2 4.36Å; F613-L685 HydrophobicContact CD2-CD2 3.55Å; F613-L685 HydrophobicContact CE2-CD2 4.18Å; F613-L685 HydrophobicContact CG-CD2 4.22Å
614	E	96.8	Very high	95.9	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-43.5	177.1	-74	-62.5	155.8	0	0	112.2	L591 P595 F610 I616 L617 C618	L591-E614 HydrophobicContact CD2-CB 4.36Å; P595-E614 WeakPolarHBondContact CD-OE1 3.3Å; P595-E614 WeakPolarHBondContact CG-OE1 3.34Å; F610-E614 HydrophobicContact CD2-CG 4.34Å; F610-E614 HydrophobicContact CE2-CG 3.72Å; F610-E614 HydrophobicContact CZ-CG 3.85Å; F610-E614 PolarHBondContact O-N 3.39Å; E614-I616 PolarHBondContact O-N 3.44Å; E614-L617 PolarHBondContact O-N 3.32Å; E614-C618 WeakPolarHBondContact O-CB 3.47Å; E614-C618 PolarHBondContact O-N 3.45Å; E614-C618 PolarHBondContact O-SG 2.76Å
615	L	97.4	Very high	96	Very high	65 Å²	65	34.2 Å²	34.2	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-59.4	-47.2	177.8	176.8	65	0	0	0	111.8	M611 F612 F613 C618 L619 W730 V733	M611-L615 VanDerWaalsContact O-CB 3.26Å; M611-L615 WeakPolarHBondContact O-CB 3.13Å; M611-L615 PolarHBondContact O-N 3Å; F612-L615 PolarHBondContact O-N 2.76Å; F613-L615 PolarHBondContact O-N 3.02Å; L615-C618 PolarHBondContact O-N 3.19Å; L615-L619 HydrophobicContact CD1-CD1 3.92Å; L615-L619 HydrophobicContact CD1-CG 4.11Å; L615-L619 HydrophobicContact CG-CD1 4.04Å; L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 WeakPolarHBondContact O-CG 3.49Å; L615-L619 PolarHBondContact O-N 3.25Å; L615-W730 HydrophobicContact CD2-CZ3 4.1Å; L615-V733 HydrophobicContact CD2-CG2 4.38Å
616	I	97.5	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-46.5	178.9	-72.3	-68.8	0	0	0	110.4	F612 F613 E614 C618 L619 T620 L685 V733 L736	F612-I616 HydrophobicContact CD1-CG1 3.91Å; F612-I616 HydrophobicContact CE1-CD1 3.93Å; F612-I616 HydrophobicContact CE1-CG1 3.44Å; F612-I616 VanDerWaalsContact CE1-CG1 3.44Å; F612-I616 HydrophobicContact CZ-CD1 3.82Å; F612-I616 HydrophobicContact CZ-CG1 3.8Å; F612-I616 WeakPolarHBondContact O-CG1 3.41Å; F612-I616 PolarHBondContact O-N 3.16Å; F613-I616 PolarHBondContact O-N 2.85Å; E614-I616 PolarHBondContact O-N 3.44Å; I616-C618 VanDerWaalsContact C-N 3.35Å; I616-C618 PolarHBondContact O-N 3.49Å; I616-L619 PolarHBondContact O-N 3.32Å; I616-T620 VanDerWaalsContact O-CB 3.27Å; I616-T620 WeakPolarHBondContact O-CB 3.18Å; I616-T620 PolarHBondContact O-N 3.37Å; I616-T620 PolarHBondContact O-OG1 2.9Å; I616-L685 HydrophobicContact CB-CD2 4.09Å; I616-L685 HydrophobicContact CG2-CD1 4.42Å; I616-L685 HydrophobicContact CG2-CD2 3.94Å; I616-L685 HydrophobicContact CG2-CG 3.85Å; I616-V733 HydrophobicContact CD1-CG2 3.77Å; I616-L736 HydrophobicContact CD1-CD1 4.03Å; I616-L736 HydrophobicContact CG2-CD1 4.37Å
617	L	97.7	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-41.6	178	-65.5	-172.5	0	0	0	112.1	C537 V541 I590 M594 F613 E614 T620 T621 L685	C537-L617 HydrophobicContact CB-CD2 4.36Å; V541-L617 WeakPolarHBondContact CG1-O 3.34Å; V541-L617 HydrophobicContact CG2-CB 4.5Å; V541-L617 HydrophobicContact CG2-CD2 4.34Å; I590-L617 HydrophobicContact CG2-CB 3.78Å; I590-L617 HydrophobicContact CG2-CD1 4.4Å; M594-L617 HydrophobicContact CB-CD1 4.14Å; M594-L617 HydrophobicContact CG-CD1 3.89Å; M594-L617 HydrophobicContact SD-CD1 4.22Å; F613-L617 HydrophobicContact CD1-CD1 4.15Å; F613-L617 HydrophobicContact CE1-CD1 3.49Å; F613-L617 VanDerWaalsContact CE1-CD1 3.49Å; F613-L617 HydrophobicContact CE1-CG 4.44Å; F613-L617 HydrophobicContact CE2-CD1 4.14Å; F613-L617 HydrophobicContact CZ-CD1 3.48Å; F613-L617 VanDerWaalsContact CZ-CD1 3.48Å; F613-L617 HydrophobicContact CZ-CG 4.4Å; F613-L617 WeakPolarHBondContact O-CG 3.37Å; F613-L617 PolarHBondContact O-N 3.27Å; E614-L617 PolarHBondContact O-N 3.32Å; L617-T620 PolarHBondContact O-N 3.39Å; L617-T621 PolarHBondContact O-N 3.38Å; L617-L685 HydrophobicContact CD2-CD1 4.13Å
618	C	97.6	Very high	96.5	Very high	13 Å²	13	15.2 Å²	15.2	9%	0.088	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.1	-69.3	0	0	0	0	112.3	V587 E614 L615 I616 T621 L622	V587-C618 HydrophobicContact CG1-CB 4.27Å; E614-C618 WeakPolarHBondContact O-CB 3.47Å; E614-C618 PolarHBondContact O-N 3.45Å; E614-C618 PolarHBondContact O-SG 2.76Å; L615-C618 PolarHBondContact O-N 3.19Å; I616-C618 VanDerWaalsContact C-N 3.35Å; I616-C618 PolarHBondContact O-N 3.49Å; C618-T621 VanDerWaalsContact O-CG2 3.25Å; C618-T621 WeakPolarHBondContact O-CG2 3.29Å; C618-T621 PolarHBondContact O-N 3.07Å; C618-L622 VanDerWaalsContact O-CG 3.27Å; C618-L622 WeakPolarHBondContact O-CG 3.34Å; C618-L622 PolarHBondContact O-N 2.91Å; C618-L622 VanDerWaalsContact O-N 3.09Å
619	L	97.5	Very high	96.5	Very high	13 Å²	13	13.1 Å²	13.1	7%	0.068	7%	0.066	C	C	.	.	H	α-helix	trans	-69.8	-37.3	177.6	-71.2	177.2	0	0	0	112.2	L615 I616 L622 A623 V733 L736 M737	L615-L619 HydrophobicContact CD1-CD1 3.92Å; L615-L619 HydrophobicContact CD1-CG 4.11Å; L615-L619 HydrophobicContact CG-CD1 4.04Å; L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 WeakPolarHBondContact O-CG 3.49Å; L615-L619 PolarHBondContact O-N 3.25Å; I616-L619 PolarHBondContact O-N 3.32Å; L619-L622 PolarHBondContact O-N 2.95Å; L619-A623 WeakPolarHBondContact O-CB 3.47Å; L619-A623 PolarHBondContact O-N 3.49Å; L619-V733 HydrophobicContact CD1-CB 4.42Å; L619-V733 HydrophobicContact CD1-CG1 3.59Å; L619-L736 HydrophobicContact CB-CB 4.06Å; L619-L736 HydrophobicContact CB-CD1 3.97Å; L619-M737 HydrophobicContact CD1-CG 4.24Å; L619-M737 HydrophobicContact CD1-SD 4.43Å; L619-M737 HydrophobicContact CD2-CG 4.17Å; L619-M737 HydrophobicContact CD2-SD 3.38Å; L619-M737 WeakPolarHBondContact CD2-SD 3.45Å
620	T	97.9	Very high	96.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-45.2	173.6	-69.1	0	0	0	0	111.2	T538 V541 I542 I616 L617 L622 A623 A624 I677 S681	T538-T620 HydrophobicContact CG2-CG2 4.36Å; V541-T620 HydrophobicContact CG1-CG2 4.05Å; I542-T620 HydrophobicContact CD1-CG2 3.9Å; I542-T620 HydrophobicContact CG1-CG2 3.61Å; I616-T620 VanDerWaalsContact O-CB 3.27Å; I616-T620 WeakPolarHBondContact O-CB 3.18Å; I616-T620 PolarHBondContact O-N 3.37Å; I616-T620 PolarHBondContact O-OG1 2.9Å; L617-T620 PolarHBondContact O-N 3.39Å; T620-L622 PolarHBondContact O-N 2.88Å; T620-A623 PolarHBondContact O-N 3.12Å; T620-A624 WeakPolarHBondContact O-CB 3.45Å; T620-A624 PolarHBondContact O-N 3.06Å; T620-I677 HydrophobicContact CG2-CG2 3.84Å; T620-S681 VanDerWaalsContact OG1-CB 3.26Å; T620-S681 WeakPolarHBondContact OG1-CB 3.3Å; T620-S681 PolarHBondContact OG1-OG 3.4Å; T620-S681 VanDerWaalsContact OG1-OG 3.11Å
621	T	96.9	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-41.3	177.2	-151.5	0	0	0	0	112	N545 K586 V587 I590 L617 C618 A624 A625	N545-T621 PolarHBondContact ND2-O 3.22Å; N545-T621 PolarHBondContact ND2-OG1 3.11Å; K586-T621 HydrophobicContact CB-CG2 4.13Å; V587-T621 HydrophobicContact CG2-CG2 3.98Å; I590-T621 HydrophobicContact CD1-CG2 3.6Å; L617-T621 PolarHBondContact O-N 3.38Å; C618-T621 VanDerWaalsContact O-CG2 3.25Å; C618-T621 WeakPolarHBondContact O-CG2 3.29Å; C618-T621 PolarHBondContact O-N 3.07Å; T621-A624 PolarHBondContact O-N 3.38Å; T621-A625 VanDerWaalsContact O-CB 3.29Å; T621-A625 WeakPolarHBondContact O-CB 3.46Å; T621-A625 PolarHBondContact O-N 3.11Å
622	L	97.1	Very high	96.4	Very high	27 Å²	27	9.7 Å²	9.7	14%	0.141	5%	0.049	C	C	.	.	H	α-helix	trans	-69.4	-38.9	-179.4	-70.2	170.4	0	0	0	111.9	I582 I583 V587 C618 L619 T620 A625 A626 M740	I582-L622 HydrophobicContact CG2-CD2 4Å; I583-L622 HydrophobicContact CG1-CD2 4.38Å; V587-L622 HydrophobicContact CG2-CD1 4.17Å; V587-L622 HydrophobicContact CG2-CD2 3.78Å; V587-L622 HydrophobicContact CG2-CG 3.92Å; C618-L622 VanDerWaalsContact O-CG 3.27Å; C618-L622 WeakPolarHBondContact O-CG 3.34Å; C618-L622 PolarHBondContact O-N 2.91Å; C618-L622 VanDerWaalsContact O-N 3.09Å; L619-L622 PolarHBondContact O-N 2.95Å; T620-L622 PolarHBondContact O-N 2.88Å; L622-A625 PolarHBondContact O-N 3.36Å; L622-A626 WeakPolarHBondContact O-CB 3.42Å; L622-A626 PolarHBondContact O-N 3.37Å; L622-M740 HydrophobicContact CB-CG 4.29Å; L622-M740 HydrophobicContact CB-SD 3.58Å; L622-M740 VanDerWaalsContact CB-SD 3.58Å; L622-M740 HydrophobicContact CD1-SD 4.23Å
623	A	97.3	Very high	96.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-44.6	173.5	0	0	0	0	0	111.5	L619 T620 A626 I627 I677 I739 M740	L619-A623 WeakPolarHBondContact O-CB 3.47Å; L619-A623 PolarHBondContact O-N 3.49Å; T620-A623 PolarHBondContact O-N 3.12Å; A623-A626 WeakPolarHBondContact O-CB 3.41Å; A623-A626 PolarHBondContact O-N 3.3Å; A623-I627 PolarHBondContact O-N 3.49Å; A623-I677 HydrophobicContact CB-CD1 3.78Å; A623-I677 HydrophobicContact CB-CG1 4.22Å; A623-I677 HydrophobicContact CB-CG2 4.34Å; A623-I739 HydrophobicContact CB-CG2 4.4Å; A623-M740 HydrophobicContact CB-CB 4.1Å
624	A	97.2	Very high	96	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.8	-46	175.1	0	0	0	0	0	111.3	I542 N545 T620 T621 A626 I627 A628 Y649 I677	I542-A624 HydrophobicContact CB-CB 4.39Å; I542-A624 HydrophobicContact CG1-CB 4.25Å; I542-A624 HydrophobicContact CG2-CB 4.18Å; N545-A624 HydrophobicContact CB-CB 4.1Å; T620-A624 WeakPolarHBondContact O-CB 3.45Å; T620-A624 PolarHBondContact O-N 3.06Å; T621-A624 PolarHBondContact O-N 3.38Å; A624-A626 VanDerWaalsContact C-N 3.28Å; A624-A626 PolarHBondContact O-N 3.19Å; A624-I627 PolarHBondContact O-N 3.19Å; A624-A628 PolarHBondContact O-N 3.09Å; A624-Y649 HydrophobicContact CB-CE1 4.44Å; A624-Y649 PolarHBondContact O-OH 3.11Å; A624-I677 HydrophobicContact CB-CD1 4.45Å
625	A	95.9	Very high	95.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.4	-39.5	175.1	0	0	0	0	0	112.3	N545 I582 T621 L622 A628 L629	N545-A625 WeakPolarHBondContact OD1-CB 3.45Å; I582-A625 HydrophobicContact CD1-CB 4.4Å; I582-A625 HydrophobicContact CG2-CB 3.82Å; T621-A625 VanDerWaalsContact O-CB 3.29Å; T621-A625 WeakPolarHBondContact O-CB 3.46Å; T621-A625 PolarHBondContact O-N 3.11Å; L622-A625 PolarHBondContact O-N 3.36Å; A625-A628 PolarHBondContact O-N 3.46Å; A625-L629 WeakPolarHBondContact O-CB 3.41Å; A625-L629 WeakPolarHBondContact O-CG 3.38Å; A625-L629 PolarHBondContact O-N 3.35Å
626	A	96.4	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-42.8	177.4	0	0	0	0	0	112.3	L622 A623 A624 F630 M740 F743 Y744	L622-A626 WeakPolarHBondContact O-CB 3.42Å; L622-A626 PolarHBondContact O-N 3.37Å; A623-A626 WeakPolarHBondContact O-CB 3.41Å; A623-A626 PolarHBondContact O-N 3.3Å; A624-A626 VanDerWaalsContact C-N 3.28Å; A624-A626 PolarHBondContact O-N 3.19Å; A626-F630 WeakPolarHBondContact O-CB 3.35Å; A626-F630 PolarHBondContact O-N 3.3Å; A626-M740 HydrophobicContact CB-CG 4.4Å; A626-F743 HydrophobicContact CB-CB 3.82Å; A626-Y744 HydrophobicContact CB-CD1 3.63Å; A626-Y744 HydrophobicContact CB-CD2 4.15Å; A626-Y744 HydrophobicContact CB-CE1 3.54Å; A626-Y744 HydrophobicContact CB-CE2 4.09Å; A626-Y744 HydrophobicContact CB-CG 3.93Å
627	I	96.6	Very high	94.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-49.6	174.2	-59.2	179	0	0	0	110.1	A623 A624 L629 F630 I631 I645 I648 M652 I677 F743	A623-I627 PolarHBondContact O-N 3.49Å; A624-I627 PolarHBondContact O-N 3.19Å; I627-L629 VanDerWaalsContact C-N 3.31Å; I627-L629 PolarHBondContact O-N 3.12Å; I627-F630 WeakPolarHBondContact O-CB 3.32Å; I627-F630 PolarHBondContact O-N 3.41Å; I627-F630 VanDerWaalsContact O-N 3.1Å; I627-I631 HydrophobicContact CG2-CG1 4.49Å; I627-I631 WeakPolarHBondContact O-CG1 3.2Å; I627-I631 PolarHBondContact O-N 2.66Å; I627-I645 HydrophobicContact CB-CD1 4.24Å; I627-I645 HydrophobicContact CG2-CD1 3.47Å; I627-I645 VanDerWaalsContact CG2-CD1 3.47Å; I627-I648 HydrophobicContact CG2-CG2 4.37Å; I627-M652 HydrophobicContact CD1-CE 3.78Å; I627-M652 HydrophobicContact CD1-SD 4.1Å; I627-I677 HydrophobicContact CD1-CD1 3.46Å; I627-I677 VanDerWaalsContact CD1-CD1 3.46Å; I627-I677 HydrophobicContact CD1-CG1 4.39Å; I627-I677 HydrophobicContact CG1-CD1 4.37Å; I627-F743 HydrophobicContact CD1-CD2 4.23Å; I627-F743 HydrophobicContact CD1-CE2 3.98Å; I627-F743 HydrophobicContact CD1-CZ 4.34Å; I627-F743 HydrophobicContact CG1-CB 4.38Å; I627-F743 HydrophobicContact CG1-CD1 4.05Å; I627-F743 HydrophobicContact CG1-CD2 3.57Å; I627-F743 HydrophobicContact CG1-CE1 4.21Å; I627-F743 HydrophobicContact CG1-CE2 3.74Å; I627-F743 HydrophobicContact CG1-CG 3.73Å; I627-F743 HydrophobicContact CG1-CZ 4.06Å; I627-F743 HydrophobicContact CG2-CE1 4.45Å
