A0A077Z5R6_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z5R6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 764 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	33.4	Very low	32.8	Very low	236 Å²	236	149.9 Å²	149.9	100%	1.163	84%	0.838	S	S	*	*				0	121.7	0	-85.3	177.6	159.1	0	0	106.9
2	Q	32.2	Very low	32.6	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	84%	0.838	S	S	*	*			trans	56.5	97.7	166.8	-68.7	166.4	-17	0	0	115.6
3	D	32.5	Very low	32.6	Very low	147 Å²	147	151.7 Å²	151.7	79%	0.786	84%	0.842	S	S	*	*				68.7	134.5	71	-55.1	-43.7	0	0	0	110.9
4	S	34.4	Very low	32.2	Very low	121 Å²	121	146 Å²	146	85%	0.846	84%	0.835	S	S	*	*			cis	-151.7	163.2	37.2	-57.6	0	0	0	0	114.2
5	S	33.1	Very low	32.1	Very low	121 Å²	121	147.5 Å²	147.5	85%	0.846	84%	0.839	S	S	*	*			trans	-88.8	165.1	-178.4	50.7	0	0	0	0	115.2
6	G	36.6	Very low	31.8	Very low	75 Å²	75	143.3 Å²	143.3	77%	0.773	83%	0.828	S	S	*	*			trans	-156.2	111.3	170.7	0	0	0	0	0	113.3
7	H	34.8	Very low	31.4	Very low	168 Å²	168	141.8 Å²	141.8	78%	0.778	83%	0.828	S	S	*	*			trans	-39.2	137.5	-179.2	-74.6	-56.3	0	0	0	117.4
8	R	28.8	Very low	31.1	Very low	199 Å²	199	141.7 Å²	141.7	75%	0.751	82%	0.818	S	S	*	*				87.8	118.8	56.9	-171.3	-164.1	-160.5	174.2	9.1	112.9
9	L	33.2	Very low	30.7	Very low	168 Å²	168	141.1 Å²	141.1	88%	0.88	82%	0.821	S	S	*	*			trans	-173.8	138.5	131.3	-99.7	170.6	0	0	0	110.9
10	D	28	Very low	30.4	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	82%	0.817	S	S	*	*			trans	-93.5	148.4	-169.9	-51.4	-82.2	0	0	0	113.4
11	A	34.3	Very low	30.1	Very low	102 Å²	102	142.4 Å²	142.4	84%	0.843	81%	0.813	S	S	*	*			trans	-154	128.3	155.3	0	0	0	0	0	111.2
12	N	30	Very low	29.7	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	80%	0.799	S	S	*	*			trans	-72.2	132.1	-178.5	-76.8	-35.7	0	0	0	113
13	N	32.9	Very low	29.3	Very low	165 Å²	165	138.8 Å²	138.8	88%	0.882	80%	0.799	S	S	*	*			trans	-177.8	125.8	131.4	-86.5	-19	0	0	0	105
14	G	26.8	Very low	29	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	79%	0.794	S	S	*	*			cis	103.6	57.6	32.2	0	0	0	0	0	109
15	D	30.2	Very low	28.7	Very low	168 Å²	168	136 Å²	136	90%	0.898	79%	0.79	S	S	*	*			trans	-153.3	146.2	163.3	-132.1	-25.9	0	0	0	113.1
16	A	27.1	Very low	28.4	Very low	80 Å²	80	133.5 Å²	133.5	66%	0.661	78%	0.783	S	S	*	*			trans	-96.4	113.7	-172	0	0	0	0	0	111.2	Q18	A16-Q18 PolarHBondContact O-N 3.24Å
17	S	26.3	Very low	28	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	77%	0.766	S	S	*	*			trans	-74.3	73.6	174.4	37.4	0	0	0	0	112.2	C19	S17-C19 PolarHBondContact O-N 2.95Å
18	Q	25.3	Very low	27.7	Very low	140 Å²	140	128.3 Å²	128.3	65%	0.654	76%	0.757	S	S	*	*			trans	-65.6	113.8	165.3	-81.5	-176.1	-25.5	0	0	110.2	A16 Y20	A16-Q18 PolarHBondContact O-N 3.24Å; Q18-Y20 HydrophobicContact CB-CD2 4.04Å; Q18-Y20 HydrophobicContact CB-CE2 3.8Å; Q18-Y20 PolarHBondContact O-N 2.82Å; Q18-Y20 VanDerWaalsContact O-N 3.07Å
19	C	23.4	Very low	27.6	Very low	130 Å²	130	123.8 Å²	123.8	88%	0.878	75%	0.747	S	S	*	*			trans	-68.6	101.1	171.8	-56.5	0	0	0	0	110.4	S17	S17-C19 PolarHBondContact O-N 2.95Å
20	Y	24.5	Very low	27.4	Very low	188 Å²	188	121.4 Å²	121.4	74%	0.737	73%	0.729	S	S	*	*			trans	-88.3	138.4	171.4	-87.4	-83.3	0	0	0	112.7	Q18	Q18-Y20 HydrophobicContact CB-CD2 4.04Å; Q18-Y20 HydrophobicContact CB-CE2 3.8Å; Q18-Y20 PolarHBondContact O-N 2.82Å; Q18-Y20 VanDerWaalsContact O-N 3.07Å
21	V	23.5	Very low	27.2	Very low	122 Å²	122	121.6 Å²	121.6	74%	0.739	74%	0.735	S	S	*	*			trans	-84.1	116	-177.5	179.8	0	0	0	0	109.2	E23	V21-E23 HydrophobicContact CG1-CG 4.12Å; V21-E23 PolarHBondContact O-N 2.91Å
22	N	25.3	Very low	26.9	Very low	160 Å²	160	121.2 Å²	121.2	86%	0.856	73%	0.733	S	S	*	*			trans	-84.3	95	168.3	-89.3	-24.1	0	0	0	110.3	A24	N22-A24 VanDerWaalsContact C-N 3.27Å; N22-A24 PolarHBondContact O-N 3.25Å
23	E	23.7	Very low	26.6	Very low	175 Å²	175	122 Å²	122	82%	0.818	73%	0.729	S	S	*	*			trans	-71.7	80.2	165.9	-69.6	-166.4	134.2	0	0	110.8	V21 V25	V21-E23 HydrophobicContact CG1-CG 4.12Å; V21-E23 PolarHBondContact O-N 2.91Å; E23-V25 PolarHBondContact O-N 3.34Å; E23-V25 VanDerWaalsContact O-N 3.16Å
24	A	27	Very low	26.1	Very low	82 Å²	82	120.4 Å²	120.4	68%	0.678	72%	0.72	S	S	*	*			trans	-72.2	105.2	167.8	0	0	0	0	0	109.5	N22 G26	N22-A24 VanDerWaalsContact C-N 3.27Å; N22-A24 PolarHBondContact O-N 3.25Å; A24-G26 PolarHBondContact O-N 3.01Å
25	V	27.1	Very low	26	Very low	128 Å²	128	128.4 Å²	128.4	78%	0.776	73%	0.729	S	S	*	*			trans	-57.9	100.1	-178	179.7	0	0	0	0	111	E23 L27	E23-V25 PolarHBondContact O-N 3.34Å; E23-V25 VanDerWaalsContact O-N 3.16Å; V25-L27 PolarHBondContact O-N 3.36Å; V25-L27 VanDerWaalsContact O-N 3.11Å
26	G	26.9	Very low	25.6	Very low	68 Å²	68	130.4 Å²	130.4	70%	0.701	73%	0.73	S	S	*	*			trans	-73.7	99.2	176.5	0	0	0	0	0	111.2	A24 G28	A24-G26 PolarHBondContact O-N 3.01Å; G26-G28 PolarHBondContact O-N 2.73Å
27	L	27.9	Very low	25.6	Very low	79 Å²	79	131.4 Å²	131.4	41%	0.414	74%	0.738	S	S	.	*			trans	-70.8	65.7	167.5	-75.3	172.4	0	0	0	111.8	V25 M318 L321	V25-L27 PolarHBondContact O-N 3.36Å; V25-L27 VanDerWaalsContact O-N 3.11Å; L27-M318 HydrophobicContact CD1-SD 3.59Å; L27-M318 VanDerWaalsContact CD1-SD 3.59Å; L27-L321 HydrophobicContact CD1-CD2 4.47Å
28	G	28.6	Very low	25.7	Very low	56 Å²	56	133.4 Å²	133.4	58%	0.577	74%	0.74	S	S	*	*			trans	-89	97.7	155.2	0	0	0	0	0	108.3	G26 K30	G26-G28 PolarHBondContact O-N 2.73Å; G28-K30 PolarHBondContact O-N 3.21Å
29	L	27.6	Very low	25.9	Very low	103 Å²	103	136.9 Å²	136.9	54%	0.539	75%	0.753	S	S	.	*			trans	-72.2	60.5	174.5	-85.4	161.7	0	0	0	111.6	Q300 E304	L29-Q300 HydrophobicContact CD1-CG 4.37Å; L29-E304 HydrophobicContact CD1-CG 4.08Å; L29-E304 HydrophobicContact CD2-CG 4.07Å
30	K	28.1	Very low	26.3	Very low	118 Å²	118	135.2 Å²	135.2	51%	0.513	75%	0.748	S	S	.	*	S	Bend	trans	-87.5	97.8	159.2	-74.8	-169.7	175.5	-174.4	0	108	G28 A32 E400	G28-K30 PolarHBondContact O-N 3.21Å; K30-A32 PolarHBondContact O-N 3.49Å; K30-E400 IonicContact NZ-OE1 3.68Å; K30-E400 PolarHBondContact NZ-OE1 3.11Å
31	T	25.5	Very low	26.5	Very low	141 Å²	141	130.2 Å²	130.2	87%	0.865	75%	0.754	S	S	*	*			trans	17.3	71.9	159.9	53.9	0	0	0	0	116.4	K33	T31-K33 PolarHBondContact O-N 2.82Å
32	A	26.2	Very low	26.6	Very low	95 Å²	95	133.3 Å²	133.3	79%	0.785	76%	0.761	S	S	*	*			trans	-82.1	93.4	174.2	0	0	0	0	0	110.2	K30	K30-A32 PolarHBondContact O-N 3.49Å
33	K	23.7	Very low	26.7	Very low	175 Å²	175	132.8 Å²	132.8	76%	0.761	76%	0.763	S	S	*	*			trans	-73.1	123.5	156.1	-77.7	-177.6	180	173.7	0	107.1	T31	T31-K33 PolarHBondContact O-N 2.82Å
34	N	23.5	Very low	26.8	Very low	131 Å²	131	130 Å²	130	70%	0.701	76%	0.758	S	S	*	*			trans	70.3	118.5	-179.2	-45.9	-34.8	0	0	0	114.6
35	Y	24.4	Very low	26.6	Very low	239 Å²	239	133.9 Å²	133.9	94%	0.937	77%	0.767	S	S	*	*				-171.8	158.6	107.3	-92.9	-68.9	0	0	0	109.4
36	K	22.3	Very low	26.5	Very low	210 Å²	210	138.6 Å²	138.6	91%	0.913	77%	0.773	S	S	*	*			trans	-123.6	130.7	-172.3	-170.2	-177.8	-174	-177.7	0	107.6
37	A	26	Very low	26.3	Very low	101 Å²	101	141.1 Å²	141.1	84%	0.835	78%	0.779	S	S	*	*			trans	-137.1	160.5	-179.6	0	0	0	0	0	111
38	D	29.6	Very low	26.3	Very low	160 Å²	160	143.4 Å²	143.4	86%	0.856	80%	0.802	S	S	*	*			trans	-117.6	-174.6	-156.9	58.4	-26.4	0	0	0	114.7
39	K	28.5	Very low	26	Very low	213 Å²	213	146.4 Å²	146.4	93%	0.926	81%	0.814	S	S	*	*			trans	-96.2	101.1	-157.8	-64.2	177.7	177.3	-179.2	0	112.9
40	A	32.6	Very low	26.1	Very low	95 Å²	95	146.3 Å²	146.3	79%	0.785	83%	0.828	S	S	*	*			trans	-151.5	45.2	169.7	0	0	0	0	0	113.8	Q42	A40-Q42 PolarHBondContact O-N 3.33Å; A40-Q42 VanDerWaalsContact O-N 3.1Å
41	G	27.7	Very low	26	Very low	84 Å²	84	148.1 Å²	148.1	87%	0.866	84%	0.844	S	S	*	*			trans	-67.9	106.5	-174.4	0	0	0	0	0	114.7
42	Q	27.2	Very low	26.1	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	84%	0.844	S	S	*	*			trans	-151.5	139	157.8	-91.1	-176.8	23.6	0	0	109.7	A40	A40-Q42 PolarHBondContact O-N 3.33Å; A40-Q42 VanDerWaalsContact O-N 3.1Å
43	V	26.6	Very low	26.1	Very low	149 Å²	149	150.5 Å²	150.5	90%	0.903	84%	0.843	S	S	*	*			trans	-143.9	135.9	169.1	179.9	0	0	0	0	108
44	T	25.1	Very low	26.3	Very low	116 Å²	116	150.4 Å²	150.4	71%	0.712	85%	0.85	S	S	*	*			trans	-112.2	144.1	179	40.1	0	0	0	0	111.7
45	D	23.8	Very low	26.3	Very low	163 Å²	163	150 Å²	150	87%	0.872	86%	0.856	S	S	*	*			trans	-76	141.9	177.9	-85.7	-47.3	0	0	0	112.4
46	Y	25	Very low	26.3	Very low	227 Å²	227	145.5 Å²	145.5	89%	0.89	85%	0.854	S	S	*	*			trans	-138	127	155.8	-88.9	-81.2	0	0	0	110.7
47	S	23.2	Very low	26.2	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	85%	0.847	S	S	*	*			trans	-107.9	141.3	168.8	54.9	0	0	0	0	109.7
48	S	26.9	Very low	26.1	Very low	127 Å²	127	148 Å²	148	89%	0.888	85%	0.852	S	S	*	*			trans	-143.3	145.5	167.1	63.2	0	0	0	0	111
49	S	23.5	Very low	25.7	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	85%	0.854	S	S	*	*			trans	-96.2	150.6	-175.2	48.8	0	0	0	0	111.6
50	A	29.6	Very low	25.5	Very low	101 Å²	101	151.4 Å²	151.4	84%	0.835	85%	0.853	S	S	*	*			trans	-148.9	116.2	155.7	0	0	0	0	0	109.2
51	N	24.5	Very low	25.1	Very low	157 Å²	157	150.3 Å²	150.3	84%	0.84	84%	0.844	S	S	*	*			trans	-78.3	145.9	160.5	-70.9	-32.2	0	0	0	108
52	D	29.2	Very low	25	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	84%	0.838	S	S	*	*			trans	-162.7	139.9	132.5	-104.6	-25.6	0	0	0	111.6
53	T	25.5	Very low	25.1	Very low	122 Å²	122	148.6 Å²	148.6	75%	0.748	83%	0.827	S	S	*	*			trans	-104.8	137.8	-176.8	44	0	0	0	0	110.9
54	N	27.3	Very low	25.1	Very low	172 Å²	172	151.3 Å²	151.3	92%	0.92	82%	0.821	S	S	*	*			trans	-162.2	144	145	-102.6	-47.2	0	0	0	112.5
55	C	22.8	Very low	25.4	Very low	122 Å²	122	153.6 Å²	153.6	82%	0.824	83%	0.827	S	S	*	*			trans	-89.3	158.8	-172.4	-65.7	0	0	0	0	113.2
56	V	24.3	Very low	25.4	Very low	146 Å²	146	149.2 Å²	149.2	89%	0.885	81%	0.809	S	S	*	*				-163.3	143.8	121.6	164.5	0	0	0	0	109.5
57	L	21.6	Very low	25.5	Very low	149 Å²	149	145.1 Å²	145.1	78%	0.78	80%	0.802	S	S	*	*			trans	-90.5	150.8	-179.1	-77	153	0	0	0	113.4
58	F	23.8	Very low	25.7	Very low	215 Å²	215	149.3 Å²	149.3	94%	0.943	80%	0.801	S	S	*	*			trans	-155.1	150.7	132.2	-108.4	-73	0	0	0	112.6
59	R	21.6	Very low	25.5	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.891	80%	0.801	S	S	*	*			trans	-102.3	136.6	-170.5	-75.3	174.9	168.8	169.6	-3.4	113.6
60	K	23.5	Very low	25.7	Very low	207 Å²	207	156.9 Å²	156.9	90%	0.9	80%	0.801	S	S	*	*				-154.2	145.5	124.3	-122.7	172.6	-177.4	174.9	0	110.3
61	A	23.4	Very low	25.4	Very low	73 Å²	73	157.8 Å²	157.8	60%	0.603	80%	0.802	S	S	*	*			trans	-86.6	135.3	-155.2	0	0	0	0	0	114.9
62	N	26.8	Very low	25.5	Very low	137 Å²	137	153.5 Å²	153.5	73%	0.733	79%	0.794	S	S	*	*			trans	-144.5	152.6	144.8	-109.1	-18.8	0	0	0	106.9	R64	N62-R64 PolarHBondContact O-N 3.14Å; N62-R64 VanDerWaalsContact O-N 3.15Å
63	P	28.7	Very low	25.2	Very low	98 Å²	98	151.8 Å²	151.8	64%	0.636	79%	0.794	S	S	*	*			trans	-64.1	116.8	-161.3	23.8	-34	0	0	0	112.6	I253	P63-I253 HydrophobicContact CB-CD1 4.32Å
64	R	27.7	Very low	25.2	Very low	206 Å²	206	155.9 Å²	155.9	78%	0.777	80%	0.802	S	S	*	*			trans	-83.5	131.4	165.1	-69	-176.6	177.9	-177.1	-2.3	108.5	N62	N62-R64 PolarHBondContact O-N 3.14Å; N62-R64 VanDerWaalsContact O-N 3.15Å
65	I	29.8	Very low	25	Very low	164 Å²	164	152.3 Å²	152.3	84%	0.841	79%	0.791	S	S	*	*			trans	-115.2	91.6	153.6	-59.5	176.6	0	0	0	105.1
66	S	25.3	Very low	25.1	Very low	71 Å²	71	157.2 Å²	157.2	50%	0.497	79%	0.792	S	S	.	*			trans	-120.9	172.9	156.4	60.8	0	0	0	0	106.7
67	D	25.6	Very low	25.2	Very low	140 Å²	140	157.1 Å²	157.1	75%	0.749	79%	0.792	S	S	*	*			trans	83	69.6	168.7	-37	-10.4	0	0	0	113.6
68	Y	27.8	Very low	25.5	Very low	209 Å²	209	154.4 Å²	154.4	82%	0.82	79%	0.791	S	S	*	*			trans	-133	87.9	148.3	-87	-73.4	0	0	0	108.3
69	E	23.2	Very low	25.7	Very low	189 Å²	189	150.6 Å²	150.6	88%	0.883	79%	0.785	S	S	*	*			trans	-72	139	151.9	-68.5	-175.2	141.4	0	0	107.9
70	Y	27.4	Very low	26.2	Very low	216 Å²	216	144.7 Å²	144.7	85%	0.847	78%	0.777	S	S	*	*			trans	-134.4	100.9	161.6	-141.4	-86.2	0	0	0	109	G72	Y70-G72 PolarHBondContact O-N 3.46Å
71	S	23.4	Very low	26.7	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	76%	0.761	S	S	*	*			trans	-66.7	114.5	169.3	51.4	0	0	0	0	109.4
72	G	26.5	Very low	27.3	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	76%	0.755	S	S	*	*			trans	-165.8	100.2	178.4	0	0	0	0	0	112	Y70 F74	Y70-G72 PolarHBondContact O-N 3.46Å; G72-F74 PolarHBondContact O-N 3.09Å
73	C	22.3	Very low	27.5	Very low	128 Å²	128	135.5 Å²	135.5	87%	0.865	75%	0.749	S	S	*	*			trans	-59.8	120.8	165.4	-70.5	0	0	0	0	109.6
74	F	27.2	Very low	27.6	Very low	208 Å²	208	133.3 Å²	133.3	91%	0.912	74%	0.739	S	S	*	*			trans	-152.8	138.1	142.8	-106.1	-70.7	0	0	0	111.6	G72	G72-F74 PolarHBondContact O-N 3.09Å
75	S	22.7	Very low	28	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	73%	0.734	S	S	*	*			trans	-80.8	165.5	176.8	54.7	0	0	0	0	111.9
76	R	24.8	Very low	28.8	Very low	225 Å²	225	124.7 Å²	124.7	85%	0.849	70%	0.704	S	S	*	*	S	Bend	trans	90.1	101.6	170.5	-59.1	-175.1	169.9	-161.8	-3.6	117.7
77	T	25.6	Very low	29.4	Very low	144 Å²	144	126.5 Å²	126.5	88%	0.883	70%	0.704	S	S	*	*				39.3	83.6	128.8	57.5	0	0	0	0	117.8
78	A	29.4	Very low	30.1	Very low	92 Å²	92	123.4 Å²	123.4	76%	0.76	69%	0.688	S	S	*	*			trans	-138.8	133.2	155.1	0	0	0	0	0	109.4	P80	A78-P80 WeakPolarHBondContact O-CD 3.23Å
79	V	26.2	Very low	31.2	Very low	135 Å²	135	116.6 Å²	116.6	82%	0.818	66%	0.661	S	S	*	*			trans	-84.6	117.9	178.4	176.4	0	0	0	0	108.9
80	P	32.7	Very low	32.2	Very low	112 Å²	112	109.1 Å²	109.1	73%	0.727	63%	0.626	S	S	*	*			trans	-89.4	110.4	173.5	11.5	6.4	0	0	0	109.8	A78 A82	A78-P80 WeakPolarHBondContact O-CD 3.23Å; P80-A82 PolarHBondContact O-N 3.28Å
81	T	34.4	Very low	33	Very low	92 Å²	92	102.8 Å²	102.8	56%	0.564	61%	0.61	S	S	*	*			trans	-75.1	103.8	174.5	42.1	0	0	0	0	110.5	A83 A84	T81-A83 PolarHBondContact O-N 2.86Å; T81-A84 PolarHBondContact O-N 3.5Å
82	A	34.9	Very low	34.2	Very low	59 Å²	59	104.5 Å²	104.5	49%	0.488	60%	0.598	S	S	.	*	H	α-helix	trans	-57.1	-17.7	179.2	0	0	0	0	0	114.4	P80 T323	P80-A82 PolarHBondContact O-N 3.28Å; A82-T323 HydrophobicContact CB-CG2 4.04Å
83	A	31.2	Very low	35.2	Very low	72 Å²	72	104.9 Å²	104.9	60%	0.595	58%	0.582	S	S	*	*	H	α-helix	trans	-65	-42.8	173.3	0	0	0	0	0	113.2	T81 H85 E86 E87	T81-A83 PolarHBondContact O-N 2.86Å; A83-H85 PolarHBondContact O-N 3.35Å; A83-E86 PolarHBondContact O-N 2.88Å; A83-E86 VanDerWaalsContact O-N 3.14Å; A83-E87 PolarHBondContact O-N 2.98Å
84	A	30.9	Very low	36.2	Very low	52 Å²	52	100.2 Å²	100.2	43%	0.43	55%	0.55	S	S	.	.	H	α-helix	trans	-65.8	-38.3	-174.8	0	0	0	0	0	112.4	T81 E86 D88	T81-A84 PolarHBondContact O-N 3.5Å; A84-E86 VanDerWaalsContact C-N 3.29Å; A84-E86 PolarHBondContact O-N 2.81Å; A84-D88 WeakPolarHBondContact O-CB 3.33Å; A84-D88 PolarHBondContact O-N 3.46Å
85	H	37.2	Very low	36.9	Very low	147 Å²	147	93.3 Å²	93.3	68%	0.681	53%	0.527	S	S	*	.	H	α-helix	trans	-67.3	-26.6	175.5	-85.2	-67.9	0	0	0	113.8	A83 R89	A83-H85 PolarHBondContact O-N 3.35Å; H85-R89 PolarHBondContact O-N 3.19Å
86	E	45.4	Very low	37.9	Very low	43 Å²	43	90.6 Å²	90.6	20%	0.201	51%	0.51	C	S	.	.	H	α-helix	trans	-88.2	-33.7	-179.8	-166.7	77.5	155.7	0	0	111.8	A83 A84 D88 R89 I90 R294	A83-E86 PolarHBondContact O-N 2.88Å; A83-E86 VanDerWaalsContact O-N 3.14Å; A84-E86 VanDerWaalsContact C-N 3.29Å; A84-E86 PolarHBondContact O-N 2.81Å; E86-D88 VanDerWaalsContact C-N 3.32Å; E86-D88 PolarHBondContact O-N 2.93Å; E86-R89 VanDerWaalsContact CD-NH1 3.31Å; E86-R89 PolarHBondContact O-N 3.34Å; E86-R89 IonicContact OE1-CZ 2.65Å; E86-R89 IonicContact OE1-NH1 2.61Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; E86-R89 WeakPolarHBondContact OE2-CD 3.14Å; E86-R89 IonicContact OE2-CZ 2.72Å; E86-R89 IonicContact OE2-NH1 3.58Å; E86-R89 PolarHBondContact OE2-NH1 3.44Å; E86-R89 VanDerWaalsContact OE2-NH1 3.07Å; E86-I90 HydrophobicContact CG-CD1 4.46Å; E86-I90 WeakPolarHBondContact O-CG1 3.31Å; E86-I90 PolarHBondContact O-N 3.02Å; E86-R294 IonicContact OE1-CZ 2.75Å; E86-R294 IonicContact OE1-NH1 3.25Å; E86-R294 PolarHBondContact OE1-NH1 3.02Å; E86-R294 IonicContact OE1-NH2 3.74Å; E86-R294 PolarHBondContact OE1-NH2 2.97Å
87	E	39.5	Very low	38.9	Very low	108 Å²	108	81.3 Å²	81.3	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-55.8	-49.2	166.6	-74.5	-161.8	131.6	0	0	110.6	A83 R89 I90 V91	A83-E87 PolarHBondContact O-N 2.98Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.31Å; E87-I90 PolarHBondContact O-N 3.09Å; E87-I90 VanDerWaalsContact O-N 3.11Å; E87-V91 WeakPolarHBondContact O-CG2 3.47Å; E87-V91 PolarHBondContact O-N 3.09Å
88	D	40	Very low	39.6	Very low	75 Å²	75	76.7 Å²	76.7	40%	0.401	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-32.8	-179.2	-159.2	56.2	0	0	0	112.1	A84 E86 R92	A84-D88 WeakPolarHBondContact O-CB 3.33Å; A84-D88 PolarHBondContact O-N 3.46Å; E86-D88 VanDerWaalsContact C-N 3.32Å; E86-D88 PolarHBondContact O-N 2.93Å; D88-R92 VanDerWaalsContact O-CG 3.22Å; D88-R92 WeakPolarHBondContact O-CG 3.49Å; D88-R92 PolarHBondContact O-N 3.35Å; D88-R92 VanDerWaalsContact O-N 3.1Å; D88-R92 IonicContact OD2-CZ 2.85Å; D88-R92 VanDerWaalsContact OD2-CZ 3.28Å; D88-R92 IonicContact OD2-NE 2.63Å; D88-R92 PolarHBondContact OD2-NE 3.28Å; D88-R92 IonicContact OD2-NH2 3.28Å; D88-R92 PolarHBondContact OD2-NH2 3.02Å
89	R	49.4	Very low	40.2	Very low	66 Å²	66	78.2 Å²	78.2	25%	0.249	44%	0.441	C	S	.	.	H	α-helix	trans	-68.3	-43.6	171.3	177.5	175.4	156.6	-119.5	-20.4	112.5	H85 E86 E87 V91 R92 E93	H85-R89 PolarHBondContact O-N 3.19Å; E86-R89 VanDerWaalsContact CD-NH1 3.31Å; E86-R89 PolarHBondContact O-N 3.34Å; E86-R89 IonicContact OE1-CZ 2.65Å; E86-R89 IonicContact OE1-NH1 2.61Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; E86-R89 WeakPolarHBondContact OE2-CD 3.14Å; E86-R89 IonicContact OE2-CZ 2.72Å; E86-R89 IonicContact OE2-NH1 3.58Å; E86-R89 PolarHBondContact OE2-NH1 3.44Å; E86-R89 VanDerWaalsContact OE2-NH1 3.07Å; E87-R89 VanDerWaalsContact C-N 3.27Å; E87-R89 PolarHBondContact O-N 3.31Å; R89-V91 VanDerWaalsContact C-N 3.33Å; R89-R92 WeakPolarHBondContact O-CB 3.21Å; R89-R92 PolarHBondContact O-N 2.92Å; R89-E93 IonicContact CZ-OE1 3.36Å; R89-E93 IonicContact NE-OE1 3.86Å; R89-E93 PolarHBondContact NE-OE1 3.46Å; R89-E93 IonicContact NH2-OE1 3.72Å; R89-E93 PolarHBondContact NH2-OE1 2.92Å; R89-E93 IonicContact NH2-OE2 2.64Å; R89-E93 PolarHBondContact O-N 3.49Å
90	I	45.6	Very low	41	Very low	32 Å²	32	77 Å²	77	16%	0.164	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-41	177.7	-68.1	166.9	0	0	0	110.1	E86 E87 R92 E93 V94 L182 Y291	E86-I90 HydrophobicContact CG-CD1 4.46Å; E86-I90 WeakPolarHBondContact O-CG1 3.31Å; E86-I90 PolarHBondContact O-N 3.02Å; E87-I90 PolarHBondContact O-N 3.09Å; E87-I90 VanDerWaalsContact O-N 3.11Å; I90-R92 VanDerWaalsContact C-N 3.28Å; I90-R92 PolarHBondContact O-N 3.43Å; I90-E93 PolarHBondContact O-N 3.47Å; I90-V94 HydrophobicContact CG2-CG2 4.32Å; I90-V94 WeakPolarHBondContact O-CB 3.47Å; I90-V94 WeakPolarHBondContact O-CG2 3.42Å; I90-V94 PolarHBondContact O-N 2.78Å; I90-L182 HydrophobicContact CD1-CD2 4.35Å; I90-L182 HydrophobicContact CG2-CD1 3.44Å; I90-L182 VanDerWaalsContact CG2-CD1 3.44Å; I90-L182 HydrophobicContact CG2-CD2 3.72Å; I90-L182 HydrophobicContact CG2-CG 4.22Å; I90-Y291 HydrophobicContact CD1-CD2 4.27Å; I90-Y291 HydrophobicContact CD1-CE2 4.11Å
91	V	44.3	Very low	41.4	Very low	84 Å²	84	74.4 Å²	74.4	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-59.7	-37.8	173.7	170.9	0	0	0	0	111.6	E87 R89 S95	E87-V91 WeakPolarHBondContact O-CG2 3.47Å; E87-V91 PolarHBondContact O-N 3.09Å; R89-V91 VanDerWaalsContact C-N 3.33Å; V91-S95 VanDerWaalsContact O-CB 3.26Å; V91-S95 WeakPolarHBondContact O-CB 3.23Å; V91-S95 PolarHBondContact O-N 3.36Å; V91-S95 PolarHBondContact O-OG 3.32Å
92	R	47.4	Very low	41.6	Very low	156 Å²	156	74.7 Å²	74.7	59%	0.589	40%	0.398	S	S	*	.	H	α-helix	trans	-68.7	-41.4	173.1	-67.9	168.4	-157	-164	4.5	112.7	D88 R89 I90 S95 A96	D88-R92 VanDerWaalsContact O-CG 3.22Å; D88-R92 WeakPolarHBondContact O-CG 3.49Å; D88-R92 PolarHBondContact O-N 3.35Å; D88-R92 VanDerWaalsContact O-N 3.1Å; D88-R92 IonicContact OD2-CZ 2.85Å; D88-R92 VanDerWaalsContact OD2-CZ 3.28Å; D88-R92 IonicContact OD2-NE 2.63Å; D88-R92 PolarHBondContact OD2-NE 3.28Å; D88-R92 IonicContact OD2-NH2 3.28Å; D88-R92 PolarHBondContact OD2-NH2 3.02Å; R89-R92 WeakPolarHBondContact O-CB 3.21Å; R89-R92 PolarHBondContact O-N 2.92Å; I90-R92 VanDerWaalsContact C-N 3.28Å; I90-R92 PolarHBondContact O-N 3.43Å; R92-S95 PolarHBondContact O-N 3.5Å; R92-A96 PolarHBondContact O-N 3.29Å
93	E	47.7	Very low	42	Very low	75 Å²	75	77.5 Å²	77.5	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-39.4	176.2	-72.5	176.1	-170	0	0	111.1	R89 I90 A96 L97	R89-E93 IonicContact CZ-OE1 3.36Å; R89-E93 IonicContact NE-OE1 3.86Å; R89-E93 PolarHBondContact NE-OE1 3.46Å; R89-E93 IonicContact NH2-OE1 3.72Å; R89-E93 PolarHBondContact NH2-OE1 2.92Å; R89-E93 IonicContact NH2-OE2 2.64Å; R89-E93 PolarHBondContact O-N 3.49Å; I90-E93 PolarHBondContact O-N 3.47Å; E93-A96 WeakPolarHBondContact O-CB 3.5Å; E93-A96 PolarHBondContact O-N 3.44Å; E93-L97 PolarHBondContact O-N 3.09Å
94	V	44.5	Very low	42.4	Very low	30 Å²	30	75.6 Å²	75.6	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-68.5	-37.8	171.7	174.2	0	0	0	0	112.3	I90 A96 L97 A98 V178 L182	I90-V94 HydrophobicContact CG2-CG2 4.32Å; I90-V94 WeakPolarHBondContact O-CB 3.47Å; I90-V94 WeakPolarHBondContact O-CG2 3.42Å; I90-V94 PolarHBondContact O-N 2.78Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.12Å; V94-L97 WeakPolarHBondContact O-CB 3.42Å; V94-L97 PolarHBondContact O-N 2.76Å; V94-L97 VanDerWaalsContact O-N 3.16Å; V94-A98 PolarHBondContact O-N 2.87Å; V94-V178 HydrophobicContact CG2-CG1 3.75Å; V94-L182 HydrophobicContact CG2-CD1 4.07Å
95	S	41.7	Very low	42.8	Very low	63 Å²	63	76.3 Å²	76.3	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-33.1	173.4	-63.2	0	0	0	0	112.1	V91 R92 A98 Y99	V91-S95 VanDerWaalsContact O-CB 3.26Å; V91-S95 WeakPolarHBondContact O-CB 3.23Å; V91-S95 PolarHBondContact O-N 3.36Å; V91-S95 PolarHBondContact O-OG 3.32Å; R92-S95 PolarHBondContact O-N 3.5Å; S95-A98 PolarHBondContact O-N 3.06Å; S95-Y99 PolarHBondContact O-N 3.42Å
96	A	43.5	Very low	43	Very low	40 Å²	40	71.2 Å²	71.2	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-41.2	171	0	0	0	0	0	111.2	R92 E93 V94 A98 Y99 Y100	R92-A96 PolarHBondContact O-N 3.29Å; E93-A96 WeakPolarHBondContact O-CB 3.5Å; E93-A96 PolarHBondContact O-N 3.44Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.12Å; A96-A98 VanDerWaalsContact C-N 3.31Å; A96-A98 PolarHBondContact O-N 2.8Å; A96-Y99 WeakPolarHBondContact O-CB 3.49Å; A96-Y99 PolarHBondContact O-N 3.12Å; A96-Y99 VanDerWaalsContact O-N 3.16Å; A96-Y100 HydrophobicContact CB-CE2 4.44Å; A96-Y100 WeakPolarHBondContact O-CD2 3.43Å; A96-Y100 PolarHBondContact O-N 3.15Å
97	L	44.6	Very low	42.7	Very low	30 Å²	30	73.1 Å²	73.1	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-58.1	-42	171.8	-67.4	173.8	0	0	0	111.9	E93 V94 Y100 K101 M280 V284	E93-L97 PolarHBondContact O-N 3.09Å; V94-L97 WeakPolarHBondContact O-CB 3.42Å; V94-L97 PolarHBondContact O-N 2.76Å; V94-L97 VanDerWaalsContact O-N 3.16Å; L97-Y100 PolarHBondContact O-N 2.6Å; L97-K101 PolarHBondContact O-N 2.88Å; L97-M280 HydrophobicContact CD2-CE 3.27Å; L97-V284 HydrophobicContact CD1-CG2 4.38Å; L97-V284 HydrophobicContact CD2-CG2 4.46Å
98	A	40.8	Very low	42.7	Very low	48 Å²	48	71.2 Å²	71.2	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-35.9	174.7	0	0	0	0	0	113.1	V94 S95 A96 K101 N102	V94-A98 PolarHBondContact O-N 2.87Å; S95-A98 PolarHBondContact O-N 3.06Å; A96-A98 VanDerWaalsContact C-N 3.31Å; A96-A98 PolarHBondContact O-N 2.8Å; A98-K101 WeakPolarHBondContact O-CB 3.34Å; A98-K101 PolarHBondContact O-N 2.79Å; A98-N102 PolarHBondContact O-N 3.31Å
99	Y	42	Very low	42.8	Very low	124 Å²	124	73.4 Å²	73.4	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-41	171.5	173.4	-93.7	0	0	0	112.1	S95 A96 R103	S95-Y99 PolarHBondContact O-N 3.42Å; A96-Y99 WeakPolarHBondContact O-CB 3.49Å; A96-Y99 PolarHBondContact O-N 3.12Å; A96-Y99 VanDerWaalsContact O-N 3.16Å; Y99-R103 PolarHBondContact O-N 3.27Å; Y99-R103 PolarHBondContact OH-NH1 3.4Å; Y99-R103 VanDerWaalsContact OH-NH1 3.09Å
100	Y	43.6	Very low	42	Very low	109 Å²	109	73.4 Å²	73.4	43%	0.427	37%	0.369	S	S	.	.	H	α-helix	trans	-68.9	-33.6	175.6	-74.7	-63.9	0	0	0	112.6	A96 L97 R103 L104	A96-Y100 HydrophobicContact CB-CE2 4.44Å; A96-Y100 WeakPolarHBondContact O-CD2 3.43Å; A96-Y100 PolarHBondContact O-N 3.15Å; L97-Y100 PolarHBondContact O-N 2.6Å; Y100-R103 CarbonylContact O-C 3.57Å; Y100-R103 PolarHBondContact O-N 2.73Å; Y100-R103 VanDerWaalsContact O-N 3.13Å; Y100-L104 WeakPolarHBondContact O-CD1 3.24Å; Y100-L104 VanDerWaalsContact O-CG 3.32Å; Y100-L104 WeakPolarHBondContact O-CG 3.36Å; Y100-L104 PolarHBondContact O-N 3.46Å
101	K	40.3	Very low	41.7	Very low	57 Å²	57	76 Å²	76	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-52.6	-58.9	171	177.2	-177.1	170.4	178.3	0	111	L97 A98 R103 L104 E105 I171	L97-K101 PolarHBondContact O-N 2.88Å; A98-K101 WeakPolarHBondContact O-CB 3.34Å; A98-K101 PolarHBondContact O-N 2.79Å; K101-R103 PolarHBondContact O-N 3.18Å; K101-R103 VanDerWaalsContact O-N 3.11Å; K101-L104 PolarHBondContact O-N 3.31Å; K101-L104 VanDerWaalsContact O-N 3.07Å; K101-E105 WeakPolarHBondContact CE-OE1 3.45Å; K101-E105 IonicContact NZ-OE1 2.24Å; K101-E105 WeakPolarHBondContact O-CG 3.44Å; K101-E105 PolarHBondContact O-N 3.5Å; K101-I171 HydrophobicContact CB-CG2 4.06Å; K101-I171 HydrophobicContact CD-CG2 4.39Å; K101-I171 HydrophobicContact CG-CG2 4.02Å
102	N	40.1	Very low	41.6	Very low	99 Å²	99	76.3 Å²	76.3	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-57.1	-32	178.8	-68.9	6.4	0	0	0	112.3	A98 S106	A98-N102 PolarHBondContact O-N 3.31Å; N102-S106 WeakPolarHBondContact O-CB 3.44Å; N102-S106 PolarHBondContact O-N 2.95Å; N102-S106 VanDerWaalsContact O-N 3.17Å; N102-S106 PolarHBondContact O-OG 2.88Å
103	R	42.7	Very low	41.1	Very low	118 Å²	118	72.4 Å²	72.4	45%	0.445	39%	0.388	S	S	.	.	H	α-helix	trans	-79.6	-27.9	-179.2	-166.3	166.8	175.7	160.7	-5.9	113.3	Y99 Y100 K101 I107	Y99-R103 PolarHBondContact O-N 3.27Å; Y99-R103 PolarHBondContact OH-NH1 3.4Å; Y99-R103 VanDerWaalsContact OH-NH1 3.09Å; Y100-R103 CarbonylContact O-C 3.57Å; Y100-R103 PolarHBondContact O-N 2.73Å; Y100-R103 VanDerWaalsContact O-N 3.13Å; K101-R103 PolarHBondContact O-N 3.18Å; K101-R103 VanDerWaalsContact O-N 3.11Å; R103-I107 HydrophobicContact CG-CD1 4.35Å; R103-I107 WeakPolarHBondContact O-CD1 3.33Å; R103-I107 WeakPolarHBondContact O-CG1 3.44Å; R103-I107 PolarHBondContact O-N 3.49Å
104	L	39	Very low	40.4	Very low	32 Å²	32	78.4 Å²	78.4	17%	0.168	42%	0.416	C	S	.	.	H	α-helix	trans	-76.9	-44.6	173.4	-72.4	155.3	0	0	0	111	Y100 K101 S106 I107 E108 I171 F276	Y100-L104 WeakPolarHBondContact O-CD1 3.24Å; Y100-L104 VanDerWaalsContact O-CG 3.32Å; Y100-L104 WeakPolarHBondContact O-CG 3.36Å; Y100-L104 PolarHBondContact O-N 3.46Å; K101-L104 PolarHBondContact O-N 3.31Å; K101-L104 VanDerWaalsContact O-N 3.07Å; L104-S106 PolarHBondContact O-N 2.96Å; L104-I107 WeakPolarHBondContact O-CA 3.49Å; L104-I107 PolarHBondContact O-N 3.33Å; L104-E108 PolarHBondContact O-N 3.26Å; L104-I171 HydrophobicContact CB-CD1 4.21Å; L104-I171 HydrophobicContact CD1-CD1 3.73Å; L104-F276 HydrophobicContact CD1-CD1 4.36Å; L104-F276 HydrophobicContact CD1-CE1 3.51Å; L104-F276 HydrophobicContact CD1-CZ 4.18Å; L104-F276 HydrophobicContact CD2-CD1 3.67Å; L104-F276 HydrophobicContact CD2-CE1 3.53Å; L104-F276 HydrophobicContact CD2-CZ 4.28Å; L104-F276 HydrophobicContact CG-CE1 4.06Å
105	E	40.7	Very low	39.9	Very low	66 Å²	66	80.5 Å²	80.5	31%	0.308	44%	0.444	S	S	.	.	H	α-helix	trans	-53.9	-38.3	170.2	-69.1	169.7	168.4	0	0	110.8	K101 I107 L109	K101-E105 WeakPolarHBondContact CE-OE1 3.45Å; K101-E105 IonicContact NZ-OE1 2.24Å; K101-E105 WeakPolarHBondContact O-CG 3.44Å; K101-E105 PolarHBondContact O-N 3.5Å; E105-I107 PolarHBondContact O-N 3.49Å; E105-L109 WeakPolarHBondContact O-CB 3.22Å; E105-L109 PolarHBondContact O-N 3.11Å
106	S	40.7	Very low	39.4	Very low	40 Å²	40	80.9 Å²	80.9	28%	0.28	45%	0.446	S	S	.	.	H	α-helix	trans	-70.8	-22.4	174	-58.9	0	0	0	0	115	N102 L104 L110	N102-S106 WeakPolarHBondContact O-CB 3.44Å; N102-S106 PolarHBondContact O-N 2.95Å; N102-S106 VanDerWaalsContact O-N 3.17Å; N102-S106 PolarHBondContact O-OG 2.88Å; L104-S106 PolarHBondContact O-N 2.96Å; S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 WeakPolarHBondContact O-CG 3.44Å
107	I	39.9	Very low	38.9	Very low	84 Å²	84	85.4 Å²	85.4	43%	0.431	47%	0.465	S	S	.	.	H	α-helix	trans	-93.3	-36.7	-178.5	-72.6	165.2	0	0	0	110.9	R103 L104 E105 L109 L110 S111	R103-I107 HydrophobicContact CG-CD1 4.35Å; R103-I107 WeakPolarHBondContact O-CD1 3.33Å; R103-I107 WeakPolarHBondContact O-CG1 3.44Å; R103-I107 PolarHBondContact O-N 3.49Å; L104-I107 WeakPolarHBondContact O-CA 3.49Å; L104-I107 PolarHBondContact O-N 3.33Å; E105-I107 PolarHBondContact O-N 3.49Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 2.86Å; I107-L110 CarbonylContact O-C 3.56Å; I107-L110 WeakPolarHBondContact O-CA 3.32Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3.25Å; I107-S111 PolarHBondContact O-N 3.13Å; I107-S111 PolarHBondContact O-OG 3.17Å
108	E	38.7	Very low	38.4	Very low	68 Å²	68	87.6 Å²	87.6	32%	0.318	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-32.4	175	-69.8	176.5	157.4	0	0	111.9	L104 L110 S111 S112	L104-E108 PolarHBondContact O-N 3.26Å; E108-L110 PolarHBondContact O-N 3.21Å; E108-S111 PolarHBondContact O-N 3.17Å; E108-S111 PolarHBondContact O-OG 2.72Å; E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 2.95Å; E108-S112 PolarHBondContact O-OG 3.25Å
109	L	41.5	Very low	38	Very low	120 Å²	120	93.3 Å²	93.3	63%	0.628	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-18.2	166.6	-96.6	159.6	0	0	0	114	E105 I107	E105-L109 WeakPolarHBondContact O-CB 3.22Å; E105-L109 PolarHBondContact O-N 3.11Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 2.86Å
110	L	33.9	Very low	37.8	Very low	67 Å²	67	90 Å²	90	35%	0.351	50%	0.501	S	S	.	.	H	α-helix	trans	-99	-28.7	177.3	-68.7	170.1	0	0	0	112.7	S106 I107 E108	S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 WeakPolarHBondContact O-CG 3.44Å; I107-L110 CarbonylContact O-C 3.56Å; I107-L110 WeakPolarHBondContact O-CA 3.32Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3.25Å; E108-L110 PolarHBondContact O-N 3.21Å
111	S	39.2	Very low	37.3	Very low	85 Å²	85	90.2 Å²	90.2	59%	0.594	50%	0.504	S	S	*	.	H	α-helix	trans	-83.7	-13.1	176.3	62	0	0	0	0	114.2	I107 E108 V113	I107-S111 PolarHBondContact O-N 3.13Å; I107-S111 PolarHBondContact O-OG 3.17Å; E108-S111 PolarHBondContact O-N 3.17Å; E108-S111 PolarHBondContact O-OG 2.72Å; S111-V113 VanDerWaalsContact C-N 3.29Å
112	S	42.1	Very low	37	Very low	91 Å²	91	92.6 Å²	92.6	64%	0.636	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	0.8	174.2	45.6	0	0	0	0	113.8	E108	E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 2.95Å; E108-S112 PolarHBondContact O-OG 3.25Å
113	V	35.6	Very low	36.9	Very low	74 Å²	74	94.9 Å²	94.9	45%	0.448	53%	0.527	S	S	.	.	S	Bend	trans	-106.7	101.6	176.3	-175.6	0	0	0	0	109.8	S111 G115 C116	S111-V113 VanDerWaalsContact C-N 3.29Å; V113-G115 PolarHBondContact O-N 2.88Å; V113-C116 HydrophobicContact CG1-CB 4.46Å
114	E	33.3	Very low	36.5	Very low	201 Å²	201	94.2 Å²	94.2	94%	0.939	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	127.8	169.8	-67.6	-172	143	0	0	110.4
115	G	34.3	Very low	36.4	Very low	74 Å²	74	99.8 Å²	99.8	76%	0.763	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-5.2	172.4	0	0	0	0	0	117.3	V113 N117	V113-G115 PolarHBondContact O-N 2.88Å; G115-N117 PolarHBondContact O-N 3.19Å
116	C	31.6	Very low	36.2	Very low	71 Å²	71	98.5 Å²	98.5	48%	0.48	55%	0.548	S	S	.	.			trans	-78.9	83.6	179.5	-96.5	0	0	0	0	113.7	V113	V113-C116 HydrophobicContact CG1-CB 4.46Å
117	N	31.6	Very low	35.9	Very low	136 Å²	136	101.5 Å²	101.5	73%	0.727	56%	0.561	S	S	*	*			trans	-57.9	157.8	165.7	-74.3	-43.3	0	0	0	112.3	G115 M119	G115-N117 PolarHBondContact O-N 3.19Å; N117-M119 PolarHBondContact O-N 2.86Å
118	A	34.7	Very low	35.6	Very low	76 Å²	76	102.1 Å²	102.1	63%	0.628	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	8	-163.4	0	0	0	0	0	119.7	F265	A118-F265 HydrophobicContact CB-CE1 4.39Å
119	M	32.9	Very low	35.4	Very low	168 Å²	168	104.9 Å²	104.9	83%	0.828	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-22.8	-177.9	-75	-165.1	-89.8	0	0	115.1	N117 F121	N117-M119 PolarHBondContact O-N 2.86Å; M119-F121 VanDerWaalsContact C-N 3.35Å; M119-F121 PolarHBondContact O-N 2.73Å
120	T	37.1	Very low	35.2	Very low	55 Å²	55	108.8 Å²	108.8	34%	0.337	59%	0.588	S	S	.	*	H	α-helix	trans	-73.8	-18.7	-173	7.1	0	0	0	0	114.8	N122 Q123 Y124	T120-N122 VanDerWaalsContact C-N 3.32Å; T120-N122 PolarHBondContact O-N 2.84Å; T120-Q123 PolarHBondContact O-N 2.8Å; T120-Y124 PolarHBondContact O-N 2.85Å
121	F	33	Very low	35.3	Very low	112 Å²	112	110.7 Å²	110.7	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-62.1	-35.8	-176.9	-168.4	-97.1	0	0	0	113.3	M119 Y124 R125	M119-F121 VanDerWaalsContact C-N 3.35Å; M119-F121 PolarHBondContact O-N 2.73Å; F121-Y124 PolarHBondContact O-N 3.48Å; F121-R125 PolarHBondContact O-N 3.49Å; F121-R125 VanDerWaalsContact O-N 3.09Å
122	N	35	Very low	34.9	Very low	108 Å²	108	110.2 Å²	110.2	58%	0.578	61%	0.61	S	S	*	*	H	α-helix	trans	-72.3	-31.1	178.8	-79.5	-25.2	0	0	0	113	T120 G126	T120-N122 VanDerWaalsContact C-N 3.32Å; T120-N122 PolarHBondContact O-N 2.84Å; N122-G126 PolarHBondContact O-N 2.77Å
123	Q	38.3	Very low	34.4	Very low	146 Å²	146	109.7 Å²	109.7	68%	0.682	61%	0.611	S	S	*	*	H	α-helix	trans	-69.7	-41	173.5	-71	177.9	-17.8	0	0	111.2	T120 R125 G126 L127	T120-Q123 PolarHBondContact O-N 2.8Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.48Å; Q123-G126 PolarHBondContact O-N 3.24Å; Q123-G126 VanDerWaalsContact O-N 3.14Å; Q123-L127 PolarHBondContact O-N 3.11Å
124	Y	32.8	Very low	34.1	Very low	105 Å²	105	111.7 Å²	111.7	41%	0.412	62%	0.624	S	S	.	*	H	α-helix	trans	-68.1	-31.9	178.2	-146.3	-98.2	0	0	0	113.1	T120 F121 G126 L127 L128	T120-Y124 PolarHBondContact O-N 2.85Å; F121-Y124 PolarHBondContact O-N 3.48Å; Y124-G126 PolarHBondContact O-N 3.03Å; Y124-L127 PolarHBondContact O-N 2.82Å; Y124-L127 VanDerWaalsContact O-N 3.09Å; Y124-L128 HydrophobicContact CD1-CD1 3.85Å; Y124-L128 HydrophobicContact CD1-CG 4.14Å; Y124-L128 HydrophobicContact CE1-CD1 4.15Å; Y124-L128 HydrophobicContact CE1-CG 4.2Å; Y124-L128 PolarHBondContact O-N 3.15Å
125	R	36.5	Very low	33.9	Very low	148 Å²	148	106.7 Å²	106.7	56%	0.558	62%	0.617	S	S	*	*	H	α-helix	trans	-61.4	-31.2	172.1	-160.5	177.2	-171.1	178.6	0.9	112.6	F121 Q123 N129	F121-R125 PolarHBondContact O-N 3.49Å; F121-R125 VanDerWaalsContact O-N 3.09Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.48Å; R125-N129 PolarHBondContact O-N 2.95Å
126	G	37	Very low	33.6	Very low	39 Å²	39	110 Å²	110	40%	0.402	62%	0.617	S	S	.	*	H	α-helix	trans	-71.5	-34.1	171.8	0	0	0	0	0	113.7	N122 Q123 Y124	N122-G126 PolarHBondContact O-N 2.77Å; Q123-G126 PolarHBondContact O-N 3.24Å; Q123-G126 VanDerWaalsContact O-N 3.14Å; Y124-G126 PolarHBondContact O-N 3.03Å
127	L	34	Very low	33.8	Very low	103 Å²	103	112.5 Å²	112.5	54%	0.539	64%	0.636	S	S	.	*	H	α-helix	trans	-70.4	-47.1	175.5	-110.9	89.1	0	0	0	112.1	Q123 Y124 N129 R130 V131	Q123-L127 PolarHBondContact O-N 3.11Å; Y124-L127 PolarHBondContact O-N 2.82Å; Y124-L127 VanDerWaalsContact O-N 3.09Å; L127-N129 VanDerWaalsContact C-N 3.26Å; L127-N129 PolarHBondContact O-N 3.13Å; L127-R130 WeakPolarHBondContact O-CA 3.29Å; L127-R130 PolarHBondContact O-N 2.79Å; L127-V131 PolarHBondContact O-N 3.15Å
128	L	33.5	Very low	33.6	Very low	98 Å²	98	111.3 Å²	111.3	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-60.9	-34.3	-179.3	-77.6	166.1	0	0	0	112.7	Y124 R130 G132	Y124-L128 HydrophobicContact CD1-CD1 3.85Å; Y124-L128 HydrophobicContact CD1-CG 4.14Å; Y124-L128 HydrophobicContact CE1-CD1 4.15Å; Y124-L128 HydrophobicContact CE1-CG 4.2Å; Y124-L128 PolarHBondContact O-N 3.15Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.35Å; L128-G132 PolarHBondContact O-N 3.18Å
129	N	36.2	Very low	33.5	Very low	125 Å²	125	113.1 Å²	113.1	67%	0.668	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-19.1	173.6	-76	-6.4	0	0	0	113.9	R125 L127	R125-N129 PolarHBondContact O-N 2.95Å; L127-N129 VanDerWaalsContact C-N 3.26Å; L127-N129 PolarHBondContact O-N 3.13Å
130	R	36.8	Very low	33.2	Very low	202 Å²	202	111.8 Å²	111.8	76%	0.762	65%	0.652	S	S	*	*	H	α-helix	trans	-89.7	-35	174.7	-74.2	-178.9	173	178.7	-1.8	112.7	L127 L128 G132 A133	L127-R130 WeakPolarHBondContact O-CA 3.29Å; L127-R130 PolarHBondContact O-N 2.79Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.35Å; R130-G132 VanDerWaalsContact C-N 3.32Å; R130-G132 PolarHBondContact O-N 2.99Å; R130-A133 PolarHBondContact O-N 3.41Å
131	V	35.1	Very low	32.8	Very low	107 Å²	107	113.1 Å²	113.1	65%	0.648	68%	0.676	S	S	*	*	H	α-helix	trans	-73	-24.4	178.8	178.1	0	0	0	0	112.3	L127 A133	L127-V131 PolarHBondContact O-N 3.15Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.1Å
132	G	31.1	Very low	32.4	Very low	75 Å²	75	116.5 Å²	116.5	77%	0.773	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-0.1	175.9	0	0	0	0	0	116.2	L128 R130	L128-G132 PolarHBondContact O-N 3.18Å; R130-G132 VanDerWaalsContact C-N 3.32Å; R130-G132 PolarHBondContact O-N 2.99Å
133	A	32.3	Very low	32.1	Very low	80 Å²	80	116.6 Å²	116.6	66%	0.661	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	4.1	-168.3	0	0	0	0	0	115	R130 V131	R130-A133 PolarHBondContact O-N 3.41Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.1Å
134	T	28.2	Very low	31.5	Very low	117 Å²	117	115.1 Å²	115.1	72%	0.718	72%	0.72	S	S	*	*			trans	-126.9	80.4	-176.7	57.9	0	0	0	0	111.2
135	A	28.9	Very low	31.4	Very low	96 Å²	96	118.7 Å²	118.7	79%	0.793	75%	0.745	S	S	*	*			trans	-140.9	40.9	173	0	0	0	0	0	111.4
136	D	29.8	Very low	31	Very low	143 Å²	143	115 Å²	115	77%	0.765	75%	0.752	S	S	*	*	S	Bend	trans	-150.1	144.3	166	-93.8	-43.4	0	0	0	110.3
137	S	34	Very low	30.4	Very low	124 Å²	124	122.6 Å²	122.6	87%	0.867	78%	0.777	S	S	*	*			trans	71	130.1	178.9	76.6	0	0	0	0	118.8
138	S	29.2	Very low	30.3	Very low	110 Å²	110	123.2 Å²	123.2	77%	0.769	79%	0.79	S	S	*	*			trans	-89.8	138.6	177.6	51.2	0	0	0	0	112.8
139	S	30.9	Very low	30	Very low	115 Å²	115	123 Å²	123	80%	0.804	80%	0.797	S	S	*	*				165.9	145	125.1	49.4	0	0	0	0	114.2
140	C	26.5	Very low	29.6	Very low	139 Å²	139	125.6 Å²	125.6	94%	0.939	81%	0.81	S	S	*	*			trans	25.3	129.2	153.9	-62.9	0	0	0	0	122.4
141	G	29	Very low	29.2	Very low	83 Å²	83	119.3 Å²	119.3	86%	0.856	81%	0.808	S	S	*	*			trans	159.8	88.1	152	0	0	0	0	0	116.7
142	L	25	Very low	28.8	Very low	184 Å²	184	122.9 Å²	122.9	96%	0.963	82%	0.817	S	S	*	*			trans	-80.3	136.8	168.4	-79.8	153.2	0	0	0	111.5
143	A	29.5	Very low	28.6	Very low	110 Å²	110	126.1 Å²	126.1	91%	0.909	82%	0.815	S	S	*	*			trans	-162.5	138.9	150.9	0	0	0	0	0	111.9
144	S	24.3	Very low	28.4	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	82%	0.819	S	S	*	*			trans	-114.1	138	-175	59.1	0	0	0	0	113.7
145	I	30.6	Very low	28.1	Very low	181 Å²	181	131.2 Å²	131.2	93%	0.928	82%	0.824	S	S	*	*			trans	-151.6	139.5	158.9	-51.3	179.5	0	0	0	105.8
146	G	28.1	Very low	28	Very low	70 Å²	70	135.5 Å²	135.5	72%	0.722	83%	0.83	S	S	*	*			cis	169	141.9	-2	0	0	0	0	0	108.3
147	Q	26	Very low	27.9	Very low	198 Å²	198	132 Å²	132	93%	0.925	82%	0.818	S	S	*	*			trans	-86.3	151	-169.5	-68	175.2	-23.3	0	0	115
148	S	30.4	Very low	27.4	Very low	116 Å²	116	134.9 Å²	134.9	81%	0.811	82%	0.817	S	S	*	*			trans	168.7	154.5	145.3	41.5	0	0	0	0	109.7
149	S	27.2	Very low	27.3	Very low	94 Å²	94	137.5 Å²	137.5	66%	0.657	82%	0.821	S	S	*	*			cis	-171.4	169.2	-24.3	55.2	0	0	0	0	108.3
150	L	29.2	Very low	27.1	Very low	179 Å²	179	136.1 Å²	136.1	94%	0.937	81%	0.808	S	S	*	*			trans	79.9	131.5	179.2	-51	147.3	0	0	0	115.3
151	G	28.5	Very low	27	Very low	70 Å²	70	135 Å²	135	72%	0.722	80%	0.801	S	S	*	*			cis	176	116.9	-10.4	0	0	0	0	0	114.1
152	H	25.4	Very low	26.9	Very low	182 Å²	182	134.9 Å²	134.9	84%	0.843	79%	0.792	S	S	*	*			trans	33	119.2	141	-108.5	-25.9	0	0	0	120.4
153	I	26.9	Very low	27.2	Very low	143 Å²	143	132.8 Å²	132.8	73%	0.733	78%	0.777	S	S	*	*				156.6	149.8	88.5	-86.3	146.7	0	0	0	108
154	P	28.3	Very low	27.2	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	77%	0.768	S	S	*	*			cis	-137.3	170.9	-35	41.4	-21.6	0	0	0	115.9
155	F	23.4	Very low	27.4	Very low	191 Å²	191	131.1 Å²	131.1	84%	0.838	76%	0.758	S	S	*	*			trans	-13.1	123.6	152.4	-138.5	-106.7	0	0	0	120.3
156	M	26.3	Very low	27.8	Very low	186 Å²	186	125.4 Å²	125.4	92%	0.916	73%	0.734	S	S	*	*			trans	-135.4	140.6	135.1	-84.6	-154.2	83.3	0	0	110.5
157	S	27.1	Very low	28.4	Very low	71 Å²	71	124.2 Å²	124.2	50%	0.497	71%	0.711	S	S	.	*			trans	-80.8	146.5	-161.6	47.1	0	0	0	0	116.5
158	E	24.2	Very low	29	Very low	184 Å²	184	117.6 Å²	117.6	86%	0.86	69%	0.687	S	S	*	*			trans	59.6	89.1	138.6	-64.2	-179.6	163.5	0	0	119.5
159	L	26.2	Very low	29.7	Very low	164 Å²	164	117.7 Å²	117.7	86%	0.859	67%	0.673	S	S	*	*			trans	-134.1	99.1	144.9	-96.1	132.1	0	0	0	111.1
160	T	26.1	Very low	30.5	Very low	86 Å²	86	115.1 Å²	115.1	53%	0.528	65%	0.649	S	S	.	*			trans	48.4	77.5	151.3	56.4	0	0	0	0	119.4	A162 Q163	T160-A162 PolarHBondContact O-N 2.83Å; T160-Q163 PolarHBondContact OG1-OE1 3.4Å
161	C	26.2	Very low	31.3	Very low	116 Å²	116	108.1 Å²	108.1	78%	0.784	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	0.7	162.9	-164	0	0	0	0	114.4
162	A	26.2	Very low	32.1	Very low	81 Å²	81	108.2 Å²	108.2	67%	0.669	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-25.2	-174.9	0	0	0	0	0	114.6	T160	T160-A162 PolarHBondContact O-N 2.83Å
163	Q	31.2	Very low	33.4	Very low	139 Å²	139	102.7 Å²	102.7	65%	0.65	57%	0.571	S	S	*	*	S	Bend	trans	-81.8	-15.9	-179.5	-78.3	159.9	-73.7	0	0	113.7	T160 A165 S166	T160-Q163 PolarHBondContact OG1-OE1 3.4Å; Q163-A165 VanDerWaalsContact C-N 3.35Å; Q163-S166 PolarHBondContact O-OG 3.01Å
164	V	30.3	Very low	34.7	Very low	117 Å²	117	96.6 Å²	96.6	71%	0.709	54%	0.539	S	S	*	.	S	Bend	trans	-74.9	-28.4	179.2	-174.5	0	0	0	0	111.5	S166	V164-S166 PolarHBondContact O-N 2.85Å
165	A	27.7	Very low	35.8	Very low	73 Å²	73	92.5 Å²	92.5	60%	0.603	51%	0.513	S	S	*	.	H	α-helix	trans	-75.8	-19.1	-178.8	0	0	0	0	0	114.3	Q163	Q163-A165 VanDerWaalsContact C-N 3.35Å
166	S	38.4	Very low	37.4	Very low	60 Å²	60	88 Å²	88	42%	0.42	49%	0.491	S	S	.	.	H	α-helix	trans	-76.1	-25.5	-175.8	53.8	0	0	0	0	114.1	Q163 V164 Y170	Q163-S166 PolarHBondContact O-OG 3.01Å; V164-S166 PolarHBondContact O-N 2.85Å; S166-Y170 PolarHBondContact O-N 3.07Å
167	D	41.4	Very low	38.7	Very low	45 Å²	45	86.3 Å²	86.3	24%	0.241	47%	0.474	C	S	.	.	H	α-helix	trans	-94.1	-30.9	-161.2	-75.8	22.4	0	0	0	113.2	F169 Y170 I171 R277	D167-F169 VanDerWaalsContact C-N 3.32Å; D167-Y170 WeakPolarHBondContact O-CB 3.23Å; D167-Y170 PolarHBondContact O-N 3.38Å; D167-I171 PolarHBondContact O-N 2.89Å; D167-R277 IonicContact OD1-CZ 3Å; D167-R277 IonicContact OD1-NH1 2.76Å; D167-R277 PolarHBondContact OD1-NH1 3.42Å; D167-R277 IonicContact OD2-CZ 3.57Å; D167-R277 IonicContact OD2-NH1 3.48Å; D167-R277 PolarHBondContact OD2-NH1 2.98Å
168	S	38	Very low	40	Very low	59 Å²	59	83.5 Å²	83.5	41%	0.413	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-42.1	164.1	-176.4	0	0	0	0	111.3	Y170 I171 E172	S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.39Å; S168-I171 PolarHBondContact O-N 3.28Å; S168-E172 PolarHBondContact O-N 2.85Å
169	F	45.3	Very low	41.4	Very low	118 Å²	118	78.6 Å²	78.6	52%	0.518	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-30.9	173.9	-122.7	-90.3	0	0	0	112.4	D167 N173	D167-F169 VanDerWaalsContact C-N 3.32Å; F169-N173 VanDerWaalsContact O-CB 3.28Å; F169-N173 WeakPolarHBondContact O-CB 3.38Å; F169-N173 VanDerWaalsContact O-CG 3.3Å; F169-N173 PolarHBondContact O-N 3.32Å; F169-N173 PolarHBondContact O-ND2 2.99Å
170	Y	44.3	Very low	42.9	Very low	41 Å²	41	75.4 Å²	75.4	16%	0.161	42%	0.417	C	S	.	.	H	α-helix	trans	-64	-51.4	176.4	178.1	-89	0	0	0	111.7	S166 D167 S168 E172 N173 L174 R277 E281	S166-Y170 PolarHBondContact O-N 3.07Å; D167-Y170 WeakPolarHBondContact O-CB 3.23Å; D167-Y170 PolarHBondContact O-N 3.38Å; S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.39Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.27Å; Y170-N173 PolarHBondContact O-N 3.2Å; Y170-L174 HydrophobicContact CE1-CB 4.38Å; Y170-L174 HydrophobicContact CE1-CD2 4.11Å; Y170-L174 WeakPolarHBondContact O-CB 3.35Å; Y170-L174 PolarHBondContact O-N 2.95Å; Y170-R277 VanDerWaalsContact CD2-NH2 3.26Å; Y170-R277 HydrophobicContact CE1-CG 4.44Å; Y170-E281 HydrophobicContact CE1-CG 4.11Å; Y170-E281 WeakPolarHBondContact CE2-OE1 3.16Å; Y170-E281 WeakPolarHBondContact CE2-OE2 3.5Å; Y170-E281 WeakPolarHBondContact OH-CB 3.12Å; Y170-E281 WeakPolarHBondContact OH-CG 3.38Å; Y170-E281 PolarHBondContact OH-OE1 2.94Å; Y170-E281 PolarHBondContact OH-OE2 3.37Å
171	I	46.3	Very low	44	Very low	32 Å²	32	72.9 Å²	72.9	16%	0.164	40%	0.402	C	S	.	.	H	α-helix	trans	-64.8	-39.3	-179.4	-61.3	176.4	0	0	0	110.6	K101 L104 D167 S168 L174 C175	K101-I171 HydrophobicContact CB-CG2 4.06Å; K101-I171 HydrophobicContact CD-CG2 4.39Å; K101-I171 HydrophobicContact CG-CG2 4.02Å; L104-I171 HydrophobicContact CB-CD1 4.21Å; L104-I171 HydrophobicContact CD1-CD1 3.73Å; D167-I171 PolarHBondContact O-N 2.89Å; S168-I171 PolarHBondContact O-N 3.28Å; I171-L174 PolarHBondContact O-N 3.05Å; I171-C175 PolarHBondContact O-N 3.48Å; I171-C175 PolarHBondContact O-SG 3.17Å
172	E	45.5	Very low	45	Very low	72 Å²	72	69.2 Å²	69.2	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-43.5	175.5	-154.3	-161.7	153	0	0	111.7	S168 Y170 L174 C175 R176	S168-E172 PolarHBondContact O-N 2.85Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.27Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-L174 PolarHBondContact O-N 2.85Å; E172-C175 PolarHBondContact O-N 3.16Å; E172-R176 WeakPolarHBondContact O-CG 3.3Å; E172-R176 PolarHBondContact O-N 2.97Å; E172-R176 IonicContact OE1-CZ 3.34Å; E172-R176 VanDerWaalsContact OE1-CZ 3.26Å; E172-R176 IonicContact OE1-NE 2.79Å; E172-R176 PolarHBondContact OE1-NE 2.98Å; E172-R176 IonicContact OE1-NH2 2.66Å; E172-R176 PolarHBondContact OE1-NH2 3.42Å; E172-R176 IonicContact OE2-CZ 3.71Å; E172-R176 IonicContact OE2-NH2 2.79Å; E172-R176 PolarHBondContact OE2-NH2 3.39Å; E172-R176 VanDerWaalsContact OE2-NH2 3.16Å
173	N	51.8	Low	46	Very low	66 Å²	66	68.4 Å²	68.4	35%	0.353	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-34	174.7	-79.9	-31.9	0	0	0	113.1	F169 Y170 R176 R177	F169-N173 VanDerWaalsContact O-CB 3.28Å; F169-N173 WeakPolarHBondContact O-CB 3.38Å; F169-N173 VanDerWaalsContact O-CG 3.3Å; F169-N173 PolarHBondContact O-N 3.32Å; F169-N173 PolarHBondContact O-ND2 2.99Å; Y170-N173 PolarHBondContact O-N 3.2Å; N173-R176 PolarHBondContact O-N 3.16Å; N173-R176 PolarHBondContact OD1-NH1 2.94Å; N173-R177 WeakPolarHBondContact O-CB 3.45Å; N173-R177 WeakPolarHBondContact O-CG 3.49Å; N173-R177 PolarHBondContact O-N 2.89Å
