A0A087YNH4_POEFO Loading...

Cyclic nucleotide gated channel subunit alpha 2

AlphaFold DB , UniProt , Accession A0A087YNH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 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	33.8	Very low	33.2	Very low	236 Å²	236	154.8 Å²	154.8	100%	1.163	82%	0.815	S	S	*	*				0	146.6	0	-75.4	155.2	159.9	0	0	108.1
2	T	33.3	Very low	34.9	Very low	139 Å²	139	150.5 Å²	150.5	85%	0.853	80%	0.802	S	S	*	*			trans	-1	124.8	161.4	50.9	0	0	0	0	117.8
3	G	31.2	Very low	34.4	Very low	70 Å²	70	153.9 Å²	153.9	72%	0.722	81%	0.81	S	S	*	*			cis	97.9	112.2	-4.6	0	0	0	0	0	115.6
4	Q	31.2	Very low	34	Very low	196 Å²	196	152.6 Å²	152.6	92%	0.916	80%	0.804	S	S	*	*			trans	-167.2	152.5	157.9	-116.9	172.1	1.8	0	0	113.4
5	V	36.1	Very low	33.7	Very low	135 Å²	135	153.5 Å²	153.5	82%	0.818	81%	0.808	S	S	*	*			trans	-148.1	132.1	176	169.7	0	0	0	0	107.5
6	P	48.9	Very low	33.3	Very low	117 Å²	117	150.2 Å²	150.2	76%	0.76	80%	0.802	S	S	*	*				-136.7	156.2	115.4	16.3	5.8	0	0	0	112
7	E	32.9	Very low	32.9	Very low	146 Å²	146	149.4 Å²	149.4	68%	0.682	80%	0.803	S	S	*	*			cis	97.7	136.1	34.6	-154.8	-163.5	-105.4	0	0	113.6
8	R	32.6	Very low	33	Very low	205 Å²	205	151.3 Å²	151.3	77%	0.774	80%	0.803	S	S	*	*			trans	81.3	154	169.2	-50.5	-166.5	-171.8	-163.1	-2	117.8
9	D	27.9	Very low	32.7	Very low	133 Å²	133	149.5 Å²	149.5	71%	0.711	80%	0.799	S	S	*	*			cis	-149.1	-169.6	-9.7	-134.1	-52.4	0	0	0	113
10	R	30.1	Very low	32.7	Very low	223 Å²	223	148 Å²	148	84%	0.842	80%	0.795	S	S	*	*			trans	-87.5	141.2	-170.2	-63.6	169.7	171	170	-2.8	117.1
11	S	27.1	Very low	32.5	Very low	103 Å²	103	148 Å²	148	72%	0.72	79%	0.794	S	S	*	*			trans	8	169.2	137.4	68.4	0	0	0	0	122.8
12	P	53.3	Low	32.5	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	77%	0.774	S	S	*	*			cis	-137.2	-172.1	-38	38.8	-20.9	0	0	0	112.7
13	H	28.5	Very low	32.4	Very low	195 Å²	195	145.9 Å²	145.9	90%	0.903	77%	0.772	S	S	*	*			trans	-143.9	168.2	164.5	-100.4	-79.4	0	0	0	113.7
14	N	29.3	Very low	32.3	Very low	136 Å²	136	150 Å²	150	73%	0.727	77%	0.772	S	S	*	*			trans	-122.6	173.6	-157.3	-69	-40.7	0	0	0	115.2
15	L	30	Very low	32.5	Very low	165 Å²	165	147.2 Å²	147.2	86%	0.864	76%	0.762	S	S	*	*			trans	74.6	149.6	162.4	-64	141	0	0	0	115.3
16	S	26.1	Very low	32.2	Very low	101 Å²	101	149.2 Å²	149.2	71%	0.706	76%	0.763	S	S	*	*			cis	-147.2	-168.4	1.3	-144.7	0	0	0	0	108.3
17	V	27.1	Very low	31.1	Very low	137 Å²	137	152.7 Å²	152.7	83%	0.83	76%	0.761	S	S	*	*			cis	-141.1	-169.9	14.5	-161.4	0	0	0	0	108.8
18	K	34.5	Very low	30.9	Very low	184 Å²	184	149.1 Å²	149.1	80%	0.8	76%	0.756	S	S	*	*			trans	-129.4	134.9	169.5	-130.9	-163.5	-175.2	-161.9	0	111.2
19	T	28.2	Very low	30.8	Very low	117 Å²	117	148.5 Å²	148.5	72%	0.718	76%	0.762	S	S	*	*			trans	-151.6	98.2	160	49.2	0	0	0	0	108.9
20	T	31.6	Very low	30.7	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.724	75%	0.751	S	S	*	*				53.9	60.3	82.8	69.7	0	0	0	0	114.1
21	L	29.5	Very low	30.6	Very low	148 Å²	148	142.6 Å²	142.6	78%	0.775	75%	0.745	S	S	*	*			trans	-149.2	14.8	167.7	-133.6	150.2	0	0	0	113
22	E	32.7	Very low	30.9	Very low	160 Å²	160	143.9 Å²	143.9	75%	0.748	74%	0.743	S	S	*	*			trans	-100.6	-17.9	-168.1	-65.5	168.1	126.1	0	0	113.7	E24	E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 PolarHBondContact O-N 3.48Å; E22-E24 VanDerWaalsContact O-N 3.16Å
23	E	32	Very low	29.7	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-0.2	-169.7	-63.5	-178	144.9	0	0	115.7	R27	E23-R27 PolarHBondContact O-NH2 3.43Å
24	E	29.9	Very low	29.8	Very low	156 Å²	156	138 Å²	138	73%	0.729	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-16.9	-179.8	-65.4	-144.6	105.4	0	0	115.2	E22	E22-E24 VanDerWaalsContact C-N 3.27Å; E22-E24 PolarHBondContact O-N 3.48Å; E22-E24 VanDerWaalsContact O-N 3.16Å
25	I	34.2	Very low	30.2	Very low	137 Å²	137	137.1 Å²	137.1	70%	0.703	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-91.1	-18	-172.1	-59.6	179.9	0	0	0	112.7	R27	I25-R27 PolarHBondContact O-N 2.89Å
26	E	30.2	Very low	30.3	Very low	177 Å²	177	134.5 Å²	134.5	83%	0.827	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-60.9	-7.8	176.5	-67.5	-164.9	130.6	0	0	115.3
27	R	26.6	Very low	30.2	Very low	190 Å²	190	132.4 Å²	132.4	72%	0.717	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-92.6	5	-169.3	-143.8	168.2	-64.9	111.3	6	114.8	E23 I25	E23-R27 PolarHBondContact O-NH2 3.43Å; I25-R27 PolarHBondContact O-N 2.89Å
28	A	28.7	Very low	30.2	Very low	72 Å²	72	132.6 Å²	132.6	60%	0.595	69%	0.692	S	S	*	*	S	Bend	trans	-129.1	151	177	0	0	0	0	0	112.1	S30	A28-S30 PolarHBondContact O-N 3.27Å
29	E	29	Very low	29.9	Very low	192 Å²	192	127.8 Å²	127.8	90%	0.897	68%	0.681	S	S	*	*			trans	66.8	19.3	167.1	-52.6	-166.4	167.4	0	0	118.6	K31	E29-K31 VanDerWaalsContact C-N 3.32Å; E29-K31 PolarHBondContact O-N 3.06Å; E29-K31 VanDerWaalsContact O-N 3.1Å
30	S	26.3	Very low	29.8	Very low	68 Å²	68	128.7 Å²	128.7	48%	0.476	68%	0.681	S	S	.	*			trans	-78.1	80.8	152	70	0	0	0	0	111.4	A28 N436	A28-S30 PolarHBondContact O-N 3.27Å; S30-N436 PolarHBondContact OG-OD1 3.23Å
31	K	27.7	Very low	29.5	Very low	163 Å²	163	131 Å²	131	71%	0.709	69%	0.689	S	S	*	*			trans	179	131.3	160	-96.3	140.5	-163.3	172.9	0	109	E29	E29-K31 VanDerWaalsContact C-N 3.32Å; E29-K31 PolarHBondContact O-N 3.06Å; E29-K31 VanDerWaalsContact O-N 3.1Å
32	L	33	Very low	29.3	Very low	131 Å²	131	129.4 Å²	129.4	69%	0.686	69%	0.685	S	S	*	*			cis	-142.2	149.9	0.6	-163.7	73.5	0	0	0	110.2	L437	L32-L437 HydrophobicContact CD1-CD2 4.34Å
33	S	28.5	Very low	29	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	69%	0.691	S	S	*	*			trans	-65.1	163.6	173.6	49.1	0	0	0	0	112.8
34	R	29.8	Very low	28.8	Very low	83 Å²	83	124.3 Å²	124.3	31%	0.313	69%	0.687	S	S	.	*			trans	-93.3	160.7	156.8	-128.9	-165.8	-79.2	8.9	-9.9	110.7	E269 T270 R271 T272 N273	R34-E269 VanDerWaalsContact NH2-C 3.31Å; R34-E269 PolarHBondContact NH2-O 2.89Å; R34-T270 PolarHBondContact NH1-O 2.99Å; R34-T270 VanDerWaalsContact NH1-O 3.11Å; R34-R271 PolarHBondContact NE-O 3.17Å; R34-T272 VanDerWaalsContact NE-C 3.3Å; R34-T272 PolarHBondContact NE-O 3.49Å; R34-T272 PolarHBondContact NH2-O 3.06Å; R34-N273 WeakPolarHBondContact CD-OD1 3.44Å
35	V	37.8	Very low	28.7	Very low	117 Å²	117	125.1 Å²	125.1	71%	0.709	69%	0.691	S	S	*	*			trans	-113.6	145.4	174.8	173.7	0	0	0	0	108.1	N273	V35-N273 PolarHBondContact O-OD1 2.9Å
36	P	33	Very low	28.3	Very low	110 Å²	110	126.3 Å²	126.3	71%	0.714	70%	0.697	S	S	*	*			trans	-101.2	-174.5	-149.1	39.8	-37.5	0	0	0	115.8
37	S	24.5	Very low	28.1	Very low	57 Å²	57	126.2 Å²	126.2	40%	0.399	70%	0.697	S	S	.	*			trans	-88	161.3	176.9	-158.8	0	0	0	0	112.5	N273	S37-N273 PolarHBondContact N-ND2 3.46Å
38	V	25.6	Very low	28.2	Very low	141 Å²	141	128 Å²	128	86%	0.855	70%	0.704	S	S	*	*			trans	-125.7	126.7	155.5	176.7	0	0	0	0	108.5
39	C	28.6	Very low	28.2	Very low	82 Å²	82	131.1 Å²	131.1	55%	0.554	72%	0.715	S	S	*	*			trans	-120.2	173.7	162.5	-45.1	0	0	0	0	106.1
40	D	27.3	Very low	28	Very low	137 Å²	137	126.4 Å²	126.4	73%	0.733	71%	0.709	S	S	*	*			cis	-142.4	169.1	10.1	-87.4	-68.4	0	0	0	108.8
41	D	24	Very low	28	Very low	167 Å²	167	127.5 Å²	127.5	89%	0.893	72%	0.722	S	S	*	*				-165.4	138.5	123.2	-110.5	-24.9	0	0	0	110.6
42	T	26.6	Very low	28	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	73%	0.731	S	S	*	*			trans	-134.2	138.1	-173.7	56.8	0	0	0	0	113.2
43	S	26.6	Very low	27.9	Very low	122 Å²	122	128.9 Å²	128.9	85%	0.853	74%	0.737	S	S	*	*			trans	67.4	151	-179.6	84.9	0	0	0	0	113.8
44	S	27	Very low	28.7	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	74%	0.741	S	S	*	*			cis	-151.9	157.5	12.1	49.1	0	0	0	0	110.8
45	E	27.6	Very low	28.6	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	77%	0.768	S	S	*	*			trans	168.4	100.9	151.1	-99.4	-66.2	111	0	0	107.4
46	L	26.3	Very low	28.1	Very low	161 Å²	161	131.1 Å²	131.1	84%	0.843	77%	0.765	S	S	*	*			trans	-123.4	138.9	168.1	-145	172.8	0	0	0	105.8
47	Q	26.9	Very low	27.9	Very low	175 Å²	175	137.4 Å²	137.4	82%	0.818	77%	0.774	S	S	*	*			trans	85.7	81.3	163.6	-159.8	175.2	9	0	0	118.2
48	R	28.6	Very low	27.9	Very low	229 Å²	229	139.4 Å²	139.4	86%	0.864	79%	0.789	S	S	*	*			trans	-136.9	108.5	146.4	-97	-176.5	-169.3	179.6	7.1	114.8
49	V	27.3	Very low	28	Very low	137 Å²	137	138.1 Å²	138.1	83%	0.83	79%	0.786	S	S	*	*			trans	59.6	119.1	138.7	-174	0	0	0	0	120.1
50	A	25.4	Very low	28.1	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	80%	0.804	S	S	*	*			trans	-44.5	160.5	166.4	0	0	0	0	0	115.9
51	A	26.8	Very low	28.2	Very low	92 Å²	92	144.7 Å²	144.7	76%	0.76	81%	0.809	S	S	*	*				-169.2	175.2	78.5	0	0	0	0	0	114.8
52	L	27.6	Very low	28.4	Very low	171 Å²	171	141.6 Å²	141.6	90%	0.895	80%	0.8	S	S	*	*			trans	96.4	76.2	167.9	-57.6	172.5	0	0	0	118.7
53	D	31.2	Very low	28.5	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	81%	0.806	S	S	*	*			trans	-70	175.3	134.6	-102.3	-38.5	0	0	0	110.4
54	P	44.9	Very low	28.7	Very low	112 Å²	112	146.5 Å²	146.5	73%	0.727	80%	0.799	S	S	*	*			cis	-139	172.1	18.4	43.2	-26.7	0	0	0	117.4
55	D	27.7	Very low	29.2	Very low	165 Å²	165	153 Å²	153	88%	0.882	81%	0.808	S	S	*	*				-167.4	165.4	119.7	-136.2	-26.6	0	0	0	113.9
56	G	27.1	Very low	29.7	Very low	63 Å²	63	150.6 Å²	150.6	65%	0.649	80%	0.8	S	S	*	*			trans	108.7	22.8	141.9	0	0	0	0	0	124.9
57	R	27.9	Very low	30.5	Very low	241 Å²	241	144.9 Å²	144.9	91%	0.909	78%	0.78	S	S	*	*			trans	42.3	113.3	152.2	-74.6	-175.3	176.3	173.8	-0.1	123.3
58	S	25.9	Very low	31.5	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	77%	0.772	S	S	*	*				60.4	124.1	125.6	68.3	0	0	0	0	125.1
59	S	28	Very low	32.5	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	76%	0.761	S	S	*	*			trans	67.5	116.3	135.7	-53.7	0	0	0	0	122
60	E	29.3	Very low	33.4	Very low	202 Å²	202	131.2 Å²	131.2	94%	0.944	74%	0.74	S	S	*	*				-171.5	168.3	92.1	-99.1	-165.7	148.2	0	0	111.6
61	D	30.9	Very low	35	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	74%	0.739	S	S	*	*			trans	-116.2	128.1	-173.4	-143.2	-19	0	0	0	110.9
62	S	27.4	Very low	36	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	73%	0.73	S	S	*	*			trans	157.8	140.3	144.3	54.2	0	0	0	0	114.4
63	F	28.2	Very low	37.5	Very low	187 Å²	187	132.9 Å²	132.9	82%	0.82	71%	0.711	S	S	*	*			trans	62.2	158.9	165.5	-86.4	-142.3	0	0	0	115.5
64	Q	31.7	Very low	38.6	Very low	152 Å²	152	132 Å²	132	71%	0.71	70%	0.7	S	S	*	*			cis	-142.3	166.5	-3.2	-144.4	169.1	20.8	0	0	111.9	N66	Q64-N66 PolarHBondContact O-N 2.99Å
65	R	36.4	Very low	39.1	Very low	241 Å²	241	131.5 Å²	131.5	91%	0.909	69%	0.691	S	S	*	*	S	Bend	trans	-54.3	71.2	-175.6	-168	-179.3	71.9	179.5	3.4	116.4
66	N	38.9	Very low	40.7	Very low	121 Å²	121	127.6 Å²	127.6	65%	0.647	67%	0.673	S	S	*	*			trans	-133	-8.7	176	-94.6	-32.8	0	0	0	116.4	Q64 A68	Q64-N66 PolarHBondContact O-N 2.99Å; N66-A68 PolarHBondContact O-N 3.42Å
67	G	42.4	Very low	42.6	Very low	41 Å²	41	127.6 Å²	127.6	42%	0.423	66%	0.66	S	S	.	*	H	α-helix	trans	-64	-33.9	-171.7	0	0	0	0	0	116	R71	G67-R71 VanDerWaalsContact O-CG 3.31Å; G67-R71 WeakPolarHBondContact O-CG 3.39Å; G67-R71 PolarHBondContact O-N 3.47Å; G67-R71 VanDerWaalsContact O-N 3.1Å
68	A	48.4	Very low	44.2	Very low	78 Å²	78	124.7 Å²	124.7	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-67	-45.5	-174.3	0	0	0	0	0	113	N66 R71 L72	N66-A68 PolarHBondContact O-N 3.42Å; A68-R71 PolarHBondContact O-N 2.96Å; A68-L72 PolarHBondContact O-N 3.24Å
69	I	49.7	Very low	45.3	Very low	121 Å²	121	124.4 Å²	124.4	62%	0.621	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-40.3	179.7	-60.2	172.8	0	0	0	110.1	R71 L72 V73	I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.32Å; I69-L72 PolarHBondContact O-N 3.19Å; I69-V73 HydrophobicContact CG2-CG2 4.22Å; I69-V73 WeakPolarHBondContact O-CB 3.32Å; I69-V73 WeakPolarHBondContact O-CG2 3.34Å; I69-V73 PolarHBondContact O-N 3.39Å
70	S	46.7	Very low	46.8	Very low	56 Å²	56	128 Å²	128	39%	0.392	64%	0.636	S	S	.	*	H	α-helix	trans	-59.9	-41	174.3	-170.8	0	0	0	0	112.4	K74	S70-K74 WeakPolarHBondContact O-CB 3.45Å; S70-K74 VanDerWaalsContact O-CG 3.25Å; S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 3.48Å
71	R	57.6	Low	48	Very low	197 Å²	197	124 Å²	124	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-66	-42.2	174.8	-68.9	170.7	-166.8	-169	3.9	112	G67 A68 I69 K74 L75	G67-R71 VanDerWaalsContact O-CG 3.31Å; G67-R71 WeakPolarHBondContact O-CG 3.39Å; G67-R71 PolarHBondContact O-N 3.47Å; G67-R71 VanDerWaalsContact O-N 3.1Å; A68-R71 PolarHBondContact O-N 2.96Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.32Å; R71-K74 PolarHBondContact O-N 3.4Å; R71-L75 WeakPolarHBondContact O-CB 3.44Å; R71-L75 PolarHBondContact O-N 3.44Å
72	L	48.3	Very low	49.3	Very low	111 Å²	111	124 Å²	124	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-70.6	-39	-179.3	-162.3	149.9	0	0	0	112	A68 I69 L75 V76	A68-L72 PolarHBondContact O-N 3.24Å; I69-L72 PolarHBondContact O-N 3.19Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.3Å; L72-V76 HydrophobicContact CD2-CG2 4.15Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.49Å
73	V	59.4	Low	50	Low	81 Å²	81	121.1 Å²	121.1	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-63	-43.3	170.5	171.2	0	0	0	0	110.9	I69 L75 V76 V77	I69-V73 HydrophobicContact CG2-CG2 4.22Å; I69-V73 WeakPolarHBondContact O-CB 3.32Å; I69-V73 WeakPolarHBondContact O-CG2 3.34Å; I69-V73 PolarHBondContact O-N 3.39Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 2.99Å; V73-V76 PolarHBondContact O-N 3.12Å; V73-V77 HydrophobicContact CG1-CG2 4.42Å; V73-V77 WeakPolarHBondContact O-CG2 3.29Å; V73-V77 PolarHBondContact O-N 3.03Å
74	K	54.9	Low	50.8	Low	132 Å²	132	118.5 Å²	118.5	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-33.7	174	-74.3	173.4	-178	-177.4	0	112.6	S70 R71 R78	S70-K74 WeakPolarHBondContact O-CB 3.45Å; S70-K74 VanDerWaalsContact O-CG 3.25Å; S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 3.48Å; R71-K74 PolarHBondContact O-N 3.4Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.32Å; K74-R78 PolarHBondContact O-N 3.06Å
75	L	54.4	Low	51.2	Low	103 Å²	103	120.5 Å²	120.5	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-66.3	-46.2	172.5	-170.8	74.8	0	0	0	111.3	R71 L72 V73 R78 L79	R71-L75 WeakPolarHBondContact O-CB 3.44Å; R71-L75 PolarHBondContact O-N 3.44Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 2.99Å; L75-R78 PolarHBondContact O-N 3.23Å; L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.13Å
76	V	61.3	Low	51.4	Low	83 Å²	83	112.1 Å²	112.1	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-64.9	-37.7	177.3	170.2	0	0	0	0	111.9	L72 V73 L79 R80	L72-V76 HydrophobicContact CD2-CG2 4.15Å; L72-V76 WeakPolarHBondContact O-CG2 3.48Å; L72-V76 PolarHBondContact O-N 3.49Å; V73-V76 PolarHBondContact O-N 3.12Å; V76-L79 PolarHBondContact O-N 3.37Å; V76-R80 WeakPolarHBondContact O-CB 3.37Å; V76-R80 PolarHBondContact O-N 3.15Å
77	V	66.9	Low	51.6	Low	62 Å²	62	113.5 Å²	113.5	38%	0.376	56%	0.563	S	S	.	*	H	α-helix	trans	-65.7	-46.5	173.3	171.4	0	0	0	0	110.8	V73 L79 R80 E81	V73-V77 HydrophobicContact CG1-CG2 4.42Å; V73-V77 WeakPolarHBondContact O-CG2 3.29Å; V73-V77 PolarHBondContact O-N 3.03Å; V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.93Å; V77-R80 CarbonylContact O-C 3.52Å; V77-R80 WeakPolarHBondContact O-CB 3.5Å; V77-R80 PolarHBondContact O-N 3.01Å; V77-R80 VanDerWaalsContact O-N 3.15Å; V77-E81 HydrophobicContact CG1-CG 4.49Å; V77-E81 WeakPolarHBondContact O-CG 3.28Å; V77-E81 PolarHBondContact O-N 2.75Å
78	R	61.1	Low	51.6	Low	180 Å²	180	116.5 Å²	116.5	68%	0.679	57%	0.573	S	S	*	*	H	α-helix	trans	-61.5	-38.6	174.1	-75	179.3	-173.6	-176.9	1.6	112.9	K74 L75 R80 E81 W82	K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.32Å; K74-R78 PolarHBondContact O-N 3.06Å; L75-R78 PolarHBondContact O-N 3.23Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R78-E81 PolarHBondContact O-N 3.24Å; R78-W82 WeakPolarHBondContact O-CB 3.35Å; R78-W82 PolarHBondContact O-N 3.35Å
79	L	49.1	Very low	51.2	Low	95 Å²	95	121 Å²	121	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-65.9	-37.6	174.9	-78.4	166.1	0	0	0	111.5	L75 V76 V77 A83	L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.13Å; V76-L79 PolarHBondContact O-N 3.37Å; V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.93Å; L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.96Å
80	R	59.7	Low	50.4	Low	189 Å²	189	124.5 Å²	124.5	71%	0.713	60%	0.595	S	S	*	*	H	α-helix	trans	-66.2	-42.6	172.5	170.4	-179.6	161	-165.9	-8.2	112	V76 V77 R78 H84	V76-R80 WeakPolarHBondContact O-CB 3.37Å; V76-R80 PolarHBondContact O-N 3.15Å; V77-R80 CarbonylContact O-C 3.52Å; V77-R80 WeakPolarHBondContact O-CB 3.5Å; V77-R80 PolarHBondContact O-N 3.01Å; V77-R80 VanDerWaalsContact O-N 3.15Å; R78-R80 VanDerWaalsContact C-N 3.34Å; R80-H84 VanDerWaalsContact O-CB 3.3Å; R80-H84 WeakPolarHBondContact O-CB 3.41Å; R80-H84 PolarHBondContact O-N 3.28Å
81	E	53.9	Low	49.8	Very low	117 Å²	117	130.7 Å²	130.7	55%	0.547	62%	0.617	S	S	.	*	H	α-helix	trans	-69.4	-39.6	176.9	-70.9	174.1	138.2	0	0	111.8	V77 R78 H84 R85	V77-E81 HydrophobicContact CG1-CG 4.49Å; V77-E81 WeakPolarHBondContact O-CG 3.28Å; V77-E81 PolarHBondContact O-N 2.75Å; R78-E81 PolarHBondContact O-N 3.24Å; E81-H84 CarbonylContact O-C 3.59Å; E81-H84 PolarHBondContact O-N 2.84Å; E81-R85 PolarHBondContact O-N 3.05Å
82	W	59.3	Low	48.8	Very low	157 Å²	157	130.2 Å²	130.2	60%	0.595	62%	0.623	S	S	*	*	H	α-helix	trans	-63	-45.4	172.8	178.4	84.1	0	0	0	111.6	R78 H84 R85 S86	R78-W82 WeakPolarHBondContact O-CB 3.35Å; R78-W82 PolarHBondContact O-N 3.35Å; W82-H84 VanDerWaalsContact C-N 3.26Å; W82-H84 PolarHBondContact O-N 3.21Å; W82-R85 PolarHBondContact O-N 3.43Å; W82-S86 PolarHBondContact O-N 2.99Å; W82-S86 PolarHBondContact O-OG 2.82Å
83	A	42.5	Very low	48.1	Very low	39 Å²	39	135.9 Å²	135.9	32%	0.322	64%	0.637	S	S	.	*	H	α-helix	trans	-64.5	-29.1	173.4	0	0	0	0	0	112.7	L79 S86 L87	L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.96Å; A83-S86 WeakPolarHBondContact CA-OG 3.5Å; A83-L87 VanDerWaalsContact O-CD1 3.31Å; A83-L87 WeakPolarHBondContact O-CD1 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.45Å
84	H	43.3	Very low	46.9	Very low	133 Å²	133	136.1 Å²	136.1	62%	0.616	64%	0.641	S	S	*	*	H	α-helix	trans	-82.1	-20.7	176.6	-154.2	-49.5	0	0	0	113	R80 E81 W82 V88	R80-H84 VanDerWaalsContact O-CB 3.3Å; R80-H84 WeakPolarHBondContact O-CB 3.41Å; R80-H84 PolarHBondContact O-N 3.28Å; E81-H84 CarbonylContact O-C 3.59Å; E81-H84 PolarHBondContact O-N 2.84Å; W82-H84 VanDerWaalsContact C-N 3.26Å; W82-H84 PolarHBondContact O-N 3.21Å; H84-V88 WeakPolarHBondContact O-CG2 3.33Å
85	R	41.8	Very low	46.1	Very low	193 Å²	193	135.1 Å²	135.1	73%	0.728	64%	0.641	S	S	*	*	H	α-helix	trans	-81.8	-44.1	168.6	-76.8	-171.3	174.8	-163.5	-2.2	112.2	E81 W82 L87 V88	E81-R85 PolarHBondContact O-N 3.05Å; W82-R85 PolarHBondContact O-N 3.43Å; R85-L87 PolarHBondContact O-N 2.91Å; R85-V88 PolarHBondContact O-N 3.38Å
86	S	40.6	Very low	45.8	Very low	66 Å²	66	134.5 Å²	134.5	46%	0.462	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	7	177.3	60.1	0	0	0	0	114.8	W82 A83	W82-S86 PolarHBondContact O-N 2.99Å; W82-S86 PolarHBondContact O-OG 2.82Å; A83-S86 WeakPolarHBondContact CA-OG 3.5Å
87	L	43	Very low	45	Very low	149 Å²	149	136.5 Å²	136.5	78%	0.78	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	10.8	168	-74.2	173.2	0	0	0	113	A83 R85	A83-L87 VanDerWaalsContact O-CD1 3.31Å; A83-L87 WeakPolarHBondContact O-CD1 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.45Å; R85-L87 PolarHBondContact O-N 2.91Å
88	V	41.3	Very low	44	Very low	105 Å²	105	138 Å²	138	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-20.3	-176	178.7	0	0	0	0	113.3	H84 R85	H84-V88 WeakPolarHBondContact O-CG2 3.33Å; R85-V88 PolarHBondContact O-N 3.38Å
89	E	39.9	Very low	43.5	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	65%	0.649	S	S	*	*			trans	-105.7	72.4	176	-72.4	177.4	133	0	0	112.6
90	E	34	Very low	43.5	Very low	195 Å²	195	139.7 Å²	139.7	91%	0.911	66%	0.658	S	S	*	*			trans	-127.6	75.5	143.4	-92	-172.9	151.4	0	0	106.9	E92	E90-E92 PolarHBondContact O-N 2.94Å
91	E	33.4	Very low	42.9	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	66%	0.655	S	S	*	*			trans	-74	112.3	168.4	-168	165.6	-124.8	0	0	107.1	R93	E91-R93 PolarHBondContact O-N 3.42Å
92	E	36.8	Very low	42.5	Very low	187 Å²	187	140 Å²	140	87%	0.874	66%	0.659	S	S	*	*			trans	-56.8	110.9	-178.7	-74.5	-174.8	137.1	0	0	109.3	E90 P94	E90-E92 PolarHBondContact O-N 2.94Å; E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.35Å; E92-P94 VanDerWaalsContact O-N 3.07Å
93	R	32.9	Very low	41.7	Very low	231 Å²	231	135 Å²	135	87%	0.872	66%	0.656	S	S	*	*			trans	-57.4	114.4	179.4	-175	-178.4	-166.2	153.2	3.9	108.4	E91 D95	E91-R93 PolarHBondContact O-N 3.42Å; R93-D95 PolarHBondContact O-N 3.48Å
94	P	35.3	Very low	41.4	Very low	86 Å²	86	139.6 Å²	139.6	56%	0.558	68%	0.683	S	S	*	*			trans	-63.3	129.3	-176.6	23.8	-32.6	0	0	0	109.7	E92 S96	E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.35Å; E92-P94 VanDerWaalsContact O-N 3.07Å; P94-S96 VanDerWaalsContact C-N 3.26Å; P94-S96 PolarHBondContact O-N 3.45Å
95	D	36.7	Very low	41	Very low	110 Å²	110	139.7 Å²	139.7	59%	0.588	68%	0.683	S	S	*	*			trans	-66.7	84.8	175.5	-84.8	-35.2	0	0	0	109.5	R93 F97 L98 E99	R93-D95 PolarHBondContact O-N 3.48Å; D95-F97 PolarHBondContact O-N 2.92Å; D95-L98 HydrophobicContact CB-CB 4.06Å; D95-L98 HydrophobicContact CB-CD1 3.99Å; D95-L98 HydrophobicContact CB-CG 4.06Å; D95-L98 WeakPolarHBondContact O-CA 3.43Å; D95-L98 PolarHBondContact O-N 3.38Å; D95-E99 PolarHBondContact O-N 2.89Å
96	S	48.7	Very low	40.5	Very low	91 Å²	91	138.4 Å²	138.4	64%	0.636	69%	0.69	S	S	*	*	H	α-helix	trans	-61.2	-16.2	-179	70.6	0	0	0	0	113.2	P94 R100	P94-S96 VanDerWaalsContact C-N 3.26Å; P94-S96 PolarHBondContact O-N 3.45Å; S96-R100 WeakPolarHBondContact O-CB 3.46Å; S96-R100 PolarHBondContact O-N 3.48Å
97	F	45.1	Very low	40	Very low	124 Å²	124	147.1 Å²	147.1	54%	0.544	71%	0.713	S	S	.	*	H	α-helix	trans	-67.3	-45.4	166.5	-172.7	-95.6	0	0	0	112.3	D95 F101	D95-F97 PolarHBondContact O-N 2.92Å; F97-F101 HydrophobicContact CE2-CE2 4.17Å; F97-F101 HydrophobicContact CZ-CE2 4.2Å; F97-F101 WeakPolarHBondContact O-CD2 3.34Å
98	L	46.1	Very low	39.3	Very low	95 Å²	95	146.4 Å²	146.4	50%	0.497	72%	0.715	S	S	.	*	H	α-helix	trans	-75.7	-35.7	179.9	-68.6	178.2	0	0	0	112.5	D95 R100 F101 R102	D95-L98 HydrophobicContact CB-CB 4.06Å; D95-L98 HydrophobicContact CB-CD1 3.99Å; D95-L98 HydrophobicContact CB-CG 4.06Å; D95-L98 WeakPolarHBondContact O-CA 3.43Å; D95-L98 PolarHBondContact O-N 3.38Å; L98-R100 PolarHBondContact O-N 2.93Å; L98-F101 PolarHBondContact O-N 3.12Å; L98-R102 WeakPolarHBondContact O-CG 3.37Å; L98-R102 PolarHBondContact O-N 2.83Å
99	E	49.5	Very low	38.6	Very low	123 Å²	123	145.9 Å²	145.9	58%	0.575	72%	0.722	S	S	*	*	H	α-helix	trans	-60.6	-36	174.7	-66.5	-168.8	133.3	0	0	112.1	D95 F101	D95-E99 PolarHBondContact O-N 2.89Å; E99-F101 PolarHBondContact O-N 3.02Å
100	R	50.4	Low	38.1	Very low	186 Å²	186	143.9 Å²	143.9	70%	0.702	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-16.5	-179.4	-171.2	168.7	-178	133.8	6.1	114.5	S96 L98	S96-R100 WeakPolarHBondContact O-CB 3.46Å; S96-R100 PolarHBondContact O-N 3.48Å; L98-R100 PolarHBondContact O-N 2.93Å
101	F	47	Very low	37.8	Very low	146 Å²	146	139.5 Å²	139.5	64%	0.64	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	8.3	-175.9	-69.3	-71.7	0	0	0	114.7	F97 L98 E99 G103	F97-F101 HydrophobicContact CE2-CE2 4.17Å; F97-F101 HydrophobicContact CZ-CE2 4.2Å; F97-F101 WeakPolarHBondContact O-CD2 3.34Å; L98-F101 PolarHBondContact O-N 3.12Å; E99-F101 PolarHBondContact O-N 3.02Å; F101-G103 PolarHBondContact O-N 3.04Å
102	R	44.9	Very low	37.7	Very low	166 Å²	166	142.5 Å²	142.5	63%	0.626	72%	0.718	S	S	*	*			trans	-75.4	107.5	170.8	-64.6	-157.6	-161.3	-176.8	10.9	111.1	L98 E105	L98-R102 WeakPolarHBondContact O-CG 3.37Å; L98-R102 PolarHBondContact O-N 2.83Å; R102-E105 VanDerWaalsContact CD-OE1 3.29Å; R102-E105 WeakPolarHBondContact CD-OE1 3.47Å; R102-E105 IonicContact CZ-OE1 3.2Å; R102-E105 IonicContact NE-OE1 2.74Å; R102-E105 IonicContact NH1-OE1 2.71Å; R102-E105 PolarHBondContact NH1-OE1 2.96Å
103	G	43.4	Very low	37.3	Very low	52 Å²	52	140.5 Å²	140.5	54%	0.536	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-62.8	169.5	157	0	0	0	0	0	111.8	F101 E105	F101-G103 PolarHBondContact O-N 3.04Å; G103-E105 PolarHBondContact O-N 3.34Å; G103-E105 VanDerWaalsContact O-N 3.16Å
104	P	36.3	Very low	37	Very low	136 Å²	136	134.5 Å²	134.5	88%	0.883	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.9	-174	24.9	-34.2	0	0	0	112.2
105	E	34.9	Very low	36.7	Very low	135 Å²	135	138.4 Å²	138.4	63%	0.631	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-68.5	135.2	-176.1	-67.6	-174.7	169.1	0	0	113.2	R102 G103 R107	R102-E105 VanDerWaalsContact CD-OE1 3.29Å; R102-E105 WeakPolarHBondContact CD-OE1 3.47Å; R102-E105 IonicContact CZ-OE1 3.2Å; R102-E105 IonicContact NE-OE1 2.74Å; R102-E105 IonicContact NH1-OE1 2.71Å; R102-E105 PolarHBondContact NH1-OE1 2.96Å; G103-E105 PolarHBondContact O-N 3.34Å; G103-E105 VanDerWaalsContact O-N 3.16Å; E105-R107 PolarHBondContact O-N 3.36Å
106	L	31.3	Very low	36.4	Very low	167 Å²	167	139 Å²	139	87%	0.874	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-70.7	116	165.9	-93.1	117.6	0	0	0	110.3	T108	L106-T108 PolarHBondContact O-N 2.97Å; L106-T108 VanDerWaalsContact O-N 3.07Å
107	R	28.8	Very low	35.5	Very low	248 Å²	248	142.6 Å²	142.6	94%	0.936	74%	0.736	S	S	*	*			trans	-61.7	107.1	173.1	-74.2	-179.6	166.8	-175.7	-4.4	111.4	E105	E105-R107 PolarHBondContact O-N 3.36Å
108	T	28.8	Very low	35	Very low	134 Å²	134	142.4 Å²	142.4	82%	0.822	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-79.4	143.6	162.9	47.2	0	0	0	0	110.3	L106	L106-T108 PolarHBondContact O-N 2.97Å; L106-T108 VanDerWaalsContact O-N 3.07Å
109	A	26.5	Very low	34.3	Very low	95 Å²	95	144.5 Å²	144.5	79%	0.785	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.5	-174.3	0	0	0	0	0	112.1
110	P	30.2	Very low	34	Very low	128 Å²	128	144 Å²	144	83%	0.831	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.9	132.6	178.8	28.3	-34.4	0	0	0	111.5