628	A	95.7	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-42.5	-180	0	0	0	0	0	112.1	N545 T548 I549 A624 A625 I631 S632	N545-A628 WeakPolarHBondContact O-CB 3.23Å; T548-A628 HydrophobicContact CG2-CB 4.27Å; I549-A628 HydrophobicContact CG1-CB 4.42Å; A624-A628 PolarHBondContact O-N 3.09Å; A625-A628 PolarHBondContact O-N 3.46Å; A628-I631 PolarHBondContact O-N 3.1Å; A628-S632 VanDerWaalsContact O-CB 3.27Å; A628-S632 WeakPolarHBondContact O-CB 3.44Å; A628-S632 PolarHBondContact O-N 3.45Å
629	L	93.6	Very high	94.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-39.5	174.7	-76.4	-167.5	0	0	0	113.3	T548 L551 F552 V578 I582 A625 I627 I631 S632 A633 Y744	T548-L629 HydrophobicContact CG2-CD2 3.48Å; T548-L629 VanDerWaalsContact CG2-CD2 3.48Å; T548-L629 HydrophobicContact CG2-CG 3.97Å; L551-L629 HydrophobicContact CD2-CD2 3.94Å; F552-L629 HydrophobicContact CD2-CB 4.35Å; F552-L629 HydrophobicContact CD2-CD2 3.69Å; F552-L629 HydrophobicContact CD2-CG 4.46Å; F552-L629 HydrophobicContact CE2-CB 3.95Å; F552-L629 HydrophobicContact CE2-CD1 3.84Å; F552-L629 HydrophobicContact CE2-CD2 3.48Å; F552-L629 VanDerWaalsContact CE2-CD2 3.48Å; F552-L629 HydrophobicContact CE2-CG 3.94Å; F552-L629 HydrophobicContact CZ-CD1 4.38Å; F552-L629 HydrophobicContact CZ-CD2 4.36Å; V578-L629 HydrophobicContact CG2-CD1 4.31Å; I582-L629 HydrophobicContact CD1-CD1 3.2Å; I582-L629 HydrophobicContact CD1-CD2 3.99Å; I582-L629 HydrophobicContact CD1-CG 3.69Å; A625-L629 WeakPolarHBondContact O-CB 3.41Å; A625-L629 WeakPolarHBondContact O-CG 3.38Å; A625-L629 PolarHBondContact O-N 3.35Å; I627-L629 VanDerWaalsContact C-N 3.31Å; I627-L629 PolarHBondContact O-N 3.12Å; L629-I631 VanDerWaalsContact C-N 3.34Å; L629-S632 PolarHBondContact O-N 3.08Å; L629-A633 WeakPolarHBondContact O-CB 3.44Å; L629-A633 PolarHBondContact O-N 3.41Å; L629-Y744 HydrophobicContact CD1-CD1 4.43Å; L629-Y744 HydrophobicContact CD1-CE1 3.87Å
630	F	95.3	Very high	94.2	Very high	47 Å²	47	26.5 Å²	26.5	21%	0.206	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-43.7	176.9	168.7	-110.7	0	0	0	111.3	A626 I627 A633 S634 F743 L746 C747	A626-F630 WeakPolarHBondContact O-CB 3.35Å; A626-F630 PolarHBondContact O-N 3.3Å; I627-F630 WeakPolarHBondContact O-CB 3.32Å; I627-F630 PolarHBondContact O-N 3.41Å; I627-F630 VanDerWaalsContact O-N 3.1Å; F630-A633 PolarHBondContact O-N 3.08Å; F630-S634 WeakPolarHBondContact O-CB 3.27Å; F630-S634 PolarHBondContact O-N 3.43Å; F630-S634 PolarHBondContact O-OG 2.72Å; F630-F743 HydrophobicContact CB-CD1 4.09Å; F630-F743 AromaticContact CD1-CD1 3.85Å; F630-F743 HydrophobicContact CD1-CD1 3.85Å; F630-F743 AromaticContact CD1-CE1 3.97Å; F630-F743 HydrophobicContact CD1-CE1 3.97Å; F630-F743 HydrophobicContact CE1-CE1 4.44Å; F630-F743 HydrophobicContact CG-CD1 4.09Å; F630-L746 HydrophobicContact CD2-CB 3.67Å; F630-L746 HydrophobicContact CE2-CB 3.77Å; F630-L746 HydrophobicContact CG-CB 4.35Å; F630-C747 HydrophobicContact CB-CB 4.18Å
631	I	95	Very high	94	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-45.1	175.3	-60.1	-55.5	0	0	0	110.7	I627 A628 L629 A633 S634 V635 A641 I644 I645 I648	I627-I631 HydrophobicContact CG2-CG1 4.49Å; I627-I631 WeakPolarHBondContact O-CG1 3.2Å; I627-I631 PolarHBondContact O-N 2.66Å; A628-I631 PolarHBondContact O-N 3.1Å; L629-I631 VanDerWaalsContact C-N 3.34Å; I631-A633 VanDerWaalsContact C-N 3.3Å; I631-A633 PolarHBondContact O-N 3.04Å; I631-S634 PolarHBondContact O-N 3.37Å; I631-V635 HydrophobicContact CG2-CG2 4.3Å; I631-V635 PolarHBondContact O-N 3.09Å; I631-A641 HydrophobicContact CG2-CB 4.03Å; I631-I644 HydrophobicContact CD1-CG2 4.02Å; I631-I644 HydrophobicContact CG2-CG2 4.34Å; I631-I645 HydrophobicContact CG1-CD1 4.31Å; I631-I648 HydrophobicContact CD1-CD1 4.14Å; I631-I648 HydrophobicContact CG1-CD1 4.48Å
632	S	93.1	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-39.5	176	-173.5	0	0	0	0	112.9	I549 F552 A628 L629 V635	I549-S632 WeakPolarHBondContact O-CB 3.38Å; I549-S632 PolarHBondContact O-OG 3.12Å; F552-S632 WeakPolarHBondContact CB-OG 3.34Å; F552-S632 PolarHBondContact N-OG 3.11Å; A628-S632 VanDerWaalsContact O-CB 3.27Å; A628-S632 WeakPolarHBondContact O-CB 3.44Å; A628-S632 PolarHBondContact O-N 3.45Å; L629-S632 PolarHBondContact O-N 3.08Å; S632-V635 VanDerWaalsContact O-O 3.1Å
633	A	91.6	Very high	93.8	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-73.6	-27.1	175.5	0	0	0	0	0	113.1	R556 L629 F630 I631 R750 L751	R556-A633 PolarHBondContact NH2-O 2.95Å; R556-A633 VanDerWaalsContact NH2-O 3.08Å; L629-A633 WeakPolarHBondContact O-CB 3.44Å; L629-A633 PolarHBondContact O-N 3.41Å; F630-A633 PolarHBondContact O-N 3.08Å; I631-A633 VanDerWaalsContact C-N 3.3Å; I631-A633 PolarHBondContact O-N 3.04Å; A633-R750 HydrophobicContact CB-CB 4.5Å; A633-R750 HydrophobicContact CB-CG 4.25Å; A633-L751 HydrophobicContact CB-CD2 4.1Å; A633-L751 HydrophobicContact CB-CG 4.21Å
634	S	91.9	Very high	93.7	Very high	35 Å²	35	32.8 Å²	32.8	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-84.5	-37.8	-174.8	-63.1	0	0	0	0	113	F630 I631	F630-S634 WeakPolarHBondContact O-CB 3.27Å; F630-S634 PolarHBondContact O-N 3.43Å; F630-S634 PolarHBondContact O-OG 2.72Å; I631-S634 PolarHBondContact O-N 3.37Å
635	V	91.6	Very high	93.6	Very high	23 Å²	23	32.8 Å²	32.8	14%	0.139	20%	0.196	C	C	.	.			trans	-103	153.3	-175.4	-176.2	0	0	0	0	110.3	R556 I631 S632 V637 L640 A641 I644	R556-V635 PolarHBondContact NH1-O 3.47Å; I631-V635 HydrophobicContact CG2-CG2 4.3Å; I631-V635 PolarHBondContact O-N 3.09Å; S632-V635 VanDerWaalsContact O-O 3.1Å; V635-V637 WeakPolarHBondContact CG1-O 3.26Å; V635-L640 HydrophobicContact CG1-CB 4.16Å; V635-L640 HydrophobicContact CG1-CD2 4.01Å; V635-L640 HydrophobicContact CG1-CG 4.12Å; V635-A641 HydrophobicContact CB-CB 4.11Å; V635-A641 HydrophobicContact CG1-CB 4.1Å; V635-I644 HydrophobicContact CG2-CD1 4.19Å
636	T	86.6	Confident	93.6	Very high	94 Å²	94	34.4 Å²	34.4	58%	0.577	21%	0.207	S	C	*	.	S	Bend	trans	-102.2	-29	176.9	49.6	0	0	0	0	112.9	R556	R556-T636 VanDerWaalsContact NH1-CA 3.33Å
637	V	91.1	Very high	93.6	Very high	86 Å²	86	40 Å²	40	52%	0.521	24%	0.236	S	C	.	.			trans	-98.5	126.9	-175	-175.6	0	0	0	0	110.4	V635 L640 A641	V635-V637 WeakPolarHBondContact CG1-O 3.26Å; V637-L640 HydrophobicContact CB-CB 4.31Å; V637-A641 PolarHBondContact O-N 3.05Å; V637-A641 VanDerWaalsContact O-N 3.11Å
638	F	90.4	Very high	93.5	Very high	85 Å²	85	42.3 Å²	42.3	37%	0.373	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-50.3	-178.7	173.4	-105.4	0	0	0	113	I549 E550 I553 L640 A641 N642	I549-F638 HydrophobicContact CB-CE2 4.49Å; I549-F638 HydrophobicContact CG2-CD2 4.14Å; I549-F638 HydrophobicContact CG2-CE2 4.3Å; E550-F638 HydrophobicContact CG-CD2 3.66Å; E550-F638 HydrophobicContact CG-CE2 3.33Å; E550-F638 HydrophobicContact CG-CZ 4.17Å; E550-F638 WeakPolarHBondContact OE1-CE2 3.27Å; E550-F638 WeakPolarHBondContact OE1-CZ 3.35Å; I553-F638 HydrophobicContact CD1-CB 4.4Å; F638-L640 VanDerWaalsContact C-N 3.32Å; F638-L640 PolarHBondContact O-N 3.07Å; F638-A641 WeakPolarHBondContact O-CB 3.4Å; F638-A641 PolarHBondContact O-N 3.16Å; F638-A641 VanDerWaalsContact O-N 3.11Å; F638-N642 HydrophobicContact CZ-CB 4.48Å; F638-N642 PolarHBondContact O-N 3.44Å
639	G	93.1	Very high	93.5	Very high	46 Å²	46	42.3 Å²	42.3	47%	0.474	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-42.8	-177.7	0	0	0	0	0	113.1	N642 A643	G639-N642 PolarHBondContact O-N 2.98Å; G639-A643 PolarHBondContact O-N 3.13Å; G639-A643 VanDerWaalsContact O-N 3.09Å
640	L	94.1	Very high	93.6	Very high	97 Å²	97	46.3 Å²	46.3	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-43.7	176.1	179.9	60.2	0	0	0	111.9	V635 V637 F638 N642 A643 I644	V635-L640 HydrophobicContact CG1-CB 4.16Å; V635-L640 HydrophobicContact CG1-CD2 4.01Å; V635-L640 HydrophobicContact CG1-CG 4.12Å; V637-L640 HydrophobicContact CB-CB 4.31Å; F638-L640 VanDerWaalsContact C-N 3.32Å; F638-L640 PolarHBondContact O-N 3.07Å; L640-N642 VanDerWaalsContact C-N 3.34Å; L640-N642 PolarHBondContact O-N 3.45Å; L640-A643 PolarHBondContact O-N 3.28Å; L640-I644 HydrophobicContact CD1-CD1 3.98Å; L640-I644 HydrophobicContact CD1-CG1 4.3Å; L640-I644 HydrophobicContact CG-CD1 3.91Å; L640-I644 VanDerWaalsContact O-CG1 3.32Å; L640-I644 WeakPolarHBondContact O-CG1 3.38Å; L640-I644 PolarHBondContact O-N 3.38Å; L640-I644 VanDerWaalsContact O-N 3.09Å
641	A	94.4	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-43.3	177.9	0	0	0	0	0	111.8	I549 I553 I631 V635 V637 F638 I644 I645	I549-A641 HydrophobicContact CG2-CB 3.52Å; I553-A641 HydrophobicContact CD1-CB 3.97Å; I631-A641 HydrophobicContact CG2-CB 4.03Å; V635-A641 HydrophobicContact CB-CB 4.11Å; V635-A641 HydrophobicContact CG1-CB 4.1Å; V637-A641 PolarHBondContact O-N 3.05Å; V637-A641 VanDerWaalsContact O-N 3.11Å; F638-A641 WeakPolarHBondContact O-CB 3.4Å; F638-A641 PolarHBondContact O-N 3.16Å; F638-A641 VanDerWaalsContact O-N 3.11Å; A641-I644 PolarHBondContact O-N 3.24Å; A641-I645 WeakPolarHBondContact O-CG2 3.41Å; A641-I645 PolarHBondContact O-N 3.29Å; A641-I645 VanDerWaalsContact O-N 3.12Å
642	N	93.7	Very high	93.4	Very high	54 Å²	54	49.7 Å²	49.7	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-37.7	178.2	-169.7	52.1	0	0	0	113.4	I549 F638 G639 L640 I645 S646	I549-N642 HydrophobicContact CD1-CB 4.29Å; F638-N642 HydrophobicContact CZ-CB 4.48Å; F638-N642 PolarHBondContact O-N 3.44Å; G639-N642 PolarHBondContact O-N 2.98Å; L640-N642 VanDerWaalsContact C-N 3.34Å; L640-N642 PolarHBondContact O-N 3.45Å; N642-I645 WeakPolarHBondContact O-CG2 3.31Å; N642-S646 VanDerWaalsContact O-CB 3.26Å; N642-S646 WeakPolarHBondContact O-CB 3.07Å; N642-S646 PolarHBondContact O-N 2.93Å; N642-S646 VanDerWaalsContact O-N 3.14Å; N642-S646 PolarHBondContact O-OG 3.03Å
643	A	95.4	Very high	93.4	Very high	48 Å²	48	51.6 Å²	51.6	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-47.8	173.7	0	0	0	0	0	111.6	G639 L640 S646 I647	G639-A643 PolarHBondContact O-N 3.13Å; G639-A643 VanDerWaalsContact O-N 3.09Å; L640-A643 PolarHBondContact O-N 3.28Å; A643-S646 PolarHBondContact O-N 3.49Å; A643-I647 VanDerWaalsContact O-CG1 3.31Å; A643-I647 WeakPolarHBondContact O-CG1 3.26Å; A643-I647 PolarHBondContact O-N 2.9Å; A643-I647 VanDerWaalsContact O-N 3.07Å
644	I	95.9	Very high	93.3	Very high	57 Å²	57	52.9 Å²	52.9	29%	0.292	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-51.6	-177.1	-70.1	167.3	0	0	0	111.4	I631 V635 L640 A641 S646 I647 I648	I631-I644 HydrophobicContact CD1-CG2 4.02Å; I631-I644 HydrophobicContact CG2-CG2 4.34Å; V635-I644 HydrophobicContact CG2-CD1 4.19Å; L640-I644 HydrophobicContact CD1-CD1 3.98Å; L640-I644 HydrophobicContact CD1-CG1 4.3Å; L640-I644 HydrophobicContact CG-CD1 3.91Å; L640-I644 VanDerWaalsContact O-CG1 3.32Å; L640-I644 WeakPolarHBondContact O-CG1 3.38Å; L640-I644 PolarHBondContact O-N 3.38Å; L640-I644 VanDerWaalsContact O-N 3.09Å; A641-I644 PolarHBondContact O-N 3.24Å; I644-S646 PolarHBondContact O-N 2.88Å; I644-I647 PolarHBondContact O-N 3.04Å; I644-I648 HydrophobicContact CG2-CD1 3.84Å; I644-I648 WeakPolarHBondContact O-CG1 3.22Å; I644-I648 PolarHBondContact O-N 2.78Å
645	I	95.3	Very high	93.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-34.9	-178.3	-174.3	67.9	0	0	0	112.7	L546 I549 I627 I631 A641 N642 I647 I648 Y649	L546-I645 HydrophobicContact CD2-CG1 4.16Å; L546-I645 HydrophobicContact CD2-CG2 3.68Å; I549-I645 HydrophobicContact CD1-CB 4.39Å; I549-I645 HydrophobicContact CD1-CG2 3.24Å; I549-I645 HydrophobicContact CG1-CG2 4.04Å; I627-I645 HydrophobicContact CB-CD1 4.24Å; I627-I645 HydrophobicContact CG2-CD1 3.47Å; I627-I645 VanDerWaalsContact CG2-CD1 3.47Å; I631-I645 HydrophobicContact CG1-CD1 4.31Å; A641-I645 WeakPolarHBondContact O-CG2 3.41Å; A641-I645 PolarHBondContact O-N 3.29Å; A641-I645 VanDerWaalsContact O-N 3.12Å; N642-I645 WeakPolarHBondContact O-CG2 3.31Å; I645-I647 VanDerWaalsContact C-N 3.34Å; I645-I647 PolarHBondContact O-N 3.41Å; I645-I648 PolarHBondContact O-N 3.23Å; I645-Y649 HydrophobicContact CD1-CD1 4.11Å; I645-Y649 HydrophobicContact CD1-CE1 3.56Å; I645-Y649 HydrophobicContact CD1-CE2 4.19Å; I645-Y649 HydrophobicContact CG1-CD1 4.49Å; I645-Y649 HydrophobicContact CG1-CD2 4.23Å; I645-Y649 HydrophobicContact CG1-CE1 4.12Å; I645-Y649 HydrophobicContact CG1-CE2 3.84Å; I645-Y649 PolarHBondContact O-N 3.43Å
646	S	95.2	Very high	93.1	Very high	33 Å²	33	51 Å²	51	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-43.6	173.7	-62.5	0	0	0	0	111.1	N642 A643 I644 Y649 V650	N642-S646 VanDerWaalsContact O-CB 3.26Å; N642-S646 WeakPolarHBondContact O-CB 3.07Å; N642-S646 PolarHBondContact O-N 2.93Å; N642-S646 VanDerWaalsContact O-N 3.14Å; N642-S646 PolarHBondContact O-OG 3.03Å; A643-S646 PolarHBondContact O-N 3.49Å; I644-S646 PolarHBondContact O-N 2.88Å; S646-Y649 PolarHBondContact O-N 3.19Å; S646-V650 WeakPolarHBondContact O-CB 3.25Å; S646-V650 VanDerWaalsContact O-CG2 3.24Å; S646-V650 WeakPolarHBondContact O-CG2 3.29Å; S646-V650 PolarHBondContact O-N 3.24Å