174	L	53.6	Low	46.6	Very low	15 Å²	15	66.3 Å²	66.3	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-47.7	174	-169.1	65.9	0	0	0	110.7	Y170 I171 E172 R177 V178 V284	Y170-L174 HydrophobicContact CE1-CB 4.38Å; Y170-L174 HydrophobicContact CE1-CD2 4.11Å; Y170-L174 WeakPolarHBondContact O-CB 3.35Å; Y170-L174 PolarHBondContact O-N 2.95Å; I171-L174 PolarHBondContact O-N 3.05Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-L174 PolarHBondContact O-N 2.85Å; L174-R177 PolarHBondContact O-N 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.47Å; L174-V178 PolarHBondContact O-N 2.9Å; L174-V284 HydrophobicContact CD1-CB 4.04Å; L174-V284 HydrophobicContact CD1-CG1 3.72Å; L174-V284 HydrophobicContact CD1-CG2 4.44Å; L174-V284 HydrophobicContact CD2-CB 4.46Å; L174-V284 HydrophobicContact CD2-CG2 4.05Å; L174-V284 HydrophobicContact CG-CB 4.44Å; L174-V284 HydrophobicContact CG-CG1 4.19Å; L174-V284 HydrophobicContact CG-CG2 4.31Å
175	C	52.4	Low	47.1	Very low	26 Å²	26	62.1 Å²	62.1	18%	0.176	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-42.1	174.4	-71.7	0	0	0	0	112.4	I171 E172 V178 N179	I171-C175 PolarHBondContact O-N 3.48Å; I171-C175 PolarHBondContact O-SG 3.17Å; E172-C175 PolarHBondContact O-N 3.16Å; C175-V178 PolarHBondContact O-N 3.36Å; C175-N179 WeakPolarHBondContact O-CB 3.46Å; C175-N179 PolarHBondContact O-N 3.12Å
176	R	56.5	Low	47.5	Very low	98 Å²	98	64.9 Å²	64.9	37%	0.37	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-43.6	172.5	-71.1	-178.8	-157.3	151.2	-7.4	111.6	E172 N173 V178 N179 N180	E172-R176 WeakPolarHBondContact O-CG 3.3Å; E172-R176 PolarHBondContact O-N 2.97Å; E172-R176 IonicContact OE1-CZ 3.34Å; E172-R176 VanDerWaalsContact OE1-CZ 3.26Å; E172-R176 IonicContact OE1-NE 2.79Å; E172-R176 PolarHBondContact OE1-NE 2.98Å; E172-R176 IonicContact OE1-NH2 2.66Å; E172-R176 PolarHBondContact OE1-NH2 3.42Å; E172-R176 IonicContact OE2-CZ 3.71Å; E172-R176 IonicContact OE2-NH2 2.79Å; E172-R176 PolarHBondContact OE2-NH2 3.39Å; E172-R176 VanDerWaalsContact OE2-NH2 3.16Å; N173-R176 PolarHBondContact O-N 3.16Å; N173-R176 PolarHBondContact OD1-NH1 2.94Å; R176-V178 PolarHBondContact O-N 3.05Å; R176-N179 PolarHBondContact O-N 3.43Å; R176-N180 VanDerWaalsContact O-CB 3.26Å; R176-N180 WeakPolarHBondContact O-CB 3.34Å; R176-N180 PolarHBondContact O-N 3.33Å; R176-N180 PolarHBondContact O-ND2 2.87Å; R176-N180 PolarHBondContact O-OD1 2.73Å
177	R	54.5	Low	47.1	Very low	149 Å²	149	63.1 Å²	63.1	56%	0.562	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-43.9	176.7	-81.6	178.6	67	-176.4	-1.2	111.8	N173 L174 V181	N173-R177 WeakPolarHBondContact O-CB 3.45Å; N173-R177 WeakPolarHBondContact O-CG 3.49Å; N173-R177 PolarHBondContact O-N 2.89Å; L174-R177 PolarHBondContact O-N 3.31Å; R177-V181 WeakPolarHBondContact O-CG2 3.32Å; R177-V181 PolarHBondContact O-N 3.03Å
178	V	53.6	Low	46.7	Very low	13 Å²	13	64.7 Å²	64.7	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-52.7	175.5	174.9	0	0	0	0	110.4	V94 L174 C175 R176 N180 V181 L182 V284 L288	V94-V178 HydrophobicContact CG2-CG1 3.75Å; L174-V178 WeakPolarHBondContact O-CG2 3.47Å; L174-V178 PolarHBondContact O-N 2.9Å; C175-V178 PolarHBondContact O-N 3.36Å; R176-V178 PolarHBondContact O-N 3.05Å; V178-N180 VanDerWaalsContact C-N 3.29Å; V178-N180 PolarHBondContact O-N 3.49Å; V178-V181 PolarHBondContact O-N 2.81Å; V178-V181 VanDerWaalsContact O-N 3.13Å; V178-L182 HydrophobicContact CG1-CD1 3.89Å; V178-L182 WeakPolarHBondContact O-CG 3.45Å; V178-L182 PolarHBondContact O-N 3.13Å; V178-L182 VanDerWaalsContact O-N 3.11Å; V178-V284 HydrophobicContact CG2-CG1 3.4Å; V178-V284 VanDerWaalsContact CG2-CG1 3.4Å; V178-L288 HydrophobicContact CG2-CD1 4.35Å; V178-L288 HydrophobicContact CG2-CD2 4.48Å
179	N	54.5	Low	46.4	Very low	80 Å²	80	69.3 Å²	69.3	43%	0.428	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-36.2	179.6	-74.8	-17.1	0	0	0	113	C175 R176 L182 S183	C175-N179 WeakPolarHBondContact O-CB 3.46Å; C175-N179 PolarHBondContact O-N 3.12Å; R176-N179 PolarHBondContact O-N 3.43Å; N179-L182 CarbonylContact O-C 3.5Å; N179-L182 PolarHBondContact O-N 3.43Å; N179-S183 WeakPolarHBondContact O-CB 3.49Å; N179-S183 PolarHBondContact O-N 3.17Å; N179-S183 PolarHBondContact O-OG 3.45Å
180	N	56.6	Low	45.7	Very low	98 Å²	98	68.6 Å²	68.6	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-67.8	-35	176.9	-73.4	-7	0	0	0	112.8	R176 V178 L182 S183 T184	R176-N180 VanDerWaalsContact O-CB 3.26Å; R176-N180 WeakPolarHBondContact O-CB 3.34Å; R176-N180 PolarHBondContact O-N 3.33Å; R176-N180 PolarHBondContact O-ND2 2.87Å; R176-N180 PolarHBondContact O-OD1 2.73Å; V178-N180 VanDerWaalsContact C-N 3.29Å; V178-N180 PolarHBondContact O-N 3.49Å; N180-L182 VanDerWaalsContact C-N 3.31Å; N180-S183 WeakPolarHBondContact CA-OG 3.22Å; N180-S183 PolarHBondContact O-OG 3.25Å; N180-T184 WeakPolarHBondContact O-CB 3.23Å; N180-T184 WeakPolarHBondContact O-CG2 3.26Å; N180-T184 PolarHBondContact O-N 3.04Å; N180-T184 VanDerWaalsContact O-N 3.1Å; N180-T184 PolarHBondContact O-OG1 3.27Å
181	V	49.2	Very low	44.9	Very low	33 Å²	33	72.3 Å²	72.3	20%	0.2	39%	0.392	C	S	.	.	H	α-helix	trans	-70	-30.8	172.8	174.6	0	0	0	0	111.3	R177 V178 T184 T185 L288 Y291	R177-V181 WeakPolarHBondContact O-CG2 3.32Å; R177-V181 PolarHBondContact O-N 3.03Å; V178-V181 PolarHBondContact O-N 2.81Å; V178-V181 VanDerWaalsContact O-N 3.13Å; V181-T184 PolarHBondContact O-OG1 3.32Å; V181-T185 PolarHBondContact O-OG1 3.48Å; V181-L288 HydrophobicContact CB-CD2 3.95Å; V181-L288 HydrophobicContact CG1-CD2 3.9Å; V181-L288 HydrophobicContact CG2-CD2 4.18Å; V181-Y291 HydrophobicContact CG1-CD1 4.16Å; V181-Y291 HydrophobicContact CG1-CE1 4.28Å
182	L	47.4	Very low	44.2	Very low	38 Å²	38	79 Å²	79	20%	0.199	43%	0.427	C	S	.	.	H	α-helix	trans	-82.6	-23.5	177.6	-60.9	173.5	0	0	0	113.7	I90 V94 V178 N179 N180 T185 Y291	I90-L182 HydrophobicContact CD1-CD2 4.35Å; I90-L182 HydrophobicContact CG2-CD1 3.44Å; I90-L182 VanDerWaalsContact CG2-CD1 3.44Å; I90-L182 HydrophobicContact CG2-CD2 3.72Å; I90-L182 HydrophobicContact CG2-CG 4.22Å; V94-L182 HydrophobicContact CG2-CD1 4.07Å; V178-L182 HydrophobicContact CG1-CD1 3.89Å; V178-L182 WeakPolarHBondContact O-CG 3.45Å; V178-L182 PolarHBondContact O-N 3.13Å; V178-L182 VanDerWaalsContact O-N 3.11Å; N179-L182 CarbonylContact O-C 3.5Å; N179-L182 PolarHBondContact O-N 3.43Å; N180-L182 VanDerWaalsContact C-N 3.31Å; L182-T185 PolarHBondContact O-OG1 2.83Å; L182-T185 VanDerWaalsContact O-OG1 3.11Å; L182-Y291 HydrophobicContact CD2-CE1 4.49Å
183	S	47.8	Very low	43.4	Very low	65 Å²	65	84.9 Å²	84.9	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-87.4	-35.9	177	64.9	0	0	0	0	112.5	N179 N180 T185 K186 G187	N179-S183 WeakPolarHBondContact O-CB 3.49Å; N179-S183 PolarHBondContact O-N 3.17Å; N179-S183 PolarHBondContact O-OG 3.45Å; N180-S183 WeakPolarHBondContact CA-OG 3.22Å; N180-S183 PolarHBondContact O-OG 3.25Å; S183-T185 PolarHBondContact O-N 2.95Å; S183-K186 WeakPolarHBondContact O-CB 3.27Å; S183-K186 PolarHBondContact O-N 3.2Å; S183-G187 PolarHBondContact O-N 3.19Å
184	T	44.6	Very low	42.1	Very low	94 Å²	94	87.3 Å²	87.3	58%	0.577	48%	0.477	S	S	*	.	H	α-helix	trans	-62.3	-31.3	175	43.2	0	0	0	0	112.6	N180 V181 G187 A188	N180-T184 WeakPolarHBondContact O-CB 3.23Å; N180-T184 WeakPolarHBondContact O-CG2 3.26Å; N180-T184 PolarHBondContact O-N 3.04Å; N180-T184 VanDerWaalsContact O-N 3.1Å; N180-T184 PolarHBondContact O-OG1 3.27Å; V181-T184 PolarHBondContact O-OG1 3.32Å; T184-G187 PolarHBondContact O-N 3.17Å; T184-A188 PolarHBondContact O-N 2.91Å; T184-A188 VanDerWaalsContact O-N 3.15Å
185	T	40.4	Very low	40.9	Very low	30 Å²	30	90.6 Å²	90.6	18%	0.184	51%	0.507	C	S	.	.	H	α-helix	trans	-74.4	-21.6	173.4	47.7	0	0	0	0	114.2	V181 L182 S183 Y291 L295	V181-T185 PolarHBondContact O-OG1 3.48Å; L182-T185 PolarHBondContact O-OG1 2.83Å; L182-T185 VanDerWaalsContact O-OG1 3.11Å; S183-T185 PolarHBondContact O-N 2.95Å; T185-Y291 HydrophobicContact CG2-CE1 3.98Å; T185-Y291 PolarHBondContact OG1-OH 2.63Å; T185-L295 HydrophobicContact CG2-CD1 3.8Å
186	K	35.5	Very low	40	Very low	130 Å²	130	98.5 Å²	98.5	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-70.7	-42.2	169.2	-72.6	-168.2	172	-169.6	0	111.7	S183 L189 T190	S183-K186 WeakPolarHBondContact O-CB 3.27Å; S183-K186 PolarHBondContact O-N 3.2Å; K186-L189 PolarHBondContact O-N 3.06Å; K186-T190 WeakPolarHBondContact O-CG2 3.42Å; K186-T190 PolarHBondContact O-OG1 3.28Å
187	G	30.7	Very low	38.6	Very low	23 Å²	23	97.4 Å²	97.4	24%	0.237	56%	0.56	C	S	.	*	H	α-helix	trans	-68.5	-35.8	177.3	0	0	0	0	0	114.1	S183 T184 L189 T190 N191	S183-G187 PolarHBondContact O-N 3.19Å; T184-G187 PolarHBondContact O-N 3.17Å; G187-L189 PolarHBondContact O-N 2.9Å; G187-T190 PolarHBondContact O-N 2.83Å; G187-T190 PolarHBondContact O-OG1 3.31Å; G187-N191 VanDerWaalsContact O-CB 3.29Å; G187-N191 WeakPolarHBondContact O-CB 3.37Å; G187-N191 PolarHBondContact O-N 2.98Å; G187-N191 PolarHBondContact O-ND2 3.13Å
188	A	32.1	Very low	37.2	Very low	79 Å²	79	96.2 Å²	96.2	65%	0.653	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-5.5	179.8	0	0	0	0	0	114.7	T184	T184-A188 PolarHBondContact O-N 2.91Å; T184-A188 VanDerWaalsContact O-N 3.15Å
189	L	31.8	Very low	36	Very low	155 Å²	155	102.3 Å²	102.3	81%	0.812	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	2.1	175.4	-70.5	170.4	0	0	0	112.9	K186 G187	K186-L189 PolarHBondContact O-N 3.06Å; G187-L189 PolarHBondContact O-N 2.9Å
190	T	31.7	Very low	34.5	Very low	103 Å²	103	107.4 Å²	107.4	63%	0.632	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	-1.8	-178.1	62	0	0	0	0	114.3	K186 G187	K186-T190 WeakPolarHBondContact O-CG2 3.42Å; K186-T190 PolarHBondContact O-OG1 3.28Å; G187-T190 PolarHBondContact O-N 2.83Å; G187-T190 PolarHBondContact O-OG1 3.31Å
191	N	27.5	Very low	33.1	Very low	120 Å²	120	110.7 Å²	110.7	64%	0.642	65%	0.65	S	S	*	*			trans	-119.3	68.7	-170.6	-64.6	-0.8	0	0	0	112.2	G187	G187-N191 VanDerWaalsContact O-CB 3.29Å; G187-N191 WeakPolarHBondContact O-CB 3.37Å; G187-N191 PolarHBondContact O-N 2.98Å; G187-N191 PolarHBondContact O-ND2 3.13Å
192	D	30.4	Very low	31.9	Very low	171 Å²	171	117.3 Å²	117.3	91%	0.914	68%	0.679	S	S	*	*			trans	-131.7	15.4	165.4	-106.1	-27.9	0	0	0	112.5
193	E	29	Very low	30.9	Very low	196 Å²	196	121.3 Å²	121.3	92%	0.916	71%	0.707	S	S	*	*	S	Bend	trans	-114.2	54.9	176.9	-70.3	-161.8	125.7	0	0	112.9
194	S	25.4	Very low	29.8	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	73%	0.729	S	S	*	*			trans	-157.5	50.2	170.9	72.5	0	0	0	0	115.9
195	A	28.3	Very low	28.9	Very low	85 Å²	85	125.1 Å²	125.1	70%	0.702	74%	0.736	S	S	*	*			trans	-152.8	123.5	166.5	0	0	0	0	0	114.4
196	H	31.8	Very low	28.3	Very low	192 Å²	192	132.6 Å²	132.6	89%	0.889	77%	0.771	S	S	*	*			trans	67	120.4	159.3	-58.1	-54.4	0	0	0	121.7
197	G	27.1	Very low	27.8	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	78%	0.778	S	S	*	*				102	85.5	109.4	0	0	0	0	0	117.3	T199	G197-T199 PolarHBondContact O-N 3.38Å
198	S	25.1	Very low	27.5	Very low	123 Å²	123	136.7 Å²	136.7	86%	0.86	81%	0.809	S	S	*	*			trans	-44.7	115.4	172.6	-42.9	0	0	0	0	115.6
199	T	28.8	Very low	27.3	Very low	142 Å²	142	138.7 Å²	138.7	87%	0.871	82%	0.815	S	S	*	*			trans	-153.3	138.5	138.2	-45.9	0	0	0	0	109.1	G197	G197-T199 PolarHBondContact O-N 3.38Å
200	Q	23.7	Very low	27	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	81%	0.813	S	S	*	*			trans	-77.1	136.4	-174.8	-64.3	167.7	-17.5	0	0	112.4
201	L	27	Very low	26.8	Very low	168 Å²	168	140 Å²	140	88%	0.88	83%	0.828	S	S	*	*			trans	-169.6	111.3	151.5	-103.1	159.4	0	0	0	110.1
202	E	23.6	Very low	26.8	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.804	83%	0.831	S	S	*	*			trans	24.2	107.1	160.5	-66.6	-63.6	120.3	0	0	120.4
203	P	25.9	Very low	26.5	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	83%	0.832	S	S	*	*			trans	-86.2	115	167.8	33.1	-30	0	0	0	112	S205	P203-S205 PolarHBondContact O-N 2.8Å
204	C	25.4	Very low	26.5	Very low	137 Å²	137	142 Å²	142	93%	0.926	83%	0.825	S	S	*	*			trans	-75.3	117	173.1	-154.5	0	0	0	0	110.5
205	S	24.8	Very low	26.4	Very low	103 Å²	103	142.1 Å²	142.1	72%	0.72	83%	0.825	S	S	*	*			trans	-84	133.2	-173.2	58.7	0	0	0	0	113.3	P203	P203-S205 PolarHBondContact O-N 2.8Å
206	M	28.3	Very low	26.5	Very low	187 Å²	187	143.9 Å²	143.9	92%	0.921	83%	0.83	S	S	*	*			trans	-139	91.7	157.5	-79.4	-61	-72.1	0	0	108.7
207	G	26.2	Very low	26.3	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79	155.8	-175.2	0	0	0	0	0	114.2
208	L	23.7	Very low	26.5	Very low	170 Å²	170	140.9 Å²	140.9	89%	0.89	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-65.9	128.3	161	-68.9	164.3	0	0	0	108.9	L210	L208-L210 PolarHBondContact O-N 2.68Å
209	P	28	Very low	26.7	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.5	118	174.7	-15.3	29.7	0	0	0	110.9
210	L	25.2	Very low	26.7	Very low	147 Å²	147	140.6 Å²	140.6	77%	0.77	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.8	150.8	-110.8	69.2	0	0	0	107.7	L208 D212	L208-L210 PolarHBondContact O-N 2.68Å; L210-D212 PolarHBondContact O-N 2.65Å
211	C	27.2	Very low	26.9	Very low	138 Å²	138	136 Å²	136	93%	0.932	80%	0.804	S	S	*	*			trans	-88.5	99.2	166.4	-109	0	0	0	0	109
212	D	27	Very low	27	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	80%	0.797	S	S	*	*			trans	-65.6	155.5	178.2	-88.6	-51.1	0	0	0	114.2	L210 I214	L210-D212 PolarHBondContact O-N 2.65Å; D212-I214 PolarHBondContact O-N 3Å
213	R	25.8	Very low	27.5	Very low	247 Å²	247	131.6 Å²	131.6	93%	0.932	79%	0.791	S	S	*	*			trans	-62.6	122.1	167.1	-65.8	170.6	169.5	179.4	-4.4	110.1
214	I	27.7	Very low	27.7	Very low	149 Å²	149	132.7 Å²	132.7	76%	0.764	79%	0.79	S	S	*	*			trans	-136.8	113.8	162.8	-56.2	-178.7	0	0	0	110.2	D212	D212-I214 PolarHBondContact O-N 3Å
215	S	24.8	Very low	28.2	Very low	119 Å²	119	131.3 Å²	131.3	83%	0.832	78%	0.782	S	S	*	*			trans	-95.6	139	160.2	-57.1	0	0	0	0	109.3
216	P	29.8	Very low	28.4	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	79%	0.787	S	S	*	*			trans	-104.8	152.2	154	3.1	17.8	0	0	0	110.9
217	A	26.9	Very low	28.4	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	78%	0.775	S	S	*	*			trans	-97	-171.2	-174.1	0	0	0	0	0	113.1
218	S	32.1	Very low	28.6	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	78%	0.777	S	S	*	*			trans	89.5	102.9	166.2	68.8	0	0	0	0	119.5
219	S	29.1	Very low	28.8	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	78%	0.775	S	S	*	*			trans	65.1	141	134.7	57.3	0	0	0	0	120
220	L	27.5	Very low	28.9	Very low	152 Å²	152	132.2 Å²	132.2	80%	0.796	78%	0.776	S	S	*	*			cis	-155.6	151.2	12.6	-154.1	79.5	0	0	0	109.2
221	S	30	Very low	28.9	Very low	91 Å²	91	134.1 Å²	134.1	64%	0.636	78%	0.781	S	S	*	*			trans	42.6	139.3	149.2	59.4	0	0	0	0	120.5
222	T	28.8	Very low	29.1	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	78%	0.777	S	S	*	*			cis	-178.9	173.1	6.2	22.5	0	0	0	0	105.9
223	D	33.3	Very low	29.2	Very low	127 Å²	127	135.1 Å²	135.1	68%	0.679	78%	0.78	S	S	*	*			cis	-138.7	164.5	-1	-77.3	-57.1	0	0	0	109
224	D	29.7	Very low	29.2	Very low	145 Å²	145	128 Å²	128	78%	0.775	77%	0.774	S	S	*	*			trans	15.8	144	139.8	-48.7	-24	0	0	0	121
225	S	36	Very low	29.2	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	78%	0.778	S	S	*	*			cis	-163.8	142.1	34.4	12.8	0	0	0	0	113.7
226	E	28.6	Very low	29.2	Very low	176 Å²	176	129.6 Å²	129.6	82%	0.822	78%	0.778	S	S	*	*				42.7	140	127	-82.4	-179.2	177.7	0	0	121.9
227	I	30.2	Very low	29.2	Very low	132 Å²	132	130.1 Å²	130.1	68%	0.677	78%	0.779	S	S	*	*			cis	-168	151.2	48.4	-120.4	144	0	0	0	113.1
228	L	30.2	Very low	29.2	Very low	144 Å²	144	131.3 Å²	131.3	75%	0.754	78%	0.782	S	S	*	*			trans	36.5	129.3	162.5	-77.3	77.3	0	0	0	121.8
229	V	26.5	Very low	29.2	Very low	140 Å²	140	130.7 Å²	130.7	85%	0.848	78%	0.783	S	S	*	*			cis	95.6	124.7	39.3	171	0	0	0	0	114.4
230	G	30.9	Very low	29.1	Very low	78 Å²	78	129.6 Å²	129.6	80%	0.804	79%	0.789	S	S	*	*			trans	169.8	87.2	171.5	0	0	0	0	0	112.7
231	Q	25.9	Very low	29.1	Very low	186 Å²	186	130.4 Å²	130.4	87%	0.869	79%	0.788	S	S	*	*			trans	-85.4	147.2	177	-63.7	169.1	-82.9	0	0	111.4
232	E	29.7	Very low	28.9	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	80%	0.796	S	S	*	*				179.1	128.3	112.7	-96.8	-178.5	178	0	0	114.9
233	S	28.9	Very low	29	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	80%	0.799	S	S	*	*			trans	51.9	87.3	135.7	-54.9	0	0	0	0	122.7
234	A	25.9	Very low	28.7	Very low	98 Å²	98	136.7 Å²	136.7	81%	0.81	80%	0.803	S	S	*	*				45.2	111.8	125	0	0	0	0	0	121.5
235	T	28.2	Very low	28.5	Very low	138 Å²	138	135.6 Å²	135.6	85%	0.847	81%	0.805	S	S	*	*			trans	-138.1	135.4	132.9	-46.6	0	0	0	0	109.9
236	I	24.9	Very low	28.3	Very low	163 Å²	163	135.9 Å²	135.9	84%	0.836	81%	0.805	S	S	*	*			trans	-85	119.3	-179	-62.7	166.2	0	0	0	110
237	T	30.5	Very low	28.4	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	80%	0.799	S	S	*	*			trans	-141.6	128.6	157.4	41.4	0	0	0	0	110.6
238	S	26.7	Very low	28.7	Very low	119 Å²	119	131 Å²	131	83%	0.832	80%	0.8	S	S	*	*			trans	-85.5	123.2	-174.2	54.8	0	0	0	0	112.8
239	A	30.9	Very low	29.2	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	79%	0.788	S	S	*	*			trans	-142.6	84.9	166	0	0	0	0	0	110.3	Q241	A239-Q241 PolarHBondContact O-N 2.8Å
240	G	27.5	Very low	30	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	76%	0.76	S	S	*	*			trans	-75.2	102.6	175.8	0	0	0	0	0	111.2	S242	G240-S242 PolarHBondContact O-N 3.4Å
241	Q	27.9	Very low	30.7	Very low	170 Å²	170	127.5 Å²	127.5	79%	0.794	76%	0.758	S	S	*	*			trans	-65.4	122	171.2	-83.1	-176	-18.1	0	0	110.5	A239 I243	A239-Q241 PolarHBondContact O-N 2.8Å; Q241-I243 PolarHBondContact O-N 3.13Å
242	S	26.7	Very low	31.9	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	74%	0.739	S	S	*	*			trans	-73.6	103.6	174.8	179.9	0	0	0	0	110.5	G240 R244	G240-S242 PolarHBondContact O-N 3.4Å; S242-R244 PolarHBondContact O-N 3.13Å
243	I	29.5	Very low	33.1	Very low	153 Å²	153	115.3 Å²	115.3	79%	0.785	71%	0.709	S	S	*	*			trans	-72.1	107.9	172.3	-59.8	177.1	0	0	0	108.4	Q241 C245	Q241-I243 PolarHBondContact O-N 3.13Å; I243-C245 PolarHBondContact O-N 2.91Å
244	R	27.8	Very low	34	Very low	202 Å²	202	115 Å²	115	76%	0.762	70%	0.696	S	S	*	*			trans	-84.4	98.2	-177.9	-151.6	179.4	-164.4	178.3	5.8	110.4	S242 C246	S242-R244 PolarHBondContact O-N 3.13Å; R244-C246 PolarHBondContact O-N 3.39Å
245	C	25.8	Very low	35.5	Very low	122 Å²	122	113.6 Å²	113.6	82%	0.824	68%	0.677	S	S	*	*			trans	-61.5	95	177.6	-65.2	0	0	0	0	112.1	I243 S247	I243-C245 PolarHBondContact O-N 2.91Å; C245-S247 PolarHBondContact O-N 3.48Å
246	C	31.5	Very low	36.7	Very low	112 Å²	112	110.5 Å²	110.5	76%	0.757	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-78.7	116.4	169	-66.4	0	0	0	0	109	R244	R244-C246 PolarHBondContact O-N 3.39Å
247	S	29.8	Very low	38	Very low	97 Å²	97	107.3 Å²	107.3	68%	0.678	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-61.1	126.6	169.9	52	0	0	0	0	109.5	C245 L249	C245-S247 PolarHBondContact O-N 3.48Å; S247-L249 PolarHBondContact O-N 3.21Å
248	P	37	Very low	39.1	Very low	108 Å²	108	108.4 Å²	108.4	70%	0.701	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-59.4	137	-179.7	23.3	-32.6	0	0	0	110.6	A250	P248-A250 PolarHBondContact O-N 2.83Å
249	L	39.9	Very low	40.6	Very low	98 Å²	98	108.9 Å²	108.9	51%	0.513	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-64	133.9	170.1	-79.4	138.7	0	0	0	108.2	S247 E251 I253	S247-L249 PolarHBondContact O-N 3.21Å; L249-E251 PolarHBondContact O-N 3.37Å; L249-I253 HydrophobicContact CD2-CB 4.27Å; L249-I253 HydrophobicContact CD2-CD1 4.23Å; L249-I253 HydrophobicContact CD2-CG2 3.79Å
250	A	44.9	Very low	41	Very low	32 Å²	32	106.2 Å²	106.2	26%	0.264	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-53.4	136.2	173.5	0	0	0	0	0	109.8	P248 S252 I253 Q254	P248-A250 PolarHBondContact O-N 2.83Å; A250-S252 PolarHBondContact O-N 3.12Å; A250-I253 WeakPolarHBondContact O-CA 3.47Å; A250-I253 WeakPolarHBondContact O-CB 3.39Å; A250-I253 PolarHBondContact O-N 3.5Å; A250-Q254 PolarHBondContact O-N 2.81Å
251	E	44.4	Very low	41.9	Very low	160 Å²	160	105.5 Å²	105.5	75%	0.748	59%	0.592	S	S	*	*	H	α-helix	trans	-50	-39.7	-174.4	-70.3	-174.2	134.8	0	0	112.2	L249 I253 Q254 T255	L249-E251 PolarHBondContact O-N 3.37Å; E251-I253 PolarHBondContact O-N 3.1Å; E251-Q254 CarbonylContact O-C 3.51Å; E251-Q254 WeakPolarHBondContact O-CA 3.16Å; E251-Q254 WeakPolarHBondContact O-CB 3.48Å; E251-Q254 PolarHBondContact O-N 2.9Å; E251-T255 PolarHBondContact O-N 3.38Å; E251-T255 PolarHBondContact O-OG1 3.24Å
252	S	51.5	Low	42.7	Very low	68 Å²	68	105.3 Å²	105.3	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-58.2	-14.2	176.3	75.4	0	0	0	0	116	A250 K256	A250-S252 PolarHBondContact O-N 3.12Å; S252-K256 WeakPolarHBondContact O-CD 3.26Å; S252-K256 VanDerWaalsContact O-CE 3.23Å; S252-K256 WeakPolarHBondContact O-CE 3.42Å; S252-K256 WeakPolarHBondContact O-CG 3.43Å
253	I	54.5	Low	43.3	Very low	45 Å²	45	108.2 Å²	108.2	23%	0.231	59%	0.586	C	S	.	*	H	α-helix	trans	-95.9	-40.2	170.6	-54.8	174.5	0	0	0	109.6	P63 L249 A250 E251 T255 K256 L257	P63-I253 HydrophobicContact CB-CD1 4.32Å; L249-I253 HydrophobicContact CD2-CB 4.27Å; L249-I253 HydrophobicContact CD2-CD1 4.23Å; L249-I253 HydrophobicContact CD2-CG2 3.79Å; A250-I253 WeakPolarHBondContact O-CA 3.47Å; A250-I253 WeakPolarHBondContact O-CB 3.39Å; A250-I253 PolarHBondContact O-N 3.5Å; E251-I253 PolarHBondContact O-N 3.1Å; I253-T255 PolarHBondContact O-N 2.72Å; I253-K256 CarbonylContact O-C 3.57Å; I253-K256 WeakPolarHBondContact O-CB 3.06Å; I253-K256 PolarHBondContact O-N 2.61Å; I253-K256 VanDerWaalsContact O-N 3.09Å; I253-L257 HydrophobicContact CG2-CD1 4.15Å; I253-L257 HydrophobicContact CG2-CG 4.44Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 2.91Å
254	Q	49.3	Very low	43.5	Very low	103 Å²	103	109.2 Å²	109.2	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-62	-42.2	176.6	-158.3	159.4	-8.6	0	0	111.8	A250 E251 K256 L257 Q258	A250-Q254 PolarHBondContact O-N 2.81Å; E251-Q254 CarbonylContact O-C 3.51Å; E251-Q254 WeakPolarHBondContact O-CA 3.16Å; E251-Q254 WeakPolarHBondContact O-CB 3.48Å; E251-Q254 PolarHBondContact O-N 2.9Å; Q254-K256 VanDerWaalsContact C-N 3.35Å; Q254-K256 PolarHBondContact O-N 2.87Å; Q254-L257 PolarHBondContact O-N 2.79Å; Q254-Q258 WeakPolarHBondContact O-CG 3.42Å; Q254-Q258 PolarHBondContact O-N 2.87Å
255	T	55.9	Low	43.6	Very low	67 Å²	67	107 Å²	107	41%	0.411	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-37.2	170.7	-31.7	0	0	0	0	112	E251 I253 L257 Q258 L259	E251-T255 PolarHBondContact O-N 3.38Å; E251-T255 PolarHBondContact O-OG1 3.24Å; I253-T255 PolarHBondContact O-N 2.72Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-Q258 PolarHBondContact O-N 2.81Å; T255-L259 HydrophobicContact CG2-CD1 3.93Å; T255-L259 HydrophobicContact CG2-CG 4.41Å; T255-L259 VanDerWaalsContact O-CB 3.31Å; T255-L259 WeakPolarHBondContact O-CB 3.29Å; T255-L259 VanDerWaalsContact O-CG 3.23Å; T255-L259 WeakPolarHBondContact O-CG 3.22Å; T255-L259 PolarHBondContact O-N 3.09Å
256	K	52.9	Low	43.9	Very low	73 Å²	73	107.9 Å²	107.9	32%	0.317	58%	0.578	S	S	.	*	H	α-helix	trans	-71	-28.8	176.8	-75.1	173.2	-167.7	156.9	0	113.2	S252 I253 Q254	S252-K256 WeakPolarHBondContact O-CD 3.26Å; S252-K256 VanDerWaalsContact O-CE 3.23Å; S252-K256 WeakPolarHBondContact O-CE 3.42Å; S252-K256 WeakPolarHBondContact O-CG 3.43Å; I253-K256 CarbonylContact O-C 3.57Å; I253-K256 WeakPolarHBondContact O-CB 3.06Å; I253-K256 PolarHBondContact O-N 2.61Å; I253-K256 VanDerWaalsContact O-N 3.09Å; Q254-K256 VanDerWaalsContact C-N 3.35Å; Q254-K256 PolarHBondContact O-N 2.87Å
257	L	53.1	Low	44.2	Very low	97 Å²	97	110 Å²	110	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-71.8	-39.1	171.9	-72	165.2	0	0	0	110.9	I253 Q254 T255	I253-L257 HydrophobicContact CG2-CD1 4.15Å; I253-L257 HydrophobicContact CG2-CG 4.44Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 2.91Å; Q254-L257 PolarHBondContact O-N 2.79Å; T255-L257 VanDerWaalsContact C-N 3.34Å
258	Q	54.5	Low	44.8	Very low	157 Å²	157	113.4 Å²	113.4	73%	0.734	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-34.5	175.4	-73.8	173.7	-27.4	0	0	113.4	Q254 T255 G260	Q254-Q258 WeakPolarHBondContact O-CG 3.42Å; Q254-Q258 PolarHBondContact O-N 2.87Å; T255-Q258 PolarHBondContact O-N 2.81Å; Q258-G260 PolarHBondContact O-N 2.97Å
259	L	56.8	Low	45.3	Very low	129 Å²	129	116.1 Å²	116.1	68%	0.675	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	9.1	-177.6	-75.3	169.4	0	0	0	115	T255 A261	T255-L259 HydrophobicContact CG2-CD1 3.93Å; T255-L259 HydrophobicContact CG2-CG 4.41Å; T255-L259 VanDerWaalsContact O-CB 3.31Å; T255-L259 WeakPolarHBondContact O-CB 3.29Å; T255-L259 VanDerWaalsContact O-CG 3.23Å; T255-L259 WeakPolarHBondContact O-CG 3.22Å; T255-L259 PolarHBondContact O-N 3.09Å; L259-A261 PolarHBondContact O-N 3.26Å
260	G	39.4	Very low	45.7	Very low	41 Å²	41	117.5 Å²	117.5	42%	0.423	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	63	6.6	179.8	0	0	0	0	0	115.2	Q258 Y262 E263	Q258-G260 PolarHBondContact O-N 2.97Å; G260-Y262 PolarHBondContact O-N 3.49Å; G260-E263 PolarHBondContact O-N 2.75Å; G260-E263 VanDerWaalsContact O-N 3.14Å
261	A	47.2	Very low	46.2	Very low	67 Å²	67	118.6 Å²	118.6	55%	0.554	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	8.7	-166.3	0	0	0	0	0	115.4	L259	L259-A261 PolarHBondContact O-N 3.26Å
262	Y	44.9	Very low	47.3	Very low	167 Å²	167	114.6 Å²	114.6	66%	0.655	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	4.7	175.4	-89.7	-79.7	0	0	0	114.1	G260 F264	G260-Y262 PolarHBondContact O-N 3.49Å; Y262-F264 PolarHBondContact O-N 3.26Å
263	E	37.8	Very low	48	Very low	174 Å²	174	115.5 Å²	115.5	81%	0.813	60%	0.596	S	S	*	*			trans	-74	-4.4	171.6	-65.7	-164.7	148.9	0	0	113.9	G260 F265	G260-E263 PolarHBondContact O-N 2.75Å; G260-E263 VanDerWaalsContact O-N 3.14Å; E263-F265 PolarHBondContact O-N 3.15Å
264	F	34.1	Very low	48.4	Very low	175 Å²	175	119 Å²	119	77%	0.768	61%	0.611	S	S	*	*			trans	-82.5	96	167.7	-107.8	-92.6	0	0	0	111.7	Y262 N266	Y262-F264 PolarHBondContact O-N 3.26Å; F264-N266 PolarHBondContact O-N 3.19Å
265	F	31.3	Very low	49.1	Very low	154 Å²	154	114.7 Å²	114.7	68%	0.675	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	26.9	-172.2	-127.6	-92.3	0	0	0	116.6	A118 E263	A118-F265 HydrophobicContact CB-CE1 4.39Å; E263-F265 PolarHBondContact O-N 3.15Å
266	N	31.4	Very low	49.8	Very low	142 Å²	142	114 Å²	114	76%	0.759	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	9.5	-168.1	-83.1	-29.9	0	0	0	116.1	F264	F264-N266 PolarHBondContact O-N 3.19Å
267	M	38.7	Very low	50.5	Low	156 Å²	156	114.4 Å²	114.4	77%	0.768	58%	0.584	S	S	*	*	S	Bend	trans	-103.7	-11.1	-178.9	-84.5	-110.5	62.5	0	0	115.6
268	L	42.1	Very low	51.2	Low	169 Å²	169	111.1 Å²	111.1	89%	0.885	57%	0.566	S	S	*	*	S	Bend	trans	-87.7	104.5	166.8	-75.1	166	0	0	0	108
269	R	46.7	Very low	51.9	Low	164 Å²	164	106.3 Å²	106.3	62%	0.619	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-59.6	129	167.7	-78.5	-174.4	177	168	-3	107.9	C271 D692	R269-C271 PolarHBondContact O-N 3.38Å; R269-C271 VanDerWaalsContact O-N 3.12Å; R269-D692 IonicContact CZ-OD2 3.99Å; R269-D692 IonicContact NH1-OD2 3.23Å; R269-D692 PolarHBondContact NH1-OD2 2.79Å
270	P	49.1	Very low	52.6	Low	127 Å²	127	101.3 Å²	101.3	83%	0.825	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-60.6	119	172.2	25.1	-32.2	0	0	0	108.5
271	C	55.5	Low	54.2	Low	55 Å²	55	101.5 Å²	101.5	37%	0.372	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-99.8	127	172.9	-171.9	0	0	0	0	106.8	R269 F276 H693	R269-C271 PolarHBondContact O-N 3.38Å; R269-C271 VanDerWaalsContact O-N 3.12Å; C271-F276 PolarHBondContact SG-N 2.88Å; C271-F276 VanDerWaalsContact SG-N 3.42Å; C271-H693 PolarHBondContact SG-CE1 2.88Å
272	T	66.3	Low	55.4	Low	76 Å²	76	98.7 Å²	98.7	47%	0.466	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-65.3	148.2	175.4	64.7	0	0	0	0	109.4	Q274 A275 F276	T272-Q274 PolarHBondContact O-N 3.28Å; T272-A275 PolarHBondContact O-N 3.46Å; T272-A275 WeakPolarHBondContact OG1-CB 3.48Å; T272-A275 PolarHBondContact OG1-N 3.49Å; T272-A275 VanDerWaalsContact OG1-N 3.1Å; T272-F276 PolarHBondContact O-N 3.24Å
273	P	66.5	Low	56.8	Low	88 Å²	88	94 Å²	94	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-53.6	-38	176.4	-28.2	35.9	0	0	0	112.3	F276 R277	P273-F276 PolarHBondContact O-N 2.83Å; P273-R277 VanDerWaalsContact O-CB 3.23Å; P273-R277 WeakPolarHBondContact O-CB 3.47Å; P273-R277 PolarHBondContact O-N 2.97Å
274	Q	62.9	Low	58.4	Low	118 Å²	118	86 Å²	86	55%	0.551	43%	0.427	S	S	*	.	H	α-helix	trans	-62.7	-44	174	-173.1	177.1	-3	0	0	113	T272 R277 F278	T272-Q274 PolarHBondContact O-N 3.28Å; Q274-R277 PolarHBondContact O-N 3.11Å; Q274-F278 VanDerWaalsContact O-CB 3.27Å; Q274-F278 WeakPolarHBondContact O-CB 3.48Å; Q274-F278 PolarHBondContact O-N 3.5Å
275	A	64.2	Low	60.3	Low	12 Å²	12	81.3 Å²	81.3	10%	0.099	41%	0.407	C	S	.	.	H	α-helix	trans	-69.4	-35.9	176.7	0	0	0	0	0	112.8	T272 Y279 H693	T272-A275 PolarHBondContact O-N 3.46Å; T272-A275 WeakPolarHBondContact OG1-CB 3.48Å; T272-A275 PolarHBondContact OG1-N 3.49Å; T272-A275 VanDerWaalsContact OG1-N 3.1Å; A275-Y279 WeakPolarHBondContact O-CB 3.45Å; A275-Y279 PolarHBondContact O-N 3.34Å; A275-H693 HydrophobicContact CB-CB 3.8Å; A275-H693 WeakPolarHBondContact CB-CD2 3.36Å
276	F	70	Confident	62.2	Low	54 Å²	54	75.3 Å²	75.3	24%	0.237	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-46.4	173.6	179.7	-88.5	0	0	0	111	L104 C271 T272 P273 Y279 M280	L104-F276 HydrophobicContact CD1-CD1 4.36Å; L104-F276 HydrophobicContact CD1-CE1 3.51Å; L104-F276 HydrophobicContact CD1-CZ 4.18Å; L104-F276 HydrophobicContact CD2-CD1 3.67Å; L104-F276 HydrophobicContact CD2-CE1 3.53Å; L104-F276 HydrophobicContact CD2-CZ 4.28Å; L104-F276 HydrophobicContact CG-CE1 4.06Å; C271-F276 PolarHBondContact SG-N 2.88Å; C271-F276 VanDerWaalsContact SG-N 3.42Å; T272-F276 PolarHBondContact O-N 3.24Å; P273-F276 PolarHBondContact O-N 2.83Å; F276-Y279 WeakPolarHBondContact O-CB 3.31Å; F276-Y279 PolarHBondContact O-N 3.3Å; F276-M280 HydrophobicContact CD1-CG 3.98Å; F276-M280 HydrophobicContact CE1-CG 3.33Å; F276-M280 HydrophobicContact CE1-SD 4.24Å; F276-M280 HydrophobicContact CE2-CG 4.15Å; F276-M280 HydrophobicContact CE2-SD 4.25Å; F276-M280 HydrophobicContact CZ-CG 3.44Å; F276-M280 VanDerWaalsContact CZ-CG 3.44Å; F276-M280 HydrophobicContact CZ-SD 3.73Å; F276-M280 WeakPolarHBondContact O-CG 3.4Å; F276-M280 PolarHBondContact O-N 2.91Å
277	R	69	Low	64.3	Low	81 Å²	81	71.3 Å²	71.3	31%	0.306	36%	0.363	S	S	.	.	H	α-helix	trans	-54.9	-55.5	173.8	175.8	176.5	173.7	164.7	3.3	110.4	D167 Y170 P273 Q274 Y279 M280 E281	D167-R277 IonicContact OD1-CZ 3Å; D167-R277 IonicContact OD1-NH1 2.76Å; D167-R277 PolarHBondContact OD1-NH1 3.42Å; D167-R277 IonicContact OD2-CZ 3.57Å; D167-R277 IonicContact OD2-NH1 3.48Å; D167-R277 PolarHBondContact OD2-NH1 2.98Å; Y170-R277 VanDerWaalsContact CD2-NH2 3.26Å; Y170-R277 HydrophobicContact CE1-CG 4.44Å; P273-R277 VanDerWaalsContact O-CB 3.23Å; P273-R277 WeakPolarHBondContact O-CB 3.47Å; P273-R277 PolarHBondContact O-N 2.97Å; Q274-R277 PolarHBondContact O-N 3.11Å; R277-Y279 VanDerWaalsContact C-N 3.3Å; R277-Y279 PolarHBondContact O-N 3.48Å; R277-M280 CarbonylContact O-C 3.56Å; R277-M280 WeakPolarHBondContact O-CA 3.45Å; R277-M280 PolarHBondContact O-N 3.49Å; R277-E281 HydrophobicContact CG-CG 4.03Å; R277-E281 VanDerWaalsContact CG-OE1 3.26Å; R277-E281 WeakPolarHBondContact CG-OE1 3.45Å; R277-E281 IonicContact CZ-OE1 2.81Å; R277-E281 IonicContact NE-OE1 2.75Å; R277-E281 PolarHBondContact NE-OE1 3.03Å; R277-E281 IonicContact NH2-OE1 3.92Å; R277-E281 WeakPolarHBondContact O-CG 3.39Å; R277-E281 PolarHBondContact O-N 2.84Å
278	F	66.9	Low	66.1	Low	28 Å²	28	64.8 Å²	64.8	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-49.7	-48	175.8	173.5	-97.5	0	0	0	112.7	Q274 M280 E281 Q282 W492 Y499	Q274-F278 VanDerWaalsContact O-CB 3.27Å; Q274-F278 WeakPolarHBondContact O-CB 3.48Å; Q274-F278 PolarHBondContact O-N 3.5Å; F278-M280 PolarHBondContact O-N 2.83Å; F278-E281 PolarHBondContact O-N 2.84Å; F278-Q282 WeakPolarHBondContact O-CB 3.42Å; F278-Q282 PolarHBondContact O-N 3.3Å; F278-Q282 VanDerWaalsContact O-N 3.11Å; F278-W492 AromaticContact CD2-CH2 3.73Å; F278-W492 HydrophobicContact CD2-CH2 3.73Å; F278-W492 AromaticContact CD2-CZ3 3.63Å; F278-W492 HydrophobicContact CD2-CZ3 3.63Å; F278-W492 AromaticContact CE2-CH2 3.83Å; F278-W492 HydrophobicContact CE2-CH2 3.83Å; F278-W492 AromaticContact CE2-CZ3 3.63Å; F278-W492 HydrophobicContact CE2-CZ3 3.63Å; F278-Y499 HydrophobicContact CE2-CE1 4.41Å; F278-Y499 AromaticContact CZ-CE1 3.92Å; F278-Y499 HydrophobicContact CZ-CE1 3.92Å
279	Y	69.4	Low	67.7	Low	55 Å²	55	59.9 Å²	59.9	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-47.7	175.4	166.1	-117.6	0	0	0	111.8	A275 F276 R277 H283 Y696	A275-Y279 WeakPolarHBondContact O-CB 3.45Å; A275-Y279 PolarHBondContact O-N 3.34Å; F276-Y279 WeakPolarHBondContact O-CB 3.31Å; F276-Y279 PolarHBondContact O-N 3.3Å; R277-Y279 VanDerWaalsContact C-N 3.3Å; R277-Y279 PolarHBondContact O-N 3.48Å; Y279-H283 HydrophobicContact CD2-CB 4.35Å; Y279-H283 HydrophobicContact CE2-CB 3.96Å; Y279-H283 WeakPolarHBondContact O-CB 3.37Å; Y279-H283 PolarHBondContact O-N 3.2Å; Y279-Y696 AromaticContact CD2-CD1 3.22Å; Y279-Y696 HydrophobicContact CD2-CD1 3.22Å; Y279-Y696 HydrophobicContact CD2-CD2 4.34Å; Y279-Y696 AromaticContact CD2-CE1 3.24Å; Y279-Y696 HydrophobicContact CD2-CE1 3.24Å; Y279-Y696 HydrophobicContact CD2-CE2 4.34Å; Y279-Y696 AromaticContact CD2-CG 3.8Å; Y279-Y696 HydrophobicContact CD2-CG 3.8Å; Y279-Y696 AromaticContact CD2-CZ 3.8Å; Y279-Y696 AromaticContact CE2-CD1 3.44Å; Y279-Y696 HydrophobicContact CE2-CD1 3.44Å; Y279-Y696 VanDerWaalsContact CE2-CD1 3.44Å; Y279-Y696 AromaticContact CE2-CE1 3.04Å; Y279-Y696 HydrophobicContact CE2-CE1 3.04Å; Y279-Y696 HydrophobicContact CE2-CG 4.42Å; Y279-Y696 AromaticContact CE2-CZ 3.76Å; Y279-Y696 HydrophobicContact CG-CD1 4.18Å; Y279-Y696 HydrophobicContact CG-CE1 4.08Å; Y279-Y696 HydrophobicContact CG-CE2 4.48Å; Y279-Y696 HydrophobicContact CG-CG 4.42Å; Y279-Y696 AromaticContact CZ-CE1 3.75Å
280	M	72.1	Confident	69.2	Low	24 Å²	24	53.3 Å²	53.3	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-40.4	-179.2	-66.4	-58	-66.8	0	0	113	L97 F276 R277 F278 Q282 V284	L97-M280 HydrophobicContact CD2-CE 3.27Å; F276-M280 HydrophobicContact CD1-CG 3.98Å; F276-M280 HydrophobicContact CE1-CG 3.33Å; F276-M280 HydrophobicContact CE1-SD 4.24Å; F276-M280 HydrophobicContact CE2-CG 4.15Å; F276-M280 HydrophobicContact CE2-SD 4.25Å; F276-M280 HydrophobicContact CZ-CG 3.44Å; F276-M280 VanDerWaalsContact CZ-CG 3.44Å; F276-M280 HydrophobicContact CZ-SD 3.73Å; F276-M280 WeakPolarHBondContact O-CG 3.4Å; F276-M280 PolarHBondContact O-N 2.91Å; R277-M280 CarbonylContact O-C 3.56Å; R277-M280 WeakPolarHBondContact O-CA 3.45Å; R277-M280 PolarHBondContact O-N 3.49Å; F278-M280 PolarHBondContact O-N 2.83Å; M280-Q282 PolarHBondContact O-N 2.93Å; M280-V284 WeakPolarHBondContact O-CB 3.39Å; M280-V284 WeakPolarHBondContact O-CG2 3.5Å; M280-V284 PolarHBondContact O-N 3.34Å
281	E	73	Confident	70.5	Confident	46 Å²	46	49.5 Å²	49.5	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-53	176.3	-43.3	-140.4	178.7	0	0	109.7	Y170 R277 F278 V284 E285	Y170-E281 HydrophobicContact CE1-CG 4.11Å; Y170-E281 WeakPolarHBondContact CE2-OE1 3.16Å; Y170-E281 WeakPolarHBondContact CE2-OE2 3.5Å; Y170-E281 WeakPolarHBondContact OH-CB 3.12Å; Y170-E281 WeakPolarHBondContact OH-CG 3.38Å; Y170-E281 PolarHBondContact OH-OE1 2.94Å; Y170-E281 PolarHBondContact OH-OE2 3.37Å; R277-E281 HydrophobicContact CG-CG 4.03Å; R277-E281 VanDerWaalsContact CG-OE1 3.26Å; R277-E281 WeakPolarHBondContact CG-OE1 3.45Å; R277-E281 IonicContact CZ-OE1 2.81Å; R277-E281 IonicContact NE-OE1 2.75Å; R277-E281 PolarHBondContact NE-OE1 3.03Å; R277-E281 IonicContact NH2-OE1 3.92Å; R277-E281 WeakPolarHBondContact O-CG 3.39Å; R277-E281 PolarHBondContact O-N 2.84Å; F278-E281 PolarHBondContact O-N 2.84Å; E281-V284 PolarHBondContact O-N 2.88Å; E281-E285 WeakPolarHBondContact O-CB 3.32Å; E281-E285 PolarHBondContact O-N 2.63Å
282	Q	70.8	Confident	71.7	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-41.9	-175.9	-172.7	77.7	75.9	0	0	111.8	F278 M280 V284 E285 N286 T493 E697	F278-Q282 WeakPolarHBondContact O-CB 3.42Å; F278-Q282 PolarHBondContact O-N 3.3Å; F278-Q282 VanDerWaalsContact O-N 3.11Å; M280-Q282 PolarHBondContact O-N 2.93Å; Q282-V284 PolarHBondContact O-N 3.11Å; Q282-E285 PolarHBondContact O-N 3.33Å; Q282-N286 WeakPolarHBondContact O-CB 3.47Å; Q282-N286 PolarHBondContact O-N 3.45Å; Q282-T493 VanDerWaalsContact OE1-CG2 3.23Å; Q282-E697 WeakPolarHBondContact CG-OE2 3.38Å
283	H	74.1	Confident	72.5	Confident	67 Å²	67	51.9 Å²	51.9	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-45.8	178.2	-177.7	62.7	0	0	0	111.3	Y279 N286 V287 E697	Y279-H283 HydrophobicContact CD2-CB 4.35Å; Y279-H283 HydrophobicContact CE2-CB 3.96Å; Y279-H283 WeakPolarHBondContact O-CB 3.37Å; Y279-H283 PolarHBondContact O-N 3.2Å; H283-N286 PolarHBondContact O-N 3.2Å; H283-V287 VanDerWaalsContact O-CG2 3.31Å; H283-V287 WeakPolarHBondContact O-CG2 3.34Å; H283-V287 PolarHBondContact O-N 3.1Å; H283-E697 IonicContact ND1-OE1 2.69Å
284	V	72.1	Confident	73.3	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-42.6	176.3	170.2	0	0	0	0	111	L97 L174 V178 M280 E281 Q282 N286 V287 L288	L97-V284 HydrophobicContact CD1-CG2 4.38Å; L97-V284 HydrophobicContact CD2-CG2 4.46Å; L174-V284 HydrophobicContact CD1-CB 4.04Å; L174-V284 HydrophobicContact CD1-CG1 3.72Å; L174-V284 HydrophobicContact CD1-CG2 4.44Å; L174-V284 HydrophobicContact CD2-CB 4.46Å; L174-V284 HydrophobicContact CD2-CG2 4.05Å; L174-V284 HydrophobicContact CG-CB 4.44Å; L174-V284 HydrophobicContact CG-CG1 4.19Å; L174-V284 HydrophobicContact CG-CG2 4.31Å; V178-V284 HydrophobicContact CG2-CG1 3.4Å; V178-V284 VanDerWaalsContact CG2-CG1 3.4Å; M280-V284 WeakPolarHBondContact O-CB 3.39Å; M280-V284 WeakPolarHBondContact O-CG2 3.5Å; M280-V284 PolarHBondContact O-N 3.34Å; E281-V284 PolarHBondContact O-N 2.88Å; Q282-V284 PolarHBondContact O-N 3.11Å; V284-N286 VanDerWaalsContact C-N 3.32Å; V284-N286 PolarHBondContact O-N 2.99Å; V284-V287 PolarHBondContact O-N 3.44Å; V284-L288 HydrophobicContact CG1-CD1 3.87Å; V284-L288 HydrophobicContact CG1-CG 4.29Å; V284-L288 WeakPolarHBondContact O-CB 3.38Å; V284-L288 VanDerWaalsContact O-CG 3.25Å; V284-L288 WeakPolarHBondContact O-CG 3.34Å; V284-L288 PolarHBondContact O-N 2.76Å
285	E	73.3	Confident	74.4	Confident	77 Å²	77	46.8 Å²	46.8	36%	0.36	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-44	174.9	-177.6	167.5	-150.4	0	0	111.9	E281 Q282 L288 K289	E281-E285 WeakPolarHBondContact O-CB 3.32Å; E281-E285 PolarHBondContact O-N 2.63Å; Q282-E285 PolarHBondContact O-N 3.33Å; E285-L288 PolarHBondContact O-N 2.8Å; E285-K289 WeakPolarHBondContact O-CB 3.45Å; E285-K289 PolarHBondContact O-N 2.92Å
286	N	72.2	Confident	75.5	Confident	27 Å²	27	51 Å²	51	14%	0.144	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.5	-86.8	-4	0	0	0	113.3	Q282 H283 V284 L288 K289 M290 E697	Q282-N286 WeakPolarHBondContact O-CB 3.47Å; Q282-N286 PolarHBondContact O-N 3.45Å; H283-N286 PolarHBondContact O-N 3.2Å; V284-N286 VanDerWaalsContact C-N 3.32Å; V284-N286 PolarHBondContact O-N 2.99Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 2.93Å; N286-K289 PolarHBondContact O-N 3.29Å; N286-M290 WeakPolarHBondContact O-CB 3.24Å; N286-M290 VanDerWaalsContact O-CG 3.31Å; N286-M290 WeakPolarHBondContact O-CG 3.5Å; N286-M290 PolarHBondContact O-N 2.63Å; N286-E697 PolarHBondContact ND2-OE1 3.08Å; N286-E697 PolarHBondContact ND2-OE2 3.39Å
287	V	75	Confident	76.4	Confident	58 Å²	58	50.1 Å²	50.1	35%	0.352	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-43.6	175.7	168.7	0	0	0	0	110.2	H283 V284 M290 Y291	H283-V287 VanDerWaalsContact O-CG2 3.31Å; H283-V287 WeakPolarHBondContact O-CG2 3.34Å; H283-V287 PolarHBondContact O-N 3.1Å; V284-V287 PolarHBondContact O-N 3.44Å; V287-M290 PolarHBondContact O-N 2.76Å; V287-Y291 WeakPolarHBondContact O-CB 2.81Å; V287-Y291 PolarHBondContact O-N 3.47Å
288	L	75.7	Confident	77.2	Confident	19 Å²	19	51.1 Å²	51.1	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-41.7	175.9	-66.7	173.9	0	0	0	112.5	V178 V181 V284 E285 N286 Y291 K292	V178-L288 HydrophobicContact CG2-CD1 4.35Å; V178-L288 HydrophobicContact CG2-CD2 4.48Å; V181-L288 HydrophobicContact CB-CD2 3.95Å; V181-L288 HydrophobicContact CG1-CD2 3.9Å; V181-L288 HydrophobicContact CG2-CD2 4.18Å; V284-L288 HydrophobicContact CG1-CD1 3.87Å; V284-L288 HydrophobicContact CG1-CG 4.29Å; V284-L288 WeakPolarHBondContact O-CB 3.38Å; V284-L288 VanDerWaalsContact O-CG 3.25Å; V284-L288 WeakPolarHBondContact O-CG 3.34Å; V284-L288 PolarHBondContact O-N 2.76Å; E285-L288 PolarHBondContact O-N 2.8Å; N286-L288 VanDerWaalsContact C-N 3.32Å; N286-L288 PolarHBondContact O-N 2.93Å; L288-Y291 PolarHBondContact O-N 3.49Å; L288-K292 WeakPolarHBondContact O-CG 3.27Å; L288-K292 PolarHBondContact O-N 3.09Å
289	K	77.2	Confident	78.3	Confident	66 Å²	66	55.4 Å²	55.4	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-50.4	174.4	179.1	179.4	172.9	-174.1	0	110.5	E285 N286 Y291 K292 E293 E396	E285-K289 WeakPolarHBondContact O-CB 3.45Å; E285-K289 PolarHBondContact O-N 2.92Å; N286-K289 PolarHBondContact O-N 3.29Å; K289-Y291 PolarHBondContact O-N 3.21Å; K289-K292 PolarHBondContact O-N 2.94Å; K289-E293 WeakPolarHBondContact CE-OE1 3.04Å; K289-E293 WeakPolarHBondContact O-CG 3.26Å; K289-E293 PolarHBondContact O-N 2.92Å; K289-E396 IonicContact NZ-OE1 3.71Å; K289-E396 PolarHBondContact NZ-OE1 3.13Å
290	M	77.4	Confident	79.2	Confident	27 Å²	27	56.4 Å²	56.4	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-41.6	177.2	-75.9	-169.4	64.8	0	0	112.8	N286 V287 E293 R294 Y329 L330 R333	N286-M290 WeakPolarHBondContact O-CB 3.24Å; N286-M290 VanDerWaalsContact O-CG 3.31Å; N286-M290 WeakPolarHBondContact O-CG 3.5Å; N286-M290 PolarHBondContact O-N 2.63Å; V287-M290 PolarHBondContact O-N 2.76Å; M290-E293 PolarHBondContact O-N 3.23Å; M290-R294 WeakPolarHBondContact O-CG 3.39Å; M290-R294 PolarHBondContact O-N 3.07Å; M290-Y329 HydrophobicContact CE-CE1 3.86Å; M290-L330 HydrophobicContact CE-CD2 4.3Å; M290-R333 PolarHBondContact SD-NH1 3.26Å; M290-R333 PolarHBondContact SD-NH2 3.06Å
291	Y	77.6	Confident	79.9	Confident	47 Å²	47	56.4 Å²	56.4	18%	0.184	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-46.6	176.5	178.4	-106.9	0	0	0	111.5	I90 V181 L182 T185 V287 L288 K289 E293 R294 L295	I90-Y291 HydrophobicContact CD1-CD2 4.27Å; I90-Y291 HydrophobicContact CD1-CE2 4.11Å; V181-Y291 HydrophobicContact CG1-CD1 4.16Å; V181-Y291 HydrophobicContact CG1-CE1 4.28Å; L182-Y291 HydrophobicContact CD2-CE1 4.49Å; T185-Y291 HydrophobicContact CG2-CE1 3.98Å; T185-Y291 PolarHBondContact OG1-OH 2.63Å; V287-Y291 WeakPolarHBondContact O-CB 2.81Å; V287-Y291 PolarHBondContact O-N 3.47Å; L288-Y291 PolarHBondContact O-N 3.49Å; K289-Y291 PolarHBondContact O-N 3.21Å; Y291-E293 PolarHBondContact O-N 2.93Å; Y291-R294 PolarHBondContact O-N 3.41Å; Y291-L295 HydrophobicContact CD1-CD1 4.04Å; Y291-L295 HydrophobicContact CE1-CD1 3.5Å; Y291-L295 HydrophobicContact CE1-CG 4.36Å; Y291-L295 HydrophobicContact CE2-CD1 4.42Å; Y291-L295 HydrophobicContact CE2-CG 4.5Å; Y291-L295 PolarHBondContact O-N 3.13Å
292	K	80.6	Confident	80.7	Confident	120 Å²	120	57 Å²	57	52%	0.522	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-44.8	173.8	-71.2	176.5	179.3	-174.5	0	112.4	L288 K289 R294 L295 N296	L288-K292 WeakPolarHBondContact O-CG 3.27Å; L288-K292 PolarHBondContact O-N 3.09Å; K289-K292 PolarHBondContact O-N 2.94Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.43Å; K292-L295 PolarHBondContact O-N 3.07Å; K292-N296 WeakPolarHBondContact O-CB 3.09Å; K292-N296 PolarHBondContact O-N 2.87Å; K292-N296 PolarHBondContact O-OD1 2.79Å
293	E	82.3	Confident	81.5	Confident	61 Å²	61	62 Å²	62	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-38.4	177.2	-75.6	176.5	-164.4	0	0	112.9	K289 M290 Y291 N296 R297	K289-E293 WeakPolarHBondContact CE-OE1 3.04Å; K289-E293 WeakPolarHBondContact O-CG 3.26Å; K289-E293 PolarHBondContact O-N 2.92Å; M290-E293 PolarHBondContact O-N 3.23Å; Y291-E293 PolarHBondContact O-N 2.93Å; E293-N296 PolarHBondContact O-N 2.93Å; E293-R297 WeakPolarHBondContact O-CG 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å; E293-R297 IonicContact OE2-NH1 2.78Å
294	R	84.1	Confident	82.2	Confident	58 Å²	58	61.2 Å²	61.2	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-46.3	177.2	-68.9	173.9	79.9	-154.7	-0.4	111.4	E86 M290 Y291 K292 N296 R297 Q298 E326	E86-R294 IonicContact OE1-CZ 2.75Å; E86-R294 IonicContact OE1-NH1 3.25Å; E86-R294 PolarHBondContact OE1-NH1 3.02Å; E86-R294 IonicContact OE1-NH2 3.74Å; E86-R294 PolarHBondContact OE1-NH2 2.97Å; M290-R294 WeakPolarHBondContact O-CG 3.39Å; M290-R294 PolarHBondContact O-N 3.07Å; Y291-R294 PolarHBondContact O-N 3.41Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.43Å; R294-N296 VanDerWaalsContact C-N 3.35Å; R294-N296 PolarHBondContact O-N 2.67Å; R294-R297 VanDerWaalsContact CG-NH2 3.32Å; R294-R297 PolarHBondContact O-N 3.14Å; R294-Q298 PolarHBondContact O-N 3.42Å; R294-E326 WeakPolarHBondContact CD-OE2 3.42Å; R294-E326 VanDerWaalsContact CG-OE2 3.29Å; R294-E326 WeakPolarHBondContact CG-OE2 3.33Å; R294-E326 IonicContact CZ-OE2 3.77Å; R294-E326 IonicContact NE-OE2 3.85Å; R294-E326 PolarHBondContact NE-OE2 2.9Å
295	L	86	Confident	83	Confident	40 Å²	40	61 Å²	61	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-44.5	173.2	-70	177.6	0	0	0	111.6	T185 Y291 K292 R297 Q298 M299	T185-L295 HydrophobicContact CG2-CD1 3.8Å; Y291-L295 HydrophobicContact CD1-CD1 4.04Å; Y291-L295 HydrophobicContact CE1-CD1 3.5Å; Y291-L295 HydrophobicContact CE1-CG 4.36Å; Y291-L295 HydrophobicContact CE2-CD1 4.42Å; Y291-L295 HydrophobicContact CE2-CG 4.5Å; Y291-L295 PolarHBondContact O-N 3.13Å; K292-L295 PolarHBondContact O-N 3.07Å; L295-R297 VanDerWaalsContact C-N 3.35Å; L295-R297 PolarHBondContact O-N 2.83Å; L295-Q298 WeakPolarHBondContact O-CB 3.35Å; L295-Q298 PolarHBondContact O-N 2.83Å; L295-M299 WeakPolarHBondContact O-CB 3.49Å; L295-M299 WeakPolarHBondContact O-CG 3.44Å; L295-M299 PolarHBondContact O-N 2.95Å
296	N	87.3	Confident	83.7	Confident	101 Å²	101	60.9 Å²	60.9	54%	0.54	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-42.1	177.4	-71.5	-8.6	0	0	0	111.8	K292 E293 R294 Q300	K292-N296 WeakPolarHBondContact O-CB 3.09Å; K292-N296 PolarHBondContact O-N 2.87Å; K292-N296 PolarHBondContact O-OD1 2.79Å; E293-N296 PolarHBondContact O-N 2.93Å; R294-N296 VanDerWaalsContact C-N 3.35Å; R294-N296 PolarHBondContact O-N 2.67Å; N296-Q300 WeakPolarHBondContact O-CB 2.92Å; N296-Q300 PolarHBondContact O-N 2.8Å
