A0A5K4F5X0_SCHMA Loading...

RING-CH-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5X0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 553 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	34.1	Very low	34	Very low	250 Å²	250	145.5 Å²	145.5	100%	1.232	82%	0.819	S	S	*	*				0	103.5	0	-78.3	170	169.7	0	0	107.6
2	N	29.7	Very low	34.2	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	81%	0.812	S	S	*	*			trans	-72.7	129.6	173.2	-95	-25.4	0	0	0	109.4
3	I	37.3	Very low	34.2	Very low	171 Å²	171	147.5 Å²	147.5	88%	0.877	81%	0.81	S	S	*	*			trans	-145	119.8	139.1	-57.2	-174.2	0	0	0	108.2
4	T	37	Very low	34.1	Very low	118 Å²	118	148.7 Å²	148.7	72%	0.724	81%	0.808	S	S	*	*			trans	-76.2	158.1	-179.4	42.7	0	0	0	0	113.3
5	N	33.9	Very low	33.6	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	80%	0.802	S	S	*	*			trans	-41.9	164.3	171.1	-68.3	-36	0	0	0	115.2
6	P	40.1	Very low	33.5	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	80%	0.802	S	S	*	*				-137.1	136.2	114.3	33.5	-19.7	0	0	0	114.2
7	C	32.5	Very low	33.2	Very low	113 Å²	113	142.2 Å²	142.2	76%	0.764	80%	0.797	S	S	*	*			trans	-65	136.5	162.5	-60.7	0	0	0	0	110.1
8	I	33.5	Very low	33	Very low	145 Å²	145	144.6 Å²	144.6	74%	0.744	80%	0.8	S	S	*	*			trans	-114.3	107.7	163.6	-69.1	173.9	0	0	0	107.8	I10	I8-I10 HydrophobicContact CG2-CD1 4.05Å; I8-I10 HydrophobicContact CG2-CG1 3.87Å
9	T	32.3	Very low	32.8	Very low	131 Å²	131	142.1 Å²	142.1	80%	0.804	79%	0.793	S	S	*	*			trans	-84.7	127.6	164	45.8	0	0	0	0	109
10	I	33.8	Very low	32.7	Very low	155 Å²	155	140.9 Å²	140.9	80%	0.795	79%	0.79	S	S	*	*			trans	-125.7	116	164.4	-61.5	175.1	0	0	0	108.1	I8	I8-I10 HydrophobicContact CG2-CD1 4.05Å; I8-I10 HydrophobicContact CG2-CG1 3.87Å
11	S	30.1	Very low	32.5	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	79%	0.793	S	S	*	*			trans	-92.2	153.4	169.5	-178.6	0	0	0	0	109
12	P	36.4	Very low	32.5	Very low	113 Å²	113	140.5 Å²	140.5	73%	0.734	78%	0.775	S	S	*	*			trans	-90.8	144.4	-163.4	34.9	-30.3	0	0	0	113
13	Y	33.5	Very low	32.5	Very low	203 Å²	203	140.3 Å²	140.3	80%	0.796	77%	0.774	S	S	*	*			trans	-138.9	119.7	166.8	-100.6	-88.5	0	0	0	111.4
14	Q	33.4	Very low	32.2	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	77%	0.77	S	S	*	*			trans	45.9	121.3	137.7	-75.1	174.5	-26.2	0	0	122
15	S	27.2	Very low	32.2	Very low	104 Å²	104	141.8 Å²	141.8	73%	0.727	77%	0.771	S	S	*	*				62.6	115.7	126.5	-165.9	0	0	0	0	118.8
16	T	31.8	Very low	32.2	Very low	131 Å²	131	142 Å²	142	80%	0.804	77%	0.772	S	S	*	*				-165.1	133.6	108	29.3	0	0	0	0	110.4
17	S	27.5	Very low	31.9	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	77%	0.774	S	S	*	*			trans	-63.8	129.7	173.8	47.6	0	0	0	0	112.8
18	H	30.8	Very low	31.7	Very low	184 Å²	184	148 Å²	148	85%	0.852	78%	0.779	S	S	*	*			trans	-134.2	102.4	149.5	-91	-94.2	0	0	0	108.8
19	S	28.4	Very low	31.6	Very low	97 Å²	97	147.9 Å²	147.9	68%	0.678	78%	0.778	S	S	*	*			trans	-74.7	123.8	166.5	43.3	0	0	0	0	108.9
20	V	31.4	Very low	31.4	Very low	119 Å²	119	146.8 Å²	146.8	72%	0.721	78%	0.776	S	S	*	*			trans	-118.2	104.7	162.2	178.8	0	0	0	0	106.9	L22	V20-L22 PolarHBondContact O-N 3.38Å
21	Y	27.8	Very low	31.3	Very low	218 Å²	218	143.7 Å²	143.7	86%	0.855	77%	0.768	S	S	*	*			trans	-67.2	116.9	166.9	-80	-98.8	0	0	0	108.3
22	L	33.2	Very low	31.4	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	77%	0.773	S	S	*	*			trans	-117.9	128.6	157.7	-87.4	169.8	0	0	0	109.9	V20	V20-L22 PolarHBondContact O-N 3.38Å
23	N	30.6	Very low	31	Very low	152 Å²	152	150.5 Å²	150.5	81%	0.813	77%	0.774	S	S	*	*			trans	-67.1	139.9	-162.9	-168.3	5.7	0	0	0	112.3	N25	N23-N25 PolarHBondContact O-N 3.5Å
24	K	30.9	Very low	31	Very low	181 Å²	181	151.8 Å²	151.8	79%	0.787	78%	0.778	S	S	*	*			trans	-57	124.2	163.2	-91.3	172.4	171	171.2	0	108.7
25	N	36.7	Very low	30.8	Very low	140 Å²	140	152.1 Å²	152.1	75%	0.749	77%	0.773	S	S	*	*				-179.5	136.9	128.2	-85.5	-20	0	0	0	109.3	N23	N23-N25 PolarHBondContact O-N 3.5Å
26	N	34.3	Very low	30.9	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	78%	0.775	S	S	*	*			trans	68	96.4	166.8	-58.7	-19.8	0	0	0	116.8
27	I	33.3	Very low	31	Very low	155 Å²	155	151.3 Å²	151.3	80%	0.795	77%	0.768	S	S	*	*				-170.2	115.2	116.1	-85.2	144.8	0	0	0	106.8	I29	I27-I29 HydrophobicContact CG2-CD1 3.99Å; I27-I29 HydrophobicContact CG2-CG1 3.88Å
28	K	28.2	Very low	31.3	Very low	201 Å²	201	152 Å²	152	87%	0.874	76%	0.763	S	S	*	*			trans	-101.7	93.2	-177.8	-157.5	-176.9	-167.5	-176.5	0	106.5
29	I	32.2	Very low	31.4	Very low	142 Å²	142	152.9 Å²	152.9	73%	0.728	76%	0.76	S	S	*	*			trans	-117.7	86	167.8	-59.3	177.5	0	0	0	107.7	I27	I27-I29 HydrophobicContact CG2-CD1 3.99Å; I27-I29 HydrophobicContact CG2-CG1 3.88Å
30	S	27.1	Very low	31.5	Very low	108 Å²	108	154 Å²	154	76%	0.755	77%	0.765	S	S	*	*			trans	-94.1	102.2	164.2	54.8	0	0	0	0	108.3
31	S	32.3	Very low	31.8	Very low	89 Å²	89	156.6 Å²	156.6	62%	0.622	77%	0.773	S	S	*	*			trans	-146.8	53.8	164.2	67.3	0	0	0	0	112	R33	S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 3.44Å
32	I	31.9	Very low	31.9	Very low	158 Å²	158	154.9 Å²	154.9	81%	0.81	77%	0.77	S	S	*	*			trans	-82.4	86.8	155.5	-63	176	0	0	0	106.3	R34	I32-R34 HydrophobicContact CG2-CG 4.38Å; I32-R34 PolarHBondContact O-N 3.24Å
33	R	29	Very low	31.8	Very low	198 Å²	198	154.1 Å²	154.1	75%	0.747	77%	0.767	S	S	*	*			trans	-71.2	90.8	172.4	-89.9	172.8	170	-162.6	7.3	109.4	S31 Y35	S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 3.44Å; R33-Y35 HydrophobicContact CB-CD2 4.15Å; R33-Y35 HydrophobicContact CB-CE2 4.17Å; R33-Y35 HydrophobicContact CG-CD2 4.25Å; R33-Y35 HydrophobicContact CG-CE2 3.76Å
34	R	32.1	Very low	32	Very low	231 Å²	231	153.9 Å²	153.9	87%	0.872	77%	0.771	S	S	*	*			trans	-90.6	96.9	153.9	-72.9	-173.9	-173	168.4	3.7	107.8	I32 S36	I32-R34 HydrophobicContact CG2-CG 4.38Å; I32-R34 PolarHBondContact O-N 3.24Å; R34-S36 PolarHBondContact O-N 3.46Å
35	Y	29.9	Very low	32.2	Very low	171 Å²	171	152.7 Å²	152.7	67%	0.671	77%	0.772	S	S	*	*			trans	-80.9	106.9	169.2	-85.3	-80.6	0	0	0	109.5	R33	R33-Y35 HydrophobicContact CB-CD2 4.15Å; R33-Y35 HydrophobicContact CB-CE2 4.17Å; R33-Y35 HydrophobicContact CG-CD2 4.25Å; R33-Y35 HydrophobicContact CG-CE2 3.76Å
36	S	29.2	Very low	31.7	Very low	111 Å²	111	153 Å²	153	78%	0.776	77%	0.774	S	S	*	*			trans	-146.8	90.5	154.5	-156.6	0	0	0	0	107.2	R34	R34-S36 PolarHBondContact O-N 3.46Å
37	T	33.1	Very low	31.7	Very low	108 Å²	108	154.4 Å²	154.4	66%	0.663	78%	0.779	S	S	*	*			trans	-129.1	113.1	171.8	29.2	0	0	0	0	108.3
38	I	34.1	Very low	31.4	Very low	116 Å²	116	154.2 Å²	154.2	60%	0.595	77%	0.774	S	S	*	*			trans	-100.1	122.7	171.8	-63.3	174.7	0	0	0	105.8	L339	I38-L339 HydrophobicContact CG2-CD1 4.48Å
39	Y	32.8	Very low	31.8	Very low	201 Å²	201	153.7 Å²	153.7	79%	0.788	78%	0.775	S	S	*	*			trans	-106.3	139.3	167.3	-78.9	-85.9	0	0	0	109
40	P	31.3	Very low	32	Very low	121 Å²	121	155.4 Å²	155.4	79%	0.786	78%	0.777	S	S	*	*			trans	-95.4	130.8	174.6	34.5	-26.6	0	0	0	110.8
41	I	37.8	Very low	32.4	Very low	173 Å²	173	156.8 Å²	156.8	89%	0.887	78%	0.776	S	S	*	*			trans	-117.3	128.5	162.6	-63.5	179.3	0	0	0	107.9
42	K	30.4	Very low	32.6	Very low	182 Å²	182	161.9 Å²	161.9	79%	0.791	79%	0.787	S	S	*	*			trans	-74.4	154	-175.7	-70.7	175.6	174.1	179.5	0	112.3
43	N	31.4	Very low	32.7	Very low	148 Å²	148	162.7 Å²	162.7	79%	0.791	79%	0.787	S	S	*	*			trans	72.8	113.7	160.5	-60.1	-2.3	0	0	0	116.8
44	T	34.8	Very low	32.8	Very low	148 Å²	148	163.9 Å²	163.9	91%	0.908	79%	0.793	S	S	*	*				-171.7	143.2	116.5	-64.9	0	0	0	0	110.9
45	L	33.1	Very low	32.8	Very low	155 Å²	155	159.2 Å²	159.2	81%	0.812	79%	0.79	S	S	*	*			trans	-47.5	137.5	-172.7	-121.9	89	0	0	0	119
46	L	26.3	Very low	32.9	Very low	148 Å²	148	156.4 Å²	156.4	78%	0.775	80%	0.796	S	S	*	*			trans	4.3	121.6	141.2	-77.2	152.4	0	0	0	119.9
47	I	35.3	Very low	33.1	Very low	178 Å²	178	156.8 Å²	156.8	91%	0.913	80%	0.796	S	S	*	*			trans	-143.3	129.3	132.7	-58.1	-174.5	0	0	0	109.4
48	H	27.3	Very low	33	Very low	151 Å²	151	161 Å²	161	70%	0.699	81%	0.805	S	S	*	*			trans	-82.7	129.2	-173.1	-163.7	-103.7	0	0	0	111.4
49	H	36.3	Very low	33.1	Very low	190 Å²	190	163.3 Å²	163.3	88%	0.88	82%	0.817	S	S	*	*			trans	-149.5	122.7	160.3	-137.5	-83.8	0	0	0	112
50	K	37.2	Very low	32.9	Very low	179 Å²	179	160.4 Å²	160.4	78%	0.778	82%	0.815	S	S	*	*			trans	-61	150.5	-174.1	-84.8	178	168.5	-178.9	0	114.3
51	D	34.5	Very low	33.1	Very low	136 Å²	136	164.5 Å²	164.5	73%	0.727	82%	0.82	S	S	*	*			trans	-61.4	146.4	-172.9	-62.1	-74.1	0	0	0	117.3
52	K	35.9	Very low	33	Very low	197 Å²	197	164 Å²	164	86%	0.857	82%	0.818	S	S	*	*			trans	-136	106.9	146.1	-77	-170.3	177.4	-176.3	0	108.8
53	Q	34.1	Very low	32.9	Very low	175 Å²	175	165.3 Å²	165.3	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.9	126.1	170.8	-69	-179.5	18.9	0	0	109.5
54	Y	32.1	Very low	32.9	Very low	222 Å²	222	164 Å²	164	87%	0.871	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-91	119.4	167	-90.6	-90.2	0	0	0	109.2
55	T	32.7	Very low	32.7	Very low	133 Å²	133	161.6 Å²	161.6	82%	0.816	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.1	136.7	168.7	51.2	0	0	0	0	109.9
56	S	30.8	Very low	32.7	Very low	112 Å²	112	160.2 Å²	160.2	78%	0.783	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.6	147.4	170.8	-83.4	0	0	0	0	111
57	P	32.9	Very low	32.9	Very low	119 Å²	119	165.2 Å²	165.2	77%	0.773	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.9	130.5	-169.9	30.2	-32.9	0	0	0	112.3
58	K	32.6	Very low	32.6	Very low	198 Å²	198	160.8 Å²	160.8	86%	0.861	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.5	121.9	164.1	-76.1	176.9	178.7	172.3	0	108.7	N60	K58-N60 PolarHBondContact O-N 3.11Å
59	I	35.4	Very low	32.9	Very low	163 Å²	163	163.8 Å²	163.8	84%	0.836	83%	0.826	S	S	*	*			trans	-79.8	115.1	170.3	-65.8	173.1	0	0	0	108.3
60	N	29	Very low	32.7	Very low	140 Å²	140	160.6 Å²	160.6	75%	0.749	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69.9	131.9	174.8	-72	-23.2	0	0	0	111.2	K58	K58-N60 PolarHBondContact O-N 3.11Å
61	K	36	Very low	32.7	Very low	207 Å²	207	158.8 Å²	158.8	90%	0.9	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-101.8	119.8	161.9	-92.1	-172.6	176.2	-177.4	0	109.4
62	L	34.2	Very low	32.9	Very low	162 Å²	162	159.8 Å²	159.8	85%	0.848	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-56.4	145.5	174.9	-84.2	80.1	0	0	0	112.6
63	K	29.2	Very low	33	Very low	210 Å²	210	155.1 Å²	155.1	91%	0.913	81%	0.809	S	S	*	*			trans	-106.6	121.1	174.5	-161	174.1	-172.9	-179.2	0	107.5
64	C	30.4	Very low	33.2	Very low	120 Å²	120	153.8 Å²	153.8	81%	0.811	81%	0.808	S	S	*	*			trans	-121.5	127.2	166.2	-74.9	0	0	0	0	109.1
65	A	31.1	Very low	33.5	Very low	98 Å²	98	151 Å²	151	81%	0.81	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84	152.3	178.7	0	0	0	0	0	111.7
66	P	33.5	Very low	33.8	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-103.9	143.4	168	34.5	-24.6	0	0	0	112.5
67	R	30.8	Very low	34	Very low	253 Å²	253	152.1 Å²	152.1	96%	0.955	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.8	140.8	170.3	-92.3	178.5	171.5	177.2	-3	111
68	S	29.3	Very low	34.2	Very low	86 Å²	86	154 Å²	154	60%	0.601	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.3	146.6	170.5	168.7	0	0	0	0	112.8
69	F	33.5	Very low	34.4	Very low	213 Å²	213	152.2 Å²	152.2	93%	0.934	79%	0.788	S	S	*	*			trans	-148.5	124	134.9	-109.8	-81.5	0	0	0	110
70	N	32.4	Very low	34.3	Very low	123 Å²	123	152.1 Å²	152.1	66%	0.658	79%	0.789	S	S	*	*			trans	-70.9	153.3	176.5	-66.1	-30.6	0	0	0	112.1
71	N	36.8	Very low	34.4	Very low	141 Å²	141	153.3 Å²	153.3	75%	0.754	80%	0.796	S	S	*	*				169.7	106.3	108.1	-82.6	-19.7	0	0	0	110.9
72	D	38.8	Very low	34.4	Very low	157 Å²	157	151.8 Å²	151.8	84%	0.84	79%	0.792	S	S	*	*				59.3	152.3	128.6	-80.3	-13.9	0	0	0	124.7
73	P	37.9	Very low	34.3	Very low	99 Å²	99	155.2 Å²	155.2	64%	0.643	80%	0.795	S	S	*	*			trans	-119	175	-147.1	40.4	-24.5	0	0	0	113.1
74	D	38.2	Very low	34.7	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	79%	0.787	S	S	*	*			trans	178.5	150.3	130.8	-93.6	-29.8	0	0	0	113.1
75	H	38	Very low	35	Very low	162 Å²	162	152.2 Å²	152.2	75%	0.75	78%	0.784	S	S	*	*			trans	85.1	104.1	159.7	-79.7	-38.9	0	0	0	123.3
76	Q	40.2	Very low	35.2	Very low	141 Å²	141	154.8 Å²	154.8	66%	0.659	78%	0.784	S	S	*	*				68.9	112.3	108.6	-135.6	81.7	33.5	0	0	120.6
77	D	32.9	Very low	35.3	Very low	129 Å²	129	153.5 Å²	153.5	69%	0.69	78%	0.784	S	S	*	*			trans	30.6	115.2	136.2	-46.3	-31.3	0	0	0	118.9
78	D	37.7	Very low	35.5	Very low	159 Å²	159	147.2 Å²	147.2	85%	0.85	78%	0.777	S	S	*	*				-168.3	149.3	111.9	-124.5	-28.7	0	0	0	113.6
79	H	37.2	Very low	35.7	Very low	160 Å²	160	155 Å²	155	74%	0.741	79%	0.793	S	S	*	*			trans	-57.8	140.7	171.3	-88.7	-91.9	0	0	0	111.9
80	N	33.9	Very low	35.8	Very low	161 Å²	161	150.8 Å²	150.8	86%	0.861	79%	0.787	S	S	*	*			trans	-174.1	127.9	131.3	-90.7	-33.7	0	0	0	111.8	E82	N80-E82 PolarHBondContact O-N 3.41Å
81	D	31.5	Very low	35.9	Very low	165 Å²	165	150.9 Å²	150.9	88%	0.882	80%	0.797	S	S	*	*			trans	-66.5	120.3	167.7	-68.6	-56.1	0	0	0	109.8
82	E	35.2	Very low	35.7	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	79%	0.786	S	S	*	*			trans	-138.7	114.9	163.3	-159.6	171.6	165.2	0	0	111.4	N80 V84	N80-E82 PolarHBondContact O-N 3.41Å; E82-V84 PolarHBondContact O-N 3.32Å
83	Y	32.8	Very low	35.7	Very low	233 Å²	233	151.4 Å²	151.4	91%	0.914	79%	0.789	S	S	*	*			trans	-56.8	118.1	165.4	-97.4	-106	0	0	0	110.2
84	V	35.7	Very low	35.6	Very low	125 Å²	125	153.2 Å²	153.2	76%	0.758	79%	0.787	S	S	*	*			trans	-132.3	108.8	160.5	-177.1	0	0	0	0	110.9	E82	E82-V84 PolarHBondContact O-N 3.32Å
85	L	37.3	Very low	35.6	Very low	142 Å²	142	151.1 Å²	151.1	74%	0.743	78%	0.776	S	S	*	*			trans	-59.4	150.8	163.8	-161.5	78.3	0	0	0	110.3
86	N	35.1	Very low	36	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	77%	0.774	S	S	*	*			trans	117.1	98.5	160.4	-55.7	-36.5	0	0	0	115.4
87	A	36.6	Very low	36.4	Very low	99 Å²	99	149 Å²	149	82%	0.818	77%	0.77	S	S	*	*			trans	-144.7	148.1	153.4	0	0	0	0	0	109.9
88	P	35.5	Very low	36.8	Very low	122 Å²	122	148.7 Å²	148.7	79%	0.792	77%	0.768	S	S	*	*			trans	-91.4	154.1	-147	0.5	19.4	0	0	0	114.7
89	R	33	Very low	37.2	Very low	250 Å²	250	146 Å²	146	94%	0.943	75%	0.753	S	S	*	*			trans	-72.9	133.7	169.9	-85.1	-176.5	-175.9	-175.7	1.1	111.8
90	P	34.1	Very low	37.4	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	75%	0.747	S	S	*	*			trans	-107.8	138.8	160.2	10.3	10.8	0	0	0	112.6
91	S	35.9	Very low	37.7	Very low	126 Å²	126	144.4 Å²	144.4	88%	0.881	74%	0.741	S	S	*	*			trans	-73.1	143.3	-172.9	-39.2	0	0	0	0	114.3
92	L	33	Very low	38.4	Very low	99 Å²	99	140.8 Å²	140.8	52%	0.518	73%	0.725	S	S	.	*			trans	-93.6	122.3	175.1	-117.7	116	0	0	0	112	F94 E529	L92-F94 HydrophobicContact CD2-CD2 4.28Å; L92-F94 HydrophobicContact CD2-CE2 4.02Å; L92-F94 HydrophobicContact CD2-CZ 4.47Å; L92-E529 HydrophobicContact CD1-CG 4.26Å; L92-E529 WeakPolarHBondContact CD1-OE1 3.45Å; L92-E529 WeakPolarHBondContact CD1-OE2 3.22Å; L92-E529 VanDerWaalsContact CD2-CD 3.47Å; L92-E529 WeakPolarHBondContact CD2-OE1 3.4Å; L92-E529 WeakPolarHBondContact CD2-OE2 3.1Å
93	K	38.1	Very low	39	Very low	210 Å²	210	139.4 Å²	139.4	91%	0.913	72%	0.716	S	S	*	*			trans	-94.8	114.6	163	-92.6	-179.4	172.2	179.5	0	108.3
94	F	36.6	Very low	39.8	Very low	137 Å²	137	136 Å²	136	60%	0.601	71%	0.706	S	S	*	*			trans	-73.5	132	170	-88.6	-94.5	0	0	0	110.1	L92 T531	L92-F94 HydrophobicContact CD2-CD2 4.28Å; L92-F94 HydrophobicContact CD2-CE2 4.02Å; L92-F94 HydrophobicContact CD2-CZ 4.47Å; F94-T531 HydrophobicContact CZ-CG2 4.16Å
95	N	36.9	Very low	40.4	Very low	104 Å²	104	135.9 Å²	135.9	56%	0.556	70%	0.697	S	S	*	*			trans	-89.1	115.2	170.8	-171.2	2.7	0	0	0	108.9	D97	N95-D97 VanDerWaalsContact C-N 3.25Å; N95-D97 PolarHBondContact O-N 3.43Å
96	E	47.4	Very low	40.8	Very low	151 Å²	151	134 Å²	134	71%	0.706	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-16.2	-170.1	-63.7	-178.7	159	0	0	113.8	N98 I99	E96-N98 PolarHBondContact O-N 3.4Å; E96-I99 PolarHBondContact O-N 3.45Å
97	D	48.3	Very low	41.6	Very low	108 Å²	108	131.5 Å²	131.5	58%	0.578	67%	0.674	S	S	*	*	H	α-helix	trans	-71.5	-27.3	-171	-63.9	-24.7	0	0	0	114.3	N95	N95-D97 VanDerWaalsContact C-N 3.25Å; N95-D97 PolarHBondContact O-N 3.43Å
98	N	42.1	Very low	42.2	Very low	121 Å²	121	129.8 Å²	129.8	65%	0.647	66%	0.657	S	S	*	*	H	α-helix	trans	-82	-21.2	-178.9	-72.7	-28.2	0	0	0	113.2	E96	E96-N98 PolarHBondContact O-N 3.4Å
99	I	44.4	Very low	42.8	Very low	103 Å²	103	130 Å²	130	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-79.1	-31.8	-178.7	-62	174.9	0	0	0	110.5	E96 K103	E96-I99 PolarHBondContact O-N 3.45Å; I99-K103 WeakPolarHBondContact O-CB 3.21Å; I99-K103 PolarHBondContact O-N 2.67Å
100	L	43	Very low	43.3	Very low	120 Å²	120	124.4 Å²	124.4	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-68.9	-33.3	179.4	-85.7	162	0	0	0	113.4	K104	L100-K104 WeakPolarHBondContact O-CB 3.15Å; L100-K104 PolarHBondContact O-N 3.31Å
101	F	39.2	Very low	44.2	Very low	167 Å²	167	122.9 Å²	122.9	73%	0.732	61%	0.613	S	S	*	*	H	α-helix	trans	-73.8	-42.1	-179.4	-97.5	-88.3	0	0	0	113.1	K104 E105	F101-K104 PolarHBondContact O-N 3.14Å; F101-E105 PolarHBondContact O-N 3.4Å
102	V	47.1	Very low	45.1	Very low	89 Å²	89	123.8 Å²	123.8	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-67.6	-38.4	177.3	178.8	0	0	0	0	111.1	K104 E105 N106	V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.26Å; V102-E105 PolarHBondContact O-N 3.36Å; V102-N106 PolarHBondContact O-N 3.34Å
103	K	46.6	Very low	46	Very low	146 Å²	146	126.1 Å²	126.1	64%	0.635	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-33.8	176.7	-164.5	163.4	-175.4	172.6	0	111.9	I99 L107	I99-K103 WeakPolarHBondContact O-CB 3.21Å; I99-K103 PolarHBondContact O-N 2.67Å; K103-L107 WeakPolarHBondContact O-CB 3.08Å; K103-L107 PolarHBondContact O-N 3.26Å; K103-L107 VanDerWaalsContact O-N 3.12Å
104	K	50.2	Low	46.7	Very low	162 Å²	162	120.7 Å²	120.7	70%	0.704	59%	0.592	S	S	*	*	H	α-helix	trans	-74.3	-37.2	-179.9	-156.5	171.1	-173.3	172.8	0	113	L100 F101 V102 L107 S108	L100-K104 WeakPolarHBondContact O-CB 3.15Å; L100-K104 PolarHBondContact O-N 3.31Å; F101-K104 PolarHBondContact O-N 3.14Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.26Å; K104-L107 PolarHBondContact O-N 3.35Å; K104-S108 PolarHBondContact O-N 3.49Å; K104-S108 VanDerWaalsContact O-N 3.15Å; K104-S108 PolarHBondContact O-OG 3.29Å
105	E	48.9	Very low	47.4	Very low	122 Å²	122	121.1 Å²	121.1	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-73	-36.1	179.4	-156.5	175.6	-176.6	0	0	112.3	F101 V102 S108 K109	F101-E105 PolarHBondContact O-N 3.4Å; V102-E105 PolarHBondContact O-N 3.36Å; E105-S108 PolarHBondContact O-N 3.29Å; E105-S108 PolarHBondContact O-OG 3.24Å; E105-K109 PolarHBondContact O-N 3.46Å
106	N	45.3	Very low	47.9	Very low	103 Å²	103	123.2 Å²	123.2	55%	0.551	61%	0.611	S	S	*	*	H	α-helix	trans	-71.2	-33.9	172.4	-73.3	-15.7	0	0	0	112.4	V102 K109 F110	V102-N106 PolarHBondContact O-N 3.34Å; N106-K109 PolarHBondContact O-N 2.89Å; N106-F110 PolarHBondContact O-N 3.4Å
107	L	51.7	Low	48	Very low	99 Å²	99	124 Å²	124	52%	0.518	62%	0.615	S	S	.	*	H	α-helix	trans	-66.6	-35.9	174.4	-128.5	79.8	0	0	0	112.5	K103 K104 K109 N111	K103-L107 WeakPolarHBondContact O-CB 3.08Å; K103-L107 PolarHBondContact O-N 3.26Å; K103-L107 VanDerWaalsContact O-N 3.12Å; K104-L107 PolarHBondContact O-N 3.35Å; L107-K109 VanDerWaalsContact C-N 3.35Å; L107-N111 WeakPolarHBondContact O-CB 3.22Å; L107-N111 PolarHBondContact O-N 3.03Å; L107-N111 VanDerWaalsContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.15Å
108	S	48.2	Very low	47.7	Very low	64 Å²	64	125.7 Å²	125.7	45%	0.448	62%	0.623	S	S	.	*	H	α-helix	trans	-66.5	-35.9	176.4	47.1	0	0	0	0	112.7	K104 E105 E112	K104-S108 PolarHBondContact O-N 3.49Å; K104-S108 VanDerWaalsContact O-N 3.15Å; K104-S108 PolarHBondContact O-OG 3.29Å; E105-S108 PolarHBondContact O-N 3.29Å; E105-S108 PolarHBondContact O-OG 3.24Å; S108-E112 PolarHBondContact O-N 3.24Å
109	K	47.9	Very low	47.6	Very low	125 Å²	125	127.7 Å²	127.7	54%	0.543	63%	0.634	S	S	.	*	H	α-helix	trans	-73.5	-40.5	177.2	-71.6	177.2	-177.9	168.2	0	112.2	E105 N106 L107 E112 E113	E105-K109 PolarHBondContact O-N 3.46Å; N106-K109 PolarHBondContact O-N 2.89Å; L107-K109 VanDerWaalsContact C-N 3.35Å; K109-E112 PolarHBondContact O-N 3.23Å; K109-E113 PolarHBondContact O-N 2.75Å
110	F	45.2	Very low	47.6	Very low	134 Å²	134	131.3 Å²	131.3	59%	0.588	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-36.6	178.9	-161.7	-103.5	0	0	0	112.7	N106 E112 E113 L114	N106-F110 PolarHBondContact O-N 3.4Å; F110-E112 VanDerWaalsContact C-N 3.34Å; F110-E113 PolarHBondContact O-N 3.22Å; F110-L114 HydrophobicContact CD1-CD1 3.71Å; F110-L114 HydrophobicContact CE1-CD1 3.24Å; F110-L114 HydrophobicContact CZ-CD1 3.82Å; F110-L114 PolarHBondContact O-N 2.69Å; F110-L114 VanDerWaalsContact O-N 3.15Å
111	N	51.4	Low	47.4	Very low	90 Å²	90	133.3 Å²	133.3	48%	0.481	67%	0.665	S	S	.	*	H	α-helix	trans	-73.1	-23.7	175.8	-73.5	-23.6	0	0	0	113.4	L107 L115	L107-N111 WeakPolarHBondContact O-CB 3.22Å; L107-N111 PolarHBondContact O-N 3.03Å; L107-N111 VanDerWaalsContact O-N 3.07Å; L107-N111 PolarHBondContact O-ND2 3.15Å; N111-L115 WeakPolarHBondContact O-CG 3.41Å
112	E	55.3	Low	47.3	Very low	146 Å²	146	130.6 Å²	130.6	68%	0.682	66%	0.664	S	S	*	*	H	α-helix	trans	-79.4	-27.5	175.4	-152	171.7	162.8	0	0	111.6	S108 K109 F110	S108-E112 PolarHBondContact O-N 3.24Å; K109-E112 PolarHBondContact O-N 3.23Å; F110-E112 VanDerWaalsContact C-N 3.34Å
113	E	53	Low	46.8	Very low	147 Å²	147	134.1 Å²	134.1	69%	0.687	68%	0.678	S	S	*	*	H	α-helix	trans	-82	-36.3	178.3	-150.7	150.4	-158.3	0	0	112.2	K109 F110 L115 N116	K109-E113 PolarHBondContact O-N 2.75Å; F110-E113 PolarHBondContact O-N 3.22Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.46Å; E113-N116 PolarHBondContact O-N 3.03Å
114	L	51.4	Low	46.4	Very low	96 Å²	96	134.7 Å²	134.7	50%	0.503	68%	0.683	S	S	.	*	H	α-helix	trans	-74.4	-16.8	175.7	-101.1	154.2	0	0	0	114.9	F110	F110-L114 HydrophobicContact CD1-CD1 3.71Å; F110-L114 HydrophobicContact CE1-CD1 3.24Å; F110-L114 HydrophobicContact CZ-CD1 3.82Å; F110-L114 PolarHBondContact O-N 2.69Å; F110-L114 VanDerWaalsContact O-N 3.15Å
115	L	51.5	Low	45.9	Very low	147 Å²	147	135.3 Å²	135.3	77%	0.77	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-5.6	176.5	-80.6	172.9	0	0	0	113.8	N111 E113	N111-L115 WeakPolarHBondContact O-CG 3.41Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.46Å