111	S	27.2	Very low	33.3	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.6	143.3	177.2	52	0	0	0	0	112.1	N113	S111-N113 PolarHBondContact O-N 3.49Å
112	R	30.3	Very low	33.2	Very low	248 Å²	248	136.7 Å²	136.7	94%	0.936	77%	0.772	S	S	*	*			trans	-80.1	77.1	-167.5	-168.2	-176	71.2	178.9	2	113.1
113	N	28	Very low	33	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.4	135.6	166.4	-77.6	-19.1	0	0	0	111.1	S111	S111-N113 PolarHBondContact O-N 3.49Å
114	S	27.9	Very low	33	Very low	105 Å²	105	136 Å²	136	73%	0.734	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.6	-175.2	52.2	0	0	0	0	112.5	T116	S114-T116 PolarHBondContact O-N 2.91Å
115	I	29	Very low	33.6	Very low	168 Å²	168	132.5 Å²	132.5	86%	0.862	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-76.1	117	169.1	-60.8	169.3	0	0	0	108.6
116	T	30.7	Very low	34.2	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	75%	0.754	S	S	*	*			trans	-106.8	130	162.5	-38.2	0	0	0	0	107.7	S114	S114-T116 PolarHBondContact O-N 2.91Å
117	Q	29.6	Very low	34.9	Very low	167 Å²	167	127.3 Å²	127.3	78%	0.78	73%	0.73	S	S	*	*			trans	-67.2	147.5	-179.4	-71.6	178.2	-65.2	0	0	111.7	D119	Q117-D119 PolarHBondContact O-N 3.18Å
118	P	33.9	Very low	36.2	Very low	120 Å²	120	120.7 Å²	120.7	78%	0.779	71%	0.712	S	S	*	*			trans	-83.3	99.3	175.9	32.5	-32.4	0	0	0	110.8	A120	P118-A120 PolarHBondContact O-N 3.13Å
119	D	31.3	Very low	37.1	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	70%	0.697	S	S	*	*			trans	-60.2	133.8	171.4	-79.6	-40.7	0	0	0	111.7	Q117 N121	Q117-D119 PolarHBondContact O-N 3.18Å; D119-N121 PolarHBondContact O-N 2.63Å
120	A	42.8	Very low	38.1	Very low	112 Å²	112	122.6 Å²	122.6	93%	0.926	69%	0.69	S	S	*	*			trans	-76.5	82.9	-173.5	0	0	0	0	0	112	P118	P118-A120 PolarHBondContact O-N 3.13Å
121	N	35.9	Very low	39.1	Very low	114 Å²	114	123.5 Å²	123.5	61%	0.61	68%	0.681	S	S	*	*			trans	-142.7	133.8	171.9	-153.4	-24.4	0	0	0	113.1	D119 N123 N124	D119-N121 PolarHBondContact O-N 2.63Å; N121-N123 PolarHBondContact O-N 3.31Å; N121-N124 PolarHBondContact O-N 2.73Å
122	G	45.8	Very low	40.4	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-3.5	-169.2	0	0	0	0	0	116.1
123	N	41	Very low	41.4	Very low	107 Å²	107	123.8 Å²	123.8	57%	0.572	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-23.6	177.9	-69.9	-35.7	0	0	0	113.5	N121 A125 K126 G127	N121-N123 PolarHBondContact O-N 3.31Å; N123-A125 VanDerWaalsContact C-N 3.31Å; N123-A125 PolarHBondContact O-N 2.79Å; N123-K126 PolarHBondContact O-N 3.02Å; N123-K126 VanDerWaalsContact O-N 3.14Å; N123-G127 PolarHBondContact O-N 2.91Å
124	N	43.7	Very low	42.6	Very low	97 Å²	97	120.7 Å²	120.7	52%	0.519	65%	0.647	S	S	.	*	H	α-helix	trans	-61.9	-33.6	-177.4	-87.2	-29	0	0	0	113.5	N121 K126 G127 I128	N121-N124 PolarHBondContact O-N 2.73Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.95Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 VanDerWaalsContact O-N 3.14Å; N124-I128 VanDerWaalsContact O-CG1 3.32Å; N124-I128 WeakPolarHBondContact O-CG1 3.41Å; N124-I128 PolarHBondContact O-N 3.03Å
125	A	47.3	Very low	44	Very low	63 Å²	63	122 Å²	122	52%	0.521	65%	0.645	S	S	.	*	H	α-helix	trans	-60.6	-39.3	176	0	0	0	0	0	112.5	N123 L129	N123-A125 VanDerWaalsContact C-N 3.31Å; N123-A125 PolarHBondContact O-N 2.79Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 WeakPolarHBondContact O-CG 3.46Å; A125-L129 PolarHBondContact O-N 3.34Å
126	K	48.5	Very low	45.9	Very low	156 Å²	156	117.9 Å²	117.9	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-69.4	-36.8	175.4	-65.1	179.8	-178.3	174.2	0	111.6	N123 N124 R130	N123-K126 PolarHBondContact O-N 3.02Å; N123-K126 VanDerWaalsContact O-N 3.14Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.95Å; K126-R130 VanDerWaalsContact O-CB 3.23Å; K126-R130 WeakPolarHBondContact O-CB 3.38Å; K126-R130 PolarHBondContact O-N 2.8Å
127	G	46.1	Very low	48.3	Very low	36 Å²	36	113.4 Å²	113.4	37%	0.371	60%	0.597	S	S	.	*	H	α-helix	trans	-65.7	-42.2	174.5	0	0	0	0	0	113.5	N123 N124 R130 K131	N123-G127 PolarHBondContact O-N 2.91Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 VanDerWaalsContact O-N 3.14Å; G127-R130 PolarHBondContact O-N 2.65Å; G127-K131 PolarHBondContact O-N 2.93Å
128	I	54.8	Low	50.9	Low	109 Å²	109	106.7 Å²	106.7	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-67.2	-43.9	177.1	-67.5	162.9	0	0	0	110.9	N124 K131 R132	N124-I128 VanDerWaalsContact O-CG1 3.32Å; N124-I128 WeakPolarHBondContact O-CG1 3.41Å; N124-I128 PolarHBondContact O-N 3.03Å; I128-K131 PolarHBondContact O-N 3.34Å; I128-R132 PolarHBondContact O-N 3.15Å
129	L	48.3	Very low	53.4	Low	97 Å²	97	101.9 Å²	101.9	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-60	-48	172.5	-77.6	166.9	0	0	0	111.2	A125 K131 R132 W133	A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 WeakPolarHBondContact O-CG 3.46Å; A125-L129 PolarHBondContact O-N 3.34Å; L129-K131 PolarHBondContact O-N 2.78Å; L129-R132 WeakPolarHBondContact O-CB 3.46Å; L129-R132 PolarHBondContact O-N 3.4Å; L129-R132 VanDerWaalsContact O-N 3.09Å; L129-W133 VanDerWaalsContact O-CD1 3.26Å; L129-W133 PolarHBondContact O-N 3.03Å
130	R	48.4	Very low	55.9	Low	173 Å²	173	97 Å²	97	65%	0.653	51%	0.513	S	S	*	.	H	α-helix	trans	-57.5	-46.1	177.7	179.5	171.9	171.6	168.6	-0	112.2	K126 G127 R132 W133 E134	K126-R130 VanDerWaalsContact O-CB 3.23Å; K126-R130 WeakPolarHBondContact O-CB 3.38Å; K126-R130 PolarHBondContact O-N 2.8Å; G127-R130 PolarHBondContact O-N 2.65Å; R130-R132 PolarHBondContact O-N 2.86Å; R130-W133 PolarHBondContact O-N 2.73Å; R130-E134 HydrophobicContact CG-CG 4.42Å; R130-E134 WeakPolarHBondContact CG-OE1 3.38Å; R130-E134 IonicContact CZ-OE1 3.4Å; R130-E134 IonicContact NE-OE1 2.7Å; R130-E134 PolarHBondContact NE-OE1 3.23Å; R130-E134 IonicContact NH2-OE1 3.14Å; R130-E134 PolarHBondContact NH2-OE1 3.36Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 WeakPolarHBondContact O-CG 3.44Å; R130-E134 PolarHBondContact O-N 3.43Å
131	K	50.5	Low	57.9	Low	147 Å²	147	96 Å²	96	64%	0.639	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-39.1	173.7	-84.5	-173.1	169.5	-176.7	0	113.1	G127 I128 L129 E134 L135	G127-K131 PolarHBondContact O-N 2.93Å; I128-K131 PolarHBondContact O-N 3.34Å; L129-K131 PolarHBondContact O-N 2.78Å; K131-E134 PolarHBondContact O-N 3.47Å; K131-L135 WeakPolarHBondContact O-CB 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.41Å; K131-L135 PolarHBondContact O-N 3.09Å
132	R	54.2	Low	60.3	Low	186 Å²	186	93.7 Å²	93.7	70%	0.702	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-39.6	174.1	-89.7	-176.5	162.1	-171.1	-6.6	112.6	I128 L129 R130 L136	I128-R132 PolarHBondContact O-N 3.15Å; L129-R132 WeakPolarHBondContact O-CB 3.46Å; L129-R132 PolarHBondContact O-N 3.4Å; L129-R132 VanDerWaalsContact O-N 3.09Å; R130-R132 PolarHBondContact O-N 2.86Å; R132-L136 PolarHBondContact O-N 3.27Å
133	W	52.7	Low	62.4	Low	171 Å²	171	94.6 Å²	94.6	65%	0.648	48%	0.476	S	S	*	.	H	α-helix	trans	-74.8	-34	176.4	-80	70.5	0	0	0	112.7	L129 R130 L136	L129-W133 VanDerWaalsContact O-CD1 3.26Å; L129-W133 PolarHBondContact O-N 3.03Å; R130-W133 PolarHBondContact O-N 2.73Å; W133-L136 PolarHBondContact O-N 3.16Å
134	E	51.7	Low	64.7	Low	80 Å²	80	92.4 Å²	92.4	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-42.5	172.5	-75	165.5	176.2	0	0	110.5	R130 K131 L136 R200 H213	R130-E134 HydrophobicContact CG-CG 4.42Å; R130-E134 WeakPolarHBondContact CG-OE1 3.38Å; R130-E134 IonicContact CZ-OE1 3.4Å; R130-E134 IonicContact NE-OE1 2.7Å; R130-E134 PolarHBondContact NE-OE1 3.23Å; R130-E134 IonicContact NH2-OE1 3.14Å; R130-E134 PolarHBondContact NH2-OE1 3.36Å; R130-E134 WeakPolarHBondContact O-CB 3.41Å; R130-E134 WeakPolarHBondContact O-CG 3.44Å; R130-E134 PolarHBondContact O-N 3.43Å; K131-E134 PolarHBondContact O-N 3.47Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.84Å; E134-R200 PolarHBondContact O-NH1 2.75Å; E134-H213 PolarHBondContact O-CE1 2.88Å; E134-H213 PolarHBondContact O-NE2 2.87Å
135	L	57.7	Low	67	Low	133 Å²	133	88 Å²	88	70%	0.696	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.3	176.3	-74.4	166.4	0	0	0	115.6	K131 V137	K131-L135 WeakPolarHBondContact O-CB 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.41Å; K131-L135 PolarHBondContact O-N 3.09Å; L135-V137 PolarHBondContact O-N 2.84Å
136	L	68.9	Low	69.1	Low	81 Å²	81	87.5 Å²	87.5	42%	0.424	43%	0.434	S	S	.	.			trans	-72.9	104.8	-174.3	-165.7	134.1	0	0	0	110.8	R132 W133 E134 V138 R200	R132-L136 PolarHBondContact O-N 3.27Å; W133-L136 PolarHBondContact O-N 3.16Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.84Å; L136-V138 HydrophobicContact CD2-CG2 3.99Å; L136-R200 PolarHBondContact O-NH1 3.03Å
137	V	80.4	Confident	71.3	Confident	30 Å²	30	86.4 Å²	86.4	18%	0.182	43%	0.425	C	S	.	.			trans	-118.5	125.4	168.6	177.4	0	0	0	0	107.1	L135 R200 K211 L216	L135-V137 PolarHBondContact O-N 2.84Å; V137-R200 CarbonylContact C-O 3.57Å; V137-R200 WeakPolarHBondContact CA-O 3.3Å; V137-K211 HydrophobicContact CB-CG 4.42Å; V137-K211 HydrophobicContact CG1-CG 4.23Å; V137-K211 HydrophobicContact CG2-CB 4.1Å; V137-K211 WeakPolarHBondContact CG2-O 3.22Å; V137-L216 HydrophobicContact CG1-CD1 3.81Å; V137-L216 HydrophobicContact CG2-CD1 4.19Å
138	V	85.1	Confident	73.6	Confident	25 Å²	25	87.4 Å²	87.4	15%	0.152	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-89.9	127.8	178.4	-175	0	0	0	0	108.2	L136 Y145 V197 R200 T201 G202	L136-V138 HydrophobicContact CD2-CG2 3.99Å; V138-Y145 HydrophobicContact CG1-CD2 3.85Å; V138-Y145 HydrophobicContact CG1-CG 4.36Å; V138-V197 HydrophobicContact CG2-CG1 4.41Å; V138-R200 PolarHBondContact N-O 2.85Å; V138-T201 WeakPolarHBondContact O-CA 3.27Å; V138-G202 PolarHBondContact O-N 3.47Å
139	S	86.1	Confident	75.5	Confident	20 Å²	20	82.2 Å²	82.2	14%	0.14	39%	0.391	C	S	.	.			trans	-79.9	138.4	173.5	-178.8	0	0	0	0	109.3	S141 D142	S139-S141 PolarHBondContact O-N 3.49Å; S139-S141 VanDerWaalsContact O-N 3.12Å; S139-S141 PolarHBondContact OG-N 3.24Å; S139-D142 WeakPolarHBondContact CB-OD1 3.35Å; S139-D142 WeakPolarHBondContact CB-OD2 3.47Å; S139-D142 PolarHBondContact N-OD2 3.18Å; S139-D142 PolarHBondContact O-N 2.9Å; S139-D142 VanDerWaalsContact O-N 3.16Å
140	P	84.5	Confident	77.7	Confident	36 Å²	36	82.8 Å²	82.8	23%	0.234	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30	173.7	-26.3	34.5	0	0	0	113.2	D142 T201 G202 R267	P140-D142 VanDerWaalsContact C-N 3.3Å; P140-D142 PolarHBondContact O-N 2.77Å; P140-T201 HydrophobicContact CG-CG2 3.98Å; P140-G202 VanDerWaalsContact CD-O 3.27Å; P140-G202 WeakPolarHBondContact CD-O 3.46Å; P140-G202 WeakPolarHBondContact CG-O 3.27Å; P140-R267 PolarHBondContact O-NH1 3.09Å
141	S	83.4	Confident	80	Confident	90 Å²	90	77.5 Å²	77.5	63%	0.629	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22	-177.4	-53.1	0	0	0	0	113.9	S139 R271	S139-S141 PolarHBondContact O-N 3.49Å; S139-S141 VanDerWaalsContact O-N 3.12Å; S139-S141 PolarHBondContact OG-N 3.24Å; S141-R271 PolarHBondContact O-NH2 2.88Å; S141-R271 VanDerWaalsContact O-NH2 3.09Å
142	D	87.6	Confident	82.2	Confident	66 Å²	66	70.5 Å²	70.5	35%	0.353	35%	0.347	S	S	.	.			trans	-65.7	139.4	-165.9	-62	-23	0	0	0	113.2	S139 P140 A144 Y145 Y146	S139-D142 WeakPolarHBondContact CB-OD1 3.35Å; S139-D142 WeakPolarHBondContact CB-OD2 3.47Å; S139-D142 PolarHBondContact N-OD2 3.18Å; S139-D142 PolarHBondContact O-N 2.9Å; S139-D142 VanDerWaalsContact O-N 3.16Å; P140-D142 VanDerWaalsContact C-N 3.3Å; P140-D142 PolarHBondContact O-N 2.77Å; D142-A144 HydrophobicContact CB-CB 4.41Å; D142-A144 PolarHBondContact O-N 2.82Å; D142-Y145 WeakPolarHBondContact O-CA 3.39Å; D142-Y145 WeakPolarHBondContact O-CB 3.39Å; D142-Y145 PolarHBondContact O-N 3.17Å; D142-Y146 PolarHBondContact O-N 2.74Å
143	D	89.8	Confident	84.2	Confident	84 Å²	84	62 Å²	62	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-21.9	171.2	-89.7	41.6	0	0	0	112.9	R147 R271	D143-R147 WeakPolarHBondContact O-CB 3.46Å; D143-R147 VanDerWaalsContact O-CG 3.31Å; D143-R147 WeakPolarHBondContact O-CG 3.26Å; D143-R147 PolarHBondContact O-N 2.99Å; D143-R147 VanDerWaalsContact O-N 3.11Å; D143-R147 PolarHBondContact O-NE 2.95Å; D143-R271 VanDerWaalsContact CG-NH1 3.28Å; D143-R271 IonicContact OD1-CZ 3.25Å; D143-R271 IonicContact OD1-NH1 3.7Å; D143-R271 PolarHBondContact OD1-NH1 3.12Å; D143-R271 IonicContact OD1-NH2 3.46Å; D143-R271 PolarHBondContact OD1-NH2 2.86Å; D143-R271 IonicContact OD2-NH1 3.2Å; D143-R271 PolarHBondContact OD2-NH1 3.26Å
144	A	89.3	Confident	86.2	Confident	60 Å²	60	58.4 Å²	58.4	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-43.4	169.2	0	0	0	0	0	111.8	D142 R147 W148	D142-A144 HydrophobicContact CB-CB 4.41Å; D142-A144 PolarHBondContact O-N 2.82Å; A144-R147 PolarHBondContact O-N 3.32Å; A144-W148 WeakPolarHBondContact O-CB 3.47Å; A144-W148 PolarHBondContact O-N 3.28Å
145	Y	91.4	Very high	88.4	Confident	6 Å²	6	55 Å²	55	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-43	176.4	-175.6	-84.5	0	0	0	111.3	V138 D142 R147 W148 L149 V197 T201 R260 E263	V138-Y145 HydrophobicContact CG1-CD2 3.85Å; V138-Y145 HydrophobicContact CG1-CG 4.36Å; D142-Y145 WeakPolarHBondContact O-CA 3.39Å; D142-Y145 WeakPolarHBondContact O-CB 3.39Å; D142-Y145 PolarHBondContact O-N 3.17Å; Y145-R147 PolarHBondContact O-N 3.06Å; Y145-W148 PolarHBondContact O-N 3.01Å; Y145-L149 HydrophobicContact CE1-CD2 4.11Å; Y145-L149 WeakPolarHBondContact O-CB 3.46Å; Y145-L149 PolarHBondContact O-N 3.02Å; Y145-V197 HydrophobicContact CD2-CG1 4.45Å; Y145-V197 HydrophobicContact CE2-CG1 4.45Å; Y145-T201 HydrophobicContact CD2-CG2 4.49Å; Y145-T201 HydrophobicContact CE2-CG2 3.92Å; Y145-R260 PolarHBondContact OH-NH1 3.46Å; Y145-R260 PolarHBondContact OH-NH2 3Å; Y145-E263 WeakPolarHBondContact CE1-OE1 3.22Å; Y145-E263 PolarHBondContact OH-OE1 2.9Å
146	Y	92.6	Very high	90.2	Very high	51 Å²	51	48.7 Å²	48.7	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-44.8	175.7	174.9	-110.2	0	0	0	112.4	D142 W148 L149 F150 F264 R267 T268	D142-Y146 PolarHBondContact O-N 2.74Å; Y146-W148 VanDerWaalsContact C-N 3.35Å; Y146-W148 PolarHBondContact O-N 2.63Å; Y146-L149 WeakPolarHBondContact O-CB 3.44Å; Y146-L149 PolarHBondContact O-N 3.22Å; Y146-F150 PolarHBondContact O-N 3.18Å; Y146-F150 VanDerWaalsContact O-N 3.16Å; Y146-F264 HydrophobicContact CE2-CD2 4.42Å; Y146-F264 AromaticContact CE2-CE2 3.89Å; Y146-F264 HydrophobicContact CE2-CE2 3.89Å; Y146-R267 HydrophobicContact CD2-CB 4.13Å; Y146-R267 HydrophobicContact CE2-CB 4.34Å; Y146-T268 PolarHBondContact OH-OG1 2.8Å
147	R	93.4	Very high	91.5	Very high	133 Å²	133	47.2 Å²	47.2	50%	0.502	25%	0.253	S	S	.	.	H	α-helix	trans	-64.8	-36	175.5	-76.3	176.1	-78.1	-172.8	-3.9	112.7	D143 A144 Y145 V151	D143-R147 WeakPolarHBondContact O-CB 3.46Å; D143-R147 VanDerWaalsContact O-CG 3.31Å; D143-R147 WeakPolarHBondContact O-CG 3.26Å; D143-R147 PolarHBondContact O-N 2.99Å; D143-R147 VanDerWaalsContact O-N 3.11Å; D143-R147 PolarHBondContact O-NE 2.95Å; A144-R147 PolarHBondContact O-N 3.32Å; Y145-R147 PolarHBondContact O-N 3.06Å; R147-V151 PolarHBondContact O-N 3.06Å
148	W	95	Very high	92.2	Very high	57 Å²	57	47.5 Å²	47.5	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-41	172.7	-180	-115.8	0	0	0	112.3	A144 Y145 Y146 F150 V151 I152 V190 L193 D194	A144-W148 WeakPolarHBondContact O-CB 3.47Å; A144-W148 PolarHBondContact O-N 3.28Å; Y145-W148 PolarHBondContact O-N 3.01Å; Y146-W148 VanDerWaalsContact C-N 3.35Å; Y146-W148 PolarHBondContact O-N 2.63Å; W148-F150 VanDerWaalsContact C-N 3.31Å; W148-F150 PolarHBondContact O-N 3.08Å; W148-V151 HydrophobicContact CZ3-CG1 4.47Å; W148-V151 WeakPolarHBondContact O-CB 3.48Å; W148-V151 PolarHBondContact O-N 2.83Å; W148-V151 VanDerWaalsContact O-N 3.1Å; W148-I152 HydrophobicContact CG-CD1 4.34Å; W148-I152 PolarHBondContact O-N 3.25Å; W148-I152 VanDerWaalsContact O-N 3.13Å; W148-V190 HydrophobicContact CH2-CG1 4.27Å; W148-V190 HydrophobicContact CZ2-CG1 4.49Å; W148-L193 HydrophobicContact CH2-CB 3.71Å; W148-L193 HydrophobicContact CH2-CD1 4.14Å; W148-L193 HydrophobicContact CZ2-CB 3.72Å; W148-D194 HydrophobicContact CZ2-CB 4.27Å
149	L	94.4	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-33.8	179.1	-166.7	61.5	0	0	0	112.8	Y145 Y146 I152 A153 E263 F264 R267	Y145-L149 HydrophobicContact CE1-CD2 4.11Å; Y145-L149 WeakPolarHBondContact O-CB 3.46Å; Y145-L149 PolarHBondContact O-N 3.02Å; Y146-L149 WeakPolarHBondContact O-CB 3.44Å; Y146-L149 PolarHBondContact O-N 3.22Å; L149-I152 HydrophobicContact CD1-CD1 4.41Å; L149-I152 PolarHBondContact O-N 3.36Å; L149-A153 PolarHBondContact O-N 2.66Å; L149-E263 HydrophobicContact CD2-CB 4.44Å; L149-E263 HydrophobicContact CD2-CG 4.11Å; L149-F264 HydrophobicContact CB-CD2 4.4Å; L149-F264 HydrophobicContact CD2-CB 4.28Å; L149-F264 HydrophobicContact CG-CB 3.9Å; L149-F264 HydrophobicContact CG-CD2 4.18Å; L149-R267 HydrophobicContact CD2-CB 4.28Å; L149-R267 HydrophobicContact CD2-CG 3.83Å
150	F	95.2	Very high	93.1	Very high	110 Å²	110	48.6 Å²	48.6	48%	0.482	25%	0.25	S	S	.	.	H	α-helix	trans	-62.7	-42.1	170.4	177.6	-120.5	0	0	0	112.9	Y146 W148 I152 A153 I154 F264	Y146-F150 PolarHBondContact O-N 3.18Å; Y146-F150 VanDerWaalsContact O-N 3.16Å; W148-F150 VanDerWaalsContact C-N 3.31Å; W148-F150 PolarHBondContact O-N 3.08Å; F150-I152 VanDerWaalsContact C-N 3.3Å; F150-I152 PolarHBondContact O-N 3.42Å; F150-A153 PolarHBondContact O-N 2.75Å; F150-I154 HydrophobicContact CD1-CD1 4.2Å; F150-I154 HydrophobicContact CE1-CD1 3.78Å; F150-I154 HydrophobicContact CE2-CD1 4.14Å; F150-I154 HydrophobicContact CE2-CG1 4.39Å; F150-I154 HydrophobicContact CZ-CD1 3.76Å; F150-I154 HydrophobicContact CZ-CG1 4.47Å; F150-I154 WeakPolarHBondContact O-CG1 3.46Å; F150-I154 PolarHBondContact O-N 2.69Å; F150-I154 VanDerWaalsContact O-N 3.09Å; F150-F264 HydrophobicContact CB-CD2 4.26Å; F150-F264 HydrophobicContact CB-CE2 3.69Å; F150-F264 HydrophobicContact CB-CZ 4.21Å; F150-F264 HydrophobicContact CD2-CE1 4.11Å; F150-F264 AromaticContact CD2-CE2 3.91Å; F150-F264 HydrophobicContact CD2-CE2 3.91Å; F150-F264 AromaticContact CD2-CZ 3.51Å; F150-F264 HydrophobicContact CD2-CZ 3.51Å; F150-F264 HydrophobicContact CE2-CZ 4.36Å; F150-F264 HydrophobicContact CG-CE2 4.27Å; F150-F264 HydrophobicContact CG-CZ 4.3Å
151	V	96.4	Very high	93.6	Very high	62 Å²	62	49.3 Å²	49.3	38%	0.376	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-39.2	176.3	177.9	0	0	0	0	110.9	R147 W148 I154 A155 V190	R147-V151 PolarHBondContact O-N 3.06Å; W148-V151 HydrophobicContact CZ3-CG1 4.47Å; W148-V151 WeakPolarHBondContact O-CB 3.48Å; W148-V151 PolarHBondContact O-N 2.83Å; W148-V151 VanDerWaalsContact O-N 3.1Å; V151-I154 PolarHBondContact O-N 2.83Å; V151-A155 PolarHBondContact O-N 2.63Å; V151-A155 VanDerWaalsContact O-N 3.17Å; V151-V190 HydrophobicContact CG1-CG1 4.27Å; V151-V190 HydrophobicContact CG1-CG2 4.38Å
152	I	95.9	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-43.9	174.5	-61.7	157.4	0	0	0	111	W148 L149 F150 I154 A155 V156 V190 D194 R260	W148-I152 HydrophobicContact CG-CD1 4.34Å; W148-I152 PolarHBondContact O-N 3.25Å; W148-I152 VanDerWaalsContact O-N 3.13Å; L149-I152 HydrophobicContact CD1-CD1 4.41Å; L149-I152 PolarHBondContact O-N 3.36Å; F150-I152 VanDerWaalsContact C-N 3.3Å; F150-I152 PolarHBondContact O-N 3.42Å; I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 2.92Å; I152-A155 PolarHBondContact O-N 2.99Å; I152-V156 HydrophobicContact CG2-CG2 4.05Å; I152-V156 WeakPolarHBondContact O-CG2 3.43Å; I152-V156 PolarHBondContact O-N 3.04Å; I152-V190 HydrophobicContact CG1-CG1 4.09Å; I152-D194 HydrophobicContact CD1-CB 3.84Å; I152-D194 WeakPolarHBondContact CD1-OD1 3.27Å; I152-D194 HydrophobicContact CG1-CB 4.16Å; I152-R260 HydrophobicContact CG2-CB 3.64Å; I152-R260 HydrophobicContact CG2-CG 4.18Å
153	A	96.1	Very high	94.5	Very high	8 Å²	8	44.5 Å²	44.5	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-39.4	178.3	0	0	0	0	0	112.2	L149 F150 V156 L157 F264	L149-A153 PolarHBondContact O-N 2.66Å; F150-A153 PolarHBondContact O-N 2.75Å; A153-V156 PolarHBondContact O-N 3.14Å; A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 PolarHBondContact O-N 3.35Å; A153-F264 HydrophobicContact CB-CB 3.87Å; A153-F264 HydrophobicContact CB-CD1 3.57Å; A153-F264 HydrophobicContact CB-CD2 4.45Å; A153-F264 HydrophobicContact CB-CE1 4.32Å; A153-F264 HydrophobicContact CB-CG 3.67Å
154	I	95.9	Very high	94.8	Very high	95 Å²	95	41 Å²	41	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-62.6	-45.4	172.7	-65.7	167.7	0	0	0	111.3	F150 V151 I152 V156 L157 Y158	F150-I154 HydrophobicContact CD1-CD1 4.2Å; F150-I154 HydrophobicContact CE1-CD1 3.78Å; F150-I154 HydrophobicContact CE2-CD1 4.14Å; F150-I154 HydrophobicContact CE2-CG1 4.39Å; F150-I154 HydrophobicContact CZ-CD1 3.76Å; F150-I154 HydrophobicContact CZ-CG1 4.47Å; F150-I154 WeakPolarHBondContact O-CG1 3.46Å; F150-I154 PolarHBondContact O-N 2.69Å; F150-I154 VanDerWaalsContact O-N 3.09Å; V151-I154 PolarHBondContact O-N 2.83Å; I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 2.92Å; I154-V156 PolarHBondContact O-N 3.05Å; I154-L157 PolarHBondContact O-N 3.29Å; I154-Y158 WeakPolarHBondContact O-CB 3.48Å; I154-Y158 PolarHBondContact O-N 3.1Å
155	A	96.4	Very high	95.1	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-36	178.7	0	0	0	0	0	112.9	V151 I152 N159 V190 Y191	V151-A155 PolarHBondContact O-N 2.63Å; V151-A155 VanDerWaalsContact O-N 3.17Å; I152-A155 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-N 2.86Å; A155-N159 VanDerWaalsContact O-N 3.17Å; A155-N159 PolarHBondContact O-ND2 3.04Å; A155-N159 VanDerWaalsContact O-ND2 3.11Å; A155-V190 HydrophobicContact CB-CB 4.38Å; A155-V190 HydrophobicContact CB-CG1 4.1Å; A155-Y191 HydrophobicContact CB-CE1 4.02Å
156	V	96.3	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-47	174.1	173.6	0	0	0	0	110.8	I152 A153 I154 N159 W160 Y191 R257 M261	I152-V156 HydrophobicContact CG2-CG2 4.05Å; I152-V156 WeakPolarHBondContact O-CG2 3.43Å; I152-V156 PolarHBondContact O-N 3.04Å; A153-V156 PolarHBondContact O-N 3.14Å; I154-V156 PolarHBondContact O-N 3.05Å; V156-N159 PolarHBondContact O-N 3.47Å; V156-W160 WeakPolarHBondContact O-CB 3.45Å; V156-W160 PolarHBondContact O-N 2.83Å; V156-Y191 HydrophobicContact CG2-CE1 4.01Å; V156-R257 HydrophobicContact CG2-CB 4.13Å; V156-R257 HydrophobicContact CG2-CG 4.05Å; V156-M261 HydrophobicContact CB-CB 4.35Å; V156-M261 HydrophobicContact CG1-CB 3.91Å; V156-M261 HydrophobicContact CG1-SD 4.14Å
157	L	95.5	Very high	95.2	Very high	50 Å²	50	36.2 Å²	36.2	26%	0.262	17%	0.172	S	C	.	.	H	α-helix	trans	-65.5	-38.8	179.1	-175.3	62.4	0	0	0	112.2	A153 I154 N159 W160 L161 L285	A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 PolarHBondContact O-N 3.35Å; I154-L157 PolarHBondContact O-N 3.29Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 3.08Å; L157-W160 PolarHBondContact O-N 3.49Å; L157-L161 HydrophobicContact CD1-CD1 3.88Å; L157-L161 HydrophobicContact CD1-CG 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.65Å; L157-L285 HydrophobicContact CD1-CD1 4.3Å
158	Y	96.1	Very high	95.3	Very high	36 Å²	36	30.3 Å²	30.3	14%	0.141	15%	0.151	C	C	.	.	H	α-helix	trans	-53	-51.1	169.4	165.9	-90.8	0	0	0	110.8	I154 L162 R166 L183 D184	I154-Y158 WeakPolarHBondContact O-CB 3.48Å; I154-Y158 PolarHBondContact O-N 3.1Å; Y158-L162 HydrophobicContact CD2-CD1 3.64Å; Y158-L162 HydrophobicContact CE2-CB 4.38Å; Y158-L162 HydrophobicContact CE2-CD1 3.59Å; Y158-L162 WeakPolarHBondContact O-CB 3.18Å; Y158-L162 PolarHBondContact O-N 3.3Å; Y158-R166 PolarHBondContact OH-NH2 3.17Å; Y158-L183 HydrophobicContact CE2-CB 3.87Å; Y158-L183 HydrophobicContact CE2-CD1 4.11Å; Y158-L183 WeakPolarHBondContact OH-CB 3.37Å; Y158-D184 VanDerWaalsContact CE1-OD1 3.29Å; Y158-D184 WeakPolarHBondContact CE1-OD1 3.19Å; Y158-D184 PolarHBondContact OH-OD1 3.43Å
159	N	95.3	Very high	95.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-42.8	-178.9	-79.8	-46.2	0	0	0	112	A155 V156 L157 L161 V163 S187 Y191 L255	A155-N159 PolarHBondContact O-N 2.86Å; A155-N159 VanDerWaalsContact O-N 3.17Å; A155-N159 PolarHBondContact O-ND2 3.04Å; A155-N159 VanDerWaalsContact O-ND2 3.11Å; V156-N159 PolarHBondContact O-N 3.47Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 3.08Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 3.13Å; N159-V163 HydrophobicContact CB-CG2 4.22Å; N159-V163 VanDerWaalsContact O-CB 3.26Å; N159-V163 WeakPolarHBondContact O-CB 3.43Å; N159-V163 VanDerWaalsContact O-CG2 3.29Å; N159-V163 WeakPolarHBondContact O-CG2 3.42Å; N159-V163 PolarHBondContact O-N 3.16Å; N159-V163 VanDerWaalsContact O-N 3.13Å; N159-S187 PolarHBondContact ND2-OG 3.2Å; N159-S187 VanDerWaalsContact ND2-OG 3.12Å; N159-Y191 PolarHBondContact ND2-OH 2.93Å; N159-Y191 VanDerWaalsContact ND2-OH 3.15Å; N159-L255 WeakPolarHBondContact O-CD2 3.46Å
160	W	94.8	Very high	95	Very high	66 Å²	66	31.1 Å²	31.1	25%	0.25	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-27.8	-179.2	-100.2	71.6	0	0	0	115.2	V156 L157 L255 F258 V289 W293	V156-W160 WeakPolarHBondContact O-CB 3.45Å; V156-W160 PolarHBondContact O-N 2.83Å; L157-W160 PolarHBondContact O-N 3.49Å; W160-L255 HydrophobicContact CG-CD2 4.16Å; W160-L255 PolarHBondContact NE1-O 3.1Å; W160-F258 HydrophobicContact CZ2-CB 4.03Å; W160-F258 HydrophobicContact CZ2-CD1 4.35Å; W160-F258 HydrophobicContact CZ2-CG 4.35Å; W160-V289 HydrophobicContact CE3-CG1 3.83Å; W160-V289 HydrophobicContact CZ3-CG1 4.11Å; W160-W293 HydrophobicContact CD2-CZ2 4.44Å; W160-W293 HydrophobicContact CE3-CZ2 4.05Å; W160-W293 AromaticContact CE3-NE1 3.8Å; W160-W293 HydrophobicContact CZ3-CZ2 4.27Å; W160-W293 PolarHBondContact O-NE1 3.45Å
161	L	95.7	Very high	94.7	Very high	51 Å²	51	29.9 Å²	29.9	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-92.9	-54.4	174.2	-65	173.7	0	0	0	111.2	L157 N159 I164 A165 V289 H292	L157-L161 HydrophobicContact CD1-CD1 3.88Å; L157-L161 HydrophobicContact CD1-CG 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.03Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.65Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 3.13Å; L161-I164 VanDerWaalsContact O-CG2 3.31Å; L161-I164 WeakPolarHBondContact O-CG2 3.48Å; L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.99Å; L161-V289 HydrophobicContact CD2-CG2 4.09Å; L161-H292 PolarHBondContact O-NE2 3.31Å; L161-H292 VanDerWaalsContact O-NE2 3.08Å