297	R	88.7	Confident	84.5	Confident	36 Å²	36	67.2 Å²	67.2	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-39.4	174.6	-76	-171.8	-66.8	-90.3	3	112.3	E293 R294 L295 L301 L322 E326 F704	E293-R297 WeakPolarHBondContact O-CG 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å; E293-R297 IonicContact OE2-NH1 2.78Å; R294-R297 VanDerWaalsContact CG-NH2 3.32Å; R294-R297 PolarHBondContact O-N 3.14Å; L295-R297 VanDerWaalsContact C-N 3.35Å; L295-R297 PolarHBondContact O-N 2.83Å; R297-L301 WeakPolarHBondContact O-CB 3.39Å; R297-L301 PolarHBondContact O-N 3.43Å; R297-L322 HydrophobicContact CB-CD1 4.46Å; R297-E326 IonicContact CZ-OE1 3.86Å; R297-E326 VanDerWaalsContact CZ-OE1 3.23Å; R297-E326 IonicContact NE-OE1 2.74Å; R297-E326 PolarHBondContact NE-OE1 3.35Å; R297-E326 IonicContact NH2-OE1 2.67Å; R297-E326 PolarHBondContact NH2-OE1 2.84Å; R297-E326 IonicContact NH2-OE2 3.43Å; R297-F704 HydrophobicContact CG-CZ 4.46Å
298	Q	85.7	Confident	85.1	Confident	102 Å²	102	66.7 Å²	66.7	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-54.1	174.9	-175.7	179.4	-7.7	0	0	111.4	R294 L295 Q300 L301 E302 L322	R294-Q298 PolarHBondContact O-N 3.42Å; L295-Q298 WeakPolarHBondContact O-CB 3.35Å; L295-Q298 PolarHBondContact O-N 2.83Å; Q298-Q300 VanDerWaalsContact C-N 3.29Å; Q298-Q300 PolarHBondContact O-N 3Å; Q298-L301 PolarHBondContact O-N 2.88Å; Q298-L301 VanDerWaalsContact O-N 3.09Å; Q298-E302 WeakPolarHBondContact O-CG 3.35Å; Q298-E302 PolarHBondContact O-N 3.33Å; Q298-L322 HydrophobicContact CB-CD2 4.25Å
299	M	88.7	Confident	85.6	Confident	118 Å²	118	72.7 Å²	72.7	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-58.7	-39.5	177.9	-70.2	178	176.3	0	0	112.4	L295 E302 K303	L295-M299 WeakPolarHBondContact O-CB 3.49Å; L295-M299 WeakPolarHBondContact O-CG 3.44Å; L295-M299 PolarHBondContact O-N 2.95Å; M299-E302 PolarHBondContact O-N 3.44Å; M299-K303 VanDerWaalsContact O-CB 3.32Å; M299-K303 WeakPolarHBondContact O-CB 3.44Å; M299-K303 PolarHBondContact O-N 3.4Å
300	Q	88.7	Confident	85.9	Confident	76 Å²	76	73.1 Å²	73.1	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-41.1	175.9	-179.2	56.5	30.9	0	0	111.4	L29 N296 Q298 K303 E304	L29-Q300 HydrophobicContact CD1-CG 4.37Å; N296-Q300 WeakPolarHBondContact O-CB 2.92Å; N296-Q300 PolarHBondContact O-N 2.8Å; Q298-Q300 VanDerWaalsContact C-N 3.29Å; Q298-Q300 PolarHBondContact O-N 3Å; Q300-K303 PolarHBondContact O-N 3.16Å; Q300-E304 VanDerWaalsContact NE2-CG 3.33Å; Q300-E304 PolarHBondContact NE2-OE1 2.87Å; Q300-E304 WeakPolarHBondContact O-CG 3.48Å; Q300-E304 PolarHBondContact O-N 3.46Å
301	L	88.4	Confident	86.4	Confident	23 Å²	23	76 Å²	76	12%	0.12	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-47.3	174.8	-177.1	63.3	0	0	0	111.7	R297 Q298 K303 E304 M305 M318 L322	R297-L301 WeakPolarHBondContact O-CB 3.39Å; R297-L301 PolarHBondContact O-N 3.43Å; Q298-L301 PolarHBondContact O-N 2.88Å; Q298-L301 VanDerWaalsContact O-N 3.09Å; L301-K303 VanDerWaalsContact C-N 3.28Å; L301-K303 PolarHBondContact O-N 2.81Å; L301-E304 PolarHBondContact O-N 2.76Å; L301-M305 HydrophobicContact CD1-CG 4.21Å; L301-M305 HydrophobicContact CD1-SD 4.4Å; L301-M305 HydrophobicContact CG-CE 4.02Å; L301-M305 HydrophobicContact CG-CG 4.32Å; L301-M305 HydrophobicContact CG-SD 4.11Å; L301-M305 WeakPolarHBondContact O-CB 3.31Å; L301-M305 VanDerWaalsContact O-CG 3.27Å; L301-M305 WeakPolarHBondContact O-CG 3.39Å; L301-M305 PolarHBondContact O-N 2.99Å; L301-M318 HydrophobicContact CD1-CB 4.43Å; L301-M318 HydrophobicContact CD2-CB 4.39Å; L301-L322 HydrophobicContact CB-CD2 4.26Å; L301-L322 HydrophobicContact CD2-CB 3.76Å; L301-L322 HydrophobicContact CD2-CD2 3.72Å; L301-L322 HydrophobicContact CD2-CG 4.33Å
302	E	88.6	Confident	86.8	Confident	60 Å²	60	77.3 Å²	77.3	28%	0.28	40%	0.398	S	S	.	.	H	α-helix	trans	-56.1	-43.5	175.7	-63.4	-58.2	154.6	0	0	111.6	Q298 M299 M305 A306 R319	Q298-E302 WeakPolarHBondContact O-CG 3.35Å; Q298-E302 PolarHBondContact O-N 3.33Å; M299-E302 PolarHBondContact O-N 3.44Å; E302-M305 VanDerWaalsContact CD-CE 3.41Å; E302-M305 HydrophobicContact CG-CE 4.36Å; E302-M305 PolarHBondContact O-N 3.31Å; E302-M305 WeakPolarHBondContact OE2-CE 3.39Å; E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 2.84Å; E302-R319 WeakPolarHBondContact OE1-CD 3.2Å; E302-R319 IonicContact OE1-CZ 3.23Å; E302-R319 IonicContact OE1-NE 3.77Å; E302-R319 PolarHBondContact OE1-NE 3.32Å; E302-R319 IonicContact OE1-NH2 2.77Å; E302-R319 IonicContact OE2-CZ 3.88Å; E302-R319 IonicContact OE2-NE 2.74Å; E302-R319 PolarHBondContact OE2-NE 3.46Å; E302-R319 IonicContact OE2-NH2 3.81Å; E302-R319 PolarHBondContact OE2-NH2 3.21Å
303	K	88.8	Confident	87.1	Confident	113 Å²	113	78.8 Å²	78.8	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-42	178.4	-169.4	177.3	-170.6	173.1	0	113.1	M299 Q300 L301 R307	M299-K303 VanDerWaalsContact O-CB 3.32Å; M299-K303 WeakPolarHBondContact O-CB 3.44Å; M299-K303 PolarHBondContact O-N 3.4Å; Q300-K303 PolarHBondContact O-N 3.16Å; L301-K303 VanDerWaalsContact C-N 3.28Å; L301-K303 PolarHBondContact O-N 2.81Å; K303-R307 WeakPolarHBondContact O-CB 3.25Å; K303-R307 WeakPolarHBondContact O-CD 3.33Å; K303-R307 WeakPolarHBondContact O-CG 3.48Å; K303-R307 PolarHBondContact O-N 2.88Å
304	E	87.8	Confident	87.2	Confident	49 Å²	49	78.4 Å²	78.4	23%	0.229	41%	0.407	C	S	.	.	H	α-helix	trans	-71.9	-37.5	176.4	-63.6	-49.8	133.4	0	0	112.1	L29 Q300 L301 A306 R307 A308	L29-E304 HydrophobicContact CD1-CG 4.08Å; L29-E304 HydrophobicContact CD2-CG 4.07Å; Q300-E304 VanDerWaalsContact NE2-CG 3.33Å; Q300-E304 PolarHBondContact NE2-OE1 2.87Å; Q300-E304 WeakPolarHBondContact O-CG 3.48Å; Q300-E304 PolarHBondContact O-N 3.46Å; L301-E304 PolarHBondContact O-N 2.76Å; E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.91Å; E304-R307 PolarHBondContact O-N 2.91Å; E304-R307 IonicContact OE1-CZ 2.69Å; E304-R307 IonicContact OE1-NH1 3.48Å; E304-R307 PolarHBondContact OE1-NH1 3.11Å; E304-R307 IonicContact OE2-NH1 3.36Å; E304-A308 WeakPolarHBondContact O-CB 3.16Å; E304-A308 PolarHBondContact O-N 2.89Å
305	M	89.4	Confident	87.4	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-62.3	-40	174.1	-70.3	-172.7	-56	0	0	112.2	L301 E302 D309 F310 Q315 M318 R319	L301-M305 HydrophobicContact CD1-CG 4.21Å; L301-M305 HydrophobicContact CD1-SD 4.4Å; L301-M305 HydrophobicContact CG-CE 4.02Å; L301-M305 HydrophobicContact CG-CG 4.32Å; L301-M305 HydrophobicContact CG-SD 4.11Å; L301-M305 WeakPolarHBondContact O-CB 3.31Å; L301-M305 VanDerWaalsContact O-CG 3.27Å; L301-M305 WeakPolarHBondContact O-CG 3.39Å; L301-M305 PolarHBondContact O-N 2.99Å; E302-M305 VanDerWaalsContact CD-CE 3.41Å; E302-M305 HydrophobicContact CG-CE 4.36Å; E302-M305 PolarHBondContact O-N 3.31Å; E302-M305 WeakPolarHBondContact OE2-CE 3.39Å; M305-D309 PolarHBondContact O-N 2.88Å; M305-F310 HydrophobicContact CB-CD2 4.36Å; M305-F310 HydrophobicContact CG-CD2 4.12Å; M305-F310 PolarHBondContact O-N 3.43Å; M305-Q315 HydrophobicContact CB-CG 4.34Å; M305-Q315 HydrophobicContact SD-CB 3.85Å; M305-Q315 HydrophobicContact SD-CG 4.18Å; M305-M318 HydrophobicContact SD-CB 3.56Å; M305-M318 VanDerWaalsContact SD-CB 3.56Å; M305-M318 HydrophobicContact SD-CG 4.24Å; M305-R319 HydrophobicContact CE-CG 3.95Å
306	A	87.1	Confident	87.5	Confident	75 Å²	75	78.5 Å²	78.5	62%	0.62	41%	0.414	S	S	*	.	H	α-helix	trans	-69.2	-38.5	174.8	0	0	0	0	0	112.5	E302 E304 A308 D309	E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 2.84Å; E304-A306 VanDerWaalsContact C-N 3.33Å; E304-A306 PolarHBondContact O-N 2.91Å; A306-A308 VanDerWaalsContact C-N 3.33Å; A306-A308 PolarHBondContact O-N 2.87Å; A306-D309 PolarHBondContact O-N 3Å
307	R	89.3	Confident	87.5	Confident	160 Å²	160	78.6 Å²	78.6	60%	0.604	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-34.1	175.4	-79.3	166.3	165	-172	-12.1	113.6	K303 E304	K303-R307 WeakPolarHBondContact O-CB 3.25Å; K303-R307 WeakPolarHBondContact O-CD 3.33Å; K303-R307 WeakPolarHBondContact O-CG 3.48Å; K303-R307 PolarHBondContact O-N 2.88Å; E304-R307 PolarHBondContact O-N 2.91Å; E304-R307 IonicContact OE1-CZ 2.69Å; E304-R307 IonicContact OE1-NH1 3.48Å; E304-R307 PolarHBondContact OE1-NH1 3.11Å; E304-R307 IonicContact OE2-NH1 3.36Å
308	A	87.4	Confident	87.4	Confident	48 Å²	48	78.8 Å²	78.8	40%	0.397	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.7	-178	0	0	0	0	0	113.9	E304 A306 F310	E304-A308 WeakPolarHBondContact O-CB 3.16Å; E304-A308 PolarHBondContact O-N 2.89Å; A306-A308 VanDerWaalsContact C-N 3.33Å; A306-A308 PolarHBondContact O-N 2.87Å; A308-F310 VanDerWaalsContact C-N 3.29Å; A308-F310 HydrophobicContact CB-CD1 3.76Å; A308-F310 HydrophobicContact CB-CD2 4.2Å; A308-F310 HydrophobicContact CB-CE1 3.44Å; A308-F310 VanDerWaalsContact CB-CE1 3.44Å; A308-F310 HydrophobicContact CB-CE2 3.9Å; A308-F310 HydrophobicContact CB-CG 4.14Å; A308-F310 HydrophobicContact CB-CZ 3.51Å; A308-F310 PolarHBondContact O-N 3.21Å
309	D	86.2	Confident	87.6	Confident	145 Å²	145	78.3 Å²	78.3	78%	0.775	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	48	-178.3	-162.4	23.9	0	0	0	113.3	M305 A306	M305-D309 PolarHBondContact O-N 2.88Å; A306-D309 PolarHBondContact O-N 3Å
310	F	84.1	Confident	87.5	Confident	74 Å²	74	79.3 Å²	79.3	33%	0.325	41%	0.409	S	S	.	.			trans	-71	141.1	-175.9	-71.2	-28.1	0	0	0	112.2	M305 A308 L314 Q315	M305-F310 HydrophobicContact CB-CD2 4.36Å; M305-F310 HydrophobicContact CG-CD2 4.12Å; M305-F310 PolarHBondContact O-N 3.43Å; A308-F310 VanDerWaalsContact C-N 3.29Å; A308-F310 HydrophobicContact CB-CD1 3.76Å; A308-F310 HydrophobicContact CB-CD2 4.2Å; A308-F310 HydrophobicContact CB-CE1 3.44Å; A308-F310 VanDerWaalsContact CB-CE1 3.44Å; A308-F310 HydrophobicContact CB-CE2 3.9Å; A308-F310 HydrophobicContact CB-CG 4.14Å; A308-F310 HydrophobicContact CB-CZ 3.51Å; A308-F310 PolarHBondContact O-N 3.21Å; F310-L314 HydrophobicContact CB-CB 4.48Å; F310-L314 HydrophobicContact CB-CD2 4.06Å; F310-L314 HydrophobicContact CB-CG 4.38Å; F310-L314 HydrophobicContact CD1-CD2 3.9Å; F310-L314 HydrophobicContact CD2-CD2 4.22Å; F310-L314 HydrophobicContact CE1-CD2 4.36Å; F310-L314 HydrophobicContact CG-CD2 3.82Å; F310-L314 HydrophobicContact CG-CG 4.42Å; F310-Q315 HydrophobicContact CB-CG 4.08Å; F310-Q315 WeakPolarHBondContact O-CG 3.38Å; F310-Q315 PolarHBondContact O-NE2 3.2Å
311	P	86.8	Confident	87.4	Confident	88 Å²	88	78.8 Å²	78.8	57%	0.571	41%	0.408	S	S	*	.			trans	-54.1	143.4	173.7	-26	34.1	0	0	0	112.5	Q313 L314 Q315	P311-Q313 PolarHBondContact O-N 3.01Å; P311-L314 WeakPolarHBondContact O-CA 3.33Å; P311-L314 WeakPolarHBondContact O-CB 3.32Å; P311-L314 PolarHBondContact O-N 3.39Å; P311-Q315 PolarHBondContact O-N 3.45Å
312	A	87.1	Confident	87.3	Confident	75 Å²	75	79.4 Å²	79.4	62%	0.62	41%	0.411	S	S	*	.	H	α-helix	trans	-53.5	-33.2	-175.1	0	0	0	0	0	114.2	Q315 C316	A312-Q315 PolarHBondContact O-N 2.88Å; A312-C316 WeakPolarHBondContact O-CB 3.42Å; A312-C316 PolarHBondContact O-N 3.25Å
313	Q	86.1	Confident	87.1	Confident	151 Å²	151	79.7 Å²	79.7	71%	0.706	42%	0.417	S	S	*	.	H	α-helix	trans	-64	-44.2	174.3	-175.4	175.7	-0.5	0	0	112.3	P311 C316 Q317	P311-Q313 PolarHBondContact O-N 3.01Å; Q313-C316 WeakPolarHBondContact O-CB 3.33Å; Q313-C316 PolarHBondContact O-N 2.84Å; Q313-Q317 WeakPolarHBondContact O-CG 3.45Å; Q313-Q317 PolarHBondContact O-N 2.96Å
314	L	85.4	Confident	86.8	Confident	53 Å²	53	80.7 Å²	80.7	28%	0.277	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-41.1	176.3	-177.8	59.2	0	0	0	110.8	F310 P311 C316 Q317 M318	F310-L314 HydrophobicContact CB-CB 4.48Å; F310-L314 HydrophobicContact CB-CD2 4.06Å; F310-L314 HydrophobicContact CB-CG 4.38Å; F310-L314 HydrophobicContact CD1-CD2 3.9Å; F310-L314 HydrophobicContact CD2-CD2 4.22Å; F310-L314 HydrophobicContact CE1-CD2 4.36Å; F310-L314 HydrophobicContact CG-CD2 3.82Å; F310-L314 HydrophobicContact CG-CG 4.42Å; P311-L314 WeakPolarHBondContact O-CA 3.33Å; P311-L314 WeakPolarHBondContact O-CB 3.32Å; P311-L314 PolarHBondContact O-N 3.39Å; L314-C316 VanDerWaalsContact C-N 3.31Å; L314-C316 PolarHBondContact O-N 3.5Å; L314-Q317 PolarHBondContact O-N 2.89Å; L314-M318 HydrophobicContact CD1-CE 3.98Å; L314-M318 HydrophobicContact CD1-CG 4.44Å; L314-M318 HydrophobicContact CG-CG 4.48Å; L314-M318 VanDerWaalsContact O-CG 3.27Å; L314-M318 WeakPolarHBondContact O-CG 3.5Å; L314-M318 PolarHBondContact O-N 2.77Å
315	Q	87.6	Confident	86.4	Confident	45 Å²	45	81.9 Å²	81.9	21%	0.21	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-43.3	173.2	-58.6	-176.2	17.6	0	0	111.9	M305 F310 P311 A312 Q317 M318 R319	M305-Q315 HydrophobicContact CB-CG 4.34Å; M305-Q315 HydrophobicContact SD-CB 3.85Å; M305-Q315 HydrophobicContact SD-CG 4.18Å; F310-Q315 HydrophobicContact CB-CG 4.08Å; F310-Q315 WeakPolarHBondContact O-CG 3.38Å; F310-Q315 PolarHBondContact O-NE2 3.2Å; P311-Q315 PolarHBondContact O-N 3.45Å; A312-Q315 PolarHBondContact O-N 2.88Å; Q315-Q317 PolarHBondContact O-N 3.41Å; Q315-M318 PolarHBondContact O-N 2.99Å; Q315-R319 WeakPolarHBondContact O-CG 3.29Å; Q315-R319 PolarHBondContact O-N 3.46Å
316	C	88.7	Confident	86.1	Confident	55 Å²	55	82.3 Å²	82.3	37%	0.372	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.1	-176.5	0	0	0	0	112.1	A312 Q313 L314 K320	A312-C316 WeakPolarHBondContact O-CB 3.42Å; A312-C316 PolarHBondContact O-N 3.25Å; Q313-C316 WeakPolarHBondContact O-CB 3.33Å; Q313-C316 PolarHBondContact O-N 2.84Å; L314-C316 VanDerWaalsContact C-N 3.31Å; L314-C316 PolarHBondContact O-N 3.5Å; C316-K320 WeakPolarHBondContact O-CG 3.36Å; C316-K320 PolarHBondContact O-N 3.23Å
317	Q	87.3	Confident	85.7	Confident	103 Å²	103	81.6 Å²	81.6	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-44.3	173.8	-72.7	172.3	-23.8	0	0	112.2	Q313 L314 Q315 K320 L321	Q313-Q317 WeakPolarHBondContact O-CG 3.45Å; Q313-Q317 PolarHBondContact O-N 2.96Å; L314-Q317 PolarHBondContact O-N 2.89Å; Q315-Q317 PolarHBondContact O-N 3.41Å; Q317-K320 WeakPolarHBondContact O-CB 3.47Å; Q317-K320 PolarHBondContact O-N 2.97Å; Q317-L321 WeakPolarHBondContact O-CB 3.35Å; Q317-L321 PolarHBondContact O-N 3.21Å
318	M	86.1	Confident	85.1	Confident	40 Å²	40	76.9 Å²	76.9	20%	0.197	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177.4	-70.7	-65.1	113.5	0	0	112.2	L27 L301 M305 L314 Q315 K320 L321 L322	L27-M318 HydrophobicContact CD1-SD 3.59Å; L27-M318 VanDerWaalsContact CD1-SD 3.59Å; L301-M318 HydrophobicContact CD1-CB 4.43Å; L301-M318 HydrophobicContact CD2-CB 4.39Å; M305-M318 HydrophobicContact SD-CB 3.56Å; M305-M318 VanDerWaalsContact SD-CB 3.56Å; M305-M318 HydrophobicContact SD-CG 4.24Å; L314-M318 HydrophobicContact CD1-CE 3.98Å; L314-M318 HydrophobicContact CD1-CG 4.44Å; L314-M318 HydrophobicContact CG-CG 4.48Å; L314-M318 VanDerWaalsContact O-CG 3.27Å; L314-M318 WeakPolarHBondContact O-CG 3.5Å; L314-M318 PolarHBondContact O-N 2.77Å; Q315-M318 PolarHBondContact O-N 2.99Å; M318-K320 PolarHBondContact O-N 3.16Å; M318-L321 PolarHBondContact O-N 2.8Å; M318-L322 PolarHBondContact O-N 3.42Å
319	R	89.2	Confident	84.5	Confident	91 Å²	91	75.2 Å²	75.2	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-59.4	-45.5	174.2	-69.6	175.1	-172.5	114.8	10.1	111.5	E302 M305 Q315 L321 L322 T323	E302-R319 WeakPolarHBondContact OE1-CD 3.2Å; E302-R319 IonicContact OE1-CZ 3.23Å; E302-R319 IonicContact OE1-NE 3.77Å; E302-R319 PolarHBondContact OE1-NE 3.32Å; E302-R319 IonicContact OE1-NH2 2.77Å; E302-R319 IonicContact OE2-CZ 3.88Å; E302-R319 IonicContact OE2-NE 2.74Å; E302-R319 PolarHBondContact OE2-NE 3.46Å; E302-R319 IonicContact OE2-NH2 3.81Å; E302-R319 PolarHBondContact OE2-NH2 3.21Å; M305-R319 HydrophobicContact CE-CG 3.95Å; Q315-R319 WeakPolarHBondContact O-CG 3.29Å; Q315-R319 PolarHBondContact O-N 3.46Å; R319-L321 PolarHBondContact O-N 2.78Å; R319-L322 PolarHBondContact O-N 2.85Å; R319-T323 PolarHBondContact O-N 3.37Å; R319-T323 PolarHBondContact O-OG1 2.67Å
320	K	87.1	Confident	84	Confident	140 Å²	140	69.5 Å²	69.5	61%	0.609	37%	0.365	S	S	*	.	H	α-helix	trans	-59.9	-44.1	175.4	-74.8	174.7	179.4	-178.7	0	112.2	C316 Q317 M318 L322 T323 Q324	C316-K320 WeakPolarHBondContact O-CG 3.36Å; C316-K320 PolarHBondContact O-N 3.23Å; Q317-K320 WeakPolarHBondContact O-CB 3.47Å; Q317-K320 PolarHBondContact O-N 2.97Å; M318-K320 PolarHBondContact O-N 3.16Å; K320-L322 PolarHBondContact O-N 3.44Å; K320-T323 PolarHBondContact O-N 3.18Å; K320-Q324 WeakPolarHBondContact O-CB 3.43Å; K320-Q324 PolarHBondContact O-N 3.17Å
321	L	86.4	Confident	83.6	Confident	64 Å²	64	73.9 Å²	73.9	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-43.2	177.8	-177.4	65.6	0	0	0	111.6	L27 Q317 M318 R319 Q324 K325	L27-L321 HydrophobicContact CD1-CD2 4.47Å; Q317-L321 WeakPolarHBondContact O-CB 3.35Å; Q317-L321 PolarHBondContact O-N 3.21Å; M318-L321 PolarHBondContact O-N 2.8Å; R319-L321 PolarHBondContact O-N 2.78Å; L321-Q324 PolarHBondContact O-N 2.84Å; L321-K325 PolarHBondContact O-N 3.46Å
322	L	86.8	Confident	82.9	Confident	36 Å²	36	71.1 Å²	71.1	19%	0.188	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-47.1	174.1	179.2	63.1	0	0	0	111.6	R297 Q298 L301 M318 R319 K320 Q324 K325 E326	R297-L322 HydrophobicContact CB-CD1 4.46Å; Q298-L322 HydrophobicContact CB-CD2 4.25Å; L301-L322 HydrophobicContact CB-CD2 4.26Å; L301-L322 HydrophobicContact CD2-CB 3.76Å; L301-L322 HydrophobicContact CD2-CD2 3.72Å; L301-L322 HydrophobicContact CD2-CG 4.33Å; M318-L322 PolarHBondContact O-N 3.42Å; R319-L322 PolarHBondContact O-N 2.85Å; K320-L322 PolarHBondContact O-N 3.44Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.34Å; L322-K325 PolarHBondContact O-N 2.99Å; L322-E326 HydrophobicContact CD1-CG 4.27Å; L322-E326 HydrophobicContact CG-CG 4.48Å; L322-E326 WeakPolarHBondContact O-CB 3.37Å; L322-E326 WeakPolarHBondContact O-CG 3.38Å; L322-E326 PolarHBondContact O-N 3.11Å
323	T	84.6	Confident	82.2	Confident	66 Å²	66	72.5 Å²	72.5	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-38.5	176.5	-53.1	0	0	0	0	112.1	A82 R319 K320 S327	A82-T323 HydrophobicContact CB-CG2 4.04Å; R319-T323 PolarHBondContact O-N 3.37Å; R319-T323 PolarHBondContact O-OG1 2.67Å; K320-T323 PolarHBondContact O-N 3.18Å; T323-S327 WeakPolarHBondContact O-CB 3.2Å; T323-S327 PolarHBondContact O-N 3.18Å; T323-S327 PolarHBondContact O-OG 3.39Å
324	Q	82.7	Confident	81.4	Confident	135 Å²	135	74 Å²	74	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-67.5	-45.3	176.3	-170.5	-179.7	12.4	0	0	111.8	K320 L321 L322 S327 C328	K320-Q324 WeakPolarHBondContact O-CB 3.43Å; K320-Q324 PolarHBondContact O-N 3.17Å; L321-Q324 PolarHBondContact O-N 2.84Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.34Å; Q324-S327 PolarHBondContact O-N 3.05Å; Q324-C328 WeakPolarHBondContact O-CB 3.41Å; Q324-C328 PolarHBondContact O-N 3.28Å
325	K	79.9	Confident	80.8	Confident	73 Å²	73	76.7 Å²	76.7	32%	0.317	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.7	-74	-154.5	176.4	-149.7	0	112.2	L321 L322 S327 C328 Y329 F703 D707	L321-K325 PolarHBondContact O-N 3.46Å; L322-K325 PolarHBondContact O-N 2.99Å; K325-S327 PolarHBondContact O-N 2.81Å; K325-C328 PolarHBondContact O-N 2.97Å; K325-Y329 WeakPolarHBondContact O-CB 3.36Å; K325-Y329 PolarHBondContact O-N 3.48Å; K325-F703 HydrophobicContact CB-CZ 4.41Å; K325-D707 IonicContact NZ-OD2 3.62Å; K325-D707 PolarHBondContact NZ-OD2 3.19Å
326	E	82.8	Confident	80.2	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-57.6	-46.2	173.7	-77.6	-68.8	160.7	0	0	112.1	R294 R297 L322 Y329 L330 F703	R294-E326 WeakPolarHBondContact CD-OE2 3.42Å; R294-E326 VanDerWaalsContact CG-OE2 3.29Å; R294-E326 WeakPolarHBondContact CG-OE2 3.33Å; R294-E326 IonicContact CZ-OE2 3.77Å; R294-E326 IonicContact NE-OE2 3.85Å; R294-E326 PolarHBondContact NE-OE2 2.9Å; R297-E326 IonicContact CZ-OE1 3.86Å; R297-E326 VanDerWaalsContact CZ-OE1 3.23Å; R297-E326 IonicContact NE-OE1 2.74Å; R297-E326 PolarHBondContact NE-OE1 3.35Å; R297-E326 IonicContact NH2-OE1 2.67Å; R297-E326 PolarHBondContact NH2-OE1 2.84Å; R297-E326 IonicContact NH2-OE2 3.43Å; L322-E326 HydrophobicContact CD1-CG 4.27Å; L322-E326 HydrophobicContact CG-CG 4.48Å; L322-E326 WeakPolarHBondContact O-CB 3.37Å; L322-E326 WeakPolarHBondContact O-CG 3.38Å; L322-E326 PolarHBondContact O-N 3.11Å; E326-Y329 PolarHBondContact O-N 2.92Å; E326-L330 WeakPolarHBondContact O-CG 3.43Å; E326-L330 PolarHBondContact O-N 3.23Å; E326-F703 HydrophobicContact CG-CE2 4.39Å; E326-F703 HydrophobicContact CG-CZ 4.17Å; E326-F703 WeakPolarHBondContact OE1-CE2 3.3Å; E326-F703 VanDerWaalsContact OE1-CZ 3.31Å; E326-F703 WeakPolarHBondContact OE1-CZ 3.34Å
327	S	79	Confident	79.8	Confident	60 Å²	60	82.3 Å²	82.3	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-40.5	177.9	-58.8	0	0	0	0	112.6	T323 Q324 K325 R331	T323-S327 WeakPolarHBondContact O-CB 3.2Å; T323-S327 PolarHBondContact O-N 3.18Å; T323-S327 PolarHBondContact O-OG 3.39Å; Q324-S327 PolarHBondContact O-N 3.05Å; K325-S327 PolarHBondContact O-N 2.81Å; S327-R331 PolarHBondContact O-N 3.33Å; S327-R331 VanDerWaalsContact O-N 3.12Å
328	C	76.1	Confident	79.7	Confident	60 Å²	60	81.1 Å²	81.1	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.6	-170.9	0	0	0	0	111.3	Q324 K325 L330 R331 L332	Q324-C328 WeakPolarHBondContact O-CB 3.41Å; Q324-C328 PolarHBondContact O-N 3.28Å; K325-C328 PolarHBondContact O-N 2.97Å; C328-L330 PolarHBondContact O-N 2.97Å; C328-R331 CarbonylContact O-C 3.57Å; C328-R331 WeakPolarHBondContact O-CA 3.41Å; C328-R331 WeakPolarHBondContact O-CB 3.34Å; C328-R331 PolarHBondContact O-N 2.77Å; C328-R331 VanDerWaalsContact O-N 3.1Å; C328-L332 WeakPolarHBondContact O-CB 3.35Å; C328-L332 PolarHBondContact O-N 3.48Å
329	Y	74.5	Confident	79.9	Confident	14 Å²	14	80.8 Å²	80.8	6%	0.055	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-44.3	177.4	175.2	-112.3	0	0	0	112.6	M290 K325 E326 R331 L332 R333 R701 F703	M290-Y329 HydrophobicContact CE-CE1 3.86Å; K325-Y329 WeakPolarHBondContact O-CB 3.36Å; K325-Y329 PolarHBondContact O-N 3.48Å; E326-Y329 PolarHBondContact O-N 2.92Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.49Å; Y329-L332 PolarHBondContact O-N 2.97Å; Y329-R333 HydrophobicContact CD2-CG 4.39Å; Y329-R333 HydrophobicContact CE1-CG 4.34Å; Y329-R333 HydrophobicContact CE2-CG 4.04Å; Y329-R333 WeakPolarHBondContact O-CG 3.35Å; Y329-R333 PolarHBondContact O-N 3.47Å; Y329-R701 WeakPolarHBondContact CE2-O 3.38Å; Y329-R701 PolarHBondContact OH-O 3.4Å; Y329-F703 AromaticContact CD1-CD2 3.4Å; Y329-F703 HydrophobicContact CD1-CD2 3.4Å; Y329-F703 AromaticContact CD1-CE2 3.72Å; Y329-F703 HydrophobicContact CD1-CE2 3.72Å; Y329-F703 HydrophobicContact CD2-CB 4.38Å; Y329-F703 AromaticContact CD2-CD2 3.76Å; Y329-F703 HydrophobicContact CD2-CD2 3.76Å; Y329-F703 HydrophobicContact CD2-CG 4.43Å; Y329-F703 AromaticContact CE1-CD2 3.69Å; Y329-F703 HydrophobicContact CE1-CD2 3.69Å; Y329-F703 HydrophobicContact CE1-CE2 4.37Å; Y329-F703 HydrophobicContact CE2-CB 4.12Å; Y329-F703 HydrophobicContact CE2-CD2 4.07Å; Y329-F703 AromaticContact CG-CD2 3.39Å; Y329-F703 HydrophobicContact CG-CD2 3.39Å; Y329-F703 AromaticContact CG-CE2 3.76Å; Y329-F703 HydrophobicContact CG-CE2 3.76Å; Y329-F703 HydrophobicContact CG-CG 4.43Å
330	L	76.6	Confident	80	Confident	25 Å²	25	80 Å²	80	13%	0.131	38%	0.38	C	S	.	.	H	α-helix	trans	-61	-36.6	174.6	-72.5	176.4	0	0	0	112.4	M290 E326 C328 R334	M290-L330 HydrophobicContact CE-CD2 4.3Å; E326-L330 WeakPolarHBondContact O-CG 3.43Å; E326-L330 PolarHBondContact O-N 3.23Å; C328-L330 PolarHBondContact O-N 2.97Å; L330-R334 WeakPolarHBondContact O-CG 3.25Å
331	R	75.1	Confident	80.2	Confident	166 Å²	166	77 Å²	77	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-68.5	-43.6	173.6	-170.7	-177.8	-66.3	143.4	-2.1	111.6	S327 C328 Y329 R333 R334 Q335	S327-R331 PolarHBondContact O-N 3.33Å; S327-R331 VanDerWaalsContact O-N 3.12Å; C328-R331 CarbonylContact O-C 3.57Å; C328-R331 WeakPolarHBondContact O-CA 3.41Å; C328-R331 WeakPolarHBondContact O-CB 3.34Å; C328-R331 PolarHBondContact O-N 2.77Å; C328-R331 VanDerWaalsContact O-N 3.1Å; Y329-R331 VanDerWaalsContact C-N 3.28Å; Y329-R331 PolarHBondContact O-N 3.49Å; R331-R333 PolarHBondContact O-N 3.23Å; R331-R334 WeakPolarHBondContact O-CB 3.3Å; R331-R334 PolarHBondContact O-N 3.42Å; R331-R334 VanDerWaalsContact O-N 3.13Å; R331-Q335 PolarHBondContact O-N 3.48Å
332	L	72.5	Confident	80.5	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-39.4	179.2	-171.7	66.5	0	0	0	112.2	C328 Y329 R334 Q335 R701 S706	C328-L332 WeakPolarHBondContact O-CB 3.35Å; C328-L332 PolarHBondContact O-N 3.48Å; Y329-L332 PolarHBondContact O-N 2.97Å; L332-R334 PolarHBondContact O-N 3.17Å; L332-Q335 WeakPolarHBondContact O-CB 3.48Å; L332-Q335 PolarHBondContact O-N 3.15Å; L332-Q335 VanDerWaalsContact O-N 3.13Å; L332-R701 PolarHBondContact O-NE 3.12Å; L332-R701 VanDerWaalsContact O-NE 3.13Å; L332-R701 PolarHBondContact O-NH2 3.19Å; L332-S706 WeakPolarHBondContact CD2-OG 3.07Å
333	R	71.4	Confident	80.9	Confident	103 Å²	103	77.5 Å²	77.5	39%	0.389	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-26.7	173.5	-72.7	-173.3	80.1	-127.9	10.6	113.8	M290 Y329 R331	M290-R333 PolarHBondContact SD-NH1 3.26Å; M290-R333 PolarHBondContact SD-NH2 3.06Å; Y329-R333 HydrophobicContact CD2-CG 4.39Å; Y329-R333 HydrophobicContact CE1-CG 4.34Å; Y329-R333 HydrophobicContact CE2-CG 4.04Å; Y329-R333 WeakPolarHBondContact O-CG 3.35Å; Y329-R333 PolarHBondContact O-N 3.47Å; R331-R333 PolarHBondContact O-N 3.23Å
334	R	70.2	Confident	81.4	Confident	182 Å²	182	79.1 Å²	79.1	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-78.9	-21.5	175.8	-65.9	170.4	-173.4	-178.3	2.5	112.6	L330 R331 L332 R336	L330-R334 WeakPolarHBondContact O-CG 3.25Å; R331-R334 WeakPolarHBondContact O-CB 3.3Å; R331-R334 PolarHBondContact O-N 3.42Å; R331-R334 VanDerWaalsContact O-N 3.13Å; L332-R334 PolarHBondContact O-N 3.17Å; R334-R336 PolarHBondContact O-N 2.92Å
335	Q	71.3	Confident	82	Confident	111 Å²	111	75.8 Å²	75.8	52%	0.519	36%	0.356	S	S	.	.	S	Bend	trans	-74	124.6	173.9	-65.8	179.1	-8.9	0	0	109.8	R331 L332 R701	R331-Q335 PolarHBondContact O-N 3.48Å; L332-Q335 WeakPolarHBondContact O-CB 3.48Å; L332-Q335 PolarHBondContact O-N 3.15Å; L332-Q335 VanDerWaalsContact O-N 3.13Å; Q335-R701 PolarHBondContact O-NH2 3.4Å
336	R	75.6	Confident	82.6	Confident	204 Å²	204	76.1 Å²	76.1	77%	0.77	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-67.2	137.8	171.4	-60.3	-173	75.3	164.1	4.2	109.4	R334 M341	R334-R336 PolarHBondContact O-N 2.92Å; R336-M341 VanDerWaalsContact O-CE 3.3Å; R336-M341 WeakPolarHBondContact O-CE 3.02Å
337	M	81.6	Confident	83.1	Confident	14 Å²	14	76 Å²	76	7%	0.069	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-90.9	152.5	164.8	-66.6	-170.5	62.8	0	0	109.4	F342 Y407 F409 R701	M337-F342 HydrophobicContact CE-CE2 3.8Å; M337-F342 HydrophobicContact CE-CZ 3.67Å; M337-Y407 HydrophobicContact CE-CD1 4.3Å; M337-Y407 HydrophobicContact CE-CD2 3.63Å; M337-Y407 HydrophobicContact CE-CE2 4.29Å; M337-Y407 HydrophobicContact CE-CG 3.63Å; M337-Y407 VanDerWaalsContact SD-CB 3.55Å; M337-Y407 HydrophobicContact SD-CD1 3.86Å; M337-Y407 HydrophobicContact SD-CD2 4.25Å; M337-Y407 HydrophobicContact SD-CG 3.62Å; M337-F409 HydrophobicContact CB-CB 3.92Å; M337-F409 HydrophobicContact CB-CD1 3.71Å; M337-F409 HydrophobicContact CB-CD2 4.34Å; M337-F409 HydrophobicContact CB-CE1 4.29Å; M337-F409 HydrophobicContact CB-CG 3.74Å; M337-F409 HydrophobicContact CE-CD1 3.95Å; M337-F409 HydrophobicContact CE-CE1 3.96Å; M337-F409 HydrophobicContact SD-CD1 4.21Å; M337-R701 HydrophobicContact SD-CG 4.26Å
338	D	85.3	Confident	83.6	Confident	78 Å²	78	74 Å²	74	42%	0.417	34%	0.341	S	S	.	.			trans	-143.1	147.8	-178.3	-168.4	-81.1	0	0	0	109.2	S340 M341	D338-S340 PolarHBondContact O-N 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.24Å; D338-S340 WeakPolarHBondContact OD1-CB 3.35Å; D338-S340 PolarHBondContact OD1-N 3.39Å; D338-S340 PolarHBondContact OD1-OG 2.88Å; D338-M341 HydrophobicContact CB-CE 4.25Å; D338-M341 HydrophobicContact CB-CG 4.43Å; D338-M341 WeakPolarHBondContact O-CB 3.5Å; D338-M341 WeakPolarHBondContact O-CG 3.28Å; D338-M341 PolarHBondContact O-N 3.39Å; D338-M341 VanDerWaalsContact O-N 3.15Å
339	A	89.7	Confident	84.1	Confident	33 Å²	33	72.1 Å²	72.1	27%	0.273	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.6	179.6	0	0	0	0	0	112.2	M341 F342 F409 F416	A339-M341 PolarHBondContact O-N 3.04Å; A339-M341 VanDerWaalsContact O-N 3.13Å; A339-F342 PolarHBondContact O-N 2.86Å; A339-F409 HydrophobicContact CB-CE2 4.38Å; A339-F416 HydrophobicContact CB-CE1 3.85Å; A339-F416 HydrophobicContact CB-CZ 3.98Å
340	S	90.8	Very high	84.5	Confident	75 Å²	75	72.5 Å²	72.5	52%	0.524	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-62.2	-16.7	177	61.2	0	0	0	0	114.9	D338 F342 K362	D338-S340 PolarHBondContact O-N 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.24Å; D338-S340 WeakPolarHBondContact OD1-CB 3.35Å; D338-S340 PolarHBondContact OD1-N 3.39Å; D338-S340 PolarHBondContact OD1-OG 2.88Å; S340-F342 PolarHBondContact O-N 3.28Å; S340-K362 WeakPolarHBondContact O-CE 3.47Å; S340-K362 PolarHBondContact O-NZ 2.68Å
341	M	90.8	Very high	84.5	Confident	76 Å²	76	72.7 Å²	72.7	37%	0.374	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-70.9	-12.8	173.4	-59	-177.6	179.2	0	0	113.1	R336 D338 A339 K362	R336-M341 VanDerWaalsContact O-CE 3.3Å; R336-M341 WeakPolarHBondContact O-CE 3.02Å; D338-M341 HydrophobicContact CB-CE 4.25Å; D338-M341 HydrophobicContact CB-CG 4.43Å; D338-M341 WeakPolarHBondContact O-CB 3.5Å; D338-M341 WeakPolarHBondContact O-CG 3.28Å; D338-M341 PolarHBondContact O-N 3.39Å; D338-M341 VanDerWaalsContact O-N 3.15Å; A339-M341 PolarHBondContact O-N 3.04Å; A339-M341 VanDerWaalsContact O-N 3.13Å; M341-K362 WeakPolarHBondContact O-CG 3.36Å; M341-K362 PolarHBondContact O-N 3.41Å
342	F	94.1	Very high	84.3	Confident	12 Å²	12	66.1 Å²	66.1	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.3	-178.5	-59.7	-90.3	0	0	0	110.9	M337 A339 S340 V359 R360 K361 K362 F368 Y407 F409 I418	M337-F342 HydrophobicContact CE-CE2 3.8Å; M337-F342 HydrophobicContact CE-CZ 3.67Å; A339-F342 PolarHBondContact O-N 2.86Å; S340-F342 PolarHBondContact O-N 3.28Å; F342-V359 HydrophobicContact CB-CB 4.27Å; F342-V359 HydrophobicContact CB-CG2 4.41Å; F342-V359 HydrophobicContact CD1-CB 4.47Å; F342-V359 HydrophobicContact CD1-CG2 3.79Å; F342-V359 HydrophobicContact CG-CG2 4.4Å; F342-R360 CarbonylContact C-O 3.54Å; F342-R360 WeakPolarHBondContact CA-O 3.34Å; F342-K361 HydrophobicContact CD1-CB 3.9Å; F342-K361 HydrophobicContact CD1-CG 4.04Å; F342-K361 HydrophobicContact CE1-CB 3.77Å; F342-K361 HydrophobicContact CE1-CD 3.96Å; F342-K361 HydrophobicContact CE1-CG 3.63Å; F342-K361 HydrophobicContact CZ-CD 4.21Å; F342-K361 HydrophobicContact CZ-CG 4.13Å; F342-K362 WeakPolarHBondContact O-CE 3.41Å; F342-F368 HydrophobicContact CE1-CD2 4.13Å; F342-Y407 HydrophobicContact CZ-CD2 4.48Å; F342-F409 HydrophobicContact CD2-CZ 4.29Å; F342-F409 AromaticContact CE2-CE1 3.79Å; F342-F409 HydrophobicContact CE2-CE1 3.79Å; F342-F409 AromaticContact CE2-CZ 3.97Å; F342-F409 HydrophobicContact CE2-CZ 3.97Å; F342-F409 HydrophobicContact CZ-CE1 4.45Å; F342-I418 HydrophobicContact CD1-CD1 4.47Å; F342-I418 HydrophobicContact CD2-CD1 4.47Å; F342-I418 HydrophobicContact CE1-CD1 4.06Å; F342-I418 HydrophobicContact CE1-CG1 4.28Å; F342-I418 HydrophobicContact CE1-CG2 3.97Å; F342-I418 HydrophobicContact CE2-CD1 4.08Å; F342-I418 HydrophobicContact CE2-CG1 4.28Å; F342-I418 HydrophobicContact CZ-CD1 3.86Å; F342-I418 HydrophobicContact CZ-CG1 3.81Å; F342-I418 HydrophobicContact CZ-CG2 4.2Å
343	E	95.2	Very high	84.6	Confident	99 Å²	99	66.5 Å²	66.5	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	170	-179.8	-169.5	-171.1	0	0	108	V359 R360 K362	E343-V359 CarbonylContact O-C 3.58Å; E343-V359 WeakPolarHBondContact O-CA 3.21Å; E343-V359 WeakPolarHBondContact O-CB 3.48Å; E343-R360 HydrophobicContact CB-CB 4.39Å; E343-R360 PolarHBondContact N-O 2.92Å; E343-R360 PolarHBondContact O-N 2.94Å; E343-K362 HydrophobicContact CB-CG 4.45Å
344	K	94.9	Very high	85.2	Confident	99 Å²	99	61.7 Å²	61.7	43%	0.43	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.7	177.8	-176.3	179.9	176.3	179.9	0	109.7	T347 E355 A357	K344-T347 WeakPolarHBondContact CE-OG1 3.48Å; K344-T347 PolarHBondContact NZ-OG1 3.4Å; K344-E355 IonicContact NZ-OE1 3.83Å; K344-E355 PolarHBondContact NZ-OE1 2.89Å; K344-E355 IonicContact NZ-OE2 2.81Å; K344-E355 PolarHBondContact NZ-OE2 3.49Å; K344-A357 HydrophobicContact CD-CB 4.2Å; K344-A357 HydrophobicContact CG-CB 3.95Å
345	I	93.9	Very high	86.2	Confident	65 Å²	65	54 Å²	54	33%	0.333	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-53.9	179.6	-65.1	164.7	0	0	0	110.4	L358 R360 L367 T667	I345-L358 HydrophobicContact CB-CD2 4.37Å; I345-L358 HydrophobicContact CB-CG 4.21Å; I345-L358 WeakPolarHBondContact CB-O 3.44Å; I345-L358 HydrophobicContact CD1-CD2 4.41Å; I345-L358 HydrophobicContact CD1-CG 4.16Å; I345-L358 HydrophobicContact CG2-CD2 4.14Å; I345-L358 PolarHBondContact N-O 2.86Å; I345-R360 HydrophobicContact CD1-CB 3.97Å; I345-L367 HydrophobicContact CD1-CD2 3.48Å; I345-L367 VanDerWaalsContact CD1-CD2 3.48Å; I345-T667 HydrophobicContact CD1-CG2 3.93Å
346	K	93	Very high	87.2	Confident	80 Å²	80	50.4 Å²	50.4	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	139.6	-176.5	-176.7	173.5	164.5	-169.2	0	111.3	I348 A357 L358 T669	K346-I348 PolarHBondContact O-N 3.49Å; K346-A357 CarbonylContact O-C 3.55Å; K346-A357 WeakPolarHBondContact O-CA 3.43Å; K346-L358 PolarHBondContact N-O 2.93Å; K346-L358 PolarHBondContact O-N 3.3Å; K346-T669 HydrophobicContact CD-CG2 4.27Å; K346-T669 WeakPolarHBondContact CD-OG1 3.38Å; K346-T669 PolarHBondContact NZ-OG1 2.84Å
347	T	92.8	Very high	88.1	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.055	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.8	167.3	-61.8	0	0	0	0	109.2	K344 G349 I350 E355 V675	K344-T347 WeakPolarHBondContact CE-OG1 3.48Å; K344-T347 PolarHBondContact NZ-OG1 3.4Å; T347-G349 WeakPolarHBondContact CG2-O 3.35Å; T347-I350 HydrophobicContact CG2-CG1 4.35Å; T347-E355 HydrophobicContact CG2-CB 4.21Å; T347-E355 WeakPolarHBondContact CG2-OE2 3.18Å; T347-E355 PolarHBondContact OG1-OE2 3.28Å; T347-V675 HydrophobicContact CG2-CB 4.36Å; T347-V675 HydrophobicContact CG2-CG1 3.88Å
348	I	90.9	Very high	88.8	Confident	18 Å²	18	40 Å²	40	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-12.3	-178	60.3	174.4	0	0	0	112.9	K346 V356 L358 A369 Y421 T669 F672	K346-I348 PolarHBondContact O-N 3.49Å; I348-V356 HydrophobicContact CD1-CG1 4.05Å; I348-V356 HydrophobicContact CG1-CB 4.27Å; I348-V356 HydrophobicContact CG1-CG1 3.92Å; I348-V356 WeakPolarHBondContact CG1-O 3.25Å; I348-V356 PolarHBondContact N-O 2.93Å; I348-L358 HydrophobicContact CG2-CB 4.09Å; I348-A369 HydrophobicContact CD1-CB 4.39Å; I348-Y421 HydrophobicContact CD1-CD2 4.18Å; I348-Y421 HydrophobicContact CD1-CE2 3.96Å; I348-T669 HydrophobicContact CG2-CG2 3.73Å; I348-F672 HydrophobicContact CB-CD1 3.95Å; I348-F672 HydrophobicContact CB-CE1 4.23Å; I348-F672 HydrophobicContact CB-CG 4.19Å; I348-F672 HydrophobicContact CD1-CE1 4.17Å; I348-F672 HydrophobicContact CD1-CZ 4.24Å; I348-F672 HydrophobicContact CG2-CG 4.48Å
349	G	86.3	Confident	89.3	Confident	21 Å²	21	36.3 Å²	36.3	22%	0.216	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	157.1	174.3	0	0	0	0	0	112.5	T347 V356	T347-G349 WeakPolarHBondContact CG2-O 3.35Å; G349-V356 PolarHBondContact N-O 3.48Å; G349-V356 PolarHBondContact O-N 3.2Å
350	I	83.4	Confident	89.6	Confident	23 Å²	23	37.9 Å²	37.9	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.9	171.1	-76.9	168.2	0	0	0	107.8	T347 E355 V675 E676 R678	T347-I350 HydrophobicContact CG2-CG1 4.35Å; I350-E355 HydrophobicContact CG1-CB 4.35Å; I350-V675 HydrophobicContact CD1-CG1 3.31Å; I350-V675 HydrophobicContact CG1-CG1 3.69Å; I350-E676 WeakPolarHBondContact CD1-O 3.31Å; I350-R678 HydrophobicContact CD1-CG 4.03Å; I350-R678 VanDerWaalsContact CG2-NH2 3.29Å
351	G	74.9	Confident	89.7	Confident	29 Å²	29	35.1 Å²	35.1	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	-175	174.3	0	0	0	0	0	113.5	F353 G354 R678	G351-F353 VanDerWaalsContact C-N 3.25Å; G351-F353 PolarHBondContact O-N 2.77Å; G351-G354 PolarHBondContact N-O 3.17Å; G351-R678 PolarHBondContact O-NH1 2.95Å; G351-R678 PolarHBondContact O-NH2 3.08Å; G351-R678 VanDerWaalsContact O-NH2 3.09Å
352	A	72.1	Confident	89.8	Confident	27 Å²	27	37.4 Å²	37.4	22%	0.223	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.7	-176.9	0	0	0	0	0	115.6	K381 L543	A352-K381 PolarHBondContact O-NZ 3.34Å; A352-L543 HydrophobicContact CB-CD1 3.74Å
353	F	78.2	Confident	89.4	Confident	38 Å²	38	42.5 Å²	42.5	17%	0.167	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	4.2	-174.2	-41.8	-90.2	0	0	0	113.8	G351 L373 R374 D377 V378 K381 Q383 L543	G351-F353 VanDerWaalsContact C-N 3.25Å; G351-F353 PolarHBondContact O-N 2.77Å; F353-L373 HydrophobicContact CB-CB 4.41Å; F353-L373 HydrophobicContact CB-CD2 4.12Å; F353-L373 WeakPolarHBondContact O-CA 3.48Å; F353-R374 PolarHBondContact O-N 3.1Å; F353-D377 HydrophobicContact CB-CB 4.47Å; F353-D377 HydrophobicContact CD1-CB 4.28Å; F353-V378 HydrophobicContact CB-CG2 4.22Å; F353-V378 HydrophobicContact CD1-CG2 4.21Å; F353-V378 HydrophobicContact CG-CG2 4.31Å; F353-K381 HydrophobicContact CD1-CD 3.89Å; F353-K381 HydrophobicContact CE1-CB 4.12Å; F353-K381 HydrophobicContact CE1-CD 3.41Å; F353-K381 VanDerWaalsContact CE1-CD 3.41Å; F353-K381 HydrophobicContact CE1-CG 4.4Å; F353-K381 HydrophobicContact CZ-CD 4.39Å; F353-Q383 HydrophobicContact CE1-CB 4.21Å; F353-Q383 HydrophobicContact CE1-CG 3.69Å; F353-Q383 HydrophobicContact CZ-CB 4.26Å; F353-Q383 HydrophobicContact CZ-CG 3.67Å; F353-L543 HydrophobicContact CZ-CD1 4.48Å
354	G	84.7	Confident	89.1	Confident	2 Å²	2	40 Å²	40	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-143.6	-177.6	0	0	0	0	0	113.7	G351 V372 R678	G351-G354 PolarHBondContact N-O 3.17Å; G354-V372 VanDerWaalsContact CA-O 3.31Å; G354-V372 WeakPolarHBondContact CA-O 3.32Å; G354-R678 PolarHBondContact O-NH1 3.33Å
355	E	90.8	Very high	88.9	Confident	21 Å²	21	41.4 Å²	41.4	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.5	-173.1	62.9	167.8	174.5	0	0	112.9	K344 T347 I350 K371 V372	K344-E355 IonicContact NZ-OE1 3.83Å; K344-E355 PolarHBondContact NZ-OE1 2.89Å; K344-E355 IonicContact NZ-OE2 2.81Å; K344-E355 PolarHBondContact NZ-OE2 3.49Å; T347-E355 HydrophobicContact CG2-CB 4.21Å; T347-E355 WeakPolarHBondContact CG2-OE2 3.18Å; T347-E355 PolarHBondContact OG1-OE2 3.28Å; I350-E355 HydrophobicContact CG1-CB 4.35Å; E355-K371 WeakPolarHBondContact O-CA 3.45Å; E355-V372 PolarHBondContact N-O 3.25Å; E355-V372 PolarHBondContact O-N 2.82Å
356	V	92.8	Very high	88.7	Confident	35 Å²	35	39.5 Å²	39.5	21%	0.212	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.3	169.2	-172	0	0	0	0	108.3	I348 G349 A369 M370 K371	I348-V356 HydrophobicContact CD1-CG1 4.05Å; I348-V356 HydrophobicContact CG1-CB 4.27Å; I348-V356 HydrophobicContact CG1-CG1 3.92Å; I348-V356 WeakPolarHBondContact CG1-O 3.25Å; I348-V356 PolarHBondContact N-O 2.93Å; G349-V356 PolarHBondContact N-O 3.48Å; G349-V356 PolarHBondContact O-N 3.2Å; V356-A369 HydrophobicContact CG1-CB 4.33Å; V356-M370 CarbonylContact C-O 3.57Å; V356-M370 WeakPolarHBondContact CA-O 3.48Å; V356-K371 HydrophobicContact CG2-CB 4.11Å; V356-K371 HydrophobicContact CG2-CG 4.01Å
357	A	94.6	Very high	88.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.2	-179.4	0	0	0	0	0	112.5	K344 K346 V359 M370	K344-A357 HydrophobicContact CD-CB 4.2Å; K344-A357 HydrophobicContact CG-CB 3.95Å; K346-A357 CarbonylContact O-C 3.55Å; K346-A357 WeakPolarHBondContact O-CA 3.43Å; A357-V359 HydrophobicContact CB-CG1 4.43Å; A357-V359 PolarHBondContact O-N 3.49Å; A357-M370 PolarHBondContact N-O 3.17Å; A357-M370 PolarHBondContact O-N 2.9Å
358	L	95.5	Very high	88.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.4	162.9	175.6	62.2	0	0	0	108.3	I345 K346 I348 L367 Y421 T667 T669	I345-L358 HydrophobicContact CB-CD2 4.37Å; I345-L358 HydrophobicContact CB-CG 4.21Å; I345-L358 WeakPolarHBondContact CB-O 3.44Å; I345-L358 HydrophobicContact CD1-CD2 4.41Å; I345-L358 HydrophobicContact CD1-CG 4.16Å; I345-L358 HydrophobicContact CG2-CD2 4.14Å; I345-L358 PolarHBondContact N-O 2.86Å; K346-L358 PolarHBondContact N-O 2.93Å; K346-L358 PolarHBondContact O-N 3.3Å; I348-L358 HydrophobicContact CG2-CB 4.09Å; L358-L367 HydrophobicContact CD1-CB 4.23Å; L358-L367 HydrophobicContact CD1-CD2 4.34Å; L358-Y421 HydrophobicContact CD1-CD1 3.78Å; L358-Y421 HydrophobicContact CD1-CD2 3.85Å; L358-Y421 HydrophobicContact CD1-CE1 4.07Å; L358-Y421 HydrophobicContact CD1-CE2 4.15Å; L358-Y421 HydrophobicContact CD1-CG 3.67Å; L358-Y421 HydrophobicContact CD2-CE1 4.43Å; L358-T667 HydrophobicContact CD2-CG2 4.36Å; L358-T669 HydrophobicContact CD2-CG2 3.88Å
359	V	96	Very high	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.8	179.1	-56.7	0	0	0	0	111.7	F342 E343 A357 L367 F368 M370	F342-V359 HydrophobicContact CB-CB 4.27Å; F342-V359 HydrophobicContact CB-CG2 4.41Å; F342-V359 HydrophobicContact CD1-CB 4.47Å; F342-V359 HydrophobicContact CD1-CG2 3.79Å; F342-V359 HydrophobicContact CG-CG2 4.4Å; E343-V359 CarbonylContact O-C 3.58Å; E343-V359 WeakPolarHBondContact O-CA 3.21Å; E343-V359 WeakPolarHBondContact O-CB 3.48Å; A357-V359 HydrophobicContact CB-CG1 4.43Å; A357-V359 PolarHBondContact O-N 3.49Å; V359-L367 WeakPolarHBondContact O-CA 3.2Å; V359-F368 HydrophobicContact CG2-CB 3.93Å; V359-F368 PolarHBondContact N-O 3.21Å; V359-F368 PolarHBondContact O-N 2.96Å; V359-M370 HydrophobicContact CB-CB 4.44Å; V359-M370 HydrophobicContact CG1-CB 3.61Å; V359-M370 HydrophobicContact CG1-CE 3.8Å; V359-M370 HydrophobicContact CG1-CG 4.47Å; V359-M370 HydrophobicContact CG1-SD 4.16Å; V359-M370 HydrophobicContact CG2-CB 3.88Å
360	R	95.3	Very high	89.5	Confident	67 Å²	67	35.1 Å²	35.1	25%	0.253	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.3	167.1	-175.3	-175.4	-61.9	-97.7	12	109.4	F342 E343 I345 E365 T366 L367	F342-R360 CarbonylContact C-O 3.54Å; F342-R360 WeakPolarHBondContact CA-O 3.34Å; E343-R360 HydrophobicContact CB-CB 4.39Å; E343-R360 PolarHBondContact N-O 2.92Å; E343-R360 PolarHBondContact O-N 2.94Å; I345-R360 HydrophobicContact CD1-CB 3.97Å; R360-E365 WeakPolarHBondContact CG-O 3.31Å; R360-E365 IonicContact CZ-OE2 2.89Å; R360-E365 PolarHBondContact NH1-O 3.03Å; R360-E365 VanDerWaalsContact NH1-O 3.09Å; R360-E365 IonicContact NH1-OE2 2.1Å; R360-E365 PolarHBondContact NH1-OE2 2.83Å; R360-T366 WeakPolarHBondContact CA-O 3.45Å; R360-L367 HydrophobicContact CB-CD2 4.08Å; R360-L367 HydrophobicContact CG-CD2 4.45Å
361	K	93.4	Very high	90	Very high	16 Å²	16	35.1 Å²	35.1	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125	171.7	-164.7	-179.8	156.5	-84.1	0	108.8	F342 D363 T364 E365 T366 F368 Y407	F342-K361 HydrophobicContact CD1-CB 3.9Å; F342-K361 HydrophobicContact CD1-CG 4.04Å; F342-K361 HydrophobicContact CE1-CB 3.77Å; F342-K361 HydrophobicContact CE1-CD 3.96Å; F342-K361 HydrophobicContact CE1-CG 3.63Å; F342-K361 HydrophobicContact CZ-CD 4.21Å; F342-K361 HydrophobicContact CZ-CG 4.13Å; K361-D363 WeakPolarHBondContact CE-OD1 3.22Å; K361-D363 WeakPolarHBondContact CG-OD1 3.41Å; K361-D363 IonicContact NZ-OD1 2.8Å; K361-D363 PolarHBondContact NZ-OD1 3.47Å; K361-D363 IonicContact NZ-OD2 3.2Å; K361-D363 PolarHBondContact NZ-OD2 2.85Å; K361-D363 PolarHBondContact O-N 2.64Å; K361-T364 PolarHBondContact NZ-OG1 3.02Å; K361-E365 VanDerWaalsContact O-CA 3.24Å; K361-E365 WeakPolarHBondContact O-CA 3.36Å; K361-E365 PolarHBondContact O-N 3.09Å; K361-T366 PolarHBondContact N-O 3.36Å; K361-F368 HydrophobicContact CB-CD2 4.12Å; K361-F368 HydrophobicContact CB-CE2 3.81Å; K361-F368 HydrophobicContact CD-CE2 3.93Å; K361-F368 HydrophobicContact CG-CE2 4.47Å; K361-Y407 HydrophobicContact CD-CE2 4.31Å
362	K	92.1	Very high	90.9	Very high	124 Å²	124	34.1 Å²	34.1	54%	0.539	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.2	-161.5	-70.8	175.6	179.1	168.1	0	115.9	S340 M341 F342 E343	S340-K362 WeakPolarHBondContact O-CE 3.47Å; S340-K362 PolarHBondContact O-NZ 2.68Å; M341-K362 WeakPolarHBondContact O-CG 3.36Å; M341-K362 PolarHBondContact O-N 3.41Å; F342-K362 WeakPolarHBondContact O-CE 3.41Å; E343-K362 HydrophobicContact CB-CG 4.45Å
363	D	87.3	Confident	91.8	Very high	119 Å²	119	33.3 Å²	33.3	64%	0.636	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-29	-178.8	59.5	-23.1	0	0	0	113.4	K361	K361-D363 WeakPolarHBondContact CE-OD1 3.22Å; K361-D363 WeakPolarHBondContact CG-OD1 3.41Å; K361-D363 IonicContact NZ-OD1 2.8Å; K361-D363 PolarHBondContact NZ-OD1 3.47Å; K361-D363 IonicContact NZ-OD2 3.2Å; K361-D363 PolarHBondContact NZ-OD2 2.85Å; K361-D363 PolarHBondContact O-N 2.64Å
364	T	87.8	Confident	92.3	Very high	48 Å²	48	34.4 Å²	34.4	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.9	-177.7	49.9	0	0	0	0	113.9	K361 T366	K361-T364 PolarHBondContact NZ-OG1 3.02Å; T364-T366 PolarHBondContact O-N 3.05Å; T364-T366 PolarHBondContact OG1-OG1 3.23Å
365	E	90.1	Very high	92.5	Very high	128 Å²	128	34.6 Å²	34.6	60%	0.598	17%	0.167	S	C	*	.			trans	54	7.8	-172.4	-76.7	-144.1	-147.6	0	0	116.6	R360 K361	R360-E365 WeakPolarHBondContact CG-O 3.31Å; R360-E365 IonicContact CZ-OE2 2.89Å; R360-E365 PolarHBondContact NH1-O 3.03Å; R360-E365 VanDerWaalsContact NH1-O 3.09Å; R360-E365 IonicContact NH1-OE2 2.1Å; R360-E365 PolarHBondContact NH1-OE2 2.83Å; K361-E365 VanDerWaalsContact O-CA 3.24Å; K361-E365 WeakPolarHBondContact O-CA 3.36Å; K361-E365 PolarHBondContact O-N 3.09Å
366	T	90.7	Very high	92.3	Very high	24 Å²	24	36.6 Å²	36.6	15%	0.147	18%	0.176	C	C	.	.			trans	-73.3	138.8	-176.5	45.5	0	0	0	0	112.2	R360 K361 T364 F368	R360-T366 WeakPolarHBondContact CA-O 3.45Å; K361-T366 PolarHBondContact N-O 3.36Å; T364-T366 PolarHBondContact O-N 3.05Å; T364-T366 PolarHBondContact OG1-OG1 3.23Å; T366-F368 WeakPolarHBondContact OG1-CE2 3.29Å
367	L	94.3	Very high	91.9	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.9	178.5	-62.4	175.9	0	0	0	111.8	I345 L358 V359 R360 A666 T667 L714	I345-L367 HydrophobicContact CD1-CD2 3.48Å; I345-L367 VanDerWaalsContact CD1-CD2 3.48Å; L358-L367 HydrophobicContact CD1-CB 4.23Å; L358-L367 HydrophobicContact CD1-CD2 4.34Å; V359-L367 WeakPolarHBondContact O-CA 3.2Å; R360-L367 HydrophobicContact CB-CD2 4.08Å; R360-L367 HydrophobicContact CG-CD2 4.45Å; L367-A666 HydrophobicContact CD1-CB 3.78Å; L367-A666 VanDerWaalsContact CD1-O 3.25Å; L367-A666 WeakPolarHBondContact CD1-O 3.29Å; L367-T667 HydrophobicContact CD1-CG2 3.64Å; L367-T667 HydrophobicContact CD2-CG2 3.9Å; L367-T667 HydrophobicContact CG-CG2 4.44Å; L367-L714 HydrophobicContact CB-CD1 4.11Å; L367-L714 HydrophobicContact CD1-CD1 4.09Å
368	F	95.1	Very high	91.5	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.3	177.8	-61.9	-76.3	0	0	0	111.1	F342 V359 K361 T366 Y406 Y407 I418 M419	F342-F368 HydrophobicContact CE1-CD2 4.13Å; V359-F368 HydrophobicContact CG2-CB 3.93Å; V359-F368 PolarHBondContact N-O 3.21Å; V359-F368 PolarHBondContact O-N 2.96Å; K361-F368 HydrophobicContact CB-CD2 4.12Å; K361-F368 HydrophobicContact CB-CE2 3.81Å; K361-F368 HydrophobicContact CD-CE2 3.93Å; K361-F368 HydrophobicContact CG-CE2 4.47Å; T366-F368 WeakPolarHBondContact OG1-CE2 3.29Å; F368-Y406 AromaticContact CD1-CD2 3.81Å; F368-Y406 HydrophobicContact CD1-CD2 3.81Å; F368-Y406 HydrophobicContact CD1-CE2 4.13Å; F368-Y406 HydrophobicContact CD1-CG 4.3Å; F368-Y406 HydrophobicContact CE1-CD1 4.05Å; F368-Y406 AromaticContact CE1-CD2 3.56Å; F368-Y406 HydrophobicContact CE1-CD2 3.56Å; F368-Y406 HydrophobicContact CE1-CE1 4.29Å; F368-Y406 AromaticContact CE1-CE2 3.83Å; F368-Y406 HydrophobicContact CE1-CE2 3.83Å; F368-Y406 AromaticContact CE1-CG 3.68Å; F368-Y406 HydrophobicContact CE1-CG 3.68Å; F368-Y407 HydrophobicContact CZ-CE2 4.21Å; F368-I418 HydrophobicContact CB-CG2 3.58Å; F368-I418 HydrophobicContact CD1-CG2 3.81Å; F368-I418 HydrophobicContact CD2-CG2 3.93Å; F368-I418 HydrophobicContact CE1-CG2 4.45Å; F368-I418 HydrophobicContact CG-CG2 3.51Å; F368-M419 WeakPolarHBondContact CA-O 3.4Å; F368-M419 WeakPolarHBondContact CB-O 3.4Å