647	I	95.6	Very high	93	Very high	119 Å²	119	47 Å²	47	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-61.7	-45.1	175	-67.4	164.9	0	0	0	110.7	A643 I644 I645 Y649 V650 F651	A643-I647 VanDerWaalsContact O-CG1 3.31Å; A643-I647 WeakPolarHBondContact O-CG1 3.26Å; A643-I647 PolarHBondContact O-N 2.9Å; A643-I647 VanDerWaalsContact O-N 3.07Å; I644-I647 PolarHBondContact O-N 3.04Å; I645-I647 VanDerWaalsContact C-N 3.34Å; I645-I647 PolarHBondContact O-N 3.41Å; I647-Y649 PolarHBondContact O-N 2.82Å; I647-V650 PolarHBondContact O-N 2.96Å; I647-F651 VanDerWaalsContact O-CB 3.27Å; I647-F651 WeakPolarHBondContact O-CB 3.39Å; I647-F651 PolarHBondContact O-N 2.84Å
648	I	95.3	Very high	92.7	Very high	49 Å²	49	46.2 Å²	46.2	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-46.8	177.9	-68.7	167.8	0	0	0	110.8	I627 I631 I644 I645 F651 M652	I627-I648 HydrophobicContact CG2-CG2 4.37Å; I631-I648 HydrophobicContact CD1-CD1 4.14Å; I631-I648 HydrophobicContact CG1-CD1 4.48Å; I644-I648 HydrophobicContact CG2-CD1 3.84Å; I644-I648 WeakPolarHBondContact O-CG1 3.22Å; I644-I648 PolarHBondContact O-N 2.78Å; I645-I648 PolarHBondContact O-N 3.23Å; I648-F651 PolarHBondContact O-N 3.19Å; I648-M652 HydrophobicContact CG2-CE 3.7Å; I648-M652 HydrophobicContact CG2-SD 4.07Å; I648-M652 WeakPolarHBondContact O-CG 3.16Å; I648-M652 PolarHBondContact O-N 3.21Å
649	Y	96	Very high	92.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-43.4	-180	-72.4	-10.3	0	0	0	113	I542 L546 A624 I645 S646 I647 F651 M652 M653	I542-Y649 HydrophobicContact CG2-CD1 3.84Å; I542-Y649 HydrophobicContact CG2-CD2 3.72Å; I542-Y649 HydrophobicContact CG2-CE1 3.94Å; I542-Y649 HydrophobicContact CG2-CE2 3.83Å; I542-Y649 HydrophobicContact CG2-CG 3.72Å; I542-Y649 WeakPolarHBondContact O-CE2 3.32Å; L546-Y649 HydrophobicContact CD2-CD2 4.05Å; L546-Y649 HydrophobicContact CD2-CE2 4.03Å; L546-Y649 HydrophobicContact CG-CE2 4.45Å; A624-Y649 HydrophobicContact CB-CE1 4.44Å; A624-Y649 PolarHBondContact O-OH 3.11Å; I645-Y649 HydrophobicContact CD1-CD1 4.11Å; I645-Y649 HydrophobicContact CD1-CE1 3.56Å; I645-Y649 HydrophobicContact CD1-CE2 4.19Å; I645-Y649 HydrophobicContact CG1-CD1 4.49Å; I645-Y649 HydrophobicContact CG1-CD2 4.23Å; I645-Y649 HydrophobicContact CG1-CE1 4.12Å; I645-Y649 HydrophobicContact CG1-CE2 3.84Å; I645-Y649 PolarHBondContact O-N 3.43Å; S646-Y649 PolarHBondContact O-N 3.19Å; I647-Y649 PolarHBondContact O-N 2.82Å; Y649-F651 VanDerWaalsContact C-N 3.29Å; Y649-F651 PolarHBondContact O-N 2.85Å; Y649-M652 PolarHBondContact O-N 3.4Å; Y649-M653 VanDerWaalsContact O-CB 3.27Å; Y649-M653 WeakPolarHBondContact O-CB 3.34Å; Y649-M653 PolarHBondContact O-N 3.06Å
650	V	94.3	Very high	91.9	Very high	84 Å²	84	48.1 Å²	48.1	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-40.9	175.5	170.3	0	0	0	0	110.7	F543 S646 I647 M653 A654	F543-V650 HydrophobicContact CZ-CG2 4.23Å; S646-V650 WeakPolarHBondContact O-CB 3.25Å; S646-V650 VanDerWaalsContact O-CG2 3.24Å; S646-V650 WeakPolarHBondContact O-CG2 3.29Å; S646-V650 PolarHBondContact O-N 3.24Å; I647-V650 PolarHBondContact O-N 2.96Å; V650-M653 WeakPolarHBondContact O-CB 3.3Å; V650-M653 PolarHBondContact O-N 3.38Å; V650-A654 PolarHBondContact O-N 3.18Å; V650-A654 VanDerWaalsContact O-N 3.16Å
651	F	92	Very high	91.1	Very high	110 Å²	110	46.6 Å²	46.6	48%	0.482	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-48.3	176	-166.9	-101.5	0	0	0	111.3	I647 I648 Y649 M653 A654 F655 L672	I647-F651 VanDerWaalsContact O-CB 3.27Å; I647-F651 WeakPolarHBondContact O-CB 3.39Å; I647-F651 PolarHBondContact O-N 2.84Å; I648-F651 PolarHBondContact O-N 3.19Å; Y649-F651 VanDerWaalsContact C-N 3.29Å; Y649-F651 PolarHBondContact O-N 2.85Å; F651-M653 VanDerWaalsContact C-N 3.28Å; F651-M653 PolarHBondContact O-N 3.46Å; F651-A654 WeakPolarHBondContact O-CB 3.4Å; F651-A654 PolarHBondContact O-N 3.03Å; F651-F655 HydrophobicContact CD1-CD2 4.16Å; F651-F655 AromaticContact CD1-CE2 3.78Å; F651-F655 HydrophobicContact CD1-CE2 3.78Å; F651-F655 HydrophobicContact CD2-CE2 4.11Å; F651-F655 HydrophobicContact CE1-CD2 4.07Å; F651-F655 AromaticContact CE1-CE2 3.39Å; F651-F655 HydrophobicContact CE1-CE2 3.39Å; F651-F655 HydrophobicContact CE1-CZ 4.21Å; F651-F655 AromaticContact CE2-CE2 3.76Å; F651-F655 HydrophobicContact CE2-CE2 3.76Å; F651-F655 HydrophobicContact CE2-CZ 4.29Å; F651-F655 HydrophobicContact CG-CE2 4.14Å; F651-F655 HydrophobicContact CZ-CD2 4.48Å; F651-F655 AromaticContact CZ-CE2 3.41Å; F651-F655 HydrophobicContact CZ-CE2 3.41Å; F651-F655 VanDerWaalsContact CZ-CE2 3.41Å; F651-F655 AromaticContact CZ-CZ 3.88Å; F651-F655 HydrophobicContact CZ-CZ 3.88Å; F651-F655 WeakPolarHBondContact O-CD2 3.3Å; F651-L672 HydrophobicContact CE1-CD1 3.9Å; F651-L672 HydrophobicContact CE1-CD2 4.07Å; F651-L672 HydrophobicContact CE1-CG 4.43Å; F651-L672 HydrophobicContact CZ-CD1 3.66Å
652	M	94.4	Very high	90.1	Very high	21 Å²	21	46.9 Å²	46.9	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-36.8	175.9	-71.3	179.7	177.7	0	0	112.6	I627 I648 Y649 A654 F655 F675 S676 I677 F678	I627-M652 HydrophobicContact CD1-CE 3.78Å; I627-M652 HydrophobicContact CD1-SD 4.1Å; I648-M652 HydrophobicContact CG2-CE 3.7Å; I648-M652 HydrophobicContact CG2-SD 4.07Å; I648-M652 WeakPolarHBondContact O-CG 3.16Å; I648-M652 PolarHBondContact O-N 3.21Å; Y649-M652 PolarHBondContact O-N 3.4Å; M652-A654 VanDerWaalsContact C-N 3.34Å; M652-A654 PolarHBondContact O-N 2.93Å; M652-F655 PolarHBondContact O-N 3.44Å; M652-F675 WeakPolarHBondContact CE-O 3.5Å; M652-S676 PolarHBondContact O-OG 3.25Å; M652-I677 HydrophobicContact SD-CD1 4.43Å; M652-I677 HydrophobicContact SD-CG1 4.27Å; M652-F678 HydrophobicContact CB-CD2 3.96Å; M652-F678 HydrophobicContact CB-CE2 4.42Å
653	M	93.6	Very high	89.3	Confident	40 Å²	40	49.3 Å²	49.3	20%	0.197	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-39.3	177.2	176.9	-177.9	165.8	0	0	112.2	Y535 L539 F543 Y649 V650 F651 F655 S656 L659 F678	Y535-M653 HydrophobicContact CE1-CE 4.24Å; Y535-M653 HydrophobicContact CE2-CG 4.4Å; Y535-M653 WeakPolarHBondContact OH-CE 3.48Å; Y535-M653 WeakPolarHBondContact OH-CG 3.32Å; L539-M653 HydrophobicContact CD1-CE 3.59Å; L539-M653 HydrophobicContact CD1-SD 4.02Å; F543-M653 HydrophobicContact CE2-SD 4.19Å; F543-M653 HydrophobicContact CZ-SD 4.49Å; Y649-M653 VanDerWaalsContact O-CB 3.27Å; Y649-M653 WeakPolarHBondContact O-CB 3.34Å; Y649-M653 PolarHBondContact O-N 3.06Å; V650-M653 WeakPolarHBondContact O-CB 3.3Å; V650-M653 PolarHBondContact O-N 3.38Å; F651-M653 VanDerWaalsContact C-N 3.28Å; F651-M653 PolarHBondContact O-N 3.46Å; M653-F655 VanDerWaalsContact C-N 3.27Å; M653-F655 PolarHBondContact O-N 3.02Å; M653-S656 WeakPolarHBondContact O-CB 3.42Å; M653-S656 PolarHBondContact O-N 3.45Å; M653-S656 VanDerWaalsContact O-N 3.14Å; M653-S656 PolarHBondContact O-OG 2.93Å; M653-L659 HydrophobicContact CE-CD1 4.44Å; M653-F678 HydrophobicContact CB-CD1 4.4Å; M653-F678 HydrophobicContact CB-CD2 4.11Å; M653-F678 HydrophobicContact CB-CE1 4.08Å; M653-F678 HydrophobicContact CB-CE2 3.76Å; M653-F678 HydrophobicContact CB-CG 4.43Å; M653-F678 HydrophobicContact CB-CZ 3.75Å; M653-F678 HydrophobicContact CG-CE1 4.07Å; M653-F678 HydrophobicContact CG-CZ 4.13Å
654	A	90	Very high	88.6	Confident	30 Å²	30	51.4 Å²	51.4	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-35.5	176.9	0	0	0	0	0	112.5	V650 F651 M652 S656	V650-A654 PolarHBondContact O-N 3.18Å; V650-A654 VanDerWaalsContact O-N 3.16Å; F651-A654 WeakPolarHBondContact O-CB 3.4Å; F651-A654 PolarHBondContact O-N 3.03Å; M652-A654 VanDerWaalsContact C-N 3.34Å; M652-A654 PolarHBondContact O-N 2.93Å; A654-S656 VanDerWaalsContact C-N 3.29Å; A654-S656 PolarHBondContact O-N 3.34Å
655	F	89	Confident	87.9	Confident	16 Å²	16	50.1 Å²	50.1	7%	0.07	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	18.4	177.6	-60.2	-81.6	0	0	0	114	F651 M652 M653 G657 M665 L672	F651-F655 HydrophobicContact CD1-CD2 4.16Å; F651-F655 AromaticContact CD1-CE2 3.78Å; F651-F655 HydrophobicContact CD1-CE2 3.78Å; F651-F655 HydrophobicContact CD2-CE2 4.11Å; F651-F655 HydrophobicContact CE1-CD2 4.07Å; F651-F655 AromaticContact CE1-CE2 3.39Å; F651-F655 HydrophobicContact CE1-CE2 3.39Å; F651-F655 HydrophobicContact CE1-CZ 4.21Å; F651-F655 AromaticContact CE2-CE2 3.76Å; F651-F655 HydrophobicContact CE2-CE2 3.76Å; F651-F655 HydrophobicContact CE2-CZ 4.29Å; F651-F655 HydrophobicContact CG-CE2 4.14Å; F651-F655 HydrophobicContact CZ-CD2 4.48Å; F651-F655 AromaticContact CZ-CE2 3.41Å; F651-F655 HydrophobicContact CZ-CE2 3.41Å; F651-F655 VanDerWaalsContact CZ-CE2 3.41Å; F651-F655 AromaticContact CZ-CZ 3.88Å; F651-F655 HydrophobicContact CZ-CZ 3.88Å; F651-F655 WeakPolarHBondContact O-CD2 3.3Å; M652-F655 PolarHBondContact O-N 3.44Å; M653-F655 VanDerWaalsContact C-N 3.27Å; M653-F655 PolarHBondContact O-N 3.02Å; F655-G657 VanDerWaalsContact C-N 3.26Å; F655-G657 PolarHBondContact O-N 3.45Å; F655-M665 HydrophobicContact CD1-CE 3.51Å; F655-M665 HydrophobicContact CD1-SD 3.82Å; F655-M665 HydrophobicContact CE1-CE 3.61Å; F655-M665 HydrophobicContact CE1-SD 4Å; F655-M665 HydrophobicContact CG-CE 4.49Å; F655-L672 HydrophobicContact CD1-CB 4.18Å; F655-L672 HydrophobicContact CD2-CB 4.34Å; F655-L672 HydrophobicContact CE1-CB 4.01Å; F655-L672 HydrophobicContact CE1-CD1 4.15Å; F655-L672 HydrophobicContact CE2-CB 4.23Å; F655-L672 HydrophobicContact CE2-CD1 4.13Å; F655-L672 HydrophobicContact CG-CB 4.36Å; F655-L672 HydrophobicContact CZ-CB 4.05Å; F655-L672 HydrophobicContact CZ-CD1 3.64Å
656	S	89.6	Confident	87.4	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	178.7	58	0	0	0	0	114.3	M653 A654 F658	M653-S656 WeakPolarHBondContact O-CB 3.42Å; M653-S656 PolarHBondContact O-N 3.45Å; M653-S656 VanDerWaalsContact O-N 3.14Å; M653-S656 PolarHBondContact O-OG 2.93Å; A654-S656 VanDerWaalsContact C-N 3.29Å; A654-S656 PolarHBondContact O-N 3.34Å; S656-F658 VanDerWaalsContact C-N 3.35Å; S656-F658 PolarHBondContact OG-N 3.43Å
657	G	84	Confident	86.8	Confident	8 Å²	8	57.1 Å²	57.1	8%	0.082	31%	0.314	C	S	.	.	S	Bend	trans	89.3	-6.9	-170.5	0	0	0	0	0	114.2	F655 I660 Q719	F655-G657 VanDerWaalsContact C-N 3.26Å; F655-G657 PolarHBondContact O-N 3.45Å; G657-I660 CarbonylContact C-O 3.6Å; G657-I660 WeakPolarHBondContact CA-O 3.37Å; G657-Q719 PolarHBondContact O-OE1 2.94Å
658	F	85	Confident	86.4	Confident	71 Å²	71	60.1 Å²	60.1	31%	0.311	32%	0.318	S	S	.	.	S	Bend	trans	-85.4	-52.6	177.8	177.9	-115.8	0	0	0	112.7	T531 Y535 S656	T531-F658 HydrophobicContact CG2-CD2 3.41Å; T531-F658 VanDerWaalsContact CG2-CD2 3.41Å; T531-F658 HydrophobicContact CG2-CE2 3.77Å; T531-F658 HydrophobicContact CG2-CG 4.48Å; Y535-F658 AromaticContact CD1-CD1 3.64Å; Y535-F658 HydrophobicContact CD1-CD1 3.64Å; Y535-F658 AromaticContact CD1-CE1 3.74Å; Y535-F658 HydrophobicContact CD1-CE1 3.74Å; Y535-F658 HydrophobicContact CD2-CB 3.63Å; Y535-F658 AromaticContact CD2-CD1 3.47Å; Y535-F658 HydrophobicContact CD2-CD1 3.47Å; Y535-F658 VanDerWaalsContact CD2-CD1 3.47Å; Y535-F658 HydrophobicContact CD2-CE1 4.37Å; Y535-F658 AromaticContact CD2-CG 3.77Å; Y535-F658 HydrophobicContact CD2-CG 3.77Å; Y535-F658 AromaticContact CE1-CD1 3.86Å; Y535-F658 HydrophobicContact CE1-CD1 3.86Å; Y535-F658 HydrophobicContact CE1-CE1 4.11Å; Y535-F658 HydrophobicContact CE2-CB 3.97Å; Y535-F658 AromaticContact CE2-CD1 3.71Å; Y535-F658 HydrophobicContact CE2-CD1 3.71Å; Y535-F658 HydrophobicContact CE2-CG 4.24Å; Y535-F658 HydrophobicContact CG-CB 4.3Å; Y535-F658 AromaticContact CG-CD1 3.4Å; Y535-F658 HydrophobicContact CG-CD1 3.4Å; Y535-F658 VanDerWaalsContact CG-CD1 3.4Å; Y535-F658 AromaticContact CG-CE1 3.86Å; Y535-F658 HydrophobicContact CG-CE1 3.86Å; Y535-F658 AromaticContact CG-CG 3.93Å; Y535-F658 HydrophobicContact CG-CG 3.93Å; Y535-F658 AromaticContact CZ-CD1 3.86Å; S656-F658 VanDerWaalsContact C-N 3.35Å; S656-F658 PolarHBondContact OG-N 3.43Å
659	L	84	Confident	86	Confident	103 Å²	103	60.2 Å²	60.2	54%	0.539	32%	0.318	S	S	.	.	S	Bend	trans	-76.3	-34.3	-177.3	-67.1	177.7	0	0	0	112.7	Y535 M653	Y535-L659 VanDerWaalsContact OH-CD1 3.23Å; Y535-L659 WeakPolarHBondContact OH-CD1 3.42Å; M653-L659 HydrophobicContact CE-CD1 4.44Å
660	I	82.2	Confident	85.4	Confident	68 Å²	68	61.2 Å²	61.2	35%	0.349	33%	0.326	S	S	.	.	S	Bend	trans	-125.9	124.9	-178.4	-54.1	172.2	0	0	0	107.4	G657 L662 M665	G657-I660 CarbonylContact C-O 3.6Å; G657-I660 WeakPolarHBondContact CA-O 3.37Å; I660-L662 PolarHBondContact O-N 2.92Å; I660-M665 HydrophobicContact CB-CE 3.8Å; I660-M665 HydrophobicContact CD1-CE 3.7Å; I660-M665 HydrophobicContact CG1-CE 4.36Å; I660-M665 HydrophobicContact CG2-CE 3.5Å; I660-M665 HydrophobicContact CG2-CG 3.85Å; I660-M665 HydrophobicContact CG2-SD 4.42Å