162	L	94.9	Very high	94.4	Very high	54 Å²	54	28.7 Å²	28.7	28%	0.283	15%	0.145	S	C	.	.	H	α-helix	trans	-85.7	-20.6	-164.5	-65.3	173.2	0	0	0	114.1	Y158 R166 W180	Y158-L162 HydrophobicContact CD2-CD1 3.64Å; Y158-L162 HydrophobicContact CE2-CB 4.38Å; Y158-L162 HydrophobicContact CE2-CD1 3.59Å; Y158-L162 WeakPolarHBondContact O-CB 3.18Å; Y158-L162 PolarHBondContact O-N 3.3Å; L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 WeakPolarHBondContact O-CG 3.42Å; L162-R166 PolarHBondContact O-N 2.83Å; L162-R166 VanDerWaalsContact O-N 3.13Å; L162-R166 PolarHBondContact O-NE 3.28Å; L162-W180 HydrophobicContact CD1-CZ3 4.1Å
163	V	94.4	Very high	94.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.9	-45.6	174.5	-178.1	0	0	0	0	110.6	N159 R166 A167 R251 F252	N159-V163 HydrophobicContact CB-CG2 4.22Å; N159-V163 VanDerWaalsContact O-CB 3.26Å; N159-V163 WeakPolarHBondContact O-CB 3.43Å; N159-V163 VanDerWaalsContact O-CG2 3.29Å; N159-V163 WeakPolarHBondContact O-CG2 3.42Å; N159-V163 PolarHBondContact O-N 3.16Å; N159-V163 VanDerWaalsContact O-N 3.13Å; V163-R166 PolarHBondContact O-N 2.87Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 2.9Å; V163-R251 HydrophobicContact CG1-CB 4.02Å; V163-F252 HydrophobicContact CG1-CD1 3.71Å; V163-F252 HydrophobicContact CG1-CE1 4Å
164	I	95.6	Very high	93.8	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-42.8	177.5	-171.6	60.9	0	0	0	111.6	L161 R166 A167 C168 F252 W293 C296	L161-I164 VanDerWaalsContact O-CG2 3.31Å; L161-I164 WeakPolarHBondContact O-CG2 3.48Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.38Å; I164-A167 WeakPolarHBondContact O-CB 3.35Å; I164-A167 PolarHBondContact O-N 3.26Å; I164-A167 VanDerWaalsContact O-N 3.11Å; I164-C168 PolarHBondContact O-N 2.79Å; I164-C168 VanDerWaalsContact O-N 3.12Å; I164-F252 HydrophobicContact CD1-CE1 4.36Å; I164-F252 HydrophobicContact CD1-CZ 4.02Å; I164-W293 HydrophobicContact CB-CZ2 4.33Å; I164-W293 HydrophobicContact CG1-CD2 4.34Å; I164-W293 HydrophobicContact CG1-CE3 4.41Å; I164-W293 HydrophobicContact CG2-CD2 4.36Å; I164-W293 HydrophobicContact CG2-CG 4.49Å; I164-W293 HydrophobicContact CG2-CZ2 4.32Å; I164-C296 HydrophobicContact CG1-CB 3.95Å
165	A	95.2	Very high	93.4	Very high	4 Å²	4	32 Å²	32	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-42.3	175.9	0	0	0	0	0	112.6	L161 C168 F169 L172	L161-A165 WeakPolarHBondContact O-CB 3.5Å; L161-A165 PolarHBondContact O-N 2.99Å; A165-C168 PolarHBondContact O-N 3.04Å; A165-F169 WeakPolarHBondContact O-CB 3.27Å; A165-F169 WeakPolarHBondContact O-CD2 3.45Å; A165-F169 PolarHBondContact O-N 3.07Å; A165-L172 HydrophobicContact CB-CD2 4.06Å
166	R	94.2	Very high	93.1	Very high	2 Å²	2	36 Å²	36	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-72.6	-26.9	177.1	-71.4	175.9	-62.7	150.4	-13.3	113.4	Y158 L162 V163 I164 L172 Q173 D184 P248	Y158-R166 PolarHBondContact OH-NH2 3.17Å; L162-R166 WeakPolarHBondContact O-CB 3.34Å; L162-R166 WeakPolarHBondContact O-CG 3.42Å; L162-R166 PolarHBondContact O-N 2.83Å; L162-R166 VanDerWaalsContact O-N 3.13Å; L162-R166 PolarHBondContact O-NE 3.28Å; V163-R166 PolarHBondContact O-N 2.87Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.38Å; R166-L172 HydrophobicContact CG-CD2 3.8Å; R166-L172 HydrophobicContact CG-CG 4.05Å; R166-Q173 HydrophobicContact CB-CB 4.34Å; R166-D184 IonicContact CZ-OD1 2.69Å; R166-D184 IonicContact CZ-OD2 3.42Å; R166-D184 IonicContact NH1-OD1 2.85Å; R166-D184 PolarHBondContact NH1-OD1 3.41Å; R166-D184 IonicContact NH1-OD2 3.32Å; R166-D184 PolarHBondContact NH1-OD2 3.41Å; R166-D184 IonicContact NH2-OD1 3.15Å; R166-D184 PolarHBondContact NH2-OD1 2.88Å; R166-D184 IonicContact NH2-OD2 2.73Å; R166-D184 PolarHBondContact NH2-OD2 2.95Å; R166-P248 HydrophobicContact CB-CB 4.32Å; R166-P248 HydrophobicContact CB-CG 4.12Å; R166-P248 WeakPolarHBondContact O-CG 3.45Å
167	A	93.4	Very high	92.7	Very high	11 Å²	11	40.4 Å²	40.4	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-72.5	-29.2	175.2	0	0	0	0	0	113.5	V163 I164 Q249 F252	V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 2.9Å; I164-A167 WeakPolarHBondContact O-CB 3.35Å; I164-A167 PolarHBondContact O-N 3.26Å; I164-A167 VanDerWaalsContact O-N 3.11Å; A167-Q249 HydrophobicContact CB-CG 4.05Å; A167-Q249 PolarHBondContact O-NE2 2.99Å; A167-Q249 VanDerWaalsContact O-NE2 3.15Å; A167-F252 HydrophobicContact CB-CE1 3.76Å; A167-F252 HydrophobicContact CB-CZ 3.76Å
168	C	93.9	Very high	92.5	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-96	-41.9	179.3	-59.1	0	0	0	0	113	I164 A165 C296 Y299 A300	I164-C168 PolarHBondContact O-N 2.79Å; I164-C168 VanDerWaalsContact O-N 3.12Å; A165-C168 PolarHBondContact O-N 3.04Å; C168-C296 HydrophobicContact CB-CB 4.17Å; C168-C296 WeakPolarHBondContact CB-O 3.31Å; C168-C296 PolarHBondContact SG-O 3.05Å; C168-Y299 HydrophobicContact CB-CD1 4.39Å; C168-Y299 WeakPolarHBondContact O-CD1 3.36Å; C168-Y299 VanDerWaalsContact O-CE1 3.25Å; C168-Y299 WeakPolarHBondContact O-CE1 3.36Å; C168-A300 HydrophobicContact CB-CB 4.4Å
169	F	93.1	Very high	92.4	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.235	C	C	.	.			trans	-100.8	80.2	-175.1	-64.2	-85.6	0	0	0	112.4	A165 K171 L172 Y299 L325 Y329 C332	A165-F169 WeakPolarHBondContact O-CB 3.27Å; A165-F169 WeakPolarHBondContact O-CD2 3.45Å; A165-F169 PolarHBondContact O-N 3.07Å; F169-K171 PolarHBondContact O-N 3.46Å; F169-L172 HydrophobicContact CB-CB 4.3Å; F169-L172 WeakPolarHBondContact O-CB 3.17Å; F169-L172 PolarHBondContact O-N 3.33Å; F169-Y299 AromaticContact CD1-CD1 3.64Å; F169-Y299 HydrophobicContact CD1-CD1 3.64Å; F169-Y299 HydrophobicContact CD1-CD2 4.26Å; F169-Y299 AromaticContact CD1-CE1 3.54Å; F169-Y299 HydrophobicContact CD1-CE1 3.54Å; F169-Y299 HydrophobicContact CD1-CE2 4.16Å; F169-Y299 HydrophobicContact CD1-CG 4Å; F169-Y299 AromaticContact CD1-CZ 3.8Å; F169-Y299 AromaticContact CE1-CD1 3.57Å; F169-Y299 HydrophobicContact CE1-CD1 3.57Å; F169-Y299 AromaticContact CE1-CD2 3.57Å; F169-Y299 HydrophobicContact CE1-CD2 3.57Å; F169-Y299 AromaticContact CE1-CE1 3.84Å; F169-Y299 HydrophobicContact CE1-CE1 3.84Å; F169-Y299 AromaticContact CE1-CE2 3.83Å; F169-Y299 HydrophobicContact CE1-CE2 3.83Å; F169-Y299 AromaticContact CE1-CG 3.42Å; F169-Y299 HydrophobicContact CE1-CG 3.42Å; F169-Y299 VanDerWaalsContact CE1-CG 3.42Å; F169-Y299 AromaticContact CE1-CZ 3.95Å; F169-Y299 HydrophobicContact CE2-CD1 4.46Å; F169-Y299 HydrophobicContact CE2-CG 4.49Å; F169-Y299 HydrophobicContact CG-CD1 4.14Å; F169-Y299 HydrophobicContact CG-CE1 4.18Å; F169-Y299 HydrophobicContact CZ-CD1 4Å; F169-Y299 HydrophobicContact CZ-CD2 4.16Å; F169-Y299 AromaticContact CZ-CG 3.7Å; F169-Y299 HydrophobicContact CZ-CG 3.7Å; F169-L325 HydrophobicContact CB-CD1 3.84Å; F169-L325 HydrophobicContact CD1-CD1 4.03Å; F169-L325 HydrophobicContact CG-CD1 4.2Å; F169-Y329 HydrophobicContact CD2-CD2 4.47Å; F169-Y329 AromaticContact CE2-CD2 3.83Å; F169-Y329 HydrophobicContact CE2-CD2 3.83Å; F169-Y329 AromaticContact CZ-CD2 3.99Å; F169-Y329 HydrophobicContact CZ-CD2 3.99Å; F169-C332 HydrophobicContact CZ-CB 4.41Å
170	D	89.8	Confident	92.3	Very high	71 Å²	71	45.6 Å²	45.6	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-44.9	-41.4	-176.4	-55.3	2.1	0	0	0	114.5	L172 Q173 V174 K303	D170-L172 PolarHBondContact O-N 3.35Å; D170-Q173 PolarHBondContact O-N 3.28Å; D170-Q173 VanDerWaalsContact O-N 3.09Å; D170-V174 WeakPolarHBondContact O-CG2 3.15Å; D170-V174 PolarHBondContact O-N 3.44Å; D170-K303 IonicContact OD1-NZ 2.68Å; D170-K303 PolarHBondContact OD1-NZ 3.33Å; D170-K303 VanDerWaalsContact OD2-CE 3.29Å; D170-K303 WeakPolarHBondContact OD2-CE 3.38Å; D170-K303 IonicContact OD2-NZ 3.47Å; D170-K303 PolarHBondContact OD2-NZ 3.27Å
171	K	88.8	Confident	92.2	Very high	84 Å²	84	44 Å²	44	37%	0.365	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-31.8	179.2	-68.1	-179.2	177.5	174.5	0	112.5	F169 S175 S323 L325	F169-K171 PolarHBondContact O-N 3.46Å; K171-S175 VanDerWaalsContact O-CB 3.27Å; K171-S175 WeakPolarHBondContact O-CB 3.48Å; K171-S175 PolarHBondContact O-N 2.82Å; K171-S175 PolarHBondContact O-OG 3.26Å; K171-S323 PolarHBondContact NZ-O 2.83Å; K171-L325 HydrophobicContact CB-CD1 4.4Å
172	L	90.9	Very high	92.1	Very high	37 Å²	37	45.5 Å²	45.5	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-68.2	-45.9	175.2	-175.8	65.7	0	0	0	111.3	A165 R166 F169 D170 W180 L325	A165-L172 HydrophobicContact CB-CD2 4.06Å; R166-L172 HydrophobicContact CG-CD2 3.8Å; R166-L172 HydrophobicContact CG-CG 4.05Å; F169-L172 HydrophobicContact CB-CB 4.3Å; F169-L172 WeakPolarHBondContact O-CB 3.17Å; F169-L172 PolarHBondContact O-N 3.33Å; D170-L172 PolarHBondContact O-N 3.35Å; L172-W180 HydrophobicContact CD1-CZ2 3.75Å; L172-W180 HydrophobicContact CG-CZ2 4.08Å; L172-W180 PolarHBondContact O-NE1 2.89Å; L172-L325 HydrophobicContact CB-CD1 4.44Å; L172-L325 HydrophobicContact CB-CD2 3.98Å; L172-L325 HydrophobicContact CD1-CD2 4.08Å
173	Q	90.3	Very high	92.1	Very high	4 Å²	4	46 Å²	46	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-67.3	-48.9	179.1	176.8	66.3	-2.2	0	0	111.3	R166 D170 Y177 I245 P248	R166-Q173 HydrophobicContact CB-CB 4.34Å; D170-Q173 PolarHBondContact O-N 3.28Å; D170-Q173 VanDerWaalsContact O-N 3.09Å; Q173-Y177 WeakPolarHBondContact O-CA 3.21Å; Q173-Y177 VanDerWaalsContact O-CB 3.3Å; Q173-Y177 WeakPolarHBondContact O-CB 3.24Å; Q173-Y177 PolarHBondContact O-N 2.84Å; Q173-I245 PolarHBondContact NE2-O 2.85Å; Q173-P248 HydrophobicContact CG-CG 4.14Å
174	V	89.1	Confident	92.1	Very high	75 Å²	75	46 Å²	46	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-66.6	-43.8	-174.6	175.8	0	0	0	0	112	D170 I176	D170-V174 WeakPolarHBondContact O-CG2 3.15Å; D170-V174 PolarHBondContact O-N 3.44Å; V174-I176 VanDerWaalsContact C-N 3.31Å; V174-I176 PolarHBondContact O-N 2.71Å
175	S	88.1	Confident	92	Very high	93 Å²	93	51 Å²	51	65%	0.65	27%	0.269	S	S	*	.	H	α-helix	trans	-66.2	-27.3	-170.6	-56.1	0	0	0	0	114.5	K171	K171-S175 VanDerWaalsContact O-CB 3.27Å; K171-S175 WeakPolarHBondContact O-CB 3.48Å; K171-S175 PolarHBondContact O-N 2.82Å; K171-S175 PolarHBondContact O-OG 3.26Å
176	I	89.5	Confident	92	Very high	94 Å²	94	55.4 Å²	55.4	48%	0.482	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	30.7	-173.3	-27	-179.2	0	0	0	112.7	V174 I178 C179 W180	V174-I176 VanDerWaalsContact C-N 3.31Å; V174-I176 PolarHBondContact O-N 2.71Å; I176-I178 PolarHBondContact O-N 3.36Å; I176-C179 HydrophobicContact CB-CB 4.49Å; I176-C179 HydrophobicContact CG2-CB 3.6Å; I176-C179 WeakPolarHBondContact O-CB 3.28Å; I176-C179 PolarHBondContact O-N 3.32Å; I176-W180 PolarHBondContact O-N 3.21Å
177	Y	88.8	Confident	92.1	Very high	92 Å²	92	55.6 Å²	55.6	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-52.4	-33.8	-171.7	77.2	-89.6	0	0	0	114.8	Q173 C179 W180 L181 I245	Q173-Y177 WeakPolarHBondContact O-CA 3.21Å; Q173-Y177 VanDerWaalsContact O-CB 3.3Å; Q173-Y177 WeakPolarHBondContact O-CB 3.24Å; Q173-Y177 PolarHBondContact O-N 2.84Å; Y177-C179 PolarHBondContact O-N 2.64Å; Y177-W180 PolarHBondContact O-N 2.92Å; Y177-L181 HydrophobicContact CD2-CD1 4.13Å; Y177-L181 WeakPolarHBondContact O-CG 3.13Å; Y177-L181 PolarHBondContact O-N 3Å; Y177-I245 HydrophobicContact CD2-CG2 3.97Å
178	I	91.5	Very high	92.1	Very high	107 Å²	107	55.9 Å²	55.9	55%	0.549	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-41.1	178.3	-58	176	0	0	0	111.2	I176 L181 V182	I176-I178 PolarHBondContact O-N 3.36Å; I178-L181 PolarHBondContact O-N 3.49Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.12Å
179	C	93.6	Very high	92.2	Very high	60 Å²	60	59.2 Å²	59.2	41%	0.405	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-43.2	177	-170.2	0	0	0	0	110.6	I176 Y177 L181 V182 L183	I176-C179 HydrophobicContact CB-CB 4.49Å; I176-C179 HydrophobicContact CG2-CB 3.6Å; I176-C179 WeakPolarHBondContact O-CB 3.28Å; I176-C179 PolarHBondContact O-N 3.32Å; Y177-C179 PolarHBondContact O-N 2.64Å; C179-L181 PolarHBondContact O-N 3.37Å; C179-V182 PolarHBondContact O-N 2.81Å; C179-L183 WeakPolarHBondContact O-CG 3.15Å; C179-L183 PolarHBondContact O-N 3.38Å
180	W	93.4	Very high	92.3	Very high	30 Å²	30	60 Å²	60	11%	0.114	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-41	176.4	-59.6	137.6	0	0	0	112.9	L162 L172 I176 Y177 V182 L183 D184	L162-W180 HydrophobicContact CD1-CZ3 4.1Å; L172-W180 HydrophobicContact CD1-CZ2 3.75Å; L172-W180 HydrophobicContact CG-CZ2 4.08Å; L172-W180 PolarHBondContact O-NE1 2.89Å; I176-W180 PolarHBondContact O-N 3.21Å; Y177-W180 PolarHBondContact O-N 2.92Å; W180-V182 PolarHBondContact O-N 3.46Å; W180-L183 HydrophobicContact CE3-CD1 4.04Å; W180-L183 HydrophobicContact CZ3-CD1 4.04Å; W180-L183 PolarHBondContact O-N 2.87Å; W180-D184 VanDerWaalsContact O-CB 3.28Å; W180-D184 WeakPolarHBondContact O-CB 3.41Å; W180-D184 PolarHBondContact O-N 3.18Å
181	L	91.5	Very high	92.6	Very high	33 Å²	33	56.7 Å²	56.7	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-43.8	173.7	-73.7	175.5	0	0	0	112.2	Y177 I178 C179 Y185 I245	Y177-L181 HydrophobicContact CD2-CD1 4.13Å; Y177-L181 WeakPolarHBondContact O-CG 3.13Å; Y177-L181 PolarHBondContact O-N 3Å; I178-L181 PolarHBondContact O-N 3.49Å; C179-L181 PolarHBondContact O-N 3.37Å; L181-Y185 HydrophobicContact CB-CE2 4.42Å; L181-Y185 HydrophobicContact CD2-CE2 4.2Å; L181-Y185 WeakPolarHBondContact O-CD2 3.47Å; L181-Y185 PolarHBondContact O-N 3.43Å; L181-Y185 VanDerWaalsContact O-N 3.12Å; L181-I245 HydrophobicContact CD1-CG2 4.03Å; L181-I245 HydrophobicContact CD2-CG2 4.32Å; L181-I245 HydrophobicContact CG-CG2 4.4Å
182	V	94.4	Very high	92.9	Very high	82 Å²	82	57.2 Å²	57.2	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-46.4	178	171.3	0	0	0	0	111.3	I178 C179 W180 I186	I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.12Å; C179-V182 PolarHBondContact O-N 2.81Å; W180-V182 PolarHBondContact O-N 3.46Å; V182-I186 HydrophobicContact CG1-CD1 3.83Å; V182-I186 WeakPolarHBondContact O-CD1 3.47Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.47Å; V182-I186 PolarHBondContact O-N 2.66Å
183	L	94.9	Very high	93.1	Very high	64 Å²	64	59.6 Å²	59.6	34%	0.335	32%	0.318	S	S	.	.	H	α-helix	trans	-67.3	-40.1	179.9	-67.5	173.4	0	0	0	112.6	Y158 C179 W180 I186 S187	Y158-L183 HydrophobicContact CE2-CB 3.87Å; Y158-L183 HydrophobicContact CE2-CD1 4.11Å; Y158-L183 WeakPolarHBondContact OH-CB 3.37Å; C179-L183 WeakPolarHBondContact O-CG 3.15Å; C179-L183 PolarHBondContact O-N 3.38Å; W180-L183 HydrophobicContact CE3-CD1 4.04Å; W180-L183 HydrophobicContact CZ3-CD1 4.04Å; W180-L183 PolarHBondContact O-N 2.87Å; L183-I186 PolarHBondContact O-N 3.29Å; L183-S187 PolarHBondContact O-N 3.27Å
184	D	93.9	Very high	93.3	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-47.7	177.6	-71.2	-13.9	0	0	0	111.2	Y158 R166 W180 I186 S187 D188 R251	Y158-D184 VanDerWaalsContact CE1-OD1 3.29Å; Y158-D184 WeakPolarHBondContact CE1-OD1 3.19Å; Y158-D184 PolarHBondContact OH-OD1 3.43Å; R166-D184 IonicContact CZ-OD1 2.69Å; R166-D184 IonicContact CZ-OD2 3.42Å; R166-D184 IonicContact NH1-OD1 2.85Å; R166-D184 PolarHBondContact NH1-OD1 3.41Å; R166-D184 IonicContact NH1-OD2 3.32Å; R166-D184 PolarHBondContact NH1-OD2 3.41Å; R166-D184 IonicContact NH2-OD1 3.15Å; R166-D184 PolarHBondContact NH2-OD1 2.88Å; R166-D184 IonicContact NH2-OD2 2.73Å; R166-D184 PolarHBondContact NH2-OD2 2.95Å; W180-D184 VanDerWaalsContact O-CB 3.28Å; W180-D184 WeakPolarHBondContact O-CB 3.41Å; W180-D184 PolarHBondContact O-N 3.18Å; D184-I186 VanDerWaalsContact C-N 3.31Å; D184-I186 PolarHBondContact O-N 2.84Å; D184-S187 PolarHBondContact O-N 3.43Å; D184-S187 PolarHBondContact O-OG 2.91Å; D184-D188 PolarHBondContact O-N 2.82Å; D184-R251 VanDerWaalsContact CB-NH1 3.29Å; D184-R251 WeakPolarHBondContact OD2-CD 3.49Å; D184-R251 IonicContact OD2-CZ 3.8Å; D184-R251 IonicContact OD2-NE 2.66Å; D184-R251 IonicContact OD2-NH1 2.71Å; D184-R251 PolarHBondContact OD2-NH1 2.94Å
185	Y	93.4	Very high	93.4	Very high	115 Å²	115	56.9 Å²	56.9	45%	0.451	30%	0.303	S	S	.	.	H	α-helix	trans	-69.5	-25.5	178.3	-67.1	-48.8	0	0	0	113.5	L181 T189 R251	L181-Y185 HydrophobicContact CB-CE2 4.42Å; L181-Y185 HydrophobicContact CD2-CE2 4.2Å; L181-Y185 WeakPolarHBondContact O-CD2 3.47Å; L181-Y185 PolarHBondContact O-N 3.43Å; L181-Y185 VanDerWaalsContact O-N 3.12Å; Y185-T189 WeakPolarHBondContact O-CB 3.45Å; Y185-T189 PolarHBondContact O-N 3.32Å; Y185-T189 PolarHBondContact O-OG1 2.99Å; Y185-R251 VanDerWaalsContact CZ-NH2 3.34Å
186	I	95.7	Very high	93.6	Very high	96 Å²	96	57 Å²	57	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-43.7	167.2	-72.5	165.8	0	0	0	110.3	V182 L183 D184 T189 V190	V182-I186 HydrophobicContact CG1-CD1 3.83Å; V182-I186 WeakPolarHBondContact O-CD1 3.47Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.47Å; V182-I186 PolarHBondContact O-N 2.66Å; L183-I186 PolarHBondContact O-N 3.29Å; D184-I186 VanDerWaalsContact C-N 3.31Å; D184-I186 PolarHBondContact O-N 2.84Å; I186-T189 WeakPolarHBondContact O-CB 3.44Å; I186-T189 PolarHBondContact O-N 2.69Å; I186-V190 PolarHBondContact O-N 3.36Å
187	S	95.4	Very high	93.7	Very high	7 Å²	7	54 Å²	54	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-40.5	179.1	82.6	0	0	0	0	112.8	N159 L183 D184 T189 V190 Y191	N159-S187 PolarHBondContact ND2-OG 3.2Å; N159-S187 VanDerWaalsContact ND2-OG 3.12Å; L183-S187 PolarHBondContact O-N 3.27Å; D184-S187 PolarHBondContact O-N 3.43Å; D184-S187 PolarHBondContact O-OG 2.91Å; S187-T189 VanDerWaalsContact C-N 3.32Å; S187-T189 PolarHBondContact O-N 3.39Å; S187-V190 PolarHBondContact O-N 3.06Å; S187-Y191 WeakPolarHBondContact O-CD1 3.26Å; S187-Y191 PolarHBondContact O-N 3.45Å
188	D	94.9	Very high	93.7	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-40.3	171.8	-78	-32.5	0	0	0	111.4	D184 V190 Y191 I192 R254	D184-D188 PolarHBondContact O-N 2.82Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 3.16Å; D188-Y191 PolarHBondContact O-N 3.27Å; D188-Y191 VanDerWaalsContact O-N 3.17Å; D188-I192 WeakPolarHBondContact O-CG1 3.28Å; D188-I192 PolarHBondContact O-N 2.77Å; D188-R254 VanDerWaalsContact CG-NH2 3.31Å; D188-R254 IonicContact OD1-CZ 3.45Å; D188-R254 IonicContact OD1-NE 3.75Å; D188-R254 PolarHBondContact OD1-NE 3.28Å; D188-R254 IonicContact OD1-NH2 2.64Å; D188-R254 PolarHBondContact OD1-NH2 3.25Å; D188-R254 IonicContact OD2-CZ 2.91Å; D188-R254 IonicContact OD2-NE 2.66Å; D188-R254 IonicContact OD2-NH2 3.19Å; D188-R254 PolarHBondContact OD2-NH2 2.78Å
189	T	94.9	Very high	93.7	Very high	78 Å²	78	48.3 Å²	48.3	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-41	175.9	-59.7	0	0	0	0	111.2	Y185 I186 S187 I192 L193	Y185-T189 WeakPolarHBondContact O-CB 3.45Å; Y185-T189 PolarHBondContact O-N 3.32Å; Y185-T189 PolarHBondContact O-OG1 2.99Å; I186-T189 WeakPolarHBondContact O-CB 3.44Å; I186-T189 PolarHBondContact O-N 2.69Å; S187-T189 VanDerWaalsContact C-N 3.32Å; S187-T189 PolarHBondContact O-N 3.39Å; T189-I192 PolarHBondContact O-N 3.01Å; T189-L193 HydrophobicContact CG2-CD1 4.16Å; T189-L193 WeakPolarHBondContact O-CB 3.36Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.4Å; T189-L193 PolarHBondContact O-N 2.91Å
190	V	96.4	Very high	93.5	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.127	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-41.2	174.2	172.4	0	0	0	0	111.2	W148 V151 I152 A155 I186 S187 D188 L193 D194	W148-V190 HydrophobicContact CH2-CG1 4.27Å; W148-V190 HydrophobicContact CZ2-CG1 4.49Å; V151-V190 HydrophobicContact CG1-CG1 4.27Å; V151-V190 HydrophobicContact CG1-CG2 4.38Å; I152-V190 HydrophobicContact CG1-CG1 4.09Å; A155-V190 HydrophobicContact CB-CB 4.38Å; A155-V190 HydrophobicContact CB-CG1 4.1Å; I186-V190 PolarHBondContact O-N 3.36Å; S187-V190 PolarHBondContact O-N 3.06Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 3.16Å; V190-L193 PolarHBondContact O-N 2.94Å; V190-D194 WeakPolarHBondContact O-CB 3.22Å; V190-D194 PolarHBondContact O-N 3.14Å
191	Y	95.6	Very high	93.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-39.6	177.4	-73	9.4	0	0	0	112.6	A155 V156 N159 S187 D188 D194 S195 I233 R254 R257	A155-Y191 HydrophobicContact CB-CE1 4.02Å; V156-Y191 HydrophobicContact CG2-CE1 4.01Å; N159-Y191 PolarHBondContact ND2-OH 2.93Å; N159-Y191 VanDerWaalsContact ND2-OH 3.15Å; S187-Y191 WeakPolarHBondContact O-CD1 3.26Å; S187-Y191 PolarHBondContact O-N 3.45Å; D188-Y191 PolarHBondContact O-N 3.27Å; D188-Y191 VanDerWaalsContact O-N 3.17Å; Y191-D194 PolarHBondContact O-N 3.26Å; Y191-S195 PolarHBondContact O-N 2.76Å; Y191-S195 PolarHBondContact O-OG 2.95Å; Y191-I233 WeakPolarHBondContact O-CD1 3.47Å; Y191-R254 HydrophobicContact CD2-CG 4.36Å; Y191-R254 HydrophobicContact CE2-CB 3.96Å; Y191-R254 HydrophobicContact CE2-CG 3.96Å; Y191-R254 WeakPolarHBondContact CE2-O 3.48Å; Y191-R254 PolarHBondContact OH-O 3.37Å; Y191-R257 HydrophobicContact CD1-CG 4.1Å; Y191-R257 HydrophobicContact CD2-CB 4.31Å; Y191-R257 HydrophobicContact CD2-CG 4.15Å; Y191-R257 HydrophobicContact CE1-CB 4.24Å; Y191-R257 HydrophobicContact CE1-CG 3.84Å; Y191-R257 HydrophobicContact CE2-CB 3.65Å; Y191-R257 HydrophobicContact CE2-CG 3.88Å; Y191-R257 HydrophobicContact CG-CG 4.26Å; Y191-R257 PolarHBondContact O-NH2 2.9Å
192	I	94.9	Very high	93.1	Very high	96 Å²	96	46 Å²	46	49%	0.492	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-46.2	175.8	-68.7	164	0	0	0	110.7	D188 T189 D194 S195 F196 I233	D188-I192 WeakPolarHBondContact O-CG1 3.28Å; D188-I192 PolarHBondContact O-N 2.77Å; T189-I192 PolarHBondContact O-N 3.01Å; I192-D194 VanDerWaalsContact C-N 3.32Å; I192-D194 PolarHBondContact O-N 3.01Å; I192-S195 PolarHBondContact O-N 2.87Å; I192-F196 PolarHBondContact O-N 3.16Å; I192-I233 HydrophobicContact CD1-CG2 4.49Å; I192-I233 HydrophobicContact CG1-CD1 4.38Å; I192-I233 HydrophobicContact CG1-CG2 3.81Å
193	L	94	Very high	92.8	Very high	87 Å²	87	45.2 Å²	45.2	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-39.5	174.8	-71.5	171.2	0	0	0	111.7	W148 T189 V190 F196 V197	W148-L193 HydrophobicContact CH2-CB 3.71Å; W148-L193 HydrophobicContact CH2-CD1 4.14Å; W148-L193 HydrophobicContact CZ2-CB 3.72Å; T189-L193 HydrophobicContact CG2-CD1 4.16Å; T189-L193 WeakPolarHBondContact O-CB 3.36Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.4Å; T189-L193 PolarHBondContact O-N 2.91Å; V190-L193 PolarHBondContact O-N 2.94Å; L193-F196 WeakPolarHBondContact O-CB 3.1Å; L193-F196 PolarHBondContact O-N 2.7Å; L193-V197 WeakPolarHBondContact O-CG2 3.25Å; L193-V197 PolarHBondContact O-N 3.18Å
194	D	94.8	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-49.4	176.4	178.6	43.9	0	0	0	111.3	W148 I152 V190 Y191 I192 F196 V197 R198 R257 R260	W148-D194 HydrophobicContact CZ2-CB 4.27Å; I152-D194 HydrophobicContact CD1-CB 3.84Å; I152-D194 WeakPolarHBondContact CD1-OD1 3.27Å; I152-D194 HydrophobicContact CG1-CB 4.16Å; V190-D194 WeakPolarHBondContact O-CB 3.22Å; V190-D194 PolarHBondContact O-N 3.14Å; Y191-D194 PolarHBondContact O-N 3.26Å; I192-D194 VanDerWaalsContact C-N 3.32Å; I192-D194 PolarHBondContact O-N 3.01Å; D194-F196 PolarHBondContact O-N 3.2Å; D194-F196 VanDerWaalsContact O-N 3.16Å; D194-V197 PolarHBondContact O-N 3.33Å; D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.67Å; D194-R257 IonicContact OD2-CZ 3.82Å; D194-R257 IonicContact OD2-NE 2.78Å; D194-R257 PolarHBondContact OD2-NE 2.96Å; D194-R257 IonicContact OD2-NH2 3.56Å; D194-R257 PolarHBondContact OD2-NH2 2.88Å; D194-R260 IonicContact OD1-CZ 2.64Å; D194-R260 IonicContact OD1-NE 3.18Å; D194-R260 PolarHBondContact OD1-NE 3.16Å; D194-R260 IonicContact OD1-NH2 3.64Å; D194-R260 PolarHBondContact OD1-NH2 3.41Å; D194-R260 IonicContact OD2-CZ 2.84Å; D194-R260 IonicContact OD2-NE 3.18Å; D194-R260 PolarHBondContact OD2-NE 3.39Å; D194-R260 IonicContact OD2-NH2 2.69Å
195	S	92.5	Very high	92.2	Very high	21 Å²	21	51.9 Å²	51.9	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-32.3	176.3	-70.9	0	0	0	0	113	Y191 I192 L199 I233 R257	Y191-S195 PolarHBondContact O-N 2.76Å; Y191-S195 PolarHBondContact O-OG 2.95Å; I192-S195 PolarHBondContact O-N 2.87Å; S195-L199 WeakPolarHBondContact O-CD1 3.23Å; S195-L199 WeakPolarHBondContact O-CG 3.27Å; S195-L199 PolarHBondContact O-N 3.07Å; S195-I233 WeakPolarHBondContact OG-CD1 3.22Å; S195-R257 PolarHBondContact OG-NH2 3.28Å
196	F	91	Very high	91.9	Very high	96 Å²	96	55.8 Å²	55.8	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-71.4	-43.7	171.6	-178	-93.2	0	0	0	112.9	I192 L193 D194 R198 L199 R200	I192-F196 PolarHBondContact O-N 3.16Å; L193-F196 WeakPolarHBondContact O-CB 3.1Å; L193-F196 PolarHBondContact O-N 2.7Å; D194-F196 PolarHBondContact O-N 3.2Å; D194-F196 VanDerWaalsContact O-N 3.16Å; F196-R198 VanDerWaalsContact C-N 3.27Å; F196-R198 PolarHBondContact O-N 3.44Å; F196-L199 PolarHBondContact O-N 3.35Å; F196-R200 HydrophobicContact CE1-CG 4.27Å; F196-R200 HydrophobicContact CZ-CG 4.36Å; F196-R200 PolarHBondContact O-N 2.87Å
197	V	91.4	Very high	91.4	Very high	30 Å²	30	54.2 Å²	54.2	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-39.1	174.3	169.9	0	0	0	0	111	V138 Y145 L193 D194 R200 T201	V138-V197 HydrophobicContact CG2-CG1 4.41Å; Y145-V197 HydrophobicContact CD2-CG1 4.45Å; Y145-V197 HydrophobicContact CE2-CG1 4.45Å; L193-V197 WeakPolarHBondContact O-CG2 3.25Å; L193-V197 PolarHBondContact O-N 3.18Å; D194-V197 PolarHBondContact O-N 3.33Å; V197-R200 CarbonylContact O-C 3.55Å; V197-R200 VanDerWaalsContact O-C 3.23Å; V197-R200 WeakPolarHBondContact O-CA 3.38Å; V197-R200 PolarHBondContact O-N 3.12Å; V197-T201 PolarHBondContact O-N 3.29Å; V197-T201 PolarHBondContact O-OG1 3.25Å
198	R	90.3	Very high	91	Very high	24 Å²	24	60.3 Å²	60.3	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-69.2	-37.8	179.6	-63.1	-171.6	106.4	-141.4	-3.2	113.1	D194 F196 R200 T201 Y220 D229 E263	D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.67Å; F196-R198 VanDerWaalsContact C-N 3.27Å; F196-R198 PolarHBondContact O-N 3.44Å; R198-R200 PolarHBondContact O-N 3.33Å; R198-R200 VanDerWaalsContact O-N 3.1Å; R198-T201 WeakPolarHBondContact CA-OG1 3.33Å; R198-T201 PolarHBondContact O-N 2.96Å; R198-T201 VanDerWaalsContact O-N 3.17Å; R198-Y220 HydrophobicContact CB-CD2 4.44Å; R198-Y220 HydrophobicContact CB-CE1 4.12Å; R198-Y220 HydrophobicContact CB-CE2 3.9Å; R198-D229 IonicContact CZ-OD2 3.68Å; R198-D229 IonicContact NH1-OD2 2.74Å; R198-D229 PolarHBondContact NH1-OD2 2.94Å; R198-E263 IonicContact NH2-OE2 2.7Å; R198-E263 PolarHBondContact NH2-OE2 3.23Å