369	A	95.3	Very high	91	Very high	8 Å²	8	38.9 Å²	38.9	7%	0.066	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.1	162.6	0	0	0	0	0	109.4	I348 V356 M419	I348-A369 HydrophobicContact CD1-CB 4.39Å; V356-A369 HydrophobicContact CG1-CB 4.33Å; A369-M419 HydrophobicContact CB-CB 4.46Å; A369-M419 HydrophobicContact CB-CE 4.5Å; A369-M419 PolarHBondContact N-O 3.37Å; A369-M419 PolarHBondContact O-N 3.12Å
370	M	95	Very high	90.3	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.7	176.6	-178.9	171.1	77.4	0	0	110.2	V356 A357 V359 V372 F416 F417 I418	V356-M370 CarbonylContact C-O 3.57Å; V356-M370 WeakPolarHBondContact CA-O 3.48Å; A357-M370 PolarHBondContact N-O 3.17Å; A357-M370 PolarHBondContact O-N 2.9Å; V359-M370 HydrophobicContact CB-CB 4.44Å; V359-M370 HydrophobicContact CG1-CB 3.61Å; V359-M370 HydrophobicContact CG1-CE 3.8Å; V359-M370 HydrophobicContact CG1-CG 4.47Å; V359-M370 HydrophobicContact CG1-SD 4.16Å; V359-M370 HydrophobicContact CG2-CB 3.88Å; M370-V372 HydrophobicContact CE-CG2 3.82Å; M370-V372 HydrophobicContact CG-CG2 3.91Å; M370-V372 HydrophobicContact SD-CG2 4.31Å; M370-F416 HydrophobicContact CG-CD1 4.36Å; M370-F416 HydrophobicContact SD-CD1 3.92Å; M370-F416 HydrophobicContact SD-CE1 4.49Å; M370-F417 CarbonylContact C-O 3.49Å; M370-F417 VanDerWaalsContact CA-O 3.29Å; M370-F417 WeakPolarHBondContact CA-O 3.49Å; M370-I418 HydrophobicContact CB-CD1 3.92Å; M370-I418 HydrophobicContact CG-CD1 3.66Å; M370-I418 HydrophobicContact SD-CD1 3.95Å
371	K	93.5	Very high	89.5	Confident	23 Å²	23	46.1 Å²	46.1	10%	0.1	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.9	169.6	-176	-177.9	-160.3	-170.6	0	108.2	E355 V356 L373 E390 F416 F417 M419 D483	E355-K371 WeakPolarHBondContact O-CA 3.45Å; V356-K371 HydrophobicContact CG2-CB 4.11Å; V356-K371 HydrophobicContact CG2-CG 4.01Å; K371-L373 HydrophobicContact CD-CD2 4.38Å; K371-L373 HydrophobicContact CG-CD2 4.04Å; K371-E390 IonicContact NZ-OE1 2.77Å; K371-E390 PolarHBondContact NZ-OE1 2.93Å; K371-E390 IonicContact NZ-OE2 3.62Å; K371-E390 PolarHBondContact NZ-OE2 2.96Å; K371-F416 WeakPolarHBondContact O-CA 3.23Å; K371-F417 HydrophobicContact CB-CB 4.24Å; K371-F417 HydrophobicContact CB-CD2 4.4Å; K371-F417 HydrophobicContact CD-CD2 4.38Å; K371-F417 HydrophobicContact CG-CD2 4.49Å; K371-F417 PolarHBondContact N-O 2.85Å; K371-F417 PolarHBondContact O-N 3.18Å; K371-M419 HydrophobicContact CB-CE 3.69Å; K371-D483 IonicContact NZ-OD1 3.72Å; K371-D483 PolarHBondContact NZ-OD1 2.81Å
372	V	93.5	Very high	88.9	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.1	179.2	-172	0	0	0	0	108.5	G354 E355 M370 C414 L415 F416 M681	G354-V372 VanDerWaalsContact CA-O 3.31Å; G354-V372 WeakPolarHBondContact CA-O 3.32Å; E355-V372 PolarHBondContact N-O 3.25Å; E355-V372 PolarHBondContact O-N 2.82Å; M370-V372 HydrophobicContact CE-CG2 3.82Å; M370-V372 HydrophobicContact CG-CG2 3.91Å; M370-V372 HydrophobicContact SD-CG2 4.31Å; V372-C414 HydrophobicContact CG1-CB 4Å; V372-L415 WeakPolarHBondContact CA-O 3.31Å; V372-F416 HydrophobicContact CG1-CD1 4.22Å; V372-F416 HydrophobicContact CG1-CE1 3.9Å; V372-F416 HydrophobicContact CG1-CZ 4.39Å; V372-F416 HydrophobicContact CG2-CD1 3.89Å; V372-F416 HydrophobicContact CG2-CE1 4.01Å; V372-M681 HydrophobicContact CG1-CE 4.44Å
373	L	91.1	Very high	88.4	Confident	9 Å²	9	45 Å²	45	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	175.5	-48.5	179.3	0	0	0	109.9	F353 K371 K375 V378 V387 C414 L415 F417	F353-L373 HydrophobicContact CB-CB 4.41Å; F353-L373 HydrophobicContact CB-CD2 4.12Å; F353-L373 WeakPolarHBondContact O-CA 3.48Å; K371-L373 HydrophobicContact CD-CD2 4.38Å; K371-L373 HydrophobicContact CG-CD2 4.04Å; L373-K375 PolarHBondContact O-N 2.81Å; L373-V378 HydrophobicContact CB-CG2 4.11Å; L373-V387 HydrophobicContact CD1-CG1 4.01Å; L373-V387 HydrophobicContact CD1-CG2 3.78Å; L373-C414 CarbonylContact O-C 3.57Å; L373-C414 WeakPolarHBondContact O-CA 3.49Å; L373-L415 HydrophobicContact CB-CB 4.39Å; L373-L415 PolarHBondContact N-O 3.39Å; L373-L415 PolarHBondContact O-N 3.34Å; L373-F417 HydrophobicContact CD1-CE2 3.77Å; L373-F417 HydrophobicContact CG-CE2 4.34Å
374	R	89.6	Confident	88.2	Confident	61 Å²	61	39.6 Å²	39.6	23%	0.23	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.6	174.5	-58.9	-168.6	-169.9	-174.2	8.7	110	F353 F376 D377 V378 D680 M681	F353-R374 PolarHBondContact O-N 3.1Å; R374-F376 PolarHBondContact O-N 2.89Å; R374-D377 HydrophobicContact CB-CB 4.26Å; R374-D377 WeakPolarHBondContact CD-OD2 3.34Å; R374-D377 PolarHBondContact O-N 3.48Å; R374-D377 VanDerWaalsContact O-N 3.17Å; R374-V378 WeakPolarHBondContact O-CG2 3.39Å; R374-V378 PolarHBondContact O-N 2.24Å; R374-V378 VanDerWaalsContact O-N 3.13Å; R374-D680 PolarHBondContact NH2-O 3.18Å; R374-M681 HydrophobicContact CG-CE 4.41Å; R374-M681 PolarHBondContact NE-SD 2.91Å; R374-M681 PolarHBondContact NH2-SD 2.79Å
375	K	89.2	Confident	87.8	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-55.5	-40.9	178.2	-74.8	-176.8	167.6	-174.7	0	112	L373 V378 I379 Q410 D411 D413 L415 D692 F695	L373-K375 PolarHBondContact O-N 2.81Å; K375-V378 PolarHBondContact O-N 3.33Å; K375-I379 PolarHBondContact O-N 2.69Å; K375-Q410 VanDerWaalsContact CE-OE1 3.24Å; K375-D411 WeakPolarHBondContact CE-O 3.32Å; K375-D411 PolarHBondContact NZ-O 2.89Å; K375-D413 WeakPolarHBondContact CB-O 3.37Å; K375-D413 PolarHBondContact N-O 2.86Å; K375-L415 HydrophobicContact CD-CD2 4.37Å; K375-L415 VanDerWaalsContact CE-CD2 3.47Å; K375-L415 HydrophobicContact CG-CD2 3.99Å; K375-L415 HydrophobicContact CG-CG 3.9Å; K375-D692 IonicContact NZ-OD1 2.73Å; K375-D692 PolarHBondContact NZ-OD1 3.4Å; K375-F695 HydrophobicContact CB-CD2 4.48Å; K375-F695 HydrophobicContact CB-CE2 3.88Å; K375-F695 HydrophobicContact CD-CD2 3.96Å; K375-F695 HydrophobicContact CD-CE2 4.2Å; K375-F695 HydrophobicContact CG-CD2 3.89Å; K375-F695 HydrophobicContact CG-CE2 3.7Å
376	F	85.8	Confident	87.3	Confident	63 Å²	63	32.3 Å²	32.3	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-56.9	-50.7	177	-177.8	-89.3	0	0	0	112.1	R374 V378 I379 K380 I690	R374-F376 PolarHBondContact O-N 2.89Å; F376-V378 PolarHBondContact O-N 3.4Å; F376-I379 PolarHBondContact O-N 2.1Å; F376-K380 HydrophobicContact CD1-CD 4.44Å; F376-K380 HydrophobicContact CE1-CD 3.67Å; F376-K380 HydrophobicContact CZ-CD 4.08Å; F376-K380 WeakPolarHBondContact O-CB 3.33Å; F376-K380 PolarHBondContact O-N 3.47Å; F376-I690 HydrophobicContact CB-CD1 4.39Å; F376-I690 HydrophobicContact CD2-CD1 3.55Å; F376-I690 HydrophobicContact CE2-CD1 4.24Å; F376-I690 HydrophobicContact CG-CD1 4.33Å
377	D	85.9	Confident	87.1	Confident	39 Å²	39	31.5 Å²	31.5	21%	0.209	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-36	-178.2	-69	-35.1	0	0	0	112.4	F353 R374 K381	F353-D377 HydrophobicContact CB-CB 4.47Å; F353-D377 HydrophobicContact CD1-CB 4.28Å; R374-D377 HydrophobicContact CB-CB 4.26Å; R374-D377 WeakPolarHBondContact CD-OD2 3.34Å; R374-D377 PolarHBondContact O-N 3.48Å; R374-D377 VanDerWaalsContact O-N 3.17Å; D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 WeakPolarHBondContact O-CD 3.28Å; D377-K381 WeakPolarHBondContact O-CG 3.41Å; D377-K381 PolarHBondContact O-N 3.24Å
378	V	85.3	Confident	86.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-46.3	177	173.2	0	0	0	0	110.9	F353 L373 R374 K375 F376 N382 Q383 A384 V387 F695	F353-V378 HydrophobicContact CB-CG2 4.22Å; F353-V378 HydrophobicContact CD1-CG2 4.21Å; F353-V378 HydrophobicContact CG-CG2 4.31Å; L373-V378 HydrophobicContact CB-CG2 4.11Å; R374-V378 WeakPolarHBondContact O-CG2 3.39Å; R374-V378 PolarHBondContact O-N 2.24Å; R374-V378 VanDerWaalsContact O-N 3.13Å; K375-V378 PolarHBondContact O-N 3.33Å; F376-V378 PolarHBondContact O-N 3.4Å; V378-N382 PolarHBondContact O-N 2.87Å; V378-Q383 HydrophobicContact CG1-CB 4.3Å; V378-Q383 PolarHBondContact O-N 3Å; V378-A384 HydrophobicContact CG1-CB 4.48Å; V378-V387 HydrophobicContact CG1-CB 4.34Å; V378-V387 HydrophobicContact CG1-CG2 3.7Å; V378-V387 HydrophobicContact CG2-CG2 4.03Å; V378-F695 HydrophobicContact CB-CZ 4.11Å; V378-F695 HydrophobicContact CG1-CE1 3.91Å; V378-F695 HydrophobicContact CG1-CZ 3.68Å
379	I	83.9	Confident	85.9	Confident	45 Å²	45	31.7 Å²	31.7	23%	0.231	15%	0.15	C	C	.	.	H	α-helix	trans	-74.4	-43.4	-178.9	-72.6	173.4	0	0	0	111.3	K375 F376 K381 N382 I690 A694 F695	K375-I379 PolarHBondContact O-N 2.69Å; F376-I379 PolarHBondContact O-N 2.1Å; I379-K381 PolarHBondContact O-N 3.36Å; I379-N382 PolarHBondContact O-N 3.32Å; I379-I690 HydrophobicContact CB-CG2 4.28Å; I379-I690 HydrophobicContact CD1-CG2 3.27Å; I379-I690 HydrophobicContact CG1-CG2 4.33Å; I379-I690 HydrophobicContact CG2-CG2 4.1Å; I379-A694 HydrophobicContact CD1-CB 4.31Å; I379-F695 HydrophobicContact CD1-CD2 4.29Å; I379-F695 HydrophobicContact CD1-CE2 3.42Å; I379-F695 VanDerWaalsContact CD1-CE2 3.42Å; I379-F695 HydrophobicContact CD1-CZ 3.84Å; I379-F695 HydrophobicContact CG1-CE2 3.87Å; I379-F695 HydrophobicContact CG1-CZ 3.76Å
380	K	82.5	Confident	85.5	Confident	151 Å²	151	31.4 Å²	31.4	66%	0.657	15%	0.148	S	C	*	.	H	α-helix	trans	-57.3	-25.1	176.9	-178.4	174.1	177.3	-179.4	0	113.4	F376	F376-K380 HydrophobicContact CD1-CD 4.44Å; F376-K380 HydrophobicContact CE1-CD 3.67Å; F376-K380 HydrophobicContact CZ-CD 4.08Å; F376-K380 WeakPolarHBondContact O-CB 3.33Å; F376-K380 PolarHBondContact O-N 3.47Å
381	K	78.2	Confident	85.2	Confident	68 Å²	68	31.5 Å²	31.5	30%	0.296	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	9.5	178.6	-63.9	169.1	177.7	174.7	0	113.2	A352 F353 D377 I379 Q383 L543	A352-K381 PolarHBondContact O-NZ 3.34Å; F353-K381 HydrophobicContact CD1-CD 3.89Å; F353-K381 HydrophobicContact CE1-CB 4.12Å; F353-K381 HydrophobicContact CE1-CD 3.41Å; F353-K381 VanDerWaalsContact CE1-CD 3.41Å; F353-K381 HydrophobicContact CE1-CG 4.4Å; F353-K381 HydrophobicContact CZ-CD 4.39Å; D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 WeakPolarHBondContact O-CD 3.28Å; D377-K381 WeakPolarHBondContact O-CG 3.41Å; D377-K381 PolarHBondContact O-N 3.24Å; I379-K381 PolarHBondContact O-N 3.36Å; K381-Q383 VanDerWaalsContact C-N 3.27Å; K381-Q383 HydrophobicContact CB-CG 3.91Å; K381-Q383 WeakPolarHBondContact O-CG 3.5Å; K381-Q383 PolarHBondContact O-N 2.92Å; K381-Q383 PolarHBondContact O-NE2 3.35Å; K381-L543 HydrophobicContact CD-CD1 3.84Å; K381-L543 VanDerWaalsContact NZ-CD1 3.28Å
382	N	80.3	Confident	84.9	Confident	108 Å²	108	30.5 Å²	30.5	58%	0.578	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	28.4	-178.6	-64.6	-37.5	0	0	0	115.6	V378 I379	V378-N382 PolarHBondContact O-N 2.87Å; I379-N382 PolarHBondContact O-N 3.32Å
383	Q	82.9	Confident	84.5	Confident	7 Å²	7	30.1 Å²	30.1	3%	0.033	14%	0.14	C	C	.	.			trans	-95.7	12.6	-174	-55	-64.3	-74.9	0	0	114.2	F353 V378 K381 A385 H386 V387	F353-Q383 HydrophobicContact CE1-CB 4.21Å; F353-Q383 HydrophobicContact CE1-CG 3.69Å; F353-Q383 HydrophobicContact CZ-CB 4.26Å; F353-Q383 HydrophobicContact CZ-CG 3.67Å; V378-Q383 HydrophobicContact CG1-CB 4.3Å; V378-Q383 PolarHBondContact O-N 3Å; K381-Q383 VanDerWaalsContact C-N 3.27Å; K381-Q383 HydrophobicContact CB-CG 3.91Å; K381-Q383 WeakPolarHBondContact O-CG 3.5Å; K381-Q383 PolarHBondContact O-N 2.92Å; K381-Q383 PolarHBondContact O-NE2 3.35Å; Q383-A385 VanDerWaalsContact C-N 3.3Å; Q383-A385 PolarHBondContact O-N 3.02Å; Q383-H386 PolarHBondContact O-N 3.48Å; Q383-H386 VanDerWaalsContact O-N 3.17Å; Q383-H386 PolarHBondContact OE1-ND1 3.25Å; Q383-V387 PolarHBondContact O-N 2.61Å
384	A	83.1	Confident	84.4	Confident	6 Å²	6	29.7 Å²	29.7	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-38.7	-177.4	0	0	0	0	0	112.9	V378 H386 V387 K388 Y499 A694 F695	V378-A384 HydrophobicContact CG1-CB 4.48Å; A384-H386 PolarHBondContact O-N 3.41Å; A384-V387 PolarHBondContact O-N 3.3Å; A384-K388 PolarHBondContact O-N 3.06Å; A384-Y499 HydrophobicContact CB-CD1 4.33Å; A384-Y499 HydrophobicContact CB-CG 4.46Å; A384-A694 HydrophobicContact CB-CB 4.07Å; A384-F695 HydrophobicContact CB-CE1 4.08Å; A384-F695 HydrophobicContact CB-CZ 4.46Å
385	A	78.1	Confident	84.3	Confident	2 Å²	2	27.6 Å²	27.6	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-42.9	175.5	0	0	0	0	0	112.3	Q383 K388 A389 Y499	Q383-A385 VanDerWaalsContact C-N 3.3Å; Q383-A385 PolarHBondContact O-N 3.02Å; A385-K388 PolarHBondContact O-N 3.02Å; A385-A389 PolarHBondContact O-N 3.37Å; A385-Y499 HydrophobicContact CB-CD2 3.8Å; A385-Y499 HydrophobicContact CB-CE2 3.64Å
386	H	79.3	Confident	84	Confident	21 Å²	21	29.7 Å²	29.7	10%	0.097	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-41.6	178.4	-63.4	115.5	0	0	0	112.7	Q383 A384 K388 A389 E390 R464 G485	Q383-H386 PolarHBondContact O-N 3.48Å; Q383-H386 VanDerWaalsContact O-N 3.17Å; Q383-H386 PolarHBondContact OE1-ND1 3.25Å; A384-H386 PolarHBondContact O-N 3.41Å; H386-K388 VanDerWaalsContact C-N 3.27Å; H386-K388 PolarHBondContact O-N 2.64Å; H386-A389 WeakPolarHBondContact O-CB 3.5Å; H386-A389 PolarHBondContact O-N 2.69Å; H386-A389 VanDerWaalsContact O-N 3.15Å; H386-E390 PolarHBondContact O-N 3.21Å; H386-R464 PolarHBondContact NE2-NH2 3.46Å; H386-G485 WeakPolarHBondContact CB-O 3.33Å
387	V	86.4	Confident	84	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-34	175.6	174.1	0	0	0	0	111.5	L373 V378 Q383 A384 R391 L415 F417 F698	L373-V387 HydrophobicContact CD1-CG1 4.01Å; L373-V387 HydrophobicContact CD1-CG2 3.78Å; V378-V387 HydrophobicContact CG1-CB 4.34Å; V378-V387 HydrophobicContact CG1-CG2 3.7Å; V378-V387 HydrophobicContact CG2-CG2 4.03Å; Q383-V387 PolarHBondContact O-N 2.61Å; A384-V387 PolarHBondContact O-N 3.3Å; V387-R391 PolarHBondContact O-N 3.07Å; V387-R391 VanDerWaalsContact O-N 3.1Å; V387-L415 HydrophobicContact CG1-CD1 3.7Å; V387-F417 HydrophobicContact CG1-CE2 4.35Å; V387-F417 HydrophobicContact CG1-CZ 4.05Å; V387-F698 HydrophobicContact CG1-CD2 4.48Å; V387-F698 HydrophobicContact CG1-CE2 3.86Å
388	K	83.3	Confident	83.9	Confident	16 Å²	16	29.1 Å²	29.1	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-41.5	171.5	-168	175.3	178.5	176.4	0	111.8	A384 A385 H386 E390 R391 D392 Y499	A384-K388 PolarHBondContact O-N 3.06Å; A385-K388 PolarHBondContact O-N 3.02Å; H386-K388 VanDerWaalsContact C-N 3.27Å; H386-K388 PolarHBondContact O-N 2.64Å; K388-E390 PolarHBondContact O-N 2.9Å; K388-R391 WeakPolarHBondContact O-CB 3.47Å; K388-R391 PolarHBondContact O-N 3.36Å; K388-D392 WeakPolarHBondContact O-CB 3.17Å; K388-D392 PolarHBondContact O-N 2.99Å; K388-D392 VanDerWaalsContact O-OD1 3.12Å; K388-Y499 WeakPolarHBondContact CD-OH 3.5Å
389	A	81.7	Confident	84.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-44.1	174.8	0	0	0	0	0	112.3	A385 H386 D392 I393 C487 H494	A385-A389 PolarHBondContact O-N 3.37Å; H386-A389 WeakPolarHBondContact O-CB 3.5Å; H386-A389 PolarHBondContact O-N 2.69Å; H386-A389 VanDerWaalsContact O-N 3.15Å; A389-D392 PolarHBondContact O-N 2.84Å; A389-I393 WeakPolarHBondContact O-CG2 3.1Å; A389-I393 PolarHBondContact O-N 2.86Å; A389-C487 WeakPolarHBondContact CB-O 3.4Å; A389-H494 VanDerWaalsContact CA-CD2 3.48Å; A389-H494 WeakPolarHBondContact CA-CD2 3.47Å; A389-H494 HydrophobicContact CB-CB 4.23Å
390	E	87.9	Confident	84.5	Confident	3 Å²	3	32.9 Å²	32.9	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-45.7	174.1	175.4	169.2	-153.2	0	0	111.6	K371 H386 K388 D392 I393 L394 F417 F484	K371-E390 IonicContact NZ-OE1 2.77Å; K371-E390 PolarHBondContact NZ-OE1 2.93Å; K371-E390 IonicContact NZ-OE2 3.62Å; K371-E390 PolarHBondContact NZ-OE2 2.96Å; H386-E390 PolarHBondContact O-N 3.21Å; K388-E390 PolarHBondContact O-N 2.9Å; E390-D392 PolarHBondContact O-N 3.49Å; E390-I393 WeakPolarHBondContact O-CG2 3.21Å; E390-L394 HydrophobicContact CG-CD1 3.65Å; E390-L394 HydrophobicContact CG-CG 4.36Å; E390-L394 WeakPolarHBondContact O-CB 3.12Å; E390-L394 WeakPolarHBondContact O-CD1 3.4Å; E390-L394 WeakPolarHBondContact O-CG 3.29Å; E390-L394 PolarHBondContact O-N 2.78Å; E390-L394 VanDerWaalsContact O-N 3.11Å; E390-F417 HydrophobicContact CG-CE1 4.19Å; E390-F417 HydrophobicContact CG-CZ 4.25Å; E390-F484 HydrophobicContact CB-CB 4.29Å; E390-F484 HydrophobicContact CG-CB 4.24Å
391	R	88.6	Confident	85.1	Confident	19 Å²	19	27.6 Å²	27.6	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-47	174.4	-172	-145.7	71.9	136.5	3.7	111.8	V387 K388 S395 F417 E697 F698	V387-R391 PolarHBondContact O-N 3.07Å; V387-R391 VanDerWaalsContact O-N 3.1Å; K388-R391 WeakPolarHBondContact O-CB 3.47Å; K388-R391 PolarHBondContact O-N 3.36Å; R391-S395 WeakPolarHBondContact O-CB 3.14Å; R391-S395 PolarHBondContact O-N 2.88Å; R391-S395 PolarHBondContact O-OG 2.73Å; R391-F417 HydrophobicContact CB-CE1 3.91Å; R391-F417 HydrophobicContact CB-CZ 4.49Å; R391-F417 HydrophobicContact CG-CE1 4.41Å; R391-E697 PolarHBondContact NH1-O 2.83Å; R391-F698 HydrophobicContact CB-CE2 4.39Å; R391-F698 HydrophobicContact CG-CE2 4.49Å
392	D	85.8	Confident	85.8	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-54.3	-175.2	-81.6	32.4	0	0	0	111.1	K388 A389 E390 L394 S395 E396 F461 R491 H494	K388-D392 WeakPolarHBondContact O-CB 3.17Å; K388-D392 PolarHBondContact O-N 2.99Å; K388-D392 VanDerWaalsContact O-OD1 3.12Å; A389-D392 PolarHBondContact O-N 2.84Å; E390-D392 PolarHBondContact O-N 3.49Å; D392-L394 PolarHBondContact O-N 3.37Å; D392-S395 PolarHBondContact O-N 3.47Å; D392-S395 PolarHBondContact O-OG 2.82Å; D392-E396 WeakPolarHBondContact O-CB 3.34Å; D392-E396 WeakPolarHBondContact O-CG 3.39Å; D392-E396 PolarHBondContact O-N 3.41Å; D392-F461 HydrophobicContact CB-CE1 4.49Å; D392-F461 HydrophobicContact CB-CZ 4.2Å; D392-R491 IonicContact OD2-CZ 3.49Å; D392-R491 IonicContact OD2-NH1 3.13Å; D392-R491 PolarHBondContact OD2-NH1 2.76Å; D392-H494 IonicContact OD2-NE2 2.76Å
393	I	85.7	Confident	86.5	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-44.3	179.2	-170.6	174.9	0	0	0	112.1	A389 E390 S395 E396 A397 V456 L459 F461 F484	A389-I393 WeakPolarHBondContact O-CG2 3.1Å; A389-I393 PolarHBondContact O-N 2.86Å; E390-I393 WeakPolarHBondContact O-CG2 3.21Å; I393-S395 VanDerWaalsContact C-N 3.26Å; I393-S395 PolarHBondContact O-N 3.06Å; I393-E396 PolarHBondContact O-N 3.09Å; I393-A397 WeakPolarHBondContact O-CB 3.26Å; I393-A397 PolarHBondContact O-N 2.68Å; I393-V456 HydrophobicContact CD1-CB 4.49Å; I393-V456 HydrophobicContact CD1-CG1 3.74Å; I393-V456 HydrophobicContact CD1-CG2 4.26Å; I393-L459 HydrophobicContact CG1-CD1 4.45Å; I393-F461 HydrophobicContact CB-CD1 3.95Å; I393-F461 HydrophobicContact CB-CD2 4.18Å; I393-F461 HydrophobicContact CB-CE1 3.81Å; I393-F461 HydrophobicContact CB-CE2 4.07Å; I393-F461 HydrophobicContact CB-CG 4.14Å; I393-F461 HydrophobicContact CB-CZ 3.88Å; I393-F461 HydrophobicContact CD1-CB 3.81Å; I393-F461 HydrophobicContact CD1-CD1 4.29Å; I393-F461 HydrophobicContact CD1-CD2 4.13Å; I393-F461 HydrophobicContact CD1-CG 3.84Å; I393-F461 HydrophobicContact CG1-CD1 4.41Å; I393-F461 HydrophobicContact CG1-CD2 3.99Å; I393-F461 HydrophobicContact CG1-CE2 4.23Å; I393-F461 HydrophobicContact CG1-CG 4.1Å; I393-F484 HydrophobicContact CD1-CD1 3.65Å; I393-F484 HydrophobicContact CD1-CE1 3.84Å; I393-F484 HydrophobicContact CD1-CG 4.26Å; I393-F484 HydrophobicContact CG2-CB 3.54Å; I393-F484 HydrophobicContact CG2-CD1 4.07Å; I393-F484 HydrophobicContact CG2-CD2 4.04Å; I393-F484 HydrophobicContact CG2-CG 3.6Å
394	L	89.1	Confident	86.9	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-29.5	178.9	-74.1	176.9	0	0	0	112.7	E390 D392 V402 V403 L405 F417 M419 F484 R702	E390-L394 HydrophobicContact CG-CD1 3.65Å; E390-L394 HydrophobicContact CG-CG 4.36Å; E390-L394 WeakPolarHBondContact O-CB 3.12Å; E390-L394 WeakPolarHBondContact O-CD1 3.4Å; E390-L394 WeakPolarHBondContact O-CG 3.29Å; E390-L394 PolarHBondContact O-N 2.78Å; E390-L394 VanDerWaalsContact O-N 3.11Å; D392-L394 PolarHBondContact O-N 3.37Å; L394-V402 HydrophobicContact CD2-CG1 3.96Å; L394-V403 VanDerWaalsContact CD2-O 3.27Å; L394-V403 WeakPolarHBondContact CD2-O 3.19Å; L394-L405 HydrophobicContact CB-CB 3.77Å; L394-L405 HydrophobicContact CB-CD2 3.89Å; L394-L405 HydrophobicContact CB-CG 4.4Å; L394-F417 HydrophobicContact CD1-CD1 4.32Å; L394-M419 HydrophobicContact CD1-SD 4.23Å; L394-F484 HydrophobicContact CD2-CD2 3.61Å; L394-F484 HydrophobicContact CD2-CE2 3.58Å; L394-F484 HydrophobicContact CG-CD2 3.91Å; L394-F484 HydrophobicContact CG-CE2 4.37Å; L394-R702 PolarHBondContact O-NH2 2.89Å
395	S	86.6	Confident	87.4	Confident	17 Å²	17	20.5 Å²	20.5	12%	0.119	10%	0.1	C	C	.	.	H	α-helix	trans	-78.5	-32.2	176.1	75.8	0	0	0	0	113.4	R391 D392 I393	R391-S395 WeakPolarHBondContact O-CB 3.14Å; R391-S395 PolarHBondContact O-N 2.88Å; R391-S395 PolarHBondContact O-OG 2.73Å; D392-S395 PolarHBondContact O-N 3.47Å; D392-S395 PolarHBondContact O-OG 2.82Å; I393-S395 VanDerWaalsContact C-N 3.26Å; I393-S395 PolarHBondContact O-N 3.06Å
396	E	84.4	Confident	88	Confident	49 Å²	49	20.5 Å²	20.5	23%	0.229	10%	0.1	C	C	.	.	H	α-helix	trans	-91.5	-25.3	-177.2	-68.5	-178	-176.1	0	0	113	K289 D392 I393 D398 R491	K289-E396 IonicContact NZ-OE1 3.71Å; K289-E396 PolarHBondContact NZ-OE1 3.13Å; D392-E396 WeakPolarHBondContact O-CB 3.34Å; D392-E396 WeakPolarHBondContact O-CG 3.39Å; D392-E396 PolarHBondContact O-N 3.41Å; I393-E396 PolarHBondContact O-N 3.09Å; E396-D398 PolarHBondContact O-N 2.99Å; E396-R491 VanDerWaalsContact CD-NH2 3.29Å; E396-R491 IonicContact OE1-CZ 3.96Å; E396-R491 VanDerWaalsContact OE1-CZ 3.25Å; E396-R491 IonicContact OE1-NH1 3.5Å; E396-R491 PolarHBondContact OE1-NH1 2.9Å; E396-R491 IonicContact OE1-NH2 2.84Å; E396-R491 PolarHBondContact OE1-NH2 3.17Å; E396-R491 IonicContact OE2-CZ 2.8Å; E396-R491 IonicContact OE2-NH1 3.07Å; E396-R491 IonicContact OE2-NH2 3.99Å; E396-R491 PolarHBondContact OE2-NH2 3.47Å
397	A	85.6	Confident	88.5	Confident	4 Å²	4	20 Å²	20	3%	0.033	10%	0.097	C	C	.	.			trans	-68.8	110.2	170.5	0	0	0	0	0	110.6	I393 V402 L459 R702	I393-A397 WeakPolarHBondContact O-CB 3.26Å; I393-A397 PolarHBondContact O-N 2.68Å; A397-V402 HydrophobicContact CB-CB 3.8Å; A397-V402 HydrophobicContact CB-CG1 3.68Å; A397-V402 HydrophobicContact CB-CG2 4.07Å; A397-L459 HydrophobicContact CB-CD1 3.91Å; A397-R702 PolarHBondContact O-NH1 3.13Å; A397-R702 PolarHBondContact O-NH2 2.77Å
398	D	83.9	Confident	88.7	Confident	86 Å²	86	19.7 Å²	19.7	46%	0.46	10%	0.095	S	C	.	.			trans	-121.9	61.2	165.3	-157.3	46.9	0	0	0	109.1	E396 K404 R702	E396-D398 PolarHBondContact O-N 2.99Å; D398-K404 IonicContact OD1-NZ 3.24Å; D398-R702 IonicContact OD1-CZ 3.86Å; D398-R702 IonicContact OD1-NH1 2.77Å; D398-R702 PolarHBondContact OD1-NH1 3.2Å
399	N	88.5	Confident	89.1	Confident	42 Å²	42	19.1 Å²	19.1	23%	0.225	9%	0.093	C	C	.	.	S	Bend	trans	-133.5	167.4	178.8	71.7	51.8	0	0	0	110.2	W401 V402	N399-W401 VanDerWaalsContact C-N 3.32Å; N399-W401 PolarHBondContact O-N 3.29Å; N399-W401 WeakPolarHBondContact OD1-CA 3.22Å; N399-W401 WeakPolarHBondContact OD1-CB 3.42Å; N399-W401 PolarHBondContact OD1-N 3.21Å; N399-V402 PolarHBondContact OD1-N 2.84Å; N399-V402 VanDerWaalsContact OD1-N 3.12Å
400	E	92.1	Very high	89.5	Confident	82 Å²	82	21 Å²	21	38%	0.383	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.9	-177.4	-58.2	-52.3	136.4	0	0	113.8	K30 K480 R653	K30-E400 IonicContact NZ-OE1 3.68Å; K30-E400 PolarHBondContact NZ-OE1 3.11Å; E400-K480 WeakPolarHBondContact O-CE 3.38Å; E400-K480 VanDerWaalsContact O-CG 3.28Å; E400-K480 WeakPolarHBondContact O-CG 3.38Å; E400-K480 PolarHBondContact O-NZ 3.18Å; E400-R653 PolarHBondContact O-NH1 3.2Å; E400-R653 PolarHBondContact O-NH2 3.29Å
401	W	94.9	Very high	89.5	Confident	40 Å²	40	24 Å²	24	15%	0.152	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-18	-169.6	-57	111.9	0	0	0	114.8	N399 E448 C451 A452 K480 L481 R653	N399-W401 VanDerWaalsContact C-N 3.32Å; N399-W401 PolarHBondContact O-N 3.29Å; N399-W401 WeakPolarHBondContact OD1-CA 3.22Å; N399-W401 WeakPolarHBondContact OD1-CB 3.42Å; N399-W401 PolarHBondContact OD1-N 3.21Å; W401-E448 HydrophobicContact CH2-CB 4.47Å; W401-E448 HydrophobicContact CH2-CG 4.37Å; W401-E448 HydrophobicContact CZ3-CB 3.88Å; W401-E448 HydrophobicContact CZ3-CG 4.08Å; W401-C451 HydrophobicContact CD2-CB 4.28Å; W401-C451 HydrophobicContact CH2-CB 3.89Å; W401-C451 HydrophobicContact CZ2-CB 3.55Å; W401-C451 HydrophobicContact CZ3-CB 4.37Å; W401-A452 HydrophobicContact CB-CB 3.81Å; W401-A452 HydrophobicContact CD2-CB 4.26Å; W401-A452 HydrophobicContact CE3-CB 4.06Å; W401-A452 HydrophobicContact CG-CB 4.19Å; W401-K480 CarbonylContact O-C 3.58Å; W401-K480 VanDerWaalsContact O-CA 3.32Å; W401-K480 WeakPolarHBondContact O-CA 3.35Å; W401-L481 PolarHBondContact O-N 3.24Å; W401-R653 HydrophobicContact CH2-CB 4.24Å; W401-R653 HydrophobicContact CH2-CG 4.49Å; W401-R653 HydrophobicContact CZ2-CB 4.43Å
402	V	94.3	Very high	89.4	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-107.7	145.1	178.7	174.6	0	0	0	0	109.2	L394 A397 N399 K404 V456 K480 F484	L394-V402 HydrophobicContact CD2-CG1 3.96Å; A397-V402 HydrophobicContact CB-CB 3.8Å; A397-V402 HydrophobicContact CB-CG1 3.68Å; A397-V402 HydrophobicContact CB-CG2 4.07Å; N399-V402 PolarHBondContact OD1-N 2.84Å; N399-V402 VanDerWaalsContact OD1-N 3.12Å; V402-K404 PolarHBondContact O-N 2.82Å; V402-V456 HydrophobicContact CG2-CG2 4.05Å; V402-K480 PolarHBondContact O-NZ 3.21Å; V402-F484 HydrophobicContact CB-CZ 4.37Å; V402-F484 HydrophobicContact CG1-CE2 3.65Å; V402-F484 HydrophobicContact CG1-CZ 3.66Å; V402-F484 HydrophobicContact CG2-CZ 4.04Å
403	V	93.9	Very high	89.5	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.018	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-61.9	122	170.9	169.4	0	0	0	0	110	L394 L405 M419 E420 I422 L472 K480 L481	L394-V403 VanDerWaalsContact CD2-O 3.27Å; L394-V403 WeakPolarHBondContact CD2-O 3.19Å; V403-L405 PolarHBondContact O-N 2.75Å; V403-M419 HydrophobicContact CG1-CB 3.82Å; V403-M419 HydrophobicContact CG1-CG 4.37Å; V403-M419 HydrophobicContact CG1-SD 4.26Å; V403-E420 HydrophobicContact CG1-CG 3.92Å; V403-I422 HydrophobicContact CG2-CG1 4.19Å; V403-L472 HydrophobicContact CG2-CD1 4.03Å; V403-K480 HydrophobicContact CG2-CB 3.99Å; V403-L481 WeakPolarHBondContact CG2-O 3.41Å; V403-L481 PolarHBondContact N-O 3Å
404	K	92.4	Very high	89.8	Confident	34 Å²	34	32.3 Å²	32.3	15%	0.148	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-72.5	119.5	-176.2	-166.8	173.8	-171.6	-177.6	0	112.4	D398 V402 Y406 M419 E420 D705	D398-K404 IonicContact OD1-NZ 3.24Å; V402-K404 PolarHBondContact O-N 2.82Å; K404-Y406 HydrophobicContact CD-CE2 4.5Å; K404-Y406 HydrophobicContact CG-CE2 4.47Å; K404-M419 CarbonylContact O-C 3.52Å; K404-M419 VanDerWaalsContact O-CA 3.29Å; K404-M419 WeakPolarHBondContact O-CA 3.35Å; K404-E420 HydrophobicContact CB-CB 4.47Å; K404-E420 HydrophobicContact CB-CG 4.12Å; K404-E420 WeakPolarHBondContact CB-OE1 3.44Å; K404-E420 PolarHBondContact N-OE1 2.84Å; K404-E420 PolarHBondContact O-N 3.39Å; K404-D705 WeakPolarHBondContact CE-OD2 3.44Å; K404-D705 IonicContact NZ-OD1 2.64Å; K404-D705 PolarHBondContact NZ-OD1 3.06Å; K404-D705 IonicContact NZ-OD2 2.69Å; K404-D705 PolarHBondContact NZ-OD2 2.97Å
405	L	92.5	Very high	90	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.7	167.3	179.7	75.6	0	0	0	110.9	L394 V403 Y407 F417 M419 F700 R702	L394-L405 HydrophobicContact CB-CB 3.77Å; L394-L405 HydrophobicContact CB-CD2 3.89Å; L394-L405 HydrophobicContact CB-CG 4.4Å; V403-L405 PolarHBondContact O-N 2.75Å; L405-Y407 VanDerWaalsContact CD1-O 3.22Å; L405-Y407 WeakPolarHBondContact CD1-O 3.37Å; L405-F417 HydrophobicContact CD1-CB 3.79Å; L405-F417 HydrophobicContact CD1-CD1 3.89Å; L405-F417 HydrophobicContact CD1-CG 4.35Å; L405-F417 HydrophobicContact CD2-CD1 4.4Å; L405-M419 HydrophobicContact CD1-CG 3.95Å; L405-F700 HydrophobicContact CD2-CD1 3.89Å; L405-F700 HydrophobicContact CD2-CE1 4.29Å; L405-F700 HydrophobicContact CG-CD1 4.25Å; L405-F700 HydrophobicContact CG-CE1 4.43Å; L405-R702 PolarHBondContact O-NE 3Å; L405-R702 PolarHBondContact O-NH2 2.76Å
406	Y	90.2	Very high	90.3	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-47.1	175.1	-72.5	-93.1	0	0	0	111.5	F368 K404 I418 E420 R702 D705 C711	F368-Y406 AromaticContact CD1-CD2 3.81Å; F368-Y406 HydrophobicContact CD1-CD2 3.81Å; F368-Y406 HydrophobicContact CD1-CE2 4.13Å; F368-Y406 HydrophobicContact CD1-CG 4.3Å; F368-Y406 HydrophobicContact CE1-CD1 4.05Å; F368-Y406 AromaticContact CE1-CD2 3.56Å; F368-Y406 HydrophobicContact CE1-CD2 3.56Å; F368-Y406 HydrophobicContact CE1-CE1 4.29Å; F368-Y406 AromaticContact CE1-CE2 3.83Å; F368-Y406 HydrophobicContact CE1-CE2 3.83Å; F368-Y406 AromaticContact CE1-CG 3.68Å; F368-Y406 HydrophobicContact CE1-CG 3.68Å; K404-Y406 HydrophobicContact CD-CE2 4.5Å; K404-Y406 HydrophobicContact CG-CE2 4.47Å; Y406-I418 PolarHBondContact N-O 3.12Å; Y406-E420 HydrophobicContact CE2-CB 3.97Å; Y406-R702 PolarHBondContact O-N 3.07Å; Y406-D705 HydrophobicContact CD1-CB 3.55Å; Y406-D705 HydrophobicContact CE1-CB 3.56Å; Y406-D705 WeakPolarHBondContact CE1-OD1 3.48Å; Y406-C711 PolarHBondContact OH-N 2.79Å
407	Y	89.9	Confident	90.7	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.9	-175.8	-38.4	-67.9	0	0	0	110.4	M337 F342 K361 F368 L405 I418 F700 R701	M337-Y407 HydrophobicContact CE-CD1 4.3Å; M337-Y407 HydrophobicContact CE-CD2 3.63Å; M337-Y407 HydrophobicContact CE-CE2 4.29Å; M337-Y407 HydrophobicContact CE-CG 3.63Å; M337-Y407 VanDerWaalsContact SD-CB 3.55Å; M337-Y407 HydrophobicContact SD-CD1 3.86Å; M337-Y407 HydrophobicContact SD-CD2 4.25Å; M337-Y407 HydrophobicContact SD-CG 3.62Å; F342-Y407 HydrophobicContact CZ-CD2 4.48Å; K361-Y407 HydrophobicContact CD-CE2 4.31Å; F368-Y407 HydrophobicContact CZ-CE2 4.21Å; L405-Y407 VanDerWaalsContact CD1-O 3.22Å; L405-Y407 WeakPolarHBondContact CD1-O 3.37Å; Y407-I418 HydrophobicContact CD2-CB 3.84Å; Y407-I418 HydrophobicContact CD2-CG1 4.22Å; Y407-I418 HydrophobicContact CD2-CG2 3.8Å; Y407-I418 HydrophobicContact CE2-CG2 4.4Å; Y407-I418 HydrophobicContact CG-CB 4.47Å; Y407-I418 PolarHBondContact N-O 2.81Å; Y407-I418 PolarHBondContact O-N 3.34Å; Y407-F700 CarbonylContact C-O 3.59Å; Y407-F700 WeakPolarHBondContact CA-O 3.3Å; Y407-R701 HydrophobicContact CD1-CB 4.14Å; Y407-R701 HydrophobicContact CD1-CG 3.99Å
408	S	91.5	Very high	91.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.5	157.6	60.8	0	0	0	0	109.5	F416 F698 T699 F700	S408-F416 CarbonylContact C-O 3.53Å; S408-F416 WeakPolarHBondContact CA-O 3.28Å; S408-F416 WeakPolarHBondContact CB-O 3.07Å; S408-F698 PolarHBondContact OG-O 3.31Å; S408-T699 CarbonylContact O-C 3.56Å; S408-T699 VanDerWaalsContact O-CA 3.25Å; S408-T699 WeakPolarHBondContact O-CA 3.35Å; S408-F700 PolarHBondContact N-O 3.35Å; S408-F700 PolarHBondContact O-N 3.11Å; S408-F700 WeakPolarHBondContact OG-CB 3.49Å; S408-F700 PolarHBondContact OG-N 3.31Å
409	F	91	Very high	91.6	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	170.4	179.6	62.2	-91.9	0	0	0	110.6	M337 A339 F342 F416 I418 F698	M337-F409 HydrophobicContact CB-CB 3.92Å; M337-F409 HydrophobicContact CB-CD1 3.71Å; M337-F409 HydrophobicContact CB-CD2 4.34Å; M337-F409 HydrophobicContact CB-CE1 4.29Å; M337-F409 HydrophobicContact CB-CG 3.74Å; M337-F409 HydrophobicContact CE-CD1 3.95Å; M337-F409 HydrophobicContact CE-CE1 3.96Å; M337-F409 HydrophobicContact SD-CD1 4.21Å; A339-F409 HydrophobicContact CB-CE2 4.38Å; F342-F409 HydrophobicContact CD2-CZ 4.29Å; F342-F409 AromaticContact CE2-CE1 3.79Å; F342-F409 HydrophobicContact CE2-CE1 3.79Å; F342-F409 AromaticContact CE2-CZ 3.97Å; F342-F409 HydrophobicContact CE2-CZ 3.97Å; F342-F409 HydrophobicContact CZ-CE1 4.45Å; F409-F416 HydrophobicContact CD1-CB 4.11Å; F409-F416 HydrophobicContact CD2-CB 3.89Å; F409-F416 AromaticContact CD2-CD2 3.64Å; F409-F416 HydrophobicContact CD2-CD2 3.64Å; F409-F416 HydrophobicContact CD2-CE2 4.41Å; F409-F416 AromaticContact CD2-CG 3.9Å; F409-F416 HydrophobicContact CD2-CG 3.9Å; F409-F416 HydrophobicContact CE1-CB 3.86Å; F409-F416 HydrophobicContact CE1-CG 4.47Å; F409-F416 HydrophobicContact CE2-CB 3.61Å; F409-F416 AromaticContact CE2-CD1 3.96Å; F409-F416 HydrophobicContact CE2-CD1 3.96Å; F409-F416 AromaticContact CE2-CD2 3.43Å; F409-F416 HydrophobicContact CE2-CD2 3.43Å; F409-F416 VanDerWaalsContact CE2-CD2 3.43Å; F409-F416 HydrophobicContact CE2-CE2 4.06Å; F409-F416 AromaticContact CE2-CG 3.38Å; F409-F416 HydrophobicContact CE2-CG 3.38Å; F409-F416 HydrophobicContact CG-CB 4.13Å; F409-F416 HydrophobicContact CZ-CB 3.59Å; F409-F416 HydrophobicContact CZ-CD1 4.06Å; F409-F416 HydrophobicContact CZ-CD2 4.24Å; F409-F416 AromaticContact CZ-CG 3.72Å; F409-F416 HydrophobicContact CZ-CG 3.72Å; F409-F416 PolarHBondContact N-O 3.33Å; F409-F416 PolarHBondContact O-N 3.24Å; F409-I418 HydrophobicContact CD1-CG1 4.34Å; F409-I418 HydrophobicContact CE1-CD1 3.88Å; F409-I418 HydrophobicContact CE1-CG1 3.66Å; F409-I418 HydrophobicContact CZ-CD1 4.38Å; F409-F698 WeakPolarHBondContact O-CD1 3.2Å; F409-F698 WeakPolarHBondContact O-CE1 3.24Å
410	Q	90.6	Very high	91.8	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.192	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.5	-176.4	59.2	179.9	-42.7	0	0	110.6	K375 C414 L415 F695 F698	K375-Q410 VanDerWaalsContact CE-OE1 3.24Å; Q410-C414 WeakPolarHBondContact CA-O 3.21Å; Q410-L415 HydrophobicContact CB-CD2 3.67Å; Q410-F695 PolarHBondContact NE2-O 2.8Å; Q410-F698 HydrophobicContact CB-CD1 4.13Å
411	D	88.4	Confident	92	Very high	64 Å²	64	20.3 Å²	20.3	34%	0.342	10%	0.096	S	C	.	.			trans	-110.7	-152.5	167	66	30.6	0	0	0	110.1	K375 D413 C414 F416	K375-D411 WeakPolarHBondContact CE-O 3.32Å; K375-D411 PolarHBondContact NZ-O 2.89Å; D411-D413 PolarHBondContact OD1-N 2.86Å; D411-C414 PolarHBondContact N-O 3.32Å; D411-C414 VanDerWaalsContact N-O 3.11Å; D411-C414 PolarHBondContact OD1-N 2.73Å; D411-F416 HydrophobicContact CB-CE2 4.33Å; D411-F416 VanDerWaalsContact OD2-CE2 3.23Å; D411-F416 WeakPolarHBondContact OD2-CE2 3.29Å; D411-F416 VanDerWaalsContact OD2-CZ 3.29Å; D411-F416 WeakPolarHBondContact OD2-CZ 3.46Å
412	K	86.7	Confident	92	Very high	116 Å²	116	18.6 Å²	18.6	50%	0.504	9%	0.09	S	C	.	.	S	Bend	trans	-70.6	-35.3	179	-179.2	-168.8	162	-150.9	0	112.4	S686	K412-S686 VanDerWaalsContact NZ-CB 3.34Å
413	D	87.8	Confident	91.9	Very high	59 Å²	59	18.5 Å²	18.5	32%	0.316	9%	0.09	S	C	.	.	S	Bend	trans	-124.8	-19.8	-162.1	-55.9	-66.3	0	0	0	112.5	K375 D411	K375-D413 WeakPolarHBondContact CB-O 3.37Å; K375-D413 PolarHBondContact N-O 2.86Å; D411-D413 PolarHBondContact OD1-N 2.86Å
414	C	91.7	Very high	91.9	Very high	20 Å²	20	18.7 Å²	18.7	14%	0.135	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.5	-176.2	-72.9	0	0	0	0	114.5	V372 L373 Q410 D411 F416	V372-C414 HydrophobicContact CG1-CB 4Å; L373-C414 CarbonylContact O-C 3.57Å; L373-C414 WeakPolarHBondContact O-CA 3.49Å; Q410-C414 WeakPolarHBondContact CA-O 3.21Å; D411-C414 PolarHBondContact N-O 3.32Å; D411-C414 VanDerWaalsContact N-O 3.11Å; D411-C414 PolarHBondContact OD1-N 2.73Å; C414-F416 HydrophobicContact CB-CD2 4.39Å; C414-F416 HydrophobicContact CB-CE1 4.46Å; C414-F416 HydrophobicContact CB-CE2 3.56Å; C414-F416 HydrophobicContact CB-CZ 3.6Å
415	L	92.3	Very high	91.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.6	168.9	-56.2	175.9	0	0	0	109	V372 L373 K375 V387 Q410 F695 F698	V372-L415 WeakPolarHBondContact CA-O 3.31Å; L373-L415 HydrophobicContact CB-CB 4.39Å; L373-L415 PolarHBondContact N-O 3.39Å; L373-L415 PolarHBondContact O-N 3.34Å; K375-L415 HydrophobicContact CD-CD2 4.37Å; K375-L415 VanDerWaalsContact CE-CD2 3.47Å; K375-L415 HydrophobicContact CG-CD2 3.99Å; K375-L415 HydrophobicContact CG-CG 3.9Å; V387-L415 HydrophobicContact CG1-CD1 3.7Å; Q410-L415 HydrophobicContact CB-CD2 3.67Å; L415-F695 HydrophobicContact CD1-CD1 3.65Å; L415-F695 HydrophobicContact CD1-CD2 4.4Å; L415-F695 HydrophobicContact CD1-CE1 3.56Å; L415-F695 HydrophobicContact CD1-CE2 4.29Å; L415-F695 HydrophobicContact CD1-CG 4.09Å; L415-F695 HydrophobicContact CD1-CZ 3.88Å; L415-F695 HydrophobicContact CD2-CB 4.07Å; L415-F695 HydrophobicContact CD2-CD1 4.23Å; L415-F695 HydrophobicContact CD2-CD2 4.17Å; L415-F695 HydrophobicContact CD2-CG 3.88Å; L415-F698 HydrophobicContact CB-CD1 4.4Å; L415-F698 HydrophobicContact CB-CE1 3.84Å; L415-F698 HydrophobicContact CB-CE2 4.27Å; L415-F698 HydrophobicContact CB-CZ 3.78Å; L415-F698 HydrophobicContact CD1-CD2 4.37Å; L415-F698 HydrophobicContact CD1-CE2 4.21Å; L415-F698 HydrophobicContact CD2-CD1 3.9Å; L415-F698 HydrophobicContact CD2-CD2 4.26Å; L415-F698 HydrophobicContact CD2-CE1 4.21Å; L415-F698 HydrophobicContact CD2-CG 3.94Å
416	F	93.8	Very high	92	Very high	12 Å²	12	18.8 Å²	18.8	5%	0.053	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.2	-174.3	-57.5	-97.9	0	0	0	110.9	A339 M370 K371 V372 S408 F409 D411 C414 F698	A339-F416 HydrophobicContact CB-CE1 3.85Å; A339-F416 HydrophobicContact CB-CZ 3.98Å; M370-F416 HydrophobicContact CG-CD1 4.36Å; M370-F416 HydrophobicContact SD-CD1 3.92Å; M370-F416 HydrophobicContact SD-CE1 4.49Å; K371-F416 WeakPolarHBondContact O-CA 3.23Å; V372-F416 HydrophobicContact CG1-CD1 4.22Å; V372-F416 HydrophobicContact CG1-CE1 3.9Å; V372-F416 HydrophobicContact CG1-CZ 4.39Å; V372-F416 HydrophobicContact CG2-CD1 3.89Å; V372-F416 HydrophobicContact CG2-CE1 4.01Å; S408-F416 CarbonylContact C-O 3.53Å; S408-F416 WeakPolarHBondContact CA-O 3.28Å; S408-F416 WeakPolarHBondContact CB-O 3.07Å; F409-F416 HydrophobicContact CD1-CB 4.11Å; F409-F416 HydrophobicContact CD2-CB 3.89Å; F409-F416 AromaticContact CD2-CD2 3.64Å; F409-F416 HydrophobicContact CD2-CD2 3.64Å; F409-F416 HydrophobicContact CD2-CE2 4.41Å; F409-F416 AromaticContact CD2-CG 3.9Å; F409-F416 HydrophobicContact CD2-CG 3.9Å; F409-F416 HydrophobicContact CE1-CB 3.86Å; F409-F416 HydrophobicContact CE1-CG 4.47Å; F409-F416 HydrophobicContact CE2-CB 3.61Å; F409-F416 AromaticContact CE2-CD1 3.96Å; F409-F416 HydrophobicContact CE2-CD1 3.96Å; F409-F416 AromaticContact CE2-CD2 3.43Å; F409-F416 HydrophobicContact CE2-CD2 3.43Å; F409-F416 VanDerWaalsContact CE2-CD2 3.43Å; F409-F416 HydrophobicContact CE2-CE2 4.06Å; F409-F416 AromaticContact CE2-CG 3.38Å; F409-F416 HydrophobicContact CE2-CG 3.38Å; F409-F416 HydrophobicContact CG-CB 4.13Å; F409-F416 HydrophobicContact CZ-CB 3.59Å; F409-F416 HydrophobicContact CZ-CD1 4.06Å; F409-F416 HydrophobicContact CZ-CD2 4.24Å; F409-F416 AromaticContact CZ-CG 3.72Å; F409-F416 HydrophobicContact CZ-CG 3.72Å; F409-F416 PolarHBondContact N-O 3.33Å; F409-F416 PolarHBondContact O-N 3.24Å; D411-F416 HydrophobicContact CB-CE2 4.33Å; D411-F416 VanDerWaalsContact OD2-CE2 3.23Å; D411-F416 WeakPolarHBondContact OD2-CE2 3.29Å; D411-F416 VanDerWaalsContact OD2-CZ 3.29Å; D411-F416 WeakPolarHBondContact OD2-CZ 3.46Å; C414-F416 HydrophobicContact CB-CD2 4.39Å; C414-F416 HydrophobicContact CB-CE1 4.46Å; C414-F416 HydrophobicContact CB-CE2 3.56Å; C414-F416 HydrophobicContact CB-CZ 3.6Å; F416-F698 WeakPolarHBondContact O-CE1 3.42Å
417	F	93.6	Very high	92.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.6	167.3	-58.8	-101.9	0	0	0	109.1	M370 K371 L373 V387 E390 R391 L394 L405 M419 F698	M370-F417 CarbonylContact C-O 3.49Å; M370-F417 VanDerWaalsContact CA-O 3.29Å; M370-F417 WeakPolarHBondContact CA-O 3.49Å; K371-F417 HydrophobicContact CB-CB 4.24Å; K371-F417 HydrophobicContact CB-CD2 4.4Å; K371-F417 HydrophobicContact CD-CD2 4.38Å; K371-F417 HydrophobicContact CG-CD2 4.49Å; K371-F417 PolarHBondContact N-O 2.85Å; K371-F417 PolarHBondContact O-N 3.18Å; L373-F417 HydrophobicContact CD1-CE2 3.77Å; L373-F417 HydrophobicContact CG-CE2 4.34Å; V387-F417 HydrophobicContact CG1-CE2 4.35Å; V387-F417 HydrophobicContact CG1-CZ 4.05Å; E390-F417 HydrophobicContact CG-CE1 4.19Å; E390-F417 HydrophobicContact CG-CZ 4.25Å; R391-F417 HydrophobicContact CB-CE1 3.91Å; R391-F417 HydrophobicContact CB-CZ 4.49Å; R391-F417 HydrophobicContact CG-CE1 4.41Å; L394-F417 HydrophobicContact CD1-CD1 4.32Å; L405-F417 HydrophobicContact CD1-CB 3.79Å; L405-F417 HydrophobicContact CD1-CD1 3.89Å; L405-F417 HydrophobicContact CD1-CG 4.35Å; L405-F417 HydrophobicContact CD2-CD1 4.4Å; F417-M419 HydrophobicContact CB-CG 4.3Å; F417-M419 HydrophobicContact CB-SD 4.4Å; F417-F698 HydrophobicContact CD1-CZ 4.21Å; F417-F698 AromaticContact CD2-CZ 3.96Å; F417-F698 HydrophobicContact CD2-CZ 3.96Å; F417-F698 AromaticContact CE1-CE2 3.95Å; F417-F698 HydrophobicContact CE1-CE2 3.95Å; F417-F698 AromaticContact CE1-CZ 3.82Å; F417-F698 HydrophobicContact CE1-CZ 3.82Å; F417-F698 AromaticContact CE2-CE2 3.93Å; F417-F698 HydrophobicContact CE2-CE2 3.93Å; F417-F698 AromaticContact CE2-CZ 3.53Å; F417-F698 HydrophobicContact CE2-CZ 3.53Å; F417-F698 HydrophobicContact CG-CZ 4.29Å; F417-F698 AromaticContact CZ-CE2 3.49Å; F417-F698 HydrophobicContact CZ-CE2 3.49Å; F417-F698 VanDerWaalsContact CZ-CE2 3.49Å; F417-F698 AromaticContact CZ-CZ 3.48Å; F417-F698 HydrophobicContact CZ-CZ 3.48Å; F417-F698 VanDerWaalsContact CZ-CZ 3.48Å
418	I	94.4	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.2	176.5	-51	-61.2	0	0	0	108.7	F342 F368 M370 Y406 Y407 F409	F342-I418 HydrophobicContact CD1-CD1 4.47Å; F342-I418 HydrophobicContact CD2-CD1 4.47Å; F342-I418 HydrophobicContact CE1-CD1 4.06Å; F342-I418 HydrophobicContact CE1-CG1 4.28Å; F342-I418 HydrophobicContact CE1-CG2 3.97Å; F342-I418 HydrophobicContact CE2-CD1 4.08Å; F342-I418 HydrophobicContact CE2-CG1 4.28Å; F342-I418 HydrophobicContact CZ-CD1 3.86Å; F342-I418 HydrophobicContact CZ-CG1 3.81Å; F342-I418 HydrophobicContact CZ-CG2 4.2Å; F368-I418 HydrophobicContact CB-CG2 3.58Å; F368-I418 HydrophobicContact CD1-CG2 3.81Å; F368-I418 HydrophobicContact CD2-CG2 3.93Å; F368-I418 HydrophobicContact CE1-CG2 4.45Å; F368-I418 HydrophobicContact CG-CG2 3.51Å; M370-I418 HydrophobicContact CB-CD1 3.92Å; M370-I418 HydrophobicContact CG-CD1 3.66Å; M370-I418 HydrophobicContact SD-CD1 3.95Å; Y406-I418 PolarHBondContact N-O 3.12Å; Y407-I418 HydrophobicContact CD2-CB 3.84Å; Y407-I418 HydrophobicContact CD2-CG1 4.22Å; Y407-I418 HydrophobicContact CD2-CG2 3.8Å; Y407-I418 HydrophobicContact CE2-CG2 4.4Å; Y407-I418 HydrophobicContact CG-CB 4.47Å; Y407-I418 PolarHBondContact N-O 2.81Å; Y407-I418 PolarHBondContact O-N 3.34Å; F409-I418 HydrophobicContact CD1-CG1 4.34Å; F409-I418 HydrophobicContact CE1-CD1 3.88Å; F409-I418 HydrophobicContact CE1-CG1 3.66Å; F409-I418 HydrophobicContact CZ-CD1 4.38Å
419	M	93.8	Very high	92.1	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	162.9	-169.5	-59.9	176.7	-63.5	0	0	111	F368 A369 K371 L394 V403 K404 L405 F417	F368-M419 WeakPolarHBondContact CA-O 3.4Å; F368-M419 WeakPolarHBondContact CB-O 3.4Å; A369-M419 HydrophobicContact CB-CB 4.46Å; A369-M419 HydrophobicContact CB-CE 4.5Å; A369-M419 PolarHBondContact N-O 3.37Å; A369-M419 PolarHBondContact O-N 3.12Å; K371-M419 HydrophobicContact CB-CE 3.69Å; L394-M419 HydrophobicContact CD1-SD 4.23Å; V403-M419 HydrophobicContact CG1-CB 3.82Å; V403-M419 HydrophobicContact CG1-CG 4.37Å; V403-M419 HydrophobicContact CG1-SD 4.26Å; K404-M419 CarbonylContact O-C 3.52Å; K404-M419 VanDerWaalsContact O-CA 3.29Å; K404-M419 WeakPolarHBondContact O-CA 3.35Å; L405-M419 HydrophobicContact CD1-CG 3.95Å; F417-M419 HydrophobicContact CB-CG 4.3Å; F417-M419 HydrophobicContact CB-SD 4.4Å
420	E	93	Very high	92.1	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	11%	0.109	C	C	.	.			trans	-57.6	141.7	167.9	62.6	179.9	136.7	0	0	111.3	V403 K404 Y406 I422 K480 T713	V403-E420 HydrophobicContact CG1-CG 3.92Å; K404-E420 HydrophobicContact CB-CB 4.47Å; K404-E420 HydrophobicContact CB-CG 4.12Å; K404-E420 WeakPolarHBondContact CB-OE1 3.44Å; K404-E420 PolarHBondContact N-OE1 2.84Å; K404-E420 PolarHBondContact O-N 3.39Å; Y406-E420 HydrophobicContact CE2-CB 3.97Å; E420-I422 HydrophobicContact CG-CD1 3.69Å; E420-I422 HydrophobicContact CG-CG1 4.23Å; E420-I422 WeakPolarHBondContact OE2-CD1 3.47Å; E420-K480 VanDerWaalsContact OE1-CE 3.28Å; E420-K480 WeakPolarHBondContact OE1-CE 3.35Å; E420-K480 IonicContact OE1-NZ 3.37Å; E420-K480 PolarHBondContact OE1-NZ 3.05Å; E420-K480 WeakPolarHBondContact OE2-CE 3.19Å; E420-K480 IonicContact OE2-NZ 2.61Å; E420-T713 PolarHBondContact OE2-OG1 3.36Å
421	Y	94.7	Very high	92.2	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.101	C	C	.	.			trans	-84.1	125.3	172.6	176.6	-124.6	0	0	0	110.1	I348 L358 P423 D668 T669 F672	I348-Y421 HydrophobicContact CD1-CD2 4.18Å; I348-Y421 HydrophobicContact CD1-CE2 3.96Å; L358-Y421 HydrophobicContact CD1-CD1 3.78Å; L358-Y421 HydrophobicContact CD1-CD2 3.85Å; L358-Y421 HydrophobicContact CD1-CE1 4.07Å; L358-Y421 HydrophobicContact CD1-CE2 4.15Å; L358-Y421 HydrophobicContact CD1-CG 3.67Å; L358-Y421 HydrophobicContact CD2-CE1 4.43Å; Y421-P423 HydrophobicContact CD1-CB 4.38Å; Y421-P423 HydrophobicContact CE1-CB 3.77Å; Y421-P423 WeakPolarHBondContact O-CD 3.21Å; Y421-D668 PolarHBondContact OH-O 2.91Å; Y421-T669 WeakPolarHBondContact OH-CG2 3.21Å; Y421-F672 AromaticContact CE2-CE2 3.78Å; Y421-F672 HydrophobicContact CE2-CE2 3.78Å; Y421-F672 AromaticContact CE2-CZ 3.94Å; Y421-F672 HydrophobicContact CE2-CZ 3.94Å; Y421-F672 AromaticContact CZ-CE2 3.95Å; Y421-F672 WeakPolarHBondContact OH-CE2 3.37Å
422	I	94.8	Very high	92.2	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	10%	0.096	C	C	.	.			trans	-108.8	99.6	-178.9	-58	-54.7	0	0	0	109.3	V403 E420 G424 L472 I473 K480 F672	V403-I422 HydrophobicContact CG2-CG1 4.19Å; E420-I422 HydrophobicContact CG-CD1 3.69Å; E420-I422 HydrophobicContact CG-CG1 4.23Å; E420-I422 WeakPolarHBondContact OE2-CD1 3.47Å; I422-G424 PolarHBondContact O-N 3.02Å; I422-L472 HydrophobicContact CB-CB 4.16Å; I422-L472 HydrophobicContact CB-CD1 3.97Å; I422-L472 HydrophobicContact CG1-CD1 4.12Å; I422-L472 HydrophobicContact CG2-CB 3.62Å; I422-L472 HydrophobicContact CG2-CD1 4.37Å; I422-I473 VanDerWaalsContact CG2-C 3.45Å; I422-I473 WeakPolarHBondContact CG2-O 3.49Å; I422-K480 HydrophobicContact CD1-CD 3.51Å; I422-K480 HydrophobicContact CG1-CD 4.26Å; I422-F672 VanDerWaalsContact O-CZ 3.28Å; I422-F672 WeakPolarHBondContact O-CZ 3.24Å
423	P	93.6	Very high	92.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.2	-165.2	29.7	-37.8	0	0	0	116.3	Y421 G425 R475 I663 N671	Y421-P423 HydrophobicContact CD1-CB 4.38Å; Y421-P423 HydrophobicContact CE1-CB 3.77Å; Y421-P423 WeakPolarHBondContact O-CD 3.21Å; P423-G425 VanDerWaalsContact C-N 3.32Å; P423-G425 PolarHBondContact O-N 2.97Å; P423-R475 HydrophobicContact CG-CB 4.14Å; P423-I663 HydrophobicContact CB-CD1 3.81Å; P423-I663 HydrophobicContact CB-CG1 4.16Å; P423-I663 HydrophobicContact CB-CG2 4.25Å; P423-I663 HydrophobicContact CG-CD1 3.58Å; P423-I663 HydrophobicContact CG-CG1 4.44Å; P423-N671 PolarHBondContact O-ND2 3.11Å; P423-N671 VanDerWaalsContact O-ND2 3.09Å