116	N	47.8	Very low	45.3	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	70%	0.701	S	S	*	*	S	Bend	trans	-106.6	3.7	-177.7	-93.5	6.3	0	0	0	114.9	E113	E113-N116 PolarHBondContact O-N 3.03Å
117	E	50.2	Low	45	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	71%	0.708	S	S	*	*	S	Bend	trans	-115.5	15.8	-173	-139.1	-175.6	153.3	0	0	115.9
118	N	40.8	Very low	44.2	Very low	142 Å²	142	142 Å²	142	76%	0.759	72%	0.723	S	S	*	*			trans	-121.1	81.1	178	-68.7	-52.6	0	0	0	112.1
119	D	40.1	Very low	43.5	Very low	163 Å²	163	144 Å²	144	87%	0.872	74%	0.738	S	S	*	*			trans	-131.5	90	160.5	-101.2	-26.3	0	0	0	107.8
120	L	44.7	Very low	43	Very low	180 Å²	180	143.4 Å²	143.4	94%	0.942	75%	0.749	S	S	*	*	S	Bend	trans	-163.2	128.9	156.4	-102.7	145.4	0	0	0	109.3
121	D	38.2	Very low	42.4	Very low	161 Å²	161	143 Å²	143	86%	0.861	76%	0.758	S	S	*	*			trans	-62.7	163.6	-161	-80	-53.1	0	0	0	118
122	P	37.5	Very low	41.8	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	77%	0.773	S	S	*	*			trans	-114.7	146	-155.7	38.2	-25.9	0	0	0	115.2
123	I	37.3	Very low	40.6	Very low	162 Å²	162	145.4 Å²	145.4	83%	0.831	78%	0.775	S	S	*	*			trans	-146	116.4	163	-64.4	-172.7	0	0	0	113.3
124	H	37.7	Very low	39.5	Very low	158 Å²	158	149.7 Å²	149.7	73%	0.731	79%	0.786	S	S	*	*			trans	65.3	125	147.9	-88.2	-62	0	0	0	125.6
125	K	39.4	Very low	38.6	Very low	176 Å²	176	153.2 Å²	153.2	77%	0.765	80%	0.797	S	S	*	*			trans	95.3	86	133.6	-75.1	167.3	-175.2	179.5	0	120.5
126	E	37.4	Very low	37.7	Very low	192 Å²	192	151.3 Å²	151.3	90%	0.897	80%	0.796	S	S	*	*				55.2	151.3	113.3	-74.3	-140.1	172	0	0	124.2
127	P	37.6	Very low	37	Very low	105 Å²	105	149.8 Å²	149.8	68%	0.682	79%	0.793	S	S	*	*			trans	-128	171.8	-131.7	42.4	-27.7	0	0	0	116.3
128	I	36.5	Very low	36.2	Very low	166 Å²	166	147.2 Å²	147.2	85%	0.851	79%	0.789	S	S	*	*			trans	-140.5	102.6	163.1	-56.2	177.5	0	0	0	110.4
129	S	32.1	Very low	35.8	Very low	107 Å²	107	150 Å²	150	75%	0.748	79%	0.794	S	S	*	*				32.3	117.1	124	179.6	0	0	0	0	117.3
130	S	37.8	Very low	35.4	Very low	113 Å²	113	147.7 Å²	147.7	79%	0.79	79%	0.79	S	S	*	*				-167.8	132.5	73.1	52.3	0	0	0	0	112.6
131	T	32.9	Very low	34.8	Very low	125 Å²	125	146.9 Å²	146.9	77%	0.767	79%	0.786	S	S	*	*			trans	-112.5	161.1	165.1	53	0	0	0	0	109.4
132	P	37.9	Very low	34.7	Very low	123 Å²	123	147.5 Å²	147.5	80%	0.799	78%	0.784	S	S	*	*				-146.8	133.1	106.5	31.3	-11.9	0	0	0	113.9
133	F	30.2	Very low	34.6	Very low	164 Å²	164	152 Å²	152	72%	0.719	79%	0.792	S	S	*	*				85.2	110	78.9	-123.9	-75.1	0	0	0	114.7	K135	F133-K135 HydrophobicContact CD1-CB 4.48Å; F133-K135 HydrophobicContact CD1-CG 3.61Å; F133-K135 HydrophobicContact CE1-CB 4.41Å; F133-K135 HydrophobicContact CE1-CG 3.43Å; F133-K135 VanDerWaalsContact CE1-CG 3.43Å
134	Y	30.5	Very low	34.2	Very low	237 Å²	237	147.9 Å²	147.9	93%	0.929	79%	0.79	S	S	*	*			trans	-122.4	126.1	143.5	-151.7	-93.8	0	0	0	109.2
135	K	32.5	Very low	34.2	Very low	169 Å²	169	144.4 Å²	144.4	74%	0.735	78%	0.783	S	S	*	*			trans	-80.8	144.2	-172.5	-82.8	168.8	173.6	172.2	0	111.9	F133	F133-K135 HydrophobicContact CD1-CB 4.48Å; F133-K135 HydrophobicContact CD1-CG 3.61Å; F133-K135 HydrophobicContact CE1-CB 4.41Å; F133-K135 HydrophobicContact CE1-CG 3.43Å; F133-K135 VanDerWaalsContact CE1-CG 3.43Å
136	S	33.3	Very low	34.1	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	79%	0.788	S	S	*	*				-174	94.3	127.5	164.3	0	0	0	0	108.6
137	T	33.3	Very low	34.2	Very low	117 Å²	117	143.6 Å²	143.6	72%	0.718	78%	0.784	S	S	*	*				112.2	86.1	86.2	-55.8	0	0	0	0	109.5
138	T	32.2	Very low	34	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	79%	0.787	S	S	*	*			trans	27.6	124.3	135.2	64.3	0	0	0	0	119.6
139	K	32.7	Very low	34	Very low	201 Å²	201	143.9 Å²	143.9	87%	0.874	78%	0.781	S	S	*	*				-175.8	121.1	98	-93.7	170.9	-174.3	-179.5	0	110.8
140	S	30.8	Very low	34.1	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	78%	0.778	S	S	*	*			trans	-65.6	133.6	161.2	150	0	0	0	0	109.6
141	L	33.7	Very low	34.2	Very low	163 Å²	163	143.5 Å²	143.5	85%	0.853	77%	0.773	S	S	*	*			trans	-162.4	108.5	148.3	-145.1	72.4	0	0	0	111.6
142	H	34.8	Very low	35	Very low	175 Å²	175	143 Å²	143	81%	0.81	76%	0.764	S	S	*	*			trans	55.6	125.1	135.6	-131.9	-94.7	0	0	0	121.3	G144	H142-G144 PolarHBondContact O-N 2.84Å
143	K	35.2	Very low	35.4	Very low	204 Å²	204	139.3 Å²	139.3	89%	0.887	75%	0.748	S	S	*	*	S	Bend	trans	-43.8	126.4	157.1	-74.3	168.7	173.3	174	0	110.6
144	G	30.5	Very low	36.2	Very low	77 Å²	77	134 Å²	134	79%	0.794	73%	0.734	S	S	*	*			trans	148.5	73	170.8	0	0	0	0	0	114.2	H142	H142-G144 PolarHBondContact O-N 2.84Å
145	S	36.1	Very low	37	Very low	85 Å²	85	127.8 Å²	127.8	59%	0.594	72%	0.723	S	S	*	*			trans	-159.2	74.4	155.3	-161.6	0	0	0	0	110.9	N148	S145-N148 PolarHBondContact OG-ND2 3.35Å
146	L	38.2	Very low	37.7	Very low	163 Å²	163	130.4 Å²	130.4	85%	0.853	73%	0.728	S	S	*	*	S	Bend	trans	-88.6	16.9	159.3	-90.6	169.9	0	0	0	111.6
147	F	39	Very low	38	Very low	187 Å²	187	133.1 Å²	133.1	82%	0.82	73%	0.734	S	S	*	*			trans	-139.3	55.8	-171.6	-95.3	-84.1	0	0	0	113
148	N	34.9	Very low	38.3	Very low	138 Å²	138	131.9 Å²	131.9	74%	0.738	74%	0.735	S	S	*	*			trans	-116.9	34.5	155.2	-78.3	-57.2	0	0	0	110.9	S145 A150	S145-N148 PolarHBondContact OG-ND2 3.35Å; N148-A150 VanDerWaalsContact C-N 3.25Å; N148-A150 PolarHBondContact O-N 3.49Å
149	L	34.9	Very low	38.4	Very low	139 Å²	139	134.2 Å²	134.2	73%	0.728	74%	0.742	S	S	*	*			trans	-79.4	72.8	160.2	-93.8	79.8	0	0	0	108.7	I152	L149-I152 HydrophobicContact CG-CD1 4.11Å
150	A	35.6	Very low	38.4	Very low	83 Å²	83	131.9 Å²	131.9	69%	0.686	74%	0.74	S	S	*	*	S	Bend	trans	-161.3	48.8	171.8	0	0	0	0	0	112.4	N148	N148-A150 VanDerWaalsContact C-N 3.25Å; N148-A150 PolarHBondContact O-N 3.49Å
151	L	39.2	Very low	38.8	Very low	130 Å²	130	131.9 Å²	131.9	68%	0.681	73%	0.734	S	S	*	*			trans	-174	39	159.7	-104.6	147.3	0	0	0	111.6	G153 A154	L151-G153 PolarHBondContact O-N 3.17Å; L151-G153 VanDerWaalsContact O-N 3.12Å; L151-A154 HydrophobicContact CD2-CB 3.64Å
152	I	49.7	Very low	38.7	Very low	115 Å²	115	128.6 Å²	128.6	59%	0.59	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	89.7	175.4	-58.8	167.5	0	0	0	106.5	L149	L149-I152 HydrophobicContact CG-CD1 4.11Å
153	G	46.6	Very low	38.6	Very low	45 Å²	45	129.1 Å²	129.1	46%	0.464	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	149.7	-10.8	174.5	0	0	0	0	0	116.9	L151	L151-G153 PolarHBondContact O-N 3.17Å; L151-G153 VanDerWaalsContact O-N 3.12Å
154	A	46.7	Very low	38.5	Very low	52 Å²	52	126.7 Å²	126.7	43%	0.43	72%	0.717	S	S	.	*			trans	-79.1	127.4	177.5	0	0	0	0	0	111.3	L151 R156	L151-A154 HydrophobicContact CD2-CB 3.64Å; A154-R156 PolarHBondContact O-N 3.21Å
155	P	46.9	Very low	38.5	Very low	106 Å²	106	130 Å²	130	69%	0.688	72%	0.717	S	S	*	*			trans	-65.9	108.5	171.6	26.6	-31.2	0	0	0	108.9	L157	P155-L157 PolarHBondContact O-N 2.67Å
156	R	48.1	Very low	38.3	Very low	224 Å²	224	130.8 Å²	130.8	85%	0.845	72%	0.718	S	S	*	*			trans	-75.9	88.8	171.8	-70.5	-128.9	162.3	165.9	-4.4	109.4	A154 A158	A154-R156 PolarHBondContact O-N 3.21Å; R156-A158 VanDerWaalsContact C-N 3.26Å; R156-A158 PolarHBondContact O-N 3.47Å
157	L	39.8	Very low	38	Very low	165 Å²	165	128.9 Å²	128.9	86%	0.864	72%	0.716	S	S	*	*			trans	-66.4	88.6	158.3	-90.7	137.1	0	0	0	108.1	P155 L159	P155-L157 PolarHBondContact O-N 2.67Å; L157-L159 PolarHBondContact O-N 3.15Å
158	A	37.8	Very low	37.7	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	72%	0.716	S	S	*	*			trans	-82	99	166.8	0	0	0	0	0	108.5	R156 N160	R156-A158 VanDerWaalsContact C-N 3.26Å; R156-A158 PolarHBondContact O-N 3.47Å; A158-N160 PolarHBondContact O-N 2.87Å; A158-N160 VanDerWaalsContact O-N 3.14Å
159	L	35.6	Very low	37.6	Very low	163 Å²	163	126 Å²	126	85%	0.853	72%	0.719	S	S	*	*			trans	-67.8	98.2	157.4	-83.8	163.7	0	0	0	107.3	L157 V161	L157-L159 PolarHBondContact O-N 3.15Å; L159-V161 PolarHBondContact O-N 2.88Å
160	N	33	Very low	37.3	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	72%	0.719	S	S	*	*			trans	-89	100.1	165.1	-165.8	37.1	0	0	0	107.8	A158 S162	A158-N160 PolarHBondContact O-N 2.87Å; A158-N160 VanDerWaalsContact O-N 3.14Å; N160-S162 PolarHBondContact O-N 3.34Å
161	V	38.5	Very low	37.3	Very low	112 Å²	112	127.6 Å²	127.6	68%	0.679	73%	0.726	S	S	*	*			trans	-65.5	118.6	168.1	174	0	0	0	0	107.3	L159 F163	L159-V161 PolarHBondContact O-N 2.88Å; V161-F163 PolarHBondContact O-N 3.41Å; V161-F163 VanDerWaalsContact O-N 3.15Å
162	S	31.3	Very low	36.8	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	73%	0.727	S	S	*	*			trans	-62.6	108.8	175.9	-165.9	0	0	0	0	109.6	N160 Q164	N160-S162 PolarHBondContact O-N 3.34Å; S162-Q164 PolarHBondContact O-N 3.26Å
163	F	32.7	Very low	36.1	Very low	186 Å²	186	127.3 Å²	127.3	82%	0.816	74%	0.735	S	S	*	*			trans	-77	95.4	161.8	-114.6	-90.8	0	0	0	107.4	V161 N165	V161-F163 PolarHBondContact O-N 3.41Å; V161-F163 VanDerWaalsContact O-N 3.15Å; F163-N165 PolarHBondContact O-N 3.41Å
164	Q	33.8	Very low	35.4	Very low	153 Å²	153	130.2 Å²	130.2	72%	0.715	74%	0.744	S	S	*	*			trans	-68.5	107.3	164.2	-77.2	175.4	-9.6	0	0	108.2	S162 T166	S162-Q164 PolarHBondContact O-N 3.26Å; Q164-T166 PolarHBondContact O-N 3.44Å
165	N	31	Very low	34.8	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	76%	0.762	S	S	*	*			trans	-88.8	85	158.1	-75.8	-2.5	0	0	0	107.6	F163	F163-N165 PolarHBondContact O-N 3.41Å
166	T	30.5	Very low	34.2	Very low	102 Å²	102	138.4 Å²	138.4	63%	0.626	77%	0.765	S	S	*	*			trans	-81.1	133.3	160.7	21.3	0	0	0	0	108.8	Q164 T168	Q164-T166 PolarHBondContact O-N 3.44Å; T166-T168 PolarHBondContact O-N 2.83Å
167	P	33.5	Very low	33.5	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	76%	0.756	S	S	*	*			trans	-72.8	114.4	173.2	28.5	-29.1	0	0	0	108.9	T169	P167-T169 PolarHBondContact O-N 3.28Å
168	T	31.7	Very low	33.4	Very low	135 Å²	135	130.8 Å²	130.8	83%	0.828	75%	0.751	S	S	*	*			trans	-75.8	115.5	175.2	43.3	0	0	0	0	110.8	T166	T166-T168 PolarHBondContact O-N 2.83Å
169	T	33.5	Very low	33.1	Very low	130 Å²	130	133.5 Å²	133.5	80%	0.798	75%	0.753	S	S	*	*			trans	-84.5	108.2	161.9	-46.3	0	0	0	0	109	P167	P167-T169 PolarHBondContact O-N 3.28Å
170	T	28.5	Very low	33.1	Very low	121 Å²	121	132.1 Å²	132.1	74%	0.742	75%	0.751	S	S	*	*			trans	22	113.4	146.2	-14.7	0	0	0	0	119.1
171	T	34.1	Very low	33.1	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	75%	0.746	S	S	*	*			trans	-155.1	107.1	131	-19.4	0	0	0	0	110.5
172	T	30.4	Very low	32.8	Very low	115 Å²	115	136 Å²	136	71%	0.706	76%	0.756	S	S	*	*			trans	30	114.4	139.4	-36.9	0	0	0	0	118.5
173	T	34.5	Very low	33	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	76%	0.762	S	S	*	*				-166.5	113.2	118.4	-59.6	0	0	0	0	109.5
174	T	31.3	Very low	33	Very low	105 Å²	105	134.4 Å²	134.4	64%	0.644	76%	0.761	S	S	*	*			trans	0.1	132.6	150.4	-15.5	0	0	0	0	118.7
175	Y	34.9	Very low	33.1	Very low	209 Å²	209	134.1 Å²	134.1	82%	0.82	77%	0.77	S	S	*	*				176.2	106.4	122.5	-81.6	-63.3	0	0	0	109.8
176	T	34.2	Very low	33.2	Very low	121 Å²	121	132.5 Å²	132.5	74%	0.742	77%	0.765	S	S	*	*				35.6	135	129.6	40.9	0	0	0	0	119.7
177	T	33.4	Very low	33.4	Very low	106 Å²	106	134.5 Å²	134.5	65%	0.65	77%	0.772	S	S	*	*			cis	-174.9	168	11.8	-61.9	0	0	0	0	107.8
178	T	36.4	Very low	33.4	Very low	124 Å²	124	134 Å²	134	76%	0.761	76%	0.763	S	S	*	*			trans	98.4	92.9	161.7	69.6	0	0	0	0	115.3
179	N	31.5	Very low	33.6	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	77%	0.767	S	S	*	*				70.2	107.2	68.6	-73.6	1.8	0	0	0	115.5
180	T	37.2	Very low	33.6	Very low	135 Å²	135	135.6 Å²	135.6	83%	0.828	76%	0.76	S	S	*	*			trans	174.8	88.7	137.4	36.9	0	0	0	0	107.1
181	T	31.7	Very low	34	Very low	114 Å²	114	137.5 Å²	137.5	70%	0.699	76%	0.764	S	S	*	*				40.1	103.7	91.3	-46.5	0	0	0	0	115.7
182	Y	33.7	Very low	34	Very low	231 Å²	231	138.8 Å²	138.8	91%	0.906	76%	0.761	S	S	*	*			trans	-147.9	128.4	138.2	-84.8	-76	0	0	0	109.2
183	T	33.8	Very low	34.3	Very low	125 Å²	125	141.1 Å²	141.1	77%	0.767	76%	0.764	S	S	*	*			trans	-88.6	161	-171.1	41.6	0	0	0	0	113.4
184	P	34.2	Very low	34.3	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	76%	0.761	S	S	*	*			trans	-97.9	163.5	-170.7	38.3	-32.4	0	0	0	113.9
185	T	35.9	Very low	34.6	Very low	146 Å²	146	142.2 Å²	142.2	90%	0.896	76%	0.76	S	S	*	*			trans	-113.1	131.9	170	44	0	0	0	0	112
186	T	31.5	Very low	34.7	Very low	113 Å²	113	140 Å²	140	69%	0.693	76%	0.757	S	S	*	*			trans	-73	154.4	-176.5	44.2	0	0	0	0	115.5
187	N	35.2	Very low	34.9	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	75%	0.75	S	S	*	*			trans	175.9	98.5	131.6	-89.5	-10.7	0	0	0	108.1
188	N	33.3	Very low	35	Very low	113 Å²	113	140.8 Å²	140.8	60%	0.604	76%	0.759	S	S	*	*				71.5	108.3	85.4	-69	1.7	0	0	0	113.3
189	N	36.9	Very low	34.8	Very low	173 Å²	173	141 Å²	141	93%	0.925	76%	0.764	S	S	*	*				-158.4	121.2	122.2	-87.6	-17.8	0	0	0	109.5
190	I	33.3	Very low	35	Very low	126 Å²	126	139.3 Å²	139.3	65%	0.646	76%	0.764	S	S	*	*			trans	-107.1	138.9	-171.9	-67.4	160.3	0	0	0	107.5	E192	I190-E192 HydrophobicContact CG2-CG 4.22Å
191	I	36.5	Very low	35	Very low	161 Å²	161	139.1 Å²	139.1	83%	0.826	77%	0.765	S	S	*	*			trans	-156.7	101.5	138.9	-48.8	-173.8	0	0	0	104.2
192	E	35	Very low	35.1	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	78%	0.776	S	S	*	*				46.3	130.2	92.7	-69.9	-177.5	160.5	0	0	112.1	I190	I190-E192 HydrophobicContact CG2-CG 4.22Å
193	E	35.7	Very low	35.1	Very low	164 Å²	164	142.7 Å²	142.7	77%	0.766	77%	0.773	S	S	*	*			cis	-174.5	143.2	48.1	-156.2	175.2	167.1	0	0	110
194	L	35.5	Very low	35.1	Very low	136 Å²	136	142.8 Å²	142.8	71%	0.712	77%	0.774	S	S	*	*			trans	18.1	130.2	150.1	-71.5	94.2	0	0	0	122.2
195	D	36.9	Very low	35.1	Very low	115 Å²	115	142 Å²	142	62%	0.615	77%	0.772	S	S	*	*				169.3	134.7	87.6	-108.2	-11.1	0	0	0	114.9
196	H	36.7	Very low	35.1	Very low	163 Å²	163	140.5 Å²	140.5	76%	0.755	77%	0.767	S	S	*	*			trans	57	139.3	136.8	-66.8	35.9	0	0	0	119.6
197	S	38.9	Very low	35.4	Very low	87 Å²	87	141.5 Å²	141.5	61%	0.608	77%	0.773	S	S	*	*			cis	178	150.9	5	44.7	0	0	0	0	108.4
198	N	35.1	Very low	35.4	Very low	156 Å²	156	140.5 Å²	140.5	83%	0.834	77%	0.774	S	S	*	*			trans	62.7	138.1	152.6	-57.6	-26.9	0	0	0	118.7
199	C	32.9	Very low	35.3	Very low	128 Å²	128	140.8 Å²	140.8	87%	0.865	79%	0.785	S	S	*	*			cis	-164.2	155.3	28.9	-154.5	0	0	0	0	110.9
200	S	36.2	Very low	35.4	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	78%	0.776	S	S	*	*			trans	-66.8	167.1	-172.4	-70.7	0	0	0	0	118.2
201	P	36.7	Very low	35.3	Very low	131 Å²	131	141.9 Å²	141.9	85%	0.851	79%	0.786	S	S	*	*			trans	-96.5	163.7	-178.3	38.3	-32.7	0	0	0	113.9
202	R	33.2	Very low	35.4	Very low	249 Å²	249	141.2 Å²	141.2	94%	0.94	78%	0.784	S	S	*	*			trans	-136.5	133.9	168.1	-163.7	171.2	-178.2	-149.6	-0.4	113
203	M	32.9	Very low	35.3	Very low	171 Å²	171	142.7 Å²	142.7	84%	0.842	79%	0.791	S	S	*	*			trans	-52	155.8	176.3	-58.6	177	165.4	0	0	113
204	T	35.2	Very low	35.4	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	80%	0.795	S	S	*	*				-169.4	143.7	76.4	44.3	0	0	0	0	114.1
205	S	33	Very low	35.4	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	80%	0.8	S	S	*	*			trans	-3.5	149.6	146	57.8	0	0	0	0	119.2
206	S	37.7	Very low	35.7	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	81%	0.811	S	S	*	*			cis	-172.1	154.5	45.4	39.7	0	0	0	0	112.7
207	T	36.5	Very low	35.9	Very low	134 Å²	134	138 Å²	138	82%	0.822	81%	0.809	S	S	*	*			trans	-46.7	155.9	173.7	25.8	0	0	0	0	119.6
208	P	34.8	Very low	36.5	Very low	123 Å²	123	141.3 Å²	141.3	80%	0.799	82%	0.82	S	S	*	*			trans	-105.2	151.2	165.6	38	-27.5	0	0	0	113
209	S	32.7	Very low	36.9	Very low	119 Å²	119	139.8 Å²	139.8	83%	0.832	81%	0.812	S	S	*	*			trans	-158.9	147.9	165	-142.9	0	0	0	0	113.5
210	S	37.7	Very low	37.7	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	81%	0.813	S	S	*	*			trans	106.7	120.1	152.9	77.9	0	0	0	0	121
211	Y	32.8	Very low	38.1	Very low	217 Å²	217	143.1 Å²	143.1	85%	0.851	81%	0.812	S	S	*	*			trans	67.6	123.2	133.7	-98.5	-107.2	0	0	0	120.4
212	N	37.1	Very low	39.1	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	81%	0.814	S	S	*	*				-177.4	143.8	81.4	-142.6	-6	0	0	0	112.6
213	Q	34.1	Very low	40	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	81%	0.806	S	S	*	*			trans	-94.7	144.3	170.9	-88.7	171.4	-6.3	0	0	109.9
214	G	37.6	Very low	41.2	Very low	82 Å²	82	139.2 Å²	139.2	85%	0.845	81%	0.807	S	S	*	*			trans	-151.2	121.5	171.9	0	0	0	0	0	110.6
215	S	34.8	Very low	42.2	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	81%	0.81	S	S	*	*			trans	-100.3	140	178.7	162.8	0	0	0	0	109.4
216	C	43.8	Very low	42.8	Very low	125 Å²	125	144.1 Å²	144.1	85%	0.845	81%	0.814	S	S	*	*			trans	-151.9	124.7	156.9	35.3	0	0	0	0	111.2
217	H	40.3	Very low	43.9	Very low	155 Å²	155	146.1 Å²	146.1	72%	0.718	82%	0.815	S	S	*	*			trans	-59.9	152.8	153.8	-93.7	-85	0	0	0	109.7
218	D	50.9	Low	44.5	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	81%	0.813	S	S	*	*				-167.8	130.1	127.7	-87.8	-29.6	0	0	0	109.4
219	D	44.3	Very low	45.7	Very low	124 Å²	124	148.6 Å²	148.6	66%	0.663	82%	0.817	S	S	*	*			trans	-67.2	152.9	174.3	-55.7	-61.4	0	0	0	110.7
220	N	48.5	Very low	46.3	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	82%	0.815	S	S	*	*			trans	-171.5	114	141	-84.2	-38	0	0	0	108.8
221	D	45.7	Very low	47.2	Very low	143 Å²	143	152.5 Å²	152.5	77%	0.765	82%	0.82	S	S	*	*			trans	-60.2	148.4	160.7	-58.4	-59	0	0	0	109.9
222	D	58.3	Low	47.7	Very low	167 Å²	167	149 Å²	149	89%	0.893	82%	0.816	S	S	*	*			trans	-163.1	115.3	146.2	-86.9	-34.7	0	0	0	108
223	D	51.4	Low	48	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	82%	0.818	S	S	*	*			trans	-64.9	147.7	172.3	-60.4	-62.5	0	0	0	110.7
224	D	57.5	Low	48.1	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	81%	0.812	S	S	*	*			trans	-165.3	97.6	152.2	-88.3	-32.5	0	0	0	110.9
225	E	56.1	Low	48.1	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	81%	0.813	S	S	*	*			trans	21.2	123.3	143.7	-59.5	179.3	167.5	0	0	121.1
226	D	47	Very low	48.1	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	80%	0.799	S	S	*	*			trans	-85.7	121.5	167	-66.6	-54.3	0	0	0	110.1
227	D	60.8	Low	47.7	Very low	156 Å²	156	148 Å²	148	83%	0.834	79%	0.793	S	S	*	*			trans	-104.7	111.2	164.1	-85	-36.1	0	0	0	109.4
228	D	47.3	Very low	47.4	Very low	145 Å²	145	149 Å²	149	78%	0.775	80%	0.797	S	S	*	*			trans	-83.2	115.9	170.7	-74.7	-48.3	0	0	0	109.5
229	D	60	Low	46.7	Very low	165 Å²	165	150.1 Å²	150.1	88%	0.882	80%	0.795	S	S	*	*			trans	-112.4	107.8	164	-84.3	-37.4	0	0	0	109.8
230	D	47.1	Very low	46	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	80%	0.797	S	S	*	*			trans	-67.4	131.7	166.9	-67.4	-55.1	0	0	0	110.6
231	D	54.9	Low	45.4	Very low	161 Å²	161	148.9 Å²	148.9	86%	0.861	79%	0.791	S	S	*	*			trans	-138.8	126.3	157.5	-170.8	31.9	0	0	0	111.6
232	D	44.2	Very low	45.1	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	79%	0.791	S	S	*	*			trans	-103.3	116.5	-165	-51.5	-30.4	0	0	0	109.5
233	G	43.2	Very low	44.1	Very low	79 Å²	79	146 Å²	146	81%	0.814	79%	0.785	S	S	*	*			trans	-134.4	66.3	-177.1	0	0	0	0	0	113.9	Y235	G233-Y235 PolarHBondContact O-N 2.71Å
234	N	35.4	Very low	43.1	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	79%	0.785	S	S	*	*			trans	-66.1	119	173.1	178.9	26.4	0	0	0	112.1	A236	N234-A236 PolarHBondContact OD1-N 3.31Å
235	Y	39.2	Very low	42.2	Very low	223 Å²	223	145.7 Å²	145.7	88%	0.875	78%	0.782	S	S	*	*			trans	-140.5	80.8	155	-157.9	-96.6	0	0	0	109.6	G233	G233-Y235 PolarHBondContact O-N 2.71Å
236	A	33.7	Very low	41.3	Very low	63 Å²	63	145.4 Å²	145.4	52%	0.521	78%	0.781	S	S	.	*			trans	-114.1	157.5	160.1	0	0	0	0	0	109.4	N234	N234-A236 PolarHBondContact OD1-N 3.31Å
237	N	36.2	Very low	40.5	Very low	132 Å²	132	145.1 Å²	145.1	71%	0.706	78%	0.779	S	S	*	*			trans	90.1	130.5	-177.4	-46.8	-20.6	0	0	0	111.1
238	E	33.7	Very low	39.4	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	78%	0.781	S	S	*	*			cis	-172.1	141.2	28.5	-160.3	150.7	110	0	0	106.2
239	F	35.6	Very low	38.6	Very low	182 Å²	182	146.2 Å²	146.2	80%	0.798	78%	0.781	S	S	*	*			trans	159.3	83.9	136.4	-150	-104.6	0	0	0	110	E241	F239-E241 VanDerWaalsContact CE1-O 3.28Å; F239-E241 WeakPolarHBondContact CE1-O 3.43Å
240	S	30.6	Very low	37.4	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	78%	0.779	S	S	*	*			trans	-89.5	159.8	155.1	49.9	0	0	0	0	109.6
241	E	35.3	Very low	36.8	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	78%	0.777	S	S	*	*			trans	85.6	128.6	-178.2	-49.7	-176	139.1	0	0	112.1	F239	F239-E241 VanDerWaalsContact CE1-O 3.28Å; F239-E241 WeakPolarHBondContact CE1-O 3.43Å
242	V	39.1	Very low	35.7	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	78%	0.778	S	S	*	*			cis	-163.6	153.1	44.8	-159.9	0	0	0	0	109.3
243	V	38.2	Very low	35.2	Very low	124 Å²	124	144.6 Å²	144.6	75%	0.752	77%	0.773	S	S	*	*			trans	89.1	97.3	154.2	-163.2	0	0	0	0	119.2
244	N	30.8	Very low	34.6	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	77%	0.769	S	S	*	*			trans	-56.8	139.8	148.4	-56	-58.3	0	0	0	111.3
245	N	38.5	Very low	34.8	Very low	149 Å²	149	145 Å²	145	80%	0.797	76%	0.76	S	S	*	*			trans	-169.4	104.7	135.3	-96.4	-2.7	0	0	0	111.2
246	E	36.8	Very low	34.5	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	76%	0.757	S	S	*	*				47.6	113.4	126	-144	141.1	142.6	0	0	121.1
247	L	30.2	Very low	34.8	Very low	148 Å²	148	146.4 Å²	146.4	78%	0.775	77%	0.766	S	S	*	*			trans	67.7	87.5	130.8	-159.2	78	0	0	0	119.1
248	V	37.6	Very low	34.9	Very low	144 Å²	144	147.6 Å²	147.6	87%	0.873	77%	0.773	S	S	*	*			trans	-135	114.9	140.4	-174.8	0	0	0	0	109.6
249	K	30.9	Very low	35.1	Very low	181 Å²	181	145.1 Å²	145.1	79%	0.787	77%	0.772	S	S	*	*			trans	-76.4	124.2	177.2	-163.9	179	-168.8	178.1	0	108.3	T251	K249-T251 PolarHBondContact O-N 3.07Å
250	P	35	Very low	35.1	Very low	128 Å²	128	144 Å²	144	83%	0.831	77%	0.774	S	S	*	*			trans	-80.2	115.8	173.4	7.5	7.3	0	0	0	109.4
251	T	33	Very low	35.4	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	77%	0.772	S	S	*	*			trans	-56.4	138.1	173.9	-54.6	0	0	0	0	111.5	K249 I253	K249-T251 PolarHBondContact O-N 3.07Å; T251-I253 PolarHBondContact O-N 3.49Å
252	K	32	Very low	35.5	Very low	202 Å²	202	143 Å²	143	88%	0.878	77%	0.773	S	S	*	*			trans	-53.5	120.1	167.6	-74.5	175.7	173.8	179.3	0	109.9
253	I	34.7	Very low	35.4	Very low	130 Å²	130	145.5 Å²	145.5	67%	0.667	78%	0.776	S	S	*	*			trans	-114	99.1	164.4	-58.1	177.8	0	0	0	107.6	T251 H255	T251-I253 PolarHBondContact O-N 3.49Å; I253-H255 PolarHBondContact O-N 3.15Å
254	S	30.4	Very low	35.5	Very low	103 Å²	103	145.4 Å²	145.4	72%	0.72	78%	0.776	S	S	*	*			trans	-68	108.8	164.7	45	0	0	0	0	109.1	T256	S254-T256 PolarHBondContact O-N 3.05Å