199	L	90.4	Very high	90.6	Very high	56 Å²	56	62 Å²	62	29%	0.293	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.4	167.7	-75.2	162.5	0	0	0	113.8	S195 F196 R217 Y220	S195-L199 WeakPolarHBondContact O-CD1 3.23Å; S195-L199 WeakPolarHBondContact O-CG 3.27Å; S195-L199 PolarHBondContact O-N 3.07Å; F196-L199 PolarHBondContact O-N 3.35Å; L199-R217 HydrophobicContact CD2-CB 4.38Å; L199-R217 HydrophobicContact CD2-CG 3.91Å; L199-Y220 HydrophobicContact CD2-CD1 3.72Å; L199-Y220 HydrophobicContact CD2-CE1 4.16Å; L199-Y220 HydrophobicContact CG-CD1 3.93Å; L199-Y220 HydrophobicContact CG-CE1 3.95Å
200	R	88.9	Confident	90.3	Very high	48 Å²	48	58.9 Å²	58.9	18%	0.181	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	8.6	178.7	-64	-57.1	-167.7	130.7	-9.3	113.7	E134 L136 V137 V138 F196 V197 R198 H213	E134-R200 PolarHBondContact O-NH1 2.75Å; L136-R200 PolarHBondContact O-NH1 3.03Å; V137-R200 CarbonylContact C-O 3.57Å; V137-R200 WeakPolarHBondContact CA-O 3.3Å; V138-R200 PolarHBondContact N-O 2.85Å; F196-R200 HydrophobicContact CE1-CG 4.27Å; F196-R200 HydrophobicContact CZ-CG 4.36Å; F196-R200 PolarHBondContact O-N 2.87Å; V197-R200 CarbonylContact O-C 3.55Å; V197-R200 VanDerWaalsContact O-C 3.23Å; V197-R200 WeakPolarHBondContact O-CA 3.38Å; V197-R200 PolarHBondContact O-N 3.12Å; R198-R200 PolarHBondContact O-N 3.33Å; R198-R200 VanDerWaalsContact O-N 3.1Å; R200-H213 PolarHBondContact NH1-CE1 3.09Å
201	T	89.9	Confident	89.8	Confident	24 Å²	24	64.3 Å²	64.3	15%	0.147	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-85.9	124.1	-179.7	-62.2	0	0	0	0	109.2	V138 P140 Y145 V197 R198	V138-T201 WeakPolarHBondContact O-CA 3.27Å; P140-T201 HydrophobicContact CG-CG2 3.98Å; Y145-T201 HydrophobicContact CD2-CG2 4.49Å; Y145-T201 HydrophobicContact CE2-CG2 3.92Å; V197-T201 PolarHBondContact O-N 3.29Å; V197-T201 PolarHBondContact O-OG1 3.25Å; R198-T201 WeakPolarHBondContact CA-OG1 3.33Å; R198-T201 PolarHBondContact O-N 2.96Å; R198-T201 VanDerWaalsContact O-N 3.17Å
202	G	87.6	Confident	89.4	Confident	4 Å²	4	68.3 Å²	68.3	4%	0.041	35%	0.354	C	S	.	.			trans	-68.5	157.4	179.1	0	0	0	0	0	112.8	V138 P140	V138-G202 PolarHBondContact O-N 3.47Å; P140-G202 VanDerWaalsContact CD-O 3.27Å; P140-G202 WeakPolarHBondContact CD-O 3.46Å; P140-G202 WeakPolarHBondContact CG-O 3.27Å
203	F	88.3	Confident	89	Confident	65 Å²	65	67 Å²	67	29%	0.285	35%	0.345	S	S	.	.			trans	-129.8	161.1	168	66.9	-96.8	0	0	0	110.7	E205 V210 K215 L216	F203-E205 HydrophobicContact CD2-CB 4.49Å; F203-E205 HydrophobicContact CE2-CB 4.1Å; F203-V210 HydrophobicContact CD2-CG2 4.13Å; F203-V210 HydrophobicContact CE1-CB 4.45Å; F203-V210 HydrophobicContact CE1-CG1 4.38Å; F203-V210 HydrophobicContact CE2-CB 4.34Å; F203-V210 HydrophobicContact CE2-CG2 3.8Å; F203-V210 HydrophobicContact CZ-CB 4.31Å; F203-V210 HydrophobicContact CZ-CG1 4.27Å; F203-V210 HydrophobicContact CZ-CG2 4.12Å; F203-V210 PolarHBondContact O-N 3.15Å; F203-K215 HydrophobicContact CE1-CB 4.41Å; F203-K215 HydrophobicContact CZ-CB 4.34Å; F203-L216 HydrophobicContact CD1-CD2 3.52Å; F203-L216 HydrophobicContact CE1-CD2 3.71Å
204	L	88.2	Confident	88.7	Confident	124 Å²	124	65 Å²	65	65%	0.649	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.5	178.9	-67.5	169.1	0	0	0	110.3	L208 L209	L204-L208 WeakPolarHBondContact CA-O 3.43Å; L204-L209 HydrophobicContact CD2-CB 4.32Å
205	E	87.1	Confident	88.4	Confident	81 Å²	81	69.1 Å²	69.1	38%	0.379	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	172.3	-169.6	177	-156.2	0	0	106.8	F203 G207 L208 V210 K215	F203-E205 HydrophobicContact CD2-CB 4.49Å; F203-E205 HydrophobicContact CE2-CB 4.1Å; E205-G207 PolarHBondContact O-N 3.19Å; E205-G207 VanDerWaalsContact O-N 3.09Å; E205-L208 PolarHBondContact N-O 3.44Å; E205-L208 PolarHBondContact O-N 3.14Å; E205-V210 HydrophobicContact CB-CG2 3.34Å; E205-V210 HydrophobicContact CG-CG2 4.35Å; E205-V210 VanDerWaalsContact OE2-CG2 3.26Å; E205-V210 WeakPolarHBondContact OE2-CG2 3.13Å; E205-K215 IonicContact OE1-NZ 3.19Å; E205-K215 PolarHBondContact OE1-NZ 2.74Å; E205-K215 IonicContact OE2-NZ 2.74Å; E205-K215 PolarHBondContact OE2-NZ 2.75Å
206	Q	88.4	Confident	88.3	Confident	197 Å²	197	68.3 Å²	68.3	92%	0.921	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	27.6	-175.2	-57.6	178.4	-39	0	0	114.6	L208	Q206-L208 VanDerWaalsContact C-N 3.31Å
207	G	83.8	Confident	88.3	Confident	63 Å²	63	69.3 Å²	69.3	65%	0.649	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-4.2	-177	0	0	0	0	0	115	E205	E205-G207 PolarHBondContact O-N 3.19Å; E205-G207 VanDerWaalsContact O-N 3.09Å
208	L	87	Confident	88.2	Confident	135 Å²	135	71 Å²	71	71%	0.707	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	140	174.4	-63	177	0	0	0	110.8	L204 E205 Q206 V210	L204-L208 WeakPolarHBondContact CA-O 3.43Å; E205-L208 PolarHBondContact N-O 3.44Å; E205-L208 PolarHBondContact O-N 3.14Å; Q206-L208 VanDerWaalsContact C-N 3.31Å; L208-V210 PolarHBondContact O-N 3.38Å
209	L	87.5	Confident	88.2	Confident	51 Å²	51	72.3 Å²	72.3	27%	0.267	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.5	176.4	-177.1	67.4	0	0	0	110.3	L204 K211	L204-L209 HydrophobicContact CD2-CB 4.32Å; L209-K211 PolarHBondContact O-N 3.23Å
210	V	88.5	Confident	88.2	Confident	13 Å²	13	70.7 Å²	70.7	8%	0.079	37%	0.365	C	S	.	.			trans	-66.6	129	175	-178.6	0	0	0	0	109.6	F203 E205 L208 D212 K215 L216	F203-V210 HydrophobicContact CD2-CG2 4.13Å; F203-V210 HydrophobicContact CE1-CB 4.45Å; F203-V210 HydrophobicContact CE1-CG1 4.38Å; F203-V210 HydrophobicContact CE2-CB 4.34Å; F203-V210 HydrophobicContact CE2-CG2 3.8Å; F203-V210 HydrophobicContact CZ-CB 4.31Å; F203-V210 HydrophobicContact CZ-CG1 4.27Å; F203-V210 HydrophobicContact CZ-CG2 4.12Å; F203-V210 PolarHBondContact O-N 3.15Å; E205-V210 HydrophobicContact CB-CG2 3.34Å; E205-V210 HydrophobicContact CG-CG2 4.35Å; E205-V210 VanDerWaalsContact OE2-CG2 3.26Å; E205-V210 WeakPolarHBondContact OE2-CG2 3.13Å; L208-V210 PolarHBondContact O-N 3.38Å; V210-D212 HydrophobicContact CG1-CB 4.4Å; V210-K215 HydrophobicContact CG1-CB 3.9Å; V210-K215 HydrophobicContact CG1-CD 3.83Å; V210-K215 HydrophobicContact CG1-CG 4.5Å; V210-L216 HydrophobicContact CB-CD2 4.26Å; V210-L216 HydrophobicContact CG1-CD2 4.08Å
211	K	85.3	Confident	88.4	Confident	136 Å²	136	71.7 Å²	71.7	59%	0.591	37%	0.373	S	S	*	.			trans	-116.9	-3.7	177.6	-61.7	-174.9	-177.9	-177.7	0	113.8	V137 L209 H213	V137-K211 HydrophobicContact CB-CG 4.42Å; V137-K211 HydrophobicContact CG1-CG 4.23Å; V137-K211 HydrophobicContact CG2-CB 4.1Å; V137-K211 WeakPolarHBondContact CG2-O 3.22Å; L209-K211 PolarHBondContact O-N 3.23Å; K211-H213 PolarHBondContact O-CE1 3.07Å; K211-H213 PolarHBondContact O-N 3.27Å; K211-H213 PolarHBondContact O-ND1 2.99Å
212	D	87.8	Confident	88.5	Confident	84 Å²	84	80.8 Å²	80.8	45%	0.449	41%	0.405	S	S	.	.			trans	-71.1	112.6	177.5	173.2	10.3	0	0	0	111.6	V210 A214 K215 L216	V210-D212 HydrophobicContact CG1-CB 4.4Å; D212-A214 PolarHBondContact O-N 2.82Å; D212-A214 VanDerWaalsContact O-N 3.17Å; D212-A214 WeakPolarHBondContact OD1-CB 3.22Å; D212-A214 PolarHBondContact OD1-N 3.36Å; D212-K215 HydrophobicContact CB-CB 4.33Å; D212-K215 HydrophobicContact CB-CG 4.42Å; D212-K215 PolarHBondContact O-N 3.22Å; D212-K215 VanDerWaalsContact O-N 3.13Å; D212-L216 WeakPolarHBondContact O-CG 3.11Å; D212-L216 PolarHBondContact O-N 2.84Å
213	H	86	Confident	88.7	Confident	68 Å²	68	83.6 Å²	83.6	32%	0.315	42%	0.421	S	S	.	.	H	α-helix	trans	-59.7	-27.1	-176.8	-42.8	-39	0	0	0	113.9	E134 R200 K211 R217	E134-H213 PolarHBondContact O-CE1 2.88Å; E134-H213 PolarHBondContact O-NE2 2.87Å; R200-H213 PolarHBondContact NH1-CE1 3.09Å; K211-H213 PolarHBondContact O-CE1 3.07Å; K211-H213 PolarHBondContact O-N 3.27Å; K211-H213 PolarHBondContact O-ND1 2.99Å; H213-R217 VanDerWaalsContact O-CB 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.39Å; H213-R217 PolarHBondContact O-N 2.57Å
214	A	88.4	Confident	88.9	Confident	44 Å²	44	86.2 Å²	86.2	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-51.2	175.2	0	0	0	0	0	110.3	D212 L216 R217 D218	D212-A214 PolarHBondContact O-N 2.82Å; D212-A214 VanDerWaalsContact O-N 3.17Å; D212-A214 WeakPolarHBondContact OD1-CB 3.22Å; D212-A214 PolarHBondContact OD1-N 3.36Å; A214-L216 PolarHBondContact O-N 3.33Å; A214-R217 PolarHBondContact O-N 2.87Å; A214-D218 WeakPolarHBondContact O-CB 3.18Å; A214-D218 VanDerWaalsContact O-CG 3.29Å; A214-D218 PolarHBondContact O-N 3.36Å
215	K	89.2	Confident	89	Confident	88 Å²	88	82.2 Å²	82.2	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-57.4	-45.1	173.3	-74.9	-168.3	175.6	-156.2	0	112.4	F203 E205 V210 D212 D218 S219	F203-K215 HydrophobicContact CE1-CB 4.41Å; F203-K215 HydrophobicContact CZ-CB 4.34Å; E205-K215 IonicContact OE1-NZ 3.19Å; E205-K215 PolarHBondContact OE1-NZ 2.74Å; E205-K215 IonicContact OE2-NZ 2.74Å; E205-K215 PolarHBondContact OE2-NZ 2.75Å; V210-K215 HydrophobicContact CG1-CB 3.9Å; V210-K215 HydrophobicContact CG1-CD 3.83Å; V210-K215 HydrophobicContact CG1-CG 4.5Å; D212-K215 HydrophobicContact CB-CB 4.33Å; D212-K215 HydrophobicContact CB-CG 4.42Å; D212-K215 PolarHBondContact O-N 3.22Å; D212-K215 VanDerWaalsContact O-N 3.13Å; K215-D218 PolarHBondContact O-N 3.49Å; K215-S219 VanDerWaalsContact O-CB 3.23Å; K215-S219 WeakPolarHBondContact O-CB 3.28Å; K215-S219 PolarHBondContact O-N 3.35Å
216	L	89.8	Confident	89.2	Confident	4 Å²	4	81 Å²	81	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-61.2	-50.1	-179.4	-60.8	-170.8	0	0	0	111.8	V137 F203 V210 D212 A214 D218 Y220	V137-L216 HydrophobicContact CG1-CD1 3.81Å; V137-L216 HydrophobicContact CG2-CD1 4.19Å; F203-L216 HydrophobicContact CD1-CD2 3.52Å; F203-L216 HydrophobicContact CE1-CD2 3.71Å; V210-L216 HydrophobicContact CB-CD2 4.26Å; V210-L216 HydrophobicContact CG1-CD2 4.08Å; D212-L216 WeakPolarHBondContact O-CG 3.11Å; D212-L216 PolarHBondContact O-N 2.84Å; A214-L216 PolarHBondContact O-N 3.33Å; L216-D218 PolarHBondContact O-N 2.88Å; L216-Y220 WeakPolarHBondContact O-CB 3.32Å; L216-Y220 PolarHBondContact O-N 3.14Å
217	R	90.1	Very high	89.5	Confident	117 Å²	117	77.8 Å²	77.8	44%	0.442	39%	0.392	S	S	.	.	H	α-helix	trans	-58.9	-48.6	177.4	-178.1	-163.2	69	-157.3	-7.3	111.6	L199 H213 A214 S219 Y220 I221	L199-R217 HydrophobicContact CD2-CB 4.38Å; L199-R217 HydrophobicContact CD2-CG 3.91Å; H213-R217 VanDerWaalsContact O-CB 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.39Å; H213-R217 PolarHBondContact O-N 2.57Å; A214-R217 PolarHBondContact O-N 2.87Å; R217-S219 VanDerWaalsContact C-N 3.34Å; R217-S219 PolarHBondContact O-N 2.7Å; R217-Y220 PolarHBondContact O-N 3.25Å; R217-I221 HydrophobicContact CG-CD1 3.63Å; R217-I221 HydrophobicContact CG-CG1 4.3Å; R217-I221 WeakPolarHBondContact O-CB 3.29Å; R217-I221 WeakPolarHBondContact O-CG1 3.46Å; R217-I221 PolarHBondContact O-N 2.8Å
218	D	90.6	Very high	90	Very high	66 Å²	66	76.9 Å²	76.9	35%	0.353	37%	0.372	S	S	.	.	H	α-helix	trans	-75.4	-26	-171.5	-67	-5.5	0	0	0	112.6	A214 K215 L216 R222	A214-D218 WeakPolarHBondContact O-CB 3.18Å; A214-D218 VanDerWaalsContact O-CG 3.29Å; A214-D218 PolarHBondContact O-N 3.36Å; K215-D218 PolarHBondContact O-N 3.49Å; L216-D218 PolarHBondContact O-N 2.88Å; D218-R222 VanDerWaalsContact O-CD 3.27Å; D218-R222 WeakPolarHBondContact O-CD 3.49Å; D218-R222 VanDerWaalsContact O-CG 3.24Å; D218-R222 WeakPolarHBondContact O-CG 3.09Å
219	S	89.8	Confident	90.3	Very high	51 Å²	51	70.5 Å²	70.5	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-51.1	166.7	-175.5	0	0	0	0	111.3	K215 R217 R222 T223	K215-S219 VanDerWaalsContact O-CB 3.23Å; K215-S219 WeakPolarHBondContact O-CB 3.28Å; K215-S219 PolarHBondContact O-N 3.35Å; R217-S219 VanDerWaalsContact C-N 3.34Å; R217-S219 PolarHBondContact O-N 2.7Å; S219-R222 PolarHBondContact O-N 3.37Å; S219-T223 PolarHBondContact O-OG1 2.8Å; S219-T223 VanDerWaalsContact O-OG1 3.12Å
220	Y	90.6	Very high	90.6	Very high	21 Å²	21	71.1 Å²	71.1	8%	0.082	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-47	-179.3	177.3	-126.2	0	0	0	113	R198 L199 L216 R217 R222 T223 F226 D229	R198-Y220 HydrophobicContact CB-CD2 4.44Å; R198-Y220 HydrophobicContact CB-CE1 4.12Å; R198-Y220 HydrophobicContact CB-CE2 3.9Å; L199-Y220 HydrophobicContact CD2-CD1 3.72Å; L199-Y220 HydrophobicContact CD2-CE1 4.16Å; L199-Y220 HydrophobicContact CG-CD1 3.93Å; L199-Y220 HydrophobicContact CG-CE1 3.95Å; L216-Y220 WeakPolarHBondContact O-CB 3.32Å; L216-Y220 PolarHBondContact O-N 3.14Å; R217-Y220 PolarHBondContact O-N 3.25Å; Y220-R222 PolarHBondContact O-N 3.43Å; Y220-T223 VanDerWaalsContact O-CB 3.28Å; Y220-T223 WeakPolarHBondContact O-CB 3.42Å; Y220-T223 PolarHBondContact O-N 3.06Å; Y220-F226 AromaticContact CD1-CD2 4Å; Y220-F226 HydrophobicContact CD1-CD2 4Å; Y220-F226 HydrophobicContact CD2-CB 4.34Å; Y220-F226 HydrophobicContact CE1-CB 4.36Å; Y220-F226 AromaticContact CE1-CD2 3.48Å; Y220-F226 HydrophobicContact CE1-CD2 3.48Å; Y220-F226 VanDerWaalsContact CE1-CD2 3.48Å; Y220-F226 HydrophobicContact CE1-CE2 4.21Å; Y220-F226 HydrophobicContact CE1-CG 4.31Å; Y220-F226 HydrophobicContact CE2-CB 4.09Å; Y220-F226 AromaticContact CZ-CD2 3.84Å; Y220-F226 WeakPolarHBondContact O-CB 3.48Å; Y220-D229 PolarHBondContact OH-OD2 3.22Å; Y220-D229 VanDerWaalsContact OH-OD2 3.05Å
221	I	92.8	Very high	90.9	Very high	70 Å²	70	73.5 Å²	73.5	36%	0.359	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-30.7	-178.1	-72.7	178.6	0	0	0	112.8	R217 T223 F226	R217-I221 HydrophobicContact CG-CD1 3.63Å; R217-I221 HydrophobicContact CG-CG1 4.3Å; R217-I221 WeakPolarHBondContact O-CB 3.29Å; R217-I221 WeakPolarHBondContact O-CG1 3.46Å; R217-I221 PolarHBondContact O-N 2.8Å; I221-T223 VanDerWaalsContact C-N 3.27Å; I221-T223 PolarHBondContact O-N 3.28Å; I221-F226 HydrophobicContact CB-CD1 4.17Å; I221-F226 HydrophobicContact CB-CE1 4.25Å; I221-F226 HydrophobicContact CG1-CD1 4.15Å; I221-F226 HydrophobicContact CG1-CE1 3.93Å; I221-F226 HydrophobicContact CG1-CE2 4.31Å; I221-F226 HydrophobicContact CG1-CG 4.44Å; I221-F226 HydrophobicContact CG1-CZ 4.01Å; I221-F226 HydrophobicContact CG2-CD1 4.13Å; I221-F226 HydrophobicContact CG2-CE1 3.98Å
222	R	91.4	Very high	91.3	Very high	215 Å²	215	67 Å²	67	81%	0.811	33%	0.331	S	S	*	.	H	α-helix	trans	-72.4	-20.1	176.4	-71.3	171.4	-175.2	-123.1	-0	113.2	D218 S219 Y220	D218-R222 VanDerWaalsContact O-CD 3.27Å; D218-R222 WeakPolarHBondContact O-CD 3.49Å; D218-R222 VanDerWaalsContact O-CG 3.24Å; D218-R222 WeakPolarHBondContact O-CG 3.09Å; S219-R222 PolarHBondContact O-N 3.37Å; Y220-R222 PolarHBondContact O-N 3.43Å
223	T	92.4	Very high	91.5	Very high	62 Å²	62	65.1 Å²	65.1	38%	0.38	32%	0.32	S	S	.	.	S	Bend	trans	-79.1	138.5	-173.5	-56.5	0	0	0	0	110.7	S219 Y220 I221 Q225 F226	S219-T223 PolarHBondContact O-OG1 2.8Å; S219-T223 VanDerWaalsContact O-OG1 3.12Å; Y220-T223 VanDerWaalsContact O-CB 3.28Å; Y220-T223 WeakPolarHBondContact O-CB 3.42Å; Y220-T223 PolarHBondContact O-N 3.06Å; I221-T223 VanDerWaalsContact C-N 3.27Å; I221-T223 PolarHBondContact O-N 3.28Å; T223-Q225 HydrophobicContact CG2-CB 3.99Å; T223-Q225 PolarHBondContact O-N 3.09Å; T223-Q225 VanDerWaalsContact O-N 3.11Å; T223-F226 WeakPolarHBondContact O-CB 3.31Å; T223-F226 PolarHBondContact O-N 3.27Å
224	L	91.6	Very high	91.9	Very high	121 Å²	121	65.9 Å²	65.9	63%	0.634	33%	0.326	S	S	*	.	H	α-helix	trans	-53.7	-35	177.6	177.1	60.8	0	0	0	112.3	F226 K227 L228	L224-F226 VanDerWaalsContact C-N 3.29Å; L224-F226 PolarHBondContact O-N 3.4Å; L224-K227 HydrophobicContact CD1-CD 4.3Å; L224-K227 WeakPolarHBondContact O-CB 3.47Å; L224-K227 PolarHBondContact O-N 3.15Å; L224-L228 PolarHBondContact O-N 3.11Å
225	Q	90.4	Very high	91.9	Very high	39 Å²	39	67.5 Å²	67.5	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-32.1	179.1	-148.2	178	11.8	0	0	112.9	T223 K227 L228 D229 P259	T223-Q225 HydrophobicContact CG2-CB 3.99Å; T223-Q225 PolarHBondContact O-N 3.09Å; T223-Q225 VanDerWaalsContact O-N 3.11Å; Q225-K227 VanDerWaalsContact C-N 3.29Å; Q225-K227 PolarHBondContact O-N 2.89Å; Q225-L228 PolarHBondContact O-N 3.38Å; Q225-D229 VanDerWaalsContact O-CB 3.25Å; Q225-D229 WeakPolarHBondContact O-CB 3.46Å; Q225-D229 PolarHBondContact O-N 2.95Å; Q225-P259 HydrophobicContact CG-CB 4.23Å
226	F	92.8	Very high	91.9	Very high	55 Å²	55	65.4 Å²	65.4	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-37	172.1	170.7	-111.9	0	0	0	111.8	Y220 I221 T223 L224 D229 V230	Y220-F226 AromaticContact CD1-CD2 4Å; Y220-F226 HydrophobicContact CD1-CD2 4Å; Y220-F226 HydrophobicContact CD2-CB 4.34Å; Y220-F226 HydrophobicContact CE1-CB 4.36Å; Y220-F226 AromaticContact CE1-CD2 3.48Å; Y220-F226 HydrophobicContact CE1-CD2 3.48Å; Y220-F226 VanDerWaalsContact CE1-CD2 3.48Å; Y220-F226 HydrophobicContact CE1-CE2 4.21Å; Y220-F226 HydrophobicContact CE1-CG 4.31Å; Y220-F226 HydrophobicContact CE2-CB 4.09Å; Y220-F226 AromaticContact CZ-CD2 3.84Å; Y220-F226 WeakPolarHBondContact O-CB 3.48Å; I221-F226 HydrophobicContact CB-CD1 4.17Å; I221-F226 HydrophobicContact CB-CE1 4.25Å; I221-F226 HydrophobicContact CG1-CD1 4.15Å; I221-F226 HydrophobicContact CG1-CE1 3.93Å; I221-F226 HydrophobicContact CG1-CE2 4.31Å; I221-F226 HydrophobicContact CG1-CG 4.44Å; I221-F226 HydrophobicContact CG1-CZ 4.01Å; I221-F226 HydrophobicContact CG2-CD1 4.13Å; I221-F226 HydrophobicContact CG2-CE1 3.98Å; T223-F226 WeakPolarHBondContact O-CB 3.31Å; T223-F226 PolarHBondContact O-N 3.27Å; L224-F226 VanDerWaalsContact C-N 3.29Å; L224-F226 PolarHBondContact O-N 3.4Å; F226-D229 PolarHBondContact O-N 2.62Å; F226-V230 HydrophobicContact CD2-CG2 4.01Å; F226-V230 HydrophobicContact CE1-CG2 4.17Å; F226-V230 HydrophobicContact CE2-CG2 3.54Å; F226-V230 HydrophobicContact CZ-CG2 3.63Å; F226-V230 WeakPolarHBondContact O-CB 3.47Å; F226-V230 VanDerWaalsContact O-CG2 3.32Å; F226-V230 WeakPolarHBondContact O-CG2 3.5Å; F226-V230 PolarHBondContact O-N 2.9Å
227	K	93.7	Very high	91.7	Very high	130 Å²	130	65.7 Å²	65.7	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-43.3	177.3	-54.7	-178.9	-178.1	177.3	0	111.1	L224 Q225 V230 V231	L224-K227 HydrophobicContact CD1-CD 4.3Å; L224-K227 WeakPolarHBondContact O-CB 3.47Å; L224-K227 PolarHBondContact O-N 3.15Å; Q225-K227 VanDerWaalsContact C-N 3.29Å; Q225-K227 PolarHBondContact O-N 2.89Å; K227-V230 PolarHBondContact O-N 2.95Å; K227-V231 WeakPolarHBondContact O-CG2 3.34Å; K227-V231 PolarHBondContact O-N 3.46Å
228	L	94.2	Very high	91.6	Very high	45 Å²	45	65.5 Å²	65.5	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-42.9	173.7	-61.1	176.4	0	0	0	111.7	L224 Q225 V230 V231 S232 P259	L224-L228 PolarHBondContact O-N 3.11Å; Q225-L228 PolarHBondContact O-N 3.38Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 2.93Å; L228-V231 PolarHBondContact O-N 3.24Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.36Å; L228-S232 PolarHBondContact O-OG 2.99Å; L228-P259 HydrophobicContact CD1-CG 4.07Å
229	D	93.6	Very high	91.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-29.1	-179.4	-71.9	-5.3	0	0	0	112	R198 Y220 Q225 F226 S232 I233 R257	R198-D229 IonicContact CZ-OD2 3.68Å; R198-D229 IonicContact NH1-OD2 2.74Å; R198-D229 PolarHBondContact NH1-OD2 2.94Å; Y220-D229 PolarHBondContact OH-OD2 3.22Å; Y220-D229 VanDerWaalsContact OH-OD2 3.05Å; Q225-D229 VanDerWaalsContact O-CB 3.25Å; Q225-D229 WeakPolarHBondContact O-CB 3.46Å; Q225-D229 PolarHBondContact O-N 2.95Å; F226-D229 PolarHBondContact O-N 2.62Å; D229-S232 WeakPolarHBondContact CA-OG 3.31Å; D229-S232 PolarHBondContact O-OG 3.09Å; D229-S232 VanDerWaalsContact O-OG 3.09Å; D229-I233 VanDerWaalsContact O-CD1 3.3Å; D229-I233 WeakPolarHBondContact O-CD1 3.25Å; D229-I233 WeakPolarHBondContact O-CG1 3.22Å; D229-R257 VanDerWaalsContact CA-NH1 3.33Å; D229-R257 VanDerWaalsContact CG-CZ 3.46Å; D229-R257 PolarHBondContact O-NH1 3.24Å; D229-R257 WeakPolarHBondContact OD1-CD 3.27Å; D229-R257 IonicContact OD1-CZ 2.67Å; D229-R257 IonicContact OD1-NE 3.6Å; D229-R257 PolarHBondContact OD1-NE 2.98Å; D229-R257 IonicContact OD1-NH1 3.74Å; D229-R257 IonicContact OD2-CZ 3.27Å; D229-R257 IonicContact OD2-NH2 3.83Å
230	V	94	Very high	91.3	Very high	65 Å²	65	63.8 Å²	63.8	39%	0.394	32%	0.324	S	S	.	.	H	α-helix	trans	-74.1	-50.3	169.9	168.1	0	0	0	0	111.8	F226 K227 L228 S232 I233 L234	F226-V230 HydrophobicContact CD2-CG2 4.01Å; F226-V230 HydrophobicContact CE1-CG2 4.17Å; F226-V230 HydrophobicContact CE2-CG2 3.54Å; F226-V230 HydrophobicContact CZ-CG2 3.63Å; F226-V230 WeakPolarHBondContact O-CB 3.47Å; F226-V230 VanDerWaalsContact O-CG2 3.32Å; F226-V230 WeakPolarHBondContact O-CG2 3.5Å; F226-V230 PolarHBondContact O-N 2.9Å; K227-V230 PolarHBondContact O-N 2.95Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 2.93Å; V230-S232 VanDerWaalsContact C-N 3.26Å; V230-S232 PolarHBondContact O-N 3.32Å; V230-I233 PolarHBondContact O-N 3.48Å; V230-L234 PolarHBondContact O-N 3.01Å
231	V	94.8	Very high	91.1	Very high	62 Å²	62	70.2 Å²	70.2	38%	0.376	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-35.3	-178.4	178	0	0	0	0	111.4	K227 L228 I233 L234 N253 L256	K227-V231 WeakPolarHBondContact O-CG2 3.34Å; K227-V231 PolarHBondContact O-N 3.46Å; L228-V231 PolarHBondContact O-N 3.24Å; V231-I233 PolarHBondContact O-N 2.91Å; V231-L234 HydrophobicContact CB-CD1 4.45Å; V231-L234 HydrophobicContact CG1-CD1 4.24Å; V231-L234 HydrophobicContact CG2-CD1 4.49Å; V231-L234 PolarHBondContact O-N 2.9Å; V231-N253 PolarHBondContact O-ND2 3.42Å; V231-L256 HydrophobicContact CB-CD1 4.02Å; V231-L256 HydrophobicContact CG1-CD1 3.51Å
232	S	94	Very high	90.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.4	175.8	59	0	0	0	0	115.5	L228 D229 V230 N253 R254 R257	L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.36Å; L228-S232 PolarHBondContact O-OG 2.99Å; D229-S232 WeakPolarHBondContact CA-OG 3.31Å; D229-S232 PolarHBondContact O-OG 3.09Å; D229-S232 VanDerWaalsContact O-OG 3.09Å; V230-S232 VanDerWaalsContact C-N 3.26Å; V230-S232 PolarHBondContact O-N 3.32Å; S232-N253 WeakPolarHBondContact CA-O 3.32Å; S232-R254 WeakPolarHBondContact O-CD 3.47Å; S232-R257 PolarHBondContact OG-NH1 2.82Å
233	I	92.3	Very high	90.5	Very high	44 Å²	44	69.9 Å²	69.9	23%	0.226	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.2	179.7	-68.8	173.1	0	0	0	111.9	Y191 I192 S195 D229 V230 V231	Y191-I233 WeakPolarHBondContact O-CD1 3.47Å; I192-I233 HydrophobicContact CD1-CG2 4.49Å; I192-I233 HydrophobicContact CG1-CD1 4.38Å; I192-I233 HydrophobicContact CG1-CG2 3.81Å; S195-I233 WeakPolarHBondContact OG-CD1 3.22Å; D229-I233 VanDerWaalsContact O-CD1 3.3Å; D229-I233 WeakPolarHBondContact O-CD1 3.25Å; D229-I233 WeakPolarHBondContact O-CG1 3.22Å; V230-I233 PolarHBondContact O-N 3.48Å; V231-I233 PolarHBondContact O-N 2.91Å
234	L	92.8	Very high	90.1	Very high	84 Å²	84	68.4 Å²	68.4	44%	0.44	36%	0.358	S	S	.	.			trans	-56.8	126.8	178.7	-69.5	174.8	0	0	0	111.1	V230 V231 T236 N253 R254	V230-L234 PolarHBondContact O-N 3.01Å; V231-L234 HydrophobicContact CB-CD1 4.45Å; V231-L234 HydrophobicContact CG1-CD1 4.24Å; V231-L234 HydrophobicContact CG2-CD1 4.49Å; V231-L234 PolarHBondContact O-N 2.9Å; L234-T236 PolarHBondContact O-N 2.97Å; L234-N253 PolarHBondContact O-ND2 2.94Å; L234-R254 PolarHBondContact O-NH1 3.3Å
235	P	89.4	Confident	89.6	Confident	79 Å²	79	65.9 Å²	65.9	51%	0.513	34%	0.344	S	S	.	.			trans	-81.1	61.7	-174.6	34.6	-37.6	0	0	0	111.4	D237 L238	P235-D237 PolarHBondContact O-N 3.13Å; P235-D237 VanDerWaalsContact O-N 3.14Å; P235-L238 HydrophobicContact CB-CD1 4.14Å; P235-L238 HydrophobicContact CB-CG 4.26Å; P235-L238 HydrophobicContact CG-CD1 4Å; P235-L238 WeakPolarHBondContact O-CG 3.48Å; P235-L238 PolarHBondContact O-N 2.66Å; P235-L238 VanDerWaalsContact O-N 3.15Å
236	T	89.8	Confident	89.3	Confident	43 Å²	43	68.9 Å²	68.9	26%	0.264	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-55.8	-26.6	175.3	49.4	0	0	0	0	112.4	L234 L238 V239 L250 N253 R254	L234-T236 PolarHBondContact O-N 2.97Å; T236-L238 PolarHBondContact O-N 2.86Å; T236-L238 VanDerWaalsContact O-N 3.11Å; T236-V239 VanDerWaalsContact O-CB 3.23Å; T236-V239 WeakPolarHBondContact O-CB 3.5Å; T236-V239 VanDerWaalsContact O-CG2 3.3Å; T236-V239 WeakPolarHBondContact O-CG2 3.46Å; T236-V239 PolarHBondContact O-N 2.59Å; T236-L250 WeakPolarHBondContact CB-O 3.35Å; T236-L250 PolarHBondContact OG1-O 2.95Å; T236-N253 PolarHBondContact OG1-OD1 2.85Å; T236-R254 PolarHBondContact OG1-NH1 2.79Å
237	D	85.6	Confident	89.1	Confident	10 Å²	10	68 Å²	68	5%	0.053	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-57	-21.3	176.4	-44.7	-10.4	0	0	0	114.2	P235 V239 Y240 R251 R254	P235-D237 PolarHBondContact O-N 3.13Å; P235-D237 VanDerWaalsContact O-N 3.14Å; D237-V239 PolarHBondContact O-N 2.93Å; D237-Y240 HydrophobicContact CB-CD2 3.91Å; D237-Y240 HydrophobicContact CB-CE2 3.71Å; D237-Y240 WeakPolarHBondContact O-CB 3.38Å; D237-Y240 WeakPolarHBondContact O-CD2 2.73Å; D237-Y240 PolarHBondContact O-N 3.43Å; D237-R251 VanDerWaalsContact CG-NH2 3.34Å; D237-R251 WeakPolarHBondContact OD1-CG 3.4Å; D237-R251 IonicContact OD1-NE 2.73Å; D237-R251 PolarHBondContact OD1-NE 2.68Å; D237-R251 IonicContact OD2-CZ 3.53Å; D237-R251 IonicContact OD2-NE 3.42Å; D237-R251 PolarHBondContact OD2-NE 2.71Å; D237-R251 IonicContact OD2-NH2 2.68Å; D237-R251 PolarHBondContact OD2-NH2 3.49Å; D237-R254 VanDerWaalsContact CG-NH2 3.27Å; D237-R254 IonicContact OD1-CZ 2.7Å; D237-R254 IonicContact OD1-NH1 3.78Å; D237-R254 PolarHBondContact OD1-NH1 3.18Å; D237-R254 IonicContact OD1-NH2 2.62Å; D237-R254 PolarHBondContact OD1-NH2 2.98Å; D237-R254 IonicContact OD2-CZ 3.68Å; D237-R254 IonicContact OD2-NH1 2.9Å; D237-R254 IonicContact OD2-NH2 3.91Å; D237-R254 PolarHBondContact OD2-NH2 2.95Å