661	N	78.7	Confident	85.2	Confident	65 Å²	65	63.8 Å²	63.8	35%	0.348	33%	0.326	S	S	.	.			trans	-68.9	119.2	173.8	-174.2	-26.3	0	0	0	109.4	K663 S664	N661-K663 PolarHBondContact O-N 3Å; N661-K663 PolarHBondContact OD1-N 3.48Å; N661-S664 PolarHBondContact O-N 3.21Å; N661-S664 PolarHBondContact O-OG 3.26Å
662	L	73.8	Confident	85	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.9	-29.4	-174.6	-67.7	165.7	0	0	0	113.2	I660 S664 M665 R673	I660-L662 PolarHBondContact O-N 2.92Å; L662-S664 PolarHBondContact O-N 2.87Å; L662-M665 HydrophobicContact CD2-SD 3.78Å; L662-M665 WeakPolarHBondContact O-CB 3.47Å; L662-M665 PolarHBondContact O-N 3.41Å; L662-R673 HydrophobicContact CD2-CB 4.12Å
663	K	76.6	Confident	84.7	Confident	106 Å²	106	60.3 Å²	60.3	46%	0.461	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-64	-27.9	176	-70.4	-173.5	179.8	177.4	0	112.6	N661 M665 E717 D718 E720	N661-K663 PolarHBondContact O-N 3Å; N661-K663 PolarHBondContact OD1-N 3.48Å; K663-M665 VanDerWaalsContact C-N 3.35Å; K663-E717 WeakPolarHBondContact CE-O 3.12Å; K663-E717 PolarHBondContact NZ-O 3.31Å; K663-D718 WeakPolarHBondContact CD-O 3.36Å; K663-D718 WeakPolarHBondContact CE-O 3.27Å; K663-D718 IonicContact NZ-OD1 3.52Å; K663-D718 PolarHBondContact NZ-OD1 3.33Å; K663-E720 HydrophobicContact CG-CG 3.94Å
664	S	80	Confident	84.5	Confident	91 Å²	91	63.4 Å²	63.4	64%	0.636	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-86.2	-7.5	-179.1	71.2	0	0	0	0	113.4	N661 L662	N661-S664 PolarHBondContact O-N 3.21Å; N661-S664 PolarHBondContact O-OG 3.26Å; L662-S664 PolarHBondContact O-N 2.87Å
665	M	82.1	Confident	84.6	Confident	31 Å²	31	68 Å²	68	15%	0.153	34%	0.335	C	S	.	.	S	Bend	trans	-76.2	142	-178.4	-72.1	-168.2	150.1	0	0	111.9	F655 I660 L662 K663 V667	F655-M665 HydrophobicContact CD1-CE 3.51Å; F655-M665 HydrophobicContact CD1-SD 3.82Å; F655-M665 HydrophobicContact CE1-CE 3.61Å; F655-M665 HydrophobicContact CE1-SD 4Å; F655-M665 HydrophobicContact CG-CE 4.49Å; I660-M665 HydrophobicContact CB-CE 3.8Å; I660-M665 HydrophobicContact CD1-CE 3.7Å; I660-M665 HydrophobicContact CG1-CE 4.36Å; I660-M665 HydrophobicContact CG2-CE 3.5Å; I660-M665 HydrophobicContact CG2-CG 3.85Å; I660-M665 HydrophobicContact CG2-SD 4.42Å; L662-M665 HydrophobicContact CD2-SD 3.78Å; L662-M665 WeakPolarHBondContact O-CB 3.47Å; L662-M665 PolarHBondContact O-N 3.41Å; K663-M665 VanDerWaalsContact C-N 3.35Å; M665-V667 PolarHBondContact O-N 3.38Å
666	A	83.4	Confident	84.9	Confident	47 Å²	47	67.2 Å²	67.2	39%	0.388	33%	0.332	S	S	.	.			trans	-58.9	135.2	172.5	0	0	0	0	0	110.8	W668 L669 S670	A666-W668 PolarHBondContact O-N 2.92Å; A666-W668 VanDerWaalsContact O-N 3.08Å; A666-L669 PolarHBondContact O-N 3.4Å; A666-S670 PolarHBondContact O-N 2.9Å
667	V	83.3	Confident	85.2	Confident	133 Å²	133	67.1 Å²	67.1	81%	0.806	33%	0.331	S	S	*	.	H	α-helix	trans	-53.8	-36.8	-173.8	-178.8	0	0	0	0	112.3	M665 L669 S670	M665-V667 PolarHBondContact O-N 3.38Å; V667-L669 VanDerWaalsContact C-N 3.27Å; V667-L669 PolarHBondContact O-N 3.21Å; V667-S670 WeakPolarHBondContact O-CB 3.31Å; V667-S670 PolarHBondContact O-N 2.66Å
668	W	88.3	Confident	85.8	Confident	182 Å²	182	66.8 Å²	66.8	69%	0.689	33%	0.328	S	S	*	.	H	α-helix	trans	-69	-18.6	179.7	74.3	-91.9	0	0	0	114.4	A666 W671	A666-W668 PolarHBondContact O-N 2.92Å; A666-W668 VanDerWaalsContact O-N 3.08Å; W668-W671 PolarHBondContact O-NE1 3.29Å
669	L	86	Confident	86.2	Confident	50 Å²	50	64.2 Å²	64.2	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-96.7	-20.5	174	-77.6	166.8	0	0	0	112.6	A666 V667 W671 L672	A666-L669 PolarHBondContact O-N 3.4Å; V667-L669 VanDerWaalsContact C-N 3.27Å; V667-L669 PolarHBondContact O-N 3.21Å; L669-W671 PolarHBondContact O-N 3.47Å; L669-W671 VanDerWaalsContact O-N 3.11Å; L669-L672 HydrophobicContact CD2-CD1 3.68Å; L669-L672 WeakPolarHBondContact O-CB 3.48Å; L669-L672 PolarHBondContact O-N 3.25Å
670	S	83.9	Confident	86.7	Confident	22 Å²	22	60.3 Å²	60.3	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-31.1	-172	-175.1	0	0	0	0	113	A666 V667 L672 R673	A666-S670 PolarHBondContact O-N 2.9Å; V667-S670 WeakPolarHBondContact O-CB 3.31Å; V667-S670 PolarHBondContact O-N 2.66Å; S670-L672 PolarHBondContact O-N 2.79Å; S670-R673 WeakPolarHBondContact O-CB 3.24Å; S670-R673 VanDerWaalsContact O-CD 3.22Å; S670-R673 WeakPolarHBondContact O-CD 3.31Å; S670-R673 WeakPolarHBondContact O-CG 3.31Å; S670-R673 PolarHBondContact O-N 3.46Å; S670-R673 PolarHBondContact OG-NE 2.88Å
671	W	88.5	Confident	87.4	Confident	138 Å²	138	57 Å²	57	52%	0.523	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-63.2	-24.1	178.8	68.3	-90.6	0	0	0	113.9	W668 L669 R673 Y674 F675	W668-W671 PolarHBondContact O-NE1 3.29Å; L669-W671 PolarHBondContact O-N 3.47Å; L669-W671 VanDerWaalsContact O-N 3.11Å; W671-R673 PolarHBondContact O-N 3Å; W671-Y674 WeakPolarHBondContact O-CD2 3.47Å; W671-Y674 PolarHBondContact O-N 3.37Å; W671-F675 AromaticContact CE3-CD2 3.86Å; W671-F675 HydrophobicContact CE3-CD2 3.86Å; W671-F675 AromaticContact CE3-CE2 3.6Å; W671-F675 HydrophobicContact CE3-CE2 3.6Å; W671-F675 AromaticContact CZ3-CD2 3.77Å; W671-F675 HydrophobicContact CZ3-CD2 3.77Å; W671-F675 AromaticContact CZ3-CE2 3.47Å; W671-F675 HydrophobicContact CZ3-CE2 3.47Å; W671-F675 VanDerWaalsContact CZ3-CE2 3.47Å; W671-F675 HydrophobicContact CZ3-CZ 4.43Å
672	L	88.4	Confident	88.1	Confident	27 Å²	27	54.1 Å²	54.1	14%	0.141	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24.7	178.4	-71	168.7	0	0	0	112.8	F651 F655 L669 S670 Y674 F675	F651-L672 HydrophobicContact CE1-CD1 3.9Å; F651-L672 HydrophobicContact CE1-CD2 4.07Å; F651-L672 HydrophobicContact CE1-CG 4.43Å; F651-L672 HydrophobicContact CZ-CD1 3.66Å; F655-L672 HydrophobicContact CD1-CB 4.18Å; F655-L672 HydrophobicContact CD2-CB 4.34Å; F655-L672 HydrophobicContact CE1-CB 4.01Å; F655-L672 HydrophobicContact CE1-CD1 4.15Å; F655-L672 HydrophobicContact CE2-CB 4.23Å; F655-L672 HydrophobicContact CE2-CD1 4.13Å; F655-L672 HydrophobicContact CG-CB 4.36Å; F655-L672 HydrophobicContact CZ-CB 4.05Å; F655-L672 HydrophobicContact CZ-CD1 3.64Å; L669-L672 HydrophobicContact CD2-CD1 3.68Å; L669-L672 WeakPolarHBondContact O-CB 3.48Å; L669-L672 PolarHBondContact O-N 3.25Å; S670-L672 PolarHBondContact O-N 2.79Å; L672-Y674 PolarHBondContact O-N 3.07Å; L672-F675 PolarHBondContact O-N 3.41Å
673	R	88	Confident	89	Confident	30 Å²	30	54 Å²	54	11%	0.113	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.8	176.3	81.3	-164.8	169.5	149.1	-12.8	112.6	L662 S670 W671 F675 S676 R679 E720	L662-R673 HydrophobicContact CD2-CB 4.12Å; S670-R673 WeakPolarHBondContact O-CB 3.24Å; S670-R673 VanDerWaalsContact O-CD 3.22Å; S670-R673 WeakPolarHBondContact O-CD 3.31Å; S670-R673 WeakPolarHBondContact O-CG 3.31Å; S670-R673 PolarHBondContact O-N 3.46Å; S670-R673 PolarHBondContact OG-NE 2.88Å; W671-R673 PolarHBondContact O-N 3Å; R673-F675 VanDerWaalsContact C-N 3.26Å; R673-F675 PolarHBondContact O-N 3.13Å; R673-S676 PolarHBondContact O-N 3.1Å; R673-R679 HydrophobicContact CB-CG 4.47Å; R673-R679 WeakPolarHBondContact O-CB 3.42Å; R673-E720 IonicContact CZ-OE2 3.64Å; R673-E720 IonicContact NH1-OE2 2.77Å; R673-E720 PolarHBondContact NH1-OE2 2.9Å; R673-E720 IonicContact NH2-OE2 3.44Å
674	Y	89.9	Confident	89.9	Confident	106 Å²	106	48.9 Å²	48.9	42%	0.416	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-75.2	-14.4	-179.8	-61.6	-70.7	0	0	0	113.5	W671 L672 Y680	W671-Y674 WeakPolarHBondContact O-CD2 3.47Å; W671-Y674 PolarHBondContact O-N 3.37Å; L672-Y674 PolarHBondContact O-N 3.07Å; Y674-Y680 WeakPolarHBondContact O-CE2 3.31Å; Y674-Y680 PolarHBondContact O-OH 3.33Å
675	F	91.9	Very high	90.6	Very high	125 Å²	125	44.7 Å²	44.7	55%	0.548	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-92.3	-9.4	172.1	-72.7	-83.5	0	0	0	112.5	M652 W671 L672 R673 I677	M652-F675 WeakPolarHBondContact CE-O 3.5Å; W671-F675 AromaticContact CE3-CD2 3.86Å; W671-F675 HydrophobicContact CE3-CD2 3.86Å; W671-F675 AromaticContact CE3-CE2 3.6Å; W671-F675 HydrophobicContact CE3-CE2 3.6Å; W671-F675 AromaticContact CZ3-CD2 3.77Å; W671-F675 HydrophobicContact CZ3-CD2 3.77Å; W671-F675 AromaticContact CZ3-CE2 3.47Å; W671-F675 HydrophobicContact CZ3-CE2 3.47Å; W671-F675 VanDerWaalsContact CZ3-CE2 3.47Å; W671-F675 HydrophobicContact CZ3-CZ 4.43Å; L672-F675 PolarHBondContact O-N 3.41Å; R673-F675 VanDerWaalsContact C-N 3.26Å; R673-F675 PolarHBondContact O-N 3.13Å; F675-I677 PolarHBondContact O-N 3.14Å
676	S	94.7	Very high	91.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	20%	0.203	C	C	.	.			trans	-83.3	118.2	-176.5	176.8	0	0	0	0	112.1	M652 R673 F678 R679 Y680	M652-S676 PolarHBondContact O-OG 3.25Å; R673-S676 PolarHBondContact O-N 3.1Å; S676-F678 PolarHBondContact O-N 2.92Å; S676-F678 WeakPolarHBondContact OG-CB 3.27Å; S676-F678 PolarHBondContact OG-N 3.5Å; S676-R679 PolarHBondContact O-N 3.37Å; S676-R679 PolarHBondContact OG-N 3.33Å; S676-Y680 VanDerWaalsContact O-CD2 3.23Å; S676-Y680 WeakPolarHBondContact O-CD2 3.5Å
677	I	96.8	Very high	91.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-38.8	168.9	-61.9	175.5	0	0	0	110.4	I542 T620 A623 A624 I627 M652 F675 R679 Y680 S681 L736 I739	I542-I677 HydrophobicContact CD1-CB 4.26Å; I542-I677 HydrophobicContact CD1-CG2 3.87Å; I542-I677 HydrophobicContact CG1-CG2 4.36Å; T620-I677 HydrophobicContact CG2-CG2 3.84Å; A623-I677 HydrophobicContact CB-CD1 3.78Å; A623-I677 HydrophobicContact CB-CG1 4.22Å; A623-I677 HydrophobicContact CB-CG2 4.34Å; A624-I677 HydrophobicContact CB-CD1 4.45Å; I627-I677 HydrophobicContact CD1-CD1 3.46Å; I627-I677 VanDerWaalsContact CD1-CD1 3.46Å; I627-I677 HydrophobicContact CD1-CG1 4.39Å; I627-I677 HydrophobicContact CG1-CD1 4.37Å; M652-I677 HydrophobicContact SD-CD1 4.43Å; M652-I677 HydrophobicContact SD-CG1 4.27Å; F675-I677 PolarHBondContact O-N 3.14Å; I677-R679 VanDerWaalsContact C-N 3.28Å; I677-R679 PolarHBondContact O-N 2.89Å; I677-Y680 PolarHBondContact O-N 3.41Å; I677-S681 WeakPolarHBondContact O-CB 3.32Å; I677-S681 PolarHBondContact O-N 2.86Å; I677-L736 HydrophobicContact CB-CD2 4.47Å; I677-L736 HydrophobicContact CG2-CD2 3.67Å; I677-I739 HydrophobicContact CD1-CG2 4.21Å; I677-I739 HydrophobicContact CG1-CD1 4.28Å; I677-I739 HydrophobicContact CG1-CG2 4.03Å
678	F	95.6	Very high	92.1	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-39.9	178.5	-75.3	-100.1	0	0	0	111.8	T538 L539 I542 F543 M652 M653 S676 Y680 S681 M682	T538-F678 HydrophobicContact CG2-CB 4.42Å; T538-F678 HydrophobicContact CG2-CD1 3.55Å; T538-F678 HydrophobicContact CG2-CE1 4.04Å; T538-F678 HydrophobicContact CG2-CG 4.1Å; L539-F678 HydrophobicContact CB-CE1 4.16Å; I542-F678 HydrophobicContact CB-CE2 4.28Å; I542-F678 HydrophobicContact CB-CZ 4.11Å; I542-F678 HydrophobicContact CD1-CD1 3.99Å; I542-F678 HydrophobicContact CD1-CD2 3.42Å; I542-F678 VanDerWaalsContact CD1-CD2 3.42Å; I542-F678 HydrophobicContact CD1-CE1 3.9Å; I542-F678 HydrophobicContact CD1-CE2 3.31Å; I542-F678 HydrophobicContact CD1-CG 3.75Å; I542-F678 HydrophobicContact CD1-CZ 3.55Å; I542-F678 HydrophobicContact CG1-CE2 4.37Å; I542-F678 HydrophobicContact CG1-CZ 4.4Å; I542-F678 HydrophobicContact CG2-CE2 3.92Å; I542-F678 HydrophobicContact CG2-CZ 4.12Å; F543-F678 HydrophobicContact CD2-CZ 4.46Å; F543-F678 HydrophobicContact CE2-CZ 4.08Å; M652-F678 HydrophobicContact CB-CD2 3.96Å; M652-F678 HydrophobicContact CB-CE2 4.42Å; M653-F678 HydrophobicContact CB-CD1 4.4Å; M653-F678 HydrophobicContact CB-CD2 4.11Å; M653-F678 HydrophobicContact CB-CE1 4.08Å; M653-F678 HydrophobicContact CB-CE2 3.76Å; M653-F678 HydrophobicContact CB-CG 4.43Å; M653-F678 HydrophobicContact CB-CZ 3.75Å; M653-F678 HydrophobicContact CG-CE1 4.07Å; M653-F678 HydrophobicContact CG-CZ 4.13Å; S676-F678 PolarHBondContact O-N 2.92Å; S676-F678 WeakPolarHBondContact OG-CB 3.27Å; S676-F678 PolarHBondContact OG-N 3.5Å; F678-Y680 PolarHBondContact O-N 2.88Å; F678-S681 PolarHBondContact O-N 3.46Å; F678-M682 VanDerWaalsContact O-CB 3.31Å; F678-M682 WeakPolarHBondContact O-CB 3.22Å; F678-M682 VanDerWaalsContact O-CG 3.31Å; F678-M682 WeakPolarHBondContact O-CG 3.48Å; F678-M682 PolarHBondContact O-N 2.93Å
679	R	94	Very high	92.3	Very high	17 Å²	17	28.9 Å²	28.9	6%	0.064	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-41.4	-178.8	177	55.8	-174.3	76.5	-1.1	112.4	R673 S676 I677 G683 E720	R673-R679 HydrophobicContact CB-CG 4.47Å; R673-R679 WeakPolarHBondContact O-CB 3.42Å; S676-R679 PolarHBondContact O-N 3.37Å; S676-R679 PolarHBondContact OG-N 3.33Å; I677-R679 VanDerWaalsContact C-N 3.28Å; I677-R679 PolarHBondContact O-N 2.89Å; R679-G683 WeakPolarHBondContact O-CA 3.27Å; R679-G683 PolarHBondContact O-N 3.3Å; R679-E720 PolarHBondContact NH2-O 3.42Å