255	H	40.1	Very low	36.1	Very low	127 Å²	127	143.9 Å²	143.9	59%	0.588	78%	0.777	S	S	*	*			trans	-84.4	85.9	169.3	-84.6	-74.3	0	0	0	110.4	I253 Y257	I253-H255 PolarHBondContact O-N 3.15Å; H255-Y257 HydrophobicContact CB-CD2 3.84Å; H255-Y257 HydrophobicContact CB-CE2 3.77Å; H255-Y257 AromaticContact CE1-CE2 3.68Å; H255-Y257 AromaticContact CE1-CZ 3.71Å; H255-Y257 PolarHBondContact CE1-OH 3.39Å; H255-Y257 AromaticContact CG-CE2 3.5Å; H255-Y257 AromaticContact ND1-CD2 3.78Å; H255-Y257 AromaticContact ND1-CE2 2.91Å; H255-Y257 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y257 AromaticContact ND1-CZ 3.24Å; H255-Y257 PolarHBondContact ND1-OH 2.82Å; H255-Y257 PolarHBondContact O-N 3.39Å
256	T	31.9	Very low	37	Very low	132 Å²	132	143.6 Å²	143.6	81%	0.81	78%	0.775	S	S	*	*			trans	-70.3	107.8	149.7	15.3	0	0	0	0	107.8	S254	S254-T256 PolarHBondContact O-N 3.05Å
257	Y	41	Very low	38.2	Very low	184 Å²	184	141.9 Å²	141.9	72%	0.722	77%	0.768	S	S	*	*			trans	-108.2	117.5	165.5	-81.1	-72	0	0	0	109.8	H255	H255-Y257 HydrophobicContact CB-CD2 3.84Å; H255-Y257 HydrophobicContact CB-CE2 3.77Å; H255-Y257 AromaticContact CE1-CE2 3.68Å; H255-Y257 AromaticContact CE1-CZ 3.71Å; H255-Y257 PolarHBondContact CE1-OH 3.39Å; H255-Y257 AromaticContact CG-CE2 3.5Å; H255-Y257 AromaticContact ND1-CD2 3.78Å; H255-Y257 AromaticContact ND1-CE2 2.91Å; H255-Y257 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y257 AromaticContact ND1-CZ 3.24Å; H255-Y257 PolarHBondContact ND1-OH 2.82Å; H255-Y257 PolarHBondContact O-N 3.39Å
258	N	37.1	Very low	40.4	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	76%	0.757	S	S	*	*			trans	-61.6	139.9	165.3	-77.6	-26.4	0	0	0	110
259	P	37.2	Very low	42.6	Very low	123 Å²	123	137.2 Å²	137.2	80%	0.799	73%	0.734	S	S	*	*			trans	-89	111.9	176.2	33.5	-26.7	0	0	0	109.4
260	L	36	Very low	45.3	Very low	160 Å²	160	134.9 Å²	134.9	84%	0.838	72%	0.72	S	S	*	*			trans	-153.4	117.1	158.9	-148.4	73.3	0	0	0	111.7
261	S	36.8	Very low	48	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	68%	0.681	S	S	*	*			trans	52.4	100	150.2	61	0	0	0	0	119.4
262	N	38.6	Very low	50.7	Low	148 Å²	148	126.7 Å²	126.7	79%	0.791	66%	0.659	S	S	*	*				163.6	119.6	110.7	-94.8	-9.7	0	0	0	112.4	T264	N262-T264 PolarHBondContact O-N 3.26Å
263	E	37	Very low	53.4	Low	180 Å²	180	120.4 Å²	120.4	84%	0.841	63%	0.634	S	S	*	*			trans	31.1	83.3	140.1	-58.2	-168.7	148.5	0	0	119.1
264	T	40.3	Very low	56.1	Low	122 Å²	122	115.9 Å²	115.9	75%	0.748	61%	0.614	S	S	*	*				-158.6	121.3	121.6	-41.7	0	0	0	0	106.5	N262 L266	N262-T264 PolarHBondContact O-N 3.26Å; T264-L266 PolarHBondContact O-N 3.24Å
265	S	42.9	Very low	58.9	Low	113 Å²	113	116.2 Å²	116.2	79%	0.79	61%	0.607	S	S	*	*			trans	-63.1	76	172.2	163	0	0	0	0	110	M267	S265-M267 PolarHBondContact O-N 3.46Å
266	L	57.6	Low	61	Low	144 Å²	144	112.9 Å²	112.9	75%	0.754	59%	0.594	S	S	*	*			trans	-63.8	109.3	168	-74.7	-179.3	0	0	0	106.6	T264 I268	T264-L266 PolarHBondContact O-N 3.24Å; L266-I268 VanDerWaalsContact C-N 3.32Å; L266-I268 PolarHBondContact O-N 2.81Å
267	M	62.7	Low	63.4	Low	139 Å²	139	111.5 Å²	111.5	69%	0.685	58%	0.578	S	S	*	*			trans	-60.9	94.6	176.4	-75.9	-124.3	-154.5	0	0	109	S265 F269	S265-M267 PolarHBondContact O-N 3.46Å; M267-F269 PolarHBondContact O-N 3.04Å
268	I	74.9	Confident	65.1	Low	105 Å²	105	107 Å²	107	54%	0.538	57%	0.567	S	S	.	*			trans	-67.2	115.6	175.6	-65	172.8	0	0	0	108.3	L266 R270 E277	L266-I268 VanDerWaalsContact C-N 3.32Å; L266-I268 PolarHBondContact O-N 2.81Å; I268-R270 PolarHBondContact O-N 3.46Å; I268-E277 HydrophobicContact CG2-CG 4.1Å; I268-E277 WeakPolarHBondContact CG2-OE1 3.08Å
269	F	83.9	Confident	66.6	Low	90 Å²	90	100.1 Å²	100.1	40%	0.395	53%	0.53	S	S	.	.			trans	-81.8	112.1	175.3	-65.6	-65.2	0	0	0	109.3	M267 L287 T296 L299 L471	M267-F269 PolarHBondContact O-N 3.04Å; F269-L287 HydrophobicContact CB-CD1 3.98Å; F269-L287 WeakPolarHBondContact O-CD1 3.46Å; F269-T296 HydrophobicContact CD1-CG2 4Å; F269-T296 HydrophobicContact CE1-CG2 4.46Å; F269-L299 HydrophobicContact CB-CD1 3.74Å; F269-L299 HydrophobicContact CD1-CD1 3.34Å; F269-L299 HydrophobicContact CE1-CD1 4.26Å; F269-L299 HydrophobicContact CG-CD1 3.89Å; F269-L471 HydrophobicContact CD2-CD1 3.66Å; F269-L471 HydrophobicContact CE2-CD1 3.32Å; F269-L471 HydrophobicContact CZ-CD1 4.05Å
270	R	88.9	Confident	67.7	Low	131 Å²	131	101.1 Å²	101.1	49%	0.494	52%	0.523	S	S	.	.			trans	-125.6	154.7	177.6	65.4	-175.8	177.1	-151.3	-0.6	111.3	I268 R272 L275	I268-R270 PolarHBondContact O-N 3.46Å; R270-R272 PolarHBondContact O-N 3.2Å; R270-L275 WeakPolarHBondContact CD-O 3.43Å
271	C	91.6	Very high	69	Low	0 Å²	0	99.3 Å²	99.3	0%	0	51%	0.514	C	S	.	.			trans	-64.9	129.7	173.6	175.7	0	0	0	0	109.8	I273 C274 L275 D276 L287 L299 H301	C271-I273 PolarHBondContact O-N 3.19Å; C271-I273 PolarHBondContact SG-N 3.38Å; C271-I273 VanDerWaalsContact SG-N 3.41Å; C271-C274 WeakPolarHBondContact CB-SG 3.4Å; C271-L275 WeakPolarHBondContact O-CA 3.14Å; C271-L275 PolarHBondContact O-N 3.02Å; C271-D276 VanDerWaalsContact CB-O 3.25Å; C271-D276 WeakPolarHBondContact CB-O 3.45Å; C271-D276 PolarHBondContact N-O 3.12Å; C271-L287 VanDerWaalsContact CA-CD2 3.47Å; C271-L287 HydrophobicContact CB-CD2 3.62Å; C271-L287 VanDerWaalsContact N-CD2 3.3Å; C271-L299 CarbonylContact C-O 3.55Å; C271-L299 WeakPolarHBondContact CA-O 3.21Å; C271-H301 WeakPolarHBondContact CB-CE1 3.3Å; C271-H301 VanDerWaalsContact CB-ND1 3.34Å; C271-H301 WeakPolarHBondContact CB-ND1 3.34Å; C271-H301 PolarHBondContact SG-N 3.45Å; C271-H301 VanDerWaalsContact SG-N 3.36Å; C271-H301 PolarHBondContact SG-ND1 3.34Å; C271-H301 VanDerWaalsContact SG-ND1 3.41Å
272	R	90.2	Very high	70.2	Confident	78 Å²	78	98.4 Å²	98.4	29%	0.294	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.7	176.8	173	176.2	170.1	-134.3	-14.7	113.7	R270 V297 L299 V300 E318	R270-R272 PolarHBondContact O-N 3.2Å; R272-V297 VanDerWaalsContact CD-CG2 3.49Å; R272-V297 WeakPolarHBondContact CD-O 3.18Å; R272-V297 HydrophobicContact CG-CG2 4.45Å; R272-L299 PolarHBondContact N-O 3.08Å; R272-V300 HydrophobicContact CB-CG1 4.24Å; R272-E318 IonicContact CZ-OE1 3.03Å; R272-E318 IonicContact NH1-OE1 2.94Å; R272-E318 PolarHBondContact NH1-OE1 2.73Å; R272-E318 IonicContact NH2-OE1 2.67Å; R272-E318 PolarHBondContact NH2-OE1 3.39Å
273	I	88.5	Confident	71.1	Confident	69 Å²	69	99.9 Å²	99.9	35%	0.354	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-50.6	-173.2	-61.8	170	0	0	0	111.4	C271 V300 C304 W308	C271-I273 PolarHBondContact O-N 3.19Å; C271-I273 PolarHBondContact SG-N 3.38Å; C271-I273 VanDerWaalsContact SG-N 3.41Å; I273-V300 HydrophobicContact CD1-CB 4.08Å; I273-V300 HydrophobicContact CD1-CG1 3.77Å; I273-V300 HydrophobicContact CG1-CG1 3.92Å; I273-C304 HydrophobicContact CB-CB 3.88Å; I273-C304 HydrophobicContact CD1-CB 3.83Å; I273-C304 WeakPolarHBondContact CD1-O 3.39Å; I273-C304 HydrophobicContact CG1-CB 4.43Å; I273-C304 HydrophobicContact CG2-CB 3.93Å; I273-W308 HydrophobicContact CD1-CB 4.04Å
274	C	91	Very high	72.4	Confident	35 Å²	35	97.2 Å²	97.2	24%	0.236	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9	178.6	63.1	0	0	0	0	113.9	C271 D276 H301	C271-C274 WeakPolarHBondContact CB-SG 3.4Å; C274-D276 PolarHBondContact O-N 3.29Å; C274-H301 PolarHBondContact SG-CE1 3.48Å; C274-H301 PolarHBondContact SG-ND1 3.23Å
275	L	88.6	Confident	73.7	Confident	110 Å²	110	92.7 Å²	92.7	58%	0.576	47%	0.471	S	S	*	.			trans	65.9	12	-176.6	-52.8	174.7	0	0	0	115	R270 C271	R270-L275 WeakPolarHBondContact CD-O 3.43Å; C271-L275 WeakPolarHBondContact O-CA 3.14Å; C271-L275 PolarHBondContact O-N 3.02Å
276	D	85.4	Confident	75.5	Confident	58 Å²	58	90.9 Å²	90.9	31%	0.31	46%	0.458	S	S	.	.			trans	-106.1	155.4	177.6	-66.1	-42.7	0	0	0	113.3	C271 C274 N278 H280 H301	C271-D276 VanDerWaalsContact CB-O 3.25Å; C271-D276 WeakPolarHBondContact CB-O 3.45Å; C271-D276 PolarHBondContact N-O 3.12Å; C274-D276 PolarHBondContact O-N 3.29Å; D276-N278 WeakPolarHBondContact CB-O 3.3Å; D276-H280 IonicContact OD2-CE1 3.7Å; D276-H280 PolarHBondContact OD2-CE1 2.89Å; D276-H280 IonicContact OD2-ND1 3.11Å; D276-H280 IonicContact OD2-NE2 2.67Å; D276-H280 PolarHBondContact OD2-NE2 3.45Å; D276-H280 VanDerWaalsContact OD2-NE2 3.11Å; D276-H301 PolarHBondContact O-CE1 2.88Å
277	E	81.6	Confident	76.8	Confident	103 Å²	103	86.1 Å²	86.1	48%	0.481	43%	0.433	S	S	.	.	S	Bend	trans	-74.4	-41.1	174.2	-56.5	179.1	-168.9	0	0	110.9	I268 H301	I268-E277 HydrophobicContact CG2-CG 4.1Å; I268-E277 WeakPolarHBondContact CG2-OE1 3.08Å; E277-H301 PolarHBondContact O-NE2 2.85Å
278	N	76	Confident	78	Confident	90 Å²	90	80.4 Å²	80.4	48%	0.481	41%	0.405	S	S	.	.	S	Bend	trans	-109.3	145.9	-178.3	-63.1	-45	0	0	0	111	D276 H301	D276-N278 WeakPolarHBondContact CB-O 3.3Å; N278-H301 VanDerWaalsContact C-CE1 3.47Å; N278-H301 VanDerWaalsContact C-NE2 3.34Å; N278-H301 PolarHBondContact O-CE1 2.9Å
279	D	68.4	Low	78.7	Confident	12 Å²	12	76.9 Å²	76.9	6%	0.064	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-68.6	132.9	171.1	170.7	35.9	0	0	0	108.9	N281 N282 E285 H301 K303	D279-N281 PolarHBondContact O-N 3.49Å; D279-N282 CarbonylContact O-C 3.52Å; D279-N282 PolarHBondContact O-N 2.92Å; D279-N282 VanDerWaalsContact O-N 3.08Å; D279-E285 HydrophobicContact CB-CB 4.12Å; D279-H301 PolarHBondContact N-NE2 2.94Å; D279-K303 VanDerWaalsContact OD2-CD 3.28Å; D279-K303 WeakPolarHBondContact OD2-CD 3.26Å; D279-K303 WeakPolarHBondContact OD2-CE 3.43Å; D279-K303 IonicContact OD2-NZ 2.82Å; D279-K303 PolarHBondContact OD2-NZ 3.19Å
280	H	61.9	Low	78.8	Confident	144 Å²	144	73 Å²	73	67%	0.667	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-13.2	178.5	-67.8	-56	0	0	0	114.5	D276	D276-H280 IonicContact OD2-CE1 3.7Å; D276-H280 PolarHBondContact OD2-CE1 2.89Å; D276-H280 IonicContact OD2-ND1 3.11Å; D276-H280 IonicContact OD2-NE2 2.67Å; D276-H280 PolarHBondContact OD2-NE2 3.45Å; D276-H280 VanDerWaalsContact OD2-NE2 3.11Å
281	N	62	Low	78.8	Confident	122 Å²	122	67 Å²	67	65%	0.652	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-9.6	-176.9	-59.3	-71.3	0	0	0	114.5	D279	D279-N281 PolarHBondContact O-N 3.49Å
282	N	61.4	Low	78.5	Confident	73 Å²	73	74.2 Å²	74.2	39%	0.39	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-149.3	109.1	-179.1	-82.3	-18.3	0	0	0	109.6	D279 T284 E285 K303	D279-N282 CarbonylContact O-C 3.52Å; D279-N282 PolarHBondContact O-N 2.92Å; D279-N282 VanDerWaalsContact O-N 3.08Å; N282-T284 PolarHBondContact O-N 3.22Å; N282-E285 HydrophobicContact CB-CB 4.22Å; N282-E285 PolarHBondContact O-N 3.48Å; N282-K303 VanDerWaalsContact CG-NZ 3.34Å; N282-K303 WeakPolarHBondContact ND2-CE 3.49Å; N282-K303 PolarHBondContact ND2-NZ 3.47Å
283	E	59	Low	78.4	Confident	180 Å²	180	71.7 Å²	71.7	84%	0.841	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-0.1	178.6	-55.5	179.1	-166.4	0	0	113.7
284	T	63.4	Low	78.3	Confident	123 Å²	123	77.5 Å²	77.5	76%	0.755	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	4.4	-173.5	58	0	0	0	0	114.2	N282 S286	N282-T284 PolarHBondContact O-N 3.22Å; T284-S286 PolarHBondContact O-N 3.49Å
285	E	68.8	Low	78	Confident	27 Å²	27	78.7 Å²	78.7	13%	0.126	41%	0.414	C	S	.	.			trans	-81.5	102.5	-178	-165.9	172.7	146.5	0	0	111.6	D279 N282 R302 K303	D279-E285 HydrophobicContact CB-CB 4.12Å; N282-E285 HydrophobicContact CB-CB 4.22Å; N282-E285 PolarHBondContact O-N 3.48Å; E285-R302 VanDerWaalsContact OE1-CA 3.28Å; E285-R302 WeakPolarHBondContact OE1-CA 2.97Å; E285-R302 WeakPolarHBondContact OE1-CB 3.39Å; E285-R302 PolarHBondContact OE1-N 3.49Å; E285-K303 PolarHBondContact OE1-N 3.48Å; E285-K303 VanDerWaalsContact OE2-CE 3.31Å; E285-K303 WeakPolarHBondContact OE2-CE 3.46Å; E285-K303 IonicContact OE2-NZ 2.7Å
286	S	79	Confident	77.9	Confident	76 Å²	76	76 Å²	76	53%	0.531	40%	0.402	S	S	.	.			trans	-63.4	140.7	176.5	-49.1	0	0	0	0	112.5	T284	T284-S286 PolarHBondContact O-N 3.49Å
287	L	86.7	Confident	77.9	Confident	44 Å²	44	75.8 Å²	75.8	23%	0.23	40%	0.403	C	S	.	.			trans	-60.6	132.7	171.4	-69.6	156.7	0	0	0	110.6	F269 C271 L299	F269-L287 HydrophobicContact CB-CD1 3.98Å; F269-L287 WeakPolarHBondContact O-CD1 3.46Å; C271-L287 VanDerWaalsContact CA-CD2 3.47Å; C271-L287 HydrophobicContact CB-CD2 3.62Å; C271-L287 VanDerWaalsContact N-CD2 3.3Å; L287-L299 HydrophobicContact CB-CB 4.27Å; L287-L299 HydrophobicContact CD1-CD1 4.49Å; L287-L299 HydrophobicContact CD2-CB 4.25Å
288	L	87.2	Confident	78.2	Confident	18 Å²	18	71 Å²	71	9%	0.094	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-112.2	151.3	177.4	61.8	79.4	0	0	0	111.5	P290 L299 V300 R302 L305 I460	L288-P290 HydrophobicContact CD1-CB 3.7Å; L288-P290 HydrophobicContact CD1-CG 3.77Å; L288-P290 WeakPolarHBondContact O-CD 3.49Å; L288-L299 WeakPolarHBondContact O-CA 3.05Å; L288-V300 HydrophobicContact CD1-CG2 3.58Å; L288-V300 HydrophobicContact CG-CG2 4.36Å; L288-V300 WeakPolarHBondContact CG-O 3.36Å; L288-V300 PolarHBondContact N-O 2.96Å; L288-V300 PolarHBondContact O-N 3.17Å; L288-R302 HydrophobicContact CD2-CB 3.77Å; L288-R302 HydrophobicContact CD2-CG 4.43Å; L288-L305 HydrophobicContact CD1-CD2 4Å; L288-I460 HydrophobicContact CD1-CG2 3.77Å; L288-I460 HydrophobicContact CD2-CB 4.3Å; L288-I460 HydrophobicContact CD2-CG2 4.03Å
289	S	88.4	Confident	78.9	Confident	31 Å²	31	68 Å²	68	22%	0.217	37%	0.365	C	S	.	.			trans	-108.5	89.5	175.9	66.9	0	0	0	0	111	C291 G298	S289-C291 VanDerWaalsContact C-N 3.34Å; S289-C291 PolarHBondContact O-N 3.42Å; S289-G298 WeakPolarHBondContact CA-O 3.34Å
290	P	86.3	Confident	79.9	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.058	37%	0.365	C	S	.	.			trans	-86.3	-6.9	-169.6	36.5	-33.6	0	0	0	112.6	L288 G298 V300 L305 Y322 Y324 I460	L288-P290 HydrophobicContact CD1-CB 3.7Å; L288-P290 HydrophobicContact CD1-CG 3.77Å; L288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-G298 WeakPolarHBondContact CD-O 3.25Å; P290-V300 HydrophobicContact CG-CG2 3.69Å; P290-L305 HydrophobicContact CB-CD2 3.64Å; P290-L305 HydrophobicContact CG-CD2 3.77Å; P290-Y322 WeakPolarHBondContact O-CD1 3.43Å; P290-Y324 HydrophobicContact CB-CD1 3.7Å; P290-Y324 HydrophobicContact CB-CE1 3.73Å; P290-Y324 HydrophobicContact CG-CD1 4.22Å; P290-Y324 HydrophobicContact CG-CE1 3.71Å; P290-Y324 WeakPolarHBondContact O-CD1 3.22Å; P290-I460 HydrophobicContact CB-CG2 3.95Å
291	C	89.3	Confident	81.2	Confident	5 Å²	5	61 Å²	61	3%	0.034	33%	0.333	C	S	.	.	S	Bend	trans	-130.9	-171.7	-170.7	67	0	0	0	0	113.5	S289 C293 C317 Y322 Y324 R463	S289-C291 VanDerWaalsContact C-N 3.34Å; S289-C291 PolarHBondContact O-N 3.42Å; C291-C293 VanDerWaalsContact SG-CB 3.57Å; C291-C293 PolarHBondContact SG-SG 3.41Å; C291-C317 HydrophobicContact CB-CB 3.76Å; C291-Y322 HydrophobicContact CB-CD1 4.46Å; C291-Y324 HydrophobicContact CB-CE1 4.03Å; C291-R463 PolarHBondContact O-NH2 2.93Å
292	R	84.9	Confident	82.4	Confident	151 Å²	151	59.7 Å²	59.7	57%	0.57	32%	0.319	S	S	*	.	S	Bend	trans	-97.8	9.9	176.9	-63.3	-175.4	-179.5	-108.5	3.9	114.7	C320 Y322 R463	R292-C320 HydrophobicContact CB-CB 4.47Å; R292-C320 PolarHBondContact N-SG 3.24Å; R292-Y322 HydrophobicContact CG-CD2 3.81Å; R292-Y322 HydrophobicContact CG-CE2 4.31Å; R292-Y322 HydrophobicContact CG-CG 4Å; R292-R463 VanDerWaalsContact CA-NH2 3.34Å
293	C	89.5	Confident	83.6	Confident	25 Å²	25	59.6 Å²	59.6	17%	0.169	32%	0.315	C	S	.	.			trans	-65.6	141.7	174.1	-61	0	0	0	0	111.5	C291 V297	C291-C293 VanDerWaalsContact SG-CB 3.57Å; C291-C293 PolarHBondContact SG-SG 3.41Å; C293-V297 HydrophobicContact CB-CG1 3.7Å
294	K	85.4	Confident	85.1	Confident	192 Å²	192	51.9 Å²	51.9	84%	0.835	28%	0.281	S	S	*	.			trans	-91.9	147.8	177.8	-63.6	-178.1	179.8	-179.8	0	110.3	V297	K294-V297 VanDerWaalsContact O-CG1 3.3Å; K294-V297 WeakPolarHBondContact O-CG1 3.39Å
295	G	85.6	Confident	86.3	Confident	60 Å²	60	46.1 Å²	46.1	62%	0.619	25%	0.245	S	C	*	.	S	Bend	trans	74.8	-163.1	177.1	0	0	0	0	0	114.3	V297 G298	G295-V297 PolarHBondContact O-N 2.82Å; G295-G298 PolarHBondContact O-N 3.46Å
296	T	85.2	Confident	87.1	Confident	53 Å²	53	48 Å²	48	33%	0.325	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.7	-22.8	-175.3	54.5	0	0	0	0	113.7	F269 G298 L299	F269-T296 HydrophobicContact CD1-CG2 4Å; F269-T296 HydrophobicContact CE1-CG2 4.46Å; T296-G298 PolarHBondContact O-N 3.36Å; T296-L299 WeakPolarHBondContact O-CB 3.47Å; T296-L299 PolarHBondContact O-N 2.97Å; T296-L299 VanDerWaalsContact O-N 3.08Å
297	V	87	Confident	87.5	Confident	54 Å²	54	51.7 Å²	51.7	33%	0.327	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.5	178	84.2	0	0	0	0	112.9	R272 C293 K294 G295 L299 L319	R272-V297 VanDerWaalsContact CD-CG2 3.49Å; R272-V297 WeakPolarHBondContact CD-O 3.18Å; R272-V297 HydrophobicContact CG-CG2 4.45Å; C293-V297 HydrophobicContact CB-CG1 3.7Å; K294-V297 VanDerWaalsContact O-CG1 3.3Å; K294-V297 WeakPolarHBondContact O-CG1 3.39Å; G295-V297 PolarHBondContact O-N 2.82Å; V297-L299 VanDerWaalsContact C-N 3.34Å; V297-L319 HydrophobicContact CG1-CD1 4.34Å; V297-L319 HydrophobicContact CG2-CD1 3.53Å
298	G	87.4	Confident	87.6	Confident	3 Å²	3	54.7 Å²	54.7	3%	0.031	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-82.4	-7	175.7	0	0	0	0	0	114.3	S289 P290 G295 T296	S289-G298 WeakPolarHBondContact CA-O 3.34Å; P290-G298 WeakPolarHBondContact CD-O 3.25Å; G295-G298 PolarHBondContact O-N 3.46Å; T296-G298 PolarHBondContact O-N 3.36Å
299	L	89.5	Confident	87.6	Confident	26 Å²	26	54 Å²	54	14%	0.136	27%	0.265	C	S	.	.			trans	-98.5	131.4	-171.9	-60.2	179.1	0	0	0	112	F269 C271 R272 L287 L288 T296 V297	F269-L299 HydrophobicContact CB-CD1 3.74Å; F269-L299 HydrophobicContact CD1-CD1 3.34Å; F269-L299 HydrophobicContact CE1-CD1 4.26Å; F269-L299 HydrophobicContact CG-CD1 3.89Å; C271-L299 CarbonylContact C-O 3.55Å; C271-L299 WeakPolarHBondContact CA-O 3.21Å; R272-L299 PolarHBondContact N-O 3.08Å; L287-L299 HydrophobicContact CB-CB 4.27Å; L287-L299 HydrophobicContact CD1-CD1 4.49Å; L287-L299 HydrophobicContact CD2-CB 4.25Å; L288-L299 WeakPolarHBondContact O-CA 3.05Å; T296-L299 WeakPolarHBondContact O-CB 3.47Å; T296-L299 PolarHBondContact O-N 2.97Å; T296-L299 VanDerWaalsContact O-N 3.08Å; V297-L299 VanDerWaalsContact C-N 3.34Å
300	V	89.7	Confident	87.4	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-146.5	155.7	178	-62.8	0	0	0	0	111	R272 I273 L288 P290 L305	R272-V300 HydrophobicContact CB-CG1 4.24Å; I273-V300 HydrophobicContact CD1-CB 4.08Å; I273-V300 HydrophobicContact CD1-CG1 3.77Å; I273-V300 HydrophobicContact CG1-CG1 3.92Å; L288-V300 HydrophobicContact CD1-CG2 3.58Å; L288-V300 HydrophobicContact CG-CG2 4.36Å; L288-V300 WeakPolarHBondContact CG-O 3.36Å; L288-V300 PolarHBondContact N-O 2.96Å; L288-V300 PolarHBondContact O-N 3.17Å; P290-V300 HydrophobicContact CG-CG2 3.69Å; V300-L305 HydrophobicContact CG2-CB 3.89Å; V300-L305 HydrophobicContact CG2-CD1 4.46Å; V300-L305 HydrophobicContact CG2-CD2 4.13Å; V300-L305 HydrophobicContact CG2-CG 4.4Å
301	H	90.3	Very high	87.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.311	C	S	.	.			trans	-73.6	152.2	165.8	-57.3	114.7	0	0	0	110.5	C271 C274 D276 E277 N278 D279 K303 C304 L305	C271-H301 WeakPolarHBondContact CB-CE1 3.3Å; C271-H301 VanDerWaalsContact CB-ND1 3.34Å; C271-H301 WeakPolarHBondContact CB-ND1 3.34Å; C271-H301 PolarHBondContact SG-N 3.45Å; C271-H301 VanDerWaalsContact SG-N 3.36Å; C271-H301 PolarHBondContact SG-ND1 3.34Å; C271-H301 VanDerWaalsContact SG-ND1 3.41Å; C274-H301 PolarHBondContact SG-CE1 3.48Å; C274-H301 PolarHBondContact SG-ND1 3.23Å; D276-H301 PolarHBondContact O-CE1 2.88Å; E277-H301 PolarHBondContact O-NE2 2.85Å; N278-H301 VanDerWaalsContact C-CE1 3.47Å; N278-H301 VanDerWaalsContact C-NE2 3.34Å; N278-H301 PolarHBondContact O-CE1 2.9Å; D279-H301 PolarHBondContact N-NE2 2.94Å; H301-K303 VanDerWaalsContact C-N 3.33Å; H301-K303 PolarHBondContact O-N 3.45Å; H301-C304 HydrophobicContact CB-CB 3.93Å; H301-C304 PolarHBondContact O-N 2.69Å; H301-L305 WeakPolarHBondContact O-CB 3.38Å; H301-L305 PolarHBondContact O-N 3.05Å
302	R	86.2	Confident	87.3	Confident	94 Å²	94	64 Å²	64	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-45.9	175.4	179.4	-175.2	-62.2	-73	-6.4	110.6	E285 L288 L305 E306 I460	E285-R302 VanDerWaalsContact OE1-CA 3.28Å; E285-R302 WeakPolarHBondContact OE1-CA 2.97Å; E285-R302 WeakPolarHBondContact OE1-CB 3.39Å; E285-R302 PolarHBondContact OE1-N 3.49Å; L288-R302 HydrophobicContact CD2-CB 3.77Å; L288-R302 HydrophobicContact CD2-CG 4.43Å; R302-L305 PolarHBondContact O-N 2.87Å; R302-E306 WeakPolarHBondContact O-CB 3.44Å; R302-E306 PolarHBondContact O-N 3.46Å; R302-I460 HydrophobicContact CG-CD1 4.05Å; R302-I460 PolarHBondContact NH1-O 3.3Å; R302-I460 PolarHBondContact NH2-O 3.35Å
303	K	86.2	Confident	87.1	Confident	72 Å²	72	58.9 Å²	58.9	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-41.5	178.3	-65.9	-173.8	-160.3	157.7	0	112.8	D279 N282 E285 H301 L305 E306 K307	D279-K303 VanDerWaalsContact OD2-CD 3.28Å; D279-K303 WeakPolarHBondContact OD2-CD 3.26Å; D279-K303 WeakPolarHBondContact OD2-CE 3.43Å; D279-K303 IonicContact OD2-NZ 2.82Å; D279-K303 PolarHBondContact OD2-NZ 3.19Å; N282-K303 VanDerWaalsContact CG-NZ 3.34Å; N282-K303 WeakPolarHBondContact ND2-CE 3.49Å; N282-K303 PolarHBondContact ND2-NZ 3.47Å; E285-K303 PolarHBondContact OE1-N 3.48Å; E285-K303 VanDerWaalsContact OE2-CE 3.31Å; E285-K303 WeakPolarHBondContact OE2-CE 3.46Å; E285-K303 IonicContact OE2-NZ 2.7Å; H301-K303 VanDerWaalsContact C-N 3.33Å; H301-K303 PolarHBondContact O-N 3.45Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.34Å; K303-E306 PolarHBondContact O-N 3.25Å; K303-K307 WeakPolarHBondContact O-CB 3.48Å; K303-K307 PolarHBondContact O-N 3.15Å
304	C	90.2	Very high	86.8	Confident	18 Å²	18	64.5 Å²	64.5	12%	0.122	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-44.7	176.8	-71.2	0	0	0	0	111.1	I273 H301 K307 W308	I273-C304 HydrophobicContact CB-CB 3.88Å; I273-C304 HydrophobicContact CD1-CB 3.83Å; I273-C304 WeakPolarHBondContact CD1-O 3.39Å; I273-C304 HydrophobicContact CG1-CB 4.43Å; I273-C304 HydrophobicContact CG2-CB 3.93Å; H301-C304 HydrophobicContact CB-CB 3.93Å; H301-C304 PolarHBondContact O-N 2.69Å; C304-K307 PolarHBondContact O-N 3.18Å; C304-W308 WeakPolarHBondContact O-CB 3.23Å; C304-W308 PolarHBondContact O-N 3.29Å