424	G	93.3	Very high	92.3	Very high	7 Å²	7	20.7 Å²	20.7	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.8	-176.5	0	0	0	0	0	115.3	I422 I473 N671	I422-G424 PolarHBondContact O-N 3.02Å; G424-I473 WeakPolarHBondContact CA-O 3.47Å; G424-I473 PolarHBondContact N-O 3.42Å; G424-N671 WeakPolarHBondContact O-CB 3.44Å
425	G	93	Very high	92.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	11%	0.113	C	C	.	.			trans	75.1	-158.4	-175.4	0	0	0	0	0	112.7	P423 L472 I473 N671	P423-G425 VanDerWaalsContact C-N 3.32Å; P423-G425 PolarHBondContact O-N 2.97Å; G425-L472 CarbonylContact O-C 3.6Å; G425-L472 WeakPolarHBondContact O-CA 3.14Å; G425-I473 PolarHBondContact O-N 2.79Å; G425-N671 WeakPolarHBondContact CA-O 3.43Å
426	D	93.2	Very high	92.1	Very high	36 Å²	36	25.7 Å²	25.7	19%	0.193	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-109.4	165.9	-179.4	63.8	68.3	0	0	0	113.4	M428 A429 L430 I471 L472	D426-M428 VanDerWaalsContact C-N 3.28Å; D426-M428 PolarHBondContact O-N 3.44Å; D426-M428 WeakPolarHBondContact OD1-CA 3.37Å; D426-M428 WeakPolarHBondContact OD1-CB 3.06Å; D426-M428 PolarHBondContact OD1-N 2.66Å; D426-A429 PolarHBondContact O-N 3.34Å; D426-A429 PolarHBondContact OD1-N 3.18Å; D426-L430 PolarHBondContact O-N 3.27Å; D426-I471 CarbonylContact C-O 3.55Å; D426-I471 WeakPolarHBondContact CA-O 3.44Å; D426-L472 HydrophobicContact CB-CD2 3.87Å
427	M	94.3	Very high	92.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-69.2	-25.3	-179.7	-172.6	63.1	66.9	0	0	112.2	L430 L431 F437 Y445 P468 I471 I473 I479 M576	M427-L430 PolarHBondContact O-N 3.01Å; M427-L430 HydrophobicContact SD-CB 4.41Å; M427-L430 HydrophobicContact SD-CD2 4.08Å; M427-L431 HydrophobicContact CG-CD1 4.32Å; M427-L431 HydrophobicContact CG-CG 4.47Å; M427-L431 WeakPolarHBondContact O-CB 3.28Å; M427-L431 VanDerWaalsContact O-CG 3.29Å; M427-L431 WeakPolarHBondContact O-CG 3.39Å; M427-L431 PolarHBondContact O-N 3.43Å; M427-F437 HydrophobicContact SD-CE2 3.74Å; M427-F437 HydrophobicContact SD-CZ 3.74Å; M427-Y445 HydrophobicContact CE-CD1 3.63Å; M427-Y445 HydrophobicContact CE-CD2 3.78Å; M427-Y445 HydrophobicContact CE-CE1 3.94Å; M427-Y445 HydrophobicContact CE-CE2 4.05Å; M427-Y445 HydrophobicContact CE-CG 3.56Å; M427-Y445 HydrophobicContact SD-CD2 4.23Å; M427-Y445 HydrophobicContact SD-CE2 4.48Å; M427-P468 HydrophobicContact CB-CB 4.05Å; M427-P468 WeakPolarHBondContact CB-O 3.36Å; M427-P468 HydrophobicContact CG-CB 4.23Å; M427-P468 PolarHBondContact N-O 3.38Å; M427-I471 HydrophobicContact CB-CB 3.9Å; M427-I471 HydrophobicContact CB-CG2 4.05Å; M427-I471 HydrophobicContact CE-CG2 4.24Å; M427-I471 PolarHBondContact N-O 3.16Å; M427-I473 HydrophobicContact CE-CD1 3.95Å; M427-I473 HydrophobicContact CE-CG1 4.32Å; M427-I473 HydrophobicContact SD-CD1 4.37Å; M427-I479 HydrophobicContact CE-CG2 3.9Å; M427-M576 HydrophobicContact CE-CE 4.46Å; M427-M576 HydrophobicContact CG-CE 4.12Å; M427-M576 HydrophobicContact SD-CE 4.03Å
428	M	90.3	Very high	92.1	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-45.3	175.2	-171.8	68.6	-169.9	0	0	110.5	D426 L430 L431 I432 P468 D469 R532	D426-M428 VanDerWaalsContact C-N 3.28Å; D426-M428 PolarHBondContact O-N 3.44Å; D426-M428 WeakPolarHBondContact OD1-CA 3.37Å; D426-M428 WeakPolarHBondContact OD1-CB 3.06Å; D426-M428 PolarHBondContact OD1-N 2.66Å; M428-L430 VanDerWaalsContact C-N 3.32Å; M428-L430 PolarHBondContact O-N 2.9Å; M428-L431 PolarHBondContact O-N 3.37Å; M428-I432 HydrophobicContact CE-CD1 4.1Å; M428-I432 HydrophobicContact CE-CG1 4.34Å; M428-I432 HydrophobicContact CG-CD1 4.17Å; M428-I432 VanDerWaalsContact O-CG1 3.29Å; M428-I432 WeakPolarHBondContact O-CG1 3.04Å; M428-I432 PolarHBondContact O-N 2.72Å; M428-P468 HydrophobicContact CB-CB 3.96Å; M428-P468 PolarHBondContact N-O 3.04Å; M428-P468 HydrophobicContact SD-CB 4.31Å; M428-D469 HydrophobicContact CB-CB 4.43Å; M428-R532 HydrophobicContact CE-CG 3.92Å
429	A	89.4	Confident	92.1	Very high	34 Å²	34	35 Å²	35	28%	0.281	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-39.8	174.3	0	0	0	0	0	111.7	D426 I432 K433	D426-A429 PolarHBondContact O-N 3.34Å; D426-A429 PolarHBondContact OD1-N 3.18Å; A429-I432 PolarHBondContact O-N 3.31Å; A429-K433 VanDerWaalsContact O-CB 3.27Å; A429-K433 WeakPolarHBondContact O-CB 3.29Å; A429-K433 PolarHBondContact O-N 3.47Å
430	L	92.3	Very high	92.2	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-41.9	175.6	-175.7	57.8	0	0	0	112.7	D426 M427 M428 K433 K434 F437 Y445 I473 Y659	D426-L430 PolarHBondContact O-N 3.27Å; M427-L430 PolarHBondContact O-N 3.01Å; M427-L430 HydrophobicContact SD-CB 4.41Å; M427-L430 HydrophobicContact SD-CD2 4.08Å; M428-L430 VanDerWaalsContact C-N 3.32Å; M428-L430 PolarHBondContact O-N 2.9Å; L430-K433 PolarHBondContact O-N 2.97Å; L430-K434 HydrophobicContact CD1-CG 3.95Å; L430-K434 HydrophobicContact CG-CG 4.5Å; L430-K434 WeakPolarHBondContact O-CB 3.26Å; L430-K434 PolarHBondContact O-N 3.28Å; L430-F437 HydrophobicContact CB-CZ 4.42Å; L430-F437 HydrophobicContact CD2-CZ 3.89Å; L430-F437 HydrophobicContact CG-CE1 4.03Å; L430-F437 HydrophobicContact CG-CZ 3.76Å; L430-Y445 HydrophobicContact CD2-CE2 3.83Å; L430-I473 HydrophobicContact CB-CD1 4.1Å; L430-I473 HydrophobicContact CD2-CD1 3.52Å; L430-I473 HydrophobicContact CG-CD1 4.43Å; L430-Y659 HydrophobicContact CD1-CD1 3.84Å; L430-Y659 HydrophobicContact CD1-CD2 4.19Å; L430-Y659 HydrophobicContact CD1-CE1 3.5Å; L430-Y659 HydrophobicContact CD1-CE2 3.88Å; L430-Y659 HydrophobicContact CD1-CG 4.17Å; L430-Y659 HydrophobicContact CD2-CD1 3.61Å; L430-Y659 HydrophobicContact CD2-CE1 3.89Å; L430-Y659 HydrophobicContact CD2-CG 4.22Å; L430-Y659 HydrophobicContact CG-CD1 4.4Å; L430-Y659 HydrophobicContact CG-CE1 4.3Å
431	L	91.5	Very high	92.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-46.6	174.1	-78.5	166.9	0	0	0	111.3	M427 M428 K434 G435 F437 P468 E575 M576	M427-L431 HydrophobicContact CG-CD1 4.32Å; M427-L431 HydrophobicContact CG-CG 4.47Å; M427-L431 WeakPolarHBondContact O-CB 3.28Å; M427-L431 VanDerWaalsContact O-CG 3.29Å; M427-L431 WeakPolarHBondContact O-CG 3.39Å; M427-L431 PolarHBondContact O-N 3.43Å; M428-L431 PolarHBondContact O-N 3.37Å; L431-K434 PolarHBondContact O-N 3.05Å; L431-G435 WeakPolarHBondContact O-CA 3.11Å; L431-G435 PolarHBondContact O-N 3.24Å; L431-F437 HydrophobicContact CD2-CD1 4.24Å; L431-F437 HydrophobicContact CD2-CD2 4.49Å; L431-F437 HydrophobicContact CD2-CE1 3.86Å; L431-F437 HydrophobicContact CD2-CE2 4.14Å; L431-F437 HydrophobicContact CD2-CZ 3.8Å; L431-F437 HydrophobicContact CG-CE1 4.35Å; L431-F437 HydrophobicContact CG-CZ 4.06Å; L431-P468 HydrophobicContact CD1-CB 3.8Å; L431-P468 HydrophobicContact CD1-CG 3.77Å; L431-E575 HydrophobicContact CD1-CG 4.38Å; L431-M576 HydrophobicContact CD2-CB 4.37Å; L431-M576 HydrophobicContact CD2-CG 3.87Å
432	I	88.2	Confident	92.4	Very high	46 Å²	46	41.3 Å²	41.3	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-46.4	175	-66.8	163.9	0	0	0	110.7	M428 A429 K434 H533	M428-I432 HydrophobicContact CE-CD1 4.1Å; M428-I432 HydrophobicContact CE-CG1 4.34Å; M428-I432 HydrophobicContact CG-CD1 4.17Å; M428-I432 VanDerWaalsContact O-CG1 3.29Å; M428-I432 WeakPolarHBondContact O-CG1 3.04Å; M428-I432 PolarHBondContact O-N 2.72Å; A429-I432 PolarHBondContact O-N 3.31Å; I432-K434 PolarHBondContact O-N 3.25Å; I432-H533 HydrophobicContact CD1-CB 4.23Å
433	K	88	Confident	92.5	Very high	126 Å²	126	42.6 Å²	42.6	55%	0.548	22%	0.216	S	C	.	.	H	α-helix	trans	-64.2	-35.9	-178.3	-177.1	178.1	-179.1	179.8	0	113.4	A429 L430 Y659	A429-K433 VanDerWaalsContact O-CB 3.27Å; A429-K433 WeakPolarHBondContact O-CB 3.29Å; A429-K433 PolarHBondContact O-N 3.47Å; L430-K433 PolarHBondContact O-N 2.97Å; K433-Y659 PolarHBondContact NZ-OH 2.79Å
434	K	89.2	Confident	92.7	Very high	111 Å²	111	43.2 Å²	43.2	48%	0.483	22%	0.219	S	C	.	.	H	α-helix	trans	-91.3	-28.4	-179.1	-75.2	-75	-175.3	174.9	0	113.6	L430 L431 I432 L436 F437	L430-K434 HydrophobicContact CD1-CG 3.95Å; L430-K434 HydrophobicContact CG-CG 4.5Å; L430-K434 WeakPolarHBondContact O-CB 3.26Å; L430-K434 PolarHBondContact O-N 3.28Å; L431-K434 PolarHBondContact O-N 3.05Å; I432-K434 PolarHBondContact O-N 3.25Å; K434-L436 PolarHBondContact O-N 3.34Å; K434-F437 HydrophobicContact CB-CD1 3.85Å; K434-F437 HydrophobicContact CB-CE1 3.75Å; K434-F437 HydrophobicContact CG-CD1 4.24Å; K434-F437 HydrophobicContact CG-CE1 3.95Å
435	G	87.3	Confident	92.9	Very high	28 Å²	28	43 Å²	43	29%	0.289	22%	0.216	S	C	.	.	S	Bend	trans	77.3	-53.9	-174.4	0	0	0	0	0	113.6	L431 L529	L431-G435 WeakPolarHBondContact O-CA 3.11Å; L431-G435 PolarHBondContact O-N 3.24Å; G435-L529 WeakPolarHBondContact O-CD1 3.44Å
436	L	91.4	Very high	93.2	Very high	96 Å²	96	43 Å²	43	50%	0.503	22%	0.215	S	C	.	.	S	Bend	trans	-138.8	142.5	176.7	-159.3	77.3	0	0	0	108.9	K434 V577	K434-L436 PolarHBondContact O-N 3.34Å; L436-V577 WeakPolarHBondContact CD1-O 3.4Å
437	F	94.4	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	21%	0.206	C	C	.	.			trans	-95.7	136.1	169.7	-70.7	6.1	0	0	0	109.9	M427 L430 L431 K434 L441 A442 Y445 M576	M427-F437 HydrophobicContact SD-CE2 3.74Å; M427-F437 HydrophobicContact SD-CZ 3.74Å; L430-F437 HydrophobicContact CB-CZ 4.42Å; L430-F437 HydrophobicContact CD2-CZ 3.89Å; L430-F437 HydrophobicContact CG-CE1 4.03Å; L430-F437 HydrophobicContact CG-CZ 3.76Å; L431-F437 HydrophobicContact CD2-CD1 4.24Å; L431-F437 HydrophobicContact CD2-CD2 4.49Å; L431-F437 HydrophobicContact CD2-CE1 3.86Å; L431-F437 HydrophobicContact CD2-CE2 4.14Å; L431-F437 HydrophobicContact CD2-CZ 3.8Å; L431-F437 HydrophobicContact CG-CE1 4.35Å; L431-F437 HydrophobicContact CG-CZ 4.06Å; K434-F437 HydrophobicContact CB-CD1 3.85Å; K434-F437 HydrophobicContact CB-CE1 3.75Å; K434-F437 HydrophobicContact CG-CD1 4.24Å; K434-F437 HydrophobicContact CG-CE1 3.95Å; F437-L441 HydrophobicContact CB-CB 4.39Å; F437-L441 HydrophobicContact CB-CD2 4.17Å; F437-L441 HydrophobicContact CB-CG 4.45Å; F437-L441 HydrophobicContact CD1-CD2 3.85Å; F437-L441 HydrophobicContact CD2-CD2 4.05Å; F437-L441 HydrophobicContact CD2-CG 4.04Å; F437-L441 HydrophobicContact CE1-CD2 4.26Å; F437-L441 HydrophobicContact CE2-CD2 4.44Å; F437-L441 HydrophobicContact CE2-CG 4.49Å; F437-L441 HydrophobicContact CG-CD2 3.75Å; F437-L441 HydrophobicContact CG-CG 4.16Å; F437-A442 HydrophobicContact CB-CB 4.22Å; F437-Y445 HydrophobicContact CD2-CD2 4.41Å; F437-Y445 AromaticContact CE2-CD2 3.83Å; F437-Y445 HydrophobicContact CE2-CD2 3.83Å; F437-Y445 HydrophobicContact CE2-CE2 4.33Å; F437-M576 HydrophobicContact CB-CB 4.22Å; F437-M576 HydrophobicContact CD2-CB 3.91Å; F437-M576 HydrophobicContact CD2-CE 4.46Å; F437-M576 HydrophobicContact CD2-CG 3.64Å; F437-M576 HydrophobicContact CD2-SD 4Å; F437-M576 HydrophobicContact CE2-CE 4.04Å; F437-M576 HydrophobicContact CE2-CG 3.9Å; F437-M576 HydrophobicContact CE2-SD 4.18Å; F437-M576 HydrophobicContact CG-CB 4.27Å; F437-M576 HydrophobicContact CG-CG 4.4Å; F437-M576 PolarHBondContact N-O 3.41Å
438	E	94.3	Very high	93.6	Very high	157 Å²	157	41.1 Å²	41.1	73%	0.734	21%	0.206	S	C	*	.			trans	-61.7	147.7	162.7	-65.7	172.9	-164.1	0	0	110	Q440 L441 A442	E438-Q440 PolarHBondContact O-N 2.78Å; E438-L441 WeakPolarHBondContact O-CB 3.2Å; E438-L441 PolarHBondContact O-N 2.82Å; E438-A442 PolarHBondContact O-N 3.4Å
439	E	94.7	Very high	93.9	Very high	47 Å²	47	40.9 Å²	40.9	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-30.3	-176	-69.3	-160.9	172.1	0	0	113.6	K443 L610 S611 A614	E439-K443 WeakPolarHBondContact O-CB 3.27Å; E439-K443 PolarHBondContact O-N 3.49Å; E439-L610 VanDerWaalsContact OE1-CA 3.3Å; E439-L610 WeakPolarHBondContact OE1-CA 3.48Å; E439-S611 PolarHBondContact OE1-N 3.37Å; E439-S611 PolarHBondContact OE1-OG 2.93Å; E439-S611 WeakPolarHBondContact OE2-CB 3.3Å; E439-S611 PolarHBondContact OE2-OG 3.26Å; E439-A614 WeakPolarHBondContact OE1-CB 3.12Å
440	Q	94.3	Very high	94.3	Very high	128 Å²	128	39.3 Å²	39.3	60%	0.598	19%	0.191	S	C	*	.	H	α-helix	trans	-70.7	-36.9	177.4	-58.3	-61.5	-9.6	0	0	112.6	E438 F444	E438-Q440 PolarHBondContact O-N 2.78Å; Q440-F444 PolarHBondContact O-N 2.98Å; Q440-F444 VanDerWaalsContact O-N 3.16Å
441	L	95.9	Very high	94.5	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-43.6	174.7	-177.2	65.7	0	0	0	110.5	F437 E438 F444 Y445 P658	F437-L441 HydrophobicContact CB-CB 4.39Å; F437-L441 HydrophobicContact CB-CD2 4.17Å; F437-L441 HydrophobicContact CB-CG 4.45Å; F437-L441 HydrophobicContact CD1-CD2 3.85Å; F437-L441 HydrophobicContact CD2-CD2 4.05Å; F437-L441 HydrophobicContact CD2-CG 4.04Å; F437-L441 HydrophobicContact CE1-CD2 4.26Å; F437-L441 HydrophobicContact CE2-CD2 4.44Å; F437-L441 HydrophobicContact CE2-CG 4.49Å; F437-L441 HydrophobicContact CG-CD2 3.75Å; F437-L441 HydrophobicContact CG-CG 4.16Å; E438-L441 WeakPolarHBondContact O-CB 3.2Å; E438-L441 PolarHBondContact O-N 2.82Å; L441-F444 PolarHBondContact O-N 2.77Å; L441-Y445 HydrophobicContact CD1-CD2 4.07Å; L441-Y445 HydrophobicContact CD1-CE2 3.63Å; L441-Y445 HydrophobicContact CG-CD2 4.19Å; L441-Y445 HydrophobicContact CG-CE2 4.12Å; L441-Y445 PolarHBondContact O-N 2.99Å; L441-P658 HydrophobicContact CD1-CB 3.92Å; L441-P658 HydrophobicContact CD1-CG 4.49Å
442	A	97	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-44.2	174.5	0	0	0	0	0	111.4	F437 E438 F444 Y445 V446 F573 M576 V577	F437-A442 HydrophobicContact CB-CB 4.22Å; E438-A442 PolarHBondContact O-N 3.4Å; A442-F444 PolarHBondContact O-N 2.96Å; A442-Y445 PolarHBondContact O-N 3.45Å; A442-V446 WeakPolarHBondContact O-CB 3.42Å; A442-V446 VanDerWaalsContact O-CG2 3.23Å; A442-V446 WeakPolarHBondContact O-CG2 3.07Å; A442-V446 PolarHBondContact O-N 3.37Å; A442-F573 HydrophobicContact CB-CD2 4.12Å; A442-F573 HydrophobicContact CB-CE2 3.88Å; A442-M576 HydrophobicContact CB-CB 4.04Å; A442-M576 HydrophobicContact CB-SD 4.17Å; A442-V577 HydrophobicContact CB-CG1 3.7Å
443	K	97.5	Very high	95.1	Very high	31 Å²	31	37.1 Å²	37.1	14%	0.135	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-45.8	176.7	-174	-174.5	-53.5	-151.9	0	112.4	E439 A447 F643 F644 I647	E439-K443 WeakPolarHBondContact O-CB 3.27Å; E439-K443 PolarHBondContact O-N 3.49Å; K443-A447 WeakPolarHBondContact O-CB 3.44Å; K443-A447 PolarHBondContact O-N 3Å; K443-F643 HydrophobicContact CB-CE1 3.74Å; K443-F643 HydrophobicContact CB-CZ 3.72Å; K443-F643 WeakPolarHBondContact CD-O 3.25Å; K443-F643 WeakPolarHBondContact CE-O 3.46Å; K443-F643 HydrophobicContact CG-CD1 4.28Å; K443-F643 HydrophobicContact CG-CE1 3.84Å; K443-F643 HydrophobicContact CG-CZ 4.17Å; K443-F643 PolarHBondContact NZ-O 3.21Å; K443-F644 HydrophobicContact CG-CD1 4.11Å; K443-I647 HydrophobicContact CD-CD1 4.18Å; K443-I647 HydrophobicContact CD-CG1 4.35Å; K443-I647 HydrophobicContact CG-CD1 4.27Å; K443-I647 HydrophobicContact CG-CG1 4.46Å
444	F	97.2	Very high	95.4	Very high	14 Å²	14	32.7 Å²	32.7	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-53.6	176.7	177.8	-95.2	0	0	0	111.3	Q440 L441 A442 A447 E448 H478 L652 A657 P658	Q440-F444 PolarHBondContact O-N 2.98Å; Q440-F444 VanDerWaalsContact O-N 3.16Å; L441-F444 PolarHBondContact O-N 2.77Å; A442-F444 PolarHBondContact O-N 2.96Å; F444-A447 PolarHBondContact O-N 3.15Å; F444-E448 HydrophobicContact CE1-CG 4.14Å; F444-E448 HydrophobicContact CZ-CG 4.11Å; F444-E448 PolarHBondContact O-N 3.3Å; F444-H478 AromaticContact CZ-CE1 3.92Å; F444-H478 AromaticContact CZ-ND1 3.76Å; F444-L652 HydrophobicContact CD2-CD1 4.05Å; F444-L652 HydrophobicContact CE2-CD1 3.94Å; F444-A657 HydrophobicContact CE1-CB 3.87Å; F444-A657 HydrophobicContact CZ-CB 3.77Å; F444-P658 HydrophobicContact CB-CG 4Å; F444-P658 VanDerWaalsContact CD1-CD 3.49Å; F444-P658 HydrophobicContact CD1-CG 4.22Å; F444-P658 HydrophobicContact CD2-CG 4.17Å; F444-P658 VanDerWaalsContact CG-CD 3.5Å; F444-P658 HydrophobicContact CG-CG 3.86Å
445	Y	97.9	Very high	95.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-34.6	-176.5	-74.5	-49.2	0	0	0	114.1	M427 L430 F437 L441 A442 E448 L449 G477 I479	M427-Y445 HydrophobicContact CE-CD1 3.63Å; M427-Y445 HydrophobicContact CE-CD2 3.78Å; M427-Y445 HydrophobicContact CE-CE1 3.94Å; M427-Y445 HydrophobicContact CE-CE2 4.05Å; M427-Y445 HydrophobicContact CE-CG 3.56Å; M427-Y445 HydrophobicContact SD-CD2 4.23Å; M427-Y445 HydrophobicContact SD-CE2 4.48Å; L430-Y445 HydrophobicContact CD2-CE2 3.83Å; F437-Y445 HydrophobicContact CD2-CD2 4.41Å; F437-Y445 AromaticContact CE2-CD2 3.83Å; F437-Y445 HydrophobicContact CE2-CD2 3.83Å; F437-Y445 HydrophobicContact CE2-CE2 4.33Å; L441-Y445 HydrophobicContact CD1-CD2 4.07Å; L441-Y445 HydrophobicContact CD1-CE2 3.63Å; L441-Y445 HydrophobicContact CG-CD2 4.19Å; L441-Y445 HydrophobicContact CG-CE2 4.12Å; L441-Y445 PolarHBondContact O-N 2.99Å; A442-Y445 PolarHBondContact O-N 3.45Å; Y445-E448 PolarHBondContact O-N 3.39Å; Y445-L449 VanDerWaalsContact O-CB 3.26Å; Y445-L449 WeakPolarHBondContact O-CB 3.08Å; Y445-L449 PolarHBondContact O-N 2.97Å; Y445-G477 WeakPolarHBondContact CE1-O 3.16Å; Y445-G477 PolarHBondContact OH-O 3.14Å; Y445-I479 HydrophobicContact CD1-CG2 3.56Å; Y445-I479 HydrophobicContact CE1-CG2 3.8Å
446	V	98.1	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.3	-38.3	173.3	177.8	0	0	0	0	110.7	A442 L449 V450 V569 F573 M576 F644	A442-V446 WeakPolarHBondContact O-CB 3.42Å; A442-V446 VanDerWaalsContact O-CG2 3.23Å; A442-V446 WeakPolarHBondContact O-CG2 3.07Å; A442-V446 PolarHBondContact O-N 3.37Å; V446-L449 PolarHBondContact O-N 3.21Å; V446-V450 VanDerWaalsContact O-CG2 3.29Å; V446-V450 WeakPolarHBondContact O-CG2 3.28Å; V446-V450 PolarHBondContact O-N 3.44Å; V446-V569 HydrophobicContact CG1-CG1 3.85Å; V446-F573 HydrophobicContact CG2-CB 3.81Å; V446-F573 HydrophobicContact CG2-CD2 3.71Å; V446-F573 HydrophobicContact CG2-CG 3.92Å; V446-M576 HydrophobicContact CG2-SD 3.89Å; V446-F644 HydrophobicContact CB-CE1 4.28Å; V446-F644 HydrophobicContact CG1-CE1 3.96Å; V446-F644 HydrophobicContact CG1-CZ 3.71Å
447	A	98.1	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-44.8	173.8	0	0	0	0	0	111.8	K443 F444 L449 V450 C451 F644 I647 W649 L652	K443-A447 WeakPolarHBondContact O-CB 3.44Å; K443-A447 PolarHBondContact O-N 3Å; F444-A447 PolarHBondContact O-N 3.15Å; A447-L449 VanDerWaalsContact C-N 3.33Å; A447-L449 PolarHBondContact O-N 3.43Å; A447-V450 PolarHBondContact O-N 2.78Å; A447-C451 PolarHBondContact O-N 2.82Å; A447-C451 VanDerWaalsContact O-N 3.14Å; A447-F644 HydrophobicContact CB-CD1 4.08Å; A447-F644 HydrophobicContact CB-CE1 4.14Å; A447-I647 HydrophobicContact CB-CG2 4.24Å; A447-W649 HydrophobicContact CB-CH2 3.71Å; A447-W649 HydrophobicContact CB-CZ3 3.65Å; A447-W649 WeakPolarHBondContact O-CZ3 3.34Å; A447-L652 HydrophobicContact CB-CD2 3.84Å
448	E	97.9	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-41.6	173.8	-68.6	-146.7	128.6	0	0	112	W401 F444 Y445 V450 C451 A452 H478 I479 L652	W401-E448 HydrophobicContact CH2-CB 4.47Å; W401-E448 HydrophobicContact CH2-CG 4.37Å; W401-E448 HydrophobicContact CZ3-CB 3.88Å; W401-E448 HydrophobicContact CZ3-CG 4.08Å; F444-E448 HydrophobicContact CE1-CG 4.14Å; F444-E448 HydrophobicContact CZ-CG 4.11Å; F444-E448 PolarHBondContact O-N 3.3Å; Y445-E448 PolarHBondContact O-N 3.39Å; E448-V450 VanDerWaalsContact C-N 3.33Å; E448-V450 PolarHBondContact O-N 3.03Å; E448-C451 WeakPolarHBondContact O-CB 3.46Å; E448-C451 PolarHBondContact O-N 3.04Å; E448-C451 VanDerWaalsContact O-N 3.13Å; E448-A452 WeakPolarHBondContact O-CB 3.38Å; E448-A452 PolarHBondContact O-N 2.82Å; E448-H478 IonicContact OE1-CE1 2.93Å; E448-H478 IonicContact OE1-CG 3.75Å; E448-H478 IonicContact OE1-ND1 3.82Å; E448-H478 PolarHBondContact OE1-ND1 3.37Å; E448-H478 VanDerWaalsContact OE2-CA 3.31Å; E448-H478 WeakPolarHBondContact OE2-CA 3.48Å; E448-H478 IonicContact OE2-ND1 3.71Å; E448-I479 HydrophobicContact CB-CD1 3.68Å; E448-I479 HydrophobicContact CB-CG1 3.77Å; E448-I479 PolarHBondContact OE2-N 2.87Å; E448-L652 HydrophobicContact CG-CD2 3.86Å; E448-L652 HydrophobicContact CG-CG 4.02Å
449	L	97.8	Very high	95.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-38.7	179.2	-175.2	58.8	0	0	0	112	Y445 V446 A447 A452 I453 I471 I479 L481 V569 I572	Y445-L449 VanDerWaalsContact O-CB 3.26Å; Y445-L449 WeakPolarHBondContact O-CB 3.08Å; Y445-L449 PolarHBondContact O-N 2.97Å; V446-L449 PolarHBondContact O-N 3.21Å; A447-L449 VanDerWaalsContact C-N 3.33Å; A447-L449 PolarHBondContact O-N 3.43Å; L449-A452 PolarHBondContact O-N 2.74Å; L449-I453 HydrophobicContact CD1-CD1 3.81Å; L449-I453 HydrophobicContact CD1-CG1 4.09Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.49Å; L449-I453 WeakPolarHBondContact O-CB 3.2Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 2.79Å; L449-I471 HydrophobicContact CD1-CD1 3.75Å; L449-I471 HydrophobicContact CD1-CG1 4.23Å; L449-I471 HydrophobicContact CD2-CD1 3.94Å; L449-I471 HydrophobicContact CG-CD1 4.48Å; L449-I479 HydrophobicContact CB-CD1 3.95Å; L449-I479 HydrophobicContact CD1-CD1 4.32Å; L449-L481 HydrophobicContact CD1-CD2 3.96Å; L449-V569 HydrophobicContact CD2-CG1 4.37Å; L449-V569 HydrophobicContact CD2-CG2 3.94Å; L449-V569 HydrophobicContact CG-CG2 4.05Å; L449-I572 HydrophobicContact CD2-CD1 4.19Å; L449-I572 HydrophobicContact CD2-CG2 4.39Å
450	V	97.8	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-41.4	172.9	170.1	0	0	0	0	111.6	V446 A447 E448 H454 W566 V569 A635 I638 K639 W649	V446-V450 VanDerWaalsContact O-CG2 3.29Å; V446-V450 WeakPolarHBondContact O-CG2 3.28Å; V446-V450 PolarHBondContact O-N 3.44Å; A447-V450 PolarHBondContact O-N 2.78Å; E448-V450 VanDerWaalsContact C-N 3.33Å; E448-V450 PolarHBondContact O-N 3.03Å; V450-H454 WeakPolarHBondContact O-CB 3.45Å; V450-H454 PolarHBondContact O-N 3.32Å; V450-H454 VanDerWaalsContact O-N 3.15Å; V450-W566 HydrophobicContact CB-CZ3 4.4Å; V450-W566 HydrophobicContact CG1-CH2 4.4Å; V450-W566 HydrophobicContact CG1-CZ3 4.36Å; V450-W566 HydrophobicContact CG2-CZ3 4.22Å; V450-V569 HydrophobicContact CG2-CG1 4.42Å; V450-A635 HydrophobicContact CG1-CB 3.93Å; V450-I638 HydrophobicContact CG1-CB 4.38Å; V450-I638 HydrophobicContact CG1-CG2 4.19Å; V450-I638 HydrophobicContact CG2-CG2 3.69Å; V450-K639 HydrophobicContact CG1-CG 4.04Å; V450-W649 HydrophobicContact CB-CZ3 4.38Å; V450-W649 HydrophobicContact CG1-CZ3 4.34Å
451	C	96.8	Very high	94.6	Very high	10 Å²	10	18.8 Å²	18.8	7%	0.068	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-40	173.4	-79.3	0	0	0	0	112.7	W401 A447 E448 S455 K639	W401-C451 HydrophobicContact CD2-CB 4.28Å; W401-C451 HydrophobicContact CH2-CB 3.89Å; W401-C451 HydrophobicContact CZ2-CB 3.55Å; W401-C451 HydrophobicContact CZ3-CB 4.37Å; A447-C451 PolarHBondContact O-N 2.82Å; A447-C451 VanDerWaalsContact O-N 3.14Å; E448-C451 WeakPolarHBondContact O-CB 3.46Å; E448-C451 PolarHBondContact O-N 3.04Å; E448-C451 VanDerWaalsContact O-N 3.13Å; C451-S455 PolarHBondContact O-N 2.89Å; C451-S455 VanDerWaalsContact O-N 3.08Å; C451-K639 PolarHBondContact SG-NZ 3.02Å
452	A	96.4	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-50.2	-178.1	0	0	0	0	0	112.3	W401 E448 L449 H454 S455 V456 L481	W401-A452 HydrophobicContact CB-CB 3.81Å; W401-A452 HydrophobicContact CD2-CB 4.26Å; W401-A452 HydrophobicContact CE3-CB 4.06Å; W401-A452 HydrophobicContact CG-CB 4.19Å; E448-A452 WeakPolarHBondContact O-CB 3.38Å; E448-A452 PolarHBondContact O-N 2.82Å; L449-A452 PolarHBondContact O-N 2.74Å; A452-H454 VanDerWaalsContact C-N 3.34Å; A452-H454 PolarHBondContact O-N 3.27Å; A452-S455 WeakPolarHBondContact O-CB 3.48Å; A452-S455 PolarHBondContact O-N 3.41Å; A452-S455 VanDerWaalsContact O-N 3.09Å; A452-S455 PolarHBondContact O-OG 2.72Å; A452-V456 PolarHBondContact O-N 3.03Å; A452-L481 HydrophobicContact CB-CD1 3.69Å; A452-L481 HydrophobicContact CB-CG 3.9Å
453	I	95.5	Very high	93.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-42.2	177	-68.3	169.1	0	0	0	110.7	L449 S455 V456 H457 I466 L481 D565 W566 V569	L449-I453 HydrophobicContact CD1-CD1 3.81Å; L449-I453 HydrophobicContact CD1-CG1 4.09Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.49Å; L449-I453 WeakPolarHBondContact O-CB 3.2Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 2.79Å; I453-S455 PolarHBondContact O-N 2.72Å; I453-V456 WeakPolarHBondContact O-CA 3.4Å; I453-V456 WeakPolarHBondContact O-CB 3.45Å; I453-V456 PolarHBondContact O-N 3.32Å; I453-H457 WeakPolarHBondContact CG2-CE1 3.49Å; I453-H457 WeakPolarHBondContact CG2-NE2 3.39Å; I453-H457 PolarHBondContact O-N 3.27Å; I453-I466 HydrophobicContact CD1-CD1 3.91Å; I453-I466 HydrophobicContact CD1-CG1 4.02Å; I453-I466 HydrophobicContact CD1-CG2 4.09Å; I453-I466 HydrophobicContact CG1-CD1 3.8Å; I453-I466 HydrophobicContact CG1-CG1 4.33Å; I453-L481 HydrophobicContact CG1-CD1 4.22Å; I453-D565 HydrophobicContact CG2-CB 3.85Å; I453-W566 HydrophobicContact CB-CH2 3.83Å; I453-W566 HydrophobicContact CB-CZ3 3.76Å; I453-W566 HydrophobicContact CD1-CZ3 4.19Å; I453-W566 HydrophobicContact CG2-CE3 4.16Å; I453-W566 HydrophobicContact CG2-CH2 3.52Å; I453-W566 HydrophobicContact CG2-CZ2 4.02Å; I453-W566 HydrophobicContact CG2-CZ3 3.59Å; I453-V569 HydrophobicContact CD1-CG2 3.3Å
454	H	95	Very high	93.3	Very high	34 Å²	34	19.5 Å²	19.5	16%	0.157	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-31.7	175.7	-172.8	52.4	0	0	0	113.1	V450 A452 V456 K458 W566 E634 A635	V450-H454 WeakPolarHBondContact O-CB 3.45Å; V450-H454 PolarHBondContact O-N 3.32Å; V450-H454 VanDerWaalsContact O-N 3.15Å; A452-H454 VanDerWaalsContact C-N 3.34Å; A452-H454 PolarHBondContact O-N 3.27Å; H454-V456 VanDerWaalsContact C-N 3.32Å; H454-K458 WeakPolarHBondContact O-CB 3.48Å; H454-K458 WeakPolarHBondContact O-CG 3.07Å; H454-K458 PolarHBondContact O-N 3.06Å; H454-W566 HydrophobicContact CB-CH2 4.4Å; H454-E634 IonicContact CE1-OE2 2.4Å; H454-E634 PolarHBondContact CE1-OE2 3.21Å; H454-E634 IonicContact ND1-OE2 2.68Å; H454-E634 IonicContact NE2-OE2 3.3Å; H454-E634 PolarHBondContact NE2-OE2 2.95Å; H454-A635 HydrophobicContact CB-CB 3.64Å
455	S	94.1	Very high	92.7	Very high	16 Å²	16	20.2 Å²	20.2	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-30.6	174.4	83.8	0	0	0	0	112.8	C451 A452 I453 L459	C451-S455 PolarHBondContact O-N 2.89Å; C451-S455 VanDerWaalsContact O-N 3.08Å; A452-S455 WeakPolarHBondContact O-CB 3.48Å; A452-S455 PolarHBondContact O-N 3.41Å; A452-S455 VanDerWaalsContact O-N 3.09Å; A452-S455 PolarHBondContact O-OG 2.72Å; I453-S455 PolarHBondContact O-N 2.72Å; S455-L459 WeakPolarHBondContact O-CG 3.39Å
456	V	92.5	Very high	92.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-74.3	-46.1	174.9	169.5	0	0	0	0	110.8	I393 V402 A452 I453 H454 K458 L459 F461 L481 F484	I393-V456 HydrophobicContact CD1-CB 4.49Å; I393-V456 HydrophobicContact CD1-CG1 3.74Å; I393-V456 HydrophobicContact CD1-CG2 4.26Å; V402-V456 HydrophobicContact CG2-CG2 4.05Å; A452-V456 PolarHBondContact O-N 3.03Å; I453-V456 WeakPolarHBondContact O-CA 3.4Å; I453-V456 WeakPolarHBondContact O-CB 3.45Å; I453-V456 PolarHBondContact O-N 3.32Å; H454-V456 VanDerWaalsContact C-N 3.32Å; V456-K458 VanDerWaalsContact C-N 3.29Å; V456-K458 PolarHBondContact O-N 3.28Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 3.49Å; V456-F461 CarbonylContact C-O 3.58Å; V456-F461 HydrophobicContact CG1-CB 3.99Å; V456-F461 PolarHBondContact O-N 3.03Å; V456-L481 HydrophobicContact CG2-CD1 4.06Å; V456-F484 HydrophobicContact CG2-CE1 4.02Å
457	H	92	Very high	92.1	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.046	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-41	175.9	-64.5	174.3	0	0	0	111.7	I453 L459 G460 F461 Q562 D565 W566	I453-H457 WeakPolarHBondContact CG2-CE1 3.49Å; I453-H457 WeakPolarHBondContact CG2-NE2 3.39Å; I453-H457 PolarHBondContact O-N 3.27Å; H457-L459 PolarHBondContact O-N 3.48Å; H457-G460 PolarHBondContact O-N 2.94Å; H457-F461 WeakPolarHBondContact CA-O 3.18Å; H457-F461 PolarHBondContact CD2-O 3.49Å; H457-Q562 PolarHBondContact CE1-O 3.2Å; H457-Q562 VanDerWaalsContact CE1-O 3.31Å; H457-D565 IonicContact CD2-OD2 2.67Å; H457-D565 IonicContact CE1-OD2 3.79Å; H457-D565 IonicContact NE2-OD2 3.56Å; H457-D565 PolarHBondContact NE2-OD2 3.44Å; H457-W566 AromaticContact CE1-CE2 3.89Å; H457-W566 AromaticContact CE1-CZ2 3.81Å; H457-W566 AromaticContact ND1-CZ2 3.68Å
458	K	90.9	Very high	91.9	Very high	153 Å²	153	21.9 Å²	21.9	67%	0.665	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.4	174.2	-85.5	179.3	163.6	166.7	0	115.3	H454 V456 G460	H454-K458 WeakPolarHBondContact O-CB 3.48Å; H454-K458 WeakPolarHBondContact O-CG 3.07Å; H454-K458 PolarHBondContact O-N 3.06Å; V456-K458 VanDerWaalsContact C-N 3.29Å; V456-K458 PolarHBondContact O-N 3.28Å; K458-G460 VanDerWaalsContact C-N 3.3Å
459	L	86.4	Confident	91.4	Very high	60 Å²	60	23.7 Å²	23.7	31%	0.314	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.8	173.5	-65.7	169.4	0	0	0	112.3	I393 A397 S455 V456 H457 F461	I393-L459 HydrophobicContact CG1-CD1 4.45Å; A397-L459 HydrophobicContact CB-CD1 3.91Å; S455-L459 WeakPolarHBondContact O-CG 3.39Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 3.49Å; H457-L459 PolarHBondContact O-N 3.48Å; L459-F461 HydrophobicContact CB-CD2 3.75Å; L459-F461 HydrophobicContact CB-CE2 4.2Å; L459-F461 VanDerWaalsContact O-CD2 3.27Å; L459-F461 WeakPolarHBondContact O-CD2 3.35Å; L459-F461 WeakPolarHBondContact O-CE2 3.44Å
460	G	85.3	Confident	91.2	Very high	34 Å²	34	23.9 Å²	23.9	35%	0.351	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	22.5	-178.2	0	0	0	0	0	114.3	H457 K458 G489 L490	H457-G460 PolarHBondContact O-N 2.94Å; K458-G460 VanDerWaalsContact C-N 3.3Å; G460-G489 WeakPolarHBondContact O-CA 3.17Å; G460-L490 PolarHBondContact O-N 3.36Å
461	F	86.2	Confident	91.1	Very high	6 Å²	6	24 Å²	24	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.6	179.4	-65.9	-97.1	0	0	0	111.4	D392 I393 V456 H457 L459 G489 H494	D392-F461 HydrophobicContact CB-CE1 4.49Å; D392-F461 HydrophobicContact CB-CZ 4.2Å; I393-F461 HydrophobicContact CB-CD1 3.95Å; I393-F461 HydrophobicContact CB-CD2 4.18Å; I393-F461 HydrophobicContact CB-CE1 3.81Å; I393-F461 HydrophobicContact CB-CE2 4.07Å; I393-F461 HydrophobicContact CB-CG 4.14Å; I393-F461 HydrophobicContact CB-CZ 3.88Å; I393-F461 HydrophobicContact CD1-CB 3.81Å; I393-F461 HydrophobicContact CD1-CD1 4.29Å; I393-F461 HydrophobicContact CD1-CD2 4.13Å; I393-F461 HydrophobicContact CD1-CG 3.84Å; I393-F461 HydrophobicContact CG1-CD1 4.41Å; I393-F461 HydrophobicContact CG1-CD2 3.99Å; I393-F461 HydrophobicContact CG1-CE2 4.23Å; I393-F461 HydrophobicContact CG1-CG 4.1Å; V456-F461 CarbonylContact C-O 3.58Å; V456-F461 HydrophobicContact CG1-CB 3.99Å; V456-F461 PolarHBondContact O-N 3.03Å; H457-F461 WeakPolarHBondContact CA-O 3.18Å; H457-F461 PolarHBondContact CD2-O 3.49Å; L459-F461 HydrophobicContact CB-CD2 3.75Å; L459-F461 HydrophobicContact CB-CE2 4.2Å; L459-F461 VanDerWaalsContact O-CD2 3.27Å; L459-F461 WeakPolarHBondContact O-CD2 3.35Å; L459-F461 WeakPolarHBondContact O-CE2 3.44Å; F461-G489 VanDerWaalsContact CD1-CA 3.48Å; F461-H494 AromaticContact CE1-CE1 3.6Å
462	I	87.3	Confident	91	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.138	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.1	169	-53.3	170.3	0	0	0	107.6	R464 C487 T488 Q562 D565	I462-R464 HydrophobicContact CB-CG 4.16Å; I462-R464 HydrophobicContact CG2-CG 3.64Å; I462-C487 WeakPolarHBondContact O-CA 3.49Å; I462-C487 WeakPolarHBondContact O-CB 3.43Å; I462-T488 PolarHBondContact N-O 3.47Å; I462-T488 VanDerWaalsContact N-O 3.07Å; I462-T488 PolarHBondContact O-N 3.33Å; I462-Q562 HydrophobicContact CD1-CB 4.38Å; I462-Q562 HydrophobicContact CG1-CB 4Å; I462-D565 WeakPolarHBondContact CG2-OD2 3.42Å
463	H	88.1	Confident	91	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.127	C	C	.	.			trans	-78.7	-43.9	-172.4	-165.2	-42.8	0	0	0	112.9	D465 I466 F484 C487 D565	H463-D465 PolarHBondContact CE1-O 3.3Å; H463-D465 PolarHBondContact O-N 3.11Å; H463-I466 HydrophobicContact CB-CD1 3.78Å; H463-I466 HydrophobicContact CB-CG1 3.86Å; H463-I466 WeakPolarHBondContact CD2-CD1 3.46Å; H463-I466 VanDerWaalsContact CG-CD1 3.46Å; H463-F484 AromaticContact CD2-CD1 3.89Å; H463-F484 AromaticContact CD2-CE1 3.68Å; H463-F484 AromaticContact NE2-CD1 3.85Å; H463-F484 AromaticContact NE2-CE1 3.75Å; H463-C487 VanDerWaalsContact CA-SG 3.51Å; H463-C487 PolarHBondContact O-SG 3.45Å; H463-D565 PolarHBondContact N-OD2 3.36Å
464	R	87	Confident	90.9	Very high	40 Å²	40	25.3 Å²	25.3	15%	0.151	13%	0.13	C	C	.	.			trans	63.5	-9.8	176.3	-47.9	-168.1	-55.9	160.8	11.4	117.5	H386 I462 L486 T488 H560 D565	H386-R464 PolarHBondContact NE2-NH2 3.46Å; I462-R464 HydrophobicContact CB-CG 4.16Å; I462-R464 HydrophobicContact CG2-CG 3.64Å; R464-L486 VanDerWaalsContact CZ-O 3.25Å; R464-L486 PolarHBondContact NE-O 3.34Å; R464-L486 PolarHBondContact NH2-O 3.33Å; R464-T488 WeakPolarHBondContact CD-OG1 3.35Å; R464-T488 VanDerWaalsContact CZ-CG2 3.43Å; R464-T488 PolarHBondContact NE-OG1 3.24Å; R464-H560 WeakPolarHBondContact CD-NE2 3.49Å; R464-H560 PolarHBondContact NH1-NE2 2.87Å; R464-D565 WeakPolarHBondContact CA-OD1 3.48Å; R464-D565 PolarHBondContact N-OD1 3.09Å
465	D	86.4	Confident	90.8	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	13%	0.132	C	C	.	.			trans	-136.1	52.6	178.6	-167.9	33.6	0	0	0	110.7	H463 K467 N470 L486	H463-D465 PolarHBondContact CE1-O 3.3Å; H463-D465 PolarHBondContact O-N 3.11Å; D465-K467 PolarHBondContact O-N 2.87Å; D465-K467 WeakPolarHBondContact OD1-CD 3.49Å; D465-K467 WeakPolarHBondContact OD2-CE 3.43Å; D465-K467 IonicContact OD2-NZ 3.65Å; D465-K467 PolarHBondContact OD2-NZ 3.19Å; D465-N470 PolarHBondContact O-ND2 3.49Å; D465-N470 PolarHBondContact OD2-ND2 3.03Å; D465-L486 HydrophobicContact CB-CB 4.02Å; D465-L486 HydrophobicContact CB-CD1 3.85Å; D465-L486 HydrophobicContact CB-CG 4.46Å
466	I	92.6	Very high	90.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.			trans	-78.9	115.4	173.6	-67.6	-67.7	0	0	0	108.5	I453 H463 L481 Y549 D565 S568 I572	I453-I466 HydrophobicContact CD1-CD1 3.91Å; I453-I466 HydrophobicContact CD1-CG1 4.02Å; I453-I466 HydrophobicContact CD1-CG2 4.09Å; I453-I466 HydrophobicContact CG1-CD1 3.8Å; I453-I466 HydrophobicContact CG1-CG1 4.33Å; H463-I466 HydrophobicContact CB-CD1 3.78Å; H463-I466 HydrophobicContact CB-CG1 3.86Å; H463-I466 WeakPolarHBondContact CD2-CD1 3.46Å; H463-I466 VanDerWaalsContact CG-CD1 3.46Å; I466-L481 HydrophobicContact CD1-CD1 4.44Å; I466-L481 HydrophobicContact CD1-CD2 4.13Å; I466-Y549 VanDerWaalsContact O-CB 3.31Å; I466-Y549 WeakPolarHBondContact O-CB 3.38Å; I466-D565 HydrophobicContact CG1-CB 4.2Å; I466-S568 WeakPolarHBondContact O-CB 3.47Å; I466-I572 HydrophobicContact CG2-CD1 3.63Å
467	K	91	Very high	90.9	Very high	36 Å²	36	29.7 Å²	29.7	16%	0.157	15%	0.15	C	C	.	.			trans	-156.7	157.7	-176.9	55.7	-178.1	179.4	160.1	0	109.6	D465 D469 N470 Y549	D465-K467 PolarHBondContact O-N 2.87Å; D465-K467 WeakPolarHBondContact OD1-CD 3.49Å; D465-K467 WeakPolarHBondContact OD2-CE 3.43Å; D465-K467 IonicContact OD2-NZ 3.65Å; D465-K467 PolarHBondContact OD2-NZ 3.19Å; K467-D469 VanDerWaalsContact C-N 3.27Å; K467-D469 VanDerWaalsContact CD-OD1 3.26Å; K467-D469 WeakPolarHBondContact CD-OD1 3.33Å; K467-D469 VanDerWaalsContact CD-OD2 3.29Å; K467-D469 WeakPolarHBondContact CD-OD2 3.46Å; K467-D469 WeakPolarHBondContact CE-OD2 3.41Å; K467-D469 VanDerWaalsContact CG-OD1 3.28Å; K467-D469 WeakPolarHBondContact CG-OD1 3.49Å; K467-D469 IonicContact NZ-OD2 3.79Å; K467-D469 PolarHBondContact NZ-OD2 2.89Å; K467-D469 PolarHBondContact O-N 3.35Å; K467-N470 WeakPolarHBondContact CE-ND2 3.34Å; K467-N470 WeakPolarHBondContact CE-OD1 3.44Å; K467-N470 HydrophobicContact CG-CB 4.08Å; K467-N470 PolarHBondContact O-N 2.96Å; K467-Y549 HydrophobicContact CB-CD2 3.44Å; K467-Y549 VanDerWaalsContact CB-CD2 3.44Å; K467-Y549 HydrophobicContact CB-CE2 3.67Å; K467-Y549 HydrophobicContact CB-CG 3.99Å
468	P	92.5	Very high	91.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.9	-174.4	-26.3	36.8	0	0	0	115	M427 M428 L431 N470 I471 Y549 I572	M427-P468 HydrophobicContact CB-CB 4.05Å; M427-P468 WeakPolarHBondContact CB-O 3.36Å; M427-P468 HydrophobicContact CG-CB 4.23Å; M427-P468 PolarHBondContact N-O 3.38Å; M428-P468 HydrophobicContact CB-CB 3.96Å; M428-P468 PolarHBondContact N-O 3.04Å; M428-P468 HydrophobicContact SD-CB 4.31Å; L431-P468 HydrophobicContact CD1-CB 3.8Å; L431-P468 HydrophobicContact CD1-CG 3.77Å; P468-N470 VanDerWaalsContact C-N 3.28Å; P468-N470 PolarHBondContact O-N 3.03Å; P468-I471 PolarHBondContact O-N 3.14Å; P468-Y549 WeakPolarHBondContact CD-OH 3.42Å; P468-Y549 HydrophobicContact CG-CE1 4.15Å; P468-Y549 WeakPolarHBondContact CG-OH 3.27Å; P468-I572 HydrophobicContact CG-CG1 4.19Å
469	D	87.8	Confident	91.5	Very high	39 Å²	39	22.4 Å²	22.4	21%	0.209	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.3	-21.4	174.7	44.9	-55.3	0	0	0	113.7	M428 K467	M428-D469 HydrophobicContact CB-CB 4.43Å; K467-D469 VanDerWaalsContact C-N 3.27Å; K467-D469 VanDerWaalsContact CD-OD1 3.26Å; K467-D469 WeakPolarHBondContact CD-OD1 3.33Å; K467-D469 VanDerWaalsContact CD-OD2 3.29Å; K467-D469 WeakPolarHBondContact CD-OD2 3.46Å; K467-D469 WeakPolarHBondContact CE-OD2 3.41Å; K467-D469 VanDerWaalsContact CG-OD1 3.28Å; K467-D469 WeakPolarHBondContact CG-OD1 3.49Å; K467-D469 IonicContact NZ-OD2 3.79Å; K467-D469 PolarHBondContact NZ-OD2 2.89Å; K467-D469 PolarHBondContact O-N 3.35Å
470	N	92.7	Very high	91.9	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.027	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-92.4	7.2	175	-73.1	2.1	0	0	0	113.3	D465 K467 P468 T482	D465-N470 PolarHBondContact O-ND2 3.49Å; D465-N470 PolarHBondContact OD2-ND2 3.03Å; K467-N470 WeakPolarHBondContact CE-ND2 3.34Å; K467-N470 WeakPolarHBondContact CE-OD1 3.44Å; K467-N470 HydrophobicContact CG-CB 4.08Å; K467-N470 PolarHBondContact O-N 2.96Å; P468-N470 VanDerWaalsContact C-N 3.28Å; P468-N470 PolarHBondContact O-N 3.03Å; N470-T482 PolarHBondContact O-N 3.41Å
471	I	95.6	Very high	92.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.015	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	101.6	179.3	-58.7	169.8	0	0	0	108.1	D426 M427 L449 P468 I479 L481 I572	D426-I471 CarbonylContact C-O 3.55Å; D426-I471 WeakPolarHBondContact CA-O 3.44Å; M427-I471 HydrophobicContact CB-CB 3.9Å; M427-I471 HydrophobicContact CB-CG2 4.05Å; M427-I471 HydrophobicContact CE-CG2 4.24Å; M427-I471 PolarHBondContact N-O 3.16Å; L449-I471 HydrophobicContact CD1-CD1 3.75Å; L449-I471 HydrophobicContact CD1-CG1 4.23Å; L449-I471 HydrophobicContact CD2-CD1 3.94Å; L449-I471 HydrophobicContact CG-CD1 4.48Å; P468-I471 PolarHBondContact O-N 3.14Å; I471-I479 HydrophobicContact CG2-CB 3.77Å; I471-I479 HydrophobicContact CG2-CD1 4.08Å; I471-I479 HydrophobicContact CG2-CG1 4.46Å; I471-I479 HydrophobicContact CG2-CG2 3.81Å; I471-L481 HydrophobicContact CG1-CD2 3.99Å; I471-I572 HydrophobicContact CD1-CD1 3.94Å
472	L	96.2	Very high	92.7	Very high	25 Å²	25	19 Å²	19	13%	0.131	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	154.9	177.8	-54.6	-175.3	0	0	0	111.6	V403 I422 G425 D426 I479 K480 T482	V403-L472 HydrophobicContact CG2-CD1 4.03Å; I422-L472 HydrophobicContact CB-CB 4.16Å; I422-L472 HydrophobicContact CB-CD1 3.97Å; I422-L472 HydrophobicContact CG1-CD1 4.12Å; I422-L472 HydrophobicContact CG2-CB 3.62Å; I422-L472 HydrophobicContact CG2-CD1 4.37Å; G425-L472 CarbonylContact O-C 3.6Å; G425-L472 WeakPolarHBondContact O-CA 3.14Å; D426-L472 HydrophobicContact CB-CD2 3.87Å; L472-I479 CarbonylContact O-C 3.6Å; L472-I479 WeakPolarHBondContact O-CA 3.27Å; L472-K480 PolarHBondContact N-O 3.24Å; L472-K480 PolarHBondContact O-N 3.3Å; L472-T482 HydrophobicContact CD1-CG2 3.91Å; L472-T482 HydrophobicContact CD2-CG2 4.01Å; L472-T482 HydrophobicContact CG-CG2 3.65Å
473	I	95.9	Very high	92.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.6	-179.2	-54.1	-179.9	0	0	0	110.1	I422 G424 G425 M427 L430 P661	I422-I473 VanDerWaalsContact CG2-C 3.45Å; I422-I473 WeakPolarHBondContact CG2-O 3.49Å; G424-I473 WeakPolarHBondContact CA-O 3.47Å; G424-I473 PolarHBondContact N-O 3.42Å; G425-I473 PolarHBondContact O-N 2.79Å; M427-I473 HydrophobicContact CE-CD1 3.95Å; M427-I473 HydrophobicContact CE-CG1 4.32Å; M427-I473 HydrophobicContact SD-CD1 4.37Å; L430-I473 HydrophobicContact CB-CD1 4.1Å; L430-I473 HydrophobicContact CD2-CD1 3.52Å; L430-I473 HydrophobicContact CG-CD1 4.43Å; I473-P661 HydrophobicContact CG2-CG 4.4Å
474	D	94.2	Very high	91.9	Very high	13 Å²	13	20.1 Å²	20.1	7%	0.07	10%	0.099	C	C	.	.			trans	-79.3	174.3	179.7	74.4	29.3	0	0	0	113.9	N476 G477 H478 R653 P661 T713	D474-N476 PolarHBondContact O-N 2.69Å; D474-N476 VanDerWaalsContact O-N 3.08Å; D474-N476 WeakPolarHBondContact OD1-CA 3.14Å; D474-N476 WeakPolarHBondContact OD1-CB 3.28Å; D474-N476 PolarHBondContact OD1-N 2.85Å; D474-G477 PolarHBondContact O-N 3.44Å; D474-G477 PolarHBondContact OD1-N 3.4Å; D474-H478 VanDerWaalsContact CG-O 3.32Å; D474-H478 PolarHBondContact N-O 2.88Å; D474-H478 PolarHBondContact OD1-N 3.28Å; D474-H478 VanDerWaalsContact OD1-N 3.09Å; D474-R653 IonicContact OD2-NH2 2.67Å; D474-R653 PolarHBondContact OD2-NH2 3.01Å; D474-P661 VanDerWaalsContact O-CG 3.32Å; D474-P661 WeakPolarHBondContact O-CG 3.4Å; D474-T713 HydrophobicContact CB-CG2 4.11Å
475	R	92.5	Very high	90.7	Very high	51 Å²	51	19.1 Å²	19.1	19%	0.192	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.5	-178.6	-175.8	173.6	-170.3	-162.6	5.1	113.9	P423 R660 I663	P423-R475 HydrophobicContact CG-CB 4.14Å; R475-R660 PolarHBondContact O-NE 3.47Å; R475-I663 HydrophobicContact CB-CD1 3.92Å; R475-I663 HydrophobicContact CG-CD1 3.8Å
476	N	93.6	Very high	89.5	Confident	91 Å²	91	20.3 Å²	20.3	49%	0.487	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-13.4	179.8	-69.4	20.8	0	0	0	111.6	D474 A657	D474-N476 PolarHBondContact O-N 2.69Å; D474-N476 VanDerWaalsContact O-N 3.08Å; D474-N476 WeakPolarHBondContact OD1-CA 3.14Å; D474-N476 WeakPolarHBondContact OD1-CB 3.28Å; D474-N476 PolarHBondContact OD1-N 2.85Å; N476-A657 WeakPolarHBondContact O-CB 3.49Å
477	G	94.8	Very high	88.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	103	5.7	177.4	0	0	0	0	0	114.5	Y445 D474 Y659	Y445-G477 WeakPolarHBondContact CE1-O 3.16Å; Y445-G477 PolarHBondContact OH-O 3.14Å; D474-G477 PolarHBondContact O-N 3.44Å; D474-G477 PolarHBondContact OD1-N 3.4Å; G477-Y659 WeakPolarHBondContact CA-O 3.45Å
478	H	97.2	Very high	86.6	Confident	9 Å²	9	20.1 Å²	20.1	4%	0.042	11%	0.109	C	C	.	.			trans	-92	154.9	-180	-60.9	-91.8	0	0	0	111.7	F444 E448 D474 R653 V655	F444-H478 AromaticContact CZ-CE1 3.92Å; F444-H478 AromaticContact CZ-ND1 3.76Å; E448-H478 IonicContact OE1-CE1 2.93Å; E448-H478 IonicContact OE1-CG 3.75Å; E448-H478 IonicContact OE1-ND1 3.82Å; E448-H478 PolarHBondContact OE1-ND1 3.37Å; E448-H478 VanDerWaalsContact OE2-CA 3.31Å; E448-H478 WeakPolarHBondContact OE2-CA 3.48Å; E448-H478 IonicContact OE2-ND1 3.71Å; D474-H478 VanDerWaalsContact CG-O 3.32Å; D474-H478 PolarHBondContact N-O 2.88Å; D474-H478 PolarHBondContact OD1-N 3.28Å; D474-H478 VanDerWaalsContact OD1-N 3.09Å; H478-R653 PolarHBondContact CE1-O 3.27Å; H478-R653 VanDerWaalsContact CE1-O 3.29Å; H478-R653 PolarHBondContact NE2-O 3.1Å; H478-V655 PolarHBondContact CE1-O 2.72Å; H478-V655 PolarHBondContact NE2-O 3.3Å
479	I	97	Very high	84.7	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	154	-175.8	74.8	178.4	0	0	0	114.3	M427 Y445 E448 L449 I471 L472 R653	M427-I479 HydrophobicContact CE-CG2 3.9Å; Y445-I479 HydrophobicContact CD1-CG2 3.56Å; Y445-I479 HydrophobicContact CE1-CG2 3.8Å; E448-I479 HydrophobicContact CB-CD1 3.68Å; E448-I479 HydrophobicContact CB-CG1 3.77Å; E448-I479 PolarHBondContact OE2-N 2.87Å; L449-I479 HydrophobicContact CB-CD1 3.95Å; L449-I479 HydrophobicContact CD1-CD1 4.32Å; I471-I479 HydrophobicContact CG2-CB 3.77Å; I471-I479 HydrophobicContact CG2-CD1 4.08Å; I471-I479 HydrophobicContact CG2-CG1 4.46Å; I471-I479 HydrophobicContact CG2-CG2 3.81Å; L472-I479 CarbonylContact O-C 3.6Å; L472-I479 WeakPolarHBondContact O-CA 3.27Å; I479-R653 PolarHBondContact O-NH1 3.2Å; I479-R653 PolarHBondContact O-NH2 3.4Å
480	K	96.4	Very high	83.2	Confident	6 Å²	6	26.6 Å²	26.6	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.3	166.4	-81	169.6	172.6	-74.6	0	110.2	E400 W401 V402 V403 E420 I422 L472	E400-K480 WeakPolarHBondContact O-CE 3.38Å; E400-K480 VanDerWaalsContact O-CG 3.28Å; E400-K480 WeakPolarHBondContact O-CG 3.38Å; E400-K480 PolarHBondContact O-NZ 3.18Å; W401-K480 CarbonylContact O-C 3.58Å; W401-K480 VanDerWaalsContact O-CA 3.32Å; W401-K480 WeakPolarHBondContact O-CA 3.35Å; V402-K480 PolarHBondContact O-NZ 3.21Å; V403-K480 HydrophobicContact CG2-CB 3.99Å; E420-K480 VanDerWaalsContact OE1-CE 3.28Å; E420-K480 WeakPolarHBondContact OE1-CE 3.35Å; E420-K480 IonicContact OE1-NZ 3.37Å; E420-K480 PolarHBondContact OE1-NZ 3.05Å; E420-K480 WeakPolarHBondContact OE2-CE 3.19Å; E420-K480 IonicContact OE2-NZ 2.61Å; I422-K480 HydrophobicContact CD1-CD 3.51Å; I422-K480 HydrophobicContact CG1-CD 4.26Å; L472-K480 PolarHBondContact N-O 3.24Å; L472-K480 PolarHBondContact O-N 3.3Å
481	L	95.7	Very high	81.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.2	173.5	-65.9	175.8	0	0	0	111.1	W401 V403 L449 A452 I453 V456 I466 I471 F484	W401-L481 PolarHBondContact O-N 3.24Å; V403-L481 WeakPolarHBondContact CG2-O 3.41Å; V403-L481 PolarHBondContact N-O 3Å; L449-L481 HydrophobicContact CD1-CD2 3.96Å; A452-L481 HydrophobicContact CB-CD1 3.69Å; A452-L481 HydrophobicContact CB-CG 3.9Å; I453-L481 HydrophobicContact CG1-CD1 4.22Å; V456-L481 HydrophobicContact CG2-CD1 4.06Å; I466-L481 HydrophobicContact CD1-CD1 4.44Å; I466-L481 HydrophobicContact CD1-CD2 4.13Å; I471-L481 HydrophobicContact CG1-CD2 3.99Å; L481-F484 HydrophobicContact CB-CE1 4.28Å; L481-F484 HydrophobicContact CB-CZ 3.8Å
482	T	91.8	Very high	79.4	Confident	21 Å²	21	33.9 Å²	33.9	13%	0.129	17%	0.172	C	C	.	.			trans	-134.6	174.4	178.3	-164.1	0	0	0	0	111.2	N470 L472	N470-T482 PolarHBondContact O-N 3.41Å; L472-T482 HydrophobicContact CD1-CG2 3.91Å; L472-T482 HydrophobicContact CD2-CG2 4.01Å; L472-T482 HydrophobicContact CG-CG2 3.65Å
483	D	81.2	Confident	77.5	Confident	52 Å²	52	32.8 Å²	32.8	28%	0.278	17%	0.166	S	C	.	.			trans	53.4	69.3	176	-157.1	18.4	0	0	0	114.6	K371 G485	K371-D483 IonicContact NZ-OD1 3.72Å; K371-D483 PolarHBondContact NZ-OD1 2.81Å; D483-G485 PolarHBondContact O-N 3.24Å