680	Y	95.2	Very high	92.6	Very high	20 Å²	20	26.5 Å²	26.5	8%	0.078	12%	0.115	C	C	.	.	H	α-helix	trans	-73.4	-40.7	177.9	-63.7	-70.8	0	0	0	111.6	Y674 S676 I677 F678 G683 G684 Y731 N732 I739	Y674-Y680 WeakPolarHBondContact O-CE2 3.31Å; Y674-Y680 PolarHBondContact O-OH 3.33Å; S676-Y680 VanDerWaalsContact O-CD2 3.23Å; S676-Y680 WeakPolarHBondContact O-CD2 3.5Å; I677-Y680 PolarHBondContact O-N 3.41Å; F678-Y680 PolarHBondContact O-N 2.88Å; Y680-G683 PolarHBondContact O-N 2.92Å; Y680-G684 PolarHBondContact O-N 3.5Å; Y680-Y731 HydrophobicContact CD1-CE1 4.17Å; Y680-Y731 AromaticContact CE1-CE1 3.78Å; Y680-Y731 HydrophobicContact CE1-CE1 3.78Å; Y680-Y731 AromaticContact CE1-CZ 3.83Å; Y680-N732 WeakPolarHBondContact O-CB 3.49Å; Y680-I739 HydrophobicContact CD2-CD1 3.93Å; Y680-I739 HydrophobicContact CE2-CD1 3.7Å
681	S	96.2	Very high	92.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-55.2	175.5	-168.5	0	0	0	0	111	T538 T620 I677 F678 G683 G684 L685	T538-S681 WeakPolarHBondContact CG2-OG 3.24Å; T538-S681 PolarHBondContact OG1-OG 3.37Å; T620-S681 VanDerWaalsContact OG1-CB 3.26Å; T620-S681 WeakPolarHBondContact OG1-CB 3.3Å; T620-S681 PolarHBondContact OG1-OG 3.4Å; T620-S681 VanDerWaalsContact OG1-OG 3.11Å; I677-S681 WeakPolarHBondContact O-CB 3.32Å; I677-S681 PolarHBondContact O-N 2.86Å; F678-S681 PolarHBondContact O-N 3.46Å; S681-G683 PolarHBondContact O-N 2.89Å; S681-G684 PolarHBondContact O-N 2.94Å; S681-L685 VanDerWaalsContact O-CG 3.24Å; S681-L685 WeakPolarHBondContact O-CG 3.27Å; S681-L685 PolarHBondContact O-N 2.82Å
682	M	94.1	Very high	92.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.02	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-43.4	178.2	-70.5	-59.6	-68	0	0	112.1	T531 F534 Y535 F678 G684 L685 L686	T531-M682 HydrophobicContact CG2-CE 3.92Å; F534-M682 HydrophobicContact CB-CE 4.01Å; F534-M682 HydrophobicContact CB-SD 3.88Å; Y535-M682 VanDerWaalsContact CA-SD 3.51Å; Y535-M682 PolarHBondContact N-SD 3.45Å; Y535-M682 VanDerWaalsContact N-SD 3.41Å; F678-M682 VanDerWaalsContact O-CB 3.31Å; F678-M682 WeakPolarHBondContact O-CB 3.22Å; F678-M682 VanDerWaalsContact O-CG 3.31Å; F678-M682 WeakPolarHBondContact O-CG 3.48Å; F678-M682 PolarHBondContact O-N 2.93Å; M682-G684 PolarHBondContact O-N 3.01Å; M682-L685 PolarHBondContact O-N 3.4Å; M682-L686 HydrophobicContact CB-CD1 4.5Å; M682-L686 HydrophobicContact CE-CD1 4.01Å; M682-L686 HydrophobicContact CE-CG 4.44Å; M682-L686 VanDerWaalsContact O-CB 3.27Å; M682-L686 WeakPolarHBondContact O-CB 3.41Å; M682-L686 VanDerWaalsContact O-CG 3.31Å; M682-L686 WeakPolarHBondContact O-CG 3.31Å; M682-L686 PolarHBondContact O-N 2.91Å
683	G	92.9	Very high	92.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-46.2	177.8	0	0	0	0	0	112.7	R679 Y680 S681 A687	R679-G683 WeakPolarHBondContact O-CA 3.27Å; R679-G683 PolarHBondContact O-N 3.3Å; Y680-G683 PolarHBondContact O-N 2.92Å; S681-G683 PolarHBondContact O-N 2.89Å; G683-A687 WeakPolarHBondContact O-CB 3.38Å; G683-A687 PolarHBondContact O-N 2.69Å
684	G	94.1	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-47	178.5	0	0	0	0	0	112.9	Y680 S681 M682 M688	Y680-G684 PolarHBondContact O-N 3.5Å; S681-G684 PolarHBondContact O-N 2.94Å; M682-G684 PolarHBondContact O-N 3.01Å; G684-M688 PolarHBondContact O-N 3.49Å
685	L	95.3	Very high	93	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-47	-178.9	-65.6	174.2	0	0	0	111.8	F534 F613 I616 L617 S681 M682 M688 E689	F534-L685 HydrophobicContact CB-CB 4.26Å; F534-L685 HydrophobicContact CB-CD1 3.96Å; F534-L685 HydrophobicContact CD1-CB 4.24Å; F534-L685 HydrophobicContact CD1-CD1 4.21Å; F534-L685 HydrophobicContact CD2-CB 3.66Å; F534-L685 HydrophobicContact CE1-CB 4.5Å; F534-L685 HydrophobicContact CE2-CB 3.96Å; F534-L685 WeakPolarHBondContact CE2-O 3.4Å; F534-L685 HydrophobicContact CG-CB 3.81Å; F534-L685 HydrophobicContact CG-CD1 4.09Å; F534-L685 HydrophobicContact CZ-CB 4.37Å; F613-L685 HydrophobicContact CB-CD2 4.36Å; F613-L685 HydrophobicContact CD2-CD2 3.55Å; F613-L685 HydrophobicContact CE2-CD2 4.18Å; F613-L685 HydrophobicContact CG-CD2 4.22Å; I616-L685 HydrophobicContact CB-CD2 4.09Å; I616-L685 HydrophobicContact CG2-CD1 4.42Å; I616-L685 HydrophobicContact CG2-CD2 3.94Å; I616-L685 HydrophobicContact CG2-CG 3.85Å; L617-L685 HydrophobicContact CD2-CD1 4.13Å; S681-L685 VanDerWaalsContact O-CG 3.24Å; S681-L685 WeakPolarHBondContact O-CG 3.27Å; S681-L685 PolarHBondContact O-N 2.82Å; M682-L685 PolarHBondContact O-N 3.4Å; L685-M688 PolarHBondContact O-N 3.19Å; L685-E689 WeakPolarHBondContact O-CB 3.18Å; L685-E689 PolarHBondContact O-N 3.11Å; L685-E689 VanDerWaalsContact O-N 3.1Å
686	L	94.1	Very high	92.7	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-41.1	179.2	-71.1	168	0	0	0	112.2	T531 F534 M682 M688 E689 M690 Y715 L716 I721	T531-L686 HydrophobicContact CG2-CD1 4.28Å; T531-L686 HydrophobicContact CG2-CD2 4.22Å; F534-L686 HydrophobicContact CD2-CD2 3.83Å; F534-L686 HydrophobicContact CD2-CG 4.13Å; F534-L686 HydrophobicContact CE2-CD2 4.3Å; M682-L686 HydrophobicContact CB-CD1 4.5Å; M682-L686 HydrophobicContact CE-CD1 4.01Å; M682-L686 HydrophobicContact CE-CG 4.44Å; M682-L686 VanDerWaalsContact O-CB 3.27Å; M682-L686 WeakPolarHBondContact O-CB 3.41Å; M682-L686 VanDerWaalsContact O-CG 3.31Å; M682-L686 WeakPolarHBondContact O-CG 3.31Å; M682-L686 PolarHBondContact O-N 2.91Å; L686-M688 VanDerWaalsContact C-N 3.28Å; L686-M688 PolarHBondContact O-N 3.04Å; L686-E689 PolarHBondContact O-N 3.43Å; L686-M690 HydrophobicContact CD2-CE 3.73Å; L686-M690 HydrophobicContact CD2-CG 4.26Å; L686-M690 VanDerWaalsContact O-CB 3.27Å; L686-M690 WeakPolarHBondContact O-CB 3.43Å; L686-M690 WeakPolarHBondContact O-CG 3.34Å; L686-M690 PolarHBondContact O-N 2.85Å; L686-Y715 HydrophobicContact CD1-CE1 4.2Å; L686-Y715 HydrophobicContact CD2-CE1 4.26Å; L686-L716 HydrophobicContact CB-CD2 4.08Å; L686-I721 HydrophobicContact CB-CD1 4.02Å; L686-I721 HydrophobicContact CD1-CD1 3.74Å
687	A	92.9	Very high	92.2	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-38	178.4	0	0	0	0	0	112.1	G683 K691 I721 L729	G683-A687 WeakPolarHBondContact O-CB 3.38Å; G683-A687 PolarHBondContact O-N 2.69Å; A687-K691 WeakPolarHBondContact O-CB 3.22Å; A687-I721 HydrophobicContact CB-CG2 3.95Å; A687-L729 HydrophobicContact CB-CD1 4.24Å
688	M	92.8	Very high	91.3	Very high	46 Å²	46	32.1 Å²	32.1	23%	0.227	16%	0.158	C	C	.	.	H	α-helix	trans	-70.3	-46.3	176.4	-177.7	58.2	89.5	0	0	112.1	A609 F612 G684 L685 L686 L729	A609-M688 HydrophobicContact CB-CG 3.77Å; A609-M688 HydrophobicContact CB-SD 3.95Å; F612-M688 HydrophobicContact CB-CE 3.49Å; F612-M688 VanDerWaalsContact CB-CE 3.49Å; F612-M688 HydrophobicContact CD1-CB 4.03Å; F612-M688 HydrophobicContact CD1-CE 3.93Å; F612-M688 HydrophobicContact CD1-CG 4.3Å; F612-M688 HydrophobicContact CD2-CE 4.22Å; F612-M688 HydrophobicContact CE1-CB 4.49Å; F612-M688 HydrophobicContact CG-CE 3.6Å; G684-M688 PolarHBondContact O-N 3.49Å; L685-M688 PolarHBondContact O-N 3.19Å; L686-M688 VanDerWaalsContact C-N 3.28Å; L686-M688 PolarHBondContact O-N 3.04Å; M688-L729 HydrophobicContact CB-CD1 4.06Å; M688-L729 HydrophobicContact CE-CD1 4.29Å; M688-L729 HydrophobicContact CE-CD2 3.59Å
689	E	93.6	Very high	90	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	20%	0.202	C	C	.	.	H	α-helix	trans	-73.9	-45.8	-173.9	179.7	64.1	-166.4	0	0	112.9	R530 F534 L603 Q604 L685 L686 L693	R530-E689 IonicContact CZ-OE1 3.27Å; R530-E689 IonicContact NE-OE1 3.18Å; R530-E689 PolarHBondContact NE-OE1 3.19Å; R530-E689 IonicContact NH2-OE1 2.64Å; F534-E689 HydrophobicContact CE2-CB 3.59Å; F534-E689 HydrophobicContact CE2-CG 3.93Å; F534-E689 HydrophobicContact CZ-CB 3.73Å; F534-E689 HydrophobicContact CZ-CG 3.91Å; L603-E689 HydrophobicContact CD2-CG 4.19Å; Q604-E689 WeakPolarHBondContact CG-OE2 3.16Å; Q604-E689 PolarHBondContact N-OE2 3.23Å; Q604-E689 VanDerWaalsContact N-OE2 3.13Å; L685-E689 WeakPolarHBondContact O-CB 3.18Å; L685-E689 PolarHBondContact O-N 3.11Å; L685-E689 VanDerWaalsContact O-N 3.1Å; L686-E689 PolarHBondContact O-N 3.43Å; E689-L693 HydrophobicContact CG-CD1 4.07Å; E689-L693 WeakPolarHBondContact O-CD1 3.45Å; E689-L693 WeakPolarHBondContact O-CG 3.49Å; E689-L693 WeakPolarHBondContact OE1-CD1 3.33Å
690	M	91.7	Very high	88.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-81.3	-19.3	-167.6	-62	-64.7	178.5	0	0	113.6	I527 R530 L686 T692 L693 F695 G712 L716	I527-M690 HydrophobicContact CG2-CE 4.46Å; R530-M690 HydrophobicContact CB-CE 3.57Å; R530-M690 HydrophobicContact CG-CE 4.43Å; L686-M690 HydrophobicContact CD2-CE 3.73Å; L686-M690 HydrophobicContact CD2-CG 4.26Å; L686-M690 VanDerWaalsContact O-CB 3.27Å; L686-M690 WeakPolarHBondContact O-CB 3.43Å; L686-M690 WeakPolarHBondContact O-CG 3.34Å; L686-M690 PolarHBondContact O-N 2.85Å; M690-T692 VanDerWaalsContact C-N 3.27Å; M690-T692 PolarHBondContact O-N 2.89Å; M690-L693 PolarHBondContact O-N 2.9Å; M690-F695 HydrophobicContact SD-CE2 3.86Å; M690-F695 HydrophobicContact SD-CZ 3.74Å; M690-G712 CarbonylContact O-C 3.57Å; M690-G712 WeakPolarHBondContact O-CA 3.41Å; M690-L716 HydrophobicContact CB-CD1 4.04Å; M690-L716 HydrophobicContact CB-CD2 4.03Å; M690-L716 HydrophobicContact CB-CG 3.99Å; M690-L716 HydrophobicContact CG-CD2 4.34Å
691	K	89	Confident	86.5	Confident	103 Å²	103	48 Å²	48	45%	0.448	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.1	-173	-178.8	168.2	-178.3	159.2	0	113.5	A687 Y723	A687-K691 WeakPolarHBondContact O-CB 3.22Å; K691-Y723 PolarHBondContact NZ-O 3.29Å
692	T	86.1	Confident	84.5	Confident	100 Å²	100	56.1 Å²	56.1	61%	0.613	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-0.9	-175.5	40.4	0	0	0	0	113.8	Q604 M690	Q604-T692 VanDerWaalsContact CD-OG1 3.23Å; Q604-T692 PolarHBondContact NE2-OG1 3.24Å; M690-T692 VanDerWaalsContact C-N 3.27Å; M690-T692 PolarHBondContact O-N 2.89Å
693	L	90.7	Very high	82.7	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.099	31%	0.313	C	S	.	.			trans	-96.5	148	-175.3	-66.6	175.9	0	0	0	112.5	E689 M690 F695 G712	E689-L693 HydrophobicContact CG-CD1 4.07Å; E689-L693 WeakPolarHBondContact O-CD1 3.45Å; E689-L693 WeakPolarHBondContact O-CG 3.49Å; E689-L693 WeakPolarHBondContact OE1-CD1 3.33Å; M690-L693 PolarHBondContact O-N 2.9Å; L693-F695 HydrophobicContact CB-CE2 3.85Å; L693-F695 HydrophobicContact CB-CZ 3.86Å; L693-F695 HydrophobicContact CD1-CZ 3.84Å; L693-G712 PolarHBondContact O-N 3.43Å
694	R	90.2	Very high	80.9	Confident	152 Å²	152	66.5 Å²	66.5	57%	0.574	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.8	171.7	-175	175.6	-176.7	-174.3	-0.4	108.6	C709 N711	R694-C709 HydrophobicContact CG-CB 4.2Å; R694-N711 WeakPolarHBondContact CG-OD1 3.32Å
695	F	90.7	Very high	79.3	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.5	-175.5	-60.2	-83	0	0	0	110.2	D521 L523 I527 M690 L693 C709 Q710	D521-F695 HydrophobicContact CB-CD1 4.48Å; D521-F695 WeakPolarHBondContact O-CA 3.22Å; L523-F695 HydrophobicContact CB-CB 4.43Å; L523-F695 HydrophobicContact CD1-CB 4.05Å; I527-F695 HydrophobicContact CD1-CB 4.39Å; I527-F695 HydrophobicContact CD1-CD2 3.74Å; I527-F695 HydrophobicContact CD1-CE2 4.18Å; I527-F695 HydrophobicContact CD1-CG 4.01Å; I527-F695 HydrophobicContact CG1-CB 4.47Å; I527-F695 HydrophobicContact CG1-CD1 3.86Å; I527-F695 HydrophobicContact CG1-CD2 3.53Å; I527-F695 HydrophobicContact CG1-CE1 3.92Å; I527-F695 HydrophobicContact CG1-CE2 3.58Å; I527-F695 HydrophobicContact CG1-CG 3.68Å; I527-F695 HydrophobicContact CG1-CZ 3.78Å; M690-F695 HydrophobicContact SD-CE2 3.86Å; M690-F695 HydrophobicContact SD-CZ 3.74Å; L693-F695 HydrophobicContact CB-CE2 3.85Å; L693-F695 HydrophobicContact CB-CZ 3.86Å; L693-F695 HydrophobicContact CD1-CZ 3.84Å; F695-C709 CarbonylContact O-C 3.56Å; F695-C709 WeakPolarHBondContact O-CA 3.46Å; F695-C709 WeakPolarHBondContact O-CB 3.15Å; F695-Q710 PolarHBondContact N-O 3.35Å; F695-Q710 PolarHBondContact O-N 3.33Å
696	C	86.7	Confident	77.6	Confident	52 Å²	52	79.8 Å²	79.8	35%	0.351	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-113.1	142.3	-179.4	-72.4	0	0	0	0	110.8	D521 S522 L523 C709	D521-C696 PolarHBondContact O-N 3.34Å; S522-C696 CarbonylContact C-O 3.6Å; S522-C696 VanDerWaalsContact CA-O 3.32Å; S522-C696 WeakPolarHBondContact CA-O 3.06Å; L523-C696 PolarHBondContact N-O 2.9Å; C696-C709 VanDerWaalsContact CA-SG 3.54Å; C696-C709 HydrophobicContact CB-CB 4.04Å; C696-C709 WeakPolarHBondContact CB-SG 3.27Å; C696-C709 WeakPolarHBondContact SG-CB 3.4Å; C696-C709 CovalentContact SG-SG 2.04Å; C696-C709 PolarHBondContact SG-SG 3.16Å