305	L	88.9	Confident	86.8	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-44.5	175.6	-177.2	61.9	0	0	0	112.1	L288 P290 V300 H301 R302 K303 K307 W308 L309 Y324 I460	L288-L305 HydrophobicContact CD1-CD2 4Å; P290-L305 HydrophobicContact CB-CD2 3.64Å; P290-L305 HydrophobicContact CG-CD2 3.77Å; V300-L305 HydrophobicContact CG2-CB 3.89Å; V300-L305 HydrophobicContact CG2-CD1 4.46Å; V300-L305 HydrophobicContact CG2-CD2 4.13Å; V300-L305 HydrophobicContact CG2-CG 4.4Å; H301-L305 WeakPolarHBondContact O-CB 3.38Å; H301-L305 PolarHBondContact O-N 3.05Å; R302-L305 PolarHBondContact O-N 2.87Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.34Å; L305-K307 VanDerWaalsContact C-N 3.34Å; L305-K307 PolarHBondContact O-N 3.39Å; L305-W308 PolarHBondContact O-N 3.31Å; L305-L309 HydrophobicContact CD1-CD1 4.17Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 3.93Å; L305-L309 HydrophobicContact CG-CG 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 VanDerWaalsContact O-CG 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.19Å; L305-L309 PolarHBondContact O-N 3.2Å; L305-Y324 HydrophobicContact CD1-CE1 4.25Å; L305-Y324 HydrophobicContact CD1-CE2 4.18Å; L305-I460 HydrophobicContact CB-CD1 4.44Å; L305-I460 HydrophobicContact CD2-CB 4.38Å; L305-I460 HydrophobicContact CD2-CD1 3.75Å; L305-I460 HydrophobicContact CD2-CG1 3.68Å; L305-I460 HydrophobicContact CD2-CG2 3.94Å; L305-I460 HydrophobicContact CG-CD1 4.21Å
306	E	86.3	Confident	86.9	Confident	68 Å²	68	58.4 Å²	58.4	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-58.1	-46.7	176.3	175.6	165.6	-148.8	0	0	111.3	R302 K303 W308 L309 L310 F458	R302-E306 WeakPolarHBondContact O-CB 3.44Å; R302-E306 PolarHBondContact O-N 3.46Å; K303-E306 PolarHBondContact O-N 3.25Å; E306-W308 PolarHBondContact O-N 3.15Å; E306-L309 PolarHBondContact O-N 3.11Å; E306-L310 HydrophobicContact CG-CD1 3.98Å; E306-L310 WeakPolarHBondContact O-CB 3.34Å; E306-L310 VanDerWaalsContact O-CG 3.23Å; E306-L310 WeakPolarHBondContact O-CG 3.35Å; E306-L310 PolarHBondContact O-N 2.82Å; E306-F458 HydrophobicContact CB-CD2 4.21Å; E306-F458 HydrophobicContact CG-CD2 3.92Å; E306-F458 HydrophobicContact CG-CE2 4.27Å
307	K	87.1	Confident	87.1	Confident	152 Å²	152	56 Å²	56	66%	0.661	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-43.4	175.4	-173.5	177.6	-179.7	-177.9	0	112.1	K303 C304 L305 L310 T311	K303-K307 WeakPolarHBondContact O-CB 3.48Å; K303-K307 PolarHBondContact O-N 3.15Å; C304-K307 PolarHBondContact O-N 3.18Å; L305-K307 VanDerWaalsContact C-N 3.34Å; L305-K307 PolarHBondContact O-N 3.39Å; K307-L310 PolarHBondContact O-N 3.43Å; K307-T311 WeakPolarHBondContact O-CB 3.34Å; K307-T311 PolarHBondContact O-N 3.45Å; K307-T311 PolarHBondContact O-OG1 2.99Å
308	W	88.5	Confident	87.2	Confident	108 Å²	108	57.4 Å²	57.4	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.8	-179.5	-109	0	0	0	111.9	I273 C304 L305 E306 T311 S312 E318	I273-W308 HydrophobicContact CD1-CB 4.04Å; C304-W308 WeakPolarHBondContact O-CB 3.23Å; C304-W308 PolarHBondContact O-N 3.29Å; L305-W308 PolarHBondContact O-N 3.31Å; E306-W308 PolarHBondContact O-N 3.15Å; W308-T311 PolarHBondContact O-N 3.39Å; W308-S312 WeakPolarHBondContact O-CB 3.38Å; W308-S312 PolarHBondContact O-N 3.48Å; W308-S312 PolarHBondContact O-OG 3.41Å; W308-E318 PolarHBondContact NE1-OE2 3.44Å; W308-E318 VanDerWaalsContact NE1-OE2 3.17Å
309	L	88.1	Confident	87.3	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-40.5	179.5	-67	172.3	0	0	0	112.3	L305 E306 T311 G313 K314 Y324 M326 F458	L305-L309 HydrophobicContact CD1-CD1 4.17Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 3.93Å; L305-L309 HydrophobicContact CG-CG 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 VanDerWaalsContact O-CG 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.19Å; L305-L309 PolarHBondContact O-N 3.2Å; E306-L309 PolarHBondContact O-N 3.11Å; L309-T311 VanDerWaalsContact C-N 3.32Å; L309-T311 PolarHBondContact O-N 3.29Å; L309-G313 PolarHBondContact O-N 2.8Å; L309-K314 WeakPolarHBondContact CD2-O 3.49Å; L309-Y324 HydrophobicContact CD1-CD2 4.41Å; L309-Y324 HydrophobicContact CD2-CD2 3.58Å; L309-Y324 HydrophobicContact CD2-CE2 3.7Å; L309-M326 HydrophobicContact CD1-CE 4.05Å; L309-M326 HydrophobicContact CD2-CE 4.38Å; L309-F458 HydrophobicContact CB-CE1 4.22Å; L309-F458 HydrophobicContact CB-CE2 3.69Å; L309-F458 HydrophobicContact CB-CZ 3.36Å; L309-F458 HydrophobicContact CD1-CD1 3.93Å; L309-F458 HydrophobicContact CD1-CD2 4.21Å; L309-F458 HydrophobicContact CD1-CE1 3.54Å; L309-F458 HydrophobicContact CD1-CE2 3.85Å; L309-F458 HydrophobicContact CD1-CG 4.24Å; L309-F458 HydrophobicContact CD1-CZ 3.48Å; L309-F458 VanDerWaalsContact CD1-CZ 3.48Å; L309-F458 HydrophobicContact CG-CE1 4.45Å; L309-F458 HydrophobicContact CG-CE2 4.42Å; L309-F458 HydrophobicContact CG-CZ 4.02Å
310	L	84.1	Confident	87.3	Confident	103 Å²	103	63 Å²	63	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-37.3	175.7	-71.9	170.2	0	0	0	112.2	E306 K307	E306-L310 HydrophobicContact CG-CD1 3.98Å; E306-L310 WeakPolarHBondContact O-CB 3.34Å; E306-L310 VanDerWaalsContact O-CG 3.23Å; E306-L310 WeakPolarHBondContact O-CG 3.35Å; E306-L310 PolarHBondContact O-N 2.82Å; K307-L310 PolarHBondContact O-N 3.43Å
311	T	85.9	Confident	87.1	Confident	114 Å²	114	65 Å²	65	70%	0.699	35%	0.347	S	S	*	.	H	α-helix	trans	-82.2	-40.1	-177.7	-49	0	0	0	0	112.2	K307 W308 L309	K307-T311 WeakPolarHBondContact O-CB 3.34Å; K307-T311 PolarHBondContact O-N 3.45Å; K307-T311 PolarHBondContact O-OG1 2.99Å; W308-T311 PolarHBondContact O-N 3.39Å; L309-T311 VanDerWaalsContact C-N 3.32Å; L309-T311 PolarHBondContact O-N 3.29Å
312	S	86.6	Confident	87	Confident	39 Å²	39	67.2 Å²	67.2	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-84.2	-23.3	-175.3	64.5	0	0	0	0	113.9	W308 K314	W308-S312 WeakPolarHBondContact O-CB 3.38Å; W308-S312 PolarHBondContact O-N 3.48Å; W308-S312 PolarHBondContact O-OG 3.41Å; S312-K314 PolarHBondContact O-N 3.34Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.19Å
313	G	81	Confident	86.9	Confident	43 Å²	43	65.3 Å²	65.3	44%	0.443	36%	0.36	S	S	.	.			trans	64.7	9.7	-174.8	0	0	0	0	0	114.5	L309	L309-G313 PolarHBondContact O-N 2.8Å
314	K	83.9	Confident	86.8	Confident	144 Å²	144	62.8 Å²	62.8	63%	0.626	35%	0.348	S	S	*	.			trans	-108.3	113.9	-174.8	-70.5	175.1	-175.2	176.9	0	110.4	L309 S312 N316	L309-K314 WeakPolarHBondContact CD2-O 3.49Å; S312-K314 PolarHBondContact O-N 3.34Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.19Å; K314-N316 PolarHBondContact O-N 3.35Å; K314-N316 VanDerWaalsContact O-N 3.15Å
315	P	84.9	Confident	86.2	Confident	46 Å²	46	65.5 Å²	65.5	30%	0.299	36%	0.361	S	S	.	.			trans	-79.5	13.5	179.7	33.4	-36.5	0	0	0	114.3	Y324 M326 Y456	P315-Y324 WeakPolarHBondContact O-CD2 3.45Å; P315-Y324 PolarHBondContact O-N 3.34Å; P315-M326 HydrophobicContact CB-CE 3.44Å; P315-M326 VanDerWaalsContact CB-CE 3.44Å; P315-M326 HydrophobicContact CB-SD 4.32Å; P315-Y456 HydrophobicContact CB-CE1 4.36Å
316	N	88.1	Confident	85.2	Confident	77 Å²	77	68.2 Å²	68.2	41%	0.412	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-123.3	147	-176.3	-56.2	-21.2	0	0	0	110	K314 E318 Y322 A323 Y324	K314-N316 PolarHBondContact O-N 3.35Å; K314-N316 VanDerWaalsContact O-N 3.15Å; N316-E318 PolarHBondContact O-N 3.46Å; N316-Y322 CarbonylContact C-O 3.58Å; N316-Y322 WeakPolarHBondContact CA-O 3.3Å; N316-A323 VanDerWaalsContact OD1-CA 3.26Å; N316-A323 WeakPolarHBondContact OD1-CA 3.5Å; N316-A323 VanDerWaalsContact OD1-CB 3.3Å; N316-A323 WeakPolarHBondContact OD1-CB 3.47Å; N316-Y324 VanDerWaalsContact C-CE2 3.47Å
317	C	90.1	Very high	84.1	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.02	37%	0.373	C	S	.	.			trans	-65.5	127.5	172.8	-177.7	0	0	0	0	111	C291 L319 G321 Y322 Y324	C291-C317 HydrophobicContact CB-CB 3.76Å; C317-L319 PolarHBondContact O-N 2.88Å; C317-G321 WeakPolarHBondContact O-CA 3.35Å; C317-G321 PolarHBondContact O-N 3.25Å; C317-Y322 PolarHBondContact N-O 3.05Å; C317-Y324 WeakPolarHBondContact CA-OH 3.36Å; C317-Y324 HydrophobicContact CB-CE1 4.09Å; C317-Y324 HydrophobicContact CB-CE2 4.43Å; C317-Y324 WeakPolarHBondContact CB-OH 3.39Å
318	E	88.3	Confident	82.7	Confident	84 Å²	84	65.5 Å²	65.5	39%	0.393	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.4	179.2	64.7	-68	147.2	0	0	114.9	R272 W308 N316	R272-E318 IonicContact CZ-OE1 3.03Å; R272-E318 IonicContact NH1-OE1 2.94Å; R272-E318 PolarHBondContact NH1-OE1 2.73Å; R272-E318 IonicContact NH2-OE1 2.67Å; R272-E318 PolarHBondContact NH2-OE1 3.39Å; W308-E318 PolarHBondContact NE1-OE2 3.44Å; W308-E318 VanDerWaalsContact NE1-OE2 3.17Å; N316-E318 PolarHBondContact O-N 3.46Å
319	L	89.2	Confident	81	Confident	95 Å²	95	62.9 Å²	62.9	50%	0.497	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-51.6	177.2	-63.5	-176	0	0	0	112.8	V297 C317	V297-L319 HydrophobicContact CG1-CD1 4.34Å; V297-L319 HydrophobicContact CG2-CD1 3.53Å; C317-L319 PolarHBondContact O-N 2.88Å
320	C	89.3	Confident	79.4	Confident	50 Å²	50	72.2 Å²	72.2	34%	0.338	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2	-172.9	77.1	0	0	0	0	114	R292 Y322	R292-C320 HydrophobicContact CB-CB 4.47Å; R292-C320 PolarHBondContact N-SG 3.24Å; C320-Y322 PolarHBondContact O-N 3.21Å; C320-Y322 WeakPolarHBondContact SG-CB 3.47Å
321	G	86.5	Confident	77.8	Confident	53 Å²	53	77.7 Å²	77.7	55%	0.546	43%	0.429	S	S	.	.			trans	67.2	2.6	-179.7	0	0	0	0	0	115.5	C317 A323	C317-G321 WeakPolarHBondContact O-CA 3.35Å; C317-G321 PolarHBondContact O-N 3.25Å; G321-A323 PolarHBondContact O-N 2.9Å
322	Y	87	Confident	75.9	Confident	46 Å²	46	79.4 Å²	79.4	18%	0.18	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-70.1	124.1	-175.6	-176.7	-103.7	0	0	0	110.8	P290 C291 R292 N316 C317 C320 Y324 I325	P290-Y322 WeakPolarHBondContact O-CD1 3.43Å; C291-Y322 HydrophobicContact CB-CD1 4.46Å; R292-Y322 HydrophobicContact CG-CD2 3.81Å; R292-Y322 HydrophobicContact CG-CE2 4.31Å; R292-Y322 HydrophobicContact CG-CG 4Å; N316-Y322 CarbonylContact C-O 3.58Å; N316-Y322 WeakPolarHBondContact CA-O 3.3Å; C317-Y322 PolarHBondContact N-O 3.05Å; C320-Y322 PolarHBondContact O-N 3.21Å; C320-Y322 WeakPolarHBondContact SG-CB 3.47Å; Y322-Y324 PolarHBondContact O-N 2.92Å; Y322-I325 WeakPolarHBondContact OH-CD1 3.45Å
323	A	84.8	Confident	74.3	Confident	54 Å²	54	83.1 Å²	83.1	45%	0.446	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-66.9	123.1	172.6	0	0	0	0	0	110.1	N316 G321 I325	N316-A323 VanDerWaalsContact OD1-CA 3.26Å; N316-A323 WeakPolarHBondContact OD1-CA 3.5Å; N316-A323 VanDerWaalsContact OD1-CB 3.3Å; N316-A323 WeakPolarHBondContact OD1-CB 3.47Å; G321-A323 PolarHBondContact O-N 2.9Å; A323-I325 PolarHBondContact O-N 3.27Å
324	Y	84.7	Confident	72.6	Confident	18 Å²	18	84 Å²	84	7%	0.071	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-65.3	134.1	178.6	-62	-62.7	0	0	0	110	P290 C291 L305 L309 P315 N316 C317 Y322 M326	P290-Y324 HydrophobicContact CB-CD1 3.7Å; P290-Y324 HydrophobicContact CB-CE1 3.73Å; P290-Y324 HydrophobicContact CG-CD1 4.22Å; P290-Y324 HydrophobicContact CG-CE1 3.71Å; P290-Y324 WeakPolarHBondContact O-CD1 3.22Å; C291-Y324 HydrophobicContact CB-CE1 4.03Å; L305-Y324 HydrophobicContact CD1-CE1 4.25Å; L305-Y324 HydrophobicContact CD1-CE2 4.18Å; L309-Y324 HydrophobicContact CD1-CD2 4.41Å; L309-Y324 HydrophobicContact CD2-CD2 3.58Å; L309-Y324 HydrophobicContact CD2-CE2 3.7Å; P315-Y324 WeakPolarHBondContact O-CD2 3.45Å; P315-Y324 PolarHBondContact O-N 3.34Å; N316-Y324 VanDerWaalsContact C-CE2 3.47Å; C317-Y324 WeakPolarHBondContact CA-OH 3.36Å; C317-Y324 HydrophobicContact CB-CE1 4.09Å; C317-Y324 HydrophobicContact CB-CE2 4.43Å; C317-Y324 WeakPolarHBondContact CB-OH 3.39Å; Y322-Y324 PolarHBondContact O-N 2.92Å; Y324-M326 HydrophobicContact CD2-CE 4.46Å; Y324-M326 WeakPolarHBondContact O-CG 3.33Å; Y324-M326 PolarHBondContact O-N 3.37Å
325	I	76.8	Confident	71	Confident	75 Å²	75	85.2 Å²	85.2	39%	0.385	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-76.6	117	176	-59	173.9	0	0	0	108.3	Y322 A323	Y322-I325 WeakPolarHBondContact OH-CD1 3.45Å; A323-I325 PolarHBondContact O-N 3.27Å
326	M	68.7	Low	69.2	Low	58 Å²	58	86.7 Å²	86.7	29%	0.286	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.1	-177.6	-52.5	170.4	-179.6	0	0	108.4	L309 P315 Y324 Y456 F458	L309-M326 HydrophobicContact CD1-CE 4.05Å; L309-M326 HydrophobicContact CD2-CE 4.38Å; P315-M326 HydrophobicContact CB-CE 3.44Å; P315-M326 VanDerWaalsContact CB-CE 3.44Å; P315-M326 HydrophobicContact CB-SD 4.32Å; Y324-M326 HydrophobicContact CD2-CE 4.46Å; Y324-M326 WeakPolarHBondContact O-CG 3.33Å; Y324-M326 PolarHBondContact O-N 3.37Å; M326-Y456 HydrophobicContact SD-CD1 4.28Å; M326-Y456 HydrophobicContact SD-CE1 4.35Å; M326-F458 HydrophobicContact CB-CD1 4.24Å; M326-F458 HydrophobicContact CE-CD1 3.95Å; M326-F458 HydrophobicContact CE-CE1 3.43Å; M326-F458 VanDerWaalsContact CE-CE1 3.43Å; M326-F458 HydrophobicContact CE-CZ 4.43Å; M326-F458 HydrophobicContact CG-CD1 3.68Å; M326-F458 HydrophobicContact CG-CE1 4.06Å; M326-F458 HydrophobicContact SD-CD1 3.6Å; M326-F458 VanDerWaalsContact SD-CD1 3.6Å; M326-F458 HydrophobicContact SD-CE1 3.34Å; M326-F458 WeakPolarHBondContact SD-CE1 3.09Å
327	T	62.9	Low	67.7	Low	50 Å²	50	88.1 Å²	88.1	31%	0.307	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135	169.6	46.8	0	0	0	0	109.7	S329 S459	T327-S329 PolarHBondContact O-N 2.83Å; T327-S459 PolarHBondContact O-OG 3.03Å; T327-S459 PolarHBondContact OG1-OG 2.98Å
328	P	57	Low	66.3	Low	113 Å²	113	92.5 Å²	92.5	73%	0.734	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	125.6	174.7	24.6	-31.7	0	0	0	108.8	K330	P328-K330 PolarHBondContact O-N 2.91Å
329	S	54	Low	64.9	Low	54 Å²	54	90.6 Å²	90.6	38%	0.378	50%	0.499	S	S	.	.			trans	-59.1	105.5	173.5	174.2	0	0	0	0	108.8	T327 R331	T327-S329 PolarHBondContact O-N 2.83Å; S329-R331 PolarHBondContact O-N 3.45Å; S329-R331 VanDerWaalsContact O-N 3.1Å
330	K	53.9	Low	63.4	Low	197 Å²	197	90.1 Å²	90.1	86%	0.857	50%	0.497	S	S	*	.			trans	-61.2	112.3	164.2	-66.7	-175.8	-179.1	-177.7	0	105.7	P328 H332	P328-K330 PolarHBondContact O-N 2.91Å; K330-H332 PolarHBondContact O-N 2.83Å
331	R	51.1	Low	61.9	Low	219 Å²	219	94.9 Å²	94.9	83%	0.826	52%	0.515	S	S	*	.			trans	-56.7	117.2	165.5	-79.1	-175.4	-175.2	169.5	1.5	105.5	S329 S333	S329-R331 PolarHBondContact O-N 3.45Å; S329-R331 VanDerWaalsContact O-N 3.1Å; R331-S333 PolarHBondContact O-N 2.89Å
332	H	46.2	Very low	60.7	Low	149 Å²	149	97.6 Å²	97.6	69%	0.69	52%	0.515	S	S	*	.			trans	-66.8	82.3	169.2	-162.4	-103.9	0	0	0	106.7	K330 S334	K330-H332 PolarHBondContact O-N 2.83Å; H332-S334 PolarHBondContact CD2-OG 3.38Å; H332-S334 PolarHBondContact CE1-OG 3.33Å; H332-S334 PolarHBondContact ND1-OG 2.86Å; H332-S334 VanDerWaalsContact ND1-OG 3.09Å; H332-S334 PolarHBondContact NE2-OG 3.45Å; H332-S334 PolarHBondContact O-N 3.16Å
333	S	52.2	Low	59.5	Low	118 Å²	118	100.2 Å²	100.2	83%	0.825	53%	0.525	S	S	*	.			trans	-90.7	56.1	168.7	72.3	0	0	0	0	108.3	R331	R331-S333 PolarHBondContact O-N 2.89Å
334	S	45.7	Very low	58.4	Low	61 Å²	61	106.5 Å²	106.5	43%	0.427	54%	0.537	S	S	.	.			trans	-125.6	146.7	169.2	50.9	0	0	0	0	106.4	H332	H332-S334 PolarHBondContact CD2-OG 3.38Å; H332-S334 PolarHBondContact CE1-OG 3.33Å; H332-S334 PolarHBondContact ND1-OG 2.86Å; H332-S334 VanDerWaalsContact ND1-OG 3.09Å; H332-S334 PolarHBondContact NE2-OG 3.45Å; H332-S334 PolarHBondContact O-N 3.16Å
335	Q	49.5	Very low	57.6	Low	169 Å²	169	112.5 Å²	112.5	79%	0.79	56%	0.564	S	S	*	*	S	Bend	trans	81.5	55.7	-169.4	-45.1	177.7	19.1	0	0	114.6
336	F	47.9	Very low	57.2	Low	78 Å²	78	111.5 Å²	111.5	34%	0.342	56%	0.563	S	S	.	*			trans	-166.9	81	132.3	-128.2	-59.6	0	0	0	115	T338 L339 N340	F336-T338 VanDerWaalsContact CE1-OG1 3.3Å; F336-T338 WeakPolarHBondContact CE1-OG1 3.4Å; F336-L339 HydrophobicContact CB-CB 4.4Å; F336-L339 HydrophobicContact CD1-CB 3.06Å; F336-L339 HydrophobicContact CD1-CD1 4.06Å; F336-L339 HydrophobicContact CD1-CG 3.59Å; F336-L339 HydrophobicContact CD2-CB 3.98Å; F336-L339 HydrophobicContact CD2-CD1 3.55Å; F336-L339 HydrophobicContact CD2-CG 4.05Å; F336-L339 VanDerWaalsContact CE1-CA 3.45Å; F336-L339 HydrophobicContact CE1-CB 3.11Å; F336-L339 HydrophobicContact CE1-CD1 3.61Å; F336-L339 HydrophobicContact CE1-CD2 4.39Å; F336-L339 HydrophobicContact CE1-CG 3.04Å; F336-L339 HydrophobicContact CE2-CB 4.03Å; F336-L339 HydrophobicContact CE2-CD1 3.05Å; F336-L339 HydrophobicContact CE2-CG 3.59Å; F336-L339 HydrophobicContact CG-CB 3.5Å; F336-L339 HydrophobicContact CG-CD1 4.01Å; F336-L339 HydrophobicContact CG-CG 4.04Å; F336-L339 HydrophobicContact CZ-CB 3.61Å; F336-L339 HydrophobicContact CZ-CD1 3.06Å; F336-L339 HydrophobicContact CZ-CD2 4.34Å; F336-L339 HydrophobicContact CZ-CG 3.02Å; F336-N340 WeakPolarHBondContact O-CB 3.41Å; F336-N340 PolarHBondContact O-N 3.34Å; F336-N340 PolarHBondContact O-ND2 3.33Å; F336-N340 PolarHBondContact O-OD1 3.49Å
337	S	56.2	Low	57.1	Low	107 Å²	107	113.1 Å²	113.1	75%	0.748	57%	0.573	S	S	*	*	H	α-helix	trans	-70.2	-38.3	173.5	52.8	0	0	0	0	112.9
338	T	59.9	Low	57.5	Low	95 Å²	95	114.8 Å²	114.8	58%	0.583	58%	0.578	S	S	*	*	H	α-helix	trans	-87.2	-45.6	-173.4	50.9	0	0	0	0	115.5	F336 N340 Q341 I342	F336-T338 VanDerWaalsContact CE1-OG1 3.3Å; F336-T338 WeakPolarHBondContact CE1-OG1 3.4Å; T338-N340 PolarHBondContact O-N 3.49Å; T338-Q341 WeakPolarHBondContact O-CB 3.46Å; T338-Q341 PolarHBondContact O-N 3.36Å; T338-I342 PolarHBondContact O-N 3.2Å
339	L	58.7	Low	58.2	Low	44 Å²	44	113.5 Å²	113.5	23%	0.23	56%	0.564	C	S	.	*	H	α-helix	trans	-66.4	-14.8	165	-67	172.5	0	0	0	111.2	I38 F336 Q341 I342 R343	I38-L339 HydrophobicContact CG2-CD1 4.48Å; F336-L339 HydrophobicContact CB-CB 4.4Å; F336-L339 HydrophobicContact CD1-CB 3.06Å; F336-L339 HydrophobicContact CD1-CD1 4.06Å; F336-L339 HydrophobicContact CD1-CG 3.59Å; F336-L339 HydrophobicContact CD2-CB 3.98Å; F336-L339 HydrophobicContact CD2-CD1 3.55Å; F336-L339 HydrophobicContact CD2-CG 4.05Å; F336-L339 VanDerWaalsContact CE1-CA 3.45Å; F336-L339 HydrophobicContact CE1-CB 3.11Å; F336-L339 HydrophobicContact CE1-CD1 3.61Å; F336-L339 HydrophobicContact CE1-CD2 4.39Å; F336-L339 HydrophobicContact CE1-CG 3.04Å; F336-L339 HydrophobicContact CE2-CB 4.03Å; F336-L339 HydrophobicContact CE2-CD1 3.05Å; F336-L339 HydrophobicContact CE2-CG 3.59Å; F336-L339 HydrophobicContact CG-CB 3.5Å; F336-L339 HydrophobicContact CG-CD1 4.01Å; F336-L339 HydrophobicContact CG-CG 4.04Å; F336-L339 HydrophobicContact CZ-CB 3.61Å; F336-L339 HydrophobicContact CZ-CD1 3.06Å; F336-L339 HydrophobicContact CZ-CD2 4.34Å; F336-L339 HydrophobicContact CZ-CG 3.02Å; L339-Q341 PolarHBondContact O-N 3.46Å; L339-I342 HydrophobicContact CD2-CB 4.26Å; L339-I342 HydrophobicContact CD2-CD1 3.99Å; L339-I342 HydrophobicContact CD2-CG2 4.45Å; L339-I342 PolarHBondContact O-N 2.7Å; L339-R343 WeakPolarHBondContact O-CA 3.28Å; L339-R343 WeakPolarHBondContact O-CB 3.39Å; L339-R343 PolarHBondContact O-N 3.08Å
340	N	57.5	Low	59.1	Low	85 Å²	85	117.6 Å²	117.6	46%	0.455	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-29.1	168.1	-84.2	-7.5	0	0	0	111.2	F336 T338 R343 R344	F336-N340 WeakPolarHBondContact O-CB 3.41Å; F336-N340 PolarHBondContact O-N 3.34Å; F336-N340 PolarHBondContact O-ND2 3.33Å; F336-N340 PolarHBondContact O-OD1 3.49Å; T338-N340 PolarHBondContact O-N 3.49Å; N340-R343 PolarHBondContact OD1-NH1 2.94Å; N340-R344 WeakPolarHBondContact O-CB 3.43Å; N340-R344 PolarHBondContact O-N 3.36Å
341	Q	59.6	Low	60	Low	150 Å²	150	109.9 Å²	109.9	70%	0.701	54%	0.542	S	S	*	.	H	α-helix	trans	-70.1	-46.1	172.6	-163.6	175.2	24.6	0	0	111.6	T338 L339 R344 F345	T338-Q341 WeakPolarHBondContact O-CB 3.46Å; T338-Q341 PolarHBondContact O-N 3.36Å; L339-Q341 PolarHBondContact O-N 3.46Å; Q341-R344 PolarHBondContact O-N 3.21Å; Q341-F345 PolarHBondContact O-N 3.26Å
342	I	61.3	Low	61.2	Low	109 Å²	109	103.7 Å²	103.7	56%	0.559	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-37.8	176.9	-62.9	167.4	0	0	0	111.4	T338 L339 R344 F345 S346	T338-I342 PolarHBondContact O-N 3.2Å; L339-I342 HydrophobicContact CD2-CB 4.26Å; L339-I342 HydrophobicContact CD2-CD1 3.99Å; L339-I342 HydrophobicContact CD2-CG2 4.45Å; L339-I342 PolarHBondContact O-N 2.7Å; I342-R344 VanDerWaalsContact C-N 3.35Å; I342-F345 PolarHBondContact O-N 2.92Å; I342-S346 WeakPolarHBondContact O-CB 2.91Å; I342-S346 PolarHBondContact O-N 2.92Å; I342-S346 PolarHBondContact O-OG 3.1Å
343	R	60.2	Low	62.6	Low	101 Å²	101	101.9 Å²	101.9	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-35	175.3	-165.5	-177.4	-73.2	141.8	-9.8	110.6	L339 N340 S346 N347	L339-R343 WeakPolarHBondContact O-CA 3.28Å; L339-R343 WeakPolarHBondContact O-CB 3.39Å; L339-R343 PolarHBondContact O-N 3.08Å; N340-R343 PolarHBondContact OD1-NH1 2.94Å; R343-S346 VanDerWaalsContact CA-OG 3.25Å; R343-S346 WeakPolarHBondContact CA-OG 3.33Å; R343-S346 PolarHBondContact O-OG 2.82Å; R343-S346 VanDerWaalsContact O-OG 3.1Å; R343-N347 WeakPolarHBondContact O-CB 3.28Å; R343-N347 PolarHBondContact O-N 3.48Å; R343-N347 PolarHBondContact O-ND2 3.29Å; R343-N347 PolarHBondContact O-OD1 3.46Å
344	R	61.4	Low	63.6	Low	187 Å²	187	99.2 Å²	99.2	71%	0.706	48%	0.484	S	S	*	.	H	α-helix	trans	-67.1	-48.1	172.4	-168.7	176	-175.3	173.8	1.2	111.4	N340 Q341 I342 S346 N347 E348	N340-R344 WeakPolarHBondContact O-CB 3.43Å; N340-R344 PolarHBondContact O-N 3.36Å; Q341-R344 PolarHBondContact O-N 3.21Å; I342-R344 VanDerWaalsContact C-N 3.35Å; R344-S346 PolarHBondContact O-N 3.36Å; R344-N347 PolarHBondContact O-N 2.96Å; R344-E348 WeakPolarHBondContact O-CG 3.31Å; R344-E348 PolarHBondContact O-N 3.47Å
345	F	68	Low	65.1	Low	143 Å²	143	96.5 Å²	96.5	63%	0.627	47%	0.465	S	S	*	.	H	α-helix	trans	-63.4	-42.4	176.9	-174.9	-114.1	0	0	0	112.5	Q341 I342 N347 E348 I349	Q341-F345 PolarHBondContact O-N 3.26Å; I342-F345 PolarHBondContact O-N 2.92Å; F345-N347 VanDerWaalsContact C-N 3.35Å; F345-N347 PolarHBondContact O-N 3.48Å; F345-E348 PolarHBondContact O-N 3Å; F345-I349 HydrophobicContact CD1-CD1 3.56Å; F345-I349 HydrophobicContact CD1-CG1 4.45Å; F345-I349 HydrophobicContact CE1-CD1 3.19Å; F345-I349 HydrophobicContact CE1-CG1 4.2Å; F345-I349 HydrophobicContact CE2-CD1 4.28Å; F345-I349 HydrophobicContact CE2-CG1 4.48Å; F345-I349 HydrophobicContact CG-CD1 4.27Å; F345-I349 HydrophobicContact CZ-CD1 3.59Å; F345-I349 HydrophobicContact CZ-CG1 4.2Å; F345-I349 WeakPolarHBondContact O-CG1 3.46Å; F345-I349 PolarHBondContact O-N 3.22Å
346	S	69	Low	66.4	Low	54 Å²	54	91.4 Å²	91.4	38%	0.378	44%	0.443	S	S	.	.	H	α-helix	trans	-68	-32	175.6	56.1	0	0	0	0	113.2	I342 R343 R344 R350	I342-S346 WeakPolarHBondContact O-CB 2.91Å; I342-S346 PolarHBondContact O-N 2.92Å; I342-S346 PolarHBondContact O-OG 3.1Å; R343-S346 VanDerWaalsContact CA-OG 3.25Å; R343-S346 WeakPolarHBondContact CA-OG 3.33Å; R343-S346 PolarHBondContact O-OG 2.82Å; R343-S346 VanDerWaalsContact O-OG 3.1Å; R344-S346 PolarHBondContact O-N 3.36Å; S346-R350 VanDerWaalsContact O-CB 3.29Å; S346-R350 WeakPolarHBondContact O-CB 3.12Å; S346-R350 PolarHBondContact O-N 2.92Å