238	L	86.1	Confident	88.8	Confident	114 Å²	114	62 Å²	62	60%	0.597	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-59.6	-24.3	172.5	-66.3	173.3	0	0	0	111.6	P235 T236 Y240 I241	P235-L238 HydrophobicContact CB-CD1 4.14Å; P235-L238 HydrophobicContact CB-CG 4.26Å; P235-L238 HydrophobicContact CG-CD1 4Å; P235-L238 WeakPolarHBondContact O-CG 3.48Å; P235-L238 PolarHBondContact O-N 2.66Å; P235-L238 VanDerWaalsContact O-N 3.15Å; T236-L238 PolarHBondContact O-N 2.86Å; T236-L238 VanDerWaalsContact O-N 3.11Å; L238-Y240 PolarHBondContact O-N 3.27Å; L238-I241 WeakPolarHBondContact O-CB 3.31Å; L238-I241 WeakPolarHBondContact O-CG1 3.08Å; L238-I241 PolarHBondContact O-N 3.01Å
239	V	89.5	Confident	88.7	Confident	65 Å²	65	63.6 Å²	63.6	39%	0.394	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.6	173.8	179	0	0	0	0	112.2	T236 D237 I241 Y242 T243 L250	T236-V239 VanDerWaalsContact O-CB 3.23Å; T236-V239 WeakPolarHBondContact O-CB 3.5Å; T236-V239 VanDerWaalsContact O-CG2 3.3Å; T236-V239 WeakPolarHBondContact O-CG2 3.46Å; T236-V239 PolarHBondContact O-N 2.59Å; D237-V239 PolarHBondContact O-N 2.93Å; V239-I241 PolarHBondContact O-N 2.81Å; V239-I241 VanDerWaalsContact O-N 3.07Å; V239-Y242 WeakPolarHBondContact O-CA 3.35Å; V239-Y242 PolarHBondContact O-N 2.94Å; V239-T243 HydrophobicContact CG1-CG2 3.67Å; V239-T243 PolarHBondContact O-N 3.48Å; V239-T243 PolarHBondContact O-OG1 3.16Å; V239-L250 HydrophobicContact CB-CD1 3.96Å; V239-L250 HydrophobicContact CG1-CD1 3.88Å; V239-L250 HydrophobicContact CG1-CD2 4.34Å
240	Y	85.8	Confident	88.6	Confident	16 Å²	16	66.2 Å²	66.2	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-21	172.3	-63.3	-28.3	0	0	0	113.6	D237 L238 Y242 G244 T247 L250 R251	D237-Y240 HydrophobicContact CB-CD2 3.91Å; D237-Y240 HydrophobicContact CB-CE2 3.71Å; D237-Y240 WeakPolarHBondContact O-CB 3.38Å; D237-Y240 WeakPolarHBondContact O-CD2 2.73Å; D237-Y240 PolarHBondContact O-N 3.43Å; L238-Y240 PolarHBondContact O-N 3.27Å; Y240-Y242 PolarHBondContact O-N 3.08Å; Y240-G244 VanDerWaalsContact O-CA 3.22Å; Y240-G244 WeakPolarHBondContact O-CA 3.34Å; Y240-G244 PolarHBondContact O-N 3.13Å; Y240-T247 WeakPolarHBondContact CE1-O 3.39Å; Y240-L250 HydrophobicContact CD1-CD1 3.75Å; Y240-L250 HydrophobicContact CE1-CB 4.12Å; Y240-L250 HydrophobicContact CE1-CD1 3.78Å; Y240-R251 WeakPolarHBondContact OH-CD 3.32Å
241	I	85.2	Confident	88.5	Confident	156 Å²	156	63.3 Å²	63.3	80%	0.8	33%	0.334	S	S	*	.	H	α-helix	trans	-64.1	-26.9	173.4	-60.3	171.7	0	0	0	110.9	L238 V239	L238-I241 WeakPolarHBondContact O-CB 3.31Å; L238-I241 WeakPolarHBondContact O-CG1 3.08Å; L238-I241 PolarHBondContact O-N 3.01Å; V239-I241 PolarHBondContact O-N 2.81Å; V239-I241 VanDerWaalsContact O-N 3.07Å
242	Y	87.6	Confident	88.5	Confident	216 Å²	216	64.3 Å²	64.3	85%	0.847	33%	0.333	S	S	*	.	H	α-helix	trans	-104.8	-42.6	178.2	-174.9	-99.3	0	0	0	113.1	V239 Y240	V239-Y242 WeakPolarHBondContact O-CA 3.35Å; V239-Y242 PolarHBondContact O-N 2.94Å; Y240-Y242 PolarHBondContact O-N 3.08Å
243	T	84.8	Confident	88.5	Confident	62 Å²	62	65.3 Å²	65.3	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-90.6	-10.7	-176.6	59.3	0	0	0	0	114.7	V239 T247 L250	V239-T243 HydrophobicContact CG1-CG2 3.67Å; V239-T243 PolarHBondContact O-N 3.48Å; V239-T243 PolarHBondContact O-OG1 3.16Å; T243-T247 PolarHBondContact OG1-OG1 3.46Å; T243-L250 WeakPolarHBondContact OG1-CD1 3.19Å
244	G	83.5	Confident	88.6	Confident	31 Å²	31	63.4 Å²	63.4	32%	0.32	33%	0.328	S	S	.	.			trans	81.2	153	-174.9	0	0	0	0	0	114.2	Y240 H246 T247	Y240-G244 VanDerWaalsContact O-CA 3.22Å; Y240-G244 WeakPolarHBondContact O-CA 3.34Å; Y240-G244 PolarHBondContact O-N 3.13Å; G244-H246 PolarHBondContact O-N 3.16Å; G244-T247 PolarHBondContact O-N 3.46Å; G244-T247 PolarHBondContact O-OG1 3.26Å
245	I	82.2	Confident	88.6	Confident	67 Å²	67	60.2 Å²	60.2	34%	0.344	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.4	-172.7	-60.8	170.8	0	0	0	113.3	Q173 Y177 L181 T247	Q173-I245 PolarHBondContact NE2-O 2.85Å; Y177-I245 HydrophobicContact CD2-CG2 3.97Å; L181-I245 HydrophobicContact CD1-CG2 4.03Å; L181-I245 HydrophobicContact CD2-CG2 4.32Å; L181-I245 HydrophobicContact CG-CG2 4.4Å; I245-T247 VanDerWaalsContact C-N 3.28Å; I245-T247 PolarHBondContact O-N 2.91Å
246	H	84.3	Confident	88.9	Confident	103 Å²	103	59.3 Å²	59.3	48%	0.477	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	17.2	-178.8	-54.9	-57.6	0	0	0	114.1	G244 P248	G244-H246 PolarHBondContact O-N 3.16Å; H246-P248 WeakPolarHBondContact O-CD 3.48Å
247	T	87.6	Confident	89.1	Confident	37 Å²	37	57.3 Å²	57.3	23%	0.227	29%	0.29	C	S	.	.			trans	-113.3	56.8	-176.5	53.3	0	0	0	0	114.5	Y240 T243 G244 I245 Q249 L250	Y240-T247 WeakPolarHBondContact CE1-O 3.39Å; T243-T247 PolarHBondContact OG1-OG1 3.46Å; G244-T247 PolarHBondContact O-N 3.46Å; G244-T247 PolarHBondContact O-OG1 3.26Å; I245-T247 VanDerWaalsContact C-N 3.28Å; I245-T247 PolarHBondContact O-N 2.91Å; T247-Q249 VanDerWaalsContact CA-OE1 3.28Å; T247-Q249 PolarHBondContact O-N 3.12Å; T247-Q249 PolarHBondContact O-OE1 2.83Å; T247-L250 PolarHBondContact O-N 3.34Å
248	P	88.8	Confident	89.4	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.013	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.7	-9.4	-171.5	29.3	-37.1	0	0	0	115.2	R166 Q173 H246 L250 R251	R166-P248 HydrophobicContact CB-CB 4.32Å; R166-P248 HydrophobicContact CB-CG 4.12Å; R166-P248 WeakPolarHBondContact O-CG 3.45Å; Q173-P248 HydrophobicContact CG-CG 4.14Å; H246-P248 WeakPolarHBondContact O-CD 3.48Å; P248-L250 PolarHBondContact O-N 2.98Å; P248-L250 VanDerWaalsContact O-N 3.17Å; P248-R251 PolarHBondContact O-N 3.11Å
249	Q	90.8	Very high	89.7	Confident	80 Å²	80	55.9 Å²	55.9	37%	0.374	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.3	172.3	-59.6	78	9.4	0	0	112	A167 T247 R251 F252	A167-Q249 HydrophobicContact CB-CG 4.05Å; A167-Q249 PolarHBondContact O-NE2 2.99Å; A167-Q249 VanDerWaalsContact O-NE2 3.15Å; T247-Q249 VanDerWaalsContact CA-OE1 3.28Å; T247-Q249 PolarHBondContact O-N 3.12Å; T247-Q249 PolarHBondContact O-OE1 2.83Å; Q249-R251 PolarHBondContact O-N 3.27Å; Q249-R251 VanDerWaalsContact O-N 3.13Å; Q249-F252 HydrophobicContact CB-CE2 4.49Å; Q249-F252 HydrophobicContact CB-CZ 4.45Å; Q249-F252 HydrophobicContact CG-CZ 4.46Å; Q249-F252 WeakPolarHBondContact O-CB 3.26Å; Q249-F252 WeakPolarHBondContact O-CG 3.42Å; Q249-F252 PolarHBondContact O-N 3.17Å; Q249-F252 VanDerWaalsContact O-N 3.16Å
250	L	90.9	Very high	89.9	Confident	54 Å²	54	52.8 Å²	52.8	28%	0.283	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18.9	178.3	-68	167.8	0	0	0	113.6	T236 V239 Y240 T243 T247 P248 N253	T236-L250 WeakPolarHBondContact CB-O 3.35Å; T236-L250 PolarHBondContact OG1-O 2.95Å; V239-L250 HydrophobicContact CB-CD1 3.96Å; V239-L250 HydrophobicContact CG1-CD1 3.88Å; V239-L250 HydrophobicContact CG1-CD2 4.34Å; Y240-L250 HydrophobicContact CD1-CD1 3.75Å; Y240-L250 HydrophobicContact CE1-CB 4.12Å; Y240-L250 HydrophobicContact CE1-CD1 3.78Å; T243-L250 WeakPolarHBondContact OG1-CD1 3.19Å; T247-L250 PolarHBondContact O-N 3.34Å; P248-L250 PolarHBondContact O-N 2.98Å; P248-L250 VanDerWaalsContact O-N 3.17Å; L250-N253 PolarHBondContact O-OD1 3.4Å
251	R	92.9	Very high	90.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.015	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-86.7	2	177.4	-78.8	-179.7	167.7	153	-5.3	114.7	V163 D184 Y185 D237 Y240 P248 Q249 N253 R254	V163-R251 HydrophobicContact CG1-CB 4.02Å; D184-R251 VanDerWaalsContact CB-NH1 3.29Å; D184-R251 WeakPolarHBondContact OD2-CD 3.49Å; D184-R251 IonicContact OD2-CZ 3.8Å; D184-R251 IonicContact OD2-NE 2.66Å; D184-R251 IonicContact OD2-NH1 2.71Å; D184-R251 PolarHBondContact OD2-NH1 2.94Å; Y185-R251 VanDerWaalsContact CZ-NH2 3.34Å; D237-R251 VanDerWaalsContact CG-NH2 3.34Å; D237-R251 WeakPolarHBondContact OD1-CG 3.4Å; D237-R251 IonicContact OD1-NE 2.73Å; D237-R251 PolarHBondContact OD1-NE 2.68Å; D237-R251 IonicContact OD2-CZ 3.53Å; D237-R251 IonicContact OD2-NE 3.42Å; D237-R251 PolarHBondContact OD2-NE 2.71Å; D237-R251 IonicContact OD2-NH2 2.68Å; D237-R251 PolarHBondContact OD2-NH2 3.49Å; Y240-R251 WeakPolarHBondContact OH-CD 3.32Å; P248-R251 PolarHBondContact O-N 3.11Å; Q249-R251 PolarHBondContact O-N 3.27Å; Q249-R251 VanDerWaalsContact O-N 3.13Å; R251-N253 PolarHBondContact O-N 3.45Å; R251-N253 PolarHBondContact O-OD1 3.01Å; R251-R254 PolarHBondContact O-N 3.32Å
252	F	93.8	Very high	90.6	Very high	83 Å²	83	49.5 Å²	49.5	36%	0.364	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-57.4	-20.7	178.8	-73.9	-3.1	0	0	0	114.2	V163 I164 A167 Q249 R254 L255	V163-F252 HydrophobicContact CG1-CD1 3.71Å; V163-F252 HydrophobicContact CG1-CE1 4Å; I164-F252 HydrophobicContact CD1-CE1 4.36Å; I164-F252 HydrophobicContact CD1-CZ 4.02Å; A167-F252 HydrophobicContact CB-CE1 3.76Å; A167-F252 HydrophobicContact CB-CZ 3.76Å; Q249-F252 HydrophobicContact CB-CE2 4.49Å; Q249-F252 HydrophobicContact CB-CZ 4.45Å; Q249-F252 HydrophobicContact CG-CZ 4.46Å; Q249-F252 WeakPolarHBondContact O-CB 3.26Å; Q249-F252 WeakPolarHBondContact O-CG 3.42Å; Q249-F252 PolarHBondContact O-N 3.17Å; Q249-F252 VanDerWaalsContact O-N 3.16Å; F252-R254 PolarHBondContact O-N 2.84Å; F252-L255 HydrophobicContact CB-CD1 4.2Å; F252-L255 HydrophobicContact CD1-CD1 4.15Å; F252-L255 HydrophobicContact CG-CD1 4.3Å; F252-L255 WeakPolarHBondContact O-CB 3.5Å; F252-L255 WeakPolarHBondContact O-CG 3.42Å; F252-L255 PolarHBondContact O-N 3.16Å
253	N	94.2	Very high	90.9	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.112	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.9	-29.6	173.6	68.5	-45.8	0	0	0	113.6	V231 S232 L234 T236 L250 R251 L255 L256	V231-N253 PolarHBondContact O-ND2 3.42Å; S232-N253 WeakPolarHBondContact CA-O 3.32Å; L234-N253 PolarHBondContact O-ND2 2.94Å; T236-N253 PolarHBondContact OG1-OD1 2.85Å; L250-N253 PolarHBondContact O-OD1 3.4Å; R251-N253 PolarHBondContact O-N 3.45Å; R251-N253 PolarHBondContact O-OD1 3.01Å; N253-L255 PolarHBondContact O-N 2.99Å; N253-L256 WeakPolarHBondContact O-CB 3.17Å; N253-L256 WeakPolarHBondContact O-CG 3.44Å; N253-L256 PolarHBondContact O-N 3.28Å
254	R	94.1	Very high	91.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.015	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.1	179.2	-82.8	59	169.5	-141.9	-16.3	113.5	D188 Y191 S232 L234 T236 D237 R251 F252 L256 R257	D188-R254 VanDerWaalsContact CG-NH2 3.31Å; D188-R254 IonicContact OD1-CZ 3.45Å; D188-R254 IonicContact OD1-NE 3.75Å; D188-R254 PolarHBondContact OD1-NE 3.28Å; D188-R254 IonicContact OD1-NH2 2.64Å; D188-R254 PolarHBondContact OD1-NH2 3.25Å; D188-R254 IonicContact OD2-CZ 2.91Å; D188-R254 IonicContact OD2-NE 2.66Å; D188-R254 IonicContact OD2-NH2 3.19Å; D188-R254 PolarHBondContact OD2-NH2 2.78Å; Y191-R254 HydrophobicContact CD2-CG 4.36Å; Y191-R254 HydrophobicContact CE2-CB 3.96Å; Y191-R254 HydrophobicContact CE2-CG 3.96Å; Y191-R254 WeakPolarHBondContact CE2-O 3.48Å; Y191-R254 PolarHBondContact OH-O 3.37Å; S232-R254 WeakPolarHBondContact O-CD 3.47Å; L234-R254 PolarHBondContact O-NH1 3.3Å; T236-R254 PolarHBondContact OG1-NH1 2.79Å; D237-R254 VanDerWaalsContact CG-NH2 3.27Å; D237-R254 IonicContact OD1-CZ 2.7Å; D237-R254 IonicContact OD1-NH1 3.78Å; D237-R254 PolarHBondContact OD1-NH1 3.18Å; D237-R254 IonicContact OD1-NH2 2.62Å; D237-R254 PolarHBondContact OD1-NH2 2.98Å; D237-R254 IonicContact OD2-CZ 3.68Å; D237-R254 IonicContact OD2-NH1 2.9Å; D237-R254 IonicContact OD2-NH2 3.91Å; D237-R254 PolarHBondContact OD2-NH2 2.95Å; R251-R254 PolarHBondContact O-N 3.32Å; F252-R254 PolarHBondContact O-N 2.84Å; R254-L256 PolarHBondContact O-N 2.9Å; R254-R257 PolarHBondContact O-N 2.87Å
255	L	94.3	Very high	91.9	Very high	18 Å²	18	38 Å²	38	9%	0.094	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-68.8	-23.9	179.4	-56.7	173.9	0	0	0	112.3	N159 W160 F252 N253 R257 F258 W293	N159-L255 WeakPolarHBondContact O-CD2 3.46Å; W160-L255 HydrophobicContact CG-CD2 4.16Å; W160-L255 PolarHBondContact NE1-O 3.1Å; F252-L255 HydrophobicContact CB-CD1 4.2Å; F252-L255 HydrophobicContact CD1-CD1 4.15Å; F252-L255 HydrophobicContact CG-CD1 4.3Å; F252-L255 WeakPolarHBondContact O-CB 3.5Å; F252-L255 WeakPolarHBondContact O-CG 3.42Å; F252-L255 PolarHBondContact O-N 3.16Å; N253-L255 PolarHBondContact O-N 2.99Å; L255-R257 PolarHBondContact O-N 3.04Å; L255-R257 VanDerWaalsContact O-N 3.09Å; L255-F258 PolarHBondContact O-N 2.86Å; L255-W293 HydrophobicContact CD1-CH2 3.88Å; L255-W293 HydrophobicContact CD1-CZ2 4.12Å
256	L	94.9	Very high	92.3	Very high	60 Å²	60	39.7 Å²	39.7	31%	0.314	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-65.8	-9.8	179.4	-60.4	176.1	0	0	0	114.2	V231 N253 R254 F258 P259	V231-L256 HydrophobicContact CB-CD1 4.02Å; V231-L256 HydrophobicContact CG1-CD1 3.51Å; N253-L256 WeakPolarHBondContact O-CB 3.17Å; N253-L256 WeakPolarHBondContact O-CG 3.44Å; N253-L256 PolarHBondContact O-N 3.28Å; R254-L256 PolarHBondContact O-N 2.9Å; L256-F258 PolarHBondContact O-N 3.34Å; L256-P259 VanDerWaalsContact O-CD 3.23Å; L256-P259 WeakPolarHBondContact O-CD 3.21Å
257	R	94.3	Very high	92.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-78	1.5	178.7	-158.2	54.5	160.5	-121.3	14.3	113.8	V156 Y191 D194 S195 D229 S232 R254 L255 P259 R260	V156-R257 HydrophobicContact CG2-CB 4.13Å; V156-R257 HydrophobicContact CG2-CG 4.05Å; Y191-R257 HydrophobicContact CD1-CG 4.1Å; Y191-R257 HydrophobicContact CD2-CB 4.31Å; Y191-R257 HydrophobicContact CD2-CG 4.15Å; Y191-R257 HydrophobicContact CE1-CB 4.24Å; Y191-R257 HydrophobicContact CE1-CG 3.84Å; Y191-R257 HydrophobicContact CE2-CB 3.65Å; Y191-R257 HydrophobicContact CE2-CG 3.88Å; Y191-R257 HydrophobicContact CG-CG 4.26Å; Y191-R257 PolarHBondContact O-NH2 2.9Å; D194-R257 IonicContact OD2-CZ 3.82Å; D194-R257 IonicContact OD2-NE 2.78Å; D194-R257 PolarHBondContact OD2-NE 2.96Å; D194-R257 IonicContact OD2-NH2 3.56Å; D194-R257 PolarHBondContact OD2-NH2 2.88Å; S195-R257 PolarHBondContact OG-NH2 3.28Å; D229-R257 VanDerWaalsContact CA-NH1 3.33Å; D229-R257 VanDerWaalsContact CG-CZ 3.46Å; D229-R257 PolarHBondContact O-NH1 3.24Å; D229-R257 WeakPolarHBondContact OD1-CD 3.27Å; D229-R257 IonicContact OD1-CZ 2.67Å; D229-R257 IonicContact OD1-NE 3.6Å; D229-R257 PolarHBondContact OD1-NE 2.98Å; D229-R257 IonicContact OD1-NH1 3.74Å; D229-R257 IonicContact OD2-CZ 3.27Å; D229-R257 IonicContact OD2-NH2 3.83Å; S232-R257 PolarHBondContact OG-NH1 2.82Å; R254-R257 PolarHBondContact O-N 2.87Å; L255-R257 PolarHBondContact O-N 3.04Å; L255-R257 VanDerWaalsContact O-N 3.09Å; R257-P259 VanDerWaalsContact C-N 3.28Å; R257-P259 WeakPolarHBondContact O-CD 3.42Å; R257-P259 VanDerWaalsContact O-N 3.1Å; R257-R260 HydrophobicContact CG-CG 4.16Å; R257-R260 PolarHBondContact O-N 3.31Å; R257-R260 VanDerWaalsContact O-N 3.12Å
258	F	91.3	Very high	93	Very high	69 Å²	69	36.1 Å²	36.1	30%	0.303	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-31.9	178.5	76.9	-97.7	0	0	0	116.1	W160 L255 L256 R260 M261 F262	W160-F258 HydrophobicContact CZ2-CB 4.03Å; W160-F258 HydrophobicContact CZ2-CD1 4.35Å; W160-F258 HydrophobicContact CZ2-CG 4.35Å; L255-F258 PolarHBondContact O-N 2.86Å; L256-F258 PolarHBondContact O-N 3.34Å; F258-R260 PolarHBondContact O-N 3.47Å; F258-R260 VanDerWaalsContact O-N 3.12Å; F258-M261 WeakPolarHBondContact O-CB 3.44Å; F258-M261 PolarHBondContact O-N 2.86Å; F258-F262 AromaticContact CD2-CD2 3.76Å; F258-F262 HydrophobicContact CD2-CD2 3.76Å; F258-F262 AromaticContact CD2-CE2 3.46Å; F258-F262 HydrophobicContact CD2-CE2 3.46Å; F258-F262 VanDerWaalsContact CD2-CE2 3.46Å; F258-F262 HydrophobicContact CD2-CZ 4.49Å; F258-F262 HydrophobicContact CE2-CD2 4.13Å; F258-F262 AromaticContact CE2-CE2 3.77Å; F258-F262 HydrophobicContact CE2-CE2 3.77Å; F258-F262 PolarHBondContact O-N 3.17Å
259	P	94.1	Very high	93.1	Very high	26 Å²	26	38.4 Å²	38.4	17%	0.169	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-22.8	179.3	-26.9	38.4	0	0	0	114.2	Q225 L228 L256 R257 M261 E263	Q225-P259 HydrophobicContact CG-CB 4.23Å; L228-P259 HydrophobicContact CD1-CG 4.07Å; L256-P259 VanDerWaalsContact O-CD 3.23Å; L256-P259 WeakPolarHBondContact O-CD 3.21Å; R257-P259 VanDerWaalsContact C-N 3.28Å; R257-P259 WeakPolarHBondContact O-CD 3.42Å; R257-P259 VanDerWaalsContact O-N 3.1Å; P259-M261 VanDerWaalsContact C-N 3.32Å; P259-E263 PolarHBondContact O-N 3.27Å; P259-E263 VanDerWaalsContact O-N 3.08Å
260	R	91.9	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72	-27.2	173.3	-57.9	-66.3	-77.7	140.1	-5.7	112.3	Y145 I152 D194 R257 F258 E263 F264	Y145-R260 PolarHBondContact OH-NH1 3.46Å; Y145-R260 PolarHBondContact OH-NH2 3Å; I152-R260 HydrophobicContact CG2-CB 3.64Å; I152-R260 HydrophobicContact CG2-CG 4.18Å; D194-R260 IonicContact OD1-CZ 2.64Å; D194-R260 IonicContact OD1-NE 3.18Å; D194-R260 PolarHBondContact OD1-NE 3.16Å; D194-R260 IonicContact OD1-NH2 3.64Å; D194-R260 PolarHBondContact OD1-NH2 3.41Å; D194-R260 IonicContact OD2-CZ 2.84Å; D194-R260 IonicContact OD2-NE 3.18Å; D194-R260 PolarHBondContact OD2-NE 3.39Å; D194-R260 IonicContact OD2-NH2 2.69Å; R257-R260 HydrophobicContact CG-CG 4.16Å; R257-R260 PolarHBondContact O-N 3.31Å; R257-R260 VanDerWaalsContact O-N 3.12Å; F258-R260 PolarHBondContact O-N 3.47Å; F258-R260 VanDerWaalsContact O-N 3.12Å; R260-E263 IonicContact CZ-OE2 2.66Å; R260-E263 IonicContact NH1-OE1 3.43Å; R260-E263 PolarHBondContact NH1-OE1 2.85Å; R260-E263 VanDerWaalsContact NH1-OE1 3.17Å; R260-E263 IonicContact NH1-OE2 3.81Å; R260-E263 PolarHBondContact NH1-OE2 2.8Å; R260-F264 PolarHBondContact O-N 2.94Å
261	M	92.9	Very high	93.1	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-77	-38	175.8	-175.5	-179.4	70.2	0	0	111.5	V156 F258 P259 F264 F265	V156-M261 HydrophobicContact CB-CB 4.35Å; V156-M261 HydrophobicContact CG1-CB 3.91Å; V156-M261 HydrophobicContact CG1-SD 4.14Å; F258-M261 WeakPolarHBondContact O-CB 3.44Å; F258-M261 PolarHBondContact O-N 2.86Å; P259-M261 VanDerWaalsContact C-N 3.32Å; M261-F264 WeakPolarHBondContact O-CB 3.26Å; M261-F264 PolarHBondContact O-N 2.88Å; M261-F265 HydrophobicContact CE-CE2 4.06Å; M261-F265 HydrophobicContact CE-CZ 4.43Å; M261-F265 HydrophobicContact CG-CD2 4.32Å; M261-F265 HydrophobicContact CG-CE1 4.14Å; M261-F265 HydrophobicContact CG-CE2 3.6Å; M261-F265 HydrophobicContact CG-CZ 3.49Å; M261-F265 VanDerWaalsContact CG-CZ 3.49Å; M261-F265 WeakPolarHBondContact O-CD2 3.36Å; M261-F265 VanDerWaalsContact O-CG 3.31Å; M261-F265 WeakPolarHBondContact O-CG 3.45Å; M261-F265 PolarHBondContact O-N 3.09Å; M261-F265 HydrophobicContact SD-CE2 4.08Å; M261-F265 HydrophobicContact SD-CZ 3.88Å
262	F	93.6	Very high	93	Very high	85 Å²	85	42.4 Å²	42.4	37%	0.373	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-45.3	169.5	-67.8	-45.9	0	0	0	111.5	F258 F264 F265 D266 Y286	F258-F262 AromaticContact CD2-CD2 3.76Å; F258-F262 HydrophobicContact CD2-CD2 3.76Å; F258-F262 AromaticContact CD2-CE2 3.46Å; F258-F262 HydrophobicContact CD2-CE2 3.46Å; F258-F262 VanDerWaalsContact CD2-CE2 3.46Å; F258-F262 HydrophobicContact CD2-CZ 4.49Å; F258-F262 HydrophobicContact CE2-CD2 4.13Å; F258-F262 AromaticContact CE2-CE2 3.77Å; F258-F262 HydrophobicContact CE2-CE2 3.77Å; F258-F262 PolarHBondContact O-N 3.17Å; F262-F264 PolarHBondContact O-N 2.86Å; F262-F265 HydrophobicContact CD1-CD2 4.18Å; F262-F265 WeakPolarHBondContact O-CA 3.47Å; F262-F265 PolarHBondContact O-N 3.25Å; F262-D266 VanDerWaalsContact O-CG 3.26Å; F262-D266 PolarHBondContact O-N 3.12Å; F262-Y286 HydrophobicContact CE1-CE1 4.01Å; F262-Y286 AromaticContact CE1-CZ 3.98Å; F262-Y286 WeakPolarHBondContact CE1-OH 3.17Å
263	E	93.3	Very high	92.8	Very high	35 Å²	35	41.3 Å²	41.3	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-37.2	172.8	-164.8	-172.8	143.5	0	0	111.6	Y145 L149 R198 P259 R260 R267	Y145-E263 WeakPolarHBondContact CE1-OE1 3.22Å; Y145-E263 PolarHBondContact OH-OE1 2.9Å; L149-E263 HydrophobicContact CD2-CB 4.44Å; L149-E263 HydrophobicContact CD2-CG 4.11Å; R198-E263 IonicContact NH2-OE2 2.7Å; R198-E263 PolarHBondContact NH2-OE2 3.23Å; P259-E263 PolarHBondContact O-N 3.27Å; P259-E263 VanDerWaalsContact O-N 3.08Å; R260-E263 IonicContact CZ-OE2 2.66Å; R260-E263 IonicContact NH1-OE1 3.43Å; R260-E263 PolarHBondContact NH1-OE1 2.85Å; R260-E263 VanDerWaalsContact NH1-OE1 3.17Å; R260-E263 IonicContact NH1-OE2 3.81Å; R260-E263 PolarHBondContact NH1-OE2 2.8Å; E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 WeakPolarHBondContact O-CG 2.96Å; E263-R267 PolarHBondContact O-N 2.88Å; E263-R267 VanDerWaalsContact O-N 3.14Å; E263-R267 IonicContact OE1-NH2 3.19Å; E263-R267 PolarHBondContact OE1-NH2 2.79Å
264	F	94.6	Very high	92.5	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-44.2	172.6	177.9	-109.9	0	0	0	112.7	Y146 L149 F150 A153 R260 M261 F262 T268	Y146-F264 HydrophobicContact CE2-CD2 4.42Å; Y146-F264 AromaticContact CE2-CE2 3.89Å; Y146-F264 HydrophobicContact CE2-CE2 3.89Å; L149-F264 HydrophobicContact CB-CD2 4.4Å; L149-F264 HydrophobicContact CD2-CB 4.28Å; L149-F264 HydrophobicContact CG-CB 3.9Å; L149-F264 HydrophobicContact CG-CD2 4.18Å; F150-F264 HydrophobicContact CB-CD2 4.26Å; F150-F264 HydrophobicContact CB-CE2 3.69Å; F150-F264 HydrophobicContact CB-CZ 4.21Å; F150-F264 HydrophobicContact CD2-CE1 4.11Å; F150-F264 AromaticContact CD2-CE2 3.91Å; F150-F264 HydrophobicContact CD2-CE2 3.91Å; F150-F264 AromaticContact CD2-CZ 3.51Å; F150-F264 HydrophobicContact CD2-CZ 3.51Å; F150-F264 HydrophobicContact CE2-CZ 4.36Å; F150-F264 HydrophobicContact CG-CE2 4.27Å; F150-F264 HydrophobicContact CG-CZ 4.3Å; A153-F264 HydrophobicContact CB-CB 3.87Å; A153-F264 HydrophobicContact CB-CD1 3.57Å; A153-F264 HydrophobicContact CB-CD2 4.45Å; A153-F264 HydrophobicContact CB-CE1 4.32Å; A153-F264 HydrophobicContact CB-CG 3.67Å; R260-F264 PolarHBondContact O-N 2.94Å; M261-F264 WeakPolarHBondContact O-CB 3.26Å; M261-F264 PolarHBondContact O-N 2.88Å; F262-F264 PolarHBondContact O-N 2.86Å; F264-T268 VanDerWaalsContact CE2-OG1 3.24Å; F264-T268 WeakPolarHBondContact CE2-OG1 3.44Å; F264-T268 WeakPolarHBondContact CZ-OG1 3.39Å; F264-T268 WeakPolarHBondContact O-CB 3.4Å; F264-T268 PolarHBondContact O-N 3.5Å; F264-T268 PolarHBondContact O-OG1 3.06Å
265	F	94.4	Very high	92.3	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-47	179.4	-61.5	-28.5	0	0	0	111.6	M261 F262 R267 T268 E269 F278 L285 Y286	M261-F265 HydrophobicContact CE-CE2 4.06Å; M261-F265 HydrophobicContact CE-CZ 4.43Å; M261-F265 HydrophobicContact CG-CD2 4.32Å; M261-F265 HydrophobicContact CG-CE1 4.14Å; M261-F265 HydrophobicContact CG-CE2 3.6Å; M261-F265 HydrophobicContact CG-CZ 3.49Å; M261-F265 VanDerWaalsContact CG-CZ 3.49Å; M261-F265 WeakPolarHBondContact O-CD2 3.36Å; M261-F265 VanDerWaalsContact O-CG 3.31Å; M261-F265 WeakPolarHBondContact O-CG 3.45Å; M261-F265 PolarHBondContact O-N 3.09Å; M261-F265 HydrophobicContact SD-CE2 4.08Å; M261-F265 HydrophobicContact SD-CZ 3.88Å; F262-F265 HydrophobicContact CD1-CD2 4.18Å; F262-F265 WeakPolarHBondContact O-CA 3.47Å; F262-F265 PolarHBondContact O-N 3.25Å; F265-R267 VanDerWaalsContact C-N 3.32Å; F265-R267 PolarHBondContact O-N 2.87Å; F265-T268 CarbonylContact O-C 3.35Å; F265-T268 PolarHBondContact O-N 3.32Å; F265-E269 WeakPolarHBondContact O-CB 3.48Å; F265-E269 PolarHBondContact O-N 2.97Å; F265-F278 HydrophobicContact CB-CE1 4.34Å; F265-F278 HydrophobicContact CB-CZ 4.45Å; F265-F278 AromaticContact CD1-CZ 3.99Å; F265-F278 HydrophobicContact CD1-CZ 3.99Å; F265-F278 WeakPolarHBondContact O-CE1 3.44Å; F265-L285 HydrophobicContact CZ-CD2 3.84Å; F265-Y286 HydrophobicContact CD2-CE1 4.36Å; F265-Y286 WeakPolarHBondContact CD2-OH 3.44Å; F265-Y286 AromaticContact CE2-CE1 3.87Å; F265-Y286 HydrophobicContact CE2-CE1 3.87Å
266	D	92.5	Very high	92	Very high	103 Å²	103	49.5 Å²	49.5	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-58.9	-43.2	177.7	-55	-29	0	0	0	111.7	F262 T268 E269 T270	F262-D266 VanDerWaalsContact O-CG 3.26Å; F262-D266 PolarHBondContact O-N 3.12Å; D266-T268 VanDerWaalsContact C-N 3.33Å; D266-T268 PolarHBondContact O-N 3.39Å; D266-E269 PolarHBondContact O-N 3.4Å; D266-T270 WeakPolarHBondContact O-CG2 3.33Å; D266-T270 PolarHBondContact O-N 2.61Å; D266-T270 PolarHBondContact O-OG1 3.45Å
267	R	92	Very high	91.8	Very high	52 Å²	52	51.4 Å²	51.4	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-32.9	175.9	-65.4	-69.9	-163.4	95.6	10.8	112.9	P140 Y146 L149 E263 F265 T270 R271	P140-R267 PolarHBondContact O-NH1 3.09Å; Y146-R267 HydrophobicContact CD2-CB 4.13Å; Y146-R267 HydrophobicContact CE2-CB 4.34Å; L149-R267 HydrophobicContact CD2-CB 4.28Å; L149-R267 HydrophobicContact CD2-CG 3.83Å; E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 WeakPolarHBondContact O-CG 2.96Å; E263-R267 PolarHBondContact O-N 2.88Å; E263-R267 VanDerWaalsContact O-N 3.14Å; E263-R267 IonicContact OE1-NH2 3.19Å; E263-R267 PolarHBondContact OE1-NH2 2.79Å; F265-R267 VanDerWaalsContact C-N 3.32Å; F265-R267 PolarHBondContact O-N 2.87Å; R267-T270 WeakPolarHBondContact CA-OG1 3.36Å; R267-T270 PolarHBondContact O-OG1 3.45Å; R267-T270 VanDerWaalsContact O-OG1 3.12Å; R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 WeakPolarHBondContact O-CG 3.17Å; R267-R271 PolarHBondContact O-N 3.05Å
268	T	93.5	Very high	91.6	Very high	12 Å²	12	53 Å²	53	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-78.6	-39.4	177.7	-55	0	0	0	0	111	Y146 F264 F265 D266 T270 R271 T272 F278	Y146-T268 PolarHBondContact OH-OG1 2.8Å; F264-T268 VanDerWaalsContact CE2-OG1 3.24Å; F264-T268 WeakPolarHBondContact CE2-OG1 3.44Å; F264-T268 WeakPolarHBondContact CZ-OG1 3.39Å; F264-T268 WeakPolarHBondContact O-CB 3.4Å; F264-T268 PolarHBondContact O-N 3.5Å; F264-T268 PolarHBondContact O-OG1 3.06Å; F265-T268 CarbonylContact O-C 3.35Å; F265-T268 PolarHBondContact O-N 3.32Å; D266-T268 VanDerWaalsContact C-N 3.33Å; D266-T268 PolarHBondContact O-N 3.39Å; T268-T270 PolarHBondContact O-N 3.4Å; T268-R271 PolarHBondContact O-N 2.97Å; T268-T272 VanDerWaalsContact O-CG2 3.23Å; T268-T272 WeakPolarHBondContact O-CG2 3.33Å; T268-T272 PolarHBondContact O-N 3.3Å; T268-F278 HydrophobicContact CG2-CD1 4.32Å; T268-F278 HydrophobicContact CG2-CD2 3.98Å; T268-F278 HydrophobicContact CG2-CE1 3.81Å; T268-F278 HydrophobicContact CG2-CE2 3.45Å; T268-F278 VanDerWaalsContact CG2-CE2 3.45Å; T268-F278 HydrophobicContact CG2-CG 4.39Å; T268-F278 HydrophobicContact CG2-CZ 3.36Å