697	P	83.3	Confident	76.4	Confident	26 Å²	26	86 Å²	86	17%	0.169	45%	0.45	C	S	.	.			trans	-64.6	149.6	175.5	23.9	-28.5	0	0	0	111.2	L523 E524 R707	L523-P697 HydrophobicContact CB-CB 4.48Å; E524-P697 WeakPolarHBondContact OE1-CA 3.44Å; E524-P697 WeakPolarHBondContact OE1-CB 3.37Å; P697-R707 HydrophobicContact CB-CB 3.99Å; P697-R707 HydrophobicContact CG-CB 3.83Å; P697-R707 WeakPolarHBondContact CG-O 3.47Å
698	M	77.8	Confident	75.8	Confident	116 Å²	116	93.7 Å²	93.7	57%	0.571	49%	0.486	S	S	*	.			trans	-68.7	133.8	178.1	-68.7	-172.8	90.2	0	0	110.8	E524 N700 S701	E524-M698 PolarHBondContact OE1-N 3.35Å; E524-M698 PolarHBondContact OE2-N 3.37Å; M698-N700 PolarHBondContact O-N 3.32Å; M698-S701 PolarHBondContact O-N 2.79Å; M698-S701 VanDerWaalsContact O-N 3.17Å; M698-S701 PolarHBondContact O-OG 3.41Å; M698-S701 VanDerWaalsContact O-OG 3.08Å
699	N	68.1	Low	75.3	Confident	170 Å²	170	93.6 Å²	93.6	91%	0.909	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-12.4	-176.5	-87.1	-4.9	0	0	0	115.7
700	N	60	Low	75	Confident	153 Å²	153	97.4 Å²	97.4	82%	0.818	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	15.6	-176.2	-77.6	-3.2	0	0	0	114.4	M698 N702	M698-N700 PolarHBondContact O-N 3.32Å; N700-N702 PolarHBondContact O-N 3.14Å; N700-N702 VanDerWaalsContact O-N 3.11Å
701	S	55.9	Low	75	Confident	50 Å²	50	101.2 Å²	101.2	35%	0.35	53%	0.527	S	S	.	.			trans	-76.4	100	171.1	48	0	0	0	0	109.5	M698 T703	M698-S701 PolarHBondContact O-N 2.79Å; M698-S701 VanDerWaalsContact O-N 3.17Å; M698-S701 PolarHBondContact O-OG 3.41Å; M698-S701 VanDerWaalsContact O-OG 3.08Å; S701-T703 PolarHBondContact O-N 3.34Å
702	N	54.2	Low	75	Confident	169 Å²	169	96.3 Å²	96.3	90%	0.904	51%	0.506	S	S	*	.			trans	-65.8	43.1	171.6	-79.6	-14.4	0	0	0	112.3	N700	N700-N702 PolarHBondContact O-N 3.14Å; N700-N702 VanDerWaalsContact O-N 3.11Å
703	T	56.6	Low	75.2	Confident	69 Å²	69	92.9 Å²	92.9	42%	0.423	48%	0.484	S	S	.	.			trans	-98.8	129.7	176.5	49.7	0	0	0	0	108.8	S701 I705	S701-T703 PolarHBondContact O-N 3.34Å; T703-I705 PolarHBondContact O-N 3.25Å
704	T	55.3	Low	75.1	Confident	155 Å²	155	94.1 Å²	94.1	95%	0.951	49%	0.493	S	S	*	.	S	Bend	trans	-61.4	10.3	177	31.9	0	0	0	0	115
705	I	60.5	Low	75	Confident	116 Å²	116	88.8 Å²	88.8	60%	0.595	47%	0.473	S	S	*	.	S	Bend	trans	-117.7	111.6	-176.9	-55.6	175.2	0	0	0	107.4	T703 R707	T703-I705 PolarHBondContact O-N 3.25Å; I705-R707 VanDerWaalsContact C-N 3.27Å; I705-R707 HydrophobicContact CG2-CG 4.47Å; I705-R707 PolarHBondContact O-N 3.48Å
706	N	59.6	Low	75	Confident	165 Å²	165	88.8 Å²	88.8	88%	0.882	47%	0.473	S	S	*	.			trans	-61	87.9	169.6	-86.5	-18.4	0	0	0	109.5	Q708	N706-Q708 PolarHBondContact O-N 3.21Å
707	R	69	Low	75	Confident	135 Å²	135	91.2 Å²	91.2	51%	0.509	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-70.9	124.6	170.8	-72.7	-177.8	172.4	179.3	-2.5	107.8	L523 P697 I705	L523-R707 HydrophobicContact CD2-CB 4.39Å; P697-R707 HydrophobicContact CB-CB 3.99Å; P697-R707 HydrophobicContact CG-CB 3.83Å; P697-R707 WeakPolarHBondContact CG-O 3.47Å; I705-R707 VanDerWaalsContact C-N 3.27Å; I705-R707 HydrophobicContact CG2-CG 4.47Å; I705-R707 PolarHBondContact O-N 3.48Å
708	Q	79.4	Confident	75.1	Confident	167 Å²	167	93.6 Å²	93.6	78%	0.78	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-89.3	151.6	175.2	-68.4	-173	-14.8	0	0	110	N706 Q710	N706-Q708 PolarHBondContact O-N 3.21Å; Q708-Q710 PolarHBondContact O-N 2.84Å
709	C	83.8	Confident	75.4	Confident	43 Å²	43	89.2 Å²	89.2	29%	0.291	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-61.7	130.2	172.5	-55.7	0	0	0	0	110.3	R694 F695 C696	R694-C709 HydrophobicContact CG-CB 4.2Å; F695-C709 CarbonylContact O-C 3.56Å; F695-C709 WeakPolarHBondContact O-CA 3.46Å; F695-C709 WeakPolarHBondContact O-CB 3.15Å; C696-C709 VanDerWaalsContact CA-SG 3.54Å; C696-C709 HydrophobicContact CB-CB 4.04Å; C696-C709 WeakPolarHBondContact CB-SG 3.27Å; C696-C709 WeakPolarHBondContact SG-CB 3.4Å; C696-C709 CovalentContact SG-SG 2.04Å; C696-C709 PolarHBondContact SG-SG 3.16Å
710	Q	87.5	Confident	76.2	Confident	86 Å²	86	84.9 Å²	84.9	40%	0.402	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.5	174.8	-81.1	-175.8	-29	0	0	110.9	L523 F695 Q708	L523-Q710 HydrophobicContact CD1-CB 4.1Å; F695-Q710 PolarHBondContact N-O 3.35Å; F695-Q710 PolarHBondContact O-N 3.33Å; Q708-Q710 PolarHBondContact O-N 2.84Å
711	N	89.9	Confident	77.5	Confident	80 Å²	80	78.1 Å²	78.1	43%	0.428	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	145.7	168.4	-69.4	-13.2	0	0	0	109.1	R694 T713 T714	R694-N711 WeakPolarHBondContact CG-OD1 3.32Å; N711-T713 WeakPolarHBondContact CB-OG1 3.47Å; N711-T713 PolarHBondContact O-N 3.41Å; N711-T713 VanDerWaalsContact O-N 3.09Å; N711-T714 WeakPolarHBondContact O-CB 3.16Å; N711-T714 PolarHBondContact O-N 3.47Å; N711-T714 PolarHBondContact O-OG1 3.49Å
712	G	89.4	Confident	79	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-21.6	175.1	0	0	0	0	0	113.1	M690 L693 T714 Y715 L716	M690-G712 CarbonylContact O-C 3.57Å; M690-G712 WeakPolarHBondContact O-CA 3.41Å; L693-G712 PolarHBondContact O-N 3.43Å; G712-T714 VanDerWaalsContact C-N 3.28Å; G712-T714 PolarHBondContact O-N 2.68Å; G712-Y715 WeakPolarHBondContact O-CB 3.46Å; G712-Y715 PolarHBondContact O-N 3.46Å; G712-L716 PolarHBondContact O-N 3.09Å
713	T	90.2	Very high	80.5	Confident	27 Å²	27	71.8 Å²	71.8	17%	0.166	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-33.4	172.8	58.2	0	0	0	0	113.3	N711 Y715 L716 E717 Y723	N711-T713 WeakPolarHBondContact CB-OG1 3.47Å; N711-T713 PolarHBondContact O-N 3.41Å; N711-T713 VanDerWaalsContact O-N 3.09Å; T713-Y715 VanDerWaalsContact C-N 3.28Å; T713-Y715 PolarHBondContact O-N 2.97Å; T713-L716 WeakPolarHBondContact O-CB 3.36Å; T713-L716 PolarHBondContact O-N 3.38Å; T713-L716 VanDerWaalsContact O-N 3.13Å; T713-E717 WeakPolarHBondContact O-CG 3.42Å; T713-E717 PolarHBondContact O-N 2.96Å; T713-Y723 HydrophobicContact CG2-CD2 3.91Å; T713-Y723 HydrophobicContact CG2-CE2 3.43Å; T713-Y723 VanDerWaalsContact CG2-CE2 3.43Å
714	T	88.7	Confident	81.8	Confident	45 Å²	45	74.8 Å²	74.8	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-39.6	175.8	-53.4	0	0	0	0	110.8	N711 G712 L716 E717 D718	N711-T714 WeakPolarHBondContact O-CB 3.16Å; N711-T714 PolarHBondContact O-N 3.47Å; N711-T714 PolarHBondContact O-OG1 3.49Å; G712-T714 VanDerWaalsContact C-N 3.28Å; G712-T714 PolarHBondContact O-N 2.68Å; T714-L716 VanDerWaalsContact C-N 3.35Å; T714-L716 PolarHBondContact O-N 3.23Å; T714-E717 PolarHBondContact O-N 3.34Å; T714-D718 PolarHBondContact O-N 2.88Å; T714-D718 VanDerWaalsContact O-N 3.09Å
715	Y	88.2	Confident	83.3	Confident	41 Å²	41	70.6 Å²	70.6	16%	0.161	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-39.2	174.5	179.5	-97.3	0	0	0	112.1	I527 T531 L686 G712 T713 E717 D718 Q719	I527-Y715 HydrophobicContact CG2-CD1 4.26Å; I527-Y715 HydrophobicContact CG2-CD2 3.55Å; I527-Y715 HydrophobicContact CG2-CE1 4.42Å; I527-Y715 HydrophobicContact CG2-CE2 3.74Å; I527-Y715 HydrophobicContact CG2-CG 3.83Å; T531-Y715 WeakPolarHBondContact CG2-OH 3.45Å; L686-Y715 HydrophobicContact CD1-CE1 4.2Å; L686-Y715 HydrophobicContact CD2-CE1 4.26Å; G712-Y715 WeakPolarHBondContact O-CB 3.46Å; G712-Y715 PolarHBondContact O-N 3.46Å; T713-Y715 VanDerWaalsContact C-N 3.28Å; T713-Y715 PolarHBondContact O-N 2.97Å; Y715-E717 VanDerWaalsContact C-N 3.35Å; Y715-E717 PolarHBondContact O-N 3.24Å; Y715-D718 PolarHBondContact O-N 2.89Å; Y715-Q719 HydrophobicContact CD1-CG 4.28Å; Y715-Q719 HydrophobicContact CE1-CG 3.74Å; Y715-Q719 HydrophobicContact CE2-CG 4.03Å; Y715-Q719 WeakPolarHBondContact O-CG 3.33Å; Y715-Q719 PolarHBondContact O-N 3.46Å
716	L	90	Very high	84.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-40.1	176.9	-62.1	176.2	0	0	0	112	L686 M690 G712 T713 T714 D718 Q719 E720 I721 Y723	L686-L716 HydrophobicContact CB-CD2 4.08Å; M690-L716 HydrophobicContact CB-CD1 4.04Å; M690-L716 HydrophobicContact CB-CD2 4.03Å; M690-L716 HydrophobicContact CB-CG 3.99Å; M690-L716 HydrophobicContact CG-CD2 4.34Å; G712-L716 PolarHBondContact O-N 3.09Å; T713-L716 WeakPolarHBondContact O-CB 3.36Å; T713-L716 PolarHBondContact O-N 3.38Å; T713-L716 VanDerWaalsContact O-N 3.13Å; T714-L716 VanDerWaalsContact C-N 3.35Å; T714-L716 PolarHBondContact O-N 3.23Å; L716-D718 VanDerWaalsContact C-N 3.31Å; L716-D718 PolarHBondContact O-N 3.05Å; L716-Q719 PolarHBondContact O-N 3.2Å; L716-E720 PolarHBondContact O-N 3.3Å; L716-I721 HydrophobicContact CB-CB 4.37Å; L716-I721 HydrophobicContact CD2-CB 4.07Å; L716-I721 HydrophobicContact CD2-CD1 4.11Å; L716-I721 HydrophobicContact CD2-CG2 4.05Å; L716-I721 PolarHBondContact O-N 2.96Å; L716-Y723 HydrophobicContact CB-CD1 3.73Å; L716-Y723 HydrophobicContact CB-CE1 4.23Å; L716-Y723 HydrophobicContact CB-CG 4.3Å; L716-Y723 HydrophobicContact CD1-CD1 4.07Å; L716-Y723 HydrophobicContact CD1-CD2 4.33Å; L716-Y723 HydrophobicContact CD1-CG 3.74Å
717	E	87.7	Confident	85.8	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-37	174.3	-69	175.6	178.8	0	0	112.2	K663 T713 T714 Y715 Q719 E720 Y723	K663-E717 WeakPolarHBondContact CE-O 3.12Å; K663-E717 PolarHBondContact NZ-O 3.31Å; T713-E717 WeakPolarHBondContact O-CG 3.42Å; T713-E717 PolarHBondContact O-N 2.96Å; T714-E717 PolarHBondContact O-N 3.34Å; Y715-E717 VanDerWaalsContact C-N 3.35Å; Y715-E717 PolarHBondContact O-N 3.24Å; E717-Q719 VanDerWaalsContact C-N 3.34Å; E717-E720 PolarHBondContact O-N 3.18Å; E717-Y723 HydrophobicContact CG-CE1 3.64Å; E717-Y723 PolarHBondContact OE1-OH 3.49Å
718	D	84.6	Confident	86.6	Confident	76 Å²	76	61.9 Å²	61.9	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-33.1	176.7	-79.9	-20.4	0	0	0	113.5	K663 T714 Y715 L716 E720	K663-D718 WeakPolarHBondContact CD-O 3.36Å; K663-D718 WeakPolarHBondContact CE-O 3.27Å; K663-D718 IonicContact NZ-OD1 3.52Å; K663-D718 PolarHBondContact NZ-OD1 3.33Å; T714-D718 PolarHBondContact O-N 2.88Å; T714-D718 VanDerWaalsContact O-N 3.09Å; Y715-D718 PolarHBondContact O-N 2.89Å; L716-D718 VanDerWaalsContact C-N 3.31Å; L716-D718 PolarHBondContact O-N 3.05Å; D718-E720 VanDerWaalsContact C-N 3.34Å
719	Q	85.5	Confident	87	Confident	23 Å²	23	55.6 Å²	55.6	11%	0.107	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	5.5	177.4	-62.8	-55.1	-35.2	0	0	114.4	G657 Y715 L716 E717 I721	G657-Q719 PolarHBondContact O-OE1 2.94Å; Y715-Q719 HydrophobicContact CD1-CG 4.28Å; Y715-Q719 HydrophobicContact CE1-CG 3.74Å; Y715-Q719 HydrophobicContact CE2-CG 4.03Å; Y715-Q719 WeakPolarHBondContact O-CG 3.33Å; Y715-Q719 PolarHBondContact O-N 3.46Å; L716-Q719 PolarHBondContact O-N 3.2Å; E717-Q719 VanDerWaalsContact C-N 3.34Å; Q719-I721 HydrophobicContact CB-CD1 3.74Å; Q719-I721 HydrophobicContact CB-CG1 3.84Å; Q719-I721 PolarHBondContact O-N 3.43Å
720	E	85.2	Confident	87.4	Confident	79 Å²	79	59.5 Å²	59.5	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.4	-172.4	-59.8	-172.9	169.2	0	0	112.4	K663 R673 R679 L716 E717 D718	K663-E720 HydrophobicContact CG-CG 3.94Å; R673-E720 IonicContact CZ-OE2 3.64Å; R673-E720 IonicContact NH1-OE2 2.77Å; R673-E720 PolarHBondContact NH1-OE2 2.9Å; R673-E720 IonicContact NH2-OE2 3.44Å; R679-E720 PolarHBondContact NH2-O 3.42Å; L716-E720 PolarHBondContact O-N 3.3Å; E717-E720 PolarHBondContact O-N 3.18Å; D718-E720 VanDerWaalsContact C-N 3.34Å
721	I	87.3	Confident	87.7	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.056	30%	0.296	C	S	.	.			trans	-98.5	111.9	175.1	-60.3	172.2	0	0	0	107.7	L686 A687 L716 Q719 Y723	L686-I721 HydrophobicContact CB-CD1 4.02Å; L686-I721 HydrophobicContact CD1-CD1 3.74Å; A687-I721 HydrophobicContact CB-CG2 3.95Å; L716-I721 HydrophobicContact CB-CB 4.37Å; L716-I721 HydrophobicContact CD2-CB 4.07Å; L716-I721 HydrophobicContact CD2-CD1 4.11Å; L716-I721 HydrophobicContact CD2-CG2 4.05Å; L716-I721 PolarHBondContact O-N 2.96Å; Q719-I721 HydrophobicContact CB-CD1 3.74Å; Q719-I721 HydrophobicContact CB-CG1 3.84Å; Q719-I721 PolarHBondContact O-N 3.43Å; I721-Y723 WeakPolarHBondContact O-CD1 3.23Å
722	P	86.3	Confident	87.9	Confident	49 Å²	49	54.9 Å²	54.9	32%	0.318	28%	0.275	S	S	.	.			trans	-66.7	140.3	176.7	30.1	-34.7	0	0	0	109.9	D728	P722-D728 VanDerWaalsContact C-CB 3.47Å; P722-D728 HydrophobicContact CB-CB 3.81Å; P722-D728 HydrophobicContact CG-CB 4.21Å; P722-D728 WeakPolarHBondContact O-CB 3.43Å