347	N	67	Low	67.5	Low	93 Å²	93	95.7 Å²	95.7	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-69.5	-38.4	172	-73.5	-13.7	0	0	0	112	R343 R344 F345 R350 S351	R343-N347 WeakPolarHBondContact O-CB 3.28Å; R343-N347 PolarHBondContact O-N 3.48Å; R343-N347 PolarHBondContact O-ND2 3.29Å; R343-N347 PolarHBondContact O-OD1 3.46Å; R344-N347 PolarHBondContact O-N 2.96Å; F345-N347 VanDerWaalsContact C-N 3.35Å; F345-N347 PolarHBondContact O-N 3.48Å; N347-R350 PolarHBondContact O-N 2.63Å; N347-S351 WeakPolarHBondContact O-CB 3.28Å; N347-S351 PolarHBondContact O-N 3.11Å
348	E	70.2	Confident	68.2	Low	85 Å²	85	96.9 Å²	96.9	40%	0.397	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-44.2	172.5	-70.3	-66.5	155.3	0	0	111.2	R344 F345 R350 S351 F352 Y432 Q436	R344-E348 WeakPolarHBondContact O-CG 3.31Å; R344-E348 PolarHBondContact O-N 3.47Å; F345-E348 PolarHBondContact O-N 3Å; E348-R350 VanDerWaalsContact C-N 3.3Å; E348-R350 PolarHBondContact O-N 3.37Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.37Å; E348-F352 WeakPolarHBondContact O-CB 3.42Å; E348-F352 PolarHBondContact O-N 2.95Å; E348-Y432 PolarHBondContact OE2-OH 3.4Å; E348-Q436 PolarHBondContact OE2-NE2 3.1Å
349	I	73.4	Confident	68.7	Low	86 Å²	86	96.3 Å²	96.3	44%	0.441	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-40.2	173.8	-70.5	168	0	0	0	110.8	F345 F352 R353	F345-I349 HydrophobicContact CD1-CD1 3.56Å; F345-I349 HydrophobicContact CD1-CG1 4.45Å; F345-I349 HydrophobicContact CE1-CD1 3.19Å; F345-I349 HydrophobicContact CE1-CG1 4.2Å; F345-I349 HydrophobicContact CE2-CD1 4.28Å; F345-I349 HydrophobicContact CE2-CG1 4.48Å; F345-I349 HydrophobicContact CG-CD1 4.27Å; F345-I349 HydrophobicContact CZ-CD1 3.59Å; F345-I349 HydrophobicContact CZ-CG1 4.2Å; F345-I349 WeakPolarHBondContact O-CG1 3.46Å; F345-I349 PolarHBondContact O-N 3.22Å; I349-F352 PolarHBondContact O-N 3.38Å; I349-R353 VanDerWaalsContact O-CB 3.27Å; I349-R353 WeakPolarHBondContact O-CB 3.27Å; I349-R353 PolarHBondContact O-N 3.12Å
350	R	72.6	Confident	69.2	Low	139 Å²	139	102.9 Å²	102.9	53%	0.525	46%	0.457	S	S	.	.	H	α-helix	trans	-63.4	-47.1	176.2	179	177.8	-78.6	-100.5	6.5	110.6	S346 N347 E348 F352 R353 D354	S346-R350 VanDerWaalsContact O-CB 3.29Å; S346-R350 WeakPolarHBondContact O-CB 3.12Å; S346-R350 PolarHBondContact O-N 2.92Å; N347-R350 PolarHBondContact O-N 2.63Å; E348-R350 VanDerWaalsContact C-N 3.3Å; E348-R350 PolarHBondContact O-N 3.37Å; R350-F352 VanDerWaalsContact C-N 3.33Å; R350-F352 PolarHBondContact O-N 3.3Å; R350-R353 PolarHBondContact O-N 3.14Å; R350-D354 WeakPolarHBondContact CG-OD2 3.42Å; R350-D354 WeakPolarHBondContact O-CB 3.42Å; R350-D354 PolarHBondContact O-N 3.37Å
351	S	73.3	Confident	70	Confident	35 Å²	35	100.1 Å²	100.1	25%	0.245	44%	0.443	C	S	.	.	H	α-helix	trans	-58.7	-43.8	175.7	-173.9	0	0	0	0	112	N347 E348 D354 W355	N347-S351 WeakPolarHBondContact O-CB 3.28Å; N347-S351 PolarHBondContact O-N 3.11Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.37Å; S351-D354 PolarHBondContact O-N 3.24Å; S351-W355 WeakPolarHBondContact O-CB 3.12Å; S351-W355 PolarHBondContact O-N 3.24Å
352	F	75.1	Confident	70.8	Confident	90 Å²	90	97.8 Å²	97.8	40%	0.395	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-41.2	175.4	-177	-100.8	0	0	0	112.3	E348 I349 R350 D354 W355 L356 Y432	E348-F352 WeakPolarHBondContact O-CB 3.42Å; E348-F352 PolarHBondContact O-N 2.95Å; I349-F352 PolarHBondContact O-N 3.38Å; R350-F352 VanDerWaalsContact C-N 3.33Å; R350-F352 PolarHBondContact O-N 3.3Å; F352-D354 VanDerWaalsContact C-N 3.32Å; F352-D354 PolarHBondContact O-N 3.33Å; F352-W355 AromaticContact CD2-CE3 3.85Å; F352-W355 HydrophobicContact CD2-CE3 3.85Å; F352-W355 HydrophobicContact CD2-CZ3 4.18Å; F352-W355 AromaticContact CE2-CE3 3.56Å; F352-W355 HydrophobicContact CE2-CE3 3.56Å; F352-W355 HydrophobicContact CE2-CH2 4.45Å; F352-W355 AromaticContact CE2-CZ3 3.42Å; F352-W355 HydrophobicContact CE2-CZ3 3.42Å; F352-W355 VanDerWaalsContact CE2-CZ3 3.42Å; F352-W355 HydrophobicContact CZ-CE3 4.15Å; F352-W355 AromaticContact CZ-CZ3 3.84Å; F352-W355 HydrophobicContact CZ-CZ3 3.84Å; F352-W355 WeakPolarHBondContact O-CB 3.36Å; F352-W355 PolarHBondContact O-N 2.78Å; F352-L356 VanDerWaalsContact O-CB 3.28Å; F352-L356 WeakPolarHBondContact O-CB 3.43Å; F352-L356 PolarHBondContact O-N 2.94Å; F352-Y432 HydrophobicContact CB-CE2 4.27Å; F352-Y432 HydrophobicContact CD2-CD2 4.03Å; F352-Y432 AromaticContact CD2-CE2 3.9Å; F352-Y432 HydrophobicContact CD2-CE2 3.9Å
353	R	75.6	Confident	71.7	Confident	111 Å²	111	100.5 Å²	100.5	42%	0.419	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-37.7	175.6	-174.1	-174.3	68.9	-176.1	-0.3	111.8	I349 R350 L356 R357	I349-R353 VanDerWaalsContact O-CB 3.27Å; I349-R353 WeakPolarHBondContact O-CB 3.27Å; I349-R353 PolarHBondContact O-N 3.12Å; R350-R353 PolarHBondContact O-N 3.14Å; R353-L356 PolarHBondContact O-N 3.18Å; R353-R357 WeakPolarHBondContact O-CB 3.46Å; R353-R357 PolarHBondContact O-N 2.62Å
354	D	72.8	Confident	72.8	Confident	61 Å²	61	101.3 Å²	101.3	33%	0.326	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-38.2	178.3	-63.3	-18.3	0	0	0	110.1	R350 S351 F352 R357 W358	R350-D354 WeakPolarHBondContact CG-OD2 3.42Å; R350-D354 WeakPolarHBondContact O-CB 3.42Å; R350-D354 PolarHBondContact O-N 3.37Å; S351-D354 PolarHBondContact O-N 3.24Å; F352-D354 VanDerWaalsContact C-N 3.32Å; F352-D354 PolarHBondContact O-N 3.33Å; D354-R357 PolarHBondContact O-N 3.38Å; D354-W358 PolarHBondContact O-N 2.84Å
355	W	76.9	Confident	73.9	Confident	5 Å²	5	93.1 Å²	93.1	2%	0.019	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-43.6	168	174.1	79	0	0	0	112.6	S351 F352 R357 W358 T361 L365 H428 N431 Y432 Y435	S351-W355 WeakPolarHBondContact O-CB 3.12Å; S351-W355 PolarHBondContact O-N 3.24Å; F352-W355 AromaticContact CD2-CE3 3.85Å; F352-W355 HydrophobicContact CD2-CE3 3.85Å; F352-W355 HydrophobicContact CD2-CZ3 4.18Å; F352-W355 AromaticContact CE2-CE3 3.56Å; F352-W355 HydrophobicContact CE2-CE3 3.56Å; F352-W355 HydrophobicContact CE2-CH2 4.45Å; F352-W355 AromaticContact CE2-CZ3 3.42Å; F352-W355 HydrophobicContact CE2-CZ3 3.42Å; F352-W355 VanDerWaalsContact CE2-CZ3 3.42Å; F352-W355 HydrophobicContact CZ-CE3 4.15Å; F352-W355 AromaticContact CZ-CZ3 3.84Å; F352-W355 HydrophobicContact CZ-CZ3 3.84Å; F352-W355 WeakPolarHBondContact O-CB 3.36Å; F352-W355 PolarHBondContact O-N 2.78Å; W355-R357 PolarHBondContact O-N 3.06Å; W355-W358 WeakPolarHBondContact O-CB 3.32Å; W355-W358 PolarHBondContact O-N 3.08Å; W355-T361 HydrophobicContact CD2-CG2 4.43Å; W355-T361 HydrophobicContact CH2-CG2 3.96Å; W355-T361 HydrophobicContact CZ2-CG2 3.39Å; W355-L365 HydrophobicContact CH2-CD1 3.54Å; W355-L365 HydrophobicContact CZ3-CD1 3.44Å; W355-L365 VanDerWaalsContact CZ3-CD1 3.44Å; W355-H428 HydrophobicContact CH2-CB 4.34Å; W355-N431 HydrophobicContact CZ2-CB 4.34Å; W355-Y432 HydrophobicContact CB-CD2 4.38Å; W355-Y432 AromaticContact CD2-CD2 3.99Å; W355-Y432 HydrophobicContact CD2-CD2 3.99Å; W355-Y432 HydrophobicContact CE3-CD2 4.37Å; W355-Y432 HydrophobicContact CG-CD2 4Å; W355-Y435 HydrophobicContact CB-CD1 3.88Å; W355-Y435 HydrophobicContact CB-CE1 3.75Å; W355-Y435 HydrophobicContact CB-CG 4.4Å; W355-Y435 AromaticContact CD1-CD1 3.7Å; W355-Y435 AromaticContact CD1-CD2 3.83Å; W355-Y435 AromaticContact CD1-CG 3.42Å; W355-Y435 VanDerWaalsContact CD1-CG 3.42Å; W355-Y435 HydrophobicContact CG-CD1 4.11Å; W355-Y435 HydrophobicContact CG-CE1 4.44Å; W355-Y435 HydrophobicContact CG-CG 4.25Å
356	L	76.8	Confident	74.7	Confident	61 Å²	61	90 Å²	90	32%	0.319	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-28.5	178.9	-171	66.1	0	0	0	112.2	F352 R353 W358 L365	F352-L356 VanDerWaalsContact O-CB 3.28Å; F352-L356 WeakPolarHBondContact O-CB 3.43Å; F352-L356 PolarHBondContact O-N 2.94Å; R353-L356 PolarHBondContact O-N 3.18Å; L356-W358 PolarHBondContact O-N 3.2Å; L356-L365 HydrophobicContact CD1-CD1 3.56Å; L356-L365 HydrophobicContact CD1-CD2 3.42Å; L356-L365 VanDerWaalsContact CD1-CD2 3.42Å; L356-L365 HydrophobicContact CD1-CG 4.11Å
357	R	72.4	Confident	75.6	Confident	168 Å²	168	89.5 Å²	89.5	63%	0.634	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.7	175.2	-164.5	-179.7	-63.8	-99.5	-3.6	112.5	R353 D354 W355 E359	R353-R357 WeakPolarHBondContact O-CB 3.46Å; R353-R357 PolarHBondContact O-N 2.62Å; D354-R357 PolarHBondContact O-N 3.38Å; W355-R357 PolarHBondContact O-N 3.06Å; R357-E359 PolarHBondContact O-N 3.39Å
358	W	71	Confident	76.6	Confident	132 Å²	132	87 Å²	87	50%	0.5	38%	0.384	S	S	.	.			trans	-67.7	115.1	-179.7	-161.8	-89.8	0	0	0	111.2	D354 W355 L356 R360 T361 R362 Y435	D354-W358 PolarHBondContact O-N 2.84Å; W355-W358 WeakPolarHBondContact O-CB 3.32Å; W355-W358 PolarHBondContact O-N 3.08Å; L356-W358 PolarHBondContact O-N 3.2Å; W358-R360 VanDerWaalsContact C-N 3.27Å; W358-R360 PolarHBondContact O-N 3.47Å; W358-R360 VanDerWaalsContact O-N 3.08Å; W358-T361 PolarHBondContact O-N 3.21Å; W358-T361 VanDerWaalsContact O-N 3.1Å; W358-R362 WeakPolarHBondContact O-CB 3.16Å; W358-R362 PolarHBondContact O-N 2.86Å; W358-Y435 HydrophobicContact CE3-CE2 4.42Å
359	E	69.6	Low	77.4	Confident	83 Å²	83	87 Å²	87	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-52.2	-39.7	-165.5	-178	57.3	-155.3	0	0	114.4	R357 R362 R363	R357-E359 PolarHBondContact O-N 3.39Å; E359-R362 IonicContact OE1-NH2 3.65Å; E359-R362 IonicContact OE2-CZ 3.21Å; E359-R362 IonicContact OE2-NE 3.38Å; E359-R362 PolarHBondContact OE2-NE 2.96Å; E359-R362 IonicContact OE2-NH2 2.62Å; E359-R362 PolarHBondContact OE2-NH2 3.24Å; E359-R363 IonicContact OE1-CZ 3.85Å; E359-R363 VanDerWaalsContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 2.78Å; E359-R363 PolarHBondContact OE1-NE 3.39Å; E359-R363 IonicContact OE1-NH2 3.31Å; E359-R363 PolarHBondContact OE1-NH2 3.03Å
360	R	70.3	Confident	78.2	Confident	182 Å²	182	87.2 Å²	87.2	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-73.6	-41.7	-177.1	-167.7	174.4	-69	103.9	1.8	112.5	W358 H364	W358-R360 VanDerWaalsContact C-N 3.27Å; W358-R360 PolarHBondContact O-N 3.47Å; W358-R360 VanDerWaalsContact O-N 3.08Å; R360-H364 PolarHBondContact O-CD2 2.91Å
361	T	73.6	Confident	79.1	Confident	27 Å²	27	81.4 Å²	81.4	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-73.5	-37	179.2	-47.8	0	0	0	0	111	W355 W358 R363 H364 L365	W355-T361 HydrophobicContact CD2-CG2 4.43Å; W355-T361 HydrophobicContact CH2-CG2 3.96Å; W355-T361 HydrophobicContact CZ2-CG2 3.39Å; W358-T361 PolarHBondContact O-N 3.21Å; W358-T361 VanDerWaalsContact O-N 3.1Å; T361-R363 VanDerWaalsContact C-N 3.33Å; T361-R363 PolarHBondContact O-N 3.47Å; T361-H364 PolarHBondContact O-N 3.35Å; T361-L365 WeakPolarHBondContact O-CB 3.47Å; T361-L365 PolarHBondContact O-N 3.34Å
362	R	76.2	Confident	79.8	Confident	101 Å²	101	81.4 Å²	81.4	38%	0.381	36%	0.364	S	S	.	.	H	α-helix	trans	-55.8	-43.6	-177.9	-174.1	173.8	71.9	159.9	5	112.7	W358 E359 L365 I366	W358-R362 WeakPolarHBondContact O-CB 3.16Å; W358-R362 PolarHBondContact O-N 2.86Å; E359-R362 IonicContact OE1-NH2 3.65Å; E359-R362 IonicContact OE2-CZ 3.21Å; E359-R362 IonicContact OE2-NE 3.38Å; E359-R362 PolarHBondContact OE2-NE 2.96Å; E359-R362 IonicContact OE2-NH2 2.62Å; E359-R362 PolarHBondContact OE2-NH2 3.24Å; R362-L365 PolarHBondContact O-N 3.22Å; R362-I366 HydrophobicContact CG-CD1 3.54Å; R362-I366 HydrophobicContact CG-CG1 4.18Å; R362-I366 VanDerWaalsContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.33Å; R362-I366 PolarHBondContact O-N 3.23Å
363	R	81.4	Confident	80.6	Confident	167 Å²	167	82.5 Å²	82.5	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-45.7	-178.1	-65.2	178.5	-173.4	-159.3	0.7	112.3	E359 T361 A367	E359-R363 IonicContact OE1-CZ 3.85Å; E359-R363 VanDerWaalsContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 2.78Å; E359-R363 PolarHBondContact OE1-NE 3.39Å; E359-R363 IonicContact OE1-NH2 3.31Å; E359-R363 PolarHBondContact OE1-NH2 3.03Å; T361-R363 VanDerWaalsContact C-N 3.33Å; T361-R363 PolarHBondContact O-N 3.47Å; R363-A367 WeakPolarHBondContact O-CB 3.46Å; R363-A367 PolarHBondContact O-N 2.96Å
364	H	82.1	Confident	81.4	Confident	118 Å²	118	82.8 Å²	82.8	55%	0.546	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-43	178.9	-63.1	-62.4	0	0	0	111.7	R360 T361 A367 D368	R360-H364 PolarHBondContact O-CD2 2.91Å; T361-H364 PolarHBondContact O-N 3.35Å; H364-A367 PolarHBondContact O-N 3.35Å; H364-D368 PolarHBondContact O-N 3.27Å
365	L	85.4	Confident	82.3	Confident	15 Å²	15	83.2 Å²	83.2	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-66.9	-41.6	178.5	-178.1	153.7	0	0	0	111.9	W355 L356 T361 R362 A367 D368 I369	W355-L365 HydrophobicContact CH2-CD1 3.54Å; W355-L365 HydrophobicContact CZ3-CD1 3.44Å; W355-L365 VanDerWaalsContact CZ3-CD1 3.44Å; L356-L365 HydrophobicContact CD1-CD1 3.56Å; L356-L365 HydrophobicContact CD1-CD2 3.42Å; L356-L365 VanDerWaalsContact CD1-CD2 3.42Å; L356-L365 HydrophobicContact CD1-CG 4.11Å; T361-L365 WeakPolarHBondContact O-CB 3.47Å; T361-L365 PolarHBondContact O-N 3.34Å; R362-L365 PolarHBondContact O-N 3.22Å; L365-A367 VanDerWaalsContact C-N 3.32Å; L365-A367 PolarHBondContact O-N 2.94Å; L365-D368 PolarHBondContact O-N 3.39Å; L365-I369 HydrophobicContact CD2-CD1 3.34Å; L365-I369 HydrophobicContact CD2-CG1 3.99Å; L365-I369 HydrophobicContact CG-CD1 4.32Å; L365-I369 WeakPolarHBondContact O-CG1 3.46Å; L365-I369 PolarHBondContact O-N 2.95Å
366	I	84.7	Confident	83	Confident	78 Å²	78	85.9 Å²	85.9	40%	0.4	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-43.8	174.6	-73.1	172.1	0	0	0	110.2	R362 D368 I369 I370	R362-I366 HydrophobicContact CG-CD1 3.54Å; R362-I366 HydrophobicContact CG-CG1 4.18Å; R362-I366 VanDerWaalsContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.33Å; R362-I366 PolarHBondContact O-N 3.23Å; I366-D368 VanDerWaalsContact C-N 3.35Å; I366-D368 PolarHBondContact O-N 2.99Å; I366-I369 PolarHBondContact O-N 3.46Å; I366-I370 HydrophobicContact CG2-CD1 3.58Å; I366-I370 HydrophobicContact CG2-CG1 4.23Å; I366-I370 WeakPolarHBondContact O-CB 3.38Å; I366-I370 VanDerWaalsContact O-CG1 3.23Å; I366-I370 WeakPolarHBondContact O-CG1 3.41Å; I366-I370 PolarHBondContact O-N 3.13Å
367	A	87.5	Confident	83.8	Confident	42 Å²	42	85.9 Å²	85.9	35%	0.347	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-44.1	177	0	0	0	0	0	111.9	R363 H364 L365 I370 C371	R363-A367 WeakPolarHBondContact O-CB 3.46Å; R363-A367 PolarHBondContact O-N 2.96Å; H364-A367 PolarHBondContact O-N 3.35Å; L365-A367 VanDerWaalsContact C-N 3.32Å; L365-A367 PolarHBondContact O-N 2.94Å; A367-I370 PolarHBondContact O-N 3.07Å; A367-C371 WeakPolarHBondContact O-CB 3.42Å; A367-C371 PolarHBondContact O-N 2.84Å
368	D	88.4	Confident	84.8	Confident	42 Å²	42	80.5 Å²	80.5	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-65.5	-42.4	176.6	-71.5	-25.7	0	0	0	111.7	H364 L365 I366 C371 M372 H428	H364-D368 PolarHBondContact O-N 3.27Å; L365-D368 PolarHBondContact O-N 3.39Å; I366-D368 VanDerWaalsContact C-N 3.35Å; I366-D368 PolarHBondContact O-N 2.99Å; D368-C371 CarbonylContact O-C 3.6Å; D368-C371 WeakPolarHBondContact O-CA 3.42Å; D368-C371 WeakPolarHBondContact O-CB 3.36Å; D368-C371 PolarHBondContact O-N 3.48Å; D368-M372 VanDerWaalsContact O-CG 3.23Å; D368-M372 WeakPolarHBondContact O-CG 3.29Å; D368-M372 PolarHBondContact O-N 3.02Å; D368-H428 IonicContact OD2-CD2 3.78Å; D368-H428 IonicContact OD2-CE1 3.51Å; D368-H428 IonicContact OD2-NE2 2.71Å; D368-H428 PolarHBondContact OD2-NE2 3.06Å
369	I	87.4	Confident	85.9	Confident	84 Å²	84	75.4 Å²	75.4	43%	0.431	38%	0.38	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176.2	-72	-177.8	0	0	0	111.5	L365 I366 C371 M372 I373	L365-I369 HydrophobicContact CD2-CD1 3.34Å; L365-I369 HydrophobicContact CD2-CG1 3.99Å; L365-I369 HydrophobicContact CG-CD1 4.32Å; L365-I369 WeakPolarHBondContact O-CG1 3.46Å; L365-I369 PolarHBondContact O-N 2.95Å; I366-I369 PolarHBondContact O-N 3.46Å; I369-C371 VanDerWaalsContact C-N 3.25Å; I369-C371 PolarHBondContact O-N 2.93Å; I369-M372 WeakPolarHBondContact O-CB 3.46Å; I369-M372 PolarHBondContact O-N 3.19Å; I369-M372 VanDerWaalsContact O-N 3.14Å; I369-I373 HydrophobicContact CG2-CD1 3.72Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 VanDerWaalsContact O-CG1 3.31Å; I369-I373 WeakPolarHBondContact O-CG1 3.49Å; I369-I373 PolarHBondContact O-N 3.31Å
370	I	89.8	Confident	87	Confident	90 Å²	90	79.7 Å²	79.7	46%	0.462	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-43.9	175.5	-69.5	167.5	0	0	0	109.4	I366 A367 M372 I373 L374	I366-I370 HydrophobicContact CG2-CD1 3.58Å; I366-I370 HydrophobicContact CG2-CG1 4.23Å; I366-I370 WeakPolarHBondContact O-CB 3.38Å; I366-I370 VanDerWaalsContact O-CG1 3.23Å; I366-I370 WeakPolarHBondContact O-CG1 3.41Å; I366-I370 PolarHBondContact O-N 3.13Å; A367-I370 PolarHBondContact O-N 3.07Å; I370-M372 PolarHBondContact O-N 3.32Å; I370-I373 PolarHBondContact O-N 3.48Å; I370-L374 HydrophobicContact CG2-CD1 3.82Å; I370-L374 HydrophobicContact CG2-CG 4.41Å; I370-L374 WeakPolarHBondContact O-CG 3.29Å; I370-L374 PolarHBondContact O-N 3.46Å
371	C	90	Very high	88.3	Confident	18 Å²	18	75.2 Å²	75.2	12%	0.122	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-42.2	174.8	-168	0	0	0	0	111.6	A367 D368 I369 I373 L374 L375 W420	A367-C371 WeakPolarHBondContact O-CB 3.42Å; A367-C371 PolarHBondContact O-N 2.84Å; D368-C371 CarbonylContact O-C 3.6Å; D368-C371 WeakPolarHBondContact O-CA 3.42Å; D368-C371 WeakPolarHBondContact O-CB 3.36Å; D368-C371 PolarHBondContact O-N 3.48Å; I369-C371 VanDerWaalsContact C-N 3.25Å; I369-C371 PolarHBondContact O-N 2.93Å; C371-I373 VanDerWaalsContact C-N 3.34Å; C371-I373 PolarHBondContact O-N 3.01Å; C371-L374 PolarHBondContact O-N 3.31Å; C371-L375 WeakPolarHBondContact O-CA 3.18Å; C371-L375 WeakPolarHBondContact O-CB 2.92Å; C371-L375 PolarHBondContact O-N 3.49Å; C371-W420 HydrophobicContact CB-CH2 3.63Å; C371-W420 HydrophobicContact CB-CZ2 3.94Å; C371-W420 WeakPolarHBondContact SG-CH2 3.45Å; C371-W420 VanDerWaalsContact SG-CZ2 3.56Å
372	M	89.3	Confident	89.3	Confident	34 Å²	34	75 Å²	75	17%	0.167	39%	0.386	C	S	.	.	H	α-helix	trans	-57.3	-47.5	174.2	-62.8	-43	172.4	0	0	111.8	D368 I369 I370 L374 T376 W420 M421 A424	D368-M372 VanDerWaalsContact O-CG 3.23Å; D368-M372 WeakPolarHBondContact O-CG 3.29Å; D368-M372 PolarHBondContact O-N 3.02Å; I369-M372 WeakPolarHBondContact O-CB 3.46Å; I369-M372 PolarHBondContact O-N 3.19Å; I369-M372 VanDerWaalsContact O-N 3.14Å; I370-M372 PolarHBondContact O-N 3.32Å; M372-L374 VanDerWaalsContact C-N 3.33Å; M372-L374 PolarHBondContact O-N 3.33Å; M372-T376 WeakPolarHBondContact O-CB 3.46Å; M372-T376 PolarHBondContact O-N 3.1Å; M372-T376 VanDerWaalsContact O-N 3.13Å; M372-T376 PolarHBondContact O-OG1 2.83Å; M372-W420 HydrophobicContact CE-CD2 4.46Å; M372-W420 HydrophobicContact CE-CE3 3.88Å; M372-W420 HydrophobicContact CE-CH2 3.23Å; M372-W420 HydrophobicContact CE-CZ2 3.87Å; M372-W420 HydrophobicContact CE-CZ3 3.29Å; M372-W420 HydrophobicContact CG-CH2 4.38Å; M372-W420 HydrophobicContact SD-CE3 4.05Å; M372-W420 HydrophobicContact SD-CH2 3.23Å; M372-W420 WeakPolarHBondContact SD-CH2 3.2Å; M372-W420 HydrophobicContact SD-CZ2 4.38Å; M372-W420 HydrophobicContact SD-CZ3 3.05Å; M372-W420 WeakPolarHBondContact SD-CZ3 3.23Å; M372-M421 HydrophobicContact CE-CE 3.43Å; M372-M421 VanDerWaalsContact CE-CE 3.43Å; M372-M421 HydrophobicContact CE-SD 3.37Å; M372-M421 WeakPolarHBondContact CE-SD 3.28Å; M372-M421 HydrophobicContact CG-CE 4.14Å; M372-M421 HydrophobicContact CG-SD 4.43Å; M372-M421 HydrophobicContact SD-CE 3.31Å; M372-M421 WeakPolarHBondContact SD-CE 3.45Å; M372-M421 HydrophobicContact SD-SD 3.01Å; M372-A424 HydrophobicContact CE-CB 3.95Å
373	I	91	Very high	90.2	Very high	113 Å²	113	71.5 Å²	71.5	58%	0.579	38%	0.375	S	S	*	.	H	α-helix	trans	-67.4	-34.5	-176.5	-68.1	168.1	0	0	0	111.3	I369 I370 C371 P377	I369-I373 HydrophobicContact CG2-CD1 3.72Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 VanDerWaalsContact O-CG1 3.31Å; I369-I373 WeakPolarHBondContact O-CG1 3.49Å; I369-I373 PolarHBondContact O-N 3.31Å; I370-I373 PolarHBondContact O-N 3.48Å; C371-I373 VanDerWaalsContact C-N 3.34Å; C371-I373 PolarHBondContact O-N 3.01Å; I373-P377 WeakPolarHBondContact O-CD 3.35Å; I373-P377 WeakPolarHBondContact O-CG 3.27Å
374	L	92.7	Very high	91	Very high	118 Å²	118	69.9 Å²	69.9	62%	0.618	37%	0.37	S	S	*	.	H	α-helix	trans	-87.6	-44.2	-179.1	-64.8	176.9	0	0	0	112.8	I370 C371 M372 P377 A378	I370-L374 HydrophobicContact CG2-CD1 3.82Å; I370-L374 HydrophobicContact CG2-CG 4.41Å; I370-L374 WeakPolarHBondContact O-CG 3.29Å; I370-L374 PolarHBondContact O-N 3.46Å; C371-L374 PolarHBondContact O-N 3.31Å; M372-L374 VanDerWaalsContact C-N 3.33Å; M372-L374 PolarHBondContact O-N 3.33Å; L374-P377 WeakPolarHBondContact O-CD 3.4Å; L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.39Å; L374-A378 PolarHBondContact O-N 3Å
375	L	91.4	Very high	91.6	Very high	70 Å²	70	70.8 Å²	70.8	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-77.5	-34.5	-172.4	-162.4	70.6	0	0	0	112.1	C371 A378 T379 L417 W420	C371-L375 WeakPolarHBondContact O-CA 3.18Å; C371-L375 WeakPolarHBondContact O-CB 2.92Å; C371-L375 PolarHBondContact O-N 3.49Å; L375-A378 PolarHBondContact O-N 3.37Å; L375-T379 HydrophobicContact CG-CG2 4.19Å; L375-T379 WeakPolarHBondContact O-CB 3.38Å; L375-T379 VanDerWaalsContact O-CG2 3.25Å; L375-T379 WeakPolarHBondContact O-CG2 3.16Å; L375-T379 PolarHBondContact O-N 2.86Å; L375-T379 PolarHBondContact O-OG1 3.25Å; L375-L417 HydrophobicContact CD2-CD1 3.72Å; L375-L417 HydrophobicContact CG-CD1 4.01Å; L375-W420 HydrophobicContact CD2-CE3 4.16Å; L375-W420 HydrophobicContact CD2-CZ3 4.01Å
376	T	91.2	Very high	92.1	Very high	60 Å²	60	71 Å²	71	37%	0.368	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-52.5	179.3	-53.2	0	0	0	0	112.8	M372 A378 T379 Y380	M372-T376 WeakPolarHBondContact O-CB 3.46Å; M372-T376 PolarHBondContact O-N 3.1Å; M372-T376 VanDerWaalsContact O-N 3.13Å; M372-T376 PolarHBondContact O-OG1 2.83Å; T376-A378 PolarHBondContact O-N 3.01Å; T376-T379 PolarHBondContact O-OG1 2.86Å; T376-Y380 WeakPolarHBondContact O-CB 3.05Å; T376-Y380 PolarHBondContact O-N 3.33Å