484	F	78	Confident	75.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.			trans	-78.7	21.2	176.3	-57.8	-84.2	0	0	0	113	E390 I393 L394 V402 V456 H463 L481 L486 C487	E390-F484 HydrophobicContact CB-CB 4.29Å; E390-F484 HydrophobicContact CG-CB 4.24Å; I393-F484 HydrophobicContact CD1-CD1 3.65Å; I393-F484 HydrophobicContact CD1-CE1 3.84Å; I393-F484 HydrophobicContact CD1-CG 4.26Å; I393-F484 HydrophobicContact CG2-CB 3.54Å; I393-F484 HydrophobicContact CG2-CD1 4.07Å; I393-F484 HydrophobicContact CG2-CD2 4.04Å; I393-F484 HydrophobicContact CG2-CG 3.6Å; L394-F484 HydrophobicContact CD2-CD2 3.61Å; L394-F484 HydrophobicContact CD2-CE2 3.58Å; L394-F484 HydrophobicContact CG-CD2 3.91Å; L394-F484 HydrophobicContact CG-CE2 4.37Å; V402-F484 HydrophobicContact CB-CZ 4.37Å; V402-F484 HydrophobicContact CG1-CE2 3.65Å; V402-F484 HydrophobicContact CG1-CZ 3.66Å; V402-F484 HydrophobicContact CG2-CZ 4.04Å; V456-F484 HydrophobicContact CG2-CE1 4.02Å; H463-F484 AromaticContact CD2-CD1 3.89Å; H463-F484 AromaticContact CD2-CE1 3.68Å; H463-F484 AromaticContact NE2-CD1 3.85Å; H463-F484 AromaticContact NE2-CE1 3.75Å; L481-F484 HydrophobicContact CB-CE1 4.28Å; L481-F484 HydrophobicContact CB-CZ 3.8Å; F484-L486 PolarHBondContact O-N 3.07Å; F484-L486 VanDerWaalsContact O-N 3.12Å; F484-C487 WeakPolarHBondContact CA-SG 3.49Å; F484-C487 HydrophobicContact CB-CB 4.13Å; F484-C487 WeakPolarHBondContact CB-SG 3.48Å; F484-C487 VanDerWaalsContact CD1-SG 3.55Å; F484-C487 VanDerWaalsContact O-CB 3.29Å; F484-C487 WeakPolarHBondContact O-CB 3.23Å; F484-C487 PolarHBondContact O-N 3.15Å; F484-C487 PolarHBondContact O-SG 3.31Å; F484-C487 VanDerWaalsContact O-SG 3.36Å
485	G	61.5	Low	74	Confident	19 Å²	19	34.9 Å²	34.9	20%	0.196	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.4	-173.9	0	0	0	0	0	115.7	H386 D483	H386-G485 WeakPolarHBondContact CB-O 3.33Å; D483-G485 PolarHBondContact O-N 3.24Å
486	L	61.6	Low	72.8	Confident	54 Å²	54	37.9 Å²	37.9	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	6.5	168.8	-70.9	177.4	0	0	0	112.9	R464 D465 F484	R464-L486 VanDerWaalsContact CZ-O 3.25Å; R464-L486 PolarHBondContact NE-O 3.34Å; R464-L486 PolarHBondContact NH2-O 3.33Å; D465-L486 HydrophobicContact CB-CB 4.02Å; D465-L486 HydrophobicContact CB-CD1 3.85Å; D465-L486 HydrophobicContact CB-CG 4.46Å; F484-L486 PolarHBondContact O-N 3.07Å; F484-L486 VanDerWaalsContact O-N 3.12Å
487	C	63.9	Low	71.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.			trans	-72.1	143.9	-177.3	-59.3	0	0	0	0	112	A389 I462 H463 F484	A389-C487 WeakPolarHBondContact CB-O 3.4Å; I462-C487 WeakPolarHBondContact O-CA 3.49Å; I462-C487 WeakPolarHBondContact O-CB 3.43Å; H463-C487 VanDerWaalsContact CA-SG 3.51Å; H463-C487 PolarHBondContact O-SG 3.45Å; F484-C487 WeakPolarHBondContact CA-SG 3.49Å; F484-C487 HydrophobicContact CB-CB 4.13Å; F484-C487 WeakPolarHBondContact CB-SG 3.48Å; F484-C487 VanDerWaalsContact CD1-SG 3.55Å; F484-C487 VanDerWaalsContact O-CB 3.29Å; F484-C487 WeakPolarHBondContact O-CB 3.23Å; F484-C487 PolarHBondContact O-N 3.15Å; F484-C487 PolarHBondContact O-SG 3.31Å; F484-C487 VanDerWaalsContact O-SG 3.36Å
488	T	58.7	Low	69.4	Low	32 Å²	32	45.3 Å²	45.3	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.7	170.1	45	0	0	0	0	108.7	I462 R464	I462-T488 PolarHBondContact N-O 3.47Å; I462-T488 VanDerWaalsContact N-O 3.07Å; I462-T488 PolarHBondContact O-N 3.33Å; R464-T488 WeakPolarHBondContact CD-OG1 3.35Å; R464-T488 VanDerWaalsContact CZ-CG2 3.43Å; R464-T488 PolarHBondContact NE-OG1 3.24Å
489	G	52.7	Low	67.8	Low	8 Å²	8	47 Å²	47	8%	0.082	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	158.5	161.1	0	0	0	0	0	110.7	G460 F461 R491 H494	G460-G489 WeakPolarHBondContact O-CA 3.17Å; F461-G489 VanDerWaalsContact CD1-CA 3.48Å; G489-R491 PolarHBondContact O-N 3.06Å; G489-H494 WeakPolarHBondContact CA-ND1 3.33Å; G489-H494 PolarHBondContact N-ND1 3.48Å; G489-H494 PolarHBondContact O-ND1 3.48Å; G489-H494 VanDerWaalsContact O-ND1 3.14Å
490	L	55.1	Low	66	Low	167 Å²	167	48.4 Å²	48.4	87%	0.874	23%	0.232	S	C	*	.	S	Bend	trans	-67.4	12	-179.4	-59.6	172.6	0	0	0	115.1	G460	G460-L490 PolarHBondContact O-N 3.36Å
491	R	53.1	Low	63.8	Low	82 Å²	82	55.6 Å²	55.6	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	-83	138.4	175.4	-65	-171.9	172.4	143.5	13.6	111	D392 E396 G489 T493 H494	D392-R491 IonicContact OD2-CZ 3.49Å; D392-R491 IonicContact OD2-NH1 3.13Å; D392-R491 PolarHBondContact OD2-NH1 2.76Å; E396-R491 VanDerWaalsContact CD-NH2 3.29Å; E396-R491 IonicContact OE1-CZ 3.96Å; E396-R491 VanDerWaalsContact OE1-CZ 3.25Å; E396-R491 IonicContact OE1-NH1 3.5Å; E396-R491 PolarHBondContact OE1-NH1 2.9Å; E396-R491 IonicContact OE1-NH2 2.84Å; E396-R491 PolarHBondContact OE1-NH2 3.17Å; E396-R491 IonicContact OE2-CZ 2.8Å; E396-R491 IonicContact OE2-NH1 3.07Å; E396-R491 IonicContact OE2-NH2 3.99Å; E396-R491 PolarHBondContact OE2-NH2 3.47Å; G489-R491 PolarHBondContact O-N 3.06Å; R491-T493 WeakPolarHBondContact CB-OG1 3.33Å; R491-T493 PolarHBondContact O-N 2.8Å; R491-T493 VanDerWaalsContact O-N 3.13Å; R491-H494 PolarHBondContact O-N 3.47Å
492	W	56.3	Low	61.4	Low	80 Å²	80	63 Å²	63	30%	0.303	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-53.5	-30.2	170.3	63.5	-89	0	0	0	112.9	F278 H494 D495 Y498	F278-W492 AromaticContact CD2-CH2 3.73Å; F278-W492 HydrophobicContact CD2-CH2 3.73Å; F278-W492 AromaticContact CD2-CZ3 3.63Å; F278-W492 HydrophobicContact CD2-CZ3 3.63Å; F278-W492 AromaticContact CE2-CH2 3.83Å; F278-W492 HydrophobicContact CE2-CH2 3.83Å; F278-W492 AromaticContact CE2-CZ3 3.63Å; F278-W492 HydrophobicContact CE2-CZ3 3.63Å; W492-H494 PolarHBondContact O-N 2.84Å; W492-H494 VanDerWaalsContact O-N 3.09Å; W492-D495 PolarHBondContact O-N 2.95Å; W492-Y498 HydrophobicContact CB-CE2 3.87Å; W492-Y498 HydrophobicContact CE3-CD1 4.11Å; W492-Y498 HydrophobicContact CE3-CD2 4.43Å; W492-Y498 HydrophobicContact CE3-CE1 4.21Å; W492-Y498 HydrophobicContact CE3-CG 4.22Å; W492-Y498 WeakPolarHBondContact O-CD2 3.48Å; W492-Y498 WeakPolarHBondContact O-CE2 3.15Å
493	T	56.8	Low	58.7	Low	1 Å²	1	67.9 Å²	67.9	1%	0.006	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-62	-13.8	175.6	54.6	0	0	0	0	114.9	Q282 R491 Y499	Q282-T493 VanDerWaalsContact OE1-CG2 3.23Å; R491-T493 WeakPolarHBondContact CB-OG1 3.33Å; R491-T493 PolarHBondContact O-N 2.8Å; R491-T493 VanDerWaalsContact O-N 3.13Å; T493-Y499 WeakPolarHBondContact O-CE2 3.45Å; T493-Y499 PolarHBondContact O-OH 3.13Å
494	H	61.1	Low	56.5	Low	9 Å²	9	72.3 Å²	72.3	4%	0.042	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-104.8	-2.9	177.5	-47.6	146	0	0	0	112.9	A389 D392 F461 G489 R491 W492	A389-H494 VanDerWaalsContact CA-CD2 3.48Å; A389-H494 WeakPolarHBondContact CA-CD2 3.47Å; A389-H494 HydrophobicContact CB-CB 4.23Å; D392-H494 IonicContact OD2-NE2 2.76Å; F461-H494 AromaticContact CE1-CE1 3.6Å; G489-H494 WeakPolarHBondContact CA-ND1 3.33Å; G489-H494 PolarHBondContact N-ND1 3.48Å; G489-H494 PolarHBondContact O-ND1 3.48Å; G489-H494 VanDerWaalsContact O-ND1 3.14Å; R491-H494 PolarHBondContact O-N 3.47Å; W492-H494 PolarHBondContact O-N 2.84Å; W492-H494 VanDerWaalsContact O-N 3.09Å
495	D	56.2	Low	54.4	Low	50 Å²	50	79.7 Å²	79.7	27%	0.267	39%	0.394	S	S	.	.			trans	-82.1	123.7	171	-175.8	-11.6	0	0	0	108.9	W492 K497 Y498	W492-D495 PolarHBondContact O-N 2.95Å; D495-K497 PolarHBondContact O-N 3.21Å; D495-K497 WeakPolarHBondContact OD1-CB 3.32Å; D495-K497 VanDerWaalsContact OD1-CG 3.29Å; D495-K497 WeakPolarHBondContact OD1-CG 3.46Å; D495-K497 PolarHBondContact OD1-N 2.77Å; D495-K497 IonicContact OD2-NZ 3.2Å; D495-K497 PolarHBondContact OD2-NZ 3.17Å; D495-Y498 HydrophobicContact CB-CD2 3.88Å; D495-Y498 HydrophobicContact CB-CE2 3.97Å; D495-Y498 PolarHBondContact O-N 2.64Å
496	W	65.9	Low	52.9	Low	114 Å²	114	88.3 Å²	88.3	43%	0.432	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-57.7	-29.2	-178.7	71.6	-90.9	0	0	0	112.7	Y498 Y499 A500	W496-Y498 PolarHBondContact O-N 2.71Å; W496-Y498 VanDerWaalsContact O-N 3.11Å; W496-Y499 PolarHBondContact O-N 2.59Å; W496-A500 HydrophobicContact CE3-CB 4.11Å; W496-A500 HydrophobicContact CZ3-CB 3.85Å; W496-A500 PolarHBondContact O-N 2.98Å
497	K	60.8	Low	51.3	Low	128 Å²	128	89 Å²	89	56%	0.557	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-57.1	-29	-177.3	-66.5	172.2	-162.3	148	0	113.4	D495 Y499	D495-K497 PolarHBondContact O-N 3.21Å; D495-K497 WeakPolarHBondContact OD1-CB 3.32Å; D495-K497 VanDerWaalsContact OD1-CG 3.29Å; D495-K497 WeakPolarHBondContact OD1-CG 3.46Å; D495-K497 PolarHBondContact OD1-N 2.77Å; D495-K497 IonicContact OD2-NZ 3.2Å; D495-K497 PolarHBondContact OD2-NZ 3.17Å; K497-Y499 VanDerWaalsContact C-N 3.28Å; K497-Y499 PolarHBondContact O-N 2.91Å
498	Y	57.3	Low	50	Low	118 Å²	118	96.3 Å²	96.3	46%	0.463	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-75.3	-16.2	179.9	-68.3	-84.5	0	0	0	113.8	W492 D495 W496	W492-Y498 HydrophobicContact CB-CE2 3.87Å; W492-Y498 HydrophobicContact CE3-CD1 4.11Å; W492-Y498 HydrophobicContact CE3-CD2 4.43Å; W492-Y498 HydrophobicContact CE3-CE1 4.21Å; W492-Y498 HydrophobicContact CE3-CG 4.22Å; W492-Y498 WeakPolarHBondContact O-CD2 3.48Å; W492-Y498 WeakPolarHBondContact O-CE2 3.15Å; D495-Y498 HydrophobicContact CB-CD2 3.88Å; D495-Y498 HydrophobicContact CB-CE2 3.97Å; D495-Y498 PolarHBondContact O-N 2.64Å; W496-Y498 PolarHBondContact O-N 2.71Å; W496-Y498 VanDerWaalsContact O-N 3.11Å
499	Y	62.2	Low	48.8	Very low	45 Å²	45	102.9 Å²	102.9	18%	0.176	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-4.5	177.2	-54.2	-86.4	0	0	0	112.8	F278 A384 A385 K388 T493 W496 K497 A694	F278-Y499 HydrophobicContact CE2-CE1 4.41Å; F278-Y499 AromaticContact CZ-CE1 3.92Å; F278-Y499 HydrophobicContact CZ-CE1 3.92Å; A384-Y499 HydrophobicContact CB-CD1 4.33Å; A384-Y499 HydrophobicContact CB-CG 4.46Å; A385-Y499 HydrophobicContact CB-CD2 3.8Å; A385-Y499 HydrophobicContact CB-CE2 3.64Å; K388-Y499 WeakPolarHBondContact CD-OH 3.5Å; T493-Y499 WeakPolarHBondContact O-CE2 3.45Å; T493-Y499 PolarHBondContact O-OH 3.13Å; W496-Y499 PolarHBondContact O-N 2.59Å; K497-Y499 VanDerWaalsContact C-N 3.28Å; K497-Y499 PolarHBondContact O-N 2.91Å; Y499-A694 HydrophobicContact CD1-CB 4.16Å
500	A	59.4	Low	47.9	Very low	31 Å²	31	106 Å²	106	26%	0.256	52%	0.521	S	S	.	.			trans	-75.6	123.6	173.8	0	0	0	0	0	110	W496 Q502	W496-A500 HydrophobicContact CE3-CB 4.11Å; W496-A500 HydrophobicContact CZ3-CB 3.85Å; W496-A500 PolarHBondContact O-N 2.98Å; A500-Q502 PolarHBondContact O-N 3.21Å; A500-Q502 VanDerWaalsContact O-N 3.15Å
501	E	51.4	Low	47	Very low	156 Å²	156	104.6 Å²	104.6	73%	0.729	51%	0.51	S	S	*	.	S	Bend	trans	-73.3	-5	-171.6	-62.5	-171.7	153.7	0	0	114.4	V691	E501-V691 VanDerWaalsContact OE1-CG2 3.32Å; E501-V691 WeakPolarHBondContact OE1-CG2 3.41Å
502	Q	45.7	Very low	46.2	Very low	157 Å²	157	102.8 Å²	102.8	73%	0.734	51%	0.507	S	S	*	.			trans	-144.4	119.7	176.5	-64.9	-173.6	4.8	0	0	112.6	A500 L504	A500-Q502 PolarHBondContact O-N 3.21Å; A500-Q502 VanDerWaalsContact O-N 3.15Å; Q502-L504 PolarHBondContact O-N 3.17Å
503	P	34.5	Very low	45.4	Very low	123 Å²	123	100.2 Å²	100.2	80%	0.799	50%	0.501	S	S	*	.			trans	-77.7	10	174	-18.1	33.1	0	0	0	115.8
504	L	34.9	Very low	44.6	Very low	144 Å²	144	103.3 Å²	103.3	75%	0.754	51%	0.514	S	S	*	.			trans	-124.3	85.7	-163.7	-69	174.4	0	0	0	113.4	Q502	Q502-L504 PolarHBondContact O-N 3.17Å
505	L	33.4	Very low	43.1	Very low	155 Å²	155	108.7 Å²	108.7	81%	0.812	54%	0.543	S	S	*	.				178.8	147.3	127.8	-95.9	164.4	0	0	0	110.2	G507	L505-G507 PolarHBondContact O-N 3.39Å
506	H	29.5	Very low	41.9	Very low	200 Å²	200	113.9 Å²	113.9	93%	0.926	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	126.6	-177.3	-72.4	55	0	0	0	110.7
507	G	29.1	Very low	40	Very low	69 Å²	69	113.6 Å²	113.6	71%	0.711	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	119.9	3.5	162	0	0	0	0	0	118	L505 K509	L505-G507 PolarHBondContact O-N 3.39Å; G507-K509 PolarHBondContact O-N 2.86Å
508	H	35.5	Very low	38.4	Very low	153 Å²	153	116.9 Å²	116.9	71%	0.708	59%	0.594	S	S	*	*			trans	-64	102	168	-89.1	-76.2	0	0	0	110.1
509	K	33.3	Very low	37	Very low	171 Å²	171	119.4 Å²	119.4	74%	0.743	61%	0.61	S	S	*	*			trans	-57.4	151	175.3	-66	174.9	-179.3	174.9	0	109	G507 E511	G507-K509 PolarHBondContact O-N 2.86Å; K509-E511 VanDerWaalsContact C-N 3.29Å; K509-E511 PolarHBondContact O-N 2.83Å
510	Q	35.3	Very low	35.4	Very low	74 Å²	74	124.3 Å²	124.3	35%	0.346	64%	0.644	S	S	.	*			trans	-58.7	92	167.5	177.8	-177.8	8.5	0	0	109.3	D512 R557	Q510-D512 VanDerWaalsContact CD-OD2 3.28Å; Q510-D512 HydrophobicContact CG-CB 4.5Å; Q510-D512 WeakPolarHBondContact CG-OD2 3.46Å; Q510-D512 PolarHBondContact NE2-OD2 3.43Å; Q510-D512 PolarHBondContact O-N 3.17Å; Q510-R557 PolarHBondContact O-NH1 3.47Å
511	E	34.4	Very low	33.9	Very low	137 Å²	137	131 Å²	131	64%	0.64	67%	0.67	S	S	*	*			trans	-78	62.1	168.7	-72.3	179.4	-168.3	0	0	108.9	K509	K509-E511 VanDerWaalsContact C-N 3.29Å; K509-E511 PolarHBondContact O-N 2.83Å
512	D	36.8	Very low	33.2	Very low	44 Å²	44	128 Å²	128	24%	0.235	66%	0.664	C	S	.	*			trans	-60.1	146.2	152.2	-69.8	-29.2	0	0	0	107.5	Q510 F514	Q510-D512 VanDerWaalsContact CD-OD2 3.28Å; Q510-D512 HydrophobicContact CG-CB 4.5Å; Q510-D512 WeakPolarHBondContact CG-OD2 3.46Å; Q510-D512 PolarHBondContact NE2-OD2 3.43Å; Q510-D512 PolarHBondContact O-N 3.17Å; D512-F514 PolarHBondContact O-N 3.08Å
513	S	40.7	Very low	32.6	Very low	26 Å²	26	128.8 Å²	128.8	18%	0.182	67%	0.668	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	40.2	-168.4	-62.7	0	0	0	0	117.1	V544	S513-V544 WeakPolarHBondContact O-CG2 3.47Å
514	F	39.2	Very low	32.4	Very low	65 Å²	65	131.7 Å²	131.7	29%	0.285	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.4	-16.2	-170.5	-90.9	-80.8	0	0	0	115.9	D512 V544 P547 I550	D512-F514 PolarHBondContact O-N 3.08Å; F514-V544 HydrophobicContact CD1-CG1 3.67Å; F514-V544 HydrophobicContact CE1-CG1 3.9Å; F514-V544 HydrophobicContact CG-CG1 4.36Å; F514-P547 HydrophobicContact CE1-CB 4.23Å; F514-I550 HydrophobicContact CE1-CD1 4Å; F514-I550 HydrophobicContact CE2-CD1 4.16Å; F514-I550 HydrophobicContact CZ-CD1 3.37Å
515	D	29.6	Very low	32.4	Very low	123 Å²	123	132.4 Å²	132.4	66%	0.658	67%	0.669	S	S	*	*			trans	-98.4	100.4	-176.8	-73.5	-38.9	0	0	0	111.9
516	L	30.2	Very low	32.5	Very low	159 Å²	159	130.4 Å²	130.4	83%	0.832	66%	0.655	S	S	*	*			trans	175.6	112.6	138.1	-96.7	163.7	0	0	0	110.5
517	L	26.3	Very low	33.4	Very low	107 Å²	107	128.6 Å²	128.6	56%	0.56	64%	0.644	S	S	*	*			trans	-97.8	139.4	174.5	-66.2	163.1	0	0	0	110.7	P588 E589	L517-P588 HydrophobicContact CD2-CG 4.11Å; L517-E589 HydrophobicContact CD1-CG 3.92Å; L517-E589 WeakPolarHBondContact CD1-OE1 3.46Å; L517-E589 WeakPolarHBondContact CD2-OE1 3.36Å
518	Q	28	Very low	34.4	Very low	197 Å²	197	128.7 Å²	128.7	92%	0.921	63%	0.631	S	S	*	*			trans	-138	133.6	148.8	-153.8	154.5	35	0	0	110
519	Q	27.8	Very low	35.1	Very low	172 Å²	172	122.6 Å²	122.6	80%	0.804	60%	0.604	S	S	*	*			trans	-88.1	142.4	-162.5	-63.9	164	-28.9	0	0	112.1
520	V	28.9	Very low	35.8	Very low	147 Å²	147	118.2 Å²	118.2	89%	0.891	59%	0.589	S	S	*	*			trans	-142.3	118	157.7	-174	0	0	0	0	108.9
521	E	27.5	Very low	36.4	Very low	171 Å²	171	119 Å²	119	80%	0.799	59%	0.589	S	S	*	*			trans	-95.8	-177.2	170.1	-66.3	-162.5	147.4	0	0	110.9
522	P	36.5	Very low	37.2	Very low	94 Å²	94	112.9 Å²	112.9	61%	0.61	56%	0.56	S	S	*	*				-127.8	-173	-57.6	36.2	-21.3	0	0	0	110.8
523	Q	33.1	Very low	37.9	Very low	173 Å²	173	114.5 Å²	114.5	81%	0.808	57%	0.566	S	S	*	*			trans	167.4	138.3	134.7	-90.4	163.4	16.8	0	0	111.8
524	Y	29.2	Very low	38.3	Very low	185 Å²	185	120.7 Å²	120.7	73%	0.725	59%	0.585	S	S	*	*			trans	-96.3	127.1	-174.8	-79.6	-103.7	0	0	0	112.1	N586	Y524-N586 PolarHBondContact OH-ND2 3.45Å
525	N	35.3	Very low	38.8	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	59%	0.586	S	S	*	*			trans	171.9	37.2	146.6	-97	-19.7	0	0	0	114.3
526	H	36.6	Very low	39.9	Very low	112 Å²	112	117 Å²	117	52%	0.519	56%	0.564	S	S	.	*	S	Bend	trans	-125.9	153.6	178.8	-65.1	-14	0	0	0	111	D530 R534	H526-D530 HydrophobicContact CB-CB 4.44Å; H526-R534 PolarHBondContact CD2-NH2 3.09Å; H526-R534 PolarHBondContact NE2-NH2 3.03Å
527	K	48.2	Very low	40.7	Very low	162 Å²	162	113.9 Å²	113.9	70%	0.704	54%	0.541	S	S	*	.			trans	-58	143	175.7	-57.5	174.8	179	174.5	0	108.5	L529 D530 Y531	K527-L529 PolarHBondContact O-N 3.38Å; K527-L529 VanDerWaalsContact O-N 3.08Å; K527-D530 WeakPolarHBondContact CB-OD2 3.27Å; K527-D530 WeakPolarHBondContact O-CB 3.36Å; K527-D530 PolarHBondContact O-N 2.92Å; K527-Y531 PolarHBondContact O-N 3.43Å
528	V	50.3	Low	41.4	Very low	71 Å²	71	113 Å²	113	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-55.8	-35.2	-171.5	179	0	0	0	0	112.1	R532 H580 L584	V528-R532 VanDerWaalsContact O-CB 3.23Å; V528-R532 WeakPolarHBondContact O-CB 3.29Å; V528-R532 PolarHBondContact O-N 2.95Å; V528-H580 HydrophobicContact CG1-CB 4.15Å; V528-L584 HydrophobicContact CG1-CD2 3.65Å
529	L	49.3	Very low	42.1	Very low	25 Å²	25	105.2 Å²	105.2	13%	0.131	51%	0.506	C	S	.	.	H	α-helix	trans	-70	-38.6	175.4	-65.2	173.3	0	0	0	113.6	G435 K527 R532 H533 G579	G435-L529 WeakPolarHBondContact O-CD1 3.44Å; K527-L529 PolarHBondContact O-N 3.38Å; K527-L529 VanDerWaalsContact O-N 3.08Å; L529-R532 CarbonylContact O-C 3.49Å; L529-R532 PolarHBondContact O-N 2.85Å; L529-H533 PolarHBondContact O-N 2.9Å; L529-G579 WeakPolarHBondContact CD2-O 3.41Å
530	D	49.3	Very low	42.7	Very low	80 Å²	80	99.2 Å²	99.2	43%	0.428	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-42.7	175.8	-58.2	-32	0	0	0	111	H526 K527 R532 H533 R534	H526-D530 HydrophobicContact CB-CB 4.44Å; K527-D530 WeakPolarHBondContact CB-OD2 3.27Å; K527-D530 WeakPolarHBondContact O-CB 3.36Å; K527-D530 PolarHBondContact O-N 2.92Å; D530-R532 PolarHBondContact O-N 2.82Å; D530-H533 PolarHBondContact O-N 3.21Å; D530-R534 PolarHBondContact O-N 3.28Å; D530-R534 VanDerWaalsContact O-N 3.15Å
531	Y	46.6	Very low	43.1	Very low	91 Å²	91	97.3 Å²	97.3	36%	0.357	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-40.3	172	177.1	-100.9	0	0	0	111.1	K527 R534 K535	K527-Y531 PolarHBondContact O-N 3.43Å; Y531-R534 PolarHBondContact O-N 3.43Å; Y531-K535 HydrophobicContact CE1-CD 3.74Å; Y531-K535 PolarHBondContact O-N 3.33Å; Y531-K535 WeakPolarHBondContact OH-CE 3.21Å; Y531-K535 PolarHBondContact OH-NZ 3.45Å
532	R	51.9	Low	43.3	Very low	8 Å²	8	92 Å²	92	3%	0.03	45%	0.449	C	S	.	.	H	α-helix	trans	-73.2	-36.8	179.3	-164.9	171.7	-176.8	-162.1	3.1	113	M428 V528 L529 D530 R534 K535 Q536 Y549 E575	M428-R532 HydrophobicContact CE-CG 3.92Å; V528-R532 VanDerWaalsContact O-CB 3.23Å; V528-R532 WeakPolarHBondContact O-CB 3.29Å; V528-R532 PolarHBondContact O-N 2.95Å; L529-R532 CarbonylContact O-C 3.49Å; L529-R532 PolarHBondContact O-N 2.85Å; D530-R532 PolarHBondContact O-N 2.82Å; R532-R534 VanDerWaalsContact C-N 3.29Å; R532-R534 PolarHBondContact O-N 3.46Å; R532-K535 CarbonylContact O-C 3.53Å; R532-K535 PolarHBondContact O-N 2.96Å; R532-Q536 WeakPolarHBondContact O-CB 3.29Å; R532-Q536 PolarHBondContact O-N 3.49Å; R532-Y549 PolarHBondContact NH2-OH 2.87Å; R532-E575 IonicContact CZ-OE1 3.65Å; R532-E575 IonicContact CZ-OE2 3.66Å; R532-E575 IonicContact NH1-OE1 3.16Å; R532-E575 PolarHBondContact NH1-OE1 2.82Å; R532-E575 IonicContact NH1-OE2 3.95Å; R532-E575 PolarHBondContact NH1-OE2 3.32Å; R532-E575 IonicContact NH2-OE1 3.26Å; R532-E575 IonicContact NH2-OE2 2.78Å; R532-E575 PolarHBondContact NH2-OE2 3.12Å; R532-E575 VanDerWaalsContact NH2-OE2 3.13Å
533	H	51.7	Low	43	Very low	77 Å²	77	90.8 Å²	90.8	36%	0.356	44%	0.437	S	S	.	.	H	α-helix	trans	-56.2	-46.6	170.8	-177	-144.2	0	0	0	110.2	I432 L529 D530 Q536 R537 D673	I432-H533 HydrophobicContact CD1-CB 4.23Å; L529-H533 PolarHBondContact O-N 2.9Å; D530-H533 PolarHBondContact O-N 3.21Å; H533-Q536 PolarHBondContact O-N 2.96Å; H533-R537 PolarHBondContact NE2-NH1 2.84Å; H533-R537 WeakPolarHBondContact O-CG 3.42Å; H533-R537 PolarHBondContact O-N 3.47Å; H533-R537 VanDerWaalsContact O-N 3.12Å; H533-D673 IonicContact CD2-OD2 2.72Å; H533-D673 IonicContact CE1-OD1 3.59Å; H533-D673 IonicContact NE2-OD1 3.17Å; H533-D673 PolarHBondContact NE2-OD1 2.4Å; H533-D673 IonicContact NE2-OD2 3.6Å; H533-D673 PolarHBondContact NE2-OD2 3.36Å
534	R	49.4	Very low	43.5	Very low	157 Å²	157	84.3 Å²	84.3	59%	0.592	41%	0.409	S	S	*	.	H	α-helix	trans	-60.7	-48.7	174.8	-161.5	179.8	-63.5	173.4	5.7	112.4	H526 D530 Y531 R532 Q536	H526-R534 PolarHBondContact CD2-NH2 3.09Å; H526-R534 PolarHBondContact NE2-NH2 3.03Å; D530-R534 PolarHBondContact O-N 3.28Å; D530-R534 VanDerWaalsContact O-N 3.15Å; Y531-R534 PolarHBondContact O-N 3.43Å; R532-R534 VanDerWaalsContact C-N 3.29Å; R532-R534 PolarHBondContact O-N 3.46Å; R534-Q536 PolarHBondContact O-N 2.88Å
535	K	50	Low	44.6	Very low	69 Å²	69	77.2 Å²	77.2	30%	0.3	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-27.9	177.4	-104.8	-173.3	174	172.4	0	113.6	Y531 R532 K539 N586	Y531-K535 HydrophobicContact CE1-CD 3.74Å; Y531-K535 PolarHBondContact O-N 3.33Å; Y531-K535 WeakPolarHBondContact OH-CE 3.21Å; Y531-K535 PolarHBondContact OH-NZ 3.45Å; R532-K535 CarbonylContact O-C 3.53Å; R532-K535 PolarHBondContact O-N 2.96Å; K535-K539 VanDerWaalsContact O-CG 3.28Å; K535-K539 WeakPolarHBondContact O-CG 3.28Å; K535-K539 PolarHBondContact O-N 2.78Å; K535-K539 VanDerWaalsContact O-N 3.09Å; K535-N586 PolarHBondContact NZ-O 3.42Å
536	Q	51.6	Low	45.8	Very low	41 Å²	41	70.7 Å²	70.7	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-76.6	-38.1	-178.3	-166.7	70.5	2.5	0	0	111.2	R532 H533 R534 C538 K539 A540	R532-Q536 WeakPolarHBondContact O-CB 3.29Å; R532-Q536 PolarHBondContact O-N 3.49Å; H533-Q536 PolarHBondContact O-N 2.96Å; R534-Q536 PolarHBondContact O-N 2.88Å; Q536-C538 VanDerWaalsContact C-N 3.27Å; Q536-C538 PolarHBondContact O-N 3.33Å; Q536-K539 PolarHBondContact O-N 2.88Å; Q536-A540 PolarHBondContact O-N 3.41Å
537	R	46.7	Very low	47.9	Very low	93 Å²	93	65.5 Å²	65.5	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-56.4	-43	171	-67	175	82	89.4	0.3	111.1	H533 H541 D673 P674	H533-R537 PolarHBondContact NE2-NH1 2.84Å; H533-R537 WeakPolarHBondContact O-CG 3.42Å; H533-R537 PolarHBondContact O-N 3.47Å; H533-R537 VanDerWaalsContact O-N 3.12Å; R537-H541 PolarHBondContact O-CD2 3.46Å; R537-D673 IonicContact NH1-OD1 2.72Å; R537-D673 PolarHBondContact NH1-OD1 3.09Å; R537-D673 IonicContact NH1-OD2 3.85Å; R537-D673 PolarHBondContact NH1-OD2 3.12Å; R537-P674 PolarHBondContact NH2-O 3.32Å
538	C	41.1	Very low	49.7	Very low	88 Å²	88	58 Å²	58	60%	0.595	30%	0.302	S	S	*	.	H	α-helix	trans	-65.8	-35.9	172.9	-58.2	0	0	0	0	113.7	Q536 S542	Q536-C538 VanDerWaalsContact C-N 3.27Å; Q536-C538 PolarHBondContact O-N 3.33Å; C538-S542 PolarHBondContact O-N 3.36Å
539	K	43.2	Very low	51.6	Low	34 Å²	34	55.5 Å²	55.5	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-74.6	-35.2	179.5	-73.3	166.4	-164.3	173	0	113.8	K535 Q536 H541 S542 T546	K535-K539 VanDerWaalsContact O-CG 3.28Å; K535-K539 WeakPolarHBondContact O-CG 3.28Å; K535-K539 PolarHBondContact O-N 2.78Å; K535-K539 VanDerWaalsContact O-N 3.09Å; Q536-K539 PolarHBondContact O-N 2.88Å; K539-H541 PolarHBondContact O-N 2.92Å; K539-H541 VanDerWaalsContact O-N 3.17Å; K539-S542 PolarHBondContact O-N 3.26Å; K539-S542 VanDerWaalsContact O-O 3.11Å; K539-T546 VanDerWaalsContact CE-OG1 3.23Å; K539-T546 WeakPolarHBondContact CE-OG1 3.44Å; K539-T546 PolarHBondContact NZ-OG1 3.31Å
540	A	39.8	Very low	53.5	Low	47 Å²	47	55.4 Å²	55.4	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-24.5	175.1	0	0	0	0	0	112.5	Q536	Q536-A540 PolarHBondContact O-N 3.41Å
541	H	37.7	Very low	55.5	Low	106 Å²	106	51.6 Å²	51.6	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.6	172.8	-59.5	-41.7	0	0	0	114.2	R537 K539	R537-H541 PolarHBondContact O-CD2 3.46Å; K539-H541 PolarHBondContact O-N 2.92Å; K539-H541 VanDerWaalsContact O-N 3.17Å
542	S	31.3	Very low	57.7	Low	60 Å²	60	47.7 Å²	47.7	42%	0.42	25%	0.25	S	C	.	.	S	Bend	trans	-96.3	158.7	-177.2	-172.3	0	0	0	0	111.9	C538 K539 V544	C538-S542 PolarHBondContact O-N 3.36Å; K539-S542 PolarHBondContact O-N 3.26Å; K539-S542 VanDerWaalsContact O-O 3.11Å; S542-V544 VanDerWaalsContact C-N 3.27Å; S542-V544 PolarHBondContact OG-N 2.84Å
543	L	31.4	Very low	59.5	Low	69 Å²	69	47.7 Å²	47.7	36%	0.361	25%	0.25	S	S	.	.	S	Bend	trans	-70.8	-25.5	173.6	-140.5	80.1	0	0	0	112.5	A352 F353 K381	A352-L543 HydrophobicContact CB-CD1 3.74Å; F353-L543 HydrophobicContact CZ-CD1 4.48Å; K381-L543 HydrophobicContact CD-CD1 3.84Å; K381-L543 VanDerWaalsContact NZ-CD1 3.28Å
544	V	42.3	Very low	61.2	Low	37 Å²	37	45.6 Å²	45.6	22%	0.224	24%	0.243	C	C	.	.			trans	-120.9	112	-167.2	-150.9	0	0	0	0	110.7	S513 F514 S542	S513-V544 WeakPolarHBondContact O-CG2 3.47Å; F514-V544 HydrophobicContact CD1-CG1 3.67Å; F514-V544 HydrophobicContact CE1-CG1 3.9Å; F514-V544 HydrophobicContact CG-CG1 4.36Å; S542-V544 VanDerWaalsContact C-N 3.27Å; S542-V544 PolarHBondContact OG-N 2.84Å
545	G	52.3	Low	62.8	Low	36 Å²	36	39.8 Å²	39.8	37%	0.371	22%	0.223	S	C	.	.			trans	-78.1	170	167.7	0	0	0	0	0	112
546	T	62.4	Low	64.4	Low	22 Å²	22	40.6 Å²	40.6	14%	0.135	23%	0.23	C	C	.	.			trans	-75.3	129.3	167.4	-61.8	0	0	0	0	108.6	K539 N548 T591	K539-T546 VanDerWaalsContact CE-OG1 3.23Å; K539-T546 WeakPolarHBondContact CE-OG1 3.44Å; K539-T546 PolarHBondContact NZ-OG1 3.31Å; T546-N548 WeakPolarHBondContact CB-ND2 3.27Å; T546-N548 VanDerWaalsContact CG2-ND2 3.33Å; T546-N548 WeakPolarHBondContact CG2-ND2 3.1Å; T546-N548 PolarHBondContact O-N 3.06Å; T546-N548 PolarHBondContact O-ND2 3.24Å; T546-T591 HydrophobicContact CG2-CG2 3.9Å
547	P	80.2	Confident	65.7	Low	3 Å²	3	43.8 Å²	43.8	2%	0.019	24%	0.241	C	C	.	.			trans	-77.1	38.7	-169.5	30.1	-34.3	0	0	0	114.3	F514 Y549 I550 L555 T591 Q592	F514-P547 HydrophobicContact CE1-CB 4.23Å; P547-Y549 VanDerWaalsContact C-N 3.28Å; P547-Y549 PolarHBondContact O-N 3.37Å; P547-I550 HydrophobicContact CB-CB 4.34Å; P547-I550 HydrophobicContact CB-CD1 3.56Å; P547-I550 HydrophobicContact CB-CG1 4Å; P547-I550 PolarHBondContact O-N 2.82Å; P547-L555 HydrophobicContact CB-CD2 4.28Å; P547-T591 HydrophobicContact CG-CG2 4.17Å; P547-Q592 HydrophobicContact CB-CG 4.45Å; P547-Q592 HydrophobicContact CG-CG 3.49Å; P547-Q592 VanDerWaalsContact CG-CG 3.49Å
548	N	85	Confident	67.1	Low	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.7	-174.7	-64.9	-65.2	0	0	0	113.3	T546 V571 P581	T546-N548 WeakPolarHBondContact CB-ND2 3.27Å; T546-N548 VanDerWaalsContact CG2-ND2 3.33Å; T546-N548 WeakPolarHBondContact CG2-ND2 3.1Å; T546-N548 PolarHBondContact O-N 3.06Å; T546-N548 PolarHBondContact O-ND2 3.24Å; N548-V571 WeakPolarHBondContact O-CG1 3.4Å; N548-P581 HydrophobicContact CB-CB 3.96Å; N548-P581 HydrophobicContact CB-CG 4.06Å
549	Y	91.6	Very high	68.5	Low	19 Å²	19	43.7 Å²	43.7	8%	0.075	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.9	-172.7	-50	-75.6	0	0	0	113.9	I466 K467 P468 R532 P547 S568 V571 I572 E575	I466-Y549 VanDerWaalsContact O-CB 3.31Å; I466-Y549 WeakPolarHBondContact O-CB 3.38Å; K467-Y549 HydrophobicContact CB-CD2 3.44Å; K467-Y549 VanDerWaalsContact CB-CD2 3.44Å; K467-Y549 HydrophobicContact CB-CE2 3.67Å; K467-Y549 HydrophobicContact CB-CG 3.99Å; P468-Y549 WeakPolarHBondContact CD-OH 3.42Å; P468-Y549 HydrophobicContact CG-CE1 4.15Å; P468-Y549 WeakPolarHBondContact CG-OH 3.27Å; R532-Y549 PolarHBondContact NH2-OH 2.87Å; P547-Y549 VanDerWaalsContact C-N 3.28Å; P547-Y549 PolarHBondContact O-N 3.37Å; Y549-S568 WeakPolarHBondContact O-CB 3.32Å; Y549-S568 PolarHBondContact O-OG 2.93Å; Y549-V571 HydrophobicContact CD1-CB 4.06Å; Y549-V571 HydrophobicContact CD1-CG1 3.37Å; Y549-V571 HydrophobicContact CE1-CG1 3.86Å; Y549-V571 HydrophobicContact CG-CG1 4.26Å; Y549-I572 HydrophobicContact CD1-CG1 3.78Å; Y549-I572 HydrophobicContact CE1-CG1 3.83Å; Y549-E575 VanDerWaalsContact CE1-OE2 3.31Å; Y549-E575 WeakPolarHBondContact CE1-OE2 3.31Å; Y549-E575 VanDerWaalsContact CZ-OE2 3.32Å; Y549-E575 PolarHBondContact OH-OE2 2.61Å
550	I	89.4	Confident	70.2	Confident	22 Å²	22	44.6 Å²	44.6	11%	0.113	26%	0.256	C	S	.	.			trans	-79.8	137.3	-173.2	-53.9	-173.4	0	0	0	109.2	F514 P547 V554 L555 W567 V595	F514-I550 HydrophobicContact CE1-CD1 4Å; F514-I550 HydrophobicContact CE2-CD1 4.16Å; F514-I550 HydrophobicContact CZ-CD1 3.37Å; P547-I550 HydrophobicContact CB-CB 4.34Å; P547-I550 HydrophobicContact CB-CD1 3.56Å; P547-I550 HydrophobicContact CB-CG1 4Å; P547-I550 PolarHBondContact O-N 2.82Å; I550-V554 HydrophobicContact CG2-CB 3.78Å; I550-V554 HydrophobicContact CG2-CG1 3.79Å; I550-L555 HydrophobicContact CB-CD2 4.32Å; I550-L555 HydrophobicContact CB-CG 4.4Å; I550-L555 HydrophobicContact CD1-CD2 4.47Å; I550-L555 HydrophobicContact CG2-CD2 3.87Å; I550-L555 HydrophobicContact CG2-CG 3.9Å; I550-W567 PolarHBondContact O-NE1 2.79Å; I550-V595 WeakPolarHBondContact O-CG1 3.37Å
551	A	91	Very high	72.4	Confident	1 Å²	1	46 Å²	46	1%	0.008	26%	0.26	C	S	.	.			trans	-72.9	146	177.9	0	0	0	0	0	111.8	E553 V554 L555 C564 W567	A551-E553 VanDerWaalsContact C-N 3.27Å; A551-E553 HydrophobicContact CB-CG 4.46Å; A551-E553 VanDerWaalsContact CB-OE1 3.29Å; A551-E553 WeakPolarHBondContact CB-OE1 3.44Å; A551-E553 PolarHBondContact O-N 2.9Å; A551-V554 HydrophobicContact CB-CG2 4.22Å; A551-V554 WeakPolarHBondContact O-CB 3.46Å; A551-V554 PolarHBondContact O-N 2.69Å; A551-L555 PolarHBondContact O-N 3.29Å; A551-C564 HydrophobicContact CB-CB 3.72Å; A551-W567 VanDerWaalsContact CA-CD1 3.44Å; A551-W567 HydrophobicContact CB-CB 3.79Å; A551-W567 HydrophobicContact CB-CD2 4.36Å; A551-W567 HydrophobicContact CB-CG 3.74Å
552	P	91.8	Very high	74.9	Confident	8 Å²	8	43.2 Å²	43.2	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-35.9	-177	23	-33.4	0	0	0	112.5	V554 L555 L556 W567 V595	P552-V554 VanDerWaalsContact C-N 3.26Å; P552-V554 PolarHBondContact O-N 3.23Å; P552-L555 PolarHBondContact O-N 3.04Å; P552-L556 WeakPolarHBondContact O-CB 3.22Å; P552-L556 VanDerWaalsContact O-CG 3.22Å; P552-L556 WeakPolarHBondContact O-CG 3.35Å; P552-L556 PolarHBondContact O-N 3.09Å; P552-W567 HydrophobicContact CG-CE3 4.4Å; P552-W567 HydrophobicContact CG-CH2 4Å; P552-W567 HydrophobicContact CG-CZ2 4.3Å; P552-W567 HydrophobicContact CG-CZ3 4.04Å; P552-V595 HydrophobicContact CB-CG1 4.24Å
553	E	89.8	Confident	77.8	Confident	9 Å²	9	41.1 Å²	41.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-27.2	176.6	66.3	-84.5	-169.8	0	0	113.8	A551 R557 I558 H560 R628	A551-E553 VanDerWaalsContact C-N 3.27Å; A551-E553 HydrophobicContact CB-CG 4.46Å; A551-E553 VanDerWaalsContact CB-OE1 3.29Å; A551-E553 WeakPolarHBondContact CB-OE1 3.44Å; A551-E553 PolarHBondContact O-N 2.9Å; E553-R557 PolarHBondContact O-N 3.08Å; E553-I558 HydrophobicContact CB-CD1 4.09Å; E553-I558 HydrophobicContact CB-CG1 4.07Å; E553-H560 HydrophobicContact CG-CB 4.04Å; E553-R628 IonicContact OE1-CZ 2.77Å; E553-R628 IonicContact OE1-NH1 2.68Å; E553-R628 PolarHBondContact OE1-NH1 2.87Å; E553-R628 IonicContact OE1-NH2 3.17Å; E553-R628 PolarHBondContact OE1-NH2 3.4Å; E553-R628 IonicContact OE2-CZ 3.17Å; E553-R628 IonicContact OE2-NH1 3.58Å; E553-R628 IonicContact OE2-NH2 3.29Å; E553-R628 PolarHBondContact OE2-NH2 3.26Å
554	V	86.7	Confident	80.7	Confident	33 Å²	33	38 Å²	38	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-74.4	-45.7	174.6	179.8	0	0	0	0	110	I550 A551 P552 L556 R557 H560 C564	I550-V554 HydrophobicContact CG2-CB 3.78Å; I550-V554 HydrophobicContact CG2-CG1 3.79Å; A551-V554 HydrophobicContact CB-CG2 4.22Å; A551-V554 WeakPolarHBondContact O-CB 3.46Å; A551-V554 PolarHBondContact O-N 2.69Å; P552-V554 VanDerWaalsContact C-N 3.26Å; P552-V554 PolarHBondContact O-N 3.23Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 2.94Å; V554-R557 PolarHBondContact O-N 2.79Å; V554-H560 HydrophobicContact CG2-CB 3.82Å; V554-C564 HydrophobicContact CG2-CB 3.67Å
555	L	83	Confident	83.2	Confident	35 Å²	35	36.2 Å²	36.2	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-38.7	175.5	-67.1	-179.4	0	0	0	112.6	P547 I550 A551 P552 R557 Q592 V595 I596	P547-L555 HydrophobicContact CB-CD2 4.28Å; I550-L555 HydrophobicContact CB-CD2 4.32Å; I550-L555 HydrophobicContact CB-CG 4.4Å; I550-L555 HydrophobicContact CD1-CD2 4.47Å; I550-L555 HydrophobicContact CG2-CD2 3.87Å; I550-L555 HydrophobicContact CG2-CG 3.9Å; A551-L555 PolarHBondContact O-N 3.29Å; P552-L555 PolarHBondContact O-N 3.04Å; L555-R557 VanDerWaalsContact C-N 3.26Å; L555-R557 PolarHBondContact O-N 3Å; L555-Q592 HydrophobicContact CD1-CB 4.34Å; L555-Q592 HydrophobicContact CD1-CG 4.23Å; L555-Q592 HydrophobicContact CD2-CG 4.34Å; L555-V595 HydrophobicContact CD1-CB 3.83Å; L555-V595 HydrophobicContact CD1-CG1 3.57Å; L555-I596 HydrophobicContact CD1-CG1 4.49Å
556	L	83.7	Confident	85.4	Confident	86 Å²	86	34.5 Å²	34.5	45%	0.45	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.6	179.2	-68.6	170.7	0	0	0	113.6	P552 V554 I558 I596	P552-L556 WeakPolarHBondContact O-CB 3.22Å; P552-L556 VanDerWaalsContact O-CG 3.22Å; P552-L556 WeakPolarHBondContact O-CG 3.35Å; P552-L556 PolarHBondContact O-N 3.09Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 2.94Å; L556-I558 HydrophobicContact CB-CD1 4.45Å; L556-I558 HydrophobicContact CB-CG1 4.22Å; L556-I558 HydrophobicContact CB-CG2 4.11Å; L556-I558 PolarHBondContact O-N 2.88Å; L556-I558 VanDerWaalsContact O-N 3.12Å; L556-I596 HydrophobicContact CD2-CD1 4.24Å; L556-I596 HydrophobicContact CD2-CG1 4.23Å; L556-I596 HydrophobicContact CD2-CG2 4.21Å; L556-I596 HydrophobicContact CG-CG1 4.43Å
557	R	79.8	Confident	87	Confident	107 Å²	107	33.4 Å²	33.4	40%	0.404	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23	179	-48.9	-176.6	-173.8	-157.9	0.2	114.7	Q510 E553 V554 L555 G559	Q510-R557 PolarHBondContact O-NH1 3.47Å; E553-R557 PolarHBondContact O-N 3.08Å; V554-R557 PolarHBondContact O-N 2.79Å; L555-R557 VanDerWaalsContact C-N 3.26Å; L555-R557 PolarHBondContact O-N 3Å; R557-G559 PolarHBondContact O-N 3Å; R557-G559 VanDerWaalsContact O-N 3.12Å
558	I	75.2	Confident	87.8	Confident	130 Å²	130	33.4 Å²	33.4	67%	0.667	18%	0.18	S	C	*	.	S	Bend	trans	-79.5	14.7	-177.8	56.4	174.2	0	0	0	114.1	E553 L556	E553-I558 HydrophobicContact CB-CD1 4.09Å; E553-I558 HydrophobicContact CB-CG1 4.07Å; L556-I558 HydrophobicContact CB-CD1 4.45Å; L556-I558 HydrophobicContact CB-CG1 4.22Å; L556-I558 HydrophobicContact CB-CG2 4.11Å; L556-I558 PolarHBondContact O-N 2.88Å; L556-I558 VanDerWaalsContact O-N 3.12Å
559	G	71.7	Confident	88.4	Confident	49 Å²	49	33.2 Å²	33.2	51%	0.505	18%	0.179	S	C	.	.			trans	82.1	148.4	-161.6	0	0	0	0	0	111.7	R557	R557-G559 PolarHBondContact O-N 3Å; R557-G559 VanDerWaalsContact O-N 3.12Å
560	H	78.4	Confident	88.7	Confident	53 Å²	53	32.3 Å²	32.3	25%	0.245	18%	0.176	C	C	.	.			trans	-142.1	157.2	178.3	54.2	-89.8	0	0	0	109.9	R464 E553 V554	R464-H560 WeakPolarHBondContact CD-NE2 3.49Å; R464-H560 PolarHBondContact NH1-NE2 2.87Å; E553-H560 HydrophobicContact CG-CB 4.04Å; V554-H560 HydrophobicContact CG2-CB 3.82Å
561	T	86.1	Confident	89	Confident	77 Å²	77	31.3 Å²	31.3	47%	0.472	17%	0.17	S	C	.	.			trans	-120.7	-177.3	175.1	63.5	0	0	0	0	109.3	L563 C564	T561-L563 PolarHBondContact O-N 3.04Å; T561-L563 WeakPolarHBondContact OG1-CG 3.31Å; T561-L563 PolarHBondContact OG1-N 3Å; T561-C564 PolarHBondContact O-N 3.18Å; T561-C564 VanDerWaalsContact O-N 3.14Å; T561-C564 PolarHBondContact O-SG 3.12Å
562	Q	89.7	Confident	89.3	Confident	48 Å²	48	31.2 Å²	31.2	22%	0.224	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-13	175.9	76.2	-167.7	18.3	0	0	114.6	H457 I462 C564 D565 E634	H457-Q562 PolarHBondContact CE1-O 3.2Å; H457-Q562 VanDerWaalsContact CE1-O 3.31Å; I462-Q562 HydrophobicContact CD1-CB 4.38Å; I462-Q562 HydrophobicContact CG1-CB 4Å; Q562-C564 PolarHBondContact O-N 3.05Å; Q562-D565 PolarHBondContact O-N 3.12Å; Q562-E634 PolarHBondContact NE2-OE1 3.1Å
563	L	93.2	Very high	89.6	Confident	15 Å²	15	30.9 Å²	30.9	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-21.2	174.9	-55.4	-177.4	0	0	0	113.8	T561 D565 W566 W567 P625 R628 G630 K631	T561-L563 PolarHBondContact O-N 3.04Å; T561-L563 WeakPolarHBondContact OG1-CG 3.31Å; T561-L563 PolarHBondContact OG1-N 3Å; L563-D565 VanDerWaalsContact C-N 3.25Å; L563-D565 PolarHBondContact O-N 3.22Å; L563-W566 PolarHBondContact O-N 3.05Å; L563-W567 PolarHBondContact O-N 3.39Å; L563-P625 HydrophobicContact CD1-CB 4.36Å; L563-R628 VanDerWaalsContact C-NH1 3.3Å; L563-R628 WeakPolarHBondContact O-CD 3.43Å; L563-R628 PolarHBondContact O-NH1 2.85Å; L563-G630 VanDerWaalsContact CD2-C 3.48Å; L563-G630 VanDerWaalsContact CD2-O 3.26Å; L563-G630 WeakPolarHBondContact CD2-O 3.37Å; L563-K631 HydrophobicContact CD1-CB 4.07Å; L563-K631 HydrophobicContact CD1-CG 4.26Å; L563-K631 HydrophobicContact CD2-CB 4.49Å
564	C	92.5	Very high	89.9	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-32.8	175.9	63.6	0	0	0	0	112.3	A551 V554 T561 Q562 W566 W567 S568	A551-C564 HydrophobicContact CB-CB 3.72Å; V554-C564 HydrophobicContact CG2-CB 3.67Å; T561-C564 PolarHBondContact O-N 3.18Å; T561-C564 VanDerWaalsContact O-N 3.14Å; T561-C564 PolarHBondContact O-SG 3.12Å; Q562-C564 PolarHBondContact O-N 3.05Å; C564-W566 VanDerWaalsContact C-N 3.32Å; C564-W566 PolarHBondContact O-N 3.12Å; C564-W567 WeakPolarHBondContact O-CB 3.4Å; C564-W567 PolarHBondContact O-N 3.21Å; C564-S568 PolarHBondContact O-N 3.27Å; C564-S568 PolarHBondContact O-OG 2.87Å
565	D	94.7	Very high	90.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-33.4	176.6	-64.1	-24.6	0	0	0	111.3	I453 H457 I462 H463 R464 I466 Q562 L563 S568 V569	I453-D565 HydrophobicContact CG2-CB 3.85Å; H457-D565 IonicContact CD2-OD2 2.67Å; H457-D565 IonicContact CE1-OD2 3.79Å; H457-D565 IonicContact NE2-OD2 3.56Å; H457-D565 PolarHBondContact NE2-OD2 3.44Å; I462-D565 WeakPolarHBondContact CG2-OD2 3.42Å; H463-D565 PolarHBondContact N-OD2 3.36Å; R464-D565 WeakPolarHBondContact CA-OD1 3.48Å; R464-D565 PolarHBondContact N-OD1 3.09Å; I466-D565 HydrophobicContact CG1-CB 4.2Å; Q562-D565 PolarHBondContact O-N 3.12Å; L563-D565 VanDerWaalsContact C-N 3.25Å; L563-D565 PolarHBondContact O-N 3.22Å; D565-S568 WeakPolarHBondContact O-CB 3.29Å; D565-S568 PolarHBondContact O-N 3.23Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.45Å
566	W	97	Very high	90.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.7	-30.5	176.6	-58.1	137.5	0	0	0	113.3	V450 I453 H454 H457 L563 C564 V569 G570 L621 A635 I638	V450-W566 HydrophobicContact CB-CZ3 4.4Å; V450-W566 HydrophobicContact CG1-CH2 4.4Å; V450-W566 HydrophobicContact CG1-CZ3 4.36Å; V450-W566 HydrophobicContact CG2-CZ3 4.22Å; I453-W566 HydrophobicContact CB-CH2 3.83Å; I453-W566 HydrophobicContact CB-CZ3 3.76Å; I453-W566 HydrophobicContact CD1-CZ3 4.19Å; I453-W566 HydrophobicContact CG2-CE3 4.16Å; I453-W566 HydrophobicContact CG2-CH2 3.52Å; I453-W566 HydrophobicContact CG2-CZ2 4.02Å; I453-W566 HydrophobicContact CG2-CZ3 3.59Å; H454-W566 HydrophobicContact CB-CH2 4.4Å; H457-W566 AromaticContact CE1-CE2 3.89Å; H457-W566 AromaticContact CE1-CZ2 3.81Å; H457-W566 AromaticContact ND1-CZ2 3.68Å; L563-W566 PolarHBondContact O-N 3.05Å; C564-W566 VanDerWaalsContact C-N 3.32Å; C564-W566 PolarHBondContact O-N 3.12Å; W566-V569 HydrophobicContact CE3-CG2 3.94Å; W566-V569 HydrophobicContact CZ3-CG2 4.32Å; W566-V569 PolarHBondContact O-N 3.22Å; W566-G570 PolarHBondContact O-N 3.41Å; W566-L621 HydrophobicContact CB-CD2 4.14Å; W566-A635 HydrophobicContact CH2-CB 3.94Å; W566-A635 HydrophobicContact CZ2-CB 3.96Å; W566-I638 HydrophobicContact CB-CD1 4.29Å; W566-I638 HydrophobicContact CD2-CD1 3.3Å; W566-I638 HydrophobicContact CE3-CD1 3.41Å; W566-I638 VanDerWaalsContact CE3-CD1 3.41Å; W566-I638 HydrophobicContact CG-CD1 3.7Å; W566-I638 HydrophobicContact CH2-CD1 4.29Å; W566-I638 HydrophobicContact CZ2-CD1 4.19Å; W566-I638 HydrophobicContact CZ3-CD1 3.92Å
567	W	96.5	Very high	91.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-47.4	168.6	172.6	-84.3	0	0	0	110.8	I550 A551 P552 L563 C564 V569 G570 V571 F583 V595 W598 C622 C623	I550-W567 PolarHBondContact O-NE1 2.79Å; A551-W567 VanDerWaalsContact CA-CD1 3.44Å; A551-W567 HydrophobicContact CB-CB 3.79Å; A551-W567 HydrophobicContact CB-CD2 4.36Å; A551-W567 HydrophobicContact CB-CG 3.74Å; P552-W567 HydrophobicContact CG-CE3 4.4Å; P552-W567 HydrophobicContact CG-CH2 4Å; P552-W567 HydrophobicContact CG-CZ2 4.3Å; P552-W567 HydrophobicContact CG-CZ3 4.04Å; L563-W567 PolarHBondContact O-N 3.39Å; C564-W567 WeakPolarHBondContact O-CB 3.4Å; C564-W567 PolarHBondContact O-N 3.21Å; W567-V569 VanDerWaalsContact C-N 3.27Å; W567-V569 PolarHBondContact O-N 2.88Å; W567-G570 WeakPolarHBondContact O-CA 3.31Å; W567-G570 PolarHBondContact O-N 2.91Å; W567-V571 PolarHBondContact O-N 3.29Å; W567-F583 HydrophobicContact CH2-CE2 4.17Å; W567-F583 AromaticContact CH2-CZ 3.99Å; W567-F583 HydrophobicContact CH2-CZ 3.99Å; W567-F583 HydrophobicContact CZ2-CD2 4.37Å; W567-F583 AromaticContact CZ2-CE2 3.38Å; W567-F583 HydrophobicContact CZ2-CE2 3.38Å; W567-F583 AromaticContact CZ2-CZ 3.66Å; W567-F583 HydrophobicContact CZ2-CZ 3.66Å; W567-V595 HydrophobicContact CZ2-CG1 4.2Å; W567-W598 HydrophobicContact CH2-CB 3.6Å; W567-W598 AromaticContact CH2-CD1 3.84Å; W567-W598 HydrophobicContact CH2-CD2 4.09Å; W567-W598 AromaticContact CH2-CG 3.56Å; W567-W598 HydrophobicContact CH2-CG 3.56Å; W567-W598 HydrophobicContact CZ2-CB 4.32Å; W567-W598 HydrophobicContact CZ3-CD2 4.25Å; W567-W598 HydrophobicContact CZ3-CG 4.15Å; W567-C622 HydrophobicContact CE3-CB 4.49Å; W567-C622 HydrophobicContact CZ3-CB 4.33Å; W567-C622 WeakPolarHBondContact CZ3-O 3.33Å; W567-C623 WeakPolarHBondContact CZ3-O 3.29Å
568	S	95.9	Very high	92.2	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-36.6	177.9	-50.6	0	0	0	0	112.3	I466 Y549 C564 D565 V571 I572	I466-S568 WeakPolarHBondContact O-CB 3.47Å; Y549-S568 WeakPolarHBondContact O-CB 3.32Å; Y549-S568 PolarHBondContact O-OG 2.93Å; C564-S568 PolarHBondContact O-N 3.27Å; C564-S568 PolarHBondContact O-OG 2.87Å; D565-S568 WeakPolarHBondContact O-CB 3.29Å; D565-S568 PolarHBondContact O-N 3.23Å; S568-V571 PolarHBondContact O-N 3.34Å; S568-I572 WeakPolarHBondContact O-CB 3.31Å; S568-I572 VanDerWaalsContact O-CG1 3.28Å; S568-I572 WeakPolarHBondContact O-CG1 3.4Å; S568-I572 PolarHBondContact O-N 3.02Å
569	V	97.9	Very high	92.8	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.3	-45	170.9	177.5	0	0	0	0	111.6	V446 L449 V450 I453 D565 W566 W567 V571 I572 F573 L621	V446-V569 HydrophobicContact CG1-CG1 3.85Å; L449-V569 HydrophobicContact CD2-CG1 4.37Å; L449-V569 HydrophobicContact CD2-CG2 3.94Å; L449-V569 HydrophobicContact CG-CG2 4.05Å; V450-V569 HydrophobicContact CG2-CG1 4.42Å; I453-V569 HydrophobicContact CD1-CG2 3.3Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.45Å; W566-V569 HydrophobicContact CE3-CG2 3.94Å; W566-V569 HydrophobicContact CZ3-CG2 4.32Å; W566-V569 PolarHBondContact O-N 3.22Å; W567-V569 VanDerWaalsContact C-N 3.27Å; W567-V569 PolarHBondContact O-N 2.88Å; V569-V571 PolarHBondContact O-N 3.25Å; V569-I572 PolarHBondContact O-N 3.06Å; V569-F573 WeakPolarHBondContact O-CB 3.4Å; V569-F573 PolarHBondContact O-N 3.21Å; V569-L621 HydrophobicContact CG1-CD1 4.12Å
570	G	97.8	Very high	93.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-41.3	176.6	0	0	0	0	0	113	W566 W567 F573 Y574	W566-G570 PolarHBondContact O-N 3.41Å; W567-G570 WeakPolarHBondContact O-CA 3.31Å; W567-G570 PolarHBondContact O-N 2.91Å; G570-F573 PolarHBondContact O-N 2.95Å; G570-Y574 WeakPolarHBondContact O-CB 3.39Å; G570-Y574 PolarHBondContact O-N 3.16Å
571	V	97.1	Very high	94.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-45.2	175.5	176.1	0	0	0	0	111.6	N548 Y549 W567 S568 V569 Y574 E575 P581 F583	N548-V571 WeakPolarHBondContact O-CG1 3.4Å; Y549-V571 HydrophobicContact CD1-CB 4.06Å; Y549-V571 HydrophobicContact CD1-CG1 3.37Å; Y549-V571 HydrophobicContact CE1-CG1 3.86Å; Y549-V571 HydrophobicContact CG-CG1 4.26Å; W567-V571 PolarHBondContact O-N 3.29Å; S568-V571 PolarHBondContact O-N 3.34Å; V569-V571 PolarHBondContact O-N 3.25Å; V571-Y574 PolarHBondContact O-N 2.94Å; V571-E575 WeakPolarHBondContact O-CB 3.43Å; V571-E575 PolarHBondContact O-N 3.34Å; V571-P581 HydrophobicContact CG1-CB 4.35Å; V571-F583 HydrophobicContact CG2-CE2 4.14Å
572	I	96.8	Very high	94.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.4	-41.4	177.6	-70.5	172.4	0	0	0	110.7	L449 I466 P468 I471 Y549 S568 V569 E575 M576	L449-I572 HydrophobicContact CD2-CD1 4.19Å; L449-I572 HydrophobicContact CD2-CG2 4.39Å; I466-I572 HydrophobicContact CG2-CD1 3.63Å; P468-I572 HydrophobicContact CG-CG1 4.19Å; I471-I572 HydrophobicContact CD1-CD1 3.94Å; Y549-I572 HydrophobicContact CD1-CG1 3.78Å; Y549-I572 HydrophobicContact CE1-CG1 3.83Å; S568-I572 WeakPolarHBondContact O-CB 3.31Å; S568-I572 VanDerWaalsContact O-CG1 3.28Å; S568-I572 WeakPolarHBondContact O-CG1 3.4Å; S568-I572 PolarHBondContact O-N 3.02Å; V569-I572 PolarHBondContact O-N 3.06Å; I572-E575 WeakPolarHBondContact O-CB 3.47Å; I572-E575 PolarHBondContact O-N 3.45Å; I572-M576 HydrophobicContact CG2-CE 3.69Å; I572-M576 HydrophobicContact CG2-SD 4.34Å; I572-M576 WeakPolarHBondContact O-CG 3.47Å; I572-M576 PolarHBondContact O-N 3.22Å
573	F	98.1	Very high	94.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.1	-45.1	178	178.7	-139.5	0	0	0	111.8	A442 V446 V569 G570 E575 M576 V577 A614 L617 I618 F643	A442-F573 HydrophobicContact CB-CD2 4.12Å; A442-F573 HydrophobicContact CB-CE2 3.88Å; V446-F573 HydrophobicContact CG2-CB 3.81Å; V446-F573 HydrophobicContact CG2-CD2 3.71Å; V446-F573 HydrophobicContact CG2-CG 3.92Å; V569-F573 WeakPolarHBondContact O-CB 3.4Å; V569-F573 PolarHBondContact O-N 3.21Å; G570-F573 PolarHBondContact O-N 2.95Å; F573-E575 VanDerWaalsContact C-N 3.27Å; F573-E575 PolarHBondContact O-N 3.27Å; F573-M576 WeakPolarHBondContact O-CB 3.28Å; F573-M576 PolarHBondContact O-N 3.26Å; F573-V577 HydrophobicContact CD2-CG1 4.07Å; F573-V577 HydrophobicContact CE2-CG1 3.59Å; F573-V577 HydrophobicContact CE2-CG2 4.47Å; F573-V577 HydrophobicContact CZ-CG1 4.39Å; F573-V577 WeakPolarHBondContact O-CG2 3.43Å; F573-V577 PolarHBondContact O-N 3.5Å; F573-A614 HydrophobicContact CE1-CB 4.24Å; F573-A614 WeakPolarHBondContact CE1-O 3.39Å; F573-A614 HydrophobicContact CZ-CB 3.8Å; F573-L617 HydrophobicContact CD1-CD2 3.96Å; F573-L617 HydrophobicContact CD1-CG 4.21Å; F573-L617 HydrophobicContact CE1-CB 4.13Å; F573-L617 HydrophobicContact CE1-CD2 3.77Å; F573-L617 HydrophobicContact CE1-CG 4.15Å; F573-I618 HydrophobicContact CD1-CD1 4.15Å; F573-I618 HydrophobicContact CD1-CG1 3.47Å; F573-I618 VanDerWaalsContact CD1-CG1 3.47Å; F573-I618 HydrophobicContact CE1-CD1 4.15Å; F573-I618 HydrophobicContact CE1-CG1 3.73Å; F573-I618 HydrophobicContact CG-CG1 4.34Å; F573-F643 HydrophobicContact CE1-CE1 4.21Å; F573-F643 HydrophobicContact CE1-CZ 4.26Å; F573-F643 AromaticContact CE2-CE1 3.92Å; F573-F643 HydrophobicContact CE2-CE1 3.92Å; F573-F643 HydrophobicContact CE2-CE2 4.39Å; F573-F643 AromaticContact CE2-CZ 3.6Å; F573-F643 HydrophobicContact CE2-CZ 3.6Å; F573-F643 HydrophobicContact CZ-CD1 4.3Å; F573-F643 HydrophobicContact CZ-CD2 4.37Å; F573-F643 AromaticContact CZ-CE1 3.6Å; F573-F643 HydrophobicContact CZ-CE1 3.6Å; F573-F643 AromaticContact CZ-CE2 3.72Å; F573-F643 HydrophobicContact CZ-CE2 3.72Å; F573-F643 AromaticContact CZ-CZ 3.29Å; F573-F643 HydrophobicContact CZ-CZ 3.29Å