269	E	91.9	Very high	91.6	Very high	51 Å²	51	54.2 Å²	54.2	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-20.5	173	-171.5	172.3	132	0	0	112.6	R34 F265 D266 P275 F278 R279	R34-E269 VanDerWaalsContact NH2-C 3.31Å; R34-E269 PolarHBondContact NH2-O 2.89Å; F265-E269 WeakPolarHBondContact O-CB 3.48Å; F265-E269 PolarHBondContact O-N 2.97Å; D266-E269 PolarHBondContact O-N 3.4Å; E269-P275 HydrophobicContact CG-CB 4.18Å; E269-F278 HydrophobicContact CB-CD1 3.86Å; E269-F278 HydrophobicContact CB-CE1 4.06Å; E269-F278 HydrophobicContact CG-CD1 4.47Å; E269-R279 IonicContact OE1-CZ 2.78Å; E269-R279 IonicContact OE1-NE 3.39Å; E269-R279 PolarHBondContact OE1-NE 3.43Å; E269-R279 IonicContact OE1-NH2 3.66Å; E269-R279 PolarHBondContact OE1-NH2 3.25Å; E269-R279 WeakPolarHBondContact OE2-CG 3.32Å; E269-R279 IonicContact OE2-NE 3.19Å; E269-R279 PolarHBondContact OE2-NE 3.28Å
270	T	90.3	Very high	91.4	Very high	92 Å²	92	55.8 Å²	55.8	56%	0.564	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.9	170.3	51.8	0	0	0	0	114.3	R34 D266 R267 T268	R34-T270 PolarHBondContact NH1-O 2.99Å; R34-T270 VanDerWaalsContact NH1-O 3.11Å; D266-T270 WeakPolarHBondContact O-CG2 3.33Å; D266-T270 PolarHBondContact O-N 2.61Å; D266-T270 PolarHBondContact O-OG1 3.45Å; R267-T270 WeakPolarHBondContact CA-OG1 3.36Å; R267-T270 PolarHBondContact O-OG1 3.45Å; R267-T270 VanDerWaalsContact O-OG1 3.12Å; T268-T270 PolarHBondContact O-N 3.4Å
271	R	89.9	Confident	91.4	Very high	86 Å²	86	59.2 Å²	59.2	33%	0.325	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-29.5	176.6	-76.2	173.8	164.1	-111.9	2.9	115.9	R34 S141 D143 R267 T268	R34-R271 PolarHBondContact NE-O 3.17Å; S141-R271 PolarHBondContact O-NH2 2.88Å; S141-R271 VanDerWaalsContact O-NH2 3.09Å; D143-R271 VanDerWaalsContact CG-NH1 3.28Å; D143-R271 IonicContact OD1-CZ 3.25Å; D143-R271 IonicContact OD1-NH1 3.7Å; D143-R271 PolarHBondContact OD1-NH1 3.12Å; D143-R271 IonicContact OD1-NH2 3.46Å; D143-R271 PolarHBondContact OD1-NH2 2.86Å; D143-R271 IonicContact OD2-NH1 3.2Å; D143-R271 PolarHBondContact OD2-NH1 3.26Å; R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 WeakPolarHBondContact O-CG 3.17Å; R267-R271 PolarHBondContact O-N 3.05Å; T268-R271 PolarHBondContact O-N 2.97Å
272	T	90.7	Very high	91.3	Very high	43 Å²	43	59 Å²	59	26%	0.264	29%	0.29	S	S	.	.	S	Bend	trans	-77.3	131	178.7	-178	0	0	0	0	114.2	R34 T268 Y274 F278	R34-T272 VanDerWaalsContact NE-C 3.3Å; R34-T272 PolarHBondContact NE-O 3.49Å; R34-T272 PolarHBondContact NH2-O 3.06Å; T268-T272 VanDerWaalsContact O-CG2 3.23Å; T268-T272 WeakPolarHBondContact O-CG2 3.33Å; T268-T272 PolarHBondContact O-N 3.3Å; T272-Y274 PolarHBondContact O-N 3.49Å; T272-F278 HydrophobicContact CG2-CB 3.74Å; T272-F278 HydrophobicContact CG2-CD1 4.42Å; T272-F278 HydrophobicContact CG2-CG 4.05Å
273	N	90.6	Very high	91.2	Very high	60 Å²	60	55.9 Å²	55.9	32%	0.321	28%	0.277	S	S	.	.	S	Bend	trans	-62.8	-8.1	179.8	-72.2	-13.2	0	0	0	114.8	R34 V35 S37 P275	R34-N273 WeakPolarHBondContact CD-OD1 3.44Å; V35-N273 PolarHBondContact O-OD1 2.9Å; S37-N273 PolarHBondContact N-ND2 3.46Å; N273-P275 WeakPolarHBondContact O-CD 3.49Å
274	Y	87.8	Confident	91.1	Very high	135 Å²	135	57.5 Å²	57.5	53%	0.529	29%	0.289	S	S	.	.			trans	-124.1	67.9	-178.5	-53.5	-80.4	0	0	0	112.1	T272 N276 I277 F278	T272-Y274 PolarHBondContact O-N 3.49Å; Y274-N276 VanDerWaalsContact C-N 3.34Å; Y274-N276 PolarHBondContact O-N 3.29Å; Y274-I277 HydrophobicContact CD1-CD1 4.45Å; Y274-I277 HydrophobicContact CG-CD1 4.34Å; Y274-I277 PolarHBondContact O-N 3.48Å; Y274-F278 PolarHBondContact O-N 2.93Å; Y274-F278 VanDerWaalsContact O-N 3.16Å
275	P	90.4	Very high	91	Very high	41 Å²	41	58.9 Å²	58.9	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-37.6	-173.3	23.9	-34	0	0	0	113.2	E269 N273 I277 F278 R279	E269-P275 HydrophobicContact CG-CB 4.18Å; N273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-I277 PolarHBondContact O-N 2.98Å; P275-F278 PolarHBondContact O-N 3.41Å; P275-R279 WeakPolarHBondContact O-CG 3.21Å; P275-R279 PolarHBondContact O-N 2.81Å
276	N	87.9	Confident	90.9	Very high	40 Å²	40	61.8 Å²	61.8	21%	0.214	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-36.9	178.5	-69.4	-20.9	0	0	0	112.8	Y274 I280	Y274-N276 VanDerWaalsContact C-N 3.34Å; Y274-N276 PolarHBondContact O-N 3.29Å; N276-I280 WeakPolarHBondContact O-CG1 3.43Å; N276-I280 PolarHBondContact O-N 3.06Å; N276-I280 VanDerWaalsContact O-N 3.17Å
277	I	88.9	Confident	90.8	Very high	99 Å²	99	58.9 Å²	58.9	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-44.1	174.4	-60.3	-178.4	0	0	0	109.4	Y274 P275 R279 I280 C281	Y274-I277 HydrophobicContact CD1-CD1 4.45Å; Y274-I277 HydrophobicContact CG-CD1 4.34Å; Y274-I277 PolarHBondContact O-N 3.48Å; P275-I277 PolarHBondContact O-N 2.98Å; I277-R279 PolarHBondContact O-N 3.21Å; I277-I280 PolarHBondContact O-N 3.4Å; I277-C281 PolarHBondContact O-N 2.89Å; I277-C281 PolarHBondContact O-SG 2.83Å
278	F	92	Very high	90.9	Very high	34 Å²	34	61.4 Å²	61.4	15%	0.149	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-40.7	179	-175.1	-109.1	0	0	0	113.1	F265 T268 E269 T272 Y274 P275 I280 C281 N282	F265-F278 HydrophobicContact CB-CE1 4.34Å; F265-F278 HydrophobicContact CB-CZ 4.45Å; F265-F278 AromaticContact CD1-CZ 3.99Å; F265-F278 HydrophobicContact CD1-CZ 3.99Å; F265-F278 WeakPolarHBondContact O-CE1 3.44Å; T268-F278 HydrophobicContact CG2-CD1 4.32Å; T268-F278 HydrophobicContact CG2-CD2 3.98Å; T268-F278 HydrophobicContact CG2-CE1 3.81Å; T268-F278 HydrophobicContact CG2-CE2 3.45Å; T268-F278 VanDerWaalsContact CG2-CE2 3.45Å; T268-F278 HydrophobicContact CG2-CG 4.39Å; T268-F278 HydrophobicContact CG2-CZ 3.36Å; E269-F278 HydrophobicContact CB-CD1 3.86Å; E269-F278 HydrophobicContact CB-CE1 4.06Å; E269-F278 HydrophobicContact CG-CD1 4.47Å; T272-F278 HydrophobicContact CG2-CB 3.74Å; T272-F278 HydrophobicContact CG2-CD1 4.42Å; T272-F278 HydrophobicContact CG2-CG 4.05Å; Y274-F278 PolarHBondContact O-N 2.93Å; Y274-F278 VanDerWaalsContact O-N 3.16Å; P275-F278 PolarHBondContact O-N 3.41Å; F278-I280 PolarHBondContact O-N 2.97Å; F278-C281 PolarHBondContact O-N 3.17Å; F278-N282 WeakPolarHBondContact CD1-ND2 3.25Å; F278-N282 WeakPolarHBondContact CE1-ND2 3.41Å; F278-N282 VanDerWaalsContact CZ-ND2 3.34Å; F278-N282 WeakPolarHBondContact CZ-ND2 3.39Å; F278-N282 WeakPolarHBondContact CZ-OD1 3.22Å; F278-N282 PolarHBondContact O-N 3.46Å
279	R	90.5	Very high	91	Very high	95 Å²	95	61.8 Å²	61.8	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-45.2	171.4	-73.6	170.1	174.8	175.6	-5.1	112.3	E269 P275 I277 N282 L283 M379	E269-R279 IonicContact OE1-CZ 2.78Å; E269-R279 IonicContact OE1-NE 3.39Å; E269-R279 PolarHBondContact OE1-NE 3.43Å; E269-R279 IonicContact OE1-NH2 3.66Å; E269-R279 PolarHBondContact OE1-NH2 3.25Å; E269-R279 WeakPolarHBondContact OE2-CG 3.32Å; E269-R279 IonicContact OE2-NE 3.19Å; E269-R279 PolarHBondContact OE2-NE 3.28Å; P275-R279 WeakPolarHBondContact O-CG 3.21Å; P275-R279 PolarHBondContact O-N 2.81Å; I277-R279 PolarHBondContact O-N 3.21Å; R279-N282 PolarHBondContact O-N 3.1Å; R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 2.77Å; R279-M379 HydrophobicContact CB-CE 4.24Å; R279-M379 HydrophobicContact CB-SD 3.54Å; R279-M379 VanDerWaalsContact CB-SD 3.54Å
280	I	90	Very high	91.1	Very high	58 Å²	58	62.3 Å²	62.3	30%	0.297	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-44.1	176.5	-67.2	166	0	0	0	110.5	N276 I277 F278 N282 L283 V284 M379	N276-I280 WeakPolarHBondContact O-CG1 3.43Å; N276-I280 PolarHBondContact O-N 3.06Å; N276-I280 VanDerWaalsContact O-N 3.17Å; I277-I280 PolarHBondContact O-N 3.4Å; F278-I280 PolarHBondContact O-N 2.97Å; I280-N282 PolarHBondContact O-N 3.46Å; I280-L283 PolarHBondContact O-N 2.62Å; I280-V284 WeakPolarHBondContact O-CG2 3.3Å; I280-V284 PolarHBondContact O-N 3.12Å; I280-M379 HydrophobicContact CG1-SD 3.8Å
281	C	91.1	Very high	91.4	Very high	72 Å²	72	58.8 Å²	58.8	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-43	175.9	-67.5	0	0	0	0	112.7	I277 F278 V284 L285	I277-C281 PolarHBondContact O-N 2.89Å; I277-C281 PolarHBondContact O-SG 2.83Å; F278-C281 PolarHBondContact O-N 3.17Å; C281-V284 PolarHBondContact O-N 2.95Å; C281-L285 WeakPolarHBondContact O-CB 3.48Å; C281-L285 PolarHBondContact O-N 2.97Å
282	N	92.1	Very high	91.7	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-40.7	176.5	-68.1	-15.6	0	0	0	111.7	F278 R279 I280 L285 Y286	F278-N282 WeakPolarHBondContact CD1-ND2 3.25Å; F278-N282 WeakPolarHBondContact CE1-ND2 3.41Å; F278-N282 VanDerWaalsContact CZ-ND2 3.34Å; F278-N282 WeakPolarHBondContact CZ-ND2 3.39Å; F278-N282 WeakPolarHBondContact CZ-OD1 3.22Å; F278-N282 PolarHBondContact O-N 3.46Å; R279-N282 PolarHBondContact O-N 3.1Å; I280-N282 PolarHBondContact O-N 3.46Å; N282-L285 WeakPolarHBondContact O-CB 3.45Å; N282-L285 PolarHBondContact O-N 3.01Å; N282-Y286 HydrophobicContact CB-CE2 4.33Å; N282-Y286 VanDerWaalsContact O-CD2 3.27Å; N282-Y286 WeakPolarHBondContact O-CD2 3.45Å; N282-Y286 PolarHBondContact O-N 3.24Å
283	L	90.8	Very high	91.9	Very high	20 Å²	20	56.3 Å²	56.3	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-42.5	176.6	-174	57.3	0	0	0	111.7	R279 I280 L285 Y286 I287 I372 N375 I376 M379	R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 2.77Å; I280-L283 PolarHBondContact O-N 2.62Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-L285 PolarHBondContact O-N 2.84Å; L283-Y286 HydrophobicContact CD1-CD2 4.41Å; L283-Y286 PolarHBondContact O-N 3.18Å; L283-I287 HydrophobicContact CG-CD1 4.48Å; L283-I287 VanDerWaalsContact O-CG1 3.26Å; L283-I287 WeakPolarHBondContact O-CG1 3.41Å; L283-I287 PolarHBondContact O-N 2.86Å; L283-I372 HydrophobicContact CD1-CG1 4.12Å; L283-I372 HydrophobicContact CD2-CG2 4.44Å; L283-N375 HydrophobicContact CD2-CB 4.13Å; L283-I376 HydrophobicContact CD2-CD1 4.19Å; L283-I376 HydrophobicContact CD2-CG1 3.58Å; L283-M379 HydrophobicContact CD2-CE 3.87Å
284	V	90.8	Very high	92.2	Very high	69 Å²	69	54 Å²	54	42%	0.418	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-39.6	172.4	171.8	0	0	0	0	111.5	I280 C281 I287 L288	I280-V284 WeakPolarHBondContact O-CG2 3.3Å; I280-V284 PolarHBondContact O-N 3.12Å; C281-V284 PolarHBondContact O-N 2.95Å; V284-I287 PolarHBondContact O-N 2.89Å; V284-L288 HydrophobicContact CG1-CD1 4Å; V284-L288 HydrophobicContact CG1-CG 4.44Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.27Å
285	L	92.8	Very high	92.6	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-43.9	174.1	179.4	62.1	0	0	0	111.8	L157 F265 C281 N282 L283 I287 L288 V289	L157-L285 HydrophobicContact CD1-CD1 4.3Å; F265-L285 HydrophobicContact CZ-CD2 3.84Å; C281-L285 WeakPolarHBondContact O-CB 3.48Å; C281-L285 PolarHBondContact O-N 2.97Å; N282-L285 WeakPolarHBondContact O-CB 3.45Å; N282-L285 PolarHBondContact O-N 3.01Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-L285 PolarHBondContact O-N 2.84Å; L285-I287 PolarHBondContact O-N 2.93Å; L285-L288 PolarHBondContact O-N 2.65Å; L285-V289 HydrophobicContact CD1-CG2 4.32Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.06Å
286	Y	92.1	Very high	92.9	Very high	76 Å²	76	45.6 Å²	45.6	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-43.7	175.6	-58.5	-35.7	0	0	0	111.8	F262 F265 N282 L283 L288 V289 I290	F262-Y286 HydrophobicContact CE1-CE1 4.01Å; F262-Y286 AromaticContact CE1-CZ 3.98Å; F262-Y286 WeakPolarHBondContact CE1-OH 3.17Å; F265-Y286 HydrophobicContact CD2-CE1 4.36Å; F265-Y286 WeakPolarHBondContact CD2-OH 3.44Å; F265-Y286 AromaticContact CE2-CE1 3.87Å; F265-Y286 HydrophobicContact CE2-CE1 3.87Å; N282-Y286 HydrophobicContact CB-CE2 4.33Å; N282-Y286 VanDerWaalsContact O-CD2 3.27Å; N282-Y286 WeakPolarHBondContact O-CD2 3.45Å; N282-Y286 PolarHBondContact O-N 3.24Å; L283-Y286 HydrophobicContact CD1-CD2 4.41Å; L283-Y286 PolarHBondContact O-N 3.18Å; Y286-L288 PolarHBondContact O-N 2.64Å; Y286-V289 PolarHBondContact O-N 3.16Å; Y286-I290 WeakPolarHBondContact O-CD1 3.5Å; Y286-I290 VanDerWaalsContact O-CG1 3.23Å; Y286-I290 WeakPolarHBondContact O-CG1 3.4Å; Y286-I290 PolarHBondContact O-N 2.94Å
287	I	91.6	Very high	93.3	Very high	42 Å²	42	47 Å²	47	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-49.5	176.3	-66	164.7	0	0	0	110.9	L283 V284 L285 V289 I290 I291 I372	L283-I287 HydrophobicContact CG-CD1 4.48Å; L283-I287 VanDerWaalsContact O-CG1 3.26Å; L283-I287 WeakPolarHBondContact O-CG1 3.41Å; L283-I287 PolarHBondContact O-N 2.86Å; V284-I287 PolarHBondContact O-N 2.89Å; L285-I287 PolarHBondContact O-N 2.93Å; I287-V289 VanDerWaalsContact C-N 3.32Å; I287-V289 PolarHBondContact O-N 2.73Å; I287-I290 PolarHBondContact O-N 2.61Å; I287-I291 HydrophobicContact CG2-CD1 3.69Å; I287-I291 HydrophobicContact CG2-CG1 4.43Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 3.5Å; I287-I372 HydrophobicContact CD1-CD1 3.92Å; I287-I372 HydrophobicContact CD1-CG1 4.13Å; I287-I372 HydrophobicContact CD1-CG2 3.62Å; I287-I372 HydrophobicContact CG1-CD1 3.53Å; I287-I372 HydrophobicContact CG1-CG1 4.05Å; I287-I372 HydrophobicContact CG1-CG2 4.45Å
288	L	93.7	Very high	93.6	Very high	105 Å²	105	42.2 Å²	42.2	55%	0.55	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-37	179.8	-68.9	170.9	0	0	0	112.2	V284 L285 Y286 H292	V284-L288 HydrophobicContact CG1-CD1 4Å; V284-L288 HydrophobicContact CG1-CG 4.44Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.27Å; L285-L288 PolarHBondContact O-N 2.65Å; Y286-L288 PolarHBondContact O-N 2.64Å; L288-H292 WeakPolarHBondContact O-CB 3.28Å; L288-H292 PolarHBondContact O-N 3.07Å
289	V	95	Very high	93.7	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-44.2	174	170.7	0	0	0	0	111.3	W160 L161 L285 Y286 I287 H292 W293	W160-V289 HydrophobicContact CE3-CG1 3.83Å; W160-V289 HydrophobicContact CZ3-CG1 4.11Å; L161-V289 HydrophobicContact CD2-CG2 4.09Å; L285-V289 HydrophobicContact CD1-CG2 4.32Å; L285-V289 VanDerWaalsContact O-CG2 3.3Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.06Å; Y286-V289 PolarHBondContact O-N 3.16Å; I287-V289 VanDerWaalsContact C-N 3.32Å; I287-V289 PolarHBondContact O-N 2.73Å; V289-H292 PolarHBondContact O-N 3.32Å; V289-W293 WeakPolarHBondContact O-CB 3.46Å; V289-W293 VanDerWaalsContact O-CD1 3.24Å; V289-W293 PolarHBondContact O-N 2.65Å
290	I	94.4	Very high	93.9	Very high	62 Å²	62	38.5 Å²	38.5	32%	0.318	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-46.9	-179.8	-67.7	160	0	0	0	110.9	Y286 I287 H292 W293 N294 L340 I368	Y286-I290 WeakPolarHBondContact O-CD1 3.5Å; Y286-I290 VanDerWaalsContact O-CG1 3.23Å; Y286-I290 WeakPolarHBondContact O-CG1 3.4Å; Y286-I290 PolarHBondContact O-N 2.94Å; I287-I290 PolarHBondContact O-N 2.61Å; I290-H292 VanDerWaalsContact C-N 3.34Å; I290-H292 PolarHBondContact O-N 3.31Å; I290-W293 PolarHBondContact O-N 3.47Å; I290-N294 PolarHBondContact O-N 3.27Å; I290-L340 HydrophobicContact CG2-CD1 4.05Å; I290-I368 HydrophobicContact CD1-CD1 4.42Å; I290-I368 HydrophobicContact CD1-CG2 4.28Å; I290-I368 HydrophobicContact CG2-CD1 4.22Å
291	I	95.3	Very high	94.2	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-40.7	175.9	-64.3	170.6	0	0	0	110.7	I287 W293 A295 L333 S336 T337 L340	I287-I291 HydrophobicContact CG2-CD1 3.69Å; I287-I291 HydrophobicContact CG2-CG1 4.43Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 3.5Å; I291-W293 PolarHBondContact O-N 3.46Å; I291-A295 WeakPolarHBondContact O-CB 3.4Å; I291-A295 PolarHBondContact O-N 2.9Å; I291-L333 HydrophobicContact CG2-CD1 3.89Å; I291-L333 HydrophobicContact CG2-CG 4.37Å; I291-S336 PolarHBondContact O-OG 3.48Å; I291-T337 WeakPolarHBondContact CG2-OG1 3.4Å; I291-L340 HydrophobicContact CB-CD1 4.4Å; I291-L340 HydrophobicContact CG1-CD1 3.84Å
292	H	96.4	Very high	94.3	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-44.3	174.5	173.3	77.6	0	0	0	112.5	L161 L288 V289 I290 C296 Y329	L161-H292 PolarHBondContact O-NE2 3.31Å; L161-H292 VanDerWaalsContact O-NE2 3.08Å; L288-H292 WeakPolarHBondContact O-CB 3.28Å; L288-H292 PolarHBondContact O-N 3.07Å; V289-H292 PolarHBondContact O-N 3.32Å; I290-H292 VanDerWaalsContact C-N 3.34Å; I290-H292 PolarHBondContact O-N 3.31Å; H292-C296 PolarHBondContact O-N 3.44Å; H292-C296 PolarHBondContact O-SG 2.95Å; H292-Y329 AromaticContact CE1-CE2 3.82Å; H292-Y329 AromaticContact ND1-CE2 3.62Å; H292-Y329 AromaticContact ND1-CZ 3.69Å; H292-Y329 PolarHBondContact ND1-OH 3.49Å
293	W	96.8	Very high	94.4	Very high	65 Å²	65	37.4 Å²	37.4	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-48.3	179.5	-91.9	65.4	0	0	0	112.1	W160 I164 L255 V289 I290 I291 C296 I297	W160-W293 HydrophobicContact CD2-CZ2 4.44Å; W160-W293 HydrophobicContact CE3-CZ2 4.05Å; W160-W293 AromaticContact CE3-NE1 3.8Å; W160-W293 HydrophobicContact CZ3-CZ2 4.27Å; W160-W293 PolarHBondContact O-NE1 3.45Å; I164-W293 HydrophobicContact CB-CZ2 4.33Å; I164-W293 HydrophobicContact CG1-CD2 4.34Å; I164-W293 HydrophobicContact CG1-CE3 4.41Å; I164-W293 HydrophobicContact CG2-CD2 4.36Å; I164-W293 HydrophobicContact CG2-CG 4.49Å; I164-W293 HydrophobicContact CG2-CZ2 4.32Å; L255-W293 HydrophobicContact CD1-CH2 3.88Å; L255-W293 HydrophobicContact CD1-CZ2 4.12Å; V289-W293 WeakPolarHBondContact O-CB 3.46Å; V289-W293 VanDerWaalsContact O-CD1 3.24Å; V289-W293 PolarHBondContact O-N 2.65Å; I290-W293 PolarHBondContact O-N 3.47Å; I291-W293 PolarHBondContact O-N 3.46Å; W293-C296 WeakPolarHBondContact O-CB 3.38Å; W293-C296 PolarHBondContact O-N 2.91Å; W293-C296 VanDerWaalsContact O-N 3.16Å; W293-I297 WeakPolarHBondContact O-CG1 3.24Å; W293-I297 PolarHBondContact O-N 3.28Å
294	N	95.9	Very high	94.5	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-41.3	176.9	176	22.4	0	0	0	111.5	I290 C296 I297 Y298 S336 L340 D361	I290-N294 PolarHBondContact O-N 3.27Å; N294-C296 VanDerWaalsContact C-N 3.27Å; N294-C296 PolarHBondContact O-N 2.99Å; N294-I297 PolarHBondContact O-N 3.04Å; N294-Y298 PolarHBondContact O-N 3.46Å; N294-S336 VanDerWaalsContact CB-OG 3.23Å; N294-S336 WeakPolarHBondContact CB-OG 3.08Å; N294-S336 PolarHBondContact ND2-OG 2.92Å; N294-L340 HydrophobicContact CB-CD1 3.95Å; N294-L340 WeakPolarHBondContact ND2-CD1 3.39Å; N294-L340 WeakPolarHBondContact ND2-CG 3.28Å; N294-D361 PolarHBondContact ND2-OD1 3.35Å; N294-D361 PolarHBondContact ND2-OD2 3.37Å
295	A	96.6	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-39.7	171.3	0	0	0	0	0	113.4	I291 Y299 C332 L333 S336	I291-A295 WeakPolarHBondContact O-CB 3.4Å; I291-A295 PolarHBondContact O-N 2.9Å; A295-Y299 PolarHBondContact O-N 2.92Å; A295-C332 HydrophobicContact CB-CB 4.2Å; A295-C332 VanDerWaalsContact CB-O 3.31Å; A295-C332 WeakPolarHBondContact CB-O 3.38Å; A295-C332 WeakPolarHBondContact O-CB 3.4Å; A295-L333 HydrophobicContact CB-CB 4.49Å; A295-L333 HydrophobicContact CB-CD1 4.18Å; A295-S336 PolarHBondContact N-OG 3.47Å
296	C	96.4	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-37.9	174.8	-67.6	0	0	0	0	112.2	I164 C168 H292 W293 N294 A300	I164-C296 HydrophobicContact CG1-CB 3.95Å; C168-C296 HydrophobicContact CB-CB 4.17Å; C168-C296 WeakPolarHBondContact CB-O 3.31Å; C168-C296 PolarHBondContact SG-O 3.05Å; H292-C296 PolarHBondContact O-N 3.44Å; H292-C296 PolarHBondContact O-SG 2.95Å; W293-C296 WeakPolarHBondContact O-CB 3.38Å; W293-C296 PolarHBondContact O-N 2.91Å; W293-C296 VanDerWaalsContact O-N 3.16Å; N294-C296 VanDerWaalsContact C-N 3.27Å; N294-C296 PolarHBondContact O-N 2.99Å; C296-A300 WeakPolarHBondContact O-CB 3.47Å; C296-A300 PolarHBondContact O-N 3.4Å
297	I	95.6	Very high	94.7	Very high	69 Å²	69	36.9 Å²	36.9	35%	0.354	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-48.1	177.3	-68.7	163.7	0	0	0	110.8	W293 N294 Y299 A300 I301 F357	W293-I297 WeakPolarHBondContact O-CG1 3.24Å; W293-I297 PolarHBondContact O-N 3.28Å; N294-I297 PolarHBondContact O-N 3.04Å; I297-Y299 VanDerWaalsContact C-N 3.31Å; I297-Y299 PolarHBondContact O-N 2.94Å; I297-A300 WeakPolarHBondContact O-CB 3.23Å; I297-A300 PolarHBondContact O-N 2.93Å; I297-I301 HydrophobicContact CG2-CD1 3.76Å; I297-I301 HydrophobicContact CG2-CG1 4.34Å; I297-I301 WeakPolarHBondContact O-CG1 3.27Å; I297-I301 PolarHBondContact O-N 3.41Å; I297-F357 HydrophobicContact CG2-CE2 3.74Å; I297-F357 HydrophobicContact CG2-CZ 4.05Å
298	Y	95.5	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-42.6	175.1	166.5	-107.6	0	0	0	112.4	N294 I301 S302 W312 F314 Y331 C332 W335	N294-Y298 PolarHBondContact O-N 3.46Å; Y298-I301 PolarHBondContact O-N 3.43Å; Y298-S302 WeakPolarHBondContact O-CB 3.27Å; Y298-S302 PolarHBondContact O-N 2.98Å; Y298-S302 PolarHBondContact O-OG 3.44Å; Y298-W312 AromaticContact CD2-CH2 3.61Å; Y298-W312 HydrophobicContact CD2-CH2 3.61Å; Y298-W312 AromaticContact CD2-CZ2 3.68Å; Y298-W312 HydrophobicContact CD2-CZ2 3.68Å; Y298-W312 HydrophobicContact CD2-CZ3 4.24Å; Y298-W312 HydrophobicContact CE2-CD2 4.28Å; Y298-W312 HydrophobicContact CE2-CE3 4.29Å; Y298-W312 AromaticContact CE2-CH2 3.81Å; Y298-W312 HydrophobicContact CE2-CH2 3.81Å; Y298-W312 AromaticContact CE2-CZ2 3.79Å; Y298-W312 HydrophobicContact CE2-CZ2 3.79Å; Y298-W312 HydrophobicContact CE2-CZ3 4.06Å; Y298-W312 WeakPolarHBondContact CE2-O 3.35Å; Y298-W312 PolarHBondContact OH-O 3.23Å; Y298-F314 PolarHBondContact OH-N 3.36Å; Y298-Y331 HydrophobicContact CE1-CD1 4.42Å; Y298-Y331 HydrophobicContact CE1-CE1 4.15Å; Y298-C332 HydrophobicContact CD1-CB 3.98Å; Y298-C332 HydrophobicContact CE1-CB 4.45Å; Y298-W335 HydrophobicContact CD1-CB 4.21Å; Y298-W335 AromaticContact CD1-CD2 3.95Å; Y298-W335 HydrophobicContact CD1-CD2 3.95Å; Y298-W335 HydrophobicContact CD1-CE3 4.15Å; Y298-W335 AromaticContact CD1-CG 3.91Å; Y298-W335 HydrophobicContact CD1-CG 3.91Å; Y298-W335 AromaticContact CD2-CD2 3.77Å; Y298-W335 HydrophobicContact CD2-CD2 3.77Å; Y298-W335 AromaticContact CD2-CE2 3.63Å; Y298-W335 HydrophobicContact CD2-CE3 4.03Å; Y298-W335 HydrophobicContact CD2-CG 4.31Å; Y298-W335 HydrophobicContact CD2-CH2 4.29Å; Y298-W335 AromaticContact CD2-CZ2 3.94Å; Y298-W335 HydrophobicContact CD2-CZ2 3.94Å; Y298-W335 HydrophobicContact CD2-CZ3 4.29Å; Y298-W335 AromaticContact CD2-NE1 3.89Å; Y298-W335 HydrophobicContact CE1-CB 4.05Å; Y298-W335 AromaticContact CE1-CD1 3.71Å; Y298-W335 HydrophobicContact CE1-CD2 4.15Å; Y298-W335 AromaticContact CE1-CG 3.71Å; Y298-W335 HydrophobicContact CE1-CG 3.71Å; Y298-W335 AromaticContact CE2-CD1 3.69Å; Y298-W335 AromaticContact CE2-CD2 3.99Å; Y298-W335 HydrophobicContact CE2-CD2 3.99Å; Y298-W335 AromaticContact CE2-CE2 3.65Å; Y298-W335 HydrophobicContact CE2-CG 4.14Å; Y298-W335 HydrophobicContact CE2-CZ2 4.23Å; Y298-W335 AromaticContact CE2-NE1 3.4Å; Y298-W335 AromaticContact CG-CD2 3.76Å; Y298-W335 HydrophobicContact CG-CD2 3.76Å; Y298-W335 AromaticContact CG-CE3 3.73Å; Y298-W335 HydrophobicContact CG-CE3 3.73Å; Y298-W335 HydrophobicContact CG-CG 4.21Å; Y298-W335 HydrophobicContact CG-CZ3 4.22Å; Y298-W335 AromaticContact CZ-CD1 3.38Å; Y298-W335 AromaticContact CZ-CG 3.84Å; Y298-W335 AromaticContact CZ-NE1 3.62Å
299	Y	95.4	Very high	94.4	Very high	13 Å²	13	34.7 Å²	34.7	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-38.8	175	-171.8	-99.6	0	0	0	112.5	C168 F169 A295 I297 K303 F307 F314	C168-Y299 HydrophobicContact CB-CD1 4.39Å; C168-Y299 WeakPolarHBondContact O-CD1 3.36Å; C168-Y299 VanDerWaalsContact O-CE1 3.25Å; C168-Y299 WeakPolarHBondContact O-CE1 3.36Å; F169-Y299 AromaticContact CD1-CD1 3.64Å; F169-Y299 HydrophobicContact CD1-CD1 3.64Å; F169-Y299 HydrophobicContact CD1-CD2 4.26Å; F169-Y299 AromaticContact CD1-CE1 3.54Å; F169-Y299 HydrophobicContact CD1-CE1 3.54Å; F169-Y299 HydrophobicContact CD1-CE2 4.16Å; F169-Y299 HydrophobicContact CD1-CG 4Å; F169-Y299 AromaticContact CD1-CZ 3.8Å; F169-Y299 AromaticContact CE1-CD1 3.57Å; F169-Y299 HydrophobicContact CE1-CD1 3.57Å; F169-Y299 AromaticContact CE1-CD2 3.57Å; F169-Y299 HydrophobicContact CE1-CD2 3.57Å; F169-Y299 AromaticContact CE1-CE1 3.84Å; F169-Y299 HydrophobicContact CE1-CE1 3.84Å; F169-Y299 AromaticContact CE1-CE2 3.83Å; F169-Y299 HydrophobicContact CE1-CE2 3.83Å; F169-Y299 AromaticContact CE1-CG 3.42Å; F169-Y299 HydrophobicContact CE1-CG 3.42Å; F169-Y299 VanDerWaalsContact CE1-CG 3.42Å; F169-Y299 AromaticContact CE1-CZ 3.95Å; F169-Y299 HydrophobicContact CE2-CD1 4.46Å; F169-Y299 HydrophobicContact CE2-CG 4.49Å; F169-Y299 HydrophobicContact CG-CD1 4.14Å; F169-Y299 HydrophobicContact CG-CE1 4.18Å; F169-Y299 HydrophobicContact CZ-CD1 4Å; F169-Y299 HydrophobicContact CZ-CD2 4.16Å; F169-Y299 AromaticContact CZ-CG 3.7Å; F169-Y299 HydrophobicContact CZ-CG 3.7Å; A295-Y299 PolarHBondContact O-N 2.92Å; I297-Y299 VanDerWaalsContact C-N 3.31Å; I297-Y299 PolarHBondContact O-N 2.94Å; Y299-K303 VanDerWaalsContact O-CB 3.29Å; Y299-K303 WeakPolarHBondContact O-CB 3.02Å; Y299-K303 PolarHBondContact O-N 3.41Å; Y299-F307 HydrophobicContact CD2-CE1 4.29Å; Y299-F307 HydrophobicContact CE1-CZ 4.04Å; Y299-F307 AromaticContact CE2-CE1 3.82Å; Y299-F307 HydrophobicContact CE2-CE1 3.82Å; Y299-F307 AromaticContact CE2-CZ 3.91Å; Y299-F307 HydrophobicContact CE2-CZ 3.91Å; Y299-F307 AromaticContact CZ-CE1 3.94Å; Y299-F307 AromaticContact CZ-CZ 3.54Å; Y299-F307 WeakPolarHBondContact OH-CZ 3.36Å; Y299-F314 HydrophobicContact CD2-CB 4.39Å; Y299-F314 HydrophobicContact CD2-CD1 4.47Å; Y299-F314 HydrophobicContact CD2-CD2 4.34Å; Y299-F314 HydrophobicContact CD2-CG 4.12Å; Y299-F314 AromaticContact CE2-CD1 3.96Å; Y299-F314 HydrophobicContact CE2-CD1 3.96Å; Y299-F314 HydrophobicContact CE2-CD2 4.45Å; Y299-F314 HydrophobicContact CE2-CE1 4.27Å; Y299-F314 HydrophobicContact CE2-CG 4.07Å
300	A	94.9	Very high	94.3	Very high	37 Å²	37	35.6 Å²	35.6	31%	0.306	21%	0.208	S	C	.	.	H	α-helix	trans	-67.2	-40.6	176.7	0	0	0	0	0	112.7	C168 C296 I297 K303 S304	C168-A300 HydrophobicContact CB-CB 4.4Å; C296-A300 WeakPolarHBondContact O-CB 3.47Å; C296-A300 PolarHBondContact O-N 3.4Å; I297-A300 WeakPolarHBondContact O-CB 3.23Å; I297-A300 PolarHBondContact O-N 2.93Å; A300-K303 WeakPolarHBondContact O-CB 3.25Å; A300-K303 PolarHBondContact O-N 3.39Å; A300-S304 PolarHBondContact O-N 2.77Å