377	P	94.5	Very high	92.7	Very high	61 Å²	61	69.1 Å²	69.1	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-37.2	176	26	-33.5	0	0	0	111.8	I373 L374 T379 Y380 I381	I373-P377 WeakPolarHBondContact O-CD 3.35Å; I373-P377 WeakPolarHBondContact O-CG 3.27Å; L374-P377 WeakPolarHBondContact O-CD 3.4Å; P377-T379 PolarHBondContact O-N 3.36Å; P377-Y380 PolarHBondContact O-N 3.18Å; P377-I381 WeakPolarHBondContact O-CB 3.38Å; P377-I381 WeakPolarHBondContact O-CD1 3.34Å; P377-I381 WeakPolarHBondContact O-CG1 3.37Å; P377-I381 PolarHBondContact O-N 3.05Å
378	A	93.9	Very high	93	Very high	56 Å²	56	71.1 Å²	71.1	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-43	178.4	0	0	0	0	0	112.5	L374 L375 T376 G382	L374-A378 VanDerWaalsContact O-CB 3.28Å; L374-A378 WeakPolarHBondContact O-CB 3.39Å; L374-A378 PolarHBondContact O-N 3Å; L375-A378 PolarHBondContact O-N 3.37Å; T376-A378 PolarHBondContact O-N 3.01Å; A378-G382 PolarHBondContact O-N 2.8Å
379	T	93.9	Very high	93.3	Very high	25 Å²	25	70.3 Å²	70.3	15%	0.153	37%	0.373	C	S	.	.	H	α-helix	trans	-69.7	-39.4	175.2	51.4	0	0	0	0	111.9	L375 T376 P377 I381 G382 V383 L417	L375-T379 HydrophobicContact CG-CG2 4.19Å; L375-T379 WeakPolarHBondContact O-CB 3.38Å; L375-T379 VanDerWaalsContact O-CG2 3.25Å; L375-T379 WeakPolarHBondContact O-CG2 3.16Å; L375-T379 PolarHBondContact O-N 2.86Å; L375-T379 PolarHBondContact O-OG1 3.25Å; T376-T379 PolarHBondContact O-OG1 2.86Å; P377-T379 PolarHBondContact O-N 3.36Å; T379-I381 VanDerWaalsContact C-N 3.34Å; T379-I381 PolarHBondContact O-N 3.2Å; T379-G382 PolarHBondContact O-N 3.4Å; T379-V383 WeakPolarHBondContact O-CB 3.37Å; T379-V383 WeakPolarHBondContact O-CG2 3.49Å; T379-V383 PolarHBondContact O-N 3.48Å; T379-L417 HydrophobicContact CG2-CD1 4.36Å; T379-L417 WeakPolarHBondContact OG1-CD2 3.33Å
380	Y	93.6	Very high	93.7	Very high	173 Å²	173	66.3 Å²	66.3	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-44.5	174.5	-176.9	-102.2	0	0	0	111.8	T376 P377 V383 Y384	T376-Y380 WeakPolarHBondContact O-CB 3.05Å; T376-Y380 PolarHBondContact O-N 3.33Å; P377-Y380 PolarHBondContact O-N 3.18Å; Y380-V383 PolarHBondContact O-N 3.43Å; Y380-Y384 WeakPolarHBondContact O-CB 3.24Å; Y380-Y384 PolarHBondContact O-N 2.99Å
381	I	95.8	Very high	93.9	Very high	88 Å²	88	67.9 Å²	67.9	45%	0.451	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-45.4	174.4	-68.2	164	0	0	0	110.5	P377 T379 V383 Y384 F385	P377-I381 WeakPolarHBondContact O-CB 3.38Å; P377-I381 WeakPolarHBondContact O-CD1 3.34Å; P377-I381 WeakPolarHBondContact O-CG1 3.37Å; P377-I381 PolarHBondContact O-N 3.05Å; T379-I381 VanDerWaalsContact C-N 3.34Å; T379-I381 PolarHBondContact O-N 3.2Å; I381-V383 PolarHBondContact O-N 3.09Å; I381-Y384 WeakPolarHBondContact O-CB 3.31Å; I381-Y384 PolarHBondContact O-N 2.82Å; I381-F385 HydrophobicContact CG2-CD2 3.71Å; I381-F385 HydrophobicContact CG2-CE2 3.45Å; I381-F385 VanDerWaalsContact CG2-CE2 3.45Å; I381-F385 WeakPolarHBondContact O-CD2 3.38Å; I381-F385 PolarHBondContact O-N 3.49Å
382	G	95.3	Very high	94.1	Very high	23 Å²	23	68.7 Å²	68.7	24%	0.237	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-44.7	177.3	0	0	0	0	0	113	A378 T379 F385 C386	A378-G382 PolarHBondContact O-N 2.8Å; T379-G382 PolarHBondContact O-N 3.4Å; G382-F385 PolarHBondContact O-N 3.37Å; G382-C386 PolarHBondContact O-N 3.46Å; G382-C386 PolarHBondContact O-SG 3.26Å
383	V	96.2	Very high	94.3	Very high	27 Å²	27	72.9 Å²	72.9	16%	0.164	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-43.7	175.5	169.7	0	0	0	0	110.7	T379 Y380 I381 F385 C386 V387 A410 L413 V414	T379-V383 WeakPolarHBondContact O-CB 3.37Å; T379-V383 WeakPolarHBondContact O-CG2 3.49Å; T379-V383 PolarHBondContact O-N 3.48Å; Y380-V383 PolarHBondContact O-N 3.43Å; I381-V383 PolarHBondContact O-N 3.09Å; V383-F385 PolarHBondContact O-N 3.06Å; V383-C386 WeakPolarHBondContact O-CB 3.23Å; V383-C386 PolarHBondContact O-N 3.46Å; V383-C386 VanDerWaalsContact O-N 3.15Å; V383-V387 HydrophobicContact CG1-CG2 4.33Å; V383-V387 VanDerWaalsContact O-CG2 3.31Å; V383-V387 WeakPolarHBondContact O-CG2 3.33Å; V383-V387 PolarHBondContact O-N 3.35Å; V383-A410 HydrophobicContact CG1-CB 4.35Å; V383-L413 HydrophobicContact CG2-CB 4.32Å; V383-V414 HydrophobicContact CG1-CG2 4.38Å; V383-V414 HydrophobicContact CG2-CG2 3.66Å
384	Y	96.2	Very high	94.4	Very high	132 Å²	132	69 Å²	69	52%	0.518	37%	0.368	S	S	.	.	H	α-helix	trans	-56.7	-47.2	175.8	174.6	-100.5	0	0	0	112.1	Y380 I381 C386 V387 I388	Y380-Y384 WeakPolarHBondContact O-CB 3.24Å; Y380-Y384 PolarHBondContact O-N 2.99Å; I381-Y384 WeakPolarHBondContact O-CB 3.31Å; I381-Y384 PolarHBondContact O-N 2.82Å; Y384-C386 PolarHBondContact O-N 3.01Å; Y384-V387 PolarHBondContact O-N 2.9Å; Y384-I388 HydrophobicContact CD1-CD1 3.97Å; Y384-I388 HydrophobicContact CD2-CD1 4.25Å; Y384-I388 HydrophobicContact CE1-CD1 3.34Å; Y384-I388 HydrophobicContact CE2-CD1 3.65Å; Y384-I388 HydrophobicContact CE2-CG1 4.39Å; Y384-I388 HydrophobicContact CG-CD1 4.4Å; Y384-I388 PolarHBondContact O-N 2.77Å; Y384-I388 VanDerWaalsContact OH-CD1 3.32Å; Y384-I388 WeakPolarHBondContact OH-CD1 3.37Å
385	F	96.2	Very high	94.4	Very high	138 Å²	138	71.4 Å²	71.4	61%	0.605	38%	0.375	S	S	*	.	H	α-helix	trans	-63.8	-37.9	175.3	-77.9	-64.5	0	0	0	113	I381 G382 V383 G389	I381-F385 HydrophobicContact CG2-CD2 3.71Å; I381-F385 HydrophobicContact CG2-CE2 3.45Å; I381-F385 VanDerWaalsContact CG2-CE2 3.45Å; I381-F385 WeakPolarHBondContact O-CD2 3.38Å; I381-F385 PolarHBondContact O-N 3.49Å; G382-F385 PolarHBondContact O-N 3.37Å; V383-F385 PolarHBondContact O-N 3.06Å; F385-G389 PolarHBondContact O-N 3.09Å
386	C	95.9	Very high	94.4	Very high	18 Å²	18	74.7 Å²	74.7	12%	0.122	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-41.6	176.6	-65.5	0	0	0	0	111.8	G382 V383 Y384 A390 A410	G382-C386 PolarHBondContact O-N 3.46Å; G382-C386 PolarHBondContact O-SG 3.26Å; V383-C386 WeakPolarHBondContact O-CB 3.23Å; V383-C386 PolarHBondContact O-N 3.46Å; V383-C386 VanDerWaalsContact O-N 3.15Å; Y384-C386 PolarHBondContact O-N 3.01Å; C386-A390 WeakPolarHBondContact O-CB 3.23Å; C386-A390 PolarHBondContact O-N 2.96Å; C386-A410 HydrophobicContact CB-CB 3.9Å
387	V	95.7	Very high	94.3	Very high	40 Å²	40	76.8 Å²	76.8	24%	0.242	40%	0.402	C	S	.	.	H	α-helix	trans	-66.5	-47.9	178.5	172.7	0	0	0	0	110.6	V383 Y384 G389 A390 F391	V383-V387 HydrophobicContact CG1-CG2 4.33Å; V383-V387 VanDerWaalsContact O-CG2 3.31Å; V383-V387 WeakPolarHBondContact O-CG2 3.33Å; V383-V387 PolarHBondContact O-N 3.35Å; Y384-V387 PolarHBondContact O-N 2.9Å; V387-G389 PolarHBondContact O-N 3.33Å; V387-A390 WeakPolarHBondContact O-CB 3.38Å; V387-A390 PolarHBondContact O-N 2.87Å; V387-F391 HydrophobicContact CG1-CD2 3.71Å; V387-F391 HydrophobicContact CG1-CE2 3.49Å; V387-F391 VanDerWaalsContact CG1-CE2 3.49Å; V387-F391 WeakPolarHBondContact O-CD2 3.25Å; V387-F391 PolarHBondContact O-N 2.89Å
388	I	95.7	Very high	94.1	Very high	83 Å²	83	77.5 Å²	77.5	43%	0.426	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-44.4	176.3	-72.4	-179.1	0	0	0	111.6	Y384 A390 F391 G392	Y384-I388 HydrophobicContact CD1-CD1 3.97Å; Y384-I388 HydrophobicContact CD2-CD1 4.25Å; Y384-I388 HydrophobicContact CE1-CD1 3.34Å; Y384-I388 HydrophobicContact CE2-CD1 3.65Å; Y384-I388 HydrophobicContact CE2-CG1 4.39Å; Y384-I388 HydrophobicContact CG-CD1 4.4Å; Y384-I388 PolarHBondContact O-N 2.77Å; Y384-I388 VanDerWaalsContact OH-CD1 3.32Å; Y384-I388 WeakPolarHBondContact OH-CD1 3.37Å; I388-A390 VanDerWaalsContact C-N 3.29Å; I388-A390 PolarHBondContact O-N 3.32Å; I388-F391 PolarHBondContact O-N 3.29Å; I388-G392 PolarHBondContact O-N 3.12Å
389	G	94.4	Very high	93.9	Very high	25 Å²	25	84.8 Å²	84.8	26%	0.258	42%	0.423	S	S	.	.	H	α-helix	trans	-58	-43.9	175.3	0	0	0	0	0	111.5	F385 V387 F391 G392 Y393	F385-G389 PolarHBondContact O-N 3.09Å; V387-G389 PolarHBondContact O-N 3.33Å; G389-F391 PolarHBondContact O-N 3.47Å; G389-G392 PolarHBondContact O-N 2.71Å; G389-Y393 WeakPolarHBondContact O-CD2 3.42Å; G389-Y393 PolarHBondContact O-N 2.99Å
390	A	94.9	Very high	93.8	Very high	1 Å²	1	84.5 Å²	84.5	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-41.7	178.3	0	0	0	0	0	112.3	C386 V387 I388 Y393 A394 V403 L406	C386-A390 WeakPolarHBondContact O-CB 3.23Å; C386-A390 PolarHBondContact O-N 2.96Å; V387-A390 WeakPolarHBondContact O-CB 3.38Å; V387-A390 PolarHBondContact O-N 2.87Å; I388-A390 VanDerWaalsContact C-N 3.29Å; I388-A390 PolarHBondContact O-N 3.32Å; A390-Y393 PolarHBondContact O-N 3.29Å; A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.42Å; A390-A394 PolarHBondContact O-N 3.47Å; A390-V403 HydrophobicContact CB-CG1 4.35Å; A390-L406 HydrophobicContact CB-CB 3.95Å; A390-L406 HydrophobicContact CB-CD1 4.33Å
391	F	94.4	Very high	93.8	Very high	123 Å²	123	85.6 Å²	85.6	54%	0.539	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-44.7	174.2	-82.4	-71	0	0	0	112	V387 I388 G389 Y393 A394 E395	V387-F391 HydrophobicContact CG1-CD2 3.71Å; V387-F391 HydrophobicContact CG1-CE2 3.49Å; V387-F391 VanDerWaalsContact CG1-CE2 3.49Å; V387-F391 WeakPolarHBondContact O-CD2 3.25Å; V387-F391 PolarHBondContact O-N 2.89Å; I388-F391 PolarHBondContact O-N 3.29Å; G389-F391 PolarHBondContact O-N 3.47Å; F391-Y393 PolarHBondContact O-N 2.86Å; F391-A394 PolarHBondContact O-N 3.42Å; F391-A394 VanDerWaalsContact O-N 3.14Å; F391-E395 PolarHBondContact O-N 2.82Å; F391-E395 VanDerWaalsContact O-N 3.13Å
392	G	93.8	Very high	93.7	Very high	35 Å²	35	84.4 Å²	84.4	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-39.2	177.8	0	0	0	0	0	113.7	I388 G389 L396	I388-G392 PolarHBondContact O-N 3.12Å; G389-G392 PolarHBondContact O-N 2.71Å; G392-L396 WeakPolarHBondContact O-CD1 3.37Å
393	Y	92.9	Very high	93.6	Very high	121 Å²	121	84 Å²	84	48%	0.475	41%	0.411	S	S	.	.	H	α-helix	trans	-72.7	-31.8	174.2	-74	-67.6	0	0	0	113	G389 A390 F391 E395 L396 N397 Q402 L406	G389-Y393 WeakPolarHBondContact O-CD2 3.42Å; G389-Y393 PolarHBondContact O-N 2.99Å; A390-Y393 PolarHBondContact O-N 3.29Å; F391-Y393 PolarHBondContact O-N 2.86Å; Y393-E395 VanDerWaalsContact C-N 3.33Å; Y393-E395 PolarHBondContact O-N 2.81Å; Y393-L396 PolarHBondContact O-N 3.41Å; Y393-N397 PolarHBondContact O-N 3.34Å; Y393-N397 VanDerWaalsContact O-N 3.17Å; Y393-Q402 HydrophobicContact CD1-CB 4.45Å; Y393-Q402 HydrophobicContact CD2-CB 4.35Å; Y393-Q402 HydrophobicContact CG-CB 4.23Å; Y393-L406 HydrophobicContact CD2-CD1 3.69Å; Y393-L406 HydrophobicContact CE2-CD1 3.96Å
394	A	93.7	Very high	93.5	Very high	33 Å²	33	89.1 Å²	89.1	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-68.4	-30.9	179.3	0	0	0	0	0	112.7	A390 F391 V403	A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.42Å; A390-A394 PolarHBondContact O-N 3.47Å; F391-A394 PolarHBondContact O-N 3.42Å; F391-A394 VanDerWaalsContact O-N 3.14Å; A394-V403 HydrophobicContact CB-CG1 4.45Å; A394-V403 HydrophobicContact CB-CG2 4.12Å
395	E	92.8	Very high	93.5	Very high	167 Å²	167	84.8 Å²	84.8	78%	0.78	43%	0.427	S	S	*	.	H	α-helix	trans	-64.3	-37.7	176.3	-75	179.2	-170	0	0	112.9	F391 Y393	F391-E395 PolarHBondContact O-N 2.82Å; F391-E395 VanDerWaalsContact O-N 3.13Å; Y393-E395 VanDerWaalsContact C-N 3.33Å; Y393-E395 PolarHBondContact O-N 2.81Å
396	L	91.1	Very high	93.4	Very high	139 Å²	139	80.2 Å²	80.2	73%	0.728	41%	0.409	S	S	*	.	H	α-helix	trans	-79.5	-44.4	178.2	-78.7	83	0	0	0	111.9	G392 Y393	G392-L396 WeakPolarHBondContact O-CD1 3.37Å; Y393-L396 PolarHBondContact O-N 3.41Å
397	N	89.9	Confident	93.4	Very high	104 Å²	104	85.3 Å²	85.3	56%	0.556	43%	0.425	S	S	*	.			trans	-154.6	106.3	-177.9	-83.1	-51	0	0	0	109.5	Y393 Y399 S400	Y393-N397 PolarHBondContact O-N 3.34Å; Y393-N397 VanDerWaalsContact O-N 3.17Å; N397-Y399 PolarHBondContact O-N 2.87Å; N397-S400 WeakPolarHBondContact CB-OG 3.33Å; N397-S400 WeakPolarHBondContact O-CB 3.42Å; N397-S400 PolarHBondContact O-N 2.87Å; N397-S400 VanDerWaalsContact O-N 3.11Å; N397-S400 PolarHBondContact O-OG 3.39Å
398	P	89.3	Confident	93.3	Very high	76 Å²	76	85.4 Å²	85.4	49%	0.494	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.6	-174.2	23.8	-33.6	0	0	0	113.6
399	Y	89.9	Confident	93.3	Very high	209 Å²	209	85.3 Å²	85.3	82%	0.82	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	12.3	-179.8	-55.7	-70.8	0	0	0	113.8	N397 W401	N397-Y399 PolarHBondContact O-N 2.87Å; Y399-W401 PolarHBondContact O-N 3.48Å
400	S	91.6	Very high	93.4	Very high	20 Å²	20	84.3 Å²	84.3	14%	0.14	42%	0.424	C	S	.	.			trans	-58.8	122.7	171.9	-67.8	0	0	0	0	109.8	N397 Q402 V403	N397-S400 WeakPolarHBondContact CB-OG 3.33Å; N397-S400 WeakPolarHBondContact O-CB 3.42Å; N397-S400 PolarHBondContact O-N 2.87Å; N397-S400 VanDerWaalsContact O-N 3.11Å; N397-S400 PolarHBondContact O-OG 3.39Å; S400-Q402 PolarHBondContact O-N 2.9Å; S400-V403 WeakPolarHBondContact O-CB 3.17Å; S400-V403 PolarHBondContact O-N 2.95Å
401	W	93.5	Very high	93.5	Very high	195 Å²	195	87.9 Å²	87.9	74%	0.739	45%	0.445	S	S	*	.	H	α-helix	trans	-55.7	-25.2	176.5	67.4	-90.6	0	0	0	112.1	Y399 V403 F404 G405	Y399-W401 PolarHBondContact O-N 3.48Å; W401-V403 VanDerWaalsContact C-N 3.28Å; W401-V403 PolarHBondContact O-N 3.04Å; W401-F404 PolarHBondContact O-N 3.26Å; W401-G405 PolarHBondContact O-N 3.27Å
402	Q	93.9	Very high	93.5	Very high	64 Å²	64	86.6 Å²	86.6	30%	0.299	44%	0.444	S	S	.	.	H	α-helix	trans	-56.3	-38	173	-62.3	92.4	-29.2	0	0	112.7	Y393 S400 G405 L406	Y393-Q402 HydrophobicContact CD1-CB 4.45Å; Y393-Q402 HydrophobicContact CD2-CB 4.35Å; Y393-Q402 HydrophobicContact CG-CB 4.23Å; S400-Q402 PolarHBondContact O-N 2.9Å; Q402-G405 PolarHBondContact O-N 3.21Å; Q402-L406 WeakPolarHBondContact O-CG 3.3Å; Q402-L406 PolarHBondContact O-N 3.1Å
403	V	93.6	Very high	93.5	Very high	13 Å²	13	87.9 Å²	87.9	8%	0.079	44%	0.442	C	S	.	.	H	α-helix	trans	-66.7	-49	-179.3	178.4	0	0	0	0	110.2	A390 A394 S400 W401 G405 L406 W407	A390-V403 HydrophobicContact CB-CG1 4.35Å; A394-V403 HydrophobicContact CB-CG1 4.45Å; A394-V403 HydrophobicContact CB-CG2 4.12Å; S400-V403 WeakPolarHBondContact O-CB 3.17Å; S400-V403 PolarHBondContact O-N 2.95Å; W401-V403 VanDerWaalsContact C-N 3.28Å; W401-V403 PolarHBondContact O-N 3.04Å; V403-G405 VanDerWaalsContact C-N 3.31Å; V403-G405 PolarHBondContact O-N 3Å; V403-L406 PolarHBondContact O-N 3.47Å; V403-W407 PolarHBondContact O-N 3.01Å
404	F	94.8	Very high	93.6	Very high	135 Å²	135	85.3 Å²	85.3	59%	0.592	44%	0.438	S	S	*	.	H	α-helix	trans	-62.8	-38.9	177	-62.7	-72.9	0	0	0	111.8	W401 G408	W401-F404 PolarHBondContact O-N 3.26Å; F404-G408 PolarHBondContact O-N 3.28Å
405	G	95	Very high	93.7	Very high	42 Å²	42	88 Å²	88	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-46.4	174.9	0	0	0	0	0	112.7	W401 Q402 V403 G408 L409	W401-G405 PolarHBondContact O-N 3.27Å; Q402-G405 PolarHBondContact O-N 3.21Å; V403-G405 VanDerWaalsContact C-N 3.31Å; V403-G405 PolarHBondContact O-N 3Å; G405-G408 PolarHBondContact O-N 3.33Å; G405-L409 WeakPolarHBondContact O-CB 3.38Å; G405-L409 PolarHBondContact O-N 3.36Å
406	L	95.3	Very high	93.7	Very high	42 Å²	42	84.9 Å²	84.9	22%	0.22	44%	0.436	C	S	.	.	H	α-helix	trans	-68.2	-41.7	179.5	-74.4	170.2	0	0	0	112.7	A390 Y393 Q402 V403 L409 A410	A390-L406 HydrophobicContact CB-CB 3.95Å; A390-L406 HydrophobicContact CB-CD1 4.33Å; Y393-L406 HydrophobicContact CD2-CD1 3.69Å; Y393-L406 HydrophobicContact CE2-CD1 3.96Å; Q402-L406 WeakPolarHBondContact O-CG 3.3Å; Q402-L406 PolarHBondContact O-N 3.1Å; V403-L406 PolarHBondContact O-N 3.47Å; L406-L409 PolarHBondContact O-N 2.92Å; L406-A410 WeakPolarHBondContact O-CB 3.36Å; L406-A410 PolarHBondContact O-N 3.34Å
407	W	94.4	Very high	93.8	Very high	125 Å²	125	79.6 Å²	79.6	47%	0.473	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-46.1	173.8	-91.9	93.3	0	0	0	112.1	V403 L409 A410 V411	V403-W407 PolarHBondContact O-N 3.01Å; W407-L409 VanDerWaalsContact C-N 3.29Å; W407-L409 PolarHBondContact O-N 3.3Å; W407-A410 PolarHBondContact O-N 3.29Å; W407-V411 WeakPolarHBondContact O-CG2 3.23Å; W407-V411 PolarHBondContact O-N 2.95Å
408	G	95.3	Very high	93.9	Very high	42 Å²	42	77.3 Å²	77.3	43%	0.433	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-41.3	176.5	0	0	0	0	0	112.1	F404 G405 L412	F404-G408 PolarHBondContact O-N 3.28Å; G405-G408 PolarHBondContact O-N 3.33Å; G408-L412 VanDerWaalsContact O-CB 3.26Å; G408-L412 WeakPolarHBondContact O-CB 3.03Å; G408-L412 PolarHBondContact O-N 3.36Å
409	L	95.6	Very high	94.1	Very high	80 Å²	80	78 Å²	78	42%	0.419	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-46.5	175.6	-168.7	159.4	0	0	0	111.6	G405 L406 W407 V411 L412 L413	G405-L409 WeakPolarHBondContact O-CB 3.38Å; G405-L409 PolarHBondContact O-N 3.36Å; L406-L409 PolarHBondContact O-N 2.92Å; W407-L409 VanDerWaalsContact C-N 3.29Å; W407-L409 PolarHBondContact O-N 3.3Å; L409-V411 VanDerWaalsContact C-N 3.34Å; L409-V411 PolarHBondContact O-N 2.87Å; L409-L412 PolarHBondContact O-N 3.42Å; L409-L413 HydrophobicContact CD2-CD1 3.47Å; L409-L413 VanDerWaalsContact CD2-CD1 3.47Å; L409-L413 HydrophobicContact CD2-CG 3.86Å; L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 2.86Å
410	A	95.9	Very high	94.2	Very high	5 Å²	5	70.2 Å²	70.2	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-57.4	-47.1	177.7	0	0	0	0	0	111.7	V383 C386 L406 W407 L413 V414	V383-A410 HydrophobicContact CG1-CB 4.35Å; C386-A410 HydrophobicContact CB-CB 3.9Å; L406-A410 WeakPolarHBondContact O-CB 3.36Å; L406-A410 PolarHBondContact O-N 3.34Å; W407-A410 PolarHBondContact O-N 3.29Å; A410-L413 PolarHBondContact O-N 2.83Å; A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.94Å
411	V	96.3	Very high	94.1	Very high	75 Å²	75	71.6 Å²	71.6	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176.9	173.1	0	0	0	0	111	W407 L409 L413 V414 L415	W407-V411 WeakPolarHBondContact O-CG2 3.23Å; W407-V411 PolarHBondContact O-N 2.95Å; L409-V411 VanDerWaalsContact C-N 3.34Å; L409-V411 PolarHBondContact O-N 2.87Å; V411-L413 VanDerWaalsContact C-N 3.34Å; V411-L413 PolarHBondContact O-N 3.42Å; V411-V414 PolarHBondContact O-N 2.84Å; V411-L415 HydrophobicContact CG1-CD1 3.82Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 WeakPolarHBondContact O-CB 2.97Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.03Å; V411-L415 PolarHBondContact O-N 2.93Å
412	L	95.6	Very high	94.1	Very high	97 Å²	97	66.9 Å²	66.9	51%	0.508	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-43.1	178.7	-178.1	65.9	0	0	0	112	G408 L409 L415 L416	G408-L412 VanDerWaalsContact O-CB 3.26Å; G408-L412 WeakPolarHBondContact O-CB 3.03Å; G408-L412 PolarHBondContact O-N 3.36Å; L409-L412 PolarHBondContact O-N 3.42Å; L412-L415 PolarHBondContact O-N 3.49Å; L412-L416 HydrophobicContact CD1-CD1 4.31Å; L412-L416 HydrophobicContact CD1-CG 4.3Å; L412-L416 HydrophobicContact CG-CD1 4.12Å; L412-L416 HydrophobicContact CG-CG 4.48Å; L412-L416 WeakPolarHBondContact O-CB 3.27Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.19Å
413	L	94.1	Very high	94	Very high	62 Å²	62	68.6 Å²	68.6	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-43.1	178.1	-73	-179.2	0	0	0	112.2	V383 L409 A410 V411 L417	V383-L413 HydrophobicContact CG2-CB 4.32Å; L409-L413 HydrophobicContact CD2-CD1 3.47Å; L409-L413 VanDerWaalsContact CD2-CD1 3.47Å; L409-L413 HydrophobicContact CD2-CG 3.86Å; L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 2.86Å; A410-L413 PolarHBondContact O-N 2.83Å; V411-L413 VanDerWaalsContact C-N 3.34Å; V411-L413 PolarHBondContact O-N 3.42Å; L413-L417 PolarHBondContact O-N 3.46Å
414	V	94.5	Very high	93.8	Very high	66 Å²	66	68.5 Å²	68.5	40%	0.4	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-42.3	176.7	176	0	0	0	0	111	V383 A410 V411 L417 T418	V383-V414 HydrophobicContact CG1-CG2 4.38Å; V383-V414 HydrophobicContact CG2-CG2 3.66Å; A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.94Å; V411-V414 PolarHBondContact O-N 2.84Å; V414-L417 PolarHBondContact O-N 2.91Å; V414-T418 HydrophobicContact CG1-CG2 4.26Å; V414-T418 WeakPolarHBondContact O-CB 3.49Å; V414-T418 VanDerWaalsContact O-CG2 3.25Å; V414-T418 WeakPolarHBondContact O-CG2 3.31Å; V414-T418 PolarHBondContact O-N 2.79Å; V414-T418 PolarHBondContact O-OG1 3.49Å
415	L	95.1	Very high	93.5	Very high	90 Å²	90	66.2 Å²	66.2	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-44.4	177.5	-72.4	176.8	0	0	0	112.1	V411 L412 T418 I419	V411-L415 HydrophobicContact CG1-CD1 3.82Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 WeakPolarHBondContact O-CB 2.97Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.03Å; V411-L415 PolarHBondContact O-N 2.93Å; L412-L415 PolarHBondContact O-N 3.49Å; L415-T418 WeakPolarHBondContact CA-OG1 3.4Å; L415-T418 PolarHBondContact O-N 2.85Å; L415-T418 PolarHBondContact O-OG1 3.3Å; L415-I419 WeakPolarHBondContact O-CB 3.47Å; L415-I419 WeakPolarHBondContact O-CD1 3.11Å; L415-I419 WeakPolarHBondContact O-CG1 3.05Å; L415-I419 PolarHBondContact O-N 3.44Å
416	L	93.7	Very high	93.4	Very high	102 Å²	102	72.6 Å²	72.6	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-42.6	178	-71	175.5	0	0	0	112	L412 W420	L412-L416 HydrophobicContact CD1-CD1 4.31Å; L412-L416 HydrophobicContact CD1-CG 4.3Å; L412-L416 HydrophobicContact CG-CD1 4.12Å; L412-L416 HydrophobicContact CG-CG 4.48Å; L412-L416 WeakPolarHBondContact O-CB 3.27Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 3.19Å; L416-W420 WeakPolarHBondContact O-CB 3.21Å; L416-W420 PolarHBondContact O-N 2.68Å
417	L	91.9	Very high	93.1	Very high	27 Å²	27	75.5 Å²	75.5	14%	0.141	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-51	175.4	-177.3	74.1	0	0	0	110.7	L375 T379 L413 V414 I419 W420 M421	L375-L417 HydrophobicContact CD2-CD1 3.72Å; L375-L417 HydrophobicContact CG-CD1 4.01Å; T379-L417 HydrophobicContact CG2-CD1 4.36Å; T379-L417 WeakPolarHBondContact OG1-CD2 3.33Å; L413-L417 PolarHBondContact O-N 3.46Å; V414-L417 PolarHBondContact O-N 2.91Å; L417-I419 PolarHBondContact O-N 3.14Å; L417-W420 HydrophobicContact CD1-CE3 4.13Å; L417-W420 HydrophobicContact CD1-CZ3 4.35Å; L417-W420 PolarHBondContact O-N 2.77Å; L417-W420 VanDerWaalsContact O-N 3.17Å; L417-M421 HydrophobicContact CG-CG 4.44Å; L417-M421 VanDerWaalsContact O-CG 3.27Å; L417-M421 WeakPolarHBondContact O-CG 3.31Å; L417-M421 PolarHBondContact O-N 3.36Å
418	T	91.8	Very high	92.7	Very high	57 Å²	57	70.7 Å²	70.7	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-40.2	-177.7	53.6	0	0	0	0	112.6	V414 L415 M421 I422	V414-T418 HydrophobicContact CG1-CG2 4.26Å; V414-T418 WeakPolarHBondContact O-CB 3.49Å; V414-T418 VanDerWaalsContact O-CG2 3.25Å; V414-T418 WeakPolarHBondContact O-CG2 3.31Å; V414-T418 PolarHBondContact O-N 2.79Å; V414-T418 PolarHBondContact O-OG1 3.49Å; L415-T418 WeakPolarHBondContact CA-OG1 3.4Å; L415-T418 PolarHBondContact O-N 2.85Å; L415-T418 PolarHBondContact O-OG1 3.3Å; T418-M421 WeakPolarHBondContact O-CB 3.4Å; T418-M421 PolarHBondContact O-N 2.84Å; T418-I422 WeakPolarHBondContact O-CD1 3.42Å; T418-I422 WeakPolarHBondContact O-CG1 3.5Å; T418-I422 PolarHBondContact O-N 3.46Å