574	Y	97.2	Very high	94.5	Very high	5 Å²	5	8.2 Å²	8.2	2%	0.02	5%	0.046	C	C	.	.	H	α-helix	trans	-54.2	-46.4	170.7	179.7	-71.4	0	0	0	110.6	G570 V571 M576 V577 V578 H580 P582 L602 H603 I604 I618	G570-Y574 WeakPolarHBondContact O-CB 3.39Å; G570-Y574 PolarHBondContact O-N 3.16Å; V571-Y574 PolarHBondContact O-N 2.94Å; Y574-M576 PolarHBondContact O-N 2.78Å; Y574-V577 PolarHBondContact O-N 2.69Å; Y574-V578 HydrophobicContact CD1-CB 3.92Å; Y574-V578 HydrophobicContact CD1-CG1 4.5Å; Y574-V578 HydrophobicContact CD1-CG2 3.98Å; Y574-V578 HydrophobicContact CD2-CG2 4.17Å; Y574-V578 HydrophobicContact CE1-CB 3.61Å; Y574-V578 HydrophobicContact CE1-CG1 3.69Å; Y574-V578 HydrophobicContact CE1-CG2 3.82Å; Y574-V578 HydrophobicContact CE2-CG2 4.05Å; Y574-V578 HydrophobicContact CG-CG2 4.14Å; Y574-V578 VanDerWaalsContact O-CB 3.28Å; Y574-V578 WeakPolarHBondContact O-CB 3.48Å; Y574-V578 WeakPolarHBondContact O-CG2 3.45Å; Y574-V578 PolarHBondContact O-N 3.28Å; Y574-H580 WeakPolarHBondContact CD1-O 3.49Å; Y574-H580 WeakPolarHBondContact CE1-O 3.41Å; Y574-P582 HydrophobicContact CD1-CB 3.97Å; Y574-P582 VanDerWaalsContact CD1-CD 3.42Å; Y574-P582 HydrophobicContact CD1-CG 4.06Å; Y574-P582 HydrophobicContact CD2-CB 3.98Å; Y574-P582 HydrophobicContact CD2-CG 4.33Å; Y574-P582 HydrophobicContact CE1-CB 3.85Å; Y574-P582 HydrophobicContact CE1-CG 4.42Å; Y574-P582 HydrophobicContact CE2-CB 3.82Å; Y574-P582 HydrophobicContact CG-CB 4.06Å; Y574-P582 HydrophobicContact CG-CG 4.04Å; Y574-L602 HydrophobicContact CD2-CD1 4.32Å; Y574-L602 HydrophobicContact CE2-CD1 4.3Å; Y574-H603 PolarHBondContact OH-O 3.14Å; Y574-I604 HydrophobicContact CD2-CG1 4.13Å; Y574-I604 HydrophobicContact CE2-CG1 3.83Å; Y574-I618 HydrophobicContact CD2-CD1 4.37Å; Y574-I618 HydrophobicContact CD2-CG2 4.05Å
575	E	94.8	Very high	94.3	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-40.8	179.4	-178.5	176.3	161.3	0	0	112.9	L431 R532 Y549 V571 I572 F573 V577 G579 H580 P581	L431-E575 HydrophobicContact CD1-CG 4.38Å; R532-E575 IonicContact CZ-OE1 3.65Å; R532-E575 IonicContact CZ-OE2 3.66Å; R532-E575 IonicContact NH1-OE1 3.16Å; R532-E575 PolarHBondContact NH1-OE1 2.82Å; R532-E575 IonicContact NH1-OE2 3.95Å; R532-E575 PolarHBondContact NH1-OE2 3.32Å; R532-E575 IonicContact NH2-OE1 3.26Å; R532-E575 IonicContact NH2-OE2 2.78Å; R532-E575 PolarHBondContact NH2-OE2 3.12Å; R532-E575 VanDerWaalsContact NH2-OE2 3.13Å; Y549-E575 VanDerWaalsContact CE1-OE2 3.31Å; Y549-E575 WeakPolarHBondContact CE1-OE2 3.31Å; Y549-E575 VanDerWaalsContact CZ-OE2 3.32Å; Y549-E575 PolarHBondContact OH-OE2 2.61Å; V571-E575 WeakPolarHBondContact O-CB 3.43Å; V571-E575 PolarHBondContact O-N 3.34Å; I572-E575 WeakPolarHBondContact O-CB 3.47Å; I572-E575 PolarHBondContact O-N 3.45Å; F573-E575 VanDerWaalsContact C-N 3.27Å; F573-E575 PolarHBondContact O-N 3.27Å; E575-V577 VanDerWaalsContact C-N 3.32Å; E575-V577 PolarHBondContact O-N 3.33Å; E575-G579 VanDerWaalsContact O-CA 3.26Å; E575-G579 WeakPolarHBondContact O-CA 3.4Å; E575-G579 PolarHBondContact O-N 3.31Å; E575-H580 WeakPolarHBondContact CA-O 3.26Å; E575-P581 WeakPolarHBondContact OE2-CG 3.49Å
576	M	95.9	Very high	93.6	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-57.9	-42	176	-74	172.2	175.9	0	0	112.5	M427 L431 F437 A442 V446 I572 F573 Y574	M427-M576 HydrophobicContact CE-CE 4.46Å; M427-M576 HydrophobicContact CG-CE 4.12Å; M427-M576 HydrophobicContact SD-CE 4.03Å; L431-M576 HydrophobicContact CD2-CB 4.37Å; L431-M576 HydrophobicContact CD2-CG 3.87Å; F437-M576 HydrophobicContact CB-CB 4.22Å; F437-M576 HydrophobicContact CD2-CB 3.91Å; F437-M576 HydrophobicContact CD2-CE 4.46Å; F437-M576 HydrophobicContact CD2-CG 3.64Å; F437-M576 HydrophobicContact CD2-SD 4Å; F437-M576 HydrophobicContact CE2-CE 4.04Å; F437-M576 HydrophobicContact CE2-CG 3.9Å; F437-M576 HydrophobicContact CE2-SD 4.18Å; F437-M576 HydrophobicContact CG-CB 4.27Å; F437-M576 HydrophobicContact CG-CG 4.4Å; F437-M576 PolarHBondContact N-O 3.41Å; A442-M576 HydrophobicContact CB-CB 4.04Å; A442-M576 HydrophobicContact CB-SD 4.17Å; V446-M576 HydrophobicContact CG2-SD 3.89Å; I572-M576 HydrophobicContact CG2-CE 3.69Å; I572-M576 HydrophobicContact CG2-SD 4.34Å; I572-M576 WeakPolarHBondContact O-CG 3.47Å; I572-M576 PolarHBondContact O-N 3.22Å; F573-M576 WeakPolarHBondContact O-CB 3.28Å; F573-M576 PolarHBondContact O-N 3.26Å; Y574-M576 PolarHBondContact O-N 2.78Å
577	V	95.6	Very high	92.9	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-103.3	-7.3	-170.8	-53.1	0	0	0	0	114.9	L436 A442 F573 Y574 E575 L610 I618	L436-V577 WeakPolarHBondContact CD1-O 3.4Å; A442-V577 HydrophobicContact CB-CG1 3.7Å; F573-V577 HydrophobicContact CD2-CG1 4.07Å; F573-V577 HydrophobicContact CE2-CG1 3.59Å; F573-V577 HydrophobicContact CE2-CG2 4.47Å; F573-V577 HydrophobicContact CZ-CG1 4.39Å; F573-V577 WeakPolarHBondContact O-CG2 3.43Å; F573-V577 PolarHBondContact O-N 3.5Å; Y574-V577 PolarHBondContact O-N 2.69Å; E575-V577 VanDerWaalsContact C-N 3.32Å; E575-V577 PolarHBondContact O-N 3.33Å; V577-L610 HydrophobicContact CB-CD2 3.66Å; V577-L610 HydrophobicContact CG2-CD1 3.66Å; V577-L610 HydrophobicContact CG2-CD2 3.62Å; V577-L610 HydrophobicContact CG2-CG 4.31Å; V577-I618 HydrophobicContact CG2-CD1 4.13Å
578	V	93.2	Very high	92.2	Very high	23 Å²	23	16.9 Å²	16.9	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-115.5	-18.8	174.3	-174.2	0	0	0	0	112.3	Y574 P605 A608 L610	Y574-V578 HydrophobicContact CD1-CB 3.92Å; Y574-V578 HydrophobicContact CD1-CG1 4.5Å; Y574-V578 HydrophobicContact CD1-CG2 3.98Å; Y574-V578 HydrophobicContact CD2-CG2 4.17Å; Y574-V578 HydrophobicContact CE1-CB 3.61Å; Y574-V578 HydrophobicContact CE1-CG1 3.69Å; Y574-V578 HydrophobicContact CE1-CG2 3.82Å; Y574-V578 HydrophobicContact CE2-CG2 4.05Å; Y574-V578 HydrophobicContact CG-CG2 4.14Å; Y574-V578 VanDerWaalsContact O-CB 3.28Å; Y574-V578 WeakPolarHBondContact O-CB 3.48Å; Y574-V578 WeakPolarHBondContact O-CG2 3.45Å; Y574-V578 PolarHBondContact O-N 3.28Å; V578-P605 HydrophobicContact CG1-CG 3.94Å; V578-A608 HydrophobicContact CG2-CB 4.47Å; V578-L610 HydrophobicContact CG2-CD1 4.44Å
579	G	88.9	Confident	91.6	Very high	12 Å²	12	20 Å²	20	12%	0.124	11%	0.112	C	C	.	.	S	Bend	trans	86.4	1.7	177.3	0	0	0	0	0	115	L529 E575	L529-G579 WeakPolarHBondContact CD2-O 3.41Å; E575-G579 VanDerWaalsContact O-CA 3.26Å; E575-G579 WeakPolarHBondContact O-CA 3.4Å; E575-G579 PolarHBondContact O-N 3.31Å
580	H	89.3	Confident	91.2	Very high	60 Å²	60	24 Å²	24	28%	0.278	13%	0.132	S	C	.	.	S	Bend	trans	-155.3	161.9	171.3	65.4	81.1	0	0	0	110.7	V528 Y574 E575 L584	V528-H580 HydrophobicContact CG1-CB 4.15Å; Y574-H580 WeakPolarHBondContact CD1-O 3.49Å; Y574-H580 WeakPolarHBondContact CE1-O 3.41Å; E575-H580 WeakPolarHBondContact CA-O 3.26Å; H580-L584 HydrophobicContact CB-CD2 4.21Å
581	P	92	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.			trans	-67.3	152	174.2	-14.1	27.7	0	0	0	111.6	N548 V571 E575 F583 L584	N548-P581 HydrophobicContact CB-CB 3.96Å; N548-P581 HydrophobicContact CB-CG 4.06Å; V571-P581 HydrophobicContact CG1-CB 4.35Å; E575-P581 WeakPolarHBondContact OE2-CG 3.49Å; P581-F583 VanDerWaalsContact C-N 3.3Å; P581-F583 PolarHBondContact O-N 3.44Å; P581-L584 PolarHBondContact O-N 3.34Å
582	P	93.4	Very high	90.2	Very high	14 Å²	14	27 Å²	27	9%	0.091	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.1	179.7	24	-29	0	0	0	113.1	Y574 L602	Y574-P582 HydrophobicContact CD1-CB 3.97Å; Y574-P582 VanDerWaalsContact CD1-CD 3.42Å; Y574-P582 HydrophobicContact CD1-CG 4.06Å; Y574-P582 HydrophobicContact CD2-CB 3.98Å; Y574-P582 HydrophobicContact CD2-CG 4.33Å; Y574-P582 HydrophobicContact CE1-CB 3.85Å; Y574-P582 HydrophobicContact CE1-CG 4.42Å; Y574-P582 HydrophobicContact CE2-CB 3.82Å; Y574-P582 HydrophobicContact CG-CB 4.06Å; Y574-P582 HydrophobicContact CG-CG 4.04Å; P582-L602 HydrophobicContact CB-CD1 3.49Å; P582-L602 VanDerWaalsContact CB-CD1 3.49Å; P582-L602 HydrophobicContact CG-CD1 4.07Å
583	F	92.8	Very high	89.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.1	-174.2	-47	-59.9	0	0	0	114	W567 V571 P581 A585 T591 K594 V595 W598 S601 L602	W567-F583 HydrophobicContact CH2-CE2 4.17Å; W567-F583 AromaticContact CH2-CZ 3.99Å; W567-F583 HydrophobicContact CH2-CZ 3.99Å; W567-F583 HydrophobicContact CZ2-CD2 4.37Å; W567-F583 AromaticContact CZ2-CE2 3.38Å; W567-F583 HydrophobicContact CZ2-CE2 3.38Å; W567-F583 AromaticContact CZ2-CZ 3.66Å; W567-F583 HydrophobicContact CZ2-CZ 3.66Å; V571-F583 HydrophobicContact CG2-CE2 4.14Å; P581-F583 VanDerWaalsContact C-N 3.3Å; P581-F583 PolarHBondContact O-N 3.44Å; F583-A585 PolarHBondContact O-N 2.77Å; F583-T591 HydrophobicContact CB-CG2 4.39Å; F583-T591 WeakPolarHBondContact O-CB 3.19Å; F583-T591 WeakPolarHBondContact O-CG2 3.32Å; F583-T591 PolarHBondContact O-OG1 3.25Å; F583-K594 HydrophobicContact CB-CB 4.01Å; F583-K594 HydrophobicContact CD1-CB 4.23Å; F583-V595 HydrophobicContact CB-CG2 3.68Å; F583-V595 HydrophobicContact CD2-CG2 3.64Å; F583-V595 HydrophobicContact CE2-CG2 4.48Å; F583-V595 HydrophobicContact CG-CG2 3.72Å; F583-W598 HydrophobicContact CE1-CB 3.87Å; F583-W598 HydrophobicContact CZ-CB 3.9Å; F583-S601 WeakPolarHBondContact CD1-OG 3.44Å; F583-S601 WeakPolarHBondContact CE1-OG 3.47Å; F583-L602 HydrophobicContact CE1-CB 4.01Å; F583-L602 HydrophobicContact CE1-CD1 4.43Å; F583-L602 HydrophobicContact CZ-CB 4.33Å; F583-L602 HydrophobicContact CZ-CD1 4.24Å
584	L	88	Confident	89.6	Confident	46 Å²	46	33 Å²	33	24%	0.241	18%	0.18	C	C	.	.			trans	-59.4	134.4	-178.8	-174.3	64.2	0	0	0	111.3	V528 H580 P581 K594	V528-L584 HydrophobicContact CG1-CD2 3.65Å; H580-L584 HydrophobicContact CB-CD2 4.21Å; P581-L584 PolarHBondContact O-N 3.34Å; L584-K594 PolarHBondContact O-NZ 3.45Å
585	A	86.6	Confident	89.3	Confident	17 Å²	17	32.8 Å²	32.8	14%	0.14	18%	0.179	C	C	.	.			trans	-145.6	178.2	178.4	0	0	0	0	0	111.1	F583 E590 T591 K594	F583-A585 PolarHBondContact O-N 2.77Å; A585-E590 HydrophobicContact CB-CB 3.39Å; A585-E590 HydrophobicContact CB-CG 4.5Å; A585-E590 WeakPolarHBondContact CB-OE2 3.42Å; A585-T591 WeakPolarHBondContact CB-OG1 3.46Å; A585-T591 PolarHBondContact N-OG1 3.09Å; A585-K594 HydrophobicContact CB-CD 4.29Å
586	N	80.4	Confident	89.1	Confident	82 Å²	82	35.5 Å²	35.5	44%	0.439	19%	0.193	S	C	.	.	S	Bend	trans	-76.6	-41	-176.1	-74	-27.4	0	0	0	111.1	Y524 K535 E590	Y524-N586 PolarHBondContact OH-ND2 3.45Å; K535-N586 PolarHBondContact NZ-O 3.42Å; N586-E590 WeakPolarHBondContact CB-OE2 3.4Å; N586-E590 PolarHBondContact N-OE2 2.93Å
587	T	83.2	Confident	89	Confident	48 Å²	48	40.9 Å²	40.9	29%	0.294	22%	0.218	S	C	.	.	S	Bend	trans	-109.6	156.9	176.8	88.7	0	0	0	0	112.3	E589 E590 T591	T587-E589 VanDerWaalsContact C-N 3.26Å; T587-E589 WeakPolarHBondContact CB-OE2 3.31Å; T587-E589 PolarHBondContact O-N 3.36Å; T587-E589 PolarHBondContact OG1-N 2.93Å; T587-E589 PolarHBondContact OG1-OE2 2.91Å; T587-E590 PolarHBondContact N-OE2 3Å; T587-E590 PolarHBondContact OG1-N 3.33Å; T587-T591 PolarHBondContact O-N 3.25Å
588	P	80.7	Confident	89	Confident	37 Å²	37	42.4 Å²	42.4	24%	0.24	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-35.7	174.4	-19.1	30.7	0	0	0	113	L517 T591 Q592	L517-P588 HydrophobicContact CD2-CG 4.11Å; P588-T591 CarbonylContact O-C 3.55Å; P588-T591 WeakPolarHBondContact O-CB 3.41Å; P588-T591 PolarHBondContact O-N 2.67Å; P588-Q592 WeakPolarHBondContact O-CG 3.43Å; P588-Q592 PolarHBondContact O-N 3.01Å
589	E	84.5	Confident	89.1	Confident	68 Å²	68	49.6 Å²	49.6	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-42.7	-178.1	-52.4	67.1	-107.9	0	0	110.9	L517 T587 T591 Q592 A593	L517-E589 HydrophobicContact CD1-CG 3.92Å; L517-E589 WeakPolarHBondContact CD1-OE1 3.46Å; L517-E589 WeakPolarHBondContact CD2-OE1 3.36Å; T587-E589 VanDerWaalsContact C-N 3.26Å; T587-E589 WeakPolarHBondContact CB-OE2 3.31Å; T587-E589 PolarHBondContact O-N 3.36Å; T587-E589 PolarHBondContact OG1-N 2.93Å; T587-E589 PolarHBondContact OG1-OE2 2.91Å; E589-T591 VanDerWaalsContact C-N 3.31Å; E589-T591 PolarHBondContact O-N 2.91Å; E589-Q592 PolarHBondContact O-N 3.2Å; E589-A593 WeakPolarHBondContact O-CB 3.32Å; E589-A593 PolarHBondContact O-N 3.06Å
590	E	88.5	Confident	89.4	Confident	86 Å²	86	53 Å²	53	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-40.5	171.5	-70	175.7	165	0	0	111.4	A585 N586 T587 A593 K594	A585-E590 HydrophobicContact CB-CB 3.39Å; A585-E590 HydrophobicContact CB-CG 4.5Å; A585-E590 WeakPolarHBondContact CB-OE2 3.42Å; N586-E590 WeakPolarHBondContact CB-OE2 3.4Å; N586-E590 PolarHBondContact N-OE2 2.93Å; T587-E590 PolarHBondContact N-OE2 3Å; T587-E590 PolarHBondContact OG1-N 3.33Å; E590-A593 PolarHBondContact O-N 2.85Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 3.41Å
591	T	86.5	Confident	89.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-43.9	174.4	-75	0	0	0	0	111.2	T546 P547 F583 A585 T587 P588 E589 A593 K594 V595	T546-T591 HydrophobicContact CG2-CG2 3.9Å; P547-T591 HydrophobicContact CG-CG2 4.17Å; F583-T591 HydrophobicContact CB-CG2 4.39Å; F583-T591 WeakPolarHBondContact O-CB 3.19Å; F583-T591 WeakPolarHBondContact O-CG2 3.32Å; F583-T591 PolarHBondContact O-OG1 3.25Å; A585-T591 WeakPolarHBondContact CB-OG1 3.46Å; A585-T591 PolarHBondContact N-OG1 3.09Å; T587-T591 PolarHBondContact O-N 3.25Å; P588-T591 CarbonylContact O-C 3.55Å; P588-T591 WeakPolarHBondContact O-CB 3.41Å; P588-T591 PolarHBondContact O-N 2.67Å; E589-T591 VanDerWaalsContact C-N 3.31Å; E589-T591 PolarHBondContact O-N 2.91Å; T591-A593 VanDerWaalsContact C-N 3.34Å; T591-A593 PolarHBondContact O-N 2.95Å; T591-K594 PolarHBondContact O-N 3.35Å; T591-V595 HydrophobicContact CG2-CG2 4.24Å; T591-V595 VanDerWaalsContact O-CG2 3.31Å; T591-V595 WeakPolarHBondContact O-CG2 3.37Å; T591-V595 PolarHBondContact O-N 2.95Å
592	Q	87.7	Confident	89.8	Confident	61 Å²	61	52.4 Å²	52.4	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-46.3	174.6	-71.1	174.4	-11.2	0	0	111.2	P547 L555 P588 E589 K594 V595 I596	P547-Q592 HydrophobicContact CB-CG 4.45Å; P547-Q592 HydrophobicContact CG-CG 3.49Å; P547-Q592 VanDerWaalsContact CG-CG 3.49Å; L555-Q592 HydrophobicContact CD1-CB 4.34Å; L555-Q592 HydrophobicContact CD1-CG 4.23Å; L555-Q592 HydrophobicContact CD2-CG 4.34Å; P588-Q592 WeakPolarHBondContact O-CG 3.43Å; P588-Q592 PolarHBondContact O-N 3.01Å; E589-Q592 PolarHBondContact O-N 3.2Å; Q592-K594 VanDerWaalsContact C-N 3.33Å; Q592-K594 PolarHBondContact O-N 3.08Å; Q592-V595 PolarHBondContact O-N 3.45Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 VanDerWaalsContact O-CG1 3.31Å; Q592-I596 WeakPolarHBondContact O-CG1 3.38Å; Q592-I596 PolarHBondContact O-N 3.27Å
593	A	90.1	Very high	89.7	Confident	46 Å²	46	58 Å²	58	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-41.8	177	0	0	0	0	0	111.8	E589 E590 T591 H597	E589-A593 WeakPolarHBondContact O-CB 3.32Å; E589-A593 PolarHBondContact O-N 3.06Å; E590-A593 PolarHBondContact O-N 2.85Å; T591-A593 VanDerWaalsContact C-N 3.34Å; T591-A593 PolarHBondContact O-N 2.95Å; A593-H597 WeakPolarHBondContact O-CB 3.35Å; A593-H597 PolarHBondContact O-N 2.74Å; A593-H597 PolarHBondContact O-ND1 3.46Å
594	K	92.8	Very high	89.8	Confident	81 Å²	81	60 Å²	60	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-44.2	173.7	-73.9	-179.3	-173.5	-173.5	0	112.7	F583 L584 A585 E590 T591 Q592 H597 W598 S601	F583-K594 HydrophobicContact CB-CB 4.01Å; F583-K594 HydrophobicContact CD1-CB 4.23Å; L584-K594 PolarHBondContact O-NZ 3.45Å; A585-K594 HydrophobicContact CB-CD 4.29Å; E590-K594 WeakPolarHBondContact O-CG 3.4Å; E590-K594 PolarHBondContact O-N 3.41Å; T591-K594 PolarHBondContact O-N 3.35Å; Q592-K594 VanDerWaalsContact C-N 3.33Å; Q592-K594 PolarHBondContact O-N 3.08Å; K594-H597 CarbonylContact O-C 3.22Å; K594-H597 VanDerWaalsContact O-C 3.22Å; K594-H597 PolarHBondContact O-N 2.82Å; K594-W598 WeakPolarHBondContact O-CA 3.35Å; K594-W598 PolarHBondContact O-N 3.36Å; K594-W598 VanDerWaalsContact O-N 3.08Å; K594-S601 PolarHBondContact O-OG 2.98Å
595	V	91.1	Very high	89.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-44.5	178.3	172.4	0	0	0	0	111	I550 P552 L555 W567 F583 T591 Q592 H597 W598	I550-V595 WeakPolarHBondContact O-CG1 3.37Å; P552-V595 HydrophobicContact CB-CG1 4.24Å; L555-V595 HydrophobicContact CD1-CB 3.83Å; L555-V595 HydrophobicContact CD1-CG1 3.57Å; W567-V595 HydrophobicContact CZ2-CG1 4.2Å; F583-V595 HydrophobicContact CB-CG2 3.68Å; F583-V595 HydrophobicContact CD2-CG2 3.64Å; F583-V595 HydrophobicContact CE2-CG2 4.48Å; F583-V595 HydrophobicContact CG-CG2 3.72Å; T591-V595 HydrophobicContact CG2-CG2 4.24Å; T591-V595 VanDerWaalsContact O-CG2 3.31Å; T591-V595 WeakPolarHBondContact O-CG2 3.37Å; T591-V595 PolarHBondContact O-N 2.95Å; Q592-V595 PolarHBondContact O-N 3.45Å; V595-H597 VanDerWaalsContact C-N 3.34Å; V595-H597 PolarHBondContact O-N 2.67Å; V595-W598 WeakPolarHBondContact O-CB 3.43Å; V595-W598 PolarHBondContact O-N 3.18Å
596	I	90.8	Very high	89.9	Confident	60 Å²	60	69.4 Å²	69.4	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-44.1	176.7	-68.9	166.1	0	0	0	110.4	L555 L556 Q592 W598	L555-I596 HydrophobicContact CD1-CG1 4.49Å; L556-I596 HydrophobicContact CD2-CD1 4.24Å; L556-I596 HydrophobicContact CD2-CG1 4.23Å; L556-I596 HydrophobicContact CD2-CG2 4.21Å; L556-I596 HydrophobicContact CG-CG1 4.43Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 VanDerWaalsContact O-CG1 3.31Å; Q592-I596 WeakPolarHBondContact O-CG1 3.38Å; Q592-I596 PolarHBondContact O-N 3.27Å; I596-W598 VanDerWaalsContact C-N 3.3Å; I596-W598 PolarHBondContact O-N 2.89Å
597	H	93.6	Very high	90.2	Very high	115 Å²	115	68.7 Å²	68.7	53%	0.532	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	36	178.7	-56.8	91.3	0	0	0	112.9	A593 K594 V595 R599 S600 S601	A593-H597 WeakPolarHBondContact O-CB 3.35Å; A593-H597 PolarHBondContact O-N 2.74Å; A593-H597 PolarHBondContact O-ND1 3.46Å; K594-H597 CarbonylContact O-C 3.22Å; K594-H597 VanDerWaalsContact O-C 3.22Å; K594-H597 PolarHBondContact O-N 2.82Å; V595-H597 VanDerWaalsContact C-N 3.34Å; V595-H597 PolarHBondContact O-N 2.67Å; H597-R599 PolarHBondContact O-N 3.39Å; H597-R599 VanDerWaalsContact O-N 3.1Å; H597-S600 PolarHBondContact O-N 3.03Å; H597-S600 PolarHBondContact O-OG 3.29Å; H597-S601 PolarHBondContact O-N 3Å; H597-S601 PolarHBondContact O-OG 2.94Å
598	W	95.1	Very high	90.3	Very high	35 Å²	35	67.9 Å²	67.9	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-52.5	-36.7	-174.3	63.9	-92.8	0	0	0	114.1	W567 F583 K594 V595 I596 S600 S601 L602 C622 C623	W567-W598 HydrophobicContact CH2-CB 3.6Å; W567-W598 AromaticContact CH2-CD1 3.84Å; W567-W598 HydrophobicContact CH2-CD2 4.09Å; W567-W598 AromaticContact CH2-CG 3.56Å; W567-W598 HydrophobicContact CH2-CG 3.56Å; W567-W598 HydrophobicContact CZ2-CB 4.32Å; W567-W598 HydrophobicContact CZ3-CD2 4.25Å; W567-W598 HydrophobicContact CZ3-CG 4.15Å; F583-W598 HydrophobicContact CE1-CB 3.87Å; F583-W598 HydrophobicContact CZ-CB 3.9Å; K594-W598 WeakPolarHBondContact O-CA 3.35Å; K594-W598 PolarHBondContact O-N 3.36Å; K594-W598 VanDerWaalsContact O-N 3.08Å; V595-W598 WeakPolarHBondContact O-CB 3.43Å; V595-W598 PolarHBondContact O-N 3.18Å; I596-W598 VanDerWaalsContact C-N 3.3Å; I596-W598 PolarHBondContact O-N 2.89Å; W598-S600 PolarHBondContact O-N 3.49Å; W598-S600 VanDerWaalsContact O-N 3.09Å; W598-S601 WeakPolarHBondContact CA-OG 3.49Å; W598-S601 PolarHBondContact O-N 2.96Å; W598-S601 VanDerWaalsContact O-N 3.09Å; W598-L602 VanDerWaalsContact O-CB 3.27Å; W598-L602 WeakPolarHBondContact O-CB 3.39Å; W598-L602 PolarHBondContact O-N 3.37Å; W598-C622 VanDerWaalsContact CE3-O 3.27Å; W598-C622 WeakPolarHBondContact CZ3-O 3.4Å; W598-C623 VanDerWaalsContact CH2-CA 3.46Å; W598-C623 HydrophobicContact CH2-CB 3.7Å; W598-C623 HydrophobicContact CZ2-CB 4.36Å; W598-C623 HydrophobicContact CZ3-CB 4Å
599	R	95.1	Very high	90.7	Very high	173 Å²	173	73 Å²	73	65%	0.653	38%	0.383	S	S	*	.	H	α-helix	trans	-55.7	-27.9	178.5	-68.5	-175.2	176.8	92.1	-1.2	113.3	H597 E626	H597-R599 PolarHBondContact O-N 3.39Å; H597-R599 VanDerWaalsContact O-N 3.1Å; R599-E626 IonicContact NH2-OE1 2.64Å; R599-E626 PolarHBondContact NH2-OE1 3.26Å
600	S	94.8	Very high	91.1	Very high	85 Å²	85	71.3 Å²	71.3	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-111.4	-3.5	179.4	53.5	0	0	0	0	114	H597 W598 H603	H597-S600 PolarHBondContact O-N 3.03Å; H597-S600 PolarHBondContact O-OG 3.29Å; W598-S600 PolarHBondContact O-N 3.49Å; W598-S600 VanDerWaalsContact O-N 3.09Å; S600-H603 PolarHBondContact O-CE1 3.01Å
601	S	93.7	Very high	91.5	Very high	23 Å²	23	69.2 Å²	69.2	16%	0.161	37%	0.371	C	S	.	.	H	α-helix	trans	-115.3	-27	-176.1	74	0	0	0	0	113.4	F583 K594 H597 W598 H603	F583-S601 WeakPolarHBondContact CD1-OG 3.44Å; F583-S601 WeakPolarHBondContact CE1-OG 3.47Å; K594-S601 PolarHBondContact O-OG 2.98Å; H597-S601 PolarHBondContact O-N 3Å; H597-S601 PolarHBondContact O-OG 2.94Å; W598-S601 WeakPolarHBondContact CA-OG 3.49Å; W598-S601 PolarHBondContact O-N 2.96Å; W598-S601 VanDerWaalsContact O-N 3.09Å; S601-H603 PolarHBondContact O-N 3.28Å; S601-H603 VanDerWaalsContact O-N 3.14Å; S601-H603 PolarHBondContact O-ND1 3.24Å
602	L	95.4	Very high	91.9	Very high	24 Å²	24	77.7 Å²	77.7	13%	0.126	41%	0.41	C	S	.	.			trans	-70.5	104.3	176.4	-179.1	61.8	0	0	0	110.4	Y574 P582 F583 W598 L619 C622	Y574-L602 HydrophobicContact CD2-CD1 4.32Å; Y574-L602 HydrophobicContact CE2-CD1 4.3Å; P582-L602 HydrophobicContact CB-CD1 3.49Å; P582-L602 VanDerWaalsContact CB-CD1 3.49Å; P582-L602 HydrophobicContact CG-CD1 4.07Å; F583-L602 HydrophobicContact CE1-CB 4.01Å; F583-L602 HydrophobicContact CE1-CD1 4.43Å; F583-L602 HydrophobicContact CZ-CB 4.33Å; F583-L602 HydrophobicContact CZ-CD1 4.24Å; W598-L602 VanDerWaalsContact O-CB 3.27Å; W598-L602 WeakPolarHBondContact O-CB 3.39Å; W598-L602 PolarHBondContact O-N 3.37Å; L602-L619 HydrophobicContact CD2-CD2 4Å; L602-C622 HydrophobicContact CD2-CB 3.67Å
603	H	93.2	Very high	92.4	Very high	130 Å²	130	76.1 Å²	76.1	60%	0.602	41%	0.408	S	S	*	.			trans	-127.3	124.9	176.2	-62.1	88.9	0	0	0	109.6	Y574 S600 S601	Y574-H603 PolarHBondContact OH-O 3.14Å; S600-H603 PolarHBondContact O-CE1 3.01Å; S601-H603 PolarHBondContact O-N 3.28Å; S601-H603 VanDerWaalsContact O-N 3.14Å; S601-H603 PolarHBondContact O-ND1 3.24Å
604	I	93.3	Very high	92.7	Very high	44 Å²	44	73.9 Å²	73.9	23%	0.226	39%	0.39	C	S	.	.			trans	-89.6	119.3	173	-65.2	165.9	0	0	0	107.8	Y574 K606 L610 T615 I618 L619	Y574-I604 HydrophobicContact CD2-CG1 4.13Å; Y574-I604 HydrophobicContact CE2-CG1 3.83Å; I604-K606 PolarHBondContact O-N 2.83Å; I604-L610 HydrophobicContact CG2-CD1 3.79Å; I604-T615 HydrophobicContact CD1-CG2 3.8Å; I604-I618 HydrophobicContact CD1-CB 4.27Å; I604-I618 HydrophobicContact CD1-CD1 4.44Å; I604-I618 HydrophobicContact CD1-CG2 3.98Å; I604-L619 HydrophobicContact CD1-CD2 4.44Å; I604-L619 HydrophobicContact CD1-CG 4.38Å
605	P	91.4	Very high	92.9	Very high	57 Å²	57	72 Å²	72	37%	0.37	39%	0.385	S	S	.	.			trans	-64.6	128.7	-178.6	-22.4	34	0	0	0	111.5	V578 G607 A608	V578-P605 HydrophobicContact CG1-CG 3.94Å; P605-G607 PolarHBondContact O-N 3.43Å; P605-G607 VanDerWaalsContact O-N 3.08Å; P605-A608 VanDerWaalsContact O-CB 3.3Å; P605-A608 WeakPolarHBondContact O-CB 3.47Å; P605-A608 PolarHBondContact O-N 3.1Å
606	K	86.8	Confident	93.2	Very high	203 Å²	203	74.9 Å²	74.9	88%	0.883	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-55.7	-29.9	177.7	-66.8	-173	178	-175.9	0	113.3	I604 A608	I604-K606 PolarHBondContact O-N 2.83Å; K606-A608 PolarHBondContact O-N 2.82Å
607	G	85.4	Confident	93.5	Very high	67 Å²	67	72 Å²	72	69%	0.691	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-72.9	-5.5	177.2	0	0	0	0	0	115.5	P605 N609	P605-G607 PolarHBondContact O-N 3.43Å; P605-G607 VanDerWaalsContact O-N 3.08Å; G607-N609 VanDerWaalsContact C-N 3.27Å
608	A	86.2	Confident	93.7	Very high	31 Å²	31	66.6 Å²	66.6	26%	0.256	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-74.7	-16.4	174.8	0	0	0	0	0	112.9	V578 P605 K606 L610	V578-A608 HydrophobicContact CG2-CB 4.47Å; P605-A608 VanDerWaalsContact O-CB 3.3Å; P605-A608 WeakPolarHBondContact O-CB 3.47Å; P605-A608 PolarHBondContact O-N 3.1Å; K606-A608 PolarHBondContact O-N 2.82Å; A608-L610 HydrophobicContact CB-CD1 4.45Å; A608-L610 HydrophobicContact CB-CD2 4.1Å; A608-L610 HydrophobicContact CB-CG 3.88Å; A608-L610 PolarHBondContact O-N 3.02Å
609	N	89.1	Confident	93.8	Very high	145 Å²	145	68.9 Å²	68.9	78%	0.775	38%	0.375	S	S	*	.			trans	52.3	35.3	177.4	-59.5	-35.3	0	0	0	114.4	G607	G607-N609 VanDerWaalsContact C-N 3.27Å
610	L	93	Very high	93.9	Very high	32 Å²	32	63.7 Å²	63.7	17%	0.168	36%	0.358	C	S	.	.			trans	-68.9	150.7	180	-53.6	-175.6	0	0	0	111.8	E439 V577 V578 I604 A608 A614 I618	E439-L610 VanDerWaalsContact OE1-CA 3.3Å; E439-L610 WeakPolarHBondContact OE1-CA 3.48Å; V577-L610 HydrophobicContact CB-CD2 3.66Å; V577-L610 HydrophobicContact CG2-CD1 3.66Å; V577-L610 HydrophobicContact CG2-CD2 3.62Å; V577-L610 HydrophobicContact CG2-CG 4.31Å; V578-L610 HydrophobicContact CG2-CD1 4.44Å; I604-L610 HydrophobicContact CG2-CD1 3.79Å; A608-L610 HydrophobicContact CB-CD1 4.45Å; A608-L610 HydrophobicContact CB-CD2 4.1Å; A608-L610 HydrophobicContact CB-CG 3.88Å; A608-L610 PolarHBondContact O-N 3.02Å; L610-A614 HydrophobicContact CB-CB 4.31Å; L610-I618 HydrophobicContact CD1-CD1 4.15Å
611	S	95.8	Very high	94.1	Very high	42 Å²	42	59.7 Å²	59.7	29%	0.294	33%	0.33	S	S	.	.			trans	-64.7	153.9	168.8	64.9	0	0	0	0	111.4	E439 A613 A614 T615	E439-S611 PolarHBondContact OE1-N 3.37Å; E439-S611 PolarHBondContact OE1-OG 2.93Å; E439-S611 WeakPolarHBondContact OE2-CB 3.3Å; E439-S611 PolarHBondContact OE2-OG 3.26Å; S611-A613 PolarHBondContact O-N 3.48Å; S611-A614 PolarHBondContact O-N 3.34Å; S611-A614 VanDerWaalsContact O-N 3.15Å; S611-A614 VanDerWaalsContact OG-CB 3.3Å; S611-A614 WeakPolarHBondContact OG-CB 3.12Å; S611-A614 PolarHBondContact OG-N 3.49Å; S611-T615 PolarHBondContact O-N 3.08Å; S611-T615 PolarHBondContact O-OG1 3.36Å; S611-T615 VanDerWaalsContact O-OG1 3.06Å
612	E	95.8	Very high	94.2	Very high	177 Å²	177	58.6 Å²	58.6	83%	0.827	32%	0.322	S	S	*	.	H	α-helix	trans	-57	-42	175.3	-174.4	174.5	-167.5	0	0	110.7	A614 T615 D616	E612-A614 PolarHBondContact O-N 2.7Å; E612-T615 WeakPolarHBondContact O-CB 3.47Å; E612-T615 PolarHBondContact O-N 3.32Å; E612-D616 VanDerWaalsContact O-CB 3.26Å; E612-D616 WeakPolarHBondContact O-CB 3.48Å; E612-D616 PolarHBondContact O-N 2.78Å
613	A	97.1	Very high	94.2	Very high	28 Å²	28	58.1 Å²	58.1	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-32.9	177	0	0	0	0	0	113.9	S611 L617 H641 P642 F643	S611-A613 PolarHBondContact O-N 3.48Å; A613-L617 WeakPolarHBondContact O-CB 3.49Å; A613-L617 PolarHBondContact O-N 2.69Å; A613-L617 VanDerWaalsContact O-N 3.12Å; A613-H641 PolarHBondContact O-CE1 3.39Å; A613-H641 VanDerWaalsContact O-CE1 3.31Å; A613-P642 HydrophobicContact CB-CB 4.43Å; A613-F643 HydrophobicContact CB-CB 4.14Å; A613-F643 HydrophobicContact CB-CD2 4.47Å
614	A	97.4	Very high	94.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-44.2	172.6	0	0	0	0	0	111.2	E439 F573 L610 S611 E612 L617 I618 F643	E439-A614 WeakPolarHBondContact OE1-CB 3.12Å; F573-A614 HydrophobicContact CE1-CB 4.24Å; F573-A614 WeakPolarHBondContact CE1-O 3.39Å; F573-A614 HydrophobicContact CZ-CB 3.8Å; L610-A614 HydrophobicContact CB-CB 4.31Å; S611-A614 PolarHBondContact O-N 3.34Å; S611-A614 VanDerWaalsContact O-N 3.15Å; S611-A614 VanDerWaalsContact OG-CB 3.3Å; S611-A614 WeakPolarHBondContact OG-CB 3.12Å; S611-A614 PolarHBondContact OG-N 3.49Å; E612-A614 PolarHBondContact O-N 2.7Å; A614-L617 PolarHBondContact O-N 3.28Å; A614-I618 WeakPolarHBondContact O-CG1 3.29Å; A614-I618 PolarHBondContact O-N 3.35Å; A614-I618 VanDerWaalsContact O-N 3.12Å; A614-F643 HydrophobicContact CB-CD2 3.98Å; A614-F643 HydrophobicContact CB-CE2 3.8Å
615	T	97	Very high	94.2	Very high	42 Å²	42	52 Å²	52	26%	0.258	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-48.5	177	-60.2	0	0	0	0	111.3	I604 S611 E612 I618 L619	I604-T615 HydrophobicContact CD1-CG2 3.8Å; S611-T615 PolarHBondContact O-N 3.08Å; S611-T615 PolarHBondContact O-OG1 3.36Å; S611-T615 VanDerWaalsContact O-OG1 3.06Å; E612-T615 WeakPolarHBondContact O-CB 3.47Å; E612-T615 PolarHBondContact O-N 3.32Å; T615-I618 PolarHBondContact O-N 3.19Å; T615-L619 HydrophobicContact CG2-CD1 4.14Å; T615-L619 WeakPolarHBondContact O-CG 3.21Å; T615-L619 PolarHBondContact O-N 2.85Å; T615-L619 VanDerWaalsContact O-N 3.08Å
616	D	97.3	Very high	94.2	Very high	60 Å²	60	53.1 Å²	53.1	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-45.5	178	-173.6	34.2	0	0	0	111.8	E612 I618 L619 Q620 H641	E612-D616 VanDerWaalsContact O-CB 3.26Å; E612-D616 WeakPolarHBondContact O-CB 3.48Å; E612-D616 PolarHBondContact O-N 2.78Å; D616-I618 VanDerWaalsContact C-N 3.34Å; D616-I618 PolarHBondContact O-N 3.39Å; D616-L619 PolarHBondContact O-N 2.78Å; D616-L619 VanDerWaalsContact O-N 3.14Å; D616-Q620 WeakPolarHBondContact O-CB 3.41Å; D616-Q620 WeakPolarHBondContact O-CG 3.4Å; D616-Q620 PolarHBondContact O-N 3.36Å; D616-Q620 PolarHBondContact OD1-NE2 3.01Å; D616-Q620 PolarHBondContact OD2-NE2 3.33Å; D616-H641 IonicContact OD2-CE1 3.81Å; D616-H641 IonicContact OD2-NE2 2.83Å; D616-H641 PolarHBondContact OD2-NE2 3.27Å
617	L	98.1	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-42.6	177.3	-179.2	59.6	0	0	0	112.3	F573 A613 A614 Q620 L621 L629 H641 F643 F644	F573-L617 HydrophobicContact CD1-CD2 3.96Å; F573-L617 HydrophobicContact CD1-CG 4.21Å; F573-L617 HydrophobicContact CE1-CB 4.13Å; F573-L617 HydrophobicContact CE1-CD2 3.77Å; F573-L617 HydrophobicContact CE1-CG 4.15Å; A613-L617 WeakPolarHBondContact O-CB 3.49Å; A613-L617 PolarHBondContact O-N 2.69Å; A613-L617 VanDerWaalsContact O-N 3.12Å; A614-L617 PolarHBondContact O-N 3.28Å; L617-Q620 PolarHBondContact O-N 3.22Å; L617-L621 HydrophobicContact CD1-CD1 3.74Å; L617-L621 HydrophobicContact CD1-CG 4.05Å; L617-L621 HydrophobicContact CG-CD1 3.91Å; L617-L621 WeakPolarHBondContact O-CB 3.28Å; L617-L621 VanDerWaalsContact O-CG 3.32Å; L617-L621 WeakPolarHBondContact O-CG 3.37Å; L617-L621 PolarHBondContact O-N 3.39Å; L617-L621 VanDerWaalsContact O-N 3.09Å; L617-L629 HydrophobicContact CD1-CD1 3.96Å; L617-H641 HydrophobicContact CD1-CB 4.28Å; L617-H641 PolarHBondContact N-CE1 2.84Å; L617-F643 HydrophobicContact CB-CB 4.41Å; L617-F643 HydrophobicContact CD2-CB 4.03Å; L617-F643 HydrophobicContact CD2-CD1 3.38Å; L617-F643 HydrophobicContact CD2-CE1 4.07Å; L617-F643 HydrophobicContact CD2-CG 3.9Å; L617-F644 HydrophobicContact CD1-CE2 4.14Å; L617-F644 HydrophobicContact CD2-CE1 4.46Å; L617-F644 HydrophobicContact CD2-CE2 3.66Å; L617-F644 HydrophobicContact CD2-CZ 3.55Å
618	I	97.6	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-46.9	176.1	-70.2	168.8	0	0	0	110	F573 Y574 V577 I604 L610 A614 T615 D616 L621 C622	F573-I618 HydrophobicContact CD1-CD1 4.15Å; F573-I618 HydrophobicContact CD1-CG1 3.47Å; F573-I618 VanDerWaalsContact CD1-CG1 3.47Å; F573-I618 HydrophobicContact CE1-CD1 4.15Å; F573-I618 HydrophobicContact CE1-CG1 3.73Å; F573-I618 HydrophobicContact CG-CG1 4.34Å; Y574-I618 HydrophobicContact CD2-CD1 4.37Å; Y574-I618 HydrophobicContact CD2-CG2 4.05Å; V577-I618 HydrophobicContact CG2-CD1 4.13Å; I604-I618 HydrophobicContact CD1-CB 4.27Å; I604-I618 HydrophobicContact CD1-CD1 4.44Å; I604-I618 HydrophobicContact CD1-CG2 3.98Å; L610-I618 HydrophobicContact CD1-CD1 4.15Å; A614-I618 WeakPolarHBondContact O-CG1 3.29Å; A614-I618 PolarHBondContact O-N 3.35Å; A614-I618 VanDerWaalsContact O-N 3.12Å; T615-I618 PolarHBondContact O-N 3.19Å; D616-I618 VanDerWaalsContact C-N 3.34Å; D616-I618 PolarHBondContact O-N 3.39Å; I618-L621 PolarHBondContact O-N 3.17Å; I618-C622 VanDerWaalsContact O-CB 3.25Å; I618-C622 WeakPolarHBondContact O-CB 3.47Å; I618-C622 PolarHBondContact O-N 3.06Å
619	L	97.1	Very high	95.5	Very high	84 Å²	84	45.8 Å²	45.8	44%	0.44	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-34.8	-178	-67.1	173.1	0	0	0	112.6	L602 I604 T615 D616 C623	L602-L619 HydrophobicContact CD2-CD2 4Å; I604-L619 HydrophobicContact CD1-CD2 4.44Å; I604-L619 HydrophobicContact CD1-CG 4.38Å; T615-L619 HydrophobicContact CG2-CD1 4.14Å; T615-L619 WeakPolarHBondContact O-CG 3.21Å; T615-L619 PolarHBondContact O-N 2.85Å; T615-L619 VanDerWaalsContact O-N 3.08Å; D616-L619 PolarHBondContact O-N 2.78Å; D616-L619 VanDerWaalsContact O-N 3.14Å; L619-C623 WeakPolarHBondContact O-CB 3.47Å
620	Q	97.2	Very high	95.7	Very high	64 Å²	64	38.9 Å²	38.9	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-79.4	-15.6	177.6	-68.1	-172.1	37.6	0	0	114.3	D616 L617 C623 L629	D616-Q620 WeakPolarHBondContact O-CB 3.41Å; D616-Q620 WeakPolarHBondContact O-CG 3.4Å; D616-Q620 PolarHBondContact O-N 3.36Å; D616-Q620 PolarHBondContact OD1-NE2 3.01Å; D616-Q620 PolarHBondContact OD2-NE2 3.33Å; L617-Q620 PolarHBondContact O-N 3.22Å; Q620-C623 PolarHBondContact O-SG 3.48Å; Q620-L629 HydrophobicContact CB-CD1 3.51Å; Q620-L629 HydrophobicContact CB-CG 3.81Å; Q620-L629 HydrophobicContact CG-CD1 4.46Å; Q620-L629 PolarHBondContact O-N 2.98Å
621	L	97.6	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-94.1	-44	171.1	-69.4	172.1	0	0	0	112.1	W566 V569 L617 I618 C623 R628 L629 I638	W566-L621 HydrophobicContact CB-CD2 4.14Å; V569-L621 HydrophobicContact CG1-CD1 4.12Å; L617-L621 HydrophobicContact CD1-CD1 3.74Å; L617-L621 HydrophobicContact CD1-CG 4.05Å; L617-L621 HydrophobicContact CG-CD1 3.91Å; L617-L621 WeakPolarHBondContact O-CB 3.28Å; L617-L621 VanDerWaalsContact O-CG 3.32Å; L617-L621 WeakPolarHBondContact O-CG 3.37Å; L617-L621 PolarHBondContact O-N 3.39Å; L617-L621 VanDerWaalsContact O-N 3.09Å; I618-L621 PolarHBondContact O-N 3.17Å; L621-C623 PolarHBondContact O-N 3.31Å; L621-C623 VanDerWaalsContact O-N 3.08Å; L621-R628 VanDerWaalsContact O-CD 3.27Å; L621-R628 WeakPolarHBondContact O-CD 3.37Å; L621-R628 WeakPolarHBondContact O-CG 3.45Å; L621-R628 PolarHBondContact O-NE 3.15Å; L621-L629 HydrophobicContact CD2-CB 4.11Å; L621-I638 HydrophobicContact CD2-CD1 4.1Å; L621-I638 HydrophobicContact CD2-CG1 4.23Å
622	C	96.7	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-86	47.6	-180	-65.6	0	0	0	0	112.4	W567 W598 L602 I618	W567-C622 HydrophobicContact CE3-CB 4.49Å; W567-C622 HydrophobicContact CZ3-CB 4.33Å; W567-C622 WeakPolarHBondContact CZ3-O 3.33Å; W598-C622 VanDerWaalsContact CE3-O 3.27Å; W598-C622 WeakPolarHBondContact CZ3-O 3.4Å; L602-C622 HydrophobicContact CD2-CB 3.67Å; I618-C622 VanDerWaalsContact O-CB 3.25Å; I618-C622 WeakPolarHBondContact O-CB 3.47Å; I618-C622 PolarHBondContact O-N 3.06Å
623	C	95.8	Very high	95	Very high	14 Å²	14	44.3 Å²	44.3	10%	0.095	23%	0.23	C	C	.	.	S	Bend	trans	-127.5	-177.8	176.4	71	0	0	0	0	113	W567 W598 L619 Q620 L621 R628	W567-C623 WeakPolarHBondContact CZ3-O 3.29Å; W598-C623 VanDerWaalsContact CH2-CA 3.46Å; W598-C623 HydrophobicContact CH2-CB 3.7Å; W598-C623 HydrophobicContact CZ2-CB 4.36Å; W598-C623 HydrophobicContact CZ3-CB 4Å; L619-C623 WeakPolarHBondContact O-CB 3.47Å; Q620-C623 PolarHBondContact O-SG 3.48Å; L621-C623 PolarHBondContact O-N 3.31Å; L621-C623 VanDerWaalsContact O-N 3.08Å; C623-R628 PolarHBondContact O-NE 2.94Å; C623-R628 PolarHBondContact O-NH2 3.27Å; C623-R628 VanDerWaalsContact SG-CA 3.5Å
624	G	93.3	Very high	94.7	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.233	C	C	.	.			trans	-64.5	144.6	179.2	0	0	0	0	0	112	E626 N627 R628	G624-E626 VanDerWaalsContact CA-OE2 3.27Å; G624-E626 WeakPolarHBondContact CA-OE2 3.26Å; G624-E626 PolarHBondContact O-N 3.49Å; G624-N627 PolarHBondContact O-N 2.96Å; G624-R628 PolarHBondContact O-N 2.97Å; G624-R628 VanDerWaalsContact O-N 3.09Å
625	P	91.9	Very high	94.5	Very high	45 Å²	45	46 Å²	46	29%	0.292	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.4	-174.9	26.3	-36.1	0	0	0	113.3	L563 N627	L563-P625 HydrophobicContact CD1-CB 4.36Å; P625-N627 VanDerWaalsContact C-N 3.3Å; P625-N627 PolarHBondContact O-N 3.35Å
626	E	92.3	Very high	94.5	Very high	79 Å²	79	46.1 Å²	46.1	37%	0.369	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.9	175.8	72.4	-71.1	169.4	0	0	114.5	R599 G624 K631	R599-E626 IonicContact NH2-OE1 2.64Å; R599-E626 PolarHBondContact NH2-OE1 3.26Å; G624-E626 VanDerWaalsContact CA-OE2 3.27Å; G624-E626 WeakPolarHBondContact CA-OE2 3.26Å; G624-E626 PolarHBondContact O-N 3.49Å; E626-K631 VanDerWaalsContact O-CD 3.24Å; E626-K631 WeakPolarHBondContact O-CD 3.39Å; E626-K631 WeakPolarHBondContact O-CE 3.23Å; E626-K631 PolarHBondContact O-NZ 3.45Å
627	N	93.9	Very high	94.3	Very high	121 Å²	121	44.1 Å²	44.1	65%	0.647	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-1.8	-177.7	-66.2	-48.9	0	0	0	113.4	G624 P625	G624-N627 PolarHBondContact O-N 2.96Å; P625-N627 VanDerWaalsContact C-N 3.3Å; P625-N627 PolarHBondContact O-N 3.35Å
628	R	96.6	Very high	94.3	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	23%	0.227	C	C	.	.			trans	-70	137.6	-173.4	-162.7	177.5	-59.4	150.1	3.6	111.8	E553 L563 L621 C623 G624 G630 K631	E553-R628 IonicContact OE1-CZ 2.77Å; E553-R628 IonicContact OE1-NH1 2.68Å; E553-R628 PolarHBondContact OE1-NH1 2.87Å; E553-R628 IonicContact OE1-NH2 3.17Å; E553-R628 PolarHBondContact OE1-NH2 3.4Å; E553-R628 IonicContact OE2-CZ 3.17Å; E553-R628 IonicContact OE2-NH1 3.58Å; E553-R628 IonicContact OE2-NH2 3.29Å; E553-R628 PolarHBondContact OE2-NH2 3.26Å; L563-R628 VanDerWaalsContact C-NH1 3.3Å; L563-R628 WeakPolarHBondContact O-CD 3.43Å; L563-R628 PolarHBondContact O-NH1 2.85Å; L621-R628 VanDerWaalsContact O-CD 3.27Å; L621-R628 WeakPolarHBondContact O-CD 3.37Å; L621-R628 WeakPolarHBondContact O-CG 3.45Å; L621-R628 PolarHBondContact O-NE 3.15Å; C623-R628 PolarHBondContact O-NE 2.94Å; C623-R628 PolarHBondContact O-NH2 3.27Å; C623-R628 VanDerWaalsContact SG-CA 3.5Å; G624-R628 PolarHBondContact O-N 2.97Å; G624-R628 VanDerWaalsContact O-N 3.09Å; R628-G630 PolarHBondContact O-N 2.86Å; R628-K631 VanDerWaalsContact O-CB 3.31Å; R628-K631 WeakPolarHBondContact O-CB 3.38Å; R628-K631 PolarHBondContact O-N 3.43Å
629	L	95	Very high	94.2	Very high	23 Å²	23	46.3 Å²	46.3	12%	0.12	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.5	172	-78.9	167.5	0	0	0	111.2	L617 Q620 L621 D637 I638	L617-L629 HydrophobicContact CD1-CD1 3.96Å; Q620-L629 HydrophobicContact CB-CD1 3.51Å; Q620-L629 HydrophobicContact CB-CG 3.81Å; Q620-L629 HydrophobicContact CG-CD1 4.46Å; Q620-L629 PolarHBondContact O-N 2.98Å; L621-L629 HydrophobicContact CD2-CB 4.11Å; L629-D637 HydrophobicContact CD2-CB 4.11Å; L629-I638 HydrophobicContact CB-CG1 3.73Å
630	G	92.8	Very high	94.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	4.7	-177	0	0	0	0	0	115.7	L563 R628 E634	L563-G630 VanDerWaalsContact CD2-C 3.48Å; L563-G630 VanDerWaalsContact CD2-O 3.26Å; L563-G630 WeakPolarHBondContact CD2-O 3.37Å; R628-G630 PolarHBondContact O-N 2.86Å; G630-E634 WeakPolarHBondContact CA-O 3.39Å; G630-E634 WeakPolarHBondContact O-CA 3.35Å; G630-E634 PolarHBondContact O-N 3.24Å
631	K	91.7	Very high	94.2	Very high	108 Å²	108	47 Å²	47	47%	0.47	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-46.9	168.2	179	-170.3	167.4	-159.1	0	113.3	L563 E626 R628	L563-K631 HydrophobicContact CD1-CB 4.07Å; L563-K631 HydrophobicContact CD1-CG 4.26Å; L563-K631 HydrophobicContact CD2-CB 4.49Å; E626-K631 VanDerWaalsContact O-CD 3.24Å; E626-K631 WeakPolarHBondContact O-CD 3.39Å; E626-K631 WeakPolarHBondContact O-CE 3.23Å; E626-K631 PolarHBondContact O-NZ 3.45Å; R628-K631 VanDerWaalsContact O-CB 3.31Å; R628-K631 WeakPolarHBondContact O-CB 3.38Å; R628-K631 PolarHBondContact O-N 3.43Å
632	D	89.2	Confident	94.2	Very high	127 Å²	127	50.9 Å²	50.9	68%	0.679	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-35.9	-167.2	-60.4	-31.6	0	0	0	113
633	K	89.6	Confident	94.2	Very high	130 Å²	130	51 Å²	51	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	28.4	-179.6	-46.9	179.3	-179.6	174.9	0	113.1	A636 D637	K633-A636 HydrophobicContact CB-CB 4.14Å; K633-A636 VanDerWaalsContact O-CB 3.23Å; K633-A636 WeakPolarHBondContact O-CB 3.5Å; K633-A636 PolarHBondContact O-N 3.21Å; K633-A636 VanDerWaalsContact O-N 3.09Å; K633-D637 WeakPolarHBondContact CB-OD1 3.5Å; K633-D637 PolarHBondContact N-OD2 3.42Å
634	E	90.6	Very high	94.3	Very high	63 Å²	63	50.6 Å²	50.6	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-142.9	178.2	-46.9	-171.4	146.1	0	0	112.3	H454 Q562 G630 A636 D637	H454-E634 IonicContact CE1-OE2 2.4Å; H454-E634 PolarHBondContact CE1-OE2 3.21Å; H454-E634 IonicContact ND1-OE2 2.68Å; H454-E634 IonicContact NE2-OE2 3.3Å; H454-E634 PolarHBondContact NE2-OE2 2.95Å; Q562-E634 PolarHBondContact NE2-OE1 3.1Å; G630-E634 WeakPolarHBondContact CA-O 3.39Å; G630-E634 WeakPolarHBondContact O-CA 3.35Å; G630-E634 PolarHBondContact O-N 3.24Å; E634-A636 PolarHBondContact O-N 2.92Å; E634-D637 PolarHBondContact O-N 3.37Å; E634-D637 VanDerWaalsContact O-N 3.08Å
635	A	94.2	Very high	94.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-53.4	-21.9	177.5	0	0	0	0	0	114.1	V450 H454 W566 D637 I638 K639	V450-A635 HydrophobicContact CG1-CB 3.93Å; H454-A635 HydrophobicContact CB-CB 3.64Å; W566-A635 HydrophobicContact CH2-CB 3.94Å; W566-A635 HydrophobicContact CZ2-CB 3.96Å; A635-D637 PolarHBondContact O-N 3.28Å; A635-I638 PolarHBondContact O-N 2.93Å; A635-K639 WeakPolarHBondContact O-CB 3.42Å; A635-K639 WeakPolarHBondContact O-CG 3.27Å; A635-K639 PolarHBondContact O-N 3.29Å
636	A	95.3	Very high	94.4	Very high	43 Å²	43	60.1 Å²	60.1	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-29.6	179	0	0	0	0	0	112.7	K633 E634 R640	K633-A636 HydrophobicContact CB-CB 4.14Å; K633-A636 VanDerWaalsContact O-CB 3.23Å; K633-A636 WeakPolarHBondContact O-CB 3.5Å; K633-A636 PolarHBondContact O-N 3.21Å; K633-A636 VanDerWaalsContact O-N 3.09Å; E634-A636 PolarHBondContact O-N 2.92Å; A636-R640 WeakPolarHBondContact O-CG 3.27Å; A636-R640 PolarHBondContact O-N 3.46Å; A636-R640 PolarHBondContact O-NH1 2.87Å
637	D	94	Very high	94.5	Very high	18 Å²	18	58.1 Å²	58.1	10%	0.096	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-47.3	175.9	-63.7	-31	0	0	0	111	L629 K633 E634 A635 K639 R640	L629-D637 HydrophobicContact CD2-CB 4.11Å; K633-D637 WeakPolarHBondContact CB-OD1 3.5Å; K633-D637 PolarHBondContact N-OD2 3.42Å; E634-D637 PolarHBondContact O-N 3.37Å; E634-D637 VanDerWaalsContact O-N 3.08Å; A635-D637 PolarHBondContact O-N 3.28Å; D637-K639 VanDerWaalsContact C-N 3.31Å; D637-K639 PolarHBondContact O-N 3.21Å; D637-R640 PolarHBondContact O-N 2.9Å; D637-R640 IonicContact OD1-CZ 3.66Å; D637-R640 VanDerWaalsContact OD1-CZ 3.3Å; D637-R640 IonicContact OD1-NH1 3.19Å; D637-R640 PolarHBondContact OD1-NH1 3.13Å; D637-R640 IonicContact OD1-NH2 3.03Å; D637-R640 PolarHBondContact OD1-NH2 3.14Å
638	I	97.1	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-43.6	176.5	-56.9	167	0	0	0	110.5	V450 W566 L621 L629 A635 R640 H641 F644	V450-I638 HydrophobicContact CG1-CB 4.38Å; V450-I638 HydrophobicContact CG1-CG2 4.19Å; V450-I638 HydrophobicContact CG2-CG2 3.69Å; W566-I638 HydrophobicContact CB-CD1 4.29Å; W566-I638 HydrophobicContact CD2-CD1 3.3Å; W566-I638 HydrophobicContact CE3-CD1 3.41Å; W566-I638 VanDerWaalsContact CE3-CD1 3.41Å; W566-I638 HydrophobicContact CG-CD1 3.7Å; W566-I638 HydrophobicContact CH2-CD1 4.29Å; W566-I638 HydrophobicContact CZ2-CD1 4.19Å; W566-I638 HydrophobicContact CZ3-CD1 3.92Å; L621-I638 HydrophobicContact CD2-CD1 4.1Å; L621-I638 HydrophobicContact CD2-CG1 4.23Å; L629-I638 HydrophobicContact CB-CG1 3.73Å; A635-I638 PolarHBondContact O-N 2.93Å; I638-R640 PolarHBondContact O-N 3.37Å; I638-H641 WeakPolarHBondContact O-CB 3.34Å; I638-H641 PolarHBondContact O-N 3.46Å; I638-H641 VanDerWaalsContact O-N 3.07Å; I638-F644 HydrophobicContact CG2-CE2 3.82Å; I638-F644 HydrophobicContact CG2-CZ 4.38Å; I638-F644 VanDerWaalsContact O-CD2 3.24Å; I638-F644 WeakPolarHBondContact O-CD2 3.37Å; I638-F644 WeakPolarHBondContact O-CE2 3.27Å
639	K	96.9	Very high	94.5	Very high	47 Å²	47	58.5 Å²	58.5	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-21.8	-179.8	-74.2	-175.6	174.7	-158.9	0	114.9	V450 C451 A635 D637 W649	V450-K639 HydrophobicContact CG1-CG 4.04Å; C451-K639 PolarHBondContact SG-NZ 3.02Å; A635-K639 WeakPolarHBondContact O-CB 3.42Å; A635-K639 WeakPolarHBondContact O-CG 3.27Å; A635-K639 PolarHBondContact O-N 3.29Å; D637-K639 VanDerWaalsContact C-N 3.31Å; D637-K639 PolarHBondContact O-N 3.21Å; K639-W649 HydrophobicContact CB-CD2 4.23Å; K639-W649 HydrophobicContact CB-CH2 4.34Å; K639-W649 HydrophobicContact CB-CZ2 3.79Å; K639-W649 HydrophobicContact CD-CD2 3.73Å; K639-W649 HydrophobicContact CD-CE3 3.82Å; K639-W649 HydrophobicContact CD-CG 4.07Å; K639-W649 HydrophobicContact CD-CZ3 4.23Å; K639-W649 VanDerWaalsContact CE-CE3 3.45Å; K639-W649 HydrophobicContact CG-CD2 3.72Å; K639-W649 HydrophobicContact CG-CE3 3.8Å; K639-W649 HydrophobicContact CG-CG 4.43Å; K639-W649 HydrophobicContact CG-CH2 3.7Å; K639-W649 HydrophobicContact CG-CZ2 3.63Å; K639-W649 HydrophobicContact CG-CZ3 3.77Å; K639-W649 PolarHBondContact O-NE1 3.11Å
640	R	96	Very high	94.3	Very high	152 Å²	152	64.9 Å²	64.9	57%	0.574	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.6	177	-66.5	-174.4	-39.6	-89.5	4.6	113.2	A636 D637 I638	A636-R640 WeakPolarHBondContact O-CG 3.27Å; A636-R640 PolarHBondContact O-N 3.46Å; A636-R640 PolarHBondContact O-NH1 2.87Å; D637-R640 PolarHBondContact O-N 2.9Å; D637-R640 IonicContact OD1-CZ 3.66Å; D637-R640 VanDerWaalsContact OD1-CZ 3.3Å; D637-R640 IonicContact OD1-NH1 3.19Å; D637-R640 PolarHBondContact OD1-NH1 3.13Å; D637-R640 IonicContact OD1-NH2 3.03Å; D637-R640 PolarHBondContact OD1-NH2 3.14Å; I638-R640 PolarHBondContact O-N 3.37Å
641	H	97.6	Very high	94.3	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.046	35%	0.352	C	S	.	.	S	Bend	trans	-63.5	136.9	-178.5	-165.5	-90.3	0	0	0	111.5	A613 D616 L617 I638 F643 F644	A613-H641 PolarHBondContact O-CE1 3.39Å; A613-H641 VanDerWaalsContact O-CE1 3.31Å; D616-H641 IonicContact OD2-CE1 3.81Å; D616-H641 IonicContact OD2-NE2 2.83Å; D616-H641 PolarHBondContact OD2-NE2 3.27Å; L617-H641 HydrophobicContact CD1-CB 4.28Å; L617-H641 PolarHBondContact N-CE1 2.84Å; I638-H641 WeakPolarHBondContact O-CB 3.34Å; I638-H641 PolarHBondContact O-N 3.46Å; I638-H641 VanDerWaalsContact O-N 3.07Å; H641-F643 WeakPolarHBondContact ND1-CB 3.26Å; H641-F643 PolarHBondContact ND1-N 3.42Å; H641-F643 PolarHBondContact O-N 3.01Å; H641-F644 HydrophobicContact CB-CD2 4.03Å; H641-F644 HydrophobicContact CB-CE2 4.31Å; H641-F644 PolarHBondContact O-N 2.97Å
642	P	97.3	Very high	94.4	Very high	82 Å²	82	63.4 Å²	63.4	53%	0.532	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-52.7	-30.7	-176	-30	36.1	0	0	0	114.9	A613 F644 Q645	A613-P642 HydrophobicContact CB-CB 4.43Å; P642-F644 PolarHBondContact O-N 3.29Å; P642-Q645 VanDerWaalsContact O-CB 3.25Å; P642-Q645 WeakPolarHBondContact O-CB 3.14Å; P642-Q645 PolarHBondContact O-N 3.4Å
643	F	97.6	Very high	94.5	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35.9	175.4	-176.4	-109.3	0	0	0	113.5	K443 F573 A613 A614 L617 H641 Q645	K443-F643 HydrophobicContact CB-CE1 3.74Å; K443-F643 HydrophobicContact CB-CZ 3.72Å; K443-F643 WeakPolarHBondContact CD-O 3.25Å; K443-F643 WeakPolarHBondContact CE-O 3.46Å; K443-F643 HydrophobicContact CG-CD1 4.28Å; K443-F643 HydrophobicContact CG-CE1 3.84Å; K443-F643 HydrophobicContact CG-CZ 4.17Å; K443-F643 PolarHBondContact NZ-O 3.21Å; F573-F643 HydrophobicContact CE1-CE1 4.21Å; F573-F643 HydrophobicContact CE1-CZ 4.26Å; F573-F643 AromaticContact CE2-CE1 3.92Å; F573-F643 HydrophobicContact CE2-CE1 3.92Å; F573-F643 HydrophobicContact CE2-CE2 4.39Å; F573-F643 AromaticContact CE2-CZ 3.6Å; F573-F643 HydrophobicContact CE2-CZ 3.6Å; F573-F643 HydrophobicContact CZ-CD1 4.3Å; F573-F643 HydrophobicContact CZ-CD2 4.37Å; F573-F643 AromaticContact CZ-CE1 3.6Å; F573-F643 HydrophobicContact CZ-CE1 3.6Å; F573-F643 AromaticContact CZ-CE2 3.72Å; F573-F643 HydrophobicContact CZ-CE2 3.72Å; F573-F643 AromaticContact CZ-CZ 3.29Å; F573-F643 HydrophobicContact CZ-CZ 3.29Å; A613-F643 HydrophobicContact CB-CB 4.14Å; A613-F643 HydrophobicContact CB-CD2 4.47Å; A614-F643 HydrophobicContact CB-CD2 3.98Å; A614-F643 HydrophobicContact CB-CE2 3.8Å; L617-F643 HydrophobicContact CB-CB 4.41Å; L617-F643 HydrophobicContact CD2-CB 4.03Å; L617-F643 HydrophobicContact CD2-CD1 3.38Å; L617-F643 HydrophobicContact CD2-CE1 4.07Å; L617-F643 HydrophobicContact CD2-CG 3.9Å; H641-F643 WeakPolarHBondContact ND1-CB 3.26Å; H641-F643 PolarHBondContact ND1-N 3.42Å; H641-F643 PolarHBondContact O-N 3.01Å; F643-Q645 VanDerWaalsContact C-N 3.33Å; F643-Q645 PolarHBondContact O-N 2.79Å