723	Y	86.1	Confident	88.2	Confident	37 Å²	37	55.6 Å²	55.6	15%	0.145	28%	0.28	C	S	.	.			trans	-148.3	-1.9	-172.8	70.1	-88.3	0	0	0	114.8	K691 T713 L716 E717 I721 D728	K691-Y723 PolarHBondContact NZ-O 3.29Å; T713-Y723 HydrophobicContact CG2-CD2 3.91Å; T713-Y723 HydrophobicContact CG2-CE2 3.43Å; T713-Y723 VanDerWaalsContact CG2-CE2 3.43Å; L716-Y723 HydrophobicContact CB-CD1 3.73Å; L716-Y723 HydrophobicContact CB-CE1 4.23Å; L716-Y723 HydrophobicContact CB-CG 4.3Å; L716-Y723 HydrophobicContact CD1-CD1 4.07Å; L716-Y723 HydrophobicContact CD1-CD2 4.33Å; L716-Y723 HydrophobicContact CD1-CG 3.74Å; E717-Y723 HydrophobicContact CG-CE1 3.64Å; E717-Y723 PolarHBondContact OE1-OH 3.49Å; I721-Y723 WeakPolarHBondContact O-CD1 3.23Å; Y723-D728 PolarHBondContact N-OD2 3.36Å
724	I	83.3	Confident	88.5	Confident	132 Å²	132	57.3 Å²	57.3	68%	0.677	29%	0.29	S	S	*	.	S	Bend	trans	-76.4	-53.8	-169.5	-61.1	170.8	0	0	0	109.2	D728	I724-D728 PolarHBondContact N-OD2 3.02Å
725	T	86.8	Confident	88.9	Confident	68 Å²	68	55.6 Å²	55.6	42%	0.417	28%	0.281	S	S	.	.	S	Bend	trans	-89.8	158.8	-176	78.4	0	0	0	0	111.4	W727 D728	T725-W727 PolarHBondContact O-N 3.31Å; T725-W727 WeakPolarHBondContact OG1-CB 3.17Å; T725-W727 PolarHBondContact OG1-N 3.08Å; T725-D728 PolarHBondContact N-OD2 3.49Å; T725-D728 WeakPolarHBondContact O-CB 2.9Å; T725-D728 PolarHBondContact O-N 2.61Å; T725-D728 PolarHBondContact OG1-N 3.2Å; T725-D728 PolarHBondContact OG1-OD1 2.96Å; T725-D728 PolarHBondContact OG1-OD2 3.42Å
726	G	83.1	Confident	89.3	Confident	55 Å²	55	53.6 Å²	53.6	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-60.7	-30.2	169.6	0	0	0	0	0	112.3	D728 L729	G726-D728 VanDerWaalsContact C-N 3.3Å; G726-D728 PolarHBondContact O-N 3.3Å; G726-L729 PolarHBondContact O-N 3.48Å
727	W	89.2	Confident	89.6	Confident	153 Å²	153	57 Å²	57	58%	0.58	29%	0.29	S	S	*	.	H	α-helix	trans	-64.9	-33.2	177	176.1	-112.4	0	0	0	112.6	T725 L729 W730 Y731 V734	T725-W727 PolarHBondContact O-N 3.31Å; T725-W727 WeakPolarHBondContact OG1-CB 3.17Å; T725-W727 PolarHBondContact OG1-N 3.08Å; W727-L729 PolarHBondContact O-N 3.31Å; W727-L729 VanDerWaalsContact O-N 3.16Å; W727-W730 HydrophobicContact CE3-CB 4.06Å; W727-W730 HydrophobicContact CZ3-CB 4.27Å; W727-W730 CarbonylContact O-C 3.58Å; W727-W730 PolarHBondContact O-N 3.25Å; W727-Y731 WeakPolarHBondContact O-CB 3.42Å; W727-Y731 PolarHBondContact O-N 3.41Å; W727-V734 HydrophobicContact CH2-CG2 3.89Å; W727-V734 HydrophobicContact CZ3-CG2 4.26Å
728	D	85.8	Confident	90.1	Very high	24 Å²	24	56.2 Å²	56.2	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-30.9	-177.6	-59	-13.8	0	0	0	112.4	P722 Y723 I724 T725 G726 N732	P722-D728 VanDerWaalsContact C-CB 3.47Å; P722-D728 HydrophobicContact CB-CB 3.81Å; P722-D728 HydrophobicContact CG-CB 4.21Å; P722-D728 WeakPolarHBondContact O-CB 3.43Å; Y723-D728 PolarHBondContact N-OD2 3.36Å; I724-D728 PolarHBondContact N-OD2 3.02Å; T725-D728 PolarHBondContact N-OD2 3.49Å; T725-D728 WeakPolarHBondContact O-CB 2.9Å; T725-D728 PolarHBondContact O-N 2.61Å; T725-D728 PolarHBondContact OG1-N 3.2Å; T725-D728 PolarHBondContact OG1-OD1 2.96Å; T725-D728 PolarHBondContact OG1-OD2 3.42Å; G726-D728 VanDerWaalsContact C-N 3.3Å; G726-D728 PolarHBondContact O-N 3.3Å; D728-N732 PolarHBondContact O-ND2 2.9Å
729	L	87.4	Confident	90.7	Very high	35 Å²	35	53.4 Å²	53.4	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-50.6	172.9	-170.4	76.4	0	0	0	111	F612 A687 M688 G726 W727 Y731 N732	F612-L729 HydrophobicContact CD1-CD1 4.11Å; F612-L729 HydrophobicContact CD1-CG 4.46Å; F612-L729 HydrophobicContact CD2-CD2 3.86Å; F612-L729 HydrophobicContact CD2-CG 4.26Å; F612-L729 HydrophobicContact CE1-CD1 3.52Å; F612-L729 HydrophobicContact CE1-CD2 4.32Å; F612-L729 HydrophobicContact CE1-CG 3.83Å; F612-L729 HydrophobicContact CE2-CD1 4.24Å; F612-L729 HydrophobicContact CE2-CD2 3.65Å; F612-L729 HydrophobicContact CE2-CG 3.6Å; F612-L729 HydrophobicContact CG-CD2 4.3Å; F612-L729 HydrophobicContact CZ-CD1 3.62Å; F612-L729 HydrophobicContact CZ-CD2 3.92Å; F612-L729 HydrophobicContact CZ-CG 3.37Å; A687-L729 HydrophobicContact CB-CD1 4.24Å; M688-L729 HydrophobicContact CB-CD1 4.06Å; M688-L729 HydrophobicContact CE-CD1 4.29Å; M688-L729 HydrophobicContact CE-CD2 3.59Å; G726-L729 PolarHBondContact O-N 3.48Å; W727-L729 PolarHBondContact O-N 3.31Å; W727-L729 VanDerWaalsContact O-N 3.16Å; L729-Y731 VanDerWaalsContact C-N 3.29Å; L729-Y731 PolarHBondContact O-N 3.38Å; L729-N732 PolarHBondContact O-N 3Å
730	W	93.6	Very high	91.2	Very high	125 Å²	125	53.3 Å²	53.3	47%	0.473	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-22.3	-178.4	-67.9	109.7	0	0	0	113.9	L615 W727 N732 V733 V734	L615-W730 HydrophobicContact CD2-CZ3 4.1Å; W727-W730 HydrophobicContact CE3-CB 4.06Å; W727-W730 HydrophobicContact CZ3-CB 4.27Å; W727-W730 CarbonylContact O-C 3.58Å; W727-W730 PolarHBondContact O-N 3.25Å; W730-N732 PolarHBondContact O-N 3.13Å; W730-V733 HydrophobicContact CE3-CB 4.06Å; W730-V733 HydrophobicContact CE3-CG1 4.1Å; W730-V733 HydrophobicContact CE3-CG2 3.86Å; W730-V733 HydrophobicContact CZ3-CG1 4.32Å; W730-V733 HydrophobicContact CZ3-CG2 4.23Å; W730-V733 WeakPolarHBondContact O-CB 3.09Å; W730-V733 PolarHBondContact O-N 3.26Å; W730-V733 VanDerWaalsContact O-N 3.09Å; W730-V734 WeakPolarHBondContact O-CG2 3.28Å; W730-V734 PolarHBondContact O-N 3.09Å
731	Y	93.6	Very high	91.8	Very high	69 Å²	69	53.4 Å²	53.4	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-53	-42.1	173.6	166.1	-98.8	0	0	0	111.5	Y680 W727 L729 V734 G735	Y680-Y731 HydrophobicContact CD1-CE1 4.17Å; Y680-Y731 AromaticContact CE1-CE1 3.78Å; Y680-Y731 HydrophobicContact CE1-CE1 3.78Å; Y680-Y731 AromaticContact CE1-CZ 3.83Å; W727-Y731 WeakPolarHBondContact O-CB 3.42Å; W727-Y731 PolarHBondContact O-N 3.41Å; L729-Y731 VanDerWaalsContact C-N 3.29Å; L729-Y731 PolarHBondContact O-N 3.38Å; Y731-V734 PolarHBondContact O-N 3.39Å; Y731-G735 PolarHBondContact O-N 3.05Å
732	N	93.9	Very high	92.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-39.5	178.8	-62.2	-71.5	0	0	0	112.2	Y680 D728 L729 W730 G735 L736	Y680-N732 WeakPolarHBondContact O-CB 3.49Å; D728-N732 PolarHBondContact O-ND2 2.9Å; L729-N732 PolarHBondContact O-N 3Å; W730-N732 PolarHBondContact O-N 3.13Å; N732-G735 PolarHBondContact O-N 3.48Å; N732-L736 WeakPolarHBondContact O-CG 3.44Å; N732-L736 PolarHBondContact O-N 3.23Å
733	V	96.3	Very high	92.8	Very high	15 Å²	15	55 Å²	55	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-47	174.7	175.9	0	0	0	0	110.4	F612 L615 I616 L619 W730 L736 M737	F612-V733 HydrophobicContact CE2-CG2 3.59Å; F612-V733 HydrophobicContact CZ-CG2 3.72Å; L615-V733 HydrophobicContact CD2-CG2 4.38Å; I616-V733 HydrophobicContact CD1-CG2 3.77Å; L619-V733 HydrophobicContact CD1-CB 4.42Å; L619-V733 HydrophobicContact CD1-CG1 3.59Å; W730-V733 HydrophobicContact CE3-CB 4.06Å; W730-V733 HydrophobicContact CE3-CG1 4.1Å; W730-V733 HydrophobicContact CE3-CG2 3.86Å; W730-V733 HydrophobicContact CZ3-CG1 4.32Å; W730-V733 HydrophobicContact CZ3-CG2 4.23Å; W730-V733 WeakPolarHBondContact O-CB 3.09Å; W730-V733 PolarHBondContact O-N 3.26Å; W730-V733 VanDerWaalsContact O-N 3.09Å; V733-L736 PolarHBondContact O-N 3.06Å; V733-M737 VanDerWaalsContact O-CG 3.3Å; V733-M737 WeakPolarHBondContact O-CG 3.46Å; V733-M737 PolarHBondContact O-N 3.41Å
734	V	96.4	Very high	93.2	Very high	63 Å²	63	54.4 Å²	54.4	38%	0.382	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-41.5	178.7	174.2	0	0	0	0	111	W727 W730 Y731 L736 M737 V738	W727-V734 HydrophobicContact CH2-CG2 3.89Å; W727-V734 HydrophobicContact CZ3-CG2 4.26Å; W730-V734 WeakPolarHBondContact O-CG2 3.28Å; W730-V734 PolarHBondContact O-N 3.09Å; Y731-V734 PolarHBondContact O-N 3.39Å; V734-L736 PolarHBondContact O-N 3.23Å; V734-M737 PolarHBondContact O-N 3.21Å; V734-V738 HydrophobicContact CG1-CG2 4.16Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.28Å; V734-V738 WeakPolarHBondContact O-CG2 3.3Å; V734-V738 PolarHBondContact O-N 3.32Å
735	G	95.7	Very high	93.9	Very high	9 Å²	9	52.8 Å²	52.8	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-48	174.9	0	0	0	0	0	112.6	Y731 N732 V738 I739	Y731-G735 PolarHBondContact O-N 3.05Å; N732-G735 PolarHBondContact O-N 3.48Å; G735-V738 PolarHBondContact O-N 3.09Å; G735-I739 WeakPolarHBondContact O-CG1 3.3Å; G735-I739 PolarHBondContact O-N 3.17Å; G735-I739 VanDerWaalsContact O-N 3.11Å
736	L	97.3	Very high	94.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175.8	-68.8	171.9	0	0	0	112.1	I616 L619 I677 N732 V733 V734 V738 I739 M740	I616-L736 HydrophobicContact CD1-CD1 4.03Å; I616-L736 HydrophobicContact CG2-CD1 4.37Å; L619-L736 HydrophobicContact CB-CB 4.06Å; L619-L736 HydrophobicContact CB-CD1 3.97Å; I677-L736 HydrophobicContact CB-CD2 4.47Å; I677-L736 HydrophobicContact CG2-CD2 3.67Å; N732-L736 WeakPolarHBondContact O-CG 3.44Å; N732-L736 PolarHBondContact O-N 3.23Å; V733-L736 PolarHBondContact O-N 3.06Å; V734-L736 PolarHBondContact O-N 3.23Å; L736-V738 PolarHBondContact O-N 2.85Å; L736-I739 PolarHBondContact O-N 2.99Å; L736-M740 VanDerWaalsContact O-CB 3.31Å; L736-M740 WeakPolarHBondContact O-CB 3.48Å; L736-M740 PolarHBondContact O-N 2.75Å
737	M	97.4	Very high	94.9	Very high	70 Å²	70	50.8 Å²	50.8	35%	0.345	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177.8	-74.8	-70.3	-72.2	0	0	112.5	L619 V733 V734 M740 I741	L619-M737 HydrophobicContact CD1-CG 4.24Å; L619-M737 HydrophobicContact CD1-SD 4.43Å; L619-M737 HydrophobicContact CD2-CG 4.17Å; L619-M737 HydrophobicContact CD2-SD 3.38Å; L619-M737 WeakPolarHBondContact CD2-SD 3.45Å; V733-M737 VanDerWaalsContact O-CG 3.3Å; V733-M737 WeakPolarHBondContact O-CG 3.46Å; V733-M737 PolarHBondContact O-N 3.41Å; V734-M737 PolarHBondContact O-N 3.21Å; M737-M740 HydrophobicContact CE-CE 3.86Å; M737-M740 PolarHBondContact O-N 3.28Å; M737-M740 HydrophobicContact SD-CE 3.42Å; M737-M740 WeakPolarHBondContact SD-CE 3.35Å; M737-I741 HydrophobicContact CE-CD1 4.31Å; M737-I741 WeakPolarHBondContact O-CB 3.47Å; M737-I741 WeakPolarHBondContact O-CD1 3.21Å; M737-I741 VanDerWaalsContact O-CG1 3.27Å; M737-I741 WeakPolarHBondContact O-CG1 3.19Å; M737-I741 PolarHBondContact O-N 3.47Å
738	V	97.5	Very high	95.2	Very high	88 Å²	88	46.6 Å²	46.6	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-46.6	178.6	168.7	0	0	0	0	110.7	V734 G735 L736 I741 A742	V734-V738 HydrophobicContact CG1-CG2 4.16Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.28Å; V734-V738 WeakPolarHBondContact O-CG2 3.3Å; V734-V738 PolarHBondContact O-N 3.32Å; G735-V738 PolarHBondContact O-N 3.09Å; L736-V738 PolarHBondContact O-N 2.85Å; V738-I741 PolarHBondContact O-N 3.47Å; V738-A742 VanDerWaalsContact O-CB 3.24Å; V738-A742 WeakPolarHBondContact O-CB 3.24Å; V738-A742 PolarHBondContact O-N 2.97Å
739	I	96.5	Very high	95.7	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.087	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-49.3	176.2	-68.3	172.9	0	0	0	110	A623 I677 Y680 G735 L736 I741 A742 F743	A623-I739 HydrophobicContact CB-CG2 4.4Å; I677-I739 HydrophobicContact CD1-CG2 4.21Å; I677-I739 HydrophobicContact CG1-CD1 4.28Å; I677-I739 HydrophobicContact CG1-CG2 4.03Å; Y680-I739 HydrophobicContact CD2-CD1 3.93Å; Y680-I739 HydrophobicContact CE2-CD1 3.7Å; G735-I739 WeakPolarHBondContact O-CG1 3.3Å; G735-I739 PolarHBondContact O-N 3.17Å; G735-I739 VanDerWaalsContact O-N 3.11Å; L736-I739 PolarHBondContact O-N 2.99Å; I739-I741 PolarHBondContact O-N 3Å; I739-A742 PolarHBondContact O-N 3.31Å; I739-F743 HydrophobicContact CG2-CD2 3.82Å; I739-F743 HydrophobicContact CG2-CE2 4.03Å; I739-F743 WeakPolarHBondContact O-CD2 3.47Å; I739-F743 PolarHBondContact O-N 3.32Å
740	M	96.6	Very high	96	Very high	21 Å²	21	52 Å²	52	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-52.3	178.5	179.8	-168.5	69.5	0	0	111.9	L622 A623 A626 L736 M737 A742 F743 Y744	L622-M740 HydrophobicContact CB-CG 4.29Å; L622-M740 HydrophobicContact CB-SD 3.58Å; L622-M740 VanDerWaalsContact CB-SD 3.58Å; L622-M740 HydrophobicContact CD1-SD 4.23Å; A623-M740 HydrophobicContact CB-CB 4.1Å; A626-M740 HydrophobicContact CB-CG 4.4Å; L736-M740 VanDerWaalsContact O-CB 3.31Å; L736-M740 WeakPolarHBondContact O-CB 3.48Å; L736-M740 PolarHBondContact O-N 2.75Å; M737-M740 HydrophobicContact CE-CE 3.86Å; M737-M740 PolarHBondContact O-N 3.28Å; M737-M740 HydrophobicContact SD-CE 3.42Å; M737-M740 WeakPolarHBondContact SD-CE 3.35Å; M740-A742 PolarHBondContact O-N 3.29Å; M740-F743 PolarHBondContact O-N 2.88Å; M740-Y744 HydrophobicContact CG-CD2 3.69Å; M740-Y744 HydrophobicContact CG-CE2 3.43Å; M740-Y744 VanDerWaalsContact CG-CE2 3.43Å; M740-Y744 WeakPolarHBondContact O-CB 3.38Å; M740-Y744 WeakPolarHBondContact O-CD2 3.43Å; M740-Y744 PolarHBondContact O-N 3.28Å; M740-Y744 HydrophobicContact SD-CE2 4.01Å