301	I	94.9	Very high	94.1	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.195	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-51.8	173.5	-66	169.7	0	0	0	109.3	I297 Y298 K303 S304 L305 W312 F357	I297-I301 HydrophobicContact CG2-CD1 3.76Å; I297-I301 HydrophobicContact CG2-CG1 4.34Å; I297-I301 WeakPolarHBondContact O-CG1 3.27Å; I297-I301 PolarHBondContact O-N 3.41Å; Y298-I301 PolarHBondContact O-N 3.43Å; I301-K303 PolarHBondContact O-N 2.85Å; I301-S304 WeakPolarHBondContact O-CA 3.42Å; I301-S304 PolarHBondContact O-N 3.2Å; I301-S304 PolarHBondContact O-OG 2.78Å; I301-L305 HydrophobicContact CG2-CD1 3.82Å; I301-L305 HydrophobicContact CG2-CG 4.29Å; I301-L305 PolarHBondContact O-N 3.43Å; I301-W312 HydrophobicContact CG2-CH2 4.12Å; I301-W312 HydrophobicContact CG2-CZ3 4Å; I301-F357 HydrophobicContact CD1-CB 4.38Å; I301-F357 HydrophobicContact CD1-CD1 3.88Å; I301-F357 HydrophobicContact CD1-CD2 3.5Å; I301-F357 HydrophobicContact CD1-CE1 3.99Å; I301-F357 HydrophobicContact CD1-CE2 3.64Å; I301-F357 HydrophobicContact CD1-CG 3.63Å; I301-F357 HydrophobicContact CD1-CZ 3.89Å
302	S	94.6	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-53.5	-38.8	175.2	-63	0	0	0	0	113.1	Y298 G306 F314	Y298-S302 WeakPolarHBondContact O-CB 3.27Å; Y298-S302 PolarHBondContact O-N 2.98Å; Y298-S302 PolarHBondContact O-OG 3.44Å; S302-G306 CarbonylContact O-C 3.53Å; S302-G306 PolarHBondContact O-N 3.09Å; S302-F314 PolarHBondContact OG-N 2.95Å
303	K	92.5	Very high	93.9	Very high	83 Å²	83	36.1 Å²	36.1	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-36.8	175.8	-175.2	-171.2	177.7	-170.6	0	112.4	D170 Y299 A300 I301 F307	D170-K303 IonicContact OD1-NZ 2.68Å; D170-K303 PolarHBondContact OD1-NZ 3.33Å; D170-K303 VanDerWaalsContact OD2-CE 3.29Å; D170-K303 WeakPolarHBondContact OD2-CE 3.38Å; D170-K303 IonicContact OD2-NZ 3.47Å; D170-K303 PolarHBondContact OD2-NZ 3.27Å; Y299-K303 VanDerWaalsContact O-CB 3.29Å; Y299-K303 WeakPolarHBondContact O-CB 3.02Å; Y299-K303 PolarHBondContact O-N 3.41Å; A300-K303 WeakPolarHBondContact O-CB 3.25Å; A300-K303 PolarHBondContact O-N 3.39Å; I301-K303 PolarHBondContact O-N 2.85Å; K303-F307 HydrophobicContact CB-CE1 3.79Å; K303-F307 HydrophobicContact CB-CE2 4.49Å; K303-F307 HydrophobicContact CB-CZ 3.61Å; K303-F307 HydrophobicContact CG-CE1 4.45Å; K303-F307 HydrophobicContact CG-CE2 4.28Å; K303-F307 HydrophobicContact CG-CZ 3.79Å
304	S	93.3	Very high	93.7	Very high	93 Å²	93	33 Å²	33	65%	0.65	20%	0.204	S	C	*	.	H	α-helix	trans	-76.5	-32.2	179	67.3	0	0	0	0	114.1	A300 I301	A300-S304 PolarHBondContact O-N 2.77Å; I301-S304 WeakPolarHBondContact O-CA 3.42Å; I301-S304 PolarHBondContact O-N 3.2Å; I301-S304 PolarHBondContact O-OG 2.78Å
305	L	93.3	Very high	93.4	Very high	35 Å²	35	33.7 Å²	33.7	18%	0.183	21%	0.209	C	C	.	.	H	α-helix	trans	-82.4	-33.4	176.9	-59.4	178.1	0	0	0	112.2	I301 W312 V313 E353 E354	I301-L305 HydrophobicContact CG2-CD1 3.82Å; I301-L305 HydrophobicContact CG2-CG 4.29Å; I301-L305 PolarHBondContact O-N 3.43Å; L305-W312 HydrophobicContact CD1-CZ3 4.46Å; L305-V313 HydrophobicContact CB-CG1 4.1Å; L305-V313 HydrophobicContact CD1-CG1 4.11Å; L305-E353 HydrophobicContact CD1-CG 4.36Å; L305-E353 HydrophobicContact CD2-CG 3.94Å; L305-E354 HydrophobicContact CD1-CG 3.74Å; L305-E354 WeakPolarHBondContact CD1-OE1 3.41Å
306	G	92.8	Very high	93	Very high	27 Å²	27	36.7 Å²	36.7	28%	0.278	23%	0.225	S	C	.	.			trans	121.3	127.9	176.1	0	0	0	0	0	112	S302 G308 S309 V313	S302-G306 CarbonylContact O-C 3.53Å; S302-G306 PolarHBondContact O-N 3.09Å; G306-G308 PolarHBondContact O-N 3Å; G306-S309 PolarHBondContact O-N 3.4Å; G306-S309 PolarHBondContact O-OG 3.4Å; G306-S309 VanDerWaalsContact O-OG 3.06Å; G306-V313 WeakPolarHBondContact O-CG2 3.47Å
307	F	93.1	Very high	92.5	Very high	46 Å²	46	38.6 Å²	38.6	20%	0.202	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	111.7	-175.9	-62	-49.1	0	0	0	112.7	Y299 K303 F314 N316 I317	Y299-F307 HydrophobicContact CD2-CE1 4.29Å; Y299-F307 HydrophobicContact CE1-CZ 4.04Å; Y299-F307 AromaticContact CE2-CE1 3.82Å; Y299-F307 HydrophobicContact CE2-CE1 3.82Å; Y299-F307 AromaticContact CE2-CZ 3.91Å; Y299-F307 HydrophobicContact CE2-CZ 3.91Å; Y299-F307 AromaticContact CZ-CE1 3.94Å; Y299-F307 AromaticContact CZ-CZ 3.54Å; Y299-F307 WeakPolarHBondContact OH-CZ 3.36Å; K303-F307 HydrophobicContact CB-CE1 3.79Å; K303-F307 HydrophobicContact CB-CE2 4.49Å; K303-F307 HydrophobicContact CB-CZ 3.61Å; K303-F307 HydrophobicContact CG-CE1 4.45Å; K303-F307 HydrophobicContact CG-CE2 4.28Å; K303-F307 HydrophobicContact CG-CZ 3.79Å; F307-F314 CarbonylContact C-O 3.58Å; F307-F314 WeakPolarHBondContact CA-O 3.49Å; F307-F314 HydrophobicContact CD1-CB 3.99Å; F307-F314 AromaticContact CD1-CD1 3.8Å; F307-F314 HydrophobicContact CD1-CD1 3.8Å; F307-F314 HydrophobicContact CD1-CG 4.35Å; F307-F314 HydrophobicContact CE1-CB 4.28Å; F307-F314 HydrophobicContact CE1-CD1 4.12Å; F307-F314 HydrophobicContact CG-CD1 4.34Å; F307-N316 WeakPolarHBondContact O-CA 3.4Å; F307-N316 WeakPolarHBondContact O-CB 3.42Å; F307-I317 HydrophobicContact CD2-CB 4.24Å; F307-I317 HydrophobicContact CD2-CG2 4.05Å; F307-I317 HydrophobicContact CE2-CD1 4.37Å
308	G	89.2	Confident	92	Very high	33 Å²	33	40.1 Å²	40.1	34%	0.34	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	36.3	-177.2	0	0	0	0	0	114.6	G306 F314	G306-G308 PolarHBondContact O-N 3Å; G308-F314 PolarHBondContact N-O 3.41Å
309	S	91.5	Very high	91.5	Very high	68 Å²	68	46 Å²	46	48%	0.476	28%	0.277	S	S	.	.	S	Bend	trans	-63.1	-28.6	163.7	39.6	0	0	0	0	113.1	G306	G306-S309 PolarHBondContact O-N 3.4Å; G306-S309 PolarHBondContact O-OG 3.4Å; G306-S309 VanDerWaalsContact O-OG 3.06Å
310	D	92.1	Very high	90.9	Very high	37 Å²	37	50.9 Å²	50.9	20%	0.198	31%	0.31	C	S	.	.	S	Bend	trans	-154.5	-165	-168.3	54.7	77.3	0	0	0	110.1	W312 V313 V350	D310-W312 WeakPolarHBondContact OD1-CA 3.5Å; D310-W312 PolarHBondContact OD1-N 3.37Å; D310-V313 WeakPolarHBondContact OD1-CG2 3.47Å; D310-V313 PolarHBondContact OD1-N 3.03Å; D310-V313 WeakPolarHBondContact OD2-CG1 3.48Å; D310-V313 WeakPolarHBondContact OD2-CG2 3.48Å; D310-V350 HydrophobicContact CB-CB 4.32Å; D310-V350 HydrophobicContact CB-CG2 4.18Å
311	T	90.1	Very high	90.3	Very high	97 Å²	97	54 Å²	54	60%	0.595	32%	0.319	S	S	*	.	S	Bend	trans	-90	-13.5	-178.1	45.9	0	0	0	0	115.2	P347	T311-P347 WeakPolarHBondContact O-CB 3.35Å; T311-P347 WeakPolarHBondContact O-CG 3.34Å
312	W	92.9	Very high	89.8	Confident	3 Å²	3	54 Å²	54	1%	0.011	32%	0.316	C	S	.	.	S	Bend	trans	-100	-40.2	-173.2	178.5	88.2	0	0	0	112.8	Y298 I301 L305 D310 W335 P349 E354 F357 V358	Y298-W312 AromaticContact CD2-CH2 3.61Å; Y298-W312 HydrophobicContact CD2-CH2 3.61Å; Y298-W312 AromaticContact CD2-CZ2 3.68Å; Y298-W312 HydrophobicContact CD2-CZ2 3.68Å; Y298-W312 HydrophobicContact CD2-CZ3 4.24Å; Y298-W312 HydrophobicContact CE2-CD2 4.28Å; Y298-W312 HydrophobicContact CE2-CE3 4.29Å; Y298-W312 AromaticContact CE2-CH2 3.81Å; Y298-W312 HydrophobicContact CE2-CH2 3.81Å; Y298-W312 AromaticContact CE2-CZ2 3.79Å; Y298-W312 HydrophobicContact CE2-CZ2 3.79Å; Y298-W312 HydrophobicContact CE2-CZ3 4.06Å; Y298-W312 WeakPolarHBondContact CE2-O 3.35Å; Y298-W312 PolarHBondContact OH-O 3.23Å; I301-W312 HydrophobicContact CG2-CH2 4.12Å; I301-W312 HydrophobicContact CG2-CZ3 4Å; L305-W312 HydrophobicContact CD1-CZ3 4.46Å; D310-W312 WeakPolarHBondContact OD1-CA 3.5Å; D310-W312 PolarHBondContact OD1-N 3.37Å; W312-W335 AromaticContact CE2-CZ2 3.89Å; W312-W335 HydrophobicContact CZ2-CH2 4.24Å; W312-W335 AromaticContact CZ2-CZ2 3.64Å; W312-W335 HydrophobicContact CZ2-CZ2 3.64Å; W312-W335 AromaticContact NE1-CZ2 3.68Å; W312-W335 AromaticContact NE1-NE1 3.97Å; W312-P349 HydrophobicContact CG-CB 4.27Å; W312-E354 HydrophobicContact CD2-CB 4.19Å; W312-E354 HydrophobicContact CD2-CG 4.2Å; W312-E354 HydrophobicContact CE3-CB 4.03Å; W312-E354 HydrophobicContact CE3-CG 3.57Å; W312-E354 HydrophobicContact CZ3-CB 4.27Å; W312-E354 HydrophobicContact CZ3-CG 3.79Å; W312-F357 AromaticContact CH2-CD1 3.62Å; W312-F357 HydrophobicContact CH2-CD1 3.62Å; W312-F357 AromaticContact CH2-CE1 3.94Å; W312-F357 HydrophobicContact CH2-CE1 3.94Å; W312-F357 AromaticContact CZ2-CD1 3.59Å; W312-F357 HydrophobicContact CZ2-CD1 3.59Å; W312-F357 AromaticContact CZ2-CE1 3.85Å; W312-F357 HydrophobicContact CZ2-CE1 3.85Å; W312-V358 HydrophobicContact CZ2-CG2 3.8Å
313	V	93.7	Very high	89.2	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	33%	0.333	C	S	.	.	S	Bend	trans	-63.3	158.2	177.2	-62.8	0	0	0	0	112.6	L305 G306 D310	L305-V313 HydrophobicContact CB-CG1 4.1Å; L305-V313 HydrophobicContact CD1-CG1 4.11Å; G306-V313 WeakPolarHBondContact O-CG2 3.47Å; D310-V313 WeakPolarHBondContact OD1-CG2 3.47Å; D310-V313 PolarHBondContact OD1-N 3.03Å; D310-V313 WeakPolarHBondContact OD2-CG1 3.48Å; D310-V313 WeakPolarHBondContact OD2-CG2 3.48Å
314	F	92.7	Very high	89.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-51.6	128.6	174	-179.2	-95.8	0	0	0	111.7	Y298 Y299 S302 F307 G308 Y322 Y331	Y298-F314 PolarHBondContact OH-N 3.36Å; Y299-F314 HydrophobicContact CD2-CB 4.39Å; Y299-F314 HydrophobicContact CD2-CD1 4.47Å; Y299-F314 HydrophobicContact CD2-CD2 4.34Å; Y299-F314 HydrophobicContact CD2-CG 4.12Å; Y299-F314 AromaticContact CE2-CD1 3.96Å; Y299-F314 HydrophobicContact CE2-CD1 3.96Å; Y299-F314 HydrophobicContact CE2-CD2 4.45Å; Y299-F314 HydrophobicContact CE2-CE1 4.27Å; Y299-F314 HydrophobicContact CE2-CG 4.07Å; S302-F314 PolarHBondContact OG-N 2.95Å; F307-F314 CarbonylContact C-O 3.58Å; F307-F314 WeakPolarHBondContact CA-O 3.49Å; F307-F314 HydrophobicContact CD1-CB 3.99Å; F307-F314 AromaticContact CD1-CD1 3.8Å; F307-F314 HydrophobicContact CD1-CD1 3.8Å; F307-F314 HydrophobicContact CD1-CG 4.35Å; F307-F314 HydrophobicContact CE1-CB 4.28Å; F307-F314 HydrophobicContact CE1-CD1 4.12Å; F307-F314 HydrophobicContact CG-CD1 4.34Å; G308-F314 PolarHBondContact N-O 3.41Å; F314-Y322 HydrophobicContact CE2-CD1 4.29Å; F314-Y322 AromaticContact CZ-CD1 3.96Å; F314-Y322 HydrophobicContact CZ-CD1 3.96Å; F314-Y322 HydrophobicContact CZ-CG 4.49Å; F314-Y331 AromaticContact CD2-CD1 3.58Å; F314-Y331 HydrophobicContact CD2-CD1 3.58Å; F314-Y331 HydrophobicContact CD2-CE1 4.06Å; F314-Y331 HydrophobicContact CD2-CG 4.34Å; F314-Y331 AromaticContact CE2-CD1 3.78Å; F314-Y331 HydrophobicContact CE2-CD1 3.78Å; F314-Y331 HydrophobicContact CE2-CG 4.08Å
315	P	91	Very high	89	Confident	26 Å²	26	53.2 Å²	53.2	17%	0.169	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-56.3	149	-173.8	-29.7	36	0	0	0	115.1	I317 Y322	P315-I317 PolarHBondContact O-N 2.91Å; P315-Y322 HydrophobicContact CB-CD1 3.81Å; P315-Y322 HydrophobicContact CB-CD2 4.18Å; P315-Y322 HydrophobicContact CB-CE1 3.99Å; P315-Y322 HydrophobicContact CB-CE2 4.37Å; P315-Y322 HydrophobicContact CB-CG 3.94Å; P315-Y322 HydrophobicContact CG-CD1 3.97Å; P315-Y322 HydrophobicContact CG-CE1 3.79Å
316	N	88.5	Confident	88.9	Confident	63 Å²	63	56.3 Å²	56.3	34%	0.337	34%	0.337	S	S	.	.			trans	-52.3	114.2	-175.8	-172.1	-36.5	0	0	0	112.7	F307 S318 K319	F307-N316 WeakPolarHBondContact O-CA 3.4Å; F307-N316 WeakPolarHBondContact O-CB 3.42Å; N316-S318 PolarHBondContact O-N 3.35Å; N316-S318 WeakPolarHBondContact OD1-CB 3.27Å; N316-S318 PolarHBondContact OD1-N 3.01Å; N316-S318 PolarHBondContact OD1-OG 3.1Å; N316-K319 WeakPolarHBondContact O-CB 3.44Å; N316-K319 PolarHBondContact O-N 3.35Å
317	I	85.2	Confident	88.9	Confident	39 Å²	39	59.8 Å²	59.8	20%	0.2	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.6	-173.6	-154.3	166	0	0	0	114.2	F307 P315 K319	F307-I317 HydrophobicContact CD2-CB 4.24Å; F307-I317 HydrophobicContact CD2-CG2 4.05Å; F307-I317 HydrophobicContact CE2-CD1 4.37Å; P315-I317 PolarHBondContact O-N 2.91Å; I317-K319 VanDerWaalsContact C-N 3.29Å
318	S	84.1	Confident	88.8	Confident	101 Å²	101	57.7 Å²	57.7	71%	0.706	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.5	173	-42.9	0	0	0	0	112.6	N316	N316-S318 PolarHBondContact O-N 3.35Å; N316-S318 WeakPolarHBondContact OD1-CB 3.27Å; N316-S318 PolarHBondContact OD1-N 3.01Å; N316-S318 PolarHBondContact OD1-OG 3.1Å
319	K	85.4	Confident	89.1	Confident	125 Å²	125	59.4 Å²	59.4	54%	0.543	33%	0.33	S	S	.	.	S	Bend	trans	-70.7	126.6	169.7	-67.1	-179.2	179.7	178.9	0	108.4	N316 I317 E321 Y322 S323	N316-K319 WeakPolarHBondContact O-CB 3.44Å; N316-K319 PolarHBondContact O-N 3.35Å; I317-K319 VanDerWaalsContact C-N 3.29Å; K319-E321 PolarHBondContact O-N 3.23Å; K319-E321 VanDerWaalsContact O-N 3.11Å; K319-Y322 HydrophobicContact CB-CD2 4.11Å; K319-Y322 PolarHBondContact O-N 2.86Å; K319-S323 PolarHBondContact O-N 3.17Å
320	P	82.8	Confident	89.3	Confident	114 Å²	114	59.8 Å²	59.8	74%	0.74	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-59.3	-32.9	-170.9	21.2	-32.8	0	0	0	113.1	Y322 S323	P320-Y322 PolarHBondContact O-N 2.93Å; P320-S323 WeakPolarHBondContact O-CB 3.43Å; P320-S323 PolarHBondContact O-N 2.92Å; P320-S323 PolarHBondContact O-OG 3.16Å
321	E	83.2	Confident	89.4	Confident	104 Å²	104	59.7 Å²	59.7	49%	0.486	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-54.6	-46.9	174.2	-168.6	-161.7	153.4	0	0	112.9	K319 S323 R327	K319-E321 PolarHBondContact O-N 3.23Å; K319-E321 VanDerWaalsContact O-N 3.11Å; E321-S323 VanDerWaalsContact C-N 3.34Å; E321-R327 WeakPolarHBondContact O-CG 3.29Å; E321-R327 IonicContact OE1-CZ 2.61Å; E321-R327 IonicContact OE1-NE 3.88Å; E321-R327 PolarHBondContact OE1-NE 3.31Å; E321-R327 IonicContact OE1-NH2 3.96Å; E321-R327 PolarHBondContact OE1-NH2 2.94Å
322	Y	83.5	Confident	89.6	Confident	37 Å²	37	55.1 Å²	55.1	15%	0.145	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-88.9	-1.9	-175.1	-63.1	-87.6	0	0	0	113.1	F314 P315 K319 P320 S324 R327 Y331	F314-Y322 HydrophobicContact CE2-CD1 4.29Å; F314-Y322 AromaticContact CZ-CD1 3.96Å; F314-Y322 HydrophobicContact CZ-CD1 3.96Å; F314-Y322 HydrophobicContact CZ-CG 4.49Å; P315-Y322 HydrophobicContact CB-CD1 3.81Å; P315-Y322 HydrophobicContact CB-CD2 4.18Å; P315-Y322 HydrophobicContact CB-CE1 3.99Å; P315-Y322 HydrophobicContact CB-CE2 4.37Å; P315-Y322 HydrophobicContact CB-CG 3.94Å; P315-Y322 HydrophobicContact CG-CD1 3.97Å; P315-Y322 HydrophobicContact CG-CE1 3.79Å; K319-Y322 HydrophobicContact CB-CD2 4.11Å; K319-Y322 PolarHBondContact O-N 2.86Å; P320-Y322 PolarHBondContact O-N 2.93Å; Y322-S324 VanDerWaalsContact C-N 3.31Å; Y322-S324 PolarHBondContact O-N 3.44Å; Y322-R327 HydrophobicContact CD1-CG 4.39Å; Y322-Y331 HydrophobicContact CE1-CD2 4.46Å
323	S	83.2	Confident	89.7	Confident	52 Å²	52	57.5 Å²	57.5	36%	0.364	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-70.7	-23.6	-177.5	74.4	0	0	0	0	114.1	K171 K319 P320 E321	K171-S323 PolarHBondContact NZ-O 2.83Å; K319-S323 PolarHBondContact O-N 3.17Å; P320-S323 WeakPolarHBondContact O-CB 3.43Å; P320-S323 PolarHBondContact O-N 2.92Å; P320-S323 PolarHBondContact O-OG 3.16Å; E321-S323 VanDerWaalsContact C-N 3.34Å
324	S	90	Very high	89.7	Confident	57 Å²	57	63.2 Å²	63.2	40%	0.399	33%	0.333	S	S	.	.	S	Bend	trans	-79.6	130.2	-176.8	177.6	0	0	0	0	112.4	Y322 T326 R327 S328	Y322-S324 VanDerWaalsContact C-N 3.31Å; Y322-S324 PolarHBondContact O-N 3.44Å; S324-T326 PolarHBondContact O-N 3.12Å; S324-T326 PolarHBondContact OG-N 2.75Å; S324-R327 WeakPolarHBondContact O-CB 3.35Å; S324-R327 PolarHBondContact O-N 3.09Å; S324-S328 PolarHBondContact O-N 3.42Å; S324-S328 PolarHBondContact O-OG 2.68Å
325	L	90.6	Very high	89.7	Confident	51 Å²	51	63.4 Å²	63.4	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-52.1	-40.4	175.8	173.5	61.1	0	0	0	112.4	F169 K171 L172 S328 Y329	F169-L325 HydrophobicContact CB-CD1 3.84Å; F169-L325 HydrophobicContact CD1-CD1 4.03Å; F169-L325 HydrophobicContact CG-CD1 4.2Å; K171-L325 HydrophobicContact CB-CD1 4.4Å; L172-L325 HydrophobicContact CB-CD1 4.44Å; L172-L325 HydrophobicContact CB-CD2 3.98Å; L172-L325 HydrophobicContact CD1-CD2 4.08Å; L325-S328 PolarHBondContact O-N 3.46Å; L325-Y329 PolarHBondContact O-N 2.96Å
326	T	91.9	Very high	89.8	Confident	99 Å²	99	62.1 Å²	62.1	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-65.2	-39.1	177.9	-46	0	0	0	0	111.6	S324 V330	S324-T326 PolarHBondContact O-N 3.12Å; S324-T326 PolarHBondContact OG-N 2.75Å; T326-V330 HydrophobicContact CG2-CG2 4.34Å; T326-V330 VanDerWaalsContact O-CB 3.31Å; T326-V330 WeakPolarHBondContact O-CB 3.29Å; T326-V330 VanDerWaalsContact O-CG2 3.23Å; T326-V330 WeakPolarHBondContact O-CG2 3.08Å; T326-V330 PolarHBondContact O-N 3.15Å
327	R	91.8	Very high	90	Very high	101 Å²	101	61.5 Å²	61.5	38%	0.381	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-42.8	175.8	-175.5	63.4	161.4	161.8	-3.6	110.7	E321 Y322 S324 Y331	E321-R327 WeakPolarHBondContact O-CG 3.29Å; E321-R327 IonicContact OE1-CZ 2.61Å; E321-R327 IonicContact OE1-NE 3.88Å; E321-R327 PolarHBondContact OE1-NE 3.31Å; E321-R327 IonicContact OE1-NH2 3.96Å; E321-R327 PolarHBondContact OE1-NH2 2.94Å; Y322-R327 HydrophobicContact CD1-CG 4.39Å; S324-R327 WeakPolarHBondContact O-CB 3.35Å; S324-R327 PolarHBondContact O-N 3.09Å; R327-Y331 WeakPolarHBondContact O-CB 3.4Å; R327-Y331 PolarHBondContact O-N 3.28Å
328	S	92.3	Very high	90.4	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-52.5	175.7	-49.5	0	0	0	0	111.6	S324 L325 Y331 C332	S324-S328 PolarHBondContact O-N 3.42Å; S324-S328 PolarHBondContact O-OG 2.68Å; L325-S328 PolarHBondContact O-N 3.46Å; S328-Y331 PolarHBondContact O-N 3.11Å; S328-C332 PolarHBondContact O-N 3.11Å; S328-C332 VanDerWaalsContact O-N 3.11Å; S328-C332 PolarHBondContact O-SG 2.85Å
329	Y	94.9	Very high	90.7	Very high	70 Å²	70	55.9 Å²	55.9	28%	0.275	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-48.4	-179.2	179.9	-100.1	0	0	0	112.6	F169 H292 L325 Y331 C332 L333	F169-Y329 HydrophobicContact CD2-CD2 4.47Å; F169-Y329 AromaticContact CE2-CD2 3.83Å; F169-Y329 HydrophobicContact CE2-CD2 3.83Å; F169-Y329 AromaticContact CZ-CD2 3.99Å; F169-Y329 HydrophobicContact CZ-CD2 3.99Å; H292-Y329 AromaticContact CE1-CE2 3.82Å; H292-Y329 AromaticContact ND1-CE2 3.62Å; H292-Y329 AromaticContact ND1-CZ 3.69Å; H292-Y329 PolarHBondContact ND1-OH 3.49Å; L325-Y329 PolarHBondContact O-N 2.96Å; Y329-Y331 VanDerWaalsContact C-N 3.34Å; Y329-Y331 PolarHBondContact O-N 3.11Å; Y329-C332 PolarHBondContact O-N 3.29Å; Y329-L333 HydrophobicContact CE1-CD2 4.16Å; Y329-L333 WeakPolarHBondContact O-CB 3.36Å; Y329-L333 PolarHBondContact O-N 3.25Å
330	V	95.1	Very high	91	Very high	75 Å²	75	50.5 Å²	50.5	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-37.3	-178.9	171.3	0	0	0	0	111.8	T326 L333 Y334	T326-V330 HydrophobicContact CG2-CG2 4.34Å; T326-V330 VanDerWaalsContact O-CB 3.31Å; T326-V330 WeakPolarHBondContact O-CB 3.29Å; T326-V330 VanDerWaalsContact O-CG2 3.23Å; T326-V330 WeakPolarHBondContact O-CG2 3.08Å; T326-V330 PolarHBondContact O-N 3.15Å; V330-L333 PolarHBondContact O-N 3.23Å; V330-Y334 WeakPolarHBondContact O-CB 3.45Å; V330-Y334 PolarHBondContact O-N 2.77Å
331	Y	93.3	Very high	91.3	Very high	36 Å²	36	46.8 Å²	46.8	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-45.2	175.3	179.7	-85.8	0	0	0	112	Y298 F314 Y322 R327 S328 Y329 L333 Y334 W335	Y298-Y331 HydrophobicContact CE1-CD1 4.42Å; Y298-Y331 HydrophobicContact CE1-CE1 4.15Å; F314-Y331 AromaticContact CD2-CD1 3.58Å; F314-Y331 HydrophobicContact CD2-CD1 3.58Å; F314-Y331 HydrophobicContact CD2-CE1 4.06Å; F314-Y331 HydrophobicContact CD2-CG 4.34Å; F314-Y331 AromaticContact CE2-CD1 3.78Å; F314-Y331 HydrophobicContact CE2-CD1 3.78Å; F314-Y331 HydrophobicContact CE2-CG 4.08Å; Y322-Y331 HydrophobicContact CE1-CD2 4.46Å; R327-Y331 WeakPolarHBondContact O-CB 3.4Å; R327-Y331 PolarHBondContact O-N 3.28Å; S328-Y331 PolarHBondContact O-N 3.11Å; Y329-Y331 VanDerWaalsContact C-N 3.34Å; Y329-Y331 PolarHBondContact O-N 3.11Å; Y331-L333 VanDerWaalsContact C-N 3.33Å; Y331-L333 PolarHBondContact O-N 2.99Å; Y331-Y334 WeakPolarHBondContact O-CB 3.45Å; Y331-Y334 PolarHBondContact O-N 3.11Å; Y331-W335 WeakPolarHBondContact O-CB 3.43Å; Y331-W335 PolarHBondContact O-N 3.08Å
332	C	94.7	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-34.1	178.1	-64.1	0	0	0	0	112.4	F169 A295 Y298 S328 Y329 S336	F169-C332 HydrophobicContact CZ-CB 4.41Å; A295-C332 HydrophobicContact CB-CB 4.2Å; A295-C332 VanDerWaalsContact CB-O 3.31Å; A295-C332 WeakPolarHBondContact CB-O 3.38Å; A295-C332 WeakPolarHBondContact O-CB 3.4Å; Y298-C332 HydrophobicContact CD1-CB 3.98Å; Y298-C332 HydrophobicContact CE1-CB 4.45Å; S328-C332 PolarHBondContact O-N 3.11Å; S328-C332 VanDerWaalsContact O-N 3.11Å; S328-C332 PolarHBondContact O-SG 2.85Å; Y329-C332 PolarHBondContact O-N 3.29Å; C332-S336 WeakPolarHBondContact O-CB 3.5Å; C332-S336 PolarHBondContact O-N 3.14Å
333	L	95.3	Very high	91.8	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.277	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-39.9	173.4	-162.5	75.7	0	0	0	111.5	I291 A295 Y329 V330 Y331 T337	I291-L333 HydrophobicContact CG2-CD1 3.89Å; I291-L333 HydrophobicContact CG2-CG 4.37Å; A295-L333 HydrophobicContact CB-CB 4.49Å; A295-L333 HydrophobicContact CB-CD1 4.18Å; Y329-L333 HydrophobicContact CE1-CD2 4.16Å; Y329-L333 WeakPolarHBondContact O-CB 3.36Å; Y329-L333 PolarHBondContact O-N 3.25Å; V330-L333 PolarHBondContact O-N 3.23Å; Y331-L333 VanDerWaalsContact C-N 3.33Å; Y331-L333 PolarHBondContact O-N 2.99Å; L333-T337 WeakPolarHBondContact O-CB 3.33Å; L333-T337 PolarHBondContact O-N 3.1Å; L333-T337 PolarHBondContact O-OG1 3.23Å
334	Y	93.5	Very high	91.1	Very high	124 Å²	124	47.4 Å²	47.4	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-49.9	173.2	172.2	-97.4	0	0	0	111.9	V330 Y331 S336 T337 L338 M346	V330-Y334 WeakPolarHBondContact O-CB 3.45Å; V330-Y334 PolarHBondContact O-N 2.77Å; Y331-Y334 WeakPolarHBondContact O-CB 3.45Å; Y331-Y334 PolarHBondContact O-N 3.11Å; Y334-S336 PolarHBondContact O-N 3.24Å; Y334-T337 PolarHBondContact O-N 3.45Å; Y334-L338 HydrophobicContact CD1-CD1 4.16Å; Y334-L338 HydrophobicContact CD2-CD1 4.35Å; Y334-L338 HydrophobicContact CE1-CD1 3.55Å; Y334-L338 HydrophobicContact CE2-CD1 3.79Å; Y334-L338 HydrophobicContact CE2-CG 4.45Å; Y334-L338 PolarHBondContact O-N 2.84Å; Y334-M346 HydrophobicContact CE1-CE 4.47Å; Y334-M346 HydrophobicContact CE1-SD 4.22Å
335	W	93.1	Very high	90.3	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-50.9	-54.9	173.7	-176.7	108.8	0	0	0	110.5	Y298 W312 Y331 T337 L338 T339 M346 F357 V358	Y298-W335 HydrophobicContact CD1-CB 4.21Å; Y298-W335 AromaticContact CD1-CD2 3.95Å; Y298-W335 HydrophobicContact CD1-CD2 3.95Å; Y298-W335 HydrophobicContact CD1-CE3 4.15Å; Y298-W335 AromaticContact CD1-CG 3.91Å; Y298-W335 HydrophobicContact CD1-CG 3.91Å; Y298-W335 AromaticContact CD2-CD2 3.77Å; Y298-W335 HydrophobicContact CD2-CD2 3.77Å; Y298-W335 AromaticContact CD2-CE2 3.63Å; Y298-W335 HydrophobicContact CD2-CE3 4.03Å; Y298-W335 HydrophobicContact CD2-CG 4.31Å; Y298-W335 HydrophobicContact CD2-CH2 4.29Å; Y298-W335 AromaticContact CD2-CZ2 3.94Å; Y298-W335 HydrophobicContact CD2-CZ2 3.94Å; Y298-W335 HydrophobicContact CD2-CZ3 4.29Å; Y298-W335 AromaticContact CD2-NE1 3.89Å; Y298-W335 HydrophobicContact CE1-CB 4.05Å; Y298-W335 AromaticContact CE1-CD1 3.71Å; Y298-W335 HydrophobicContact CE1-CD2 4.15Å; Y298-W335 AromaticContact CE1-CG 3.71Å; Y298-W335 HydrophobicContact CE1-CG 3.71Å; Y298-W335 AromaticContact CE2-CD1 3.69Å; Y298-W335 AromaticContact CE2-CD2 3.99Å; Y298-W335 HydrophobicContact CE2-CD2 3.99Å; Y298-W335 AromaticContact CE2-CE2 3.65Å; Y298-W335 HydrophobicContact CE2-CG 4.14Å; Y298-W335 HydrophobicContact CE2-CZ2 4.23Å; Y298-W335 AromaticContact CE2-NE1 3.4Å; Y298-W335 AromaticContact CG-CD2 3.76Å; Y298-W335 HydrophobicContact CG-CD2 3.76Å; Y298-W335 AromaticContact CG-CE3 3.73Å; Y298-W335 HydrophobicContact CG-CE3 3.73Å; Y298-W335 HydrophobicContact CG-CG 4.21Å; Y298-W335 HydrophobicContact CG-CZ3 4.22Å; Y298-W335 AromaticContact CZ-CD1 3.38Å; Y298-W335 AromaticContact CZ-CG 3.84Å; Y298-W335 AromaticContact CZ-NE1 3.62Å; W312-W335 AromaticContact CE2-CZ2 3.89Å; W312-W335 HydrophobicContact CZ2-CH2 4.24Å; W312-W335 AromaticContact CZ2-CZ2 3.64Å; W312-W335 HydrophobicContact CZ2-CZ2 3.64Å; W312-W335 AromaticContact NE1-CZ2 3.68Å; W312-W335 AromaticContact NE1-NE1 3.97Å; Y331-W335 WeakPolarHBondContact O-CB 3.43Å; Y331-W335 PolarHBondContact O-N 3.08Å; W335-T337 VanDerWaalsContact C-N 3.35Å; W335-T337 PolarHBondContact O-N 2.93Å; W335-L338 PolarHBondContact O-N 3.07Å; W335-T339 HydrophobicContact CH2-CG2 4.06Å; W335-T339 WeakPolarHBondContact CH2-OG1 3.36Å; W335-T339 HydrophobicContact CZ3-CG2 4.4Å; W335-T339 PolarHBondContact O-N 2.91Å; W335-T339 VanDerWaalsContact O-N 3.07Å; W335-T339 PolarHBondContact O-OG1 3.03Å; W335-T339 VanDerWaalsContact O-OG1 3.11Å; W335-M346 HydrophobicContact CB-CE 4.04Å; W335-M346 VanDerWaalsContact CD1-CE 3.45Å; W335-M346 HydrophobicContact CG-CE 3.96Å; W335-F357 AromaticContact CH2-CE1 3.74Å; W335-F357 HydrophobicContact CH2-CE1 3.74Å; W335-F357 HydrophobicContact CH2-CZ 4.43Å; W335-F357 HydrophobicContact CZ2-CE1 4.47Å; W335-F357 HydrophobicContact CZ3-CE1 4.23Å; W335-V358 HydrophobicContact CZ2-CG2 4.4Å
336	S	94.1	Very high	89.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-34.8	-176.3	-176.6	0	0	0	0	113.1	I291 N294 A295 C332 Y334 L340	I291-S336 PolarHBondContact O-OG 3.48Å; N294-S336 VanDerWaalsContact CB-OG 3.23Å; N294-S336 WeakPolarHBondContact CB-OG 3.08Å; N294-S336 PolarHBondContact ND2-OG 2.92Å; A295-S336 PolarHBondContact N-OG 3.47Å; C332-S336 WeakPolarHBondContact O-CB 3.5Å; C332-S336 PolarHBondContact O-N 3.14Å; Y334-S336 PolarHBondContact O-N 3.24Å; S336-L340 WeakPolarHBondContact O-CB 3.34Å; S336-L340 WeakPolarHBondContact O-CG 3.37Å; S336-L340 PolarHBondContact O-N 3.27Å
337	T	92.8	Very high	89.4	Confident	50 Å²	50	49.4 Å²	49.4	31%	0.307	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-45.4	174.3	-57.1	0	0	0	0	110.8	I291 L333 Y334 W335 T341	I291-T337 WeakPolarHBondContact CG2-OG1 3.4Å; L333-T337 WeakPolarHBondContact O-CB 3.33Å; L333-T337 PolarHBondContact O-N 3.1Å; L333-T337 PolarHBondContact O-OG1 3.23Å; Y334-T337 PolarHBondContact O-N 3.45Å; W335-T337 VanDerWaalsContact C-N 3.35Å; W335-T337 PolarHBondContact O-N 2.93Å; T337-T341 HydrophobicContact CG2-CG2 4.29Å; T337-T341 WeakPolarHBondContact O-CB 3.47Å; T337-T341 WeakPolarHBondContact O-CG2 3.43Å; T337-T341 PolarHBondContact O-N 3.47Å; T337-T341 PolarHBondContact O-OG1 2.89Å