419	I	94.1	Very high	92.3	Very high	90 Å²	90	72.9 Å²	72.9	46%	0.462	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-46	173.5	-69.3	165.8	0	0	0	110.3	L415 L417 I422 L423	L415-I419 WeakPolarHBondContact O-CB 3.47Å; L415-I419 WeakPolarHBondContact O-CD1 3.11Å; L415-I419 WeakPolarHBondContact O-CG1 3.05Å; L415-I419 PolarHBondContact O-N 3.44Å; L417-I419 PolarHBondContact O-N 3.14Å; I419-I422 PolarHBondContact O-N 2.89Å; I419-L423 HydrophobicContact CG2-CD1 4.05Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.41Å
420	W	91.9	Very high	91.9	Very high	45 Å²	45	70.8 Å²	70.8	17%	0.17	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-43.7	177.3	174.7	77.2	0	0	0	112.2	C371 M372 L375 L416 L417 I422 L423 A424	C371-W420 HydrophobicContact CB-CH2 3.63Å; C371-W420 HydrophobicContact CB-CZ2 3.94Å; C371-W420 WeakPolarHBondContact SG-CH2 3.45Å; C371-W420 VanDerWaalsContact SG-CZ2 3.56Å; M372-W420 HydrophobicContact CE-CD2 4.46Å; M372-W420 HydrophobicContact CE-CE3 3.88Å; M372-W420 HydrophobicContact CE-CH2 3.23Å; M372-W420 HydrophobicContact CE-CZ2 3.87Å; M372-W420 HydrophobicContact CE-CZ3 3.29Å; M372-W420 HydrophobicContact CG-CH2 4.38Å; M372-W420 HydrophobicContact SD-CE3 4.05Å; M372-W420 HydrophobicContact SD-CH2 3.23Å; M372-W420 WeakPolarHBondContact SD-CH2 3.2Å; M372-W420 HydrophobicContact SD-CZ2 4.38Å; M372-W420 HydrophobicContact SD-CZ3 3.05Å; M372-W420 WeakPolarHBondContact SD-CZ3 3.23Å; L375-W420 HydrophobicContact CD2-CE3 4.16Å; L375-W420 HydrophobicContact CD2-CZ3 4.01Å; L416-W420 WeakPolarHBondContact O-CB 3.21Å; L416-W420 PolarHBondContact O-N 2.68Å; L417-W420 HydrophobicContact CD1-CE3 4.13Å; L417-W420 HydrophobicContact CD1-CZ3 4.35Å; L417-W420 PolarHBondContact O-N 2.77Å; L417-W420 VanDerWaalsContact O-N 3.17Å; W420-I422 VanDerWaalsContact C-N 3.33Å; W420-I422 PolarHBondContact O-N 2.97Å; W420-L423 PolarHBondContact O-N 3.5Å; W420-A424 WeakPolarHBondContact O-CB 3.33Å; W420-A424 PolarHBondContact O-N 3.28Å
421	M	90.5	Very high	91.3	Very high	50 Å²	50	73.7 Å²	73.7	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-53.3	-49.7	172.4	-66	-58.9	-52.7	0	0	111.4	M372 L417 T418 L423 A424 I425	M372-M421 HydrophobicContact CE-CE 3.43Å; M372-M421 VanDerWaalsContact CE-CE 3.43Å; M372-M421 HydrophobicContact CE-SD 3.37Å; M372-M421 WeakPolarHBondContact CE-SD 3.28Å; M372-M421 HydrophobicContact CG-CE 4.14Å; M372-M421 HydrophobicContact CG-SD 4.43Å; M372-M421 HydrophobicContact SD-CE 3.31Å; M372-M421 WeakPolarHBondContact SD-CE 3.45Å; M372-M421 HydrophobicContact SD-SD 3.01Å; L417-M421 HydrophobicContact CG-CG 4.44Å; L417-M421 VanDerWaalsContact O-CG 3.27Å; L417-M421 WeakPolarHBondContact O-CG 3.31Å; L417-M421 PolarHBondContact O-N 3.36Å; T418-M421 WeakPolarHBondContact O-CB 3.4Å; T418-M421 PolarHBondContact O-N 2.84Å; M421-L423 PolarHBondContact O-N 3.41Å; M421-A424 PolarHBondContact O-N 3.04Å; M421-I425 HydrophobicContact CE-CD1 4.49Å; M421-I425 WeakPolarHBondContact O-CB 3.46Å; M421-I425 WeakPolarHBondContact O-CD1 3.26Å; M421-I425 WeakPolarHBondContact O-CG1 3.43Å; M421-I425 PolarHBondContact O-N 3.49Å
422	I	91.9	Very high	90.8	Very high	96 Å²	96	71.6 Å²	71.6	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-44.1	-177.2	-69	162.9	0	0	0	110.4	T418 I419 W420 I425 R426	T418-I422 WeakPolarHBondContact O-CD1 3.42Å; T418-I422 WeakPolarHBondContact O-CG1 3.5Å; T418-I422 PolarHBondContact O-N 3.46Å; I419-I422 PolarHBondContact O-N 2.89Å; W420-I422 VanDerWaalsContact C-N 3.33Å; W420-I422 PolarHBondContact O-N 2.97Å; I422-I425 PolarHBondContact O-N 3.29Å; I422-R426 HydrophobicContact CG2-CG 4.32Å; I422-R426 WeakPolarHBondContact O-CB 3.31Å; I422-R426 VanDerWaalsContact O-CG 3.23Å; I422-R426 WeakPolarHBondContact O-CG 3.28Å; I422-R426 PolarHBondContact O-N 3.39Å
423	L	92.6	Very high	90.3	Very high	100 Å²	100	74.7 Å²	74.7	52%	0.524	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-45.2	178	-69.6	175.1	0	0	0	111.8	I419 W420 M421 R426 H427	I419-L423 HydrophobicContact CG2-CD1 4.05Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.41Å; W420-L423 PolarHBondContact O-N 3.5Å; M421-L423 PolarHBondContact O-N 3.41Å; L423-R426 PolarHBondContact O-N 3.05Å; L423-H427 WeakPolarHBondContact O-CB 3.48Å; L423-H427 PolarHBondContact O-N 3.3Å
424	A	90	Very high	89.9	Confident	11 Å²	11	75.5 Å²	75.5	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-60	-48.7	176.4	0	0	0	0	0	111	M372 W420 M421 R426 H427 H428	M372-A424 HydrophobicContact CE-CB 3.95Å; W420-A424 WeakPolarHBondContact O-CB 3.33Å; W420-A424 PolarHBondContact O-N 3.28Å; M421-A424 PolarHBondContact O-N 3.04Å; A424-R426 PolarHBondContact O-N 3.39Å; A424-H427 PolarHBondContact O-N 2.92Å; A424-H428 PolarHBondContact O-CD2 2.64Å; A424-H428 PolarHBondContact O-N 3.41Å
425	I	88.7	Confident	89.4	Confident	86 Å²	86	74 Å²	74	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-47	177.5	-68.2	164.5	0	0	0	110.7	M421 I422 H427 H428 L429	M421-I425 HydrophobicContact CE-CD1 4.49Å; M421-I425 WeakPolarHBondContact O-CB 3.46Å; M421-I425 WeakPolarHBondContact O-CD1 3.26Å; M421-I425 WeakPolarHBondContact O-CG1 3.43Å; M421-I425 PolarHBondContact O-N 3.49Å; I422-I425 PolarHBondContact O-N 3.29Å; I425-H427 VanDerWaalsContact C-N 3.34Å; I425-H427 PolarHBondContact O-N 2.97Å; I425-H428 PolarHBondContact O-N 3.48Å; I425-L429 HydrophobicContact CG2-CD1 3.7Å; I425-L429 HydrophobicContact CG2-CG 4.09Å; I425-L429 WeakPolarHBondContact O-CB 3.25Å; I425-L429 VanDerWaalsContact O-CG 3.24Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.97Å
426	R	91.7	Very high	88.8	Confident	177 Å²	177	72.2 Å²	72.2	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-42	178.9	-76.9	179.7	67.4	82.7	1.8	112.4	I422 L423 A424 L429 G430	I422-R426 HydrophobicContact CG2-CG 4.32Å; I422-R426 WeakPolarHBondContact O-CB 3.31Å; I422-R426 VanDerWaalsContact O-CG 3.23Å; I422-R426 WeakPolarHBondContact O-CG 3.28Å; I422-R426 PolarHBondContact O-N 3.39Å; L423-R426 PolarHBondContact O-N 3.05Å; A424-R426 PolarHBondContact O-N 3.39Å; R426-L429 PolarHBondContact O-N 3.25Å; R426-G430 PolarHBondContact O-N 3.13Å
427	H	88.9	Confident	88.4	Confident	102 Å²	102	72.9 Å²	72.9	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-47.8	176.1	171.6	-103.7	0	0	0	111.3	L423 A424 I425 G430 N431	L423-H427 WeakPolarHBondContact O-CB 3.48Å; L423-H427 PolarHBondContact O-N 3.3Å; A424-H427 PolarHBondContact O-N 2.92Å; I425-H427 VanDerWaalsContact C-N 3.34Å; I425-H427 PolarHBondContact O-N 2.97Å; H427-G430 PolarHBondContact O-N 2.99Å; H427-N431 PolarHBondContact CE1-ND2 3.33Å; H427-N431 PolarHBondContact NE2-ND2 3.28Å; H427-N431 VanDerWaalsContact NE2-ND2 3.2Å; H427-N431 PolarHBondContact O-N 3.46Å
428	H	86.6	Confident	88.1	Confident	25 Å²	25	76.1 Å²	76.1	12%	0.116	37%	0.374	C	S	.	.	H	α-helix	trans	-66.7	-38.3	178.4	-72.5	-57	0	0	0	113	W355 D368 A424 I425 N431 Y432	W355-H428 HydrophobicContact CH2-CB 4.34Å; D368-H428 IonicContact OD2-CD2 3.78Å; D368-H428 IonicContact OD2-CE1 3.51Å; D368-H428 IonicContact OD2-NE2 2.71Å; D368-H428 PolarHBondContact OD2-NE2 3.06Å; A424-H428 PolarHBondContact O-CD2 2.64Å; A424-H428 PolarHBondContact O-N 3.41Å; I425-H428 PolarHBondContact O-N 3.48Å; H428-N431 PolarHBondContact O-N 2.77Å; H428-Y432 WeakPolarHBondContact O-CB 3.28Å; H428-Y432 PolarHBondContact O-N 3.17Å
429	L	86.2	Confident	87.6	Confident	87 Å²	87	77.1 Å²	77.1	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-39.6	173.2	-71.5	176.2	0	0	0	111.8	I425 R426 Y432 R433	I425-L429 HydrophobicContact CG2-CD1 3.7Å; I425-L429 HydrophobicContact CG2-CG 4.09Å; I425-L429 WeakPolarHBondContact O-CB 3.25Å; I425-L429 VanDerWaalsContact O-CG 3.24Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.97Å; R426-L429 PolarHBondContact O-N 3.25Å; L429-Y432 PolarHBondContact O-N 2.93Å; L429-R433 WeakPolarHBondContact O-CB 3.39Å; L429-R433 VanDerWaalsContact O-CG 3.29Å; L429-R433 WeakPolarHBondContact O-CG 3.25Å; L429-R433 PolarHBondContact O-N 3.43Å
430	G	87.4	Confident	87.2	Confident	37 Å²	37	78.7 Å²	78.7	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-47	173.6	0	0	0	0	0	111.7	R426 H427 Y432 R433 S434	R426-G430 PolarHBondContact O-N 3.13Å; H427-G430 PolarHBondContact O-N 2.99Å; G430-Y432 PolarHBondContact O-N 2.93Å; G430-R433 PolarHBondContact O-N 3.06Å; G430-S434 PolarHBondContact O-N 2.92Å
431	N	84.9	Confident	87.1	Confident	65 Å²	65	82.5 Å²	82.5	35%	0.348	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-38.8	176.9	-69.9	-15.6	0	0	0	112.4	W355 H427 H428 S434 Y435	W355-N431 HydrophobicContact CZ2-CB 4.34Å; H427-N431 PolarHBondContact CE1-ND2 3.33Å; H427-N431 PolarHBondContact NE2-ND2 3.28Å; H427-N431 VanDerWaalsContact NE2-ND2 3.2Å; H427-N431 PolarHBondContact O-N 3.46Å; H428-N431 PolarHBondContact O-N 2.77Å; N431-S434 PolarHBondContact O-N 3.44Å; N431-Y435 WeakPolarHBondContact O-CB 3.15Å; N431-Y435 PolarHBondContact O-N 3.49Å
432	Y	84.1	Confident	86.8	Confident	32 Å²	32	84.7 Å²	84.7	13%	0.125	41%	0.411	C	S	.	.	H	α-helix	trans	-65	-44.2	175.2	179.6	-109.7	0	0	0	111.7	E348 F352 W355 H428 L429 G430 S434 Y435 Q436	E348-Y432 PolarHBondContact OE2-OH 3.4Å; F352-Y432 HydrophobicContact CB-CE2 4.27Å; F352-Y432 HydrophobicContact CD2-CD2 4.03Å; F352-Y432 AromaticContact CD2-CE2 3.9Å; F352-Y432 HydrophobicContact CD2-CE2 3.9Å; W355-Y432 HydrophobicContact CB-CD2 4.38Å; W355-Y432 AromaticContact CD2-CD2 3.99Å; W355-Y432 HydrophobicContact CD2-CD2 3.99Å; W355-Y432 HydrophobicContact CE3-CD2 4.37Å; W355-Y432 HydrophobicContact CG-CD2 4Å; H428-Y432 WeakPolarHBondContact O-CB 3.28Å; H428-Y432 PolarHBondContact O-N 3.17Å; L429-Y432 PolarHBondContact O-N 2.93Å; G430-Y432 PolarHBondContact O-N 2.93Å; Y432-S434 PolarHBondContact O-N 2.95Å; Y432-Y435 WeakPolarHBondContact O-CB 3.18Å; Y432-Y435 PolarHBondContact O-N 3.35Å; Y432-Q436 HydrophobicContact CD1-CG 4.34Å; Y432-Q436 HydrophobicContact CE1-CG 3.93Å; Y432-Q436 HydrophobicContact CE2-CG 4.26Å; Y432-Q436 VanDerWaalsContact CZ-NE2 3.29Å; Y432-Q436 WeakPolarHBondContact O-CG 3.36Å; Y432-Q436 PolarHBondContact O-N 2.87Å; Y432-Q436 PolarHBondContact OH-NE2 2.93Å
433	R	86	Confident	86.6	Confident	161 Å²	161	82.8 Å²	82.8	61%	0.608	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-43	175.3	-73.7	176	-174.7	-173.7	1.3	111.9	L429 G430 Y435 Q436 H437	L429-R433 WeakPolarHBondContact O-CB 3.39Å; L429-R433 VanDerWaalsContact O-CG 3.29Å; L429-R433 WeakPolarHBondContact O-CG 3.25Å; L429-R433 PolarHBondContact O-N 3.43Å; G430-R433 PolarHBondContact O-N 3.06Å; R433-Y435 VanDerWaalsContact C-N 3.32Å; R433-Y435 PolarHBondContact O-N 2.91Å; R433-Q436 PolarHBondContact O-N 3.46Å; R433-H437 PolarHBondContact O-CD2 3.42Å; R433-H437 PolarHBondContact O-N 3.5Å
434	S	85.6	Confident	86.5	Confident	79 Å²	79	83.3 Å²	83.3	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-60.9	-42.6	175.5	-173.9	0	0	0	0	111.6	G430 N431 Y432 H437 H438	G430-S434 PolarHBondContact O-N 2.92Å; N431-S434 PolarHBondContact O-N 3.44Å; Y432-S434 PolarHBondContact O-N 2.95Å; S434-H437 PolarHBondContact O-N 3.45Å; S434-H438 PolarHBondContact O-N 3.41Å
435	Y	83.4	Confident	86.4	Confident	36 Å²	36	84.9 Å²	84.9	14%	0.141	43%	0.425	C	S	.	.	H	α-helix	trans	-61.2	-44.2	173.1	175.3	-97.9	0	0	0	112.4	W355 W358 N431 Y432 R433 H437 H438 Q439	W355-Y435 HydrophobicContact CB-CD1 3.88Å; W355-Y435 HydrophobicContact CB-CE1 3.75Å; W355-Y435 HydrophobicContact CB-CG 4.4Å; W355-Y435 AromaticContact CD1-CD1 3.7Å; W355-Y435 AromaticContact CD1-CD2 3.83Å; W355-Y435 AromaticContact CD1-CG 3.42Å; W355-Y435 VanDerWaalsContact CD1-CG 3.42Å; W355-Y435 HydrophobicContact CG-CD1 4.11Å; W355-Y435 HydrophobicContact CG-CE1 4.44Å; W355-Y435 HydrophobicContact CG-CG 4.25Å; W358-Y435 HydrophobicContact CE3-CE2 4.42Å; N431-Y435 WeakPolarHBondContact O-CB 3.15Å; N431-Y435 PolarHBondContact O-N 3.49Å; Y432-Y435 WeakPolarHBondContact O-CB 3.18Å; Y432-Y435 PolarHBondContact O-N 3.35Å; R433-Y435 VanDerWaalsContact C-N 3.32Å; R433-Y435 PolarHBondContact O-N 2.91Å; Y435-H437 PolarHBondContact O-N 2.93Å; Y435-H438 PolarHBondContact O-N 2.76Å; Y435-Q439 HydrophobicContact CD1-CG 4.12Å; Y435-Q439 HydrophobicContact CD2-CG 4.38Å; Y435-Q439 HydrophobicContact CE1-CG 3.71Å; Y435-Q439 HydrophobicContact CE2-CG 4Å; Y435-Q439 HydrophobicContact CG-CG 4.44Å; Y435-Q439 WeakPolarHBondContact O-CG 3.43Å; Y435-Q439 PolarHBondContact O-N 3.23Å; Y435-Q439 PolarHBondContact OH-NE2 3.42Å
436	Q	82.1	Confident	86.4	Confident	52 Å²	52	86.8 Å²	86.8	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-59.8	-45.1	176.3	-74.9	-170.3	-37.5	0	0	111.9	E348 Y432 R433 H438 Q439 Q440	E348-Q436 PolarHBondContact OE2-NE2 3.1Å; Y432-Q436 HydrophobicContact CD1-CG 4.34Å; Y432-Q436 HydrophobicContact CE1-CG 3.93Å; Y432-Q436 HydrophobicContact CE2-CG 4.26Å; Y432-Q436 VanDerWaalsContact CZ-NE2 3.29Å; Y432-Q436 WeakPolarHBondContact O-CG 3.36Å; Y432-Q436 PolarHBondContact O-N 2.87Å; Y432-Q436 PolarHBondContact OH-NE2 2.93Å; R433-Q436 PolarHBondContact O-N 3.46Å; Q436-H438 VanDerWaalsContact C-N 3.33Å; Q436-H438 PolarHBondContact O-N 2.93Å; Q436-Q439 PolarHBondContact O-N 2.92Å; Q436-Q440 VanDerWaalsContact O-CG 3.32Å; Q436-Q440 WeakPolarHBondContact O-CG 3.39Å; Q436-Q440 PolarHBondContact O-N 3.22Å
437	H	85.5	Confident	86	Confident	116 Å²	116	80.8 Å²	80.8	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.6	-76.3	-61.4	0	0	0	112.2	R433 S434 Y435 Q440 Q441	R433-H437 PolarHBondContact O-CD2 3.42Å; R433-H437 PolarHBondContact O-N 3.5Å; S434-H437 PolarHBondContact O-N 3.45Å; Y435-H437 PolarHBondContact O-N 2.93Å; H437-Q440 PolarHBondContact O-N 3.24Å; H437-Q441 WeakPolarHBondContact O-CG 3.36Å; H437-Q441 PolarHBondContact O-N 2.96Å; H437-Q441 VanDerWaalsContact O-N 3.11Å
438	H	85.9	Confident	85.8	Confident	95 Å²	95	80.3 Å²	80.3	44%	0.44	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.3	-169.5	67.7	0	0	0	112.1	S434 Y435 Q436 Q440 Q441 M442	S434-H438 PolarHBondContact O-N 3.41Å; Y435-H438 PolarHBondContact O-N 2.76Å; Q436-H438 VanDerWaalsContact C-N 3.33Å; Q436-H438 PolarHBondContact O-N 2.93Å; H438-Q440 PolarHBondContact O-N 3.42Å; H438-Q441 PolarHBondContact O-N 3.34Å; H438-M442 VanDerWaalsContact CE1-CE 3.4Å; H438-M442 WeakPolarHBondContact CE1-CE 3.44Å; H438-M442 WeakPolarHBondContact O-CG 3.35Å; H438-M442 PolarHBondContact O-N 3.48Å; H438-M442 VanDerWaalsContact O-N 3.1Å
439	Q	80.7	Confident	85.6	Confident	77 Å²	77	88.5 Å²	88.5	36%	0.36	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-38.8	176.6	-71.5	-64	-26.3	0	0	112.3	Y435 Q436 Q441 M442 A443	Y435-Q439 HydrophobicContact CD1-CG 4.12Å; Y435-Q439 HydrophobicContact CD2-CG 4.38Å; Y435-Q439 HydrophobicContact CE1-CG 3.71Å; Y435-Q439 HydrophobicContact CE2-CG 4Å; Y435-Q439 HydrophobicContact CG-CG 4.44Å; Y435-Q439 WeakPolarHBondContact O-CG 3.43Å; Y435-Q439 PolarHBondContact O-N 3.23Å; Y435-Q439 PolarHBondContact OH-NE2 3.42Å; Q436-Q439 PolarHBondContact O-N 2.92Å; Q439-Q441 VanDerWaalsContact C-N 3.35Å; Q439-Q441 PolarHBondContact O-N 2.92Å; Q439-M442 PolarHBondContact O-N 2.85Å; Q439-A443 WeakPolarHBondContact O-CB 3.49Å; Q439-A443 PolarHBondContact O-N 3.29Å
440	Q	86.9	Confident	85.3	Confident	124 Å²	124	88.7 Å²	88.7	58%	0.579	45%	0.453	S	S	*	.	H	α-helix	trans	-62.1	-41.2	174.8	-74.8	174.2	-7.4	0	0	112.2	Q436 H437 H438 A443 L444	Q436-Q440 VanDerWaalsContact O-CG 3.32Å; Q436-Q440 WeakPolarHBondContact O-CG 3.39Å; Q436-Q440 PolarHBondContact O-N 3.22Å; H437-Q440 PolarHBondContact O-N 3.24Å; H438-Q440 PolarHBondContact O-N 3.42Å; Q440-A443 PolarHBondContact O-N 2.92Å; Q440-L444 WeakPolarHBondContact O-CB 3.2Å; Q440-L444 PolarHBondContact O-N 3.02Å
441	Q	88.5	Confident	84.9	Confident	124 Å²	124	90.2 Å²	90.2	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-64.7	-41.9	177.1	-72.3	177.3	-2	0	0	112	H437 H438 Q439 L444 A445	H437-Q441 WeakPolarHBondContact O-CG 3.36Å; H437-Q441 PolarHBondContact O-N 2.96Å; H437-Q441 VanDerWaalsContact O-N 3.11Å; H438-Q441 PolarHBondContact O-N 3.34Å; Q439-Q441 VanDerWaalsContact C-N 3.35Å; Q439-Q441 PolarHBondContact O-N 2.92Å; Q441-L444 PolarHBondContact O-N 3.28Å; Q441-A445 WeakPolarHBondContact O-CB 3.39Å; Q441-A445 PolarHBondContact O-N 3.45Å
442	M	86	Confident	84.6	Confident	97 Å²	97	91 Å²	91	48%	0.478	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-41.7	177.5	-65.9	-59.2	155	0	0	111.8	H438 Q439 L444 A445 E446	H438-M442 VanDerWaalsContact CE1-CE 3.4Å; H438-M442 WeakPolarHBondContact CE1-CE 3.44Å; H438-M442 WeakPolarHBondContact O-CG 3.35Å; H438-M442 PolarHBondContact O-N 3.48Å; H438-M442 VanDerWaalsContact O-N 3.1Å; Q439-M442 PolarHBondContact O-N 2.85Å; M442-L444 PolarHBondContact O-N 3.47Å; M442-A445 PolarHBondContact O-N 3.3Å; M442-E446 PolarHBondContact O-N 3Å
443	A	86.5	Confident	84.1	Confident	56 Å²	56	94.4 Å²	94.4	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175	0	0	0	0	0	112.4	Q439 Q440 A447	Q439-A443 WeakPolarHBondContact O-CB 3.49Å; Q439-A443 PolarHBondContact O-N 3.29Å; Q440-A443 PolarHBondContact O-N 2.92Å; A443-A447 VanDerWaalsContact O-CB 3.27Å; A443-A447 WeakPolarHBondContact O-CB 3.43Å; A443-A447 PolarHBondContact O-N 3.41Å
444	L	90.1	Very high	82.9	Confident	110 Å²	110	91.1 Å²	91.1	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-64.8	-44	174	-175.1	77.3	0	0	0	111.2	Q440 Q441 M442 A447 N448	Q440-L444 WeakPolarHBondContact O-CB 3.2Å; Q440-L444 PolarHBondContact O-N 3.02Å; Q441-L444 PolarHBondContact O-N 3.28Å; M442-L444 PolarHBondContact O-N 3.47Å; L444-A447 PolarHBondContact O-N 2.96Å; L444-N448 WeakPolarHBondContact O-CB 3.31Å; L444-N448 VanDerWaalsContact O-CG 3.24Å; L444-N448 PolarHBondContact O-N 2.93Å; L444-N448 PolarHBondContact O-ND2 3.36Å
445	A	89.7	Confident	81.5	Confident	45 Å²	45	96.7 Å²	96.7	37%	0.372	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-44.1	177.6	0	0	0	0	0	111.5	Q441 M442 N448 R449	Q441-A445 WeakPolarHBondContact O-CB 3.39Å; Q441-A445 PolarHBondContact O-N 3.45Å; M442-A445 PolarHBondContact O-N 3.3Å; A445-N448 PolarHBondContact O-N 3.11Å; A445-R449 VanDerWaalsContact O-CG 3.3Å; A445-R449 WeakPolarHBondContact O-CG 3.37Å; A445-R449 PolarHBondContact O-N 2.82Å
446	E	87.3	Confident	79.8	Confident	126 Å²	126	98.3 Å²	98.3	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-43.7	174.9	-170.9	178.4	-178.7	0	0	111.8	M442 N448 R449 L450	M442-E446 PolarHBondContact O-N 3Å; E446-N448 VanDerWaalsContact C-N 3.3Å; E446-N448 PolarHBondContact O-N 3.49Å; E446-R449 PolarHBondContact O-N 2.93Å; E446-R449 VanDerWaalsContact O-N 3.16Å; E446-L450 HydrophobicContact CG-CD1 4.13Å; E446-L450 HydrophobicContact CG-CG 4.38Å; E446-L450 WeakPolarHBondContact O-CB 3.32Å; E446-L450 WeakPolarHBondContact O-CG 3.1Å; E446-L450 PolarHBondContact O-N 3.47Å
447	A	84	Confident	78.1	Confident	51 Å²	51	103.5 Å²	103.5	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-59.7	-41.1	175.3	0	0	0	0	0	112	A443 L444 L450 S451	A443-A447 VanDerWaalsContact O-CB 3.27Å; A443-A447 WeakPolarHBondContact O-CB 3.43Å; A443-A447 PolarHBondContact O-N 3.41Å; L444-A447 PolarHBondContact O-N 2.96Å; A447-L450 PolarHBondContact O-N 3.15Å; A447-S451 VanDerWaalsContact O-CB 3.28Å; A447-S451 WeakPolarHBondContact O-CB 3.35Å; A447-S451 PolarHBondContact O-N 2.98Å; A447-S451 PolarHBondContact O-OG 3.4Å
448	N	85.5	Confident	76.1	Confident	91 Å²	91	98.9 Å²	98.9	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-45.7	174.1	-73.8	-23.6	0	0	0	111.1	L444 A445 E446 L450 S451 A452	L444-N448 WeakPolarHBondContact O-CB 3.31Å; L444-N448 VanDerWaalsContact O-CG 3.24Å; L444-N448 PolarHBondContact O-N 2.93Å; L444-N448 PolarHBondContact O-ND2 3.36Å; A445-N448 PolarHBondContact O-N 3.11Å; E446-N448 VanDerWaalsContact C-N 3.3Å; E446-N448 PolarHBondContact O-N 3.49Å; N448-L450 PolarHBondContact O-N 2.97Å; N448-S451 WeakPolarHBondContact CA-OG 3.18Å; N448-S451 PolarHBondContact O-N 3.25Å; N448-S451 PolarHBondContact O-OG 2.88Å; N448-A452 PolarHBondContact O-N 3.44Å
449	R	82.1	Confident	74.3	Confident	198 Å²	198	96.2 Å²	96.2	75%	0.747	50%	0.495	S	S	*	.	H	α-helix	trans	-59.9	-44.7	175.5	-70.3	-179	94.6	158.7	7.7	112.1	A445 E446 S451 A452 L453	A445-R449 VanDerWaalsContact O-CG 3.3Å; A445-R449 WeakPolarHBondContact O-CG 3.37Å; A445-R449 PolarHBondContact O-N 2.82Å; E446-R449 PolarHBondContact O-N 2.93Å; E446-R449 VanDerWaalsContact O-N 3.16Å; R449-S451 VanDerWaalsContact C-N 3.32Å; R449-S451 PolarHBondContact O-N 2.9Å; R449-A452 WeakPolarHBondContact O-CB 3.46Å; R449-A452 PolarHBondContact O-N 3.33Å; R449-L453 PolarHBondContact O-N 2.91Å
450	L	79.4	Confident	73	Confident	91 Å²	91	92.8 Å²	92.8	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-70	-27.6	176.9	-67.4	175.8	0	0	0	112.9	E446 A447 N448 A452 L453	E446-L450 HydrophobicContact CG-CD1 4.13Å; E446-L450 HydrophobicContact CG-CG 4.38Å; E446-L450 WeakPolarHBondContact O-CB 3.32Å; E446-L450 WeakPolarHBondContact O-CG 3.1Å; E446-L450 PolarHBondContact O-N 3.47Å; A447-L450 PolarHBondContact O-N 3.15Å; N448-L450 PolarHBondContact O-N 2.97Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-L453 HydrophobicContact CD2-CD1 3.99Å
451	S	79	Confident	71.4	Confident	69 Å²	69	92.2 Å²	92.2	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-73.3	-25.9	173.4	77.1	0	0	0	0	113	A447 N448 R449 L453	A447-S451 VanDerWaalsContact O-CB 3.28Å; A447-S451 WeakPolarHBondContact O-CB 3.35Å; A447-S451 PolarHBondContact O-N 2.98Å; A447-S451 PolarHBondContact O-OG 3.4Å; N448-S451 WeakPolarHBondContact CA-OG 3.18Å; N448-S451 PolarHBondContact O-N 3.25Å; N448-S451 PolarHBondContact O-OG 2.88Å; R449-S451 VanDerWaalsContact C-N 3.32Å; R449-S451 PolarHBondContact O-N 2.9Å; S451-L453 VanDerWaalsContact C-N 3.34Å
452	A	79.3	Confident	69.7	Low	80 Å²	80	89.4 Å²	89.4	66%	0.661	47%	0.469	S	S	*	.	H	α-helix	trans	-77.8	-18.5	175.4	0	0	0	0	0	113	N448 R449 L450	N448-A452 PolarHBondContact O-N 3.44Å; R449-A452 WeakPolarHBondContact O-CB 3.46Å; R449-A452 PolarHBondContact O-N 3.33Å; L450-A452 VanDerWaalsContact C-N 3.32Å
453	L	72.9	Confident	68	Low	105 Å²	105	88.3 Å²	88.3	55%	0.55	46%	0.459	S	S	.	.	S	Bend	trans	-72.9	140.6	173.3	-63.8	176.7	0	0	0	110.4	R449 L450 S451 R455	R449-L453 PolarHBondContact O-N 2.91Å; L450-L453 HydrophobicContact CD2-CD1 3.99Å; S451-L453 VanDerWaalsContact C-N 3.34Å; L453-R455 PolarHBondContact O-N 2.92Å