741	I	97	Very high	95.9	Very high	81 Å²	81	46.4 Å²	46.4	42%	0.415	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-43.6	-178.6	-70.6	162.2	0	0	0	110.8	M737 V738 I739 F743 Y744 I745	M737-I741 HydrophobicContact CE-CD1 4.31Å; M737-I741 WeakPolarHBondContact O-CB 3.47Å; M737-I741 WeakPolarHBondContact O-CD1 3.21Å; M737-I741 VanDerWaalsContact O-CG1 3.27Å; M737-I741 WeakPolarHBondContact O-CG1 3.19Å; M737-I741 PolarHBondContact O-N 3.47Å; V738-I741 PolarHBondContact O-N 3.47Å; I739-I741 PolarHBondContact O-N 3Å; I741-F743 PolarHBondContact O-N 2.84Å; I741-Y744 PolarHBondContact O-N 3.18Å; I741-I745 HydrophobicContact CG2-CD1 3.67Å; I741-I745 HydrophobicContact CG2-CG1 4.31Å; I741-I745 VanDerWaalsContact O-CG1 3.28Å; I741-I745 WeakPolarHBondContact O-CG1 3.46Å; I741-I745 PolarHBondContact O-N 3.47Å
742	A	97.4	Very high	95.8	Very high	44 Å²	44	51.3 Å²	51.3	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-49	179.7	0	0	0	0	0	111.7	V738 I739 M740 I745 L746	V738-A742 VanDerWaalsContact O-CB 3.24Å; V738-A742 WeakPolarHBondContact O-CB 3.24Å; V738-A742 PolarHBondContact O-N 2.97Å; I739-A742 PolarHBondContact O-N 3.31Å; M740-A742 PolarHBondContact O-N 3.29Å; A742-I745 PolarHBondContact O-N 2.94Å; A742-L746 WeakPolarHBondContact O-CG 3.36Å; A742-L746 PolarHBondContact O-N 2.78Å
743	F	97.2	Very high	95.6	Very high	49 Å²	49	57.3 Å²	57.3	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-32.6	179.3	-81.7	-76.5	0	0	0	113.1	A626 I627 F630 I739 M740 I741 L746 C747	A626-F743 HydrophobicContact CB-CB 3.82Å; I627-F743 HydrophobicContact CD1-CD2 4.23Å; I627-F743 HydrophobicContact CD1-CE2 3.98Å; I627-F743 HydrophobicContact CD1-CZ 4.34Å; I627-F743 HydrophobicContact CG1-CB 4.38Å; I627-F743 HydrophobicContact CG1-CD1 4.05Å; I627-F743 HydrophobicContact CG1-CD2 3.57Å; I627-F743 HydrophobicContact CG1-CE1 4.21Å; I627-F743 HydrophobicContact CG1-CE2 3.74Å; I627-F743 HydrophobicContact CG1-CG 3.73Å; I627-F743 HydrophobicContact CG1-CZ 4.06Å; I627-F743 HydrophobicContact CG2-CE1 4.45Å; F630-F743 HydrophobicContact CB-CD1 4.09Å; F630-F743 AromaticContact CD1-CD1 3.85Å; F630-F743 HydrophobicContact CD1-CD1 3.85Å; F630-F743 AromaticContact CD1-CE1 3.97Å; F630-F743 HydrophobicContact CD1-CE1 3.97Å; F630-F743 HydrophobicContact CE1-CE1 4.44Å; F630-F743 HydrophobicContact CG-CD1 4.09Å; I739-F743 HydrophobicContact CG2-CD2 3.82Å; I739-F743 HydrophobicContact CG2-CE2 4.03Å; I739-F743 WeakPolarHBondContact O-CD2 3.47Å; I739-F743 PolarHBondContact O-N 3.32Å; M740-F743 PolarHBondContact O-N 2.88Å; I741-F743 PolarHBondContact O-N 2.84Å; F743-L746 HydrophobicContact CD1-CD1 4.19Å; F743-L746 HydrophobicContact CE1-CD1 4.41Å; F743-L746 PolarHBondContact O-N 3.36Å; F743-C747 VanDerWaalsContact O-CB 3.3Å; F743-C747 WeakPolarHBondContact O-CB 3.41Å; F743-C747 PolarHBondContact O-N 2.88Å
744	Y	95.8	Very high	95.2	Very high	24 Å²	24	57.8 Å²	57.8	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-40.4	171.1	-81.3	-32.7	0	0	0	112.9	F574 V578 A626 L629 M740 I741 C747 Y748	F574-Y744 HydrophobicContact CE2-CD1 4.2Å; F574-Y744 AromaticContact CZ-CD1 3.74Å; F574-Y744 HydrophobicContact CZ-CD1 3.74Å; F574-Y744 AromaticContact CZ-CG 3.95Å; F574-Y744 HydrophobicContact CZ-CG 3.95Å; V578-Y744 HydrophobicContact CG1-CE2 4.33Å; V578-Y744 HydrophobicContact CG2-CD1 4.33Å; V578-Y744 HydrophobicContact CG2-CE1 3.95Å; A626-Y744 HydrophobicContact CB-CD1 3.63Å; A626-Y744 HydrophobicContact CB-CD2 4.15Å; A626-Y744 HydrophobicContact CB-CE1 3.54Å; A626-Y744 HydrophobicContact CB-CE2 4.09Å; A626-Y744 HydrophobicContact CB-CG 3.93Å; L629-Y744 HydrophobicContact CD1-CD1 4.43Å; L629-Y744 HydrophobicContact CD1-CE1 3.87Å; M740-Y744 HydrophobicContact CG-CD2 3.69Å; M740-Y744 HydrophobicContact CG-CE2 3.43Å; M740-Y744 VanDerWaalsContact CG-CE2 3.43Å; M740-Y744 WeakPolarHBondContact O-CB 3.38Å; M740-Y744 WeakPolarHBondContact O-CD2 3.43Å; M740-Y744 PolarHBondContact O-N 3.28Å; M740-Y744 HydrophobicContact SD-CE2 4.01Å; I741-Y744 PolarHBondContact O-N 3.18Å; Y744-C747 PolarHBondContact O-N 3.43Å; Y744-Y748 WeakPolarHBondContact O-CB 3.17Å; Y744-Y748 PolarHBondContact O-N 3.33Å
745	I	96.9	Very high	94.4	Very high	98 Å²	98	59.6 Å²	59.6	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-46.3	173.5	-69.3	167.6	0	0	0	110.1	I741 A742 C747 Y748 V749	I741-I745 HydrophobicContact CG2-CD1 3.67Å; I741-I745 HydrophobicContact CG2-CG1 4.31Å; I741-I745 VanDerWaalsContact O-CG1 3.28Å; I741-I745 WeakPolarHBondContact O-CG1 3.46Å; I741-I745 PolarHBondContact O-N 3.47Å; A742-I745 PolarHBondContact O-N 2.94Å; I745-C747 VanDerWaalsContact C-N 3.34Å; I745-C747 PolarHBondContact O-N 3.38Å; I745-Y748 PolarHBondContact O-N 2.64Å; I745-V749 HydrophobicContact CG2-CG2 4.29Å; I745-V749 WeakPolarHBondContact O-CB 3.4Å; I745-V749 VanDerWaalsContact O-CG2 3.28Å; I745-V749 WeakPolarHBondContact O-CG2 3.3Å; I745-V749 PolarHBondContact O-N 3.02Å
746	L	96.7	Very high	93.5	Very high	82 Å²	82	62 Å²	62	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-43.1	177	-70.8	173.3	0	0	0	112	F630 A742 F743 V749 R750	F630-L746 HydrophobicContact CD2-CB 3.67Å; F630-L746 HydrophobicContact CE2-CB 3.77Å; F630-L746 HydrophobicContact CG-CB 4.35Å; A742-L746 WeakPolarHBondContact O-CG 3.36Å; A742-L746 PolarHBondContact O-N 2.78Å; F743-L746 HydrophobicContact CD1-CD1 4.19Å; F743-L746 HydrophobicContact CE1-CD1 4.41Å; F743-L746 PolarHBondContact O-N 3.36Å; L746-V749 PolarHBondContact O-N 3.28Å; L746-R750 WeakPolarHBondContact O-CB 3.46Å; L746-R750 PolarHBondContact O-N 3.39Å
747	C	95.1	Very high	92.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-48.6	175.1	-176.8	0	0	0	0	111.3	F574 F630 F743 Y744 I745 V749 R750 L751	F574-C747 HydrophobicContact CE2-CB 4.14Å; F630-C747 HydrophobicContact CB-CB 4.18Å; F743-C747 VanDerWaalsContact O-CB 3.3Å; F743-C747 WeakPolarHBondContact O-CB 3.41Å; F743-C747 PolarHBondContact O-N 2.88Å; Y744-C747 PolarHBondContact O-N 3.43Å; I745-C747 VanDerWaalsContact C-N 3.34Å; I745-C747 PolarHBondContact O-N 3.38Å; C747-V749 PolarHBondContact O-N 2.91Å; C747-R750 PolarHBondContact O-N 2.87Å; C747-L751 WeakPolarHBondContact O-CG 3.03Å; C747-L751 PolarHBondContact O-N 3.24Å
748	Y	95.4	Very high	91	Very high	65 Å²	65	68.5 Å²	68.5	26%	0.255	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-45.5	177.6	172.2	-105.1	0	0	0	112.4	V570 F574 Y744 I745 R750 L751 R752	V570-Y748 HydrophobicContact CG1-CE2 4.26Å; F574-Y748 HydrophobicContact CB-CD2 4.27Å; F574-Y748 HydrophobicContact CD1-CD2 4.42Å; F574-Y748 HydrophobicContact CG-CD2 4.28Å; Y744-Y748 WeakPolarHBondContact O-CB 3.17Å; Y744-Y748 PolarHBondContact O-N 3.33Å; I745-Y748 PolarHBondContact O-N 2.64Å; Y748-R750 VanDerWaalsContact C-N 3.3Å; Y748-R750 PolarHBondContact O-N 3.34Å; Y748-L751 PolarHBondContact O-N 2.04Å; Y748-R752 WeakPolarHBondContact O-CB 3.03Å; Y748-R752 PolarHBondContact O-N 2.88Å
749	V	95.7	Very high	90.7	Very high	66 Å²	66	67.5 Å²	67.5	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-43.8	176.1	170.3	0	0	0	0	110.1	I745 L746 C747 L751 R752 L753	I745-V749 HydrophobicContact CG2-CG2 4.29Å; I745-V749 WeakPolarHBondContact O-CB 3.4Å; I745-V749 VanDerWaalsContact O-CG2 3.28Å; I745-V749 WeakPolarHBondContact O-CG2 3.3Å; I745-V749 PolarHBondContact O-N 3.02Å; L746-V749 PolarHBondContact O-N 3.28Å; C747-V749 PolarHBondContact O-N 2.91Å; V749-L751 PolarHBondContact O-N 2.87Å; V749-R752 PolarHBondContact O-N 3.27Å; V749-L753 HydrophobicContact CG1-CD1 3.74Å; V749-L753 HydrophobicContact CG1-CG 4.28Å; V749-L753 WeakPolarHBondContact O-CB 3.35Å; V749-L753 VanDerWaalsContact O-CG 3.32Å; V749-L753 WeakPolarHBondContact O-CG 3.26Å; V749-L753 PolarHBondContact O-N 3.39Å
750	R	94	Very high	90.4	Very high	106 Å²	106	70.2 Å²	70.2	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-42.8	178.1	-173.9	58	177.9	170.6	-2.2	112.4	A633 L746 C747 Y748 R752 L753 L754	A633-R750 HydrophobicContact CB-CB 4.5Å; A633-R750 HydrophobicContact CB-CG 4.25Å; L746-R750 WeakPolarHBondContact O-CB 3.46Å; L746-R750 PolarHBondContact O-N 3.39Å; C747-R750 PolarHBondContact O-N 2.87Å; Y748-R750 VanDerWaalsContact C-N 3.3Å; Y748-R750 PolarHBondContact O-N 3.34Å; R750-R752 VanDerWaalsContact C-N 3.31Å; R750-R752 PolarHBondContact O-N 3.44Å; R750-L753 PolarHBondContact O-N 3.01Å; R750-L754 PolarHBondContact O-N 2.8Å; R750-L754 VanDerWaalsContact O-N 3.08Å
751	L	91.6	Very high	90.1	Very high	8 Å²	8	72.9 Å²	72.9	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-35.4	175.3	-71.6	172.6	0	0	0	112.3	F552 F559 V570 F574 A633 C747 Y748 V749 L754	F552-L751 HydrophobicContact CE1-CD1 4.18Å; F552-L751 HydrophobicContact CE2-CD1 4.36Å; F552-L751 HydrophobicContact CZ-CD1 3.93Å; F559-L751 HydrophobicContact CE1-CD2 4.21Å; V570-L751 HydrophobicContact CG1-CB 3.81Å; F574-L751 HydrophobicContact CB-CD1 4.48Å; F574-L751 HydrophobicContact CD2-CD1 3.98Å; A633-L751 HydrophobicContact CB-CD2 4.1Å; A633-L751 HydrophobicContact CB-CG 4.21Å; C747-L751 WeakPolarHBondContact O-CG 3.03Å; C747-L751 PolarHBondContact O-N 3.24Å; Y748-L751 PolarHBondContact O-N 2.04Å; V749-L751 PolarHBondContact O-N 2.87Å; L751-L754 WeakPolarHBondContact O-CB 3.39Å
752	R	91	Very high	89.7	Confident	172 Å²	172	72.4 Å²	72.4	65%	0.649	34%	0.341	S	S	*	.	H	α-helix	trans	-71.1	-37.2	177.6	-170.2	179.8	-179.3	-174.2	1.2	112.4	Y748 V749 R750 L754	Y748-R752 WeakPolarHBondContact O-CB 3.03Å; Y748-R752 PolarHBondContact O-N 2.88Å; V749-R752 PolarHBondContact O-N 3.27Å; R750-R752 VanDerWaalsContact C-N 3.31Å; R750-R752 PolarHBondContact O-N 3.44Å; R752-L754 VanDerWaalsContact C-N 3.29Å
753	L	90.7	Very high	89.2	Confident	126 Å²	126	74.2 Å²	74.2	66%	0.66	34%	0.339	S	S	*	.	H	α-helix	trans	-81.7	-6.6	178.4	-66	176.4	0	0	0	113.4	V749 R750 N755	V749-L753 HydrophobicContact CG1-CD1 3.74Å; V749-L753 HydrophobicContact CG1-CG 4.28Å; V749-L753 WeakPolarHBondContact O-CB 3.35Å; V749-L753 VanDerWaalsContact O-CG 3.32Å; V749-L753 WeakPolarHBondContact O-CG 3.26Å; V749-L753 PolarHBondContact O-N 3.39Å; R750-L753 PolarHBondContact O-N 3.01Å; L753-N755 PolarHBondContact O-N 3.26Å
754	L	86.9	Confident	88.7	Confident	25 Å²	25	75.9 Å²	75.9	13%	0.131	35%	0.348	C	S	.	.	S	Bend	trans	-58.8	127.7	178.1	-165.1	78	0	0	0	109.7	F559 I560 R750 L751 R752 K756	F559-L754 HydrophobicContact CD1-CD2 4.32Å; F559-L754 HydrophobicContact CE1-CD2 4.07Å; I560-L754 HydrophobicContact CD1-CD2 3.94Å; I560-L754 HydrophobicContact CG1-CD2 3.78Å; R750-L754 PolarHBondContact O-N 2.8Å; R750-L754 VanDerWaalsContact O-N 3.08Å; L751-L754 WeakPolarHBondContact O-CB 3.39Å; R752-L754 VanDerWaalsContact C-N 3.29Å; L754-K756 WeakPolarHBondContact O-CG 3.16Å; L754-K756 PolarHBondContact O-N 3.08Å
755	N	79.2	Confident	88.1	Confident	101 Å²	101	79.6 Å²	79.6	54%	0.54	37%	0.366	S	S	.	.			trans	-65.1	122.7	175.4	-169.7	0.6	0	0	0	109.2	L753 Y757	L753-N755 PolarHBondContact O-N 3.26Å; N755-Y757 WeakPolarHBondContact OD1-CB 3.46Å; N755-Y757 WeakPolarHBondContact OD1-CD2 3.44Å; N755-Y757 PolarHBondContact OD1-N 3.17Å
756	K	77.6	Confident	87.5	Confident	60 Å²	60	78.2 Å²	78.2	26%	0.261	36%	0.355	S	S	.	.			trans	-103.2	-0.6	178.8	-53.4	-177.3	-172.4	-179.3	0	112.5	S563 L754	S563-K756 PolarHBondContact OG-NZ 2.87Å; L754-K756 WeakPolarHBondContact O-CG 3.16Å; L754-K756 PolarHBondContact O-N 3.08Å
757	Y	75.7	Confident	86.7	Confident	92 Å²	92	77.8 Å²	77.8	36%	0.361	35%	0.349	S	S	.	.			trans	-72.8	144.4	169.8	-63	-72	0	0	0	109.2	R193 K194 D195 N755	R193-Y757 WeakPolarHBondContact O-CD1 3.33Å; K194-Y757 VanDerWaalsContact C-CD1 3.46Å; K194-Y757 VanDerWaalsContact O-CD1 3.31Å; K194-Y757 WeakPolarHBondContact O-CD1 3.32Å; K194-Y757 WeakPolarHBondContact O-CE1 3.21Å; D195-Y757 HydrophobicContact CB-CD2 4.13Å; D195-Y757 HydrophobicContact CB-CG 4.15Å; N755-Y757 WeakPolarHBondContact OD1-CB 3.46Å; N755-Y757 WeakPolarHBondContact OD1-CD2 3.44Å; N755-Y757 PolarHBondContact OD1-N 3.17Å
758	K	67.6	Low	85.9	Confident	113 Å²	113	84.9 Å²	84.9	49%	0.491	38%	0.381	S	S	.	.			trans	-88.9	0	-175	-146.3	-159.1	177	-155.9	0	111.5	D188 R193 K194 Y220 D307	D188-K758 WeakPolarHBondContact OD1-CD 3.47Å; D188-K758 IonicContact OD1-NZ 3.83Å; D188-K758 PolarHBondContact OD1-NZ 3.03Å; D188-K758 WeakPolarHBondContact OD2-CD 3.33Å; D188-K758 IonicContact OD2-NZ 2.67Å; R193-K758 PolarHBondContact O-N 3.46Å; K194-K758 WeakPolarHBondContact CD-O 3.24Å; K194-K758 PolarHBondContact NZ-O 2.83Å; K194-K758 PolarHBondContact NZ-OXT 3.11Å; Y220-K758 PolarHBondContact OH-NZ 3.41Å; Y220-K758 VanDerWaalsContact OH-NZ 3.08Å; D307-K758 IonicContact OD2-NZ 3.72Å; D307-K758 PolarHBondContact OD2-NZ 2.74Å

Retrieved 758 of 758 residues in 280.7 ms (Link to these results)

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