338	L	91.7	Very high	89.2	Confident	17 Å²	17	47.7 Å²	47.7	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-70.2	-35.4	-178.2	-72.2	176.1	0	0	0	113.1	Y334 W335 T342 I343 G344 M346	Y334-L338 HydrophobicContact CD1-CD1 4.16Å; Y334-L338 HydrophobicContact CD2-CD1 4.35Å; Y334-L338 HydrophobicContact CE1-CD1 3.55Å; Y334-L338 HydrophobicContact CE2-CD1 3.79Å; Y334-L338 HydrophobicContact CE2-CG 4.45Å; Y334-L338 PolarHBondContact O-N 2.84Å; W335-L338 PolarHBondContact O-N 3.07Å; L338-T342 PolarHBondContact O-N 2.95Å; L338-I343 HydrophobicContact CD2-CB 3.74Å; L338-I343 HydrophobicContact CD2-CD1 4.11Å; L338-I343 HydrophobicContact CD2-CG1 4.5Å; L338-I343 HydrophobicContact CD2-CG2 3.66Å; L338-I343 PolarHBondContact O-N 3.17Å; L338-G344 PolarHBondContact O-N 3.4Å; L338-M346 HydrophobicContact CB-CG 4.19Å; L338-M346 HydrophobicContact CB-SD 4.11Å; L338-M346 HydrophobicContact CD1-CG 4.49Å; L338-M346 HydrophobicContact CD1-SD 3.44Å; L338-M346 WeakPolarHBondContact CD1-SD 3.32Å; L338-M346 HydrophobicContact CG-SD 4.4Å
339	T	91.3	Very high	89.2	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-52.1	174.8	-47.5	0	0	0	0	111	W335 T341 T342 D361 F362	W335-T339 HydrophobicContact CH2-CG2 4.06Å; W335-T339 WeakPolarHBondContact CH2-OG1 3.36Å; W335-T339 HydrophobicContact CZ3-CG2 4.4Å; W335-T339 PolarHBondContact O-N 2.91Å; W335-T339 VanDerWaalsContact O-N 3.07Å; W335-T339 PolarHBondContact O-OG1 3.03Å; W335-T339 VanDerWaalsContact O-OG1 3.11Å; T339-T341 PolarHBondContact O-N 3.43Å; T339-T342 PolarHBondContact O-N 3.21Å; T339-T342 VanDerWaalsContact O-N 3.08Å; T339-D361 HydrophobicContact CG2-CB 4.43Å; T339-D361 WeakPolarHBondContact CG2-OD2 3.36Å; T339-F362 HydrophobicContact CG2-CD1 3.9Å; T339-F362 HydrophobicContact CG2-CE1 3.74Å; T339-F362 HydrophobicContact CG2-CG 4.38Å; T339-F362 HydrophobicContact CG2-CZ 4.09Å
340	L	91.1	Very high	89.2	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-72.9	-26.4	-176	-69.4	172.1	0	0	0	114.4	I290 I291 N294 S336 T342 D361	I290-L340 HydrophobicContact CG2-CD1 4.05Å; I291-L340 HydrophobicContact CB-CD1 4.4Å; I291-L340 HydrophobicContact CG1-CD1 3.84Å; N294-L340 HydrophobicContact CB-CD1 3.95Å; N294-L340 WeakPolarHBondContact ND2-CD1 3.39Å; N294-L340 WeakPolarHBondContact ND2-CG 3.28Å; S336-L340 WeakPolarHBondContact O-CB 3.34Å; S336-L340 WeakPolarHBondContact O-CG 3.37Å; S336-L340 PolarHBondContact O-N 3.27Å; L340-T342 VanDerWaalsContact C-N 3.27Å; L340-D361 WeakPolarHBondContact CD2-OD1 3.45Å
341	T	89.9	Confident	89.1	Confident	37 Å²	37	49.9 Å²	49.9	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.9	170.8	61.6	0	0	0	0	113	T337 T339 I343	T337-T341 HydrophobicContact CG2-CG2 4.29Å; T337-T341 WeakPolarHBondContact O-CB 3.47Å; T337-T341 WeakPolarHBondContact O-CG2 3.43Å; T337-T341 PolarHBondContact O-N 3.47Å; T337-T341 PolarHBondContact O-OG1 2.89Å; T339-T341 PolarHBondContact O-N 3.43Å; T341-I343 PolarHBondContact O-N 3.34Å; T341-I343 WeakPolarHBondContact OG1-CD1 3.4Å
342	T	88.1	Confident	89.1	Confident	66 Å²	66	54.4 Å²	54.4	41%	0.405	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	20.9	176.3	66	0	0	0	0	115.3	L338 T339 L340 V366	L338-T342 PolarHBondContact O-N 2.95Å; T339-T342 PolarHBondContact O-N 3.21Å; T339-T342 VanDerWaalsContact O-N 3.08Å; L340-T342 VanDerWaalsContact C-N 3.27Å; T342-V366 HydrophobicContact CG2-CG2 3.7Å
343	I	88.6	Confident	89.1	Confident	105 Å²	105	58.4 Å²	58.4	54%	0.538	32%	0.317	S	S	.	.			trans	-75.3	-33.8	176.6	-62.3	173.7	0	0	0	110.7	L338 T341 E345	L338-I343 HydrophobicContact CD2-CB 3.74Å; L338-I343 HydrophobicContact CD2-CD1 4.11Å; L338-I343 HydrophobicContact CD2-CG1 4.5Å; L338-I343 HydrophobicContact CD2-CG2 3.66Å; L338-I343 PolarHBondContact O-N 3.17Å; T341-I343 PolarHBondContact O-N 3.34Å; T341-I343 WeakPolarHBondContact OG1-CD1 3.4Å; I343-E345 PolarHBondContact O-N 3.28Å
344	G	68.6	Low	89	Confident	35 Å²	35	55.9 Å²	55.9	36%	0.361	30%	0.303	S	S	.	.			trans	75.3	3.4	156.6	0	0	0	0	0	118.7	L338 M346	L338-G344 PolarHBondContact O-N 3.4Å; G344-M346 PolarHBondContact O-N 2.97Å
345	E	74.2	Confident	89	Confident	158 Å²	158	55.6 Å²	55.6	74%	0.738	30%	0.302	S	S	*	.			trans	-73.9	46.1	179	-61.9	-167.2	155.2	0	0	114.4	I343	I343-E345 PolarHBondContact O-N 3.28Å
346	M	79.2	Confident	89.1	Confident	38 Å²	38	61.6 Å²	61.6	19%	0.187	33%	0.334	C	S	.	.	S	Bend	trans	-109.9	156.2	-179.6	-59.3	-48.3	-62.1	0	0	112.1	Y334 W335 L338 G344	Y334-M346 HydrophobicContact CE1-CE 4.47Å; Y334-M346 HydrophobicContact CE1-SD 4.22Å; W335-M346 HydrophobicContact CB-CE 4.04Å; W335-M346 VanDerWaalsContact CD1-CE 3.45Å; W335-M346 HydrophobicContact CG-CE 3.96Å; L338-M346 HydrophobicContact CB-CG 4.19Å; L338-M346 HydrophobicContact CB-SD 4.11Å; L338-M346 HydrophobicContact CD1-CG 4.49Å; L338-M346 HydrophobicContact CD1-SD 3.44Å; L338-M346 WeakPolarHBondContact CD1-SD 3.32Å; L338-M346 HydrophobicContact CG-SD 4.4Å; G344-M346 PolarHBondContact O-N 2.97Å
347	P	84.6	Confident	89.1	Confident	53 Å²	53	63 Å²	63	34%	0.344	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.3	144.2	174.1	-24	34.4	0	0	0	111.9	T311	T311-P347 WeakPolarHBondContact O-CB 3.35Å; T311-P347 WeakPolarHBondContact O-CG 3.34Å
348	A	87.5	Confident	89.1	Confident	65 Å²	65	61.2 Å²	61.2	54%	0.537	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-65.8	141.2	174.8	0	0	0	0	0	111
349	P	92.3	Very high	89.1	Confident	16 Å²	16	65 Å²	65	10%	0.104	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-61	152.8	167.4	27.5	-34.1	0	0	0	111	W312 E354 Y355 V358	W312-P349 HydrophobicContact CG-CB 4.27Å; P349-E354 HydrophobicContact CB-CB 3.53Å; P349-Y355 HydrophobicContact CB-CD2 4.19Å; P349-Y355 HydrophobicContact CB-CE2 4.33Å; P349-Y355 HydrophobicContact CB-CG 4.27Å; P349-Y355 HydrophobicContact CG-CD1 3.69Å; P349-Y355 HydrophobicContact CG-CD2 4.17Å; P349-Y355 HydrophobicContact CG-CE1 3.75Å; P349-Y355 HydrophobicContact CG-CE2 4.2Å; P349-Y355 HydrophobicContact CG-CG 3.9Å; P349-Y355 VanDerWaalsContact O-CE2 3.26Å; P349-Y355 WeakPolarHBondContact O-CE2 3.28Å; P349-Y355 VanDerWaalsContact O-CZ 3.3Å; P349-Y355 PolarHBondContact O-OH 2.92Å; P349-Y355 VanDerWaalsContact O-OH 3.12Å; P349-V358 HydrophobicContact CB-CG2 4.41Å; P349-V358 HydrophobicContact CG-CB 4.41Å; P349-V358 HydrophobicContact CG-CG2 4.33Å
350	V	93.4	Very high	89.2	Confident	85 Å²	85	71.3 Å²	71.3	52%	0.515	38%	0.38	S	S	.	.			trans	-117.1	-29.1	-174.2	-177.4	0	0	0	0	111.4	D310 E354	D310-V350 HydrophobicContact CB-CB 4.32Å; D310-V350 HydrophobicContact CB-CG2 4.18Å; V350-E354 PolarHBondContact N-OE2 3.48Å
351	R	93.4	Very high	89.3	Confident	91 Å²	91	71.2 Å²	71.2	34%	0.343	38%	0.38	S	S	.	.	S	Bend	trans	-110.9	150.7	-175.2	-52	169.3	61.4	151.1	-4.9	111.8	E353 E354 Y355	R351-E353 VanDerWaalsContact C-N 3.27Å; R351-E353 HydrophobicContact CB-CG 4.31Å; R351-E353 WeakPolarHBondContact CB-OE2 3.36Å; R351-E353 IonicContact CZ-OE1 2.66Å; R351-E353 IonicContact NE-OE1 3.44Å; R351-E353 PolarHBondContact NE-OE1 3.44Å; R351-E353 IonicContact NH2-OE1 2.7Å; R351-E353 PolarHBondContact NH2-OE1 2.93Å; R351-E353 PolarHBondContact O-N 3Å; R351-E354 HydrophobicContact CB-CG 3.98Å; R351-E354 VanDerWaalsContact CD-OE1 3.31Å; R351-E354 WeakPolarHBondContact CD-OE1 3.33Å; R351-E354 PolarHBondContact N-OE2 3.36Å; R351-E354 WeakPolarHBondContact O-CA 3.39Å; R351-E354 WeakPolarHBondContact O-CB 3.44Å; R351-E354 PolarHBondContact O-N 3Å; R351-Y355 WeakPolarHBondContact O-CD2 3.38Å; R351-Y355 PolarHBondContact O-N 3.45Å
352	D	94.7	Very high	89.4	Confident	131 Å²	131	73 Å²	73	70%	0.701	38%	0.384	S	S	*	.	H	α-helix	trans	-57.4	-39.2	-176.5	-67	-23.9	0	0	0	112.5	E354 Y355 L356	D352-E354 VanDerWaalsContact C-N 3.29Å; D352-E354 PolarHBondContact O-N 3.39Å; D352-Y355 PolarHBondContact O-N 2.88Å; D352-L356 WeakPolarHBondContact O-CG 3.22Å; D352-L356 PolarHBondContact O-N 3.24Å
353	E	92.9	Very high	89.6	Confident	83 Å²	83	75.1 Å²	75.1	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-29	175.8	60.3	-91.3	-140.3	0	0	113.6	L305 R351 F357	L305-E353 HydrophobicContact CD1-CG 4.36Å; L305-E353 HydrophobicContact CD2-CG 3.94Å; R351-E353 VanDerWaalsContact C-N 3.27Å; R351-E353 HydrophobicContact CB-CG 4.31Å; R351-E353 WeakPolarHBondContact CB-OE2 3.36Å; R351-E353 IonicContact CZ-OE1 2.66Å; R351-E353 IonicContact NE-OE1 3.44Å; R351-E353 PolarHBondContact NE-OE1 3.44Å; R351-E353 IonicContact NH2-OE1 2.7Å; R351-E353 PolarHBondContact NH2-OE1 2.93Å; R351-E353 PolarHBondContact O-N 3Å; E353-F357 WeakPolarHBondContact O-CB 3.48Å; E353-F357 PolarHBondContact O-N 3.49Å; E353-F357 VanDerWaalsContact O-N 3.16Å
354	E	94.1	Very high	89.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-78	-41.8	175	-57.3	167.3	169.7	0	0	110.5	L305 W312 P349 V350 R351 D352 L356 F357 V358	L305-E354 HydrophobicContact CD1-CG 3.74Å; L305-E354 WeakPolarHBondContact CD1-OE1 3.41Å; W312-E354 HydrophobicContact CD2-CB 4.19Å; W312-E354 HydrophobicContact CD2-CG 4.2Å; W312-E354 HydrophobicContact CE3-CB 4.03Å; W312-E354 HydrophobicContact CE3-CG 3.57Å; W312-E354 HydrophobicContact CZ3-CB 4.27Å; W312-E354 HydrophobicContact CZ3-CG 3.79Å; P349-E354 HydrophobicContact CB-CB 3.53Å; V350-E354 PolarHBondContact N-OE2 3.48Å; R351-E354 HydrophobicContact CB-CG 3.98Å; R351-E354 VanDerWaalsContact CD-OE1 3.31Å; R351-E354 WeakPolarHBondContact CD-OE1 3.33Å; R351-E354 PolarHBondContact N-OE2 3.36Å; R351-E354 WeakPolarHBondContact O-CA 3.39Å; R351-E354 WeakPolarHBondContact O-CB 3.44Å; R351-E354 PolarHBondContact O-N 3Å; D352-E354 VanDerWaalsContact C-N 3.29Å; D352-E354 PolarHBondContact O-N 3.39Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.05Å; E354-F357 PolarHBondContact O-N 2.97Å; E354-V358 WeakPolarHBondContact O-CB 3.5Å; E354-V358 VanDerWaalsContact O-CG2 3.28Å; E354-V358 WeakPolarHBondContact O-CG2 3.49Å; E354-V358 PolarHBondContact O-N 3.15Å
355	Y	93.8	Very high	90.9	Very high	118 Å²	118	70.7 Å²	70.7	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-46.3	171.9	-85.4	-79.7	0	0	0	111.3	P349 R351 D352 F357 V358 V359	P349-Y355 HydrophobicContact CB-CD2 4.19Å; P349-Y355 HydrophobicContact CB-CE2 4.33Å; P349-Y355 HydrophobicContact CB-CG 4.27Å; P349-Y355 HydrophobicContact CG-CD1 3.69Å; P349-Y355 HydrophobicContact CG-CD2 4.17Å; P349-Y355 HydrophobicContact CG-CE1 3.75Å; P349-Y355 HydrophobicContact CG-CE2 4.2Å; P349-Y355 HydrophobicContact CG-CG 3.9Å; P349-Y355 VanDerWaalsContact O-CE2 3.26Å; P349-Y355 WeakPolarHBondContact O-CE2 3.28Å; P349-Y355 VanDerWaalsContact O-CZ 3.3Å; P349-Y355 PolarHBondContact O-OH 2.92Å; P349-Y355 VanDerWaalsContact O-OH 3.12Å; R351-Y355 WeakPolarHBondContact O-CD2 3.38Å; R351-Y355 PolarHBondContact O-N 3.45Å; D352-Y355 PolarHBondContact O-N 2.88Å; Y355-F357 PolarHBondContact O-N 2.69Å; Y355-V358 PolarHBondContact O-N 3.39Å; Y355-V359 WeakPolarHBondContact O-CB 3.3Å; Y355-V359 VanDerWaalsContact O-CG2 3.25Å; Y355-V359 WeakPolarHBondContact O-CG2 3.32Å; Y355-V359 PolarHBondContact O-N 2.88Å
356	L	94.8	Very high	91.7	Very high	129 Å²	129	66.9 Å²	66.9	68%	0.675	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-43.1	177.3	-73	171.9	0	0	0	112.2	D352 E354 F360	D352-L356 WeakPolarHBondContact O-CG 3.22Å; D352-L356 PolarHBondContact O-N 3.24Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.05Å; L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 2.7Å; L356-F360 VanDerWaalsContact O-N 3.13Å
357	F	93.8	Very high	92.3	Very high	29 Å²	29	70.2 Å²	70.2	13%	0.127	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-46.9	176.2	172.8	-110.7	0	0	0	112.3	I297 I301 W312 W335 E353 E354 Y355 F360 D361	I297-F357 HydrophobicContact CG2-CE2 3.74Å; I297-F357 HydrophobicContact CG2-CZ 4.05Å; I301-F357 HydrophobicContact CD1-CB 4.38Å; I301-F357 HydrophobicContact CD1-CD1 3.88Å; I301-F357 HydrophobicContact CD1-CD2 3.5Å; I301-F357 HydrophobicContact CD1-CE1 3.99Å; I301-F357 HydrophobicContact CD1-CE2 3.64Å; I301-F357 HydrophobicContact CD1-CG 3.63Å; I301-F357 HydrophobicContact CD1-CZ 3.89Å; W312-F357 AromaticContact CH2-CD1 3.62Å; W312-F357 HydrophobicContact CH2-CD1 3.62Å; W312-F357 AromaticContact CH2-CE1 3.94Å; W312-F357 HydrophobicContact CH2-CE1 3.94Å; W312-F357 AromaticContact CZ2-CD1 3.59Å; W312-F357 HydrophobicContact CZ2-CD1 3.59Å; W312-F357 AromaticContact CZ2-CE1 3.85Å; W312-F357 HydrophobicContact CZ2-CE1 3.85Å; W335-F357 AromaticContact CH2-CE1 3.74Å; W335-F357 HydrophobicContact CH2-CE1 3.74Å; W335-F357 HydrophobicContact CH2-CZ 4.43Å; W335-F357 HydrophobicContact CZ2-CE1 4.47Å; W335-F357 HydrophobicContact CZ3-CE1 4.23Å; E353-F357 WeakPolarHBondContact O-CB 3.48Å; E353-F357 PolarHBondContact O-N 3.49Å; E353-F357 VanDerWaalsContact O-N 3.16Å; E354-F357 PolarHBondContact O-N 2.97Å; Y355-F357 PolarHBondContact O-N 2.69Å; F357-F360 PolarHBondContact O-N 3.05Å; F357-D361 WeakPolarHBondContact O-CB 3.42Å; F357-D361 PolarHBondContact O-N 3.36Å
358	V	92.9	Very high	92.5	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.085	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-39.2	-179	169.6	0	0	0	0	111.9	W312 W335 P349 E354 Y355 D361 F362	W312-V358 HydrophobicContact CZ2-CG2 3.8Å; W335-V358 HydrophobicContact CZ2-CG2 4.4Å; P349-V358 HydrophobicContact CB-CG2 4.41Å; P349-V358 HydrophobicContact CG-CB 4.41Å; P349-V358 HydrophobicContact CG-CG2 4.33Å; E354-V358 WeakPolarHBondContact O-CB 3.5Å; E354-V358 VanDerWaalsContact O-CG2 3.28Å; E354-V358 WeakPolarHBondContact O-CG2 3.49Å; E354-V358 PolarHBondContact O-N 3.15Å; Y355-V358 PolarHBondContact O-N 3.39Å; V358-D361 PolarHBondContact O-N 2.88Å; V358-F362 HydrophobicContact CG1-CD2 3.56Å; V358-F362 HydrophobicContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact CG1-CE2 3.44Å; V358-F362 WeakPolarHBondContact O-CB 3.42Å; V358-F362 VanDerWaalsContact O-CD2 3.28Å; V358-F362 WeakPolarHBondContact O-CD2 3.31Å; V358-F362 PolarHBondContact O-N 3.22Å
359	V	92.9	Very high	92.5	Very high	97 Å²	97	71 Å²	71	59%	0.588	36%	0.357	S	S	*	.	H	α-helix	trans	-64.5	-40.3	174.4	168.3	0	0	0	0	111.3	Y355 L363	Y355-V359 WeakPolarHBondContact O-CB 3.3Å; Y355-V359 VanDerWaalsContact O-CG2 3.25Å; Y355-V359 WeakPolarHBondContact O-CG2 3.32Å; Y355-V359 PolarHBondContact O-N 2.88Å; V359-L363 WeakPolarHBondContact O-CB 3.48Å; V359-L363 PolarHBondContact O-N 3.14Å; V359-L363 VanDerWaalsContact O-N 3.11Å
360	F	93.4	Very high	92.5	Very high	135 Å²	135	73.1 Å²	73.1	59%	0.592	38%	0.376	S	S	*	.	H	α-helix	trans	-66	-46.8	175.1	178.1	-97.1	0	0	0	112.1	L356 F357 F362 L363 V364	L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 2.7Å; L356-F360 VanDerWaalsContact O-N 3.13Å; F357-F360 PolarHBondContact O-N 3.05Å; F360-F362 PolarHBondContact O-N 2.94Å; F360-L363 PolarHBondContact O-N 3.14Å; F360-V364 HydrophobicContact CD1-CG2 4.31Å; F360-V364 HydrophobicContact CD2-CG2 4.4Å; F360-V364 HydrophobicContact CE1-CG2 3.91Å; F360-V364 HydrophobicContact CE2-CG2 4.02Å; F360-V364 HydrophobicContact CZ-CG2 3.76Å; F360-V364 WeakPolarHBondContact O-CB 3.34Å; F360-V364 WeakPolarHBondContact O-CG2 3.35Å; F360-V364 PolarHBondContact O-N 3.29Å
361	D	92.9	Very high	92.4	Very high	10 Å²	10	73.1 Å²	73.1	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-36.9	-178.8	-165.3	46.6	0	0	0	112.2	N294 T339 L340 F357 V358 G365	N294-D361 PolarHBondContact ND2-OD1 3.35Å; N294-D361 PolarHBondContact ND2-OD2 3.37Å; T339-D361 HydrophobicContact CG2-CB 4.43Å; T339-D361 WeakPolarHBondContact CG2-OD2 3.36Å; L340-D361 WeakPolarHBondContact CD2-OD1 3.45Å; F357-D361 WeakPolarHBondContact O-CB 3.42Å; F357-D361 PolarHBondContact O-N 3.36Å; V358-D361 PolarHBondContact O-N 2.88Å; D361-G365 WeakPolarHBondContact O-CA 3.48Å; D361-G365 PolarHBondContact O-N 3.03Å
362	F	91.9	Very high	92.1	Very high	75 Å²	75	69.7 Å²	69.7	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-43.2	170.9	-82.7	-51.6	0	0	0	112.7	T339 V358 F360 V364 G365 V366	T339-F362 HydrophobicContact CG2-CD1 3.9Å; T339-F362 HydrophobicContact CG2-CE1 3.74Å; T339-F362 HydrophobicContact CG2-CG 4.38Å; T339-F362 HydrophobicContact CG2-CZ 4.09Å; V358-F362 HydrophobicContact CG1-CD2 3.56Å; V358-F362 HydrophobicContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact CG1-CE2 3.44Å; V358-F362 WeakPolarHBondContact O-CB 3.42Å; V358-F362 VanDerWaalsContact O-CD2 3.28Å; V358-F362 WeakPolarHBondContact O-CD2 3.31Å; V358-F362 PolarHBondContact O-N 3.22Å; F360-F362 PolarHBondContact O-N 2.94Å; F362-V364 PolarHBondContact O-N 2.9Å; F362-G365 PolarHBondContact O-N 2.97Å; F362-V366 WeakPolarHBondContact O-CB 3.37Å; F362-V366 VanDerWaalsContact O-CG2 3.27Å; F362-V366 WeakPolarHBondContact O-CG2 2.93Å; F362-V366 PolarHBondContact O-N 2.96Å
363	L	92.4	Very high	91.8	Very high	110 Å²	110	67.2 Å²	67.2	58%	0.576	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-45	178.1	179.1	62.9	0	0	0	111.4	V359 F360 L367	V359-L363 WeakPolarHBondContact O-CB 3.48Å; V359-L363 PolarHBondContact O-N 3.14Å; V359-L363 VanDerWaalsContact O-N 3.11Å; F360-L363 PolarHBondContact O-N 3.14Å; L363-L367 HydrophobicContact CD1-CD1 4.38Å; L363-L367 HydrophobicContact CG-CD1 4.44Å; L363-L367 VanDerWaalsContact O-CG 3.31Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 3.39Å
364	V	91.6	Very high	91.7	Very high	46 Å²	46	65.3 Å²	65.3	28%	0.279	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-44.1	176.4	169.9	0	0	0	0	111	F360 F362 L367 I368	F360-V364 HydrophobicContact CD1-CG2 4.31Å; F360-V364 HydrophobicContact CD2-CG2 4.4Å; F360-V364 HydrophobicContact CE1-CG2 3.91Å; F360-V364 HydrophobicContact CE2-CG2 4.02Å; F360-V364 HydrophobicContact CZ-CG2 3.76Å; F360-V364 WeakPolarHBondContact O-CB 3.34Å; F360-V364 WeakPolarHBondContact O-CG2 3.35Å; F360-V364 PolarHBondContact O-N 3.29Å; F362-V364 PolarHBondContact O-N 2.9Å; V364-L367 PolarHBondContact O-N 3.2Å; V364-I368 HydrophobicContact CG1-CD1 3.51Å; V364-I368 HydrophobicContact CG1-CG1 4.32Å; V364-I368 WeakPolarHBondContact O-CB 3.32Å; V364-I368 VanDerWaalsContact O-CG1 3.3Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 3.16Å
365	G	91.1	Very high	91.4	Very high	1 Å²	1	69 Å²	69	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-48.7	178.2	0	0	0	0	0	113.2	D361 F362 L367 I368 F369	D361-G365 WeakPolarHBondContact O-CA 3.48Å; D361-G365 PolarHBondContact O-N 3.03Å; F362-G365 PolarHBondContact O-N 2.97Å; G365-L367 PolarHBondContact O-N 3.23Å; G365-I368 PolarHBondContact O-N 2.86Å; G365-F369 WeakPolarHBondContact O-CB 3.38Å; G365-F369 PolarHBondContact O-N 3Å
366	V	91.8	Very high	91.1	Very high	78 Å²	78	66 Å²	66	47%	0.473	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-47	176.5	169.1	0	0	0	0	111.3	T342 F362 A370	T342-V366 HydrophobicContact CG2-CG2 3.7Å; F362-V366 WeakPolarHBondContact O-CB 3.37Å; F362-V366 VanDerWaalsContact O-CG2 3.27Å; F362-V366 WeakPolarHBondContact O-CG2 2.93Å; F362-V366 PolarHBondContact O-N 2.96Å; V366-A370 VanDerWaalsContact O-CB 3.26Å; V366-A370 WeakPolarHBondContact O-CB 3.44Å; V366-A370 PolarHBondContact O-N 2.95Å
367	L	92.1	Very high	90.9	Very high	108 Å²	108	61.7 Å²	61.7	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-65.7	-43	-179.8	-70	170.8	0	0	0	112.2	L363 V364 G365 T371	L363-L367 HydrophobicContact CD1-CD1 4.38Å; L363-L367 HydrophobicContact CG-CD1 4.44Å; L363-L367 VanDerWaalsContact O-CG 3.31Å; L363-L367 WeakPolarHBondContact O-CG 3.43Å; L363-L367 PolarHBondContact O-N 3.39Å; V364-L367 PolarHBondContact O-N 3.2Å; G365-L367 PolarHBondContact O-N 3.23Å; L367-T371 WeakPolarHBondContact O-CB 3.38Å; L367-T371 PolarHBondContact O-N 3.17Å; L367-T371 VanDerWaalsContact O-N 3.1Å; L367-T371 PolarHBondContact O-OG1 3.33Å
368	I	89.8	Confident	90.7	Very high	51 Å²	51	63.3 Å²	63.3	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-64.9	-49.6	177.1	-74.1	175.2	0	0	0	110.4	I290 V364 G365 A370 T371 I372	I290-I368 HydrophobicContact CD1-CD1 4.42Å; I290-I368 HydrophobicContact CD1-CG2 4.28Å; I290-I368 HydrophobicContact CG2-CD1 4.22Å; V364-I368 HydrophobicContact CG1-CD1 3.51Å; V364-I368 HydrophobicContact CG1-CG1 4.32Å; V364-I368 WeakPolarHBondContact O-CB 3.32Å; V364-I368 VanDerWaalsContact O-CG1 3.3Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 3.16Å; G365-I368 PolarHBondContact O-N 2.86Å; I368-A370 PolarHBondContact O-N 2.75Å; I368-T371 WeakPolarHBondContact O-CB 3.46Å; I368-T371 PolarHBondContact O-N 2.94Å; I368-I372 HydrophobicContact CG2-CD1 3.49Å; I368-I372 VanDerWaalsContact CG2-CD1 3.49Å; I368-I372 HydrophobicContact CG2-CG1 4.42Å; I368-I372 VanDerWaalsContact O-CD1 3.32Å; I368-I372 WeakPolarHBondContact O-CD1 3.42Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.46Å; I368-I372 PolarHBondContact O-N 2.71Å
369	F	87.4	Confident	90.4	Very high	85 Å²	85	64 Å²	64	37%	0.373	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-44.5	-179.2	-173.9	-103	0	0	0	112.3	G365 T371 I372 V373	G365-F369 WeakPolarHBondContact O-CB 3.38Å; G365-F369 PolarHBondContact O-N 3Å; F369-T371 VanDerWaalsContact C-N 3.34Å; F369-T371 PolarHBondContact O-N 3.05Å; F369-I372 PolarHBondContact O-N 2.74Å; F369-V373 HydrophobicContact CD1-CG2 4.27Å; F369-V373 HydrophobicContact CE1-CG2 3.9Å; F369-V373 HydrophobicContact CE2-CG2 4.16Å; F369-V373 HydrophobicContact CZ-CG2 3.84Å; F369-V373 WeakPolarHBondContact O-CG2 3.5Å; F369-V373 PolarHBondContact O-N 2.67Å
370	A	91.3	Very high	90.2	Very high	60 Å²	60	63.2 Å²	63.2	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-43.1	174.8	0	0	0	0	0	112	V366 I368 V373 G374	V366-A370 VanDerWaalsContact O-CB 3.26Å; V366-A370 WeakPolarHBondContact O-CB 3.44Å; V366-A370 PolarHBondContact O-N 2.95Å; I368-A370 PolarHBondContact O-N 2.75Å; A370-V373 PolarHBondContact O-N 3.41Å; A370-G374 PolarHBondContact O-N 2.57Å
371	T	90.6	Very high	89.9	Confident	84 Å²	84	59.7 Å²	59.7	52%	0.515	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.9	-56.5	0	0	0	0	111.7	L367 I368 F369 N375	L367-T371 WeakPolarHBondContact O-CB 3.38Å; L367-T371 PolarHBondContact O-N 3.17Å; L367-T371 VanDerWaalsContact O-N 3.1Å; L367-T371 PolarHBondContact O-OG1 3.33Å; I368-T371 WeakPolarHBondContact O-CB 3.46Å; I368-T371 PolarHBondContact O-N 2.94Å; F369-T371 VanDerWaalsContact C-N 3.34Å; F369-T371 PolarHBondContact O-N 3.05Å; T371-N375 WeakPolarHBondContact O-CB 3.33Å; T371-N375 PolarHBondContact O-N 2.9Å; T371-N375 PolarHBondContact O-ND2 3Å
372	I	88.6	Confident	89.6	Confident	20 Å²	20	63.7 Å²	63.7	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-52.6	175.7	-72.2	154.6	0	0	0	111	L283 I287 I368 F369 G374 N375 I376	L283-I372 HydrophobicContact CD1-CG1 4.12Å; L283-I372 HydrophobicContact CD2-CG2 4.44Å; I287-I372 HydrophobicContact CD1-CD1 3.92Å; I287-I372 HydrophobicContact CD1-CG1 4.13Å; I287-I372 HydrophobicContact CD1-CG2 3.62Å; I287-I372 HydrophobicContact CG1-CD1 3.53Å; I287-I372 HydrophobicContact CG1-CG1 4.05Å; I287-I372 HydrophobicContact CG1-CG2 4.45Å; I368-I372 HydrophobicContact CG2-CD1 3.49Å; I368-I372 VanDerWaalsContact CG2-CD1 3.49Å; I368-I372 HydrophobicContact CG2-CG1 4.42Å; I368-I372 VanDerWaalsContact O-CD1 3.32Å; I368-I372 WeakPolarHBondContact O-CD1 3.42Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.46Å; I368-I372 PolarHBondContact O-N 2.71Å; F369-I372 PolarHBondContact O-N 2.74Å; I372-G374 VanDerWaalsContact C-N 3.34Å; I372-G374 PolarHBondContact O-N 3.05Å; I372-N375 PolarHBondContact O-N 2.88Å; I372-I376 HydrophobicContact CG2-CD1 3.7Å; I372-I376 HydrophobicContact CG2-CG1 4.42Å; I372-I376 WeakPolarHBondContact O-CG1 3.49Å; I372-I376 PolarHBondContact O-N 3.4Å
373	V	87.1	Confident	89.3	Confident	78 Å²	78	65.2 Å²	65.2	47%	0.473	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-40.4	-176	173	0	0	0	0	110.8	F369 A370 I376 G377	F369-V373 HydrophobicContact CD1-CG2 4.27Å; F369-V373 HydrophobicContact CE1-CG2 3.9Å; F369-V373 HydrophobicContact CE2-CG2 4.16Å; F369-V373 HydrophobicContact CZ-CG2 3.84Å; F369-V373 WeakPolarHBondContact O-CG2 3.5Å; F369-V373 PolarHBondContact O-N 2.67Å; A370-V373 PolarHBondContact O-N 3.41Å; V373-I376 PolarHBondContact O-N 2.91Å; V373-G377 PolarHBondContact O-N 2.76Å
374	G	90.9	Very high	89	Confident	44 Å²	44	63.3 Å²	63.3	45%	0.454	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-46.7	172.5	0	0	0	0	0	112.9	A370 I372 G377 S378	A370-G374 PolarHBondContact O-N 2.57Å; I372-G374 VanDerWaalsContact C-N 3.34Å; I372-G374 PolarHBondContact O-N 3.05Å; G374-G377 PolarHBondContact O-N 2.81Å; G374-S378 PolarHBondContact O-N 3.33Å
375	N	88.3	Confident	88.9	Confident	77 Å²	77	63.3 Å²	63.3	41%	0.412	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-41.7	178.5	-74.1	-18.4	0	0	0	112.5	L283 T371 I372 S378 M379	L283-N375 HydrophobicContact CD2-CB 4.13Å; T371-N375 WeakPolarHBondContact O-CB 3.33Å; T371-N375 PolarHBondContact O-N 2.9Å; T371-N375 PolarHBondContact O-ND2 3Å; I372-N375 PolarHBondContact O-N 2.88Å; N375-S378 PolarHBondContact O-N 3.02Å; N375-M379 HydrophobicContact CB-CE 4.15Å; N375-M379 WeakPolarHBondContact O-CG 3.34Å; N375-M379 PolarHBondContact O-N 3.14Å
376	I	88.6	Confident	88.6	Confident	55 Å²	55	67.6 Å²	67.6	28%	0.282	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-45.3	174.7	-68	172	0	0	0	110.4	L283 I372 V373 S378 M379 I380	L283-I376 HydrophobicContact CD2-CD1 4.19Å; L283-I376 HydrophobicContact CD2-CG1 3.58Å; I372-I376 HydrophobicContact CG2-CD1 3.7Å; I372-I376 HydrophobicContact CG2-CG1 4.42Å; I372-I376 WeakPolarHBondContact O-CG1 3.49Å; I372-I376 PolarHBondContact O-N 3.4Å; V373-I376 PolarHBondContact O-N 2.91Å; I376-S378 PolarHBondContact O-N 3.31Å; I376-M379 PolarHBondContact O-N 3.34Å; I376-I380 HydrophobicContact CG2-CD1 3.7Å; I376-I380 HydrophobicContact CG2-CG1 4.39Å; I376-I380 WeakPolarHBondContact O-CG1 3.37Å; I376-I380 PolarHBondContact O-N 3.36Å
377	G	89.9	Confident	88.3	Confident	38 Å²	38	71.3 Å²	71.3	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-57.8	-45.6	176.1	0	0	0	0	0	112.6	V373 G374 I380 A381	V373-G377 PolarHBondContact O-N 2.76Å; G374-G377 PolarHBondContact O-N 2.81Å; G377-I380 PolarHBondContact O-N 3.19Å; G377-A381 WeakPolarHBondContact O-CB 3.32Å; G377-A381 PolarHBondContact O-N 2.97Å
378	S	89.4	Confident	88.2	Confident	63 Å²	63	69.1 Å²	69.1	44%	0.441	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-45.3	174.8	-175.9	0	0	0	0	112.4	G374 N375 I376 I380 A381 N382	G374-S378 PolarHBondContact O-N 3.33Å; N375-S378 PolarHBondContact O-N 3.02Å; I376-S378 PolarHBondContact O-N 3.31Å; S