454	P	60.4	Low	66.2	Low	91 Å²	91	90.7 Å²	90.7	59%	0.591	47%	0.47	S	S	*	.			trans	-61.4	104.2	173.8	25.6	-32.4	0	0	0	108.8	Y456	P454-Y456 VanDerWaalsContact C-N 3.29Å; P454-Y456 HydrophobicContact CB-CD2 4.14Å; P454-Y456 HydrophobicContact CB-CE2 3.8Å; P454-Y456 HydrophobicContact CG-CE2 4.33Å; P454-Y456 PolarHBondContact O-N 3.37Å
455	R	56.9	Low	63.9	Low	196 Å²	196	97.5 Å²	97.5	74%	0.74	49%	0.488	S	S	*	.			trans	-76.7	77.6	-171.1	-167.4	-178.3	-68.9	-170.3	-1.6	110.8	L453 R457	L453-R455 PolarHBondContact O-N 2.92Å; R455-R457 PolarHBondContact O-N 3.43Å
456	Y	46.9	Very low	61.7	Low	71 Å²	71	99.2 Å²	99.2	28%	0.278	51%	0.51	S	S	.	.			trans	-83.1	90.5	171.4	-72.5	-55.3	0	0	0	110.1	P315 M326 P454 F458	P315-Y456 HydrophobicContact CB-CE1 4.36Å; M326-Y456 HydrophobicContact SD-CD1 4.28Å; M326-Y456 HydrophobicContact SD-CE1 4.35Å; P454-Y456 VanDerWaalsContact C-N 3.29Å; P454-Y456 HydrophobicContact CB-CD2 4.14Å; P454-Y456 HydrophobicContact CB-CE2 3.8Å; P454-Y456 HydrophobicContact CG-CE2 4.33Å; P454-Y456 PolarHBondContact O-N 3.37Å; Y456-F458 AromaticContact CD1-CE1 3.45Å; Y456-F458 HydrophobicContact CD1-CE1 3.45Å; Y456-F458 VanDerWaalsContact CD1-CE1 3.45Å; Y456-F458 AromaticContact CD1-CZ 3.48Å; Y456-F458 HydrophobicContact CD1-CZ 3.48Å; Y456-F458 VanDerWaalsContact CD1-CZ 3.48Å; Y456-F458 HydrophobicContact CE1-CE1 4.36Å; Y456-F458 HydrophobicContact CE1-CZ 4.49Å; Y456-F458 HydrophobicContact CG-CE1 4.04Å; Y456-F458 HydrophobicContact CG-CE2 4.47Å; Y456-F458 AromaticContact CG-CZ 3.61Å; Y456-F458 HydrophobicContact CG-CZ 3.61Å
457	R	46.7	Very low	59.7	Low	161 Å²	161	97.8 Å²	97.8	61%	0.608	51%	0.514	S	S	*	.			trans	-126.7	97.3	169.1	-170.4	179.4	170.8	89.9	2.1	108	R455	R455-R457 PolarHBondContact O-N 3.43Å
458	F	43.7	Very low	57.9	Low	19 Å²	19	97.7 Å²	97.7	8%	0.083	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.1	-164.8	-47.8	-77.4	0	0	0	112.4	E306 L309 M326 Y456 I460	E306-F458 HydrophobicContact CB-CD2 4.21Å; E306-F458 HydrophobicContact CG-CD2 3.92Å; E306-F458 HydrophobicContact CG-CE2 4.27Å; L309-F458 HydrophobicContact CB-CE1 4.22Å; L309-F458 HydrophobicContact CB-CE2 3.69Å; L309-F458 HydrophobicContact CB-CZ 3.36Å; L309-F458 HydrophobicContact CD1-CD1 3.93Å; L309-F458 HydrophobicContact CD1-CD2 4.21Å; L309-F458 HydrophobicContact CD1-CE1 3.54Å; L309-F458 HydrophobicContact CD1-CE2 3.85Å; L309-F458 HydrophobicContact CD1-CG 4.24Å; L309-F458 HydrophobicContact CD1-CZ 3.48Å; L309-F458 VanDerWaalsContact CD1-CZ 3.48Å; L309-F458 HydrophobicContact CG-CE1 4.45Å; L309-F458 HydrophobicContact CG-CE2 4.42Å; L309-F458 HydrophobicContact CG-CZ 4.02Å; M326-F458 HydrophobicContact CB-CD1 4.24Å; M326-F458 HydrophobicContact CE-CD1 3.95Å; M326-F458 HydrophobicContact CE-CE1 3.43Å; M326-F458 VanDerWaalsContact CE-CE1 3.43Å; M326-F458 HydrophobicContact CE-CZ 4.43Å; M326-F458 HydrophobicContact CG-CD1 3.68Å; M326-F458 HydrophobicContact CG-CE1 4.06Å; M326-F458 HydrophobicContact SD-CD1 3.6Å; M326-F458 VanDerWaalsContact SD-CD1 3.6Å; M326-F458 HydrophobicContact SD-CE1 3.34Å; M326-F458 WeakPolarHBondContact SD-CE1 3.09Å; Y456-F458 AromaticContact CD1-CE1 3.45Å; Y456-F458 HydrophobicContact CD1-CE1 3.45Å; Y456-F458 VanDerWaalsContact CD1-CE1 3.45Å; Y456-F458 AromaticContact CD1-CZ 3.48Å; Y456-F458 HydrophobicContact CD1-CZ 3.48Å; Y456-F458 VanDerWaalsContact CD1-CZ 3.48Å; Y456-F458 HydrophobicContact CE1-CE1 4.36Å; Y456-F458 HydrophobicContact CE1-CZ 4.49Å; Y456-F458 HydrophobicContact CG-CE1 4.04Å; Y456-F458 HydrophobicContact CG-CE2 4.47Å; Y456-F458 AromaticContact CG-CZ 3.61Å; Y456-F458 HydrophobicContact CG-CZ 3.61Å; F458-I460 HydrophobicContact CB-CD1 3.87Å; F458-I460 HydrophobicContact CB-CG1 4.08Å
459	S	48.8	Very low	55.9	Low	38 Å²	38	98.9 Å²	98.9	27%	0.266	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	97.1	142.4	63.6	0	0	0	0	107.6	T327 Q461	T327-S459 PolarHBondContact O-OG 3.03Å; T327-S459 PolarHBondContact OG1-OG 2.98Å; S459-Q461 PolarHBondContact O-N 2.98Å
460	I	52.6	Low	54.3	Low	6 Å²	6	93.1 Å²	93.1	3%	0.031	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	117.1	172.3	-60.1	119.1	0	0	0	107.6	L288 P290 R302 L305 F458	L288-I460 HydrophobicContact CD1-CG2 3.77Å; L288-I460 HydrophobicContact CD2-CB 4.3Å; L288-I460 HydrophobicContact CD2-CG2 4.03Å; P290-I460 HydrophobicContact CB-CG2 3.95Å; R302-I460 HydrophobicContact CG-CD1 4.05Å; R302-I460 PolarHBondContact NH1-O 3.3Å; R302-I460 PolarHBondContact NH2-O 3.35Å; L305-I460 HydrophobicContact CB-CD1 4.44Å; L305-I460 HydrophobicContact CD2-CB 4.38Å; L305-I460 HydrophobicContact CD2-CD1 3.75Å; L305-I460 HydrophobicContact CD2-CG1 3.68Å; L305-I460 HydrophobicContact CD2-CG2 3.94Å; L305-I460 HydrophobicContact CG-CD1 4.21Å; F458-I460 HydrophobicContact CB-CD1 3.87Å; F458-I460 HydrophobicContact CB-CG1 4.08Å
461	Q	52.3	Low	52.9	Low	112 Å²	112	93.3 Å²	93.3	52%	0.523	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-95.7	136.7	171.6	-67.4	-169.5	-4.9	0	0	109.7	S459	S459-Q461 PolarHBondContact O-N 2.98Å
462	P	53.2	Low	51.1	Low	65 Å²	65	98.2 Å²	98.2	42%	0.422	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-63.5	149.5	164.2	27.9	-31.2	0	0	0	109.7
463	R	51.7	Low	49.3	Very low	74 Å²	74	100.9 Å²	100.9	28%	0.279	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-50	143.7	-173.9	-75.8	-159.3	-152.2	135.9	16.9	113.2	C291 R292 R465 S467	C291-R463 PolarHBondContact O-NH2 2.93Å; R292-R463 VanDerWaalsContact CA-NH2 3.34Å; R463-R465 PolarHBondContact O-N 3.44Å; R463-S467 PolarHBondContact NH1-OG 2.98Å
464	P	47.4	Very low	47.6	Very low	106 Å²	106	102.1 Å²	102.1	69%	0.688	53%	0.531	S	S	*	.	S	Bend	trans	-69.4	121.8	161.2	28.8	-29.4	0	0	0	109.9
465	R	41.5	Very low	46.5	Very low	253 Å²	253	107.2 Å²	107.2	96%	0.955	55%	0.547	S	S	*	.	S	Bend	trans	54	114.3	162.7	-69.7	-175.2	166.2	106.8	-1.5	118.6	R463	R463-R465 PolarHBondContact O-N 3.44Å
466	G	45	Very low	45.3	Very low	80 Å²	80	108.1 Å²	108.1	83%	0.825	55%	0.55	S	S	*	*	S	Bend	trans	135.2	-9.3	148.2	0	0	0	0	0	119.3
467	S	44.3	Very low	44.5	Very low	97 Å²	97	113.3 Å²	113.3	68%	0.678	58%	0.577	S	S	*	*	S	Bend	trans	-164.8	9.6	177.7	48.3	0	0	0	0	117.9	R463	R463-S467 PolarHBondContact NH1-OG 2.98Å
468	S	46.4	Very low	43.9	Very low	49 Å²	49	114.9 Å²	114.9	34%	0.343	59%	0.591	S	S	.	*			trans	-94.9	109.5	176.1	72.6	0	0	0	0	110.8	V470	S468-V470 PolarHBondContact O-N 3.4Å
469	V	43.9	Very low	43.5	Very low	116 Å²	116	123.1 Å²	123.1	70%	0.703	63%	0.63	S	S	*	*			trans	-61.2	101.9	159.3	171.7	0	0	0	0	106.8	L471	V469-L471 VanDerWaalsContact C-N 3.32Å; V469-L471 HydrophobicContact CG1-CB 4.12Å; V469-L471 HydrophobicContact CG1-CD1 3.49Å; V469-L471 VanDerWaalsContact CG1-CD1 3.49Å; V469-L471 HydrophobicContact CG1-CG 3.43Å; V469-L471 VanDerWaalsContact CG1-CG 3.43Å; V469-L471 PolarHBondContact O-N 3.38Å
470	V	48.5	Very low	42.7	Very low	77 Å²	77	126.7 Å²	126.7	47%	0.467	66%	0.655	S	S	.	*			trans	-77.6	94.4	160.1	-179.6	0	0	0	0	104.9	S468 Y472	S468-V470 PolarHBondContact O-N 3.4Å; V470-Y472 HydrophobicContact CB-CE2 4.13Å; V470-Y472 HydrophobicContact CG1-CD2 3.8Å; V470-Y472 HydrophobicContact CG1-CE1 4.32Å; V470-Y472 HydrophobicContact CG1-CE2 3.33Å; V470-Y472 HydrophobicContact CG1-CG 4.46Å; V470-Y472 PolarHBondContact O-N 3.46Å
471	L	48.8	Very low	41.8	Very low	95 Å²	95	131.8 Å²	131.8	50%	0.497	69%	0.691	S	S	.	*			trans	-75.4	93.3	174.3	-101.8	146.7	0	0	0	107.9	F269 V469	F269-L471 HydrophobicContact CD2-CD1 3.66Å; F269-L471 HydrophobicContact CE2-CD1 3.32Å; F269-L471 HydrophobicContact CZ-CD1 4.05Å; V469-L471 VanDerWaalsContact C-N 3.32Å; V469-L471 HydrophobicContact CG1-CB 4.12Å; V469-L471 HydrophobicContact CG1-CD1 3.49Å; V469-L471 VanDerWaalsContact CG1-CD1 3.49Å; V469-L471 HydrophobicContact CG1-CG 3.43Å; V469-L471 VanDerWaalsContact CG1-CG 3.43Å; V469-L471 PolarHBondContact O-N 3.38Å
472	Y	43	Very low	41.1	Very low	171 Å²	171	132.7 Å²	132.7	67%	0.671	71%	0.707	S	S	*	*			trans	-73.1	118.1	155.8	-64.5	-81.1	0	0	0	106.7	V470 I474	V470-Y472 HydrophobicContact CB-CE2 4.13Å; V470-Y472 HydrophobicContact CG1-CD2 3.8Å; V470-Y472 HydrophobicContact CG1-CE1 4.32Å; V470-Y472 HydrophobicContact CG1-CE2 3.33Å; V470-Y472 HydrophobicContact CG1-CG 4.46Å; V470-Y472 PolarHBondContact O-N 3.46Å; Y472-I474 PolarHBondContact O-N 3.28Å
473	T	40.7	Very low	40.1	Very low	136 Å²	136	137.4 Å²	137.4	83%	0.834	73%	0.727	S	S	*	*			trans	-67.6	82.4	165.2	19.7	0	0	0	0	108.4	H475	T473-H475 PolarHBondContact O-N 3.06Å
474	I	38.2	Very low	39.3	Very low	132 Å²	132	138.5 Å²	138.5	68%	0.677	74%	0.744	S	S	*	*			trans	-84.9	87.2	164.6	-58.2	178.4	0	0	0	106.1	Y472 R476	Y472-I474 PolarHBondContact O-N 3.28Å; I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 HydrophobicContact CG2-CB 3.68Å; I474-R476 PolarHBondContact O-N 2.97Å
475	H	35.4	Very low	38.8	Very low	197 Å²	197	142.2 Å²	142.2	91%	0.912	75%	0.75	S	S	*	*			trans	-85.2	80.8	161.5	-130	-81.1	0	0	0	106.6	T473	T473-H475 PolarHBondContact O-N 3.06Å
476	R	33.3	Very low	38.5	Very low	215 Å²	215	137.5 Å²	137.5	81%	0.811	74%	0.738	S	S	*	*			trans	-97.1	124.8	173	-168	175.5	161.3	132.1	0.6	108	I474	I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 HydrophobicContact CG2-CB 3.68Å; I474-R476 PolarHBondContact O-N 2.97Å
477	E	29.8	Very low	38	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	73%	0.73	S	S	*	*			trans	-45.2	129.9	176.1	-66.5	151.8	122.6	0	0	111.8
478	Q	32.9	Very low	37.5	Very low	195 Å²	195	140.5 Å²	140.5	91%	0.911	73%	0.727	S	S	*	*			trans	-149.4	115	152.5	-132.2	170.4	-9	0	0	110.1
479	E	35.6	Very low	36.9	Very low	191 Å²	191	145.7 Å²	145.7	89%	0.893	75%	0.746	S	S	*	*			trans	-48	134.7	177.8	-87.7	160.4	109.1	0	0	113.5
480	S	32.6	Very low	36.3	Very low	114 Å²	114	146.3 Å²	146.3	80%	0.797	75%	0.75	S	S	*	*			trans	-59	131.2	159	51	0	0	0	0	112.3
481	S	33.8	Very low	35.4	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	76%	0.757	S	S	*	*			trans	-161.8	149.1	139.6	35.7	0	0	0	0	111
482	P	37.1	Very low	34.6	Very low	130 Å²	130	149.9 Å²	149.9	84%	0.844	77%	0.77	S	S	*	*			trans	-104.3	154.9	-148.7	14.7	6.2	0	0	0	115.4
483	L	32.7	Very low	34.1	Very low	164 Å²	164	148.3 Å²	148.3	86%	0.859	77%	0.773	S	S	*	*			trans	-48	175.7	162.8	-110.1	100.3	0	0	0	113.6
484	P	35.6	Very low	33.8	Very low	97 Å²	97	147.1 Å²	147.1	63%	0.63	77%	0.771	S	S	*	*			cis	-145.9	-179.9	12.5	27.5	-0.8	0	0	0	116.7
485	K	35	Very low	33.5	Very low	185 Å²	185	145.4 Å²	145.4	80%	0.804	77%	0.77	S	S	*	*				150.8	140.2	122	-80.9	177.1	-175.4	-179.9	0	115.7
486	H	35.5	Very low	33.4	Very low	154 Å²	154	143.5 Å²	143.5	71%	0.713	77%	0.765	S	S	*	*			trans	71.5	141.5	157.8	-98.7	-122.4	0	0	0	117.7
487	E	35.7	Very low	33.6	Very low	140 Å²	140	141.7 Å²	141.7	65%	0.654	77%	0.766	S	S	*	*			cis	-179	153.8	-6.1	-133.7	-172.8	172.2	0	0	106.6
488	T	33.2	Very low	33.8	Very low	100 Å²	100	137.9 Å²	137.9	61%	0.613	76%	0.759	S	S	*	*			trans	69.3	133.1	139.9	-57.5	0	0	0	0	118.2
489	Q	33.2	Very low	34	Very low	157 Å²	157	136.6 Å²	136.6	73%	0.734	76%	0.758	S	S	*	*			cis	180	154.7	1.5	-111	178.9	32.4	0	0	106.8
490	V	31.3	Very low	33.9	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	76%	0.755	S	S	*	*			trans	68.3	142.5	139.8	174.2	0	0	0	0	117
491	S	30.2	Very low	34.2	Very low	88 Å²	88	137.3 Å²	137.3	62%	0.615	76%	0.757	S	S	*	*			cis	-179.4	140.1	-7.7	167.2	0	0	0	0	107.5
492	M	31.4	Very low	34.2	Very low	159 Å²	159	139 Å²	139	78%	0.783	76%	0.757	S	S	*	*			trans	39.3	127.5	141.7	-67.2	-170.7	170	0	0	123.6
493	N	32	Very low	34.2	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	75%	0.751	S	S	*	*				124.6	139.8	121.7	-73.3	-16.4	0	0	0	120.4
494	S	34.7	Very low	34.4	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	75%	0.749	S	S	*	*			trans	66.9	151.5	151.4	67.8	0	0	0	0	119
495	S	33.1	Very low	34.2	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	76%	0.757	S	S	*	*			cis	176.1	142.9	-16.4	-90	0	0	0	0	103.8
496	I	32.2	Very low	34.2	Very low	157 Å²	157	138.8 Å²	138.8	81%	0.805	76%	0.76	S	S	*	*			trans	64.2	124.3	149	-58	162.2	0	0	0	117.2
497	E	38.4	Very low	34	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	77%	0.771	S	S	*	*				-179.6	131.6	110.9	-154.4	154	-159.1	0	0	112
498	S	33.3	Very low	33.8	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	77%	0.773	S	S	*	*			trans	-79.5	157.5	173.9	45.2	0	0	0	0	112.6
499	L	36.8	Very low	33.8	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	79%	0.787	S	S	*	*			trans	-170.3	120.9	146.2	-100.5	150.2	0	0	0	112.3
500	D	32.9	Very low	33.6	Very low	156 Å²	156	143.4 Å²	143.4	83%	0.834	79%	0.793	S	S	*	*			trans	-88.2	151.3	167.9	-77.5	-49.6	0	0	0	111.4
501	I	39.4	Very low	33.7	Very low	164 Å²	164	142.7 Å²	142.7	84%	0.841	79%	0.794	S	S	*	*			trans	-143.3	129.3	151.9	-60	-174.4	0	0	0	112.6
502	N	34.3	Very low	33.6	Very low	149 Å²	149	144 Å²	144	80%	0.797	80%	0.803	S	S	*	*			trans	-47.7	161.5	173.6	-62	-55	0	0	0	118.6
503	S	37.6	Very low	33.4	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	81%	0.808	S	S	*	*				175.6	124.1	101.7	-150.8	0	0	0	0	116.6
504	L	36.7	Very low	33.2	Very low	156 Å²	156	140.5 Å²	140.5	82%	0.817	80%	0.803	S	S	*	*			trans	67.9	104.3	139.6	-97	78.9	0	0	0	124.9
505	N	31.1	Very low	32.9	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	80%	0.803	S	S	*	*				21	127.6	123.3	-80	-15.2	0	0	0	121.1
506	N	34.9	Very low	32.6	Very low	165 Å²	165	146.2 Å²	146.2	88%	0.882	81%	0.809	S	S	*	*				-157.6	142.9	108.7	-117	-17.7	0	0	0	114.5
507	R	31.2	Very low	32.6	Very low	246 Å²	246	150 Å²	150	93%	0.928	82%	0.815	S	S	*	*			trans	-66.3	153.8	-178.7	-78.1	167	157.9	173.8	-7.2	113.5
508	G	31	Very low	32.3	Very low	68 Å²	68	147 Å²	147	70%	0.701	81%	0.811	S	S	*	*			trans	142.1	116.8	132.3	0	0	0	0	0	117
509	V	34.8	Very low	32	Very low	151 Å²	151	150.2 Å²	150.2	92%	0.915	82%	0.82	S	S	*	*			trans	99.7	115.5	149.9	-165.4	0	0	0	0	117.4
510	E	27.7	Very low	31.8	Very low	184 Å²	184	145.5 Å²	145.5	86%	0.86	81%	0.812	S	S	*	*			trans	-70.1	147.3	178.2	-59	159.9	139.7	0	0	112.3
511	S	33.7	Very low	31.7	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	81%	0.814	S	S	*	*			trans	179.9	105.1	131.3	172.4	0	0	0	0	110.6
512	S	27.9	Very low	31.4	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	81%	0.812	S	S	*	*			trans	-25.4	138.5	160.3	-50	0	0	0	0	117.6
513	C	28.4	Very low	31.1	Very low	131 Å²	131	148.3 Å²	148.3	89%	0.885	81%	0.814	S	S	*	*				-160.8	114	107.6	-155	0	0	0	0	111.6
514	S	28.3	Very low	31	Very low	92 Å²	92	150 Å²	150	64%	0.643	81%	0.813	S	S	*	*			trans	-75.2	166.1	165.4	-72	0	0	0	0	111.6
515	N	26.7	Very low	30.8	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	80%	0.804	S	S	*	*			trans	100.8	122.5	151.1	-62.2	-33.3	0	0	0	115.4
516	K	28.1	Very low	31	Very low	182 Å²	182	145.7 Å²	145.7	79%	0.791	80%	0.798	S	S	*	*			cis	120.6	96.5	47.5	-170.1	174.3	-169.3	-178.5	0	104	P518	K516-P518 WeakPolarHBondContact O-CD 3.29Å
517	Y	30.9	Very low	30.9	Very low	238 Å²	238	143.2 Å²	143.2	93%	0.933	79%	0.794	S	S	*	*			trans	-76.9	122.4	172	-84.1	-85.5	0	0	0	109.1
518	P	32.2	Very low	31.4	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	78%	0.779	S	S	*	*			trans	-93.2	149.2	179.1	34.8	-29	0	0	0	112.4	K516	K516-P518 WeakPolarHBondContact O-CD 3.29Å
519	N	27.8	Very low	31.6	Very low	168 Å²	168	137.9 Å²	137.9	90%	0.898	77%	0.768	S	S	*	*			trans	-45.4	137.5	158.7	-115	-16.1	0	0	0	111.8
520	G	32.4	Very low	31.8	Very low	67 Å²	67	138.4 Å²	138.4	69%	0.691	77%	0.765	S	S	*	*			trans	-168.8	95.8	176.7	0	0	0	0	0	112.8	Q522	G520-Q522 PolarHBondContact O-N 3.41Å
521	N	30.2	Very low	32.3	Very low	164 Å²	164	133.3 Å²	133.3	88%	0.877	75%	0.746	S	S	*	*			trans	-56.8	111	-179.7	-67.4	-34.2	0	0	0	112.9
522	Q	33.7	Very low	33	Very low	174 Å²	174	133.9 Å²	133.9	81%	0.813	75%	0.745	S	S	*	*			trans	-102.4	97.6	158	-79.2	-175.1	-1.4	0	0	109.4	G520 I524	G520-Q522 PolarHBondContact O-N 3.41Å; Q522-I524 PolarHBondContact O-N 3.18Å; Q522-I524 VanDerWaalsContact O-N 3.15Å
523	K	28.5	Very low	33.7	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	75%	0.746	S	S	*	*			trans	-78	88.7	171.3	-167.4	-177.1	-177.5	-179.5	0	108.4	V525	K523-V525 HydrophobicContact CD-CG2 4.23Å; K523-V525 HydrophobicContact CG-CG2 3.9Å; K523-V525 PolarHBondContact O-N 3.48Å
524	I	36	Very low	34.5	Very low	137 Å²	137	134 Å²	134	70%	0.703	74%	0.738	S	S	*	*			trans	-80.8	99.4	168.8	-64.3	172.5	0	0	0	107.1	Q522 V526	Q522-I524 PolarHBondContact O-N 3.18Å; Q522-I524 VanDerWaalsContact O-N 3.15Å; I524-V526 HydrophobicContact CG2-CG2 3.82Å; I524-V526 PolarHBondContact O-N 3.46Å
525	V	30.7	Very low	35	Very low	104 Å²	104	138.4 Å²	138.4	63%	0.63	75%	0.749	S	S	*	*			trans	-85.1	105.1	172.2	-177.9	0	0	0	0	107.6	K523	K523-V525 HydrophobicContact CD-CG2 4.23Å; K523-V525 HydrophobicContact CG-CG2 3.9Å; K523-V525 PolarHBondContact O-N 3.48Å
526	V	35.7	Very low	35.8	Very low	110 Å²	110	137.7 Å²	137.7	67%	0.667	75%	0.75	S	S	*	*			trans	-107.1	106.4	166.8	179.2	0	0	0	0	107.3	I524 V528	I524-V526 HydrophobicContact CG2-CG2 3.82Å; I524-V526 PolarHBondContact O-N 3.46Å; V526-V528 HydrophobicContact CG1-CG2 4.11Å; V526-V528 PolarHBondContact O-N 3.26Å
527	S	34.2	Very low	36.5	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	74%	0.743	S	S	*	*			trans	-73.6	104.1	174.5	-42.1	0	0	0	0	108.7
528	V	40.8	Very low	37.2	Very low	103 Å²	103	130 Å²	130	62%	0.624	74%	0.739	S	S	*	*			trans	-101.5	111.6	166.7	-177.8	0	0	0	0	107	V526 L530	V526-V528 HydrophobicContact CG1-CG2 4.11Å; V526-V528 PolarHBondContact O-N 3.26Å; V528-L530 PolarHBondContact O-N 2.97Å
529	E	35.1	Very low	37.5	Very low	100 Å²	100	133.8 Å²	133.8	47%	0.467	75%	0.746	S	S	.	*			trans	-73.3	112.8	174.8	-166.8	-174	168.9	0	0	109.4	L92 T531	L92-E529 HydrophobicContact CD1-CG 4.26Å; L92-E529 WeakPolarHBondContact CD1-OE1 3.45Å; L92-E529 WeakPolarHBondContact CD1-OE2 3.22Å; L92-E529 VanDerWaalsContact CD2-CD 3.47Å; L92-E529 WeakPolarHBondContact CD2-OE1 3.4Å; L92-E529 WeakPolarHBondContact CD2-OE2 3.1Å; E529-T531 HydrophobicContact CG-CG2 4.11Å; E529-T531 PolarHBondContact O-N 2.79Å; E529-T531 WeakPolarHBondContact OE1-CG2 3.39Å
530	L	38	Very low	38	Very low	162 Å²	162	133.9 Å²	133.9	85%	0.848	74%	0.743	S	S	*	*			trans	-82.9	93.3	168.1	-86	80.6	0	0	0	108	V528	V528-L530 PolarHBondContact O-N 2.97Å
531	T	39.6	Very low	38.2	Very low	77 Å²	77	136 Å²	136	47%	0.472	75%	0.748	S	S	.	*			trans	-85.2	113.7	164.5	40.4	0	0	0	0	110.1	F94 E529	F94-T531 HydrophobicContact CZ-CG2 4.16Å; E529-T531 HydrophobicContact CG-CG2 4.11Å; E529-T531 PolarHBondContact O-N 2.79Å; E529-T531 WeakPolarHBondContact OE1-CG2 3.39Å
532	T	49	Very low	38.5	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	74%	0.744	S	S	*	*			trans	65.7	98.5	149.5	65.5	0	0	0	0	118.4
533	V	41.3	Very low	38.6	Very low	136 Å²	136	130.9 Å²	130.9	82%	0.824	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-62	135.1	146.7	178	0	0	0	0	107.9	E535	V533-E535 PolarHBondContact O-N 2.97Å
534	P	45.4	Very low	39.1	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-67.9	129.4	175.9	27.4	-31.5	0	0	0	110.4	V536	P534-V536 PolarHBondContact O-N 3.26Å
535	E	38.7	Very low	39	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.864	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-60.9	122.6	171.9	-174.3	173.6	179.2	0	0	109.9	V533 A537	V533-E535 PolarHBondContact O-N 2.97Å; E535-A537 PolarHBondContact O-N 3.11Å
536	V	44.6	Very low	39.3	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	76%	0.759	S	S	*	*			trans	-81	103.2	165.2	174.8	0	0	0	0	105.9	P534 E538	P534-V536 PolarHBondContact O-N 3.26Å; V536-E538 PolarHBondContact O-N 3.17Å
537	A	41.4	Very low	39.3	Very low	79 Å²	79	135.9 Å²	135.9	65%	0.653	76%	0.763	S	S	*	*			trans	-73.1	111.6	169.3	0	0	0	0	0	108.8	E535 E539	E535-A537 PolarHBondContact O-N 3.11Å; A537-E539 PolarHBondContact O-N 3.45Å
538	E	46.8	Very low	39.4	Very low	180 Å²	180	136 Å²	136	84%	0.841	76%	0.764	S	S	*	*			trans	-76.2	106.5	163.3	-69.3	-177.2	162.2	0	0	108.1	V536 M540	V536-E538 PolarHBondContact O-N 3.17Å; E538-M540 PolarHBondContact O-N 3.5Å; E538-M540 VanDerWaalsContact O-N 3.11Å
539	E	38.5	Very low	39.1	Very low	192 Å²	192	139.9 Å²	139.9	90%	0.897	77%	0.773	S	S	*	*			trans	-74.6	98.5	168.2	-71.2	-168.7	172.2	0	0	109.2	A537 S541	A537-E539 PolarHBondContact O-N 3.45Å; E539-S541 PolarHBondContact O-N 3.13Å
540	M	38.3	Very low	39.5	Very low	170 Å²	170	141.9 Å²	141.9	84%	0.837	79%	0.787	S	S	*	*			trans	-76.5	116.8	169.7	-168.8	155.3	-171.8	0	0	109.8	E538 T542	E538-M540 PolarHBondContact O-N 3.5Å; E538-M540 VanDerWaalsContact O-N 3.11Å; M540-T542 PolarHBondContact O-N 3.14Å
541	S	34.9	Very low	39.7	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	78%	0.784	S	S	*	*			trans	-52.2	117.9	170.6	52	0	0	0	0	111.5	E539	E539-S541 PolarHBondContact O-N 3.13Å
542	T	37.8	Very low	39.7	Very low	130 Å²	130	145.1 Å²	145.1	80%	0.798	80%	0.8	S	S	*	*			trans	-109.3	113	161.3	45.2	0	0	0	0	109	M540	M540-T542 PolarHBondContact O-N 3.14Å
543	S	35.7	Very low	39.7	Very low	101 Å²	101	149.1 Å²	149.1	71%	0.706	82%	0.824	S	S	*	*			trans	-55.5	128.6	169.5	53.4	0	0	0	0	111
544	N	38	Very low	39.6	Very low	165 Å²	165	149.8 Å²	149.8	88%	0.882	82%	0.824	S	S	*	*			trans	-127.1	104.6	153.7	-92.9	-27.5	0	0	0	108.8	K546	N544-K546 PolarHBondContact O-N 3.17Å
545	N	35.2	Very low	39.3	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	83%	0.829	S	S	*	*			trans	-56	126	167.7	-73.8	-38.1	0	0	0	110.1
546	K	36.8	Very low	39.3	Very low	205 Å²	205	149.9 Å²	149.9	89%	0.891	83%	0.827	S	S	*	*			trans	-140.8	107	146.1	-146.3	174.1	-174.7	-174.4	0	109.1	N544	N544-K546 PolarHBondContact O-N 3.17Å
547	V	34.5	Very low	39	Very low	126 Å²	126	151.1 Å²	151.1	76%	0.764	83%	0.83	S	S	*	*			trans	-68.9	131.4	174.8	173.4	0	0	0	0	109.1
548	S	37.7	Very low	38.9	Very low	114 Å²	114	155.6 Å²	155.6	80%	0.797	84%	0.841	S	S	*	*			trans	-155.6	99	150.2	45.1	0	0	0	0	108
549	F	34.6	Very low	38.3	Very low	185 Å²	185	153.9 Å²	153.9	81%	0.811	84%	0.841	S	S	*	*			trans	-61.5	137.6	160.1	-119.3	-105.2	0	0	0	108.3
550	D	41.8	Very low	38.3	Very low	141 Å²	141	151.2 Å²	151.2	75%	0.754	84%	0.837	S	S	*	*			trans	-177.1	140.2	137.1	-88.2	-23.8	0	0	0	111.3
551	N	42.9	Very low	38.3	Very low	149 Å²	149	149.8 Å²	149.8	80%	0.797	84%	0.836	S	S	*	*			trans	81.6	107.8	174.4	-45.3	-36	0	0	0	114.3
552	I	39.3	Very low	38.6	Very low	158 Å²	158	152.9 Å²	152.9	81%	0.81	84%	0.841	S	S	*	*			cis	46.1	78.9	35.4	-48.7	-179.9	0	0	0	112.1
553	V	49.3	Very low	38.7	Very low	210 Å²	210	155 Å²	155	100%	1.273	85%	0.845	S	S	*	*				-164	0	102.9	160.3	0	0	0	0	107.8

Retrieved 553 of 553 residues in 220.7 ms (Link to these results)

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