644	F	97.5	Very high	94.6	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.022	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-91	14.4	179.9	-54.7	-72.2	0	0	0	114.2	K443 V446 A447 L617 I638 H641 P642 G646 I647 W649	K443-F644 HydrophobicContact CG-CD1 4.11Å; V446-F644 HydrophobicContact CB-CE1 4.28Å; V446-F644 HydrophobicContact CG1-CE1 3.96Å; V446-F644 HydrophobicContact CG1-CZ 3.71Å; A447-F644 HydrophobicContact CB-CD1 4.08Å; A447-F644 HydrophobicContact CB-CE1 4.14Å; L617-F644 HydrophobicContact CD1-CE2 4.14Å; L617-F644 HydrophobicContact CD2-CE1 4.46Å; L617-F644 HydrophobicContact CD2-CE2 3.66Å; L617-F644 HydrophobicContact CD2-CZ 3.55Å; I638-F644 HydrophobicContact CG2-CE2 3.82Å; I638-F644 HydrophobicContact CG2-CZ 4.38Å; I638-F644 VanDerWaalsContact O-CD2 3.24Å; I638-F644 WeakPolarHBondContact O-CD2 3.37Å; I638-F644 WeakPolarHBondContact O-CE2 3.27Å; H641-F644 HydrophobicContact CB-CD2 4.03Å; H641-F644 HydrophobicContact CB-CE2 4.31Å; H641-F644 PolarHBondContact O-N 2.97Å; P642-F644 PolarHBondContact O-N 3.29Å; F644-G646 PolarHBondContact O-N 3.03Å; F644-I647 HydrophobicContact CB-CG1 4.13Å; F644-I647 WeakPolarHBondContact O-CB 3.21Å; F644-I647 WeakPolarHBondContact O-CG1 3.23Å; F644-I647 PolarHBondContact O-N 3.39Å; F644-I647 VanDerWaalsContact O-N 3.09Å; F644-W649 HydrophobicContact CB-CH2 4.27Å; F644-W649 HydrophobicContact CB-CZ2 3.55Å; F644-W649 AromaticContact CD1-CH2 3.91Å; F644-W649 HydrophobicContact CD1-CH2 3.91Å; F644-W649 HydrophobicContact CD1-CZ2 4.06Å; F644-W649 HydrophobicContact CD2-CH2 4.27Å; F644-W649 HydrophobicContact CD2-CZ2 4.08Å; F644-W649 HydrophobicContact CE1-CH2 4.3Å; F644-W649 AromaticContact CG-CH2 3.9Å; F644-W649 HydrophobicContact CG-CH2 3.9Å; F644-W649 AromaticContact CG-CZ2 3.64Å; F644-W649 HydrophobicContact CG-CZ2 3.64Å
645	Q	95	Very high	94.6	Very high	166 Å²	166	59.6 Å²	59.6	78%	0.776	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127	173.6	-174.7	178.1	7.1	0	0	110.7	P642 F643	P642-Q645 VanDerWaalsContact O-CB 3.25Å; P642-Q645 WeakPolarHBondContact O-CB 3.14Å; P642-Q645 PolarHBondContact O-N 3.4Å; F643-Q645 VanDerWaalsContact C-N 3.33Å; F643-Q645 PolarHBondContact O-N 2.79Å
646	G	93	Very high	94.6	Very high	80 Å²	80	68.4 Å²	68.4	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-3.2	-178.6	0	0	0	0	0	116.1	F644	F644-G646 PolarHBondContact O-N 3.03Å
647	I	94.7	Very high	94.6	Very high	38 Å²	38	66.5 Å²	66.5	20%	0.195	34%	0.341	C	S	.	.			trans	-78.3	121.3	175.9	-62.2	-63.5	0	0	0	111.2	K443 A447 F644 W649 L652	K443-I647 HydrophobicContact CD-CD1 4.18Å; K443-I647 HydrophobicContact CD-CG1 4.35Å; K443-I647 HydrophobicContact CG-CD1 4.27Å; K443-I647 HydrophobicContact CG-CG1 4.46Å; A447-I647 HydrophobicContact CB-CG2 4.24Å; F644-I647 HydrophobicContact CB-CG1 4.13Å; F644-I647 WeakPolarHBondContact O-CB 3.21Å; F644-I647 WeakPolarHBondContact O-CG1 3.23Å; F644-I647 PolarHBondContact O-N 3.39Å; F644-I647 VanDerWaalsContact O-N 3.09Å; I647-W649 HydrophobicContact CB-CZ2 4.41Å; I647-W649 HydrophobicContact CG2-CD2 3.77Å; I647-W649 HydrophobicContact CG2-CE3 4.08Å; I647-W649 HydrophobicContact CG2-CG 4.18Å; I647-W649 HydrophobicContact CG2-CH2 4.47Å; I647-W649 HydrophobicContact CG2-CZ2 4.16Å; I647-W649 HydrophobicContact CG2-CZ3 4.44Å; I647-W649 PolarHBondContact O-N 3.45Å; I647-L652 HydrophobicContact CG2-CD1 4.3Å; I647-L652 HydrophobicContact CG2-CD2 4.5Å
648	D	94.4	Very high	94.5	Very high	77 Å²	77	69.7 Å²	69.7	41%	0.412	36%	0.363	S	S	.	.			trans	-79.3	101.9	163.9	-179.7	-14	0	0	0	109.5	E650 N651 L652	D648-E650 VanDerWaalsContact C-N 3.31Å; D648-E650 PolarHBondContact O-N 2.96Å; D648-E650 PolarHBondContact OD1-N 3.2Å; D648-N651 PolarHBondContact OD1-N 3.19Å; D648-N651 WeakPolarHBondContact OD2-CB 3.32Å; D648-N651 PolarHBondContact OD2-ND2 3.48Å; D648-L652 WeakPolarHBondContact O-CA 3.38Å; D648-L652 WeakPolarHBondContact O-CB 3.35Å; D648-L652 PolarHBondContact O-N 3.23Å
649	W	94.7	Very high	94.3	Very high	54 Å²	54	71.2 Å²	71.2	21%	0.205	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.3	-179.1	-63.7	101.3	0	0	0	114.9	A447 V450 K639 F644 I647 L652	A447-W649 HydrophobicContact CB-CH2 3.71Å; A447-W649 HydrophobicContact CB-CZ3 3.65Å; A447-W649 WeakPolarHBondContact O-CZ3 3.34Å; V450-W649 HydrophobicContact CB-CZ3 4.38Å; V450-W649 HydrophobicContact CG1-CZ3 4.34Å; K639-W649 HydrophobicContact CB-CD2 4.23Å; K639-W649 HydrophobicContact CB-CH2 4.34Å; K639-W649 HydrophobicContact CB-CZ2 3.79Å; K639-W649 HydrophobicContact CD-CD2 3.73Å; K639-W649 HydrophobicContact CD-CE3 3.82Å; K639-W649 HydrophobicContact CD-CG 4.07Å; K639-W649 HydrophobicContact CD-CZ3 4.23Å; K639-W649 VanDerWaalsContact CE-CE3 3.45Å; K639-W649 HydrophobicContact CG-CD2 3.72Å; K639-W649 HydrophobicContact CG-CE3 3.8Å; K639-W649 HydrophobicContact CG-CG 4.43Å; K639-W649 HydrophobicContact CG-CH2 3.7Å; K639-W649 HydrophobicContact CG-CZ2 3.63Å; K639-W649 HydrophobicContact CG-CZ3 3.77Å; K639-W649 PolarHBondContact O-NE1 3.11Å; F644-W649 HydrophobicContact CB-CH2 4.27Å; F644-W649 HydrophobicContact CB-CZ2 3.55Å; F644-W649 AromaticContact CD1-CH2 3.91Å; F644-W649 HydrophobicContact CD1-CH2 3.91Å; F644-W649 HydrophobicContact CD1-CZ2 4.06Å; F644-W649 HydrophobicContact CD2-CH2 4.27Å; F644-W649 HydrophobicContact CD2-CZ2 4.08Å; F644-W649 HydrophobicContact CE1-CH2 4.3Å; F644-W649 AromaticContact CG-CH2 3.9Å; F644-W649 HydrophobicContact CG-CH2 3.9Å; F644-W649 AromaticContact CG-CZ2 3.64Å; F644-W649 HydrophobicContact CG-CZ2 3.64Å; I647-W649 HydrophobicContact CB-CZ2 4.41Å; I647-W649 HydrophobicContact CG2-CD2 3.77Å; I647-W649 HydrophobicContact CG2-CE3 4.08Å; I647-W649 HydrophobicContact CG2-CG 4.18Å; I647-W649 HydrophobicContact CG2-CH2 4.47Å; I647-W649 HydrophobicContact CG2-CZ2 4.16Å; I647-W649 HydrophobicContact CG2-CZ3 4.44Å; I647-W649 PolarHBondContact O-N 3.45Å; W649-L652 HydrophobicContact CE3-CD2 4.46Å
650	E	91.8	Very high	94.2	Very high	158 Å²	158	76.1 Å²	76.1	74%	0.738	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-41.9	176.9	-65.1	-165.4	179.7	0	0	110.9	D648	D648-E650 VanDerWaalsContact C-N 3.31Å; D648-E650 PolarHBondContact O-N 2.96Å; D648-E650 PolarHBondContact OD1-N 3.2Å
651	N	92.5	Very high	94	Very high	72 Å²	72	69.2 Å²	69.2	39%	0.385	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.7	-176.5	-59.1	-72.6	0	0	0	114.5	D648 R653 N654 V655	D648-N651 PolarHBondContact OD1-N 3.19Å; D648-N651 WeakPolarHBondContact OD2-CB 3.32Å; D648-N651 PolarHBondContact OD2-ND2 3.48Å; N651-R653 PolarHBondContact O-N 3.4Å; N651-N654 WeakPolarHBondContact O-CA 3.17Å; N651-N654 WeakPolarHBondContact O-CB 3.3Å; N651-N654 PolarHBondContact O-N 3.46Å; N651-V655 PolarHBondContact O-N 2.97Å
652	L	93.3	Very high	93.7	Very high	6 Å²	6	76 Å²	76	3%	0.031	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-46.2	-40.7	-178.5	-174.6	57.2	0	0	0	113.5	F444 A447 E448 I647 D648 W649 N654 V655	F444-L652 HydrophobicContact CD2-CD1 4.05Å; F444-L652 HydrophobicContact CE2-CD1 3.94Å; A447-L652 HydrophobicContact CB-CD2 3.84Å; E448-L652 HydrophobicContact CG-CD2 3.86Å; E448-L652 HydrophobicContact CG-CG 4.02Å; I647-L652 HydrophobicContact CG2-CD1 4.3Å; I647-L652 HydrophobicContact CG2-CD2 4.5Å; D648-L652 WeakPolarHBondContact O-CA 3.38Å; D648-L652 WeakPolarHBondContact O-CB 3.35Å; D648-L652 PolarHBondContact O-N 3.23Å; W649-L652 HydrophobicContact CE3-CD2 4.46Å; L652-N654 VanDerWaalsContact C-N 3.29Å; L652-N654 PolarHBondContact O-N 3.21Å; L652-V655 PolarHBondContact O-N 3.1Å
653	R	91.9	Very high	93.5	Very high	37 Å²	37	73.4 Å²	73.4	14%	0.14	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-72.4	-17.1	179.7	-159.5	67.1	-175	-115	3.8	114.6	E400 W401 D474 H478 I479 N651	E400-R653 PolarHBondContact O-NH1 3.2Å; E400-R653 PolarHBondContact O-NH2 3.29Å; W401-R653 HydrophobicContact CH2-CB 4.24Å; W401-R653 HydrophobicContact CH2-CG 4.49Å; W401-R653 HydrophobicContact CZ2-CB 4.43Å; D474-R653 IonicContact OD2-NH2 2.67Å; D474-R653 PolarHBondContact OD2-NH2 3.01Å; H478-R653 PolarHBondContact CE1-O 3.27Å; H478-R653 VanDerWaalsContact CE1-O 3.29Å; H478-R653 PolarHBondContact NE2-O 3.1Å; I479-R653 PolarHBondContact O-NH1 3.2Å; I479-R653 PolarHBondContact O-NH2 3.4Å; N651-R653 PolarHBondContact O-N 3.4Å
654	N	91.6	Very high	93.1	Very high	130 Å²	130	80.4 Å²	80.4	70%	0.695	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-96.2	-16.4	178.1	-59	-35	0	0	0	112.2	N651 L652	N651-N654 WeakPolarHBondContact O-CA 3.17Å; N651-N654 WeakPolarHBondContact O-CB 3.3Å; N651-N654 PolarHBondContact O-N 3.46Å; L652-N654 VanDerWaalsContact C-N 3.29Å; L652-N654 PolarHBondContact O-N 3.21Å
655	V	91.4	Very high	92.8	Very high	73 Å²	73	85 Å²	85	44%	0.442	43%	0.432	S	S	.	.	S	Bend	trans	-70.6	135.1	174.7	178.3	0	0	0	0	109.1	H478 N651 L652 A657	H478-V655 PolarHBondContact CE1-O 2.72Å; H478-V655 PolarHBondContact NE2-O 3.3Å; N651-V655 PolarHBondContact O-N 2.97Å; L652-V655 PolarHBondContact O-N 3.1Å; V655-A657 PolarHBondContact O-N 2.9Å; V655-A657 VanDerWaalsContact O-N 3.11Å
656	K	93.6	Very high	92.5	Very high	185 Å²	185	79.5 Å²	79.5	80%	0.804	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-58.8	117.5	175.3	-179.3	-171.3	174.1	-169.7	0	110.5
657	A	94.2	Very high	92.4	Very high	4 Å²	4	77.5 Å²	77.5	3%	0.033	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-56.5	141.1	178.7	0	0	0	0	0	112.6	F444 N476 V655 Y659	F444-A657 HydrophobicContact CE1-CB 3.87Å; F444-A657 HydrophobicContact CZ-CB 3.77Å; N476-A657 WeakPolarHBondContact O-CB 3.49Å; V655-A657 PolarHBondContact O-N 2.9Å; V655-A657 VanDerWaalsContact O-N 3.11Å; A657-Y659 VanDerWaalsContact C-N 3.34Å; A657-Y659 PolarHBondContact O-N 3.09Å
658	P	93.6	Very high	92.2	Very high	85 Å²	85	76 Å²	76	55%	0.552	38%	0.379	S	S	*	.	S	Bend	trans	-66.6	-31.3	-178.6	-21.6	33.2	0	0	0	114	L441 F444	L441-P658 HydrophobicContact CD1-CB 3.92Å; L441-P658 HydrophobicContact CD1-CG 4.49Å; F444-P658 HydrophobicContact CB-CG 4Å; F444-P658 VanDerWaalsContact CD1-CD 3.49Å; F444-P658 HydrophobicContact CD1-CG 4.22Å; F444-P658 HydrophobicContact CD2-CG 4.17Å; F444-P658 VanDerWaalsContact CG-CD 3.5Å; F444-P658 HydrophobicContact CG-CG 3.86Å
659	Y	92.7	Very high	92.1	Very high	31 Å²	31	73.2 Å²	73.2	12%	0.122	37%	0.365	C	S	.	.			trans	-113	131.3	169	172.6	-99.6	0	0	0	109.3	L430 K433 G477 A657 P661	L430-Y659 HydrophobicContact CD1-CD1 3.84Å; L430-Y659 HydrophobicContact CD1-CD2 4.19Å; L430-Y659 HydrophobicContact CD1-CE1 3.5Å; L430-Y659 HydrophobicContact CD1-CE2 3.88Å; L430-Y659 HydrophobicContact CD1-CG 4.17Å; L430-Y659 HydrophobicContact CD2-CD1 3.61Å; L430-Y659 HydrophobicContact CD2-CE1 3.89Å; L430-Y659 HydrophobicContact CD2-CG 4.22Å; L430-Y659 HydrophobicContact CG-CD1 4.4Å; L430-Y659 HydrophobicContact CG-CE1 4.3Å; K433-Y659 PolarHBondContact NZ-OH 2.79Å; G477-Y659 WeakPolarHBondContact CA-O 3.45Å; A657-Y659 VanDerWaalsContact C-N 3.34Å; A657-Y659 PolarHBondContact O-N 3.09Å; Y659-P661 HydrophobicContact CE1-CB 4.26Å
660	R	93.4	Very high	91.9	Very high	151 Å²	151	74.4 Å²	74.4	57%	0.57	38%	0.382	S	S	*	.			trans	-120	127	171.5	-172.2	-176.4	-173.2	-171.4	6.7	108.3	R475	R475-R660 PolarHBondContact O-NE 3.47Å
661	P	92.5	Very high	91.8	Very high	6 Å²	6	68.1 Å²	68.1	4%	0.039	35%	0.353	C	S	.	.			trans	-65.9	142.7	176.3	27.3	-33.9	0	0	0	111.1	I473 D474 Y659 I663	I473-P661 HydrophobicContact CG2-CG 4.4Å; D474-P661 VanDerWaalsContact O-CG 3.32Å; D474-P661 WeakPolarHBondContact O-CG 3.4Å; Y659-P661 HydrophobicContact CE1-CB 4.26Å; P661-I663 HydrophobicContact CB-CD1 4.28Å; P661-I663 HydrophobicContact CB-CG1 4.4Å; P661-I663 HydrophobicContact CG-CD1 3.87Å
662	E	92.2	Very high	91.6	Very high	152 Å²	152	65.9 Å²	65.9	71%	0.71	34%	0.34	S	S	*	.			trans	-77.1	126.3	169.6	-70.1	171.8	-172.4	0	0	108.4	N671	E662-N671 PolarHBondContact O-ND2 2.93Å
663	I	91.7	Very high	91	Very high	28 Å²	28	68.9 Å²	68.9	14%	0.144	36%	0.356	C	S	.	.			trans	-141.3	110.4	-175.5	-65	157.4	0	0	0	107	P423 R475 P661 D668	P423-I663 HydrophobicContact CB-CD1 3.81Å; P423-I663 HydrophobicContact CB-CG1 4.16Å; P423-I663 HydrophobicContact CB-CG2 4.25Å; P423-I663 HydrophobicContact CG-CD1 3.58Å; P423-I663 HydrophobicContact CG-CG1 4.44Å; R475-I663 HydrophobicContact CB-CD1 3.92Å; R475-I663 HydrophobicContact CG-CD1 3.8Å; P661-I663 HydrophobicContact CB-CD1 4.28Å; P661-I663 HydrophobicContact CB-CG1 4.4Å; P661-I663 HydrophobicContact CG-CD1 3.87Å; I663-D668 WeakPolarHBondContact CA-OD2 3.14Å; I663-D668 HydrophobicContact CG2-CB 4.21Å
664	L	90.3	Very high	90.4	Very high	150 Å²	150	71.5 Å²	71.5	79%	0.785	38%	0.378	S	S	*	.			trans	-80.7	-40.2	-171.8	-60.7	176.8	0	0	0	112.7	D668	L664-D668 PolarHBondContact N-OD2 3.14Å
665	H	90.1	Very high	89.7	Confident	102 Å²	102	67.1 Å²	67.1	47%	0.472	36%	0.356	S	S	.	.	S	Bend	trans	-147.4	167.5	-178	52.5	92.8	0	0	0	111.5	T667 D668	H665-T667 PolarHBondContact CE1-OG1 3.01Å; H665-T667 PolarHBondContact ND1-OG1 3.09Å; H665-T667 PolarHBondContact O-N 3.08Å; H665-D668 PolarHBondContact CE1-N 3.22Å; H665-D668 PolarHBondContact ND1-N 2.97Å; H665-D668 WeakPolarHBondContact O-CB 3.49Å; H665-D668 PolarHBondContact O-N 3.09Å
666	A	88.9	Confident	88.6	Confident	50 Å²	50	72 Å²	72	41%	0.413	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.6	-173.9	0	0	0	0	0	114	L367 L714	L367-A666 HydrophobicContact CD1-CB 3.78Å; L367-A666 VanDerWaalsContact CD1-O 3.25Å; L367-A666 WeakPolarHBondContact CD1-O 3.29Å; A666-L714 HydrophobicContact CB-CD1 4.45Å; A666-L714 HydrophobicContact CB-CD2 4.33Å
667	T	90.6	Very high	87.2	Confident	38 Å²	38	67.5 Å²	67.5	23%	0.233	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.3	175.8	52	0	0	0	0	113.7	I345 L358 L367 H665 T669	I345-T667 HydrophobicContact CD1-CG2 3.93Å; L358-T667 HydrophobicContact CD2-CG2 4.36Å; L367-T667 HydrophobicContact CD1-CG2 3.64Å; L367-T667 HydrophobicContact CD2-CG2 3.9Å; L367-T667 HydrophobicContact CG-CG2 4.44Å; H665-T667 PolarHBondContact CE1-OG1 3.01Å; H665-T667 PolarHBondContact ND1-OG1 3.09Å; H665-T667 PolarHBondContact O-N 3.08Å; T667-T669 PolarHBondContact O-N 3.32Å
668	D	91.4	Very high	85.7	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.043	38%	0.377	C	S	.	.			trans	-64.6	129.7	179.4	-173.3	-5.9	0	0	0	109.9	Y421 I663 L664 H665 S670	Y421-D668 PolarHBondContact OH-O 2.91Å; I663-D668 WeakPolarHBondContact CA-OD2 3.14Å; I663-D668 HydrophobicContact CG2-CB 4.21Å; L664-D668 PolarHBondContact N-OD2 3.14Å; H665-D668 PolarHBondContact CE1-N 3.22Å; H665-D668 PolarHBondContact ND1-N 2.97Å; H665-D668 WeakPolarHBondContact O-CB 3.49Å; H665-D668 PolarHBondContact O-N 3.09Å; D668-S670 WeakPolarHBondContact OD1-CB 3.43Å; D668-S670 PolarHBondContact OD1-N 3.37Å; D668-S670 PolarHBondContact OD1-OG 3.09Å; D668-S670 PolarHBondContact OD2-OG 3.04Å
669	T	91.4	Very high	83.7	Confident	17 Å²	17	76 Å²	76	10%	0.104	39%	0.391	C	S	.	.			trans	-129	21.2	-177	47.5	0	0	0	0	110.9	K346 I348 L358 Y421 T667 N671 F672	K346-T669 HydrophobicContact CD-CG2 4.27Å; K346-T669 WeakPolarHBondContact CD-OG1 3.38Å; K346-T669 PolarHBondContact NZ-OG1 2.84Å; I348-T669 HydrophobicContact CG2-CG2 3.73Å; L358-T669 HydrophobicContact CD2-CG2 3.88Å; Y421-T669 WeakPolarHBondContact OH-CG2 3.21Å; T667-T669 PolarHBondContact O-N 3.32Å; T669-N671 VanDerWaalsContact C-N 3.29Å; T669-N671 PolarHBondContact O-N 3.08Å; T669-F672 PolarHBondContact O-N 3.21Å
670	S	90.4	Very high	81.7	Confident	80 Å²	80	80.1 Å²	80.1	56%	0.559	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.9	179.2	56.3	0	0	0	0	113.7	D668 F672	D668-S670 WeakPolarHBondContact OD1-CB 3.43Å; D668-S670 PolarHBondContact OD1-N 3.37Å; D668-S670 PolarHBondContact OD1-OG 3.09Å; D668-S670 PolarHBondContact OD2-OG 3.04Å; S670-F672 PolarHBondContact O-N 3.17Å
671	N	90.4	Very high	79.7	Confident	26 Å²	26	76.4 Å²	76.4	14%	0.139	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.9	173.6	-58.9	-63.5	0	0	0	113.6	P423 G424 G425 E662 T669	P423-N671 PolarHBondContact O-ND2 3.11Å; P423-N671 VanDerWaalsContact O-ND2 3.09Å; G424-N671 WeakPolarHBondContact O-CB 3.44Å; G425-N671 WeakPolarHBondContact CA-O 3.43Å; E662-N671 PolarHBondContact O-ND2 2.93Å; T669-N671 VanDerWaalsContact C-N 3.29Å; T669-N671 PolarHBondContact O-N 3.08Å
672	F	87.7	Confident	77.5	Confident	25 Å²	25	81 Å²	81	11%	0.11	44%	0.437	C	S	.	.	S	Bend	trans	-110.7	139.7	174.5	-66.7	-92.8	0	0	0	110.4	I348 Y421 I422 T669 S670	I348-F672 HydrophobicContact CB-CD1 3.95Å; I348-F672 HydrophobicContact CB-CE1 4.23Å; I348-F672 HydrophobicContact CB-CG 4.19Å; I348-F672 HydrophobicContact CD1-CE1 4.17Å; I348-F672 HydrophobicContact CD1-CZ 4.24Å; I348-F672 HydrophobicContact CG2-CG 4.48Å; Y421-F672 AromaticContact CE2-CE2 3.78Å; Y421-F672 HydrophobicContact CE2-CE2 3.78Å; Y421-F672 AromaticContact CE2-CZ 3.94Å; Y421-F672 HydrophobicContact CE2-CZ 3.94Å; Y421-F672 AromaticContact CZ-CE2 3.95Å; Y421-F672 WeakPolarHBondContact OH-CE2 3.37Å; I422-F672 VanDerWaalsContact O-CZ 3.28Å; I422-F672 WeakPolarHBondContact O-CZ 3.24Å; T669-F672 PolarHBondContact O-N 3.21Å; S670-F672 PolarHBondContact O-N 3.17Å
673	D	81.9	Confident	75.3	Confident	68 Å²	68	75.9 Å²	75.9	36%	0.364	43%	0.426	S	S	.	.			trans	-56.5	137.9	173.3	-106.1	-4.8	0	0	0	110.5	H533 R537 V675	H533-D673 IonicContact CD2-OD2 2.72Å; H533-D673 IonicContact CE1-OD1 3.59Å; H533-D673 IonicContact NE2-OD1 3.17Å; H533-D673 PolarHBondContact NE2-OD1 2.4Å; H533-D673 IonicContact NE2-OD2 3.6Å; H533-D673 PolarHBondContact NE2-OD2 3.36Å; R537-D673 IonicContact NH1-OD1 2.72Å; R537-D673 PolarHBondContact NH1-OD1 3.09Å; R537-D673 IonicContact NH1-OD2 3.85Å; R537-D673 PolarHBondContact NH1-OD2 3.12Å; D673-V675 WeakPolarHBondContact O-CG2 3.42Å; D673-V675 PolarHBondContact O-N 2.88Å; D673-V675 VanDerWaalsContact O-N 3.16Å
674	P	78.7	Confident	73.1	Confident	92 Å²	92	81.9 Å²	81.9	60%	0.597	46%	0.458	S	S	*	.			trans	-60.7	120.6	172.8	-25	34.7	0	0	0	110.8	R537	R537-P674 PolarHBondContact NH2-O 3.32Å
675	V	77.3	Confident	71.1	Confident	39 Å²	39	81.7 Å²	81.7	24%	0.236	45%	0.453	C	S	.	.			trans	-106.2	123.8	179.5	-178.2	0	0	0	0	109.4	T347 I350 D673	T347-V675 HydrophobicContact CG2-CB 4.36Å; T347-V675 HydrophobicContact CG2-CG1 3.88Å; I350-V675 HydrophobicContact CD1-CG1 3.31Å; I350-V675 HydrophobicContact CG1-CG1 3.69Å; D673-V675 WeakPolarHBondContact O-CG2 3.42Å; D673-V675 PolarHBondContact O-N 2.88Å; D673-V675 VanDerWaalsContact O-N 3.16Å
676	E	68.9	Low	68.9	Low	175 Å²	175	79.1 Å²	79.1	82%	0.818	45%	0.447	S	S	*	.			trans	-72.2	127	166	-70.5	-179.2	-170.8	0	0	108.9	I350 R678	I350-E676 WeakPolarHBondContact CD1-O 3.31Å; E676-R678 PolarHBondContact O-N 3.32Å
677	P	63.7	Low	67	Low	90 Å²	90	77.5 Å²	77.5	58%	0.584	43%	0.434	S	S	*	.			trans	-58.4	134.5	176.3	-22.1	32.8	0	0	0	110.3	Q679	P677-Q679 PolarHBondContact O-N 3.31Å
678	R	62.4	Low	64.8	Low	87 Å²	87	80 Å²	80	33%	0.328	46%	0.458	S	S	.	.			trans	-58.8	111.2	166.5	-78.8	-175.2	174.4	147.6	0.7	108	I350 G351 G354 E676	I350-R678 HydrophobicContact CD1-CG 4.03Å; I350-R678 VanDerWaalsContact CG2-NH2 3.29Å; G351-R678 PolarHBondContact O-NH1 2.95Å; G351-R678 PolarHBondContact O-NH2 3.08Å; G351-R678 VanDerWaalsContact O-NH2 3.09Å; G354-R678 PolarHBondContact O-NH1 3.33Å; E676-R678 PolarHBondContact O-N 3.32Å
679	Q	51.5	Low	62.7	Low	180 Å²	180	83 Å²	83	84%	0.841	49%	0.491	S	S	*	.	S	Bend	trans	-57.9	141.9	161.3	-63.7	178.4	0.3	0	0	107.2	P677	P677-Q679 PolarHBondContact O-N 3.31Å
680	D	50.6	Low	60.8	Low	118 Å²	118	84.5 Å²	84.5	63%	0.631	50%	0.498	S	S	*	.			trans	66.8	65.2	-179.3	-49.9	-25.7	0	0	0	117.4	R374	R374-D680 PolarHBondContact NH2-O 3.18Å
681	M	51.7	Low	59.1	Low	74 Å²	74	83.4 Å²	83.4	37%	0.365	49%	0.488	S	S	.	.	S	Bend	trans	-74.5	-6.8	148.8	-68.3	-68.9	-73.9	0	0	113	V372 R374	V372-M681 HydrophobicContact CG1-CE 4.44Å; R374-M681 HydrophobicContact CG-CE 4.41Å; R374-M681 PolarHBondContact NE-SD 2.91Å; R374-M681 PolarHBondContact NH2-SD 2.79Å
682	S	46.3	Very low	57.5	Low	101 Å²	101	84.5 Å²	84.5	71%	0.706	49%	0.494	S	S	*	.			trans	-99.2	20	-177.7	48.9	0	0	0	0	114.5	D684	S682-D684 PolarHBondContact O-N 3.16Å; S682-D684 VanDerWaalsContact O-N 3.12Å
683	G	45.1	Very low	56.5	Low	46 Å²	46	84.9 Å²	84.9	47%	0.474	50%	0.496	S	S	.	.			trans	-66.2	109.3	173.8	0	0	0	0	0	110.7	Q685	G683-Q685 PolarHBondContact O-N 2.88Å
684	D	45	Very low	55.8	Low	153 Å²	153	82.6 Å²	82.6	82%	0.818	49%	0.486	S	S	*	.			trans	-73.7	31.6	-167.2	-152.4	11.7	0	0	0	114.8	S682 S686	S682-D684 PolarHBondContact O-N 3.16Å; S682-D684 VanDerWaalsContact O-N 3.12Å; D684-S686 PolarHBondContact O-N 3.45Å
685	Q	48.4	Very low	55.7	Low	146 Å²	146	78.6 Å²	78.6	68%	0.682	46%	0.459	S	S	*	.			trans	-77.6	67.2	167.5	-67.2	-173.8	31.6	0	0	109.3	G683	G683-Q685 PolarHBondContact O-N 2.88Å
686	S	45.7	Very low	55.2	Low	48 Å²	48	81.6 Å²	81.6	34%	0.336	47%	0.467	S	S	.	.			trans	-58.7	141.6	177.5	75.2	0	0	0	0	111	K412 D684 A688	K412-S686 VanDerWaalsContact NZ-CB 3.34Å; D684-S686 PolarHBondContact O-N 3.45Å; S686-A688 PolarHBondContact O-N 3.01Å
687	A	48.7	Very low	55.4	Low	17 Å²	17	74.8 Å²	74.8	14%	0.14	44%	0.435	C	S	.	.			trans	-73	39	-176.7	0	0	0	0	0	113.3	G689 I690	A687-G689 VanDerWaalsContact C-N 3.33Å; A687-G689 PolarHBondContact O-N 2.94Å; A687-I690 HydrophobicContact CB-CB 4.07Å; A687-I690 HydrophobicContact CB-CD1 3.94Å; A687-I690 HydrophobicContact CB-CG1 4.14Å; A687-I690 PolarHBondContact O-N 3.33Å
688	A	43.1	Very low	56.2	Low	89 Å²	89	70.9 Å²	70.9	74%	0.736	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	79.8	-173.8	0	0	0	0	0	111.9	S686	S686-A688 PolarHBondContact O-N 3.01Å
689	G	47.4	Very low	57.1	Low	72 Å²	72	70.1 Å²	70.1	74%	0.742	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	141	-16.7	-176.8	0	0	0	0	0	112.7	A687	A687-G689 VanDerWaalsContact C-N 3.33Å; A687-G689 PolarHBondContact O-N 2.94Å
690	I	52.2	Low	58.6	Low	49 Å²	49	63.4 Å²	63.4	25%	0.251	38%	0.382	S	S	.	.			trans	-72.3	134.6	-179.4	-63.5	-170.3	0	0	0	110.8	F376 I379 A687 D692	F376-I690 HydrophobicContact CB-CD1 4.39Å; F376-I690 HydrophobicContact CD2-CD1 3.55Å; F376-I690 HydrophobicContact CE2-CD1 4.24Å; F376-I690 HydrophobicContact CG-CD1 4.33Å; I379-I690 HydrophobicContact CB-CG2 4.28Å; I379-I690 HydrophobicContact CD1-CG2 3.27Å; I379-I690 HydrophobicContact CG1-CG2 4.33Å; I379-I690 HydrophobicContact CG2-CG2 4.1Å; A687-I690 HydrophobicContact CB-CB 4.07Å; A687-I690 HydrophobicContact CB-CD1 3.94Å; A687-I690 HydrophobicContact CB-CG1 4.14Å; A687-I690 PolarHBondContact O-N 3.33Å; I690-D692 PolarHBondContact O-N 2.97Å
691	V	54	Low	60	Low	56 Å²	56	58.6 Å²	58.6	34%	0.339	36%	0.355	S	S	.	.			trans	-73.4	89.2	-173.5	-173.6	0	0	0	0	110.9	E501 H693 A694	E501-V691 VanDerWaalsContact OE1-CG2 3.32Å; E501-V691 WeakPolarHBondContact OE1-CG2 3.41Å; V691-H693 HydrophobicContact CG1-CB 3.98Å; V691-H693 WeakPolarHBondContact CG1-CD2 3.35Å; V691-H693 PolarHBondContact O-N 3.03Å; V691-A694 PolarHBondContact O-N 2.8Å
692	D	58.2	Low	61.3	Low	50 Å²	50	55.8 Å²	55.8	27%	0.267	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-56.8	-10.1	-179.6	-147.9	10.4	0	0	0	114	R269 K375 I690 A694 F695	R269-D692 IonicContact CZ-OD2 3.99Å; R269-D692 IonicContact NH1-OD2 3.23Å; R269-D692 PolarHBondContact NH1-OD2 2.79Å; K375-D692 IonicContact NZ-OD1 2.73Å; K375-D692 PolarHBondContact NZ-OD1 3.4Å; I690-D692 PolarHBondContact O-N 2.97Å; D692-A694 VanDerWaalsContact C-N 3.27Å; D692-A694 PolarHBondContact O-N 2.87Å; D692-F695 PolarHBondContact O-N 3.48Å
693	H	66.7	Low	62.5	Low	33 Å²	33	52.1 Å²	52.1	15%	0.153	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.4	-27.9	177.1	-51.8	-46.4	0	0	0	113.4	C271 A275 V691 F695 Y696	C271-H693 PolarHBondContact SG-CE1 2.88Å; A275-H693 HydrophobicContact CB-CB 3.8Å; A275-H693 WeakPolarHBondContact CB-CD2 3.36Å; V691-H693 HydrophobicContact CG1-CB 3.98Å; V691-H693 WeakPolarHBondContact CG1-CD2 3.35Å; V691-H693 PolarHBondContact O-N 3.03Å; H693-F695 PolarHBondContact O-N 3.44Å; H693-F695 VanDerWaalsContact O-N 3.17Å; H693-Y696 WeakPolarHBondContact O-CB 3.48Å; H693-Y696 PolarHBondContact O-N 3.41Å; H693-Y696 VanDerWaalsContact O-N 3.12Å
694	A	67.3	Low	63.4	Low	19 Å²	19	55.1 Å²	55.1	16%	0.157	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-60	-26.2	176.3	0	0	0	0	0	113	I379 A384 Y499 V691 D692	I379-A694 HydrophobicContact CD1-CB 4.31Å; A384-A694 HydrophobicContact CB-CB 4.07Å; Y499-A694 HydrophobicContact CD1-CB 4.16Å; V691-A694 PolarHBondContact O-N 2.8Å; D692-A694 VanDerWaalsContact C-N 3.27Å; D692-A694 PolarHBondContact O-N 2.87Å
695	F	75.2	Confident	64.3	Low	8 Å²	8	48.8 Å²	48.8	4%	0.035	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-109.6	17.5	179.6	-51.8	-54.1	0	0	0	113	K375 V378 I379 A384 Q410 L415 D692 H693 E697 F698	K375-F695 HydrophobicContact CB-CD2 4.48Å; K375-F695 HydrophobicContact CB-CE2 3.88Å; K375-F695 HydrophobicContact CD-CD2 3.96Å; K375-F695 HydrophobicContact CD-CE2 4.2Å; K375-F695 HydrophobicContact CG-CD2 3.89Å; K375-F695 HydrophobicContact CG-CE2 3.7Å; V378-F695 HydrophobicContact CB-CZ 4.11Å; V378-F695 HydrophobicContact CG1-CE1 3.91Å; V378-F695 HydrophobicContact CG1-CZ 3.68Å; I379-F695 HydrophobicContact CD1-CD2 4.29Å; I379-F695 HydrophobicContact CD1-CE2 3.42Å; I379-F695 VanDerWaalsContact CD1-CE2 3.42Å; I379-F695 HydrophobicContact CD1-CZ 3.84Å; I379-F695 HydrophobicContact CG1-CE2 3.87Å; I379-F695 HydrophobicContact CG1-CZ 3.76Å; A384-F695 HydrophobicContact CB-CE1 4.08Å; A384-F695 HydrophobicContact CB-CZ 4.46Å; Q410-F695 PolarHBondContact NE2-O 2.8Å; L415-F695 HydrophobicContact CD1-CD1 3.65Å; L415-F695 HydrophobicContact CD1-CD2 4.4Å; L415-F695 HydrophobicContact CD1-CE1 3.56Å; L415-F695 HydrophobicContact CD1-CE2 4.29Å; L415-F695 HydrophobicContact CD1-CG 4.09Å; L415-F695 HydrophobicContact CD1-CZ 3.88Å; L415-F695 HydrophobicContact CD2-CB 4.07Å; L415-F695 HydrophobicContact CD2-CD1 4.23Å; L415-F695 HydrophobicContact CD2-CD2 4.17Å; L415-F695 HydrophobicContact CD2-CG 3.88Å; D692-F695 PolarHBondContact O-N 3.48Å; H693-F695 PolarHBondContact O-N 3.44Å; H693-F695 VanDerWaalsContact O-N 3.17Å; F695-E697 PolarHBondContact O-N 2.68Å; F695-F698 HydrophobicContact CB-CB 4.25Å; F695-F698 VanDerWaalsContact O-CB 3.29Å; F695-F698 WeakPolarHBondContact O-CB 3.49Å; F695-F698 PolarHBondContact O-N 3.03Å
696	Y	67.9	Low	64.5	Low	102 Å²	102	43.2 Å²	43.2	40%	0.4	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	133.6	172.2	-131.1	-69.4	0	0	0	109.6	Y279 H693 F698	Y279-Y696 AromaticContact CD2-CD1 3.22Å; Y279-Y696 HydrophobicContact CD2-CD1 3.22Å; Y279-Y696 HydrophobicContact CD2-CD2 4.34Å; Y279-Y696 AromaticContact CD2-CE1 3.24Å; Y279-Y696 HydrophobicContact CD2-CE1 3.24Å; Y279-Y696 HydrophobicContact CD2-CE2 4.34Å; Y279-Y696 AromaticContact CD2-CG 3.8Å; Y279-Y696 HydrophobicContact CD2-CG 3.8Å; Y279-Y696 AromaticContact CD2-CZ 3.8Å; Y279-Y696 AromaticContact CE2-CD1 3.44Å; Y279-Y696 HydrophobicContact CE2-CD1 3.44Å; Y279-Y696 VanDerWaalsContact CE2-CD1 3.44Å; Y279-Y696 AromaticContact CE2-CE1 3.04Å; Y279-Y696 HydrophobicContact CE2-CE1 3.04Å; Y279-Y696 HydrophobicContact CE2-CG 4.42Å; Y279-Y696 AromaticContact CE2-CZ 3.76Å; Y279-Y696 HydrophobicContact CG-CD1 4.18Å; Y279-Y696 HydrophobicContact CG-CE1 4.08Å; Y279-Y696 HydrophobicContact CG-CE2 4.48Å; Y279-Y696 HydrophobicContact CG-CG 4.42Å; Y279-Y696 AromaticContact CZ-CE1 3.75Å; H693-Y696 WeakPolarHBondContact O-CB 3.48Å; H693-Y696 PolarHBondContact O-N 3.41Å; H693-Y696 VanDerWaalsContact O-N 3.12Å; Y696-F698 VanDerWaalsContact C-N 3.28Å; Y696-F698 PolarHBondContact O-N 3.37Å
697	E	72	Confident	64.6	Low	33 Å²	33	44.4 Å²	44.4	15%	0.154	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	18.5	-172	-49.6	-166.2	124	0	0	117.3	Q282 H283 N286 R391 F695 T699	Q282-E697 WeakPolarHBondContact CG-OE2 3.38Å; H283-E697 IonicContact ND1-OE1 2.69Å; N286-E697 PolarHBondContact ND2-OE1 3.08Å; N286-E697 PolarHBondContact ND2-OE2 3.39Å; R391-E697 PolarHBondContact NH1-O 2.83Å; F695-E697 PolarHBondContact O-N 2.68Å; E697-T699 PolarHBondContact O-N 3.43Å
698	F	81.1	Confident	64.3	Low	7 Å²	7	45 Å²	45	3%	0.031	27%	0.265	C	S	.	.			trans	-55.1	-21.7	169.1	-174.8	-94.1	0	0	0	113.3	V387 R391 S408 F409 Q410 L415 F416 F417 F695 Y696 F700	V387-F698 HydrophobicContact CG1-CD2 4.48Å; V387-F698 HydrophobicContact CG1-CE2 3.86Å; R391-F698 HydrophobicContact CB-CE2 4.39Å; R391-F698 HydrophobicContact CG-CE2 4.49Å; S408-F698 PolarHBondContact OG-O 3.31Å; F409-F698 WeakPolarHBondContact O-CD1 3.2Å; F409-F698 WeakPolarHBondContact O-CE1 3.24Å; Q410-F698 HydrophobicContact CB-CD1 4.13Å; L415-F698 HydrophobicContact CB-CD1 4.4Å; L415-F698 HydrophobicContact CB-CE1 3.84Å; L415-F698 HydrophobicContact CB-CE2 4.27Å; L415-F698 HydrophobicContact CB-CZ 3.78Å; L415-F698 HydrophobicContact CD1-CD2 4.37Å; L415-F698 HydrophobicContact CD1-CE2 4.21Å; L415-F698 HydrophobicContact CD2-CD1 3.9Å; L415-F698 HydrophobicContact CD2-CD2 4.26Å; L415-F698 HydrophobicContact CD2-CE1 4.21Å; L415-F698 HydrophobicContact CD2-CG 3.94Å; F416-F698 WeakPolarHBondContact O-CE1 3.42Å; F417-F698 HydrophobicContact CD1-CZ 4.21Å; F417-F698 AromaticContact CD2-CZ 3.96Å; F417-F698 HydrophobicContact CD2-CZ 3.96Å; F417-F698 AromaticContact CE1-CE2 3.95Å; F417-F698 HydrophobicContact CE1-CE2 3.95Å; F417-F698 AromaticContact CE1-CZ 3.82Å; F417-F698 HydrophobicContact CE1-CZ 3.82Å; F417-F698 AromaticContact CE2-CE2 3.93Å; F417-F698 HydrophobicContact CE2-CE2 3.93Å; F417-F698 AromaticContact CE2-CZ 3.53Å; F417-F698 HydrophobicContact CE2-CZ 3.53Å; F417-F698 HydrophobicContact CG-CZ 4.29Å; F417-F698 AromaticContact CZ-CE2 3.49Å; F417-F698 HydrophobicContact CZ-CE2 3.49Å; F417-F698 VanDerWaalsContact CZ-CE2 3.49Å; F417-F698 AromaticContact CZ-CZ 3.48Å; F417-F698 HydrophobicContact CZ-CZ 3.48Å; F417-F698 VanDerWaalsContact CZ-CZ 3.48Å; F695-F698 HydrophobicContact CB-CB 4.25Å; F695-F698 VanDerWaalsContact O-CB 3.29Å; F695-F698 WeakPolarHBondContact O-CB 3.49Å; F695-F698 PolarHBondContact O-N 3.03Å; Y696-F698 VanDerWaalsContact C-N 3.28Å; Y696-F698 PolarHBondContact O-N 3.37Å; F698-F700 PolarHBondContact O-N 3.14Å
699	T	81.7	Confident	64.2	Low	72 Å²	72	48.7 Å²	48.7	44%	0.442	26%	0.261	S	S	.	.			trans	-74.3	117.7	-179	-49.7	0	0	0	0	113.6	S408 E697	S408-T699 CarbonylContact O-C 3.56Å; S408-T699 VanDerWaalsContact O-CA 3.25Å; S408-T699 WeakPolarHBondContact O-CA 3.35Å; E697-T699 PolarHBondContact O-N 3.43Å
700	F	82.4	Confident	63.8	Low	38 Å²	38	46.2 Å²	46.2	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.7	175	169.1	-98.9	0	0	0	111.5	L405 Y407 S408 F698 R702	L405-F700 HydrophobicContact CD2-CD1 3.89Å; L405-F700 HydrophobicContact CD2-CE1 4.29Å; L405-F700 HydrophobicContact CG-CD1 4.25Å; L405-F700 HydrophobicContact CG-CE1 4.43Å; Y407-F700 CarbonylContact C-O 3.59Å; Y407-F700 WeakPolarHBondContact CA-O 3.3Å; S408-F700 PolarHBondContact N-O 3.35Å; S408-F700 PolarHBondContact O-N 3.11Å; S408-F700 WeakPolarHBondContact OG-CB 3.49Å; S408-F700 PolarHBondContact OG-N 3.31Å; F698-F700 PolarHBondContact O-N 3.14Å; F700-R702 HydrophobicContact CE1-CB 3.89Å; F700-R702 HydrophobicContact CZ-CB 3.88Å; F700-R702 HydrophobicContact CZ-CG 4.26Å
701	R	80.7	Confident	63.5	Low	18 Å²	18	44.1 Å²	44.1	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133	166.3	-62.9	-172.2	179.8	-121.6	18.8	108.2	Y329 L332 Q335 M337 Y407	Y329-R701 WeakPolarHBondContact CE2-O 3.38Å; Y329-R701 PolarHBondContact OH-O 3.4Å; L332-R701 PolarHBondContact O-NE 3.12Å; L332-R701 VanDerWaalsContact O-NE 3.13Å; L332-R701 PolarHBondContact O-NH2 3.19Å; Q335-R701 PolarHBondContact O-NH2 3.4Å; M337-R701 HydrophobicContact SD-CG 4.26Å; Y407-R701 HydrophobicContact CD1-CB 4.14Å; Y407-R701 HydrophobicContact CD1-CG 3.99Å
702	R	79.2	Confident	63	Low	15 Å²	15	45 Å²	45	6%	0.057	23%	0.233	C	C	.	.			trans	-77	140.9	-179.9	-164.9	173.8	-72.7	-113.3	-2.9	111.9	L394 A397 D398 L405 Y406 F700 D705 S706	L394-R702 PolarHBondContact O-NH2 2.89Å; A397-R702 PolarHBondContact O-NH1 3.13Å; A397-R702 PolarHBondContact O-NH2 2.77Å; D398-R702 IonicContact OD1-CZ 3.86Å; D398-R702 IonicContact OD1-NH1 2.77Å; D398-R702 PolarHBondContact OD1-NH1 3.2Å; L405-R702 PolarHBondContact O-NE 3Å; L405-R702 PolarHBondContact O-NH2 2.76Å; Y406-R702 PolarHBondContact O-N 3.07Å; F700-R702 HydrophobicContact CE1-CB 3.89Å; F700-R702 HydrophobicContact CZ-CB 3.88Å; F700-R702 HydrophobicContact CZ-CG 4.26Å; R702-D705 WeakPolarHBondContact CD-OD2 3.5Å; R702-S706 PolarHBondContact O-OG 3.2Å
703	F	70.4	Confident	62.5	Low	23 Å²	23	44 Å²	44	10%	0.101	23%	0.228	C	C	.	.	S	Bend	trans	-63.3	-61.2	-174.5	-173	-96.8	0	0	0	113.2	K325 E326 Y329 D705 S706	K325-F703 HydrophobicContact CB-CZ 4.41Å; E326-F703 HydrophobicContact CG-CE2 4.39Å; E326-F703 HydrophobicContact CG-CZ 4.17Å; E326-F703 WeakPolarHBondContact OE1-CE2 3.3Å; E326-F703 VanDerWaalsContact OE1-CZ 3.31Å; E326-F703 WeakPolarHBondContact OE1-CZ 3.34Å; Y329-F703 AromaticContact CD1-CD2 3.4Å; Y329-F703 HydrophobicContact CD1-CD2 3.4Å; Y329-F703 AromaticContact CD1-CE2 3.72Å; Y329-F703 HydrophobicContact CD1-CE2 3.72Å; Y329-F703 HydrophobicContact CD2-CB 4.38Å; Y329-F703 AromaticContact CD2-CD2 3.76Å; Y329-F703 HydrophobicContact CD2-CD2 3.76Å; Y329-F703 HydrophobicContact CD2-CG 4.43Å; Y329-F703 AromaticContact CE1-CD2 3.69Å; Y329-F703 HydrophobicContact CE1-CD2 3.69Å; Y329-F703 HydrophobicContact CE1-CE2 4.37Å; Y329-F703 HydrophobicContact CE2-CB 4.12Å; Y329-F703 HydrophobicContact CE2-CD2 4.07Å; Y329-F703 AromaticContact CG-CD2 3.39Å; Y329-F703 HydrophobicContact CG-CD2 3.39Å; Y329-F703 AromaticContact CG-CE2 3.76Å; Y329-F703 HydrophobicContact CG-CE2 3.76Å; Y329-F703 HydrophobicContact CG-CG 4.43Å; F703-D705 VanDerWaalsContact C-N 3.32Å; F703-D705 PolarHBondContact O-N 3.47Å; F703-S706 PolarHBondContact O-N 3.29Å; F703-S706 PolarHBondContact O-OG 3.15Å
704	F	63.4	Low	61.4	Low	109 Å²	109	44.2 Å²	44.2	48%	0.478	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.4	-168.1	-67.8	-73.2	0	0	0	115.3	R297	R297-F704 HydrophobicContact CG-CZ 4.46Å
705	D	65.5	Low	60.2	Low	20 Å²	20	52.2 Å²	52.2	11%	0.107	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	14	-177.8	-54.5	-96.6	0	0	0	113	K404 Y406 R702 F703 D707	K404-D705 WeakPolarHBondContact CE-OD2 3.44Å; K404-D705 IonicContact NZ-OD1 2.64Å; K404-D705 PolarHBondContact NZ-OD1 3.06Å; K404-D705 IonicContact NZ-OD2 2.69Å; K404-D705 PolarHBondContact NZ-OD2 2.97Å; Y406-D705 HydrophobicContact CD1-CB 3.55Å; Y406-D705 HydrophobicContact CE1-CB 3.56Å; Y406-D705 WeakPolarHBondContact CE1-OD1 3.48Å; R702-D705 WeakPolarHBondContact CD-OD2 3.5Å; F703-D705 VanDerWaalsContact C-N 3.32Å; F703-D705 PolarHBondContact O-N 3.47Å; D705-D707 PolarHBondContact O-N 3.27Å
706	S	52.2	Low	58.3	Low	29 Å²	29	58.2 Å²	58.2	20%	0.203	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.3	178.6	-62.4	0	0	0	0	113.2	L332 R702 F703 G708	L332-S706 WeakPolarHBondContact CD2-OG 3.07Å; R702-S706 PolarHBondContact O-OG 3.2Å; F703-S706 PolarHBondContact O-N 3.29Å; F703-S706 PolarHBondContact O-OG 3.15Å; S706-G708 PolarHBondContact O-N 3.35Å; S706-G708 VanDerWaalsContact O-N 3.11Å
707	D	46.4	Very low	56.6	Low	74 Å²	74	58.2 Å²	58.2	40%	0.396	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	18.2	-168	-58.2	-20.3	0	0	0	113.9	K325 D705 Y709	K325-D707 IonicContact NZ-OD2 3.62Å; K325-D707 PolarHBondContact NZ-OD2 3.19Å; D705-D707 PolarHBondContact O-N 3.27Å; D707-Y709 HydrophobicContact CB-CD2 3.88Å; D707-Y709 HydrophobicContact CB-CE2 4.12Å; D707-Y709 VanDerWaalsContact O-CD2 3.3Å; D707-Y709 WeakPolarHBondContact O-CD2 3.38Å; D707-Y709 PolarHBondContact O-N 3.46Å
708	G	42.3	Very low	54.6	Low	28 Å²	28	62 Å²	62	29%	0.289	33%	0.33	S	S	.	.	S	Bend	trans	74.2	-13.4	174.2	0	0	0	0	0	116.4	S706 G710	S706-G708 PolarHBondContact O-N 3.35Å; S706-G708 VanDerWaalsContact O-N 3.11Å; G708-G710 VanDerWaalsContact C-N 3.34Å; G708-G710 PolarHBondContact O-N 2.95Å
709	Y	41.7	Very low	52.2	Low	167 Å²	167	67.3 Å²	67.3	66%	0.655	37%	0.366	S	S	*	.			trans	-68.3	86.8	172.3	-58.2	-71.9	0	0	0	111.2	D707	D707-Y709 HydrophobicContact CB-CD2 3.88Å; D707-Y709 HydrophobicContact CB-CE2 4.12Å; D707-Y709 VanDerWaalsContact O-CD2 3.3Å; D707-Y709 WeakPolarHBondContact O-CD2 3.38Å; D707-Y709 PolarHBondContact O-N 3.46Å
710	G	39.5	Very low	49.9	Very low	20 Å²	20	73.4 Å²	73.4	21%	0.206	39%	0.386	C	S	.	.			trans	-65.2	174.6	179.2	0	0	0	0	0	114.5	G708	G708-G710 VanDerWaalsContact C-N 3.34Å; G708-G710 PolarHBondContact O-N 2.95Å
711	C	44.8	Very low	47.6	Very low	6 Å²	6	81.3 Å²	81.3	4%	0.041	42%	0.42	C	S	.	.			trans	-1.4	97	173.6	-162.5	0	0	0	0	115.8	Y406 T713 L714	Y406-C711 PolarHBondContact OH-N 2.79Å; C711-T713 PolarHBondContact O-N 3.19Å; C711-T713 VanDerWaalsContact SG-CB 3.5Å; C711-T713 PolarHBondContact SG-OG1 3Å; C711-L714 HydrophobicContact CB-CD1 4.32Å; C711-L714 HydrophobicContact CB-CG 4.34Å; C711-L714 PolarHBondContact O-N 3.41Å
712	P	44.4	Very low	45.3	Very low	74 Å²	74	87.7 Å²	87.7	48%	0.481	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-53.1	-30.9	175.6	-26.8	35	0	0	0	113.1	L714 R715	P712-L714 PolarHBondContact O-N 3.34Å; P712-L714 VanDerWaalsContact O-N 3.14Å; P712-R715 WeakPolarHBondContact O-CB 3.26Å; P712-R715 WeakPolarHBondContact O-CG 3.25Å; P712-R715 PolarHBondContact O-N 3.29Å
713	T	47.6	Very low	43	Very low	28 Å²	28	94.2 Å²	94.2	17%	0.172	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-59.9	-16.5	178.1	-24.3	0	0	0	0	114	E420 D474 C711	E420-T713 PolarHBondContact OE2-OG1 3.36Å; D474-T713 HydrophobicContact CB-CG2 4.11Å; C711-T713 PolarHBondContact O-N 3.19Å; C711-T713 VanDerWaalsContact SG-CB 3.5Å; C711-T713 PolarHBondContact SG-OG1 3Å
714	L	43.7	Very low	41.2	Very low	39 Å²	39	99.8 Å²	99.8	20%	0.204	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-99.8	-2.9	175.2	-67.7	180	0	0	0	114.4	L367 A666 C711 P712 L716	L367-L714 HydrophobicContact CB-CD1 4.11Å; L367-L714 HydrophobicContact CD1-CD1 4.09Å; A666-L714 HydrophobicContact CB-CD1 4.45Å; A666-L714 HydrophobicContact CB-CD2 4.33Å; C711-L714 HydrophobicContact CB-CD1 4.32Å; C711-L714 HydrophobicContact CB-CG 4.34Å; C711-L714 PolarHBondContact O-N 3.41Å; P712-L714 PolarHBondContact O-N 3.34Å; P712-L714 VanDerWaalsContact O-N 3.14Å; L714-L716 PolarHBondContact O-N 2.69Å
715	R	43	Very low	39.6	Very low	186 Å²	186	99.3 Å²	99.3	70%	0.702	53%	0.532	S	S	*	.			trans	-60.4	107.1	174.9	-71.5	-174.5	179.1	-172.4	-0.9	110.1	P712 S717	P712-R715 WeakPolarHBondContact O-CB 3.26Å; P712-R715 WeakPolarHBondContact O-CG 3.25Å; P712-R715 PolarHBondContact O-N 3.29Å; R715-S717 PolarHBondContact O-N 2.77Å
716	L	34.6	Very low	37.9	Very low	135 Å²	135	106 Å²	106	71%	0.707	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-62.3	117.3	160.8	-74.5	157.5	0	0	0	107	L714	L714-L716 PolarHBondContact O-N 2.69Å
717	S	31.1	Very low	37	Very low	102 Å²	102	112.5 Å²	112.5	71%	0.713	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54.9	132.4	163.9	50.5	0	0	0	0	108.2	R715	R715-S717 PolarHBondContact O-N 2.77Å
718	P	30.5	Very low	36.2	Very low	111 Å²	111	115.2 Å²	115.2	72%	0.721	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53.3	142.9	176.5	-24.3	33.2	0	0	0	110.3	K720	P718-K720 PolarHBondContact O-N 3.48Å
719	P	31.2	Very low	35.8	Very low	119 Å²	119	122.4 Å²	122.4	77%	0.773	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-57.2	127.9	171.8	25.3	-32.8	0	0	0	108.2	K721	P719-K721 PolarHBondContact O-N 2.77Å
720	K	34.3	Very low	35.3	Very low	201 Å²	201	119.3 Å²	119.3	87%	0.874	65%	0.645	S	S	*	*			trans	-58.6	116	173.3	-69.8	-175.7	176.8	-174.6	0	107.2	P718 L722	P718-K720 PolarHBondContact O-N 3.48Å; K720-L722 PolarHBondContact O-N 3.04Å
721	K	32.2	Very low	35	Very low	203 Å²	203	126.7 Å²	126.7	88%	0.883	67%	0.674	S	S	*	*			trans	-55	126.2	169.2	-74.3	-175.1	175.1	-177.7	0	107.7	P719 D723	P719-K721 PolarHBondContact O-N 2.77Å; K721-D723 PolarHBondContact O-N 3.09Å
722	L	32.8	Very low	34.6	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	71%	0.709	S	S	*	*			trans	-66.1	125.8	171.1	-129.6	76.3	0	0	0	107.7	K720 N724	K720-L722 PolarHBondContact O-N 3.04Å; L722-N724 PolarHBondContact O-N 3.22Å
723	D	30.6	Very low	34.1	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	72%	0.717	S	S	*	*			trans	-82.5	81.7	-176.4	-165.2	10.6	0	0	0	110	K721 S725	K721-D723 PolarHBondContact O-N 3.09Å; D723-S725 VanDerWaalsContact C-N 3.29Å; D723-S725 PolarHBondContact O-N 2.77Å; D723-S725 VanDerWaalsContact O-N 3.1Å
724	N	32.7	Very low	33.6	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	75%	0.745	S	S	*	*			trans	-82.4	77.2	173.5	-87	0.7	0	0	0	110.2	L722 L726	L722-N724 PolarHBondContact O-N 3.22Å; N724-L726 PolarHBondContact O-N 2.98Å; N724-L726 VanDerWaalsContact O-N 3.12Å
725	S	30.1	Very low	33.1	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	77%	0.768	S	S	*	*			trans	-73.5	95	169.5	-171.9	0	0	0	0	110.5	D723	D723-S725 VanDerWaalsContact C-N 3.29Å; D723-S725 PolarHBondContact O-N 2.77Å; D723-S725 VanDerWaalsContact O-N 3.1Å
726	L	30.7	Very low	33	Very low	161 Å²	161	138.9 Å²	138.9	84%	0.843	77%	0.771	S	S	*	*			trans	-139.5	103.2	168.7	-93.9	163.7	0	0	0	109.3	N724	N724-L726 PolarHBondContact O-N 2.98Å; N724-L726 VanDerWaalsContact O-N 3.12Å
727	Q	32.3	Very low	33	Very low	165 Å²	165	137.8 Å²	137.8	77%	0.771	77%	0.766	S	S	*	*			trans	-71.7	139.5	172.6	-65.9	175.7	-20.4	0	0	110.1
728	P	29.6	Very low	33.3	Very low	130 Å²	130	140.7 Å²	140.7	84%	0.844	77%	0.768	S	S	*	*			trans	-82.1	117.8	169.7	31.7	-30.1	0	0	0	110
729	Q	34.6	Very low	33.5	Very low	179 Å²	179	140 Å²	140	84%	0.836	77%	0.766	S	S	*	*			trans	-113.9	140	157.5	-75.9	-168.9	-15.9	0	0	109.6
730	S	30.5	Very low	33.7	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	76%	0.762	S	S	*	*			trans	-74.5	145.5	-177.3	46.6	0	0	0	0	112.4
731	E	33.5	Very low	33.7	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	76%	0.758	S	S	*	*				172.2	134.2	108.9	-91.4	-179.8	169.1	0	0	114.2
732	V	37.5	Very low	34	Very low	128 Å²	128	129.9 Å²	129.9	78%	0.776	75%	0.749	S	S	*	*			trans	57.3	97.8	140.6	-170.3	0	0	0	0	121.4
733	A	34.1	Very low	34.1	Very low	77 Å²	77	127.4 Å²	127.4	64%	0.636	74%	0.744	S	S	*	*				62	150.5	122.2	0	0	0	0	0	125.1
734	D	35.6	Very low	34.3	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	74%	0.744	S	S	*	*			trans	76.1	138.8	155.4	-68.4	-33.8	0	0	0	121.5
735	T	34.8	Very low	34.4	Very low	110 Å²	110	124 Å²	124	68%	0.675	74%	0.742	S	S	*	*			cis	-167.6	151.3	-37.3	4.2	0	0	0	0	108.5
736	V	39.2	Very low	34.8	Very low	128 Å²	128	124.7 Å²	124.7	78%	0.776	75%	0.747	S	S	*	*			trans	65.9	141.4	148.4	170.4	0	0	0	0	118.2
737	D	34.8	Very low	35	Very low	113 Å²	113	122.3 Å²	122.3	60%	0.604	74%	0.743	S	S	*	*			cis	-164	167.6	-16.2	-122.3	-37.8	0	0	0	111.2
738	H	37	Very low	35.2	Very low	163 Å²	163	118.9 Å²	118.9	76%	0.755	74%	0.738	S	S	*	*			trans	50.1	155.7	145.2	-65	-4.3	0	0	0	122.5
739	S	35.4	Very low	35.5	Very low	96 Å²	96	124.4 Å²	124.4	67%	0.671	74%	0.742	S	S	*	*			cis	-172.6	157.1	-20.3	58	0	0	0	0	112.6
740	S	34.9	Very low	35.6	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	74%	0.739	S	S	*	*			trans	76.9	133.9	143.3	74.3	0	0	0	0	125.6
741	S	35.1	Very low	35.9	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	74%	0.74	S	S	*	*			trans	71.4	154	142.4	74.9	0	0	0	0	120.2
742	S	37.5	Very low	35.9	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	74%	0.735	S	S	*	*			cis	-167.9	145.3	-10.7	42	0	0	0	0	114.1
743	S	35.6	Very low	35.8	Very low	100 Å²	100	117.6 Å²	117.6	70%	0.699	73%	0.726	S	S	*	*				74.7	144.9	127.9	72	0	0	0	0	126.3
744	C	35.1	Very low	35.9	Very low	120 Å²	120	122.1 Å²	122.1	81%	0.811	73%	0.731	S	S	*	*			trans	76.6	151	149.9	-66.3	0	0	0	0	121.3
745	S	34.3	Very low	35.8	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	73%	0.729	S	S	*	*			cis	-178.7	153.7	-31.4	50.7	0	0	0	0	113.3
746	S	38	Very low	35.6	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	73%	0.733	S	S	*	*			trans	100.7	136.1	143.6	81.9	0	0	0	0	124.5
747	S	36.7	Very low	35	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	74%	0.736	S	S	*	*			trans	69.8	145.2	146.8	-165.7	0	0	0	0	121.4
748	S	36.2	Very low	34.6	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	75%	0.746	S	S	*	*			cis	-169.3	142.9	-31.4	54.8	0	0	0	0	108.1
749	R	34.5	Very low	34.1	Very low	246 Å²	246	127.6 Å²	127.6	93%	0.928	75%	0.746	S	S	*	*				172.2	163.9	93.6	-98.2	178.4	170.2	163.3	-2.6	111.1
750	A	36.8	Very low	33.6	Very low	94 Å²	94	129.5 Å²	129.5	78%	0.777	75%	0.748	S	S	*	*			trans	-53.5	163.8	-179.3	0	0	0	0	0	115.6
751	S	36.8	Very low	33.2	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	75%	0.753	S	S	*	*			cis	-162.6	179.6	12.7	15.2	0	0	0	0	108.5
752	D	35	Very low	32.8	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	76%	0.755	S	S	*	*			cis	-155.9	-170.5	14.5	-149.2	-103.2	0	0	0	113.8
753	N	35.6	Very low	32.5	Very low	111 Å²	111	129.8 Å²	129.8	59%	0.594	76%	0.755	S	S	*	*			trans	38.8	96.7	160	-86.8	-44.5	0	0	0	122.7
754	K	34.9	Very low	32.4	Very low	171 Å²	171	135.7 Å²	135.7	74%	0.743	79%	0.787	S	S	*	*				70.6	104.1	119.4	-71.1	177.9	-170.1	161	0	121.4
755	N	32.9	Very low	32.3	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	79%	0.786	S	S	*	*				97.7	88.6	122	-66.3	5.5	0	0	0	119.4
756	N	31.5	Very low	32.1	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	79%	0.79	S	S	*	*				71.6	79.1	127.3	-66.2	3.7	0	0	0	118.9
757	V	25.8	Very low	31.8	Very low	137 Å²	137	139.8 Å²	139.8	83%	0.83	79%	0.79	S	S	*	*			trans	-105.7	115.9	137.2	177.8	0	0	0	0	108.6
758	L	27.9	Very low	31.5	Very low	157 Å²	157	141.5 Å²	141.5	82%	0.822	79%	0.791	S	S	*	*			trans	-130.7	106.8	158.7	-114	97.5	0	0	0	106
759	R	26	Very low	31.2	Very low	202 Å²	202	144.5 Å²	144.5	76%	0.762	80%	0.8	S	S	*	*				73.1	109	82	-82	-167.2	161.7	164.5	-2.5	114.3
760	I	24.9	Very low	31	Very low	136 Å²	136	137.7 Å²	137.7	70%	0.697	79%	0.791	S	S	*	*				61.7	113.1	121.4	-57.6	164.9	0	0	0	116.6
761	S	27.2	Very low	30.6	Very low	117 Å²	117	140.9 Å²	140.9	82%	0.818	79%	0.792	S	S	*	*				-148.4	126.6	113	-159.5	0	0	0	0	111.5
762	T	25.5	Very low	30.1	Very low	133 Å²	133	143.5 Å²	143.5	82%	0.816	80%	0.796	S	S	*	*			trans	-77.3	145.6	163.1	44	0	0	0	0	109.7
763	G	31.2	Very low	29.7	Very low	67 Å²	67	144.5 Å²	144.5	69%	0.691	80%	0.803	S	S	*	*			trans	-166.6	96.6	174.5	0	0	0	0	0	112.4
764	T	33.5	Very low	29.2	Very low	224 Å²	224	147.5 Å²	147.5	100%	1.374	82%	0.822	S	S	*	*			trans	50.6	0	168.2	57.3	0	0	0	0	117.9

Retrieved 764 of 764 residues in 383.4 ms (Link to these results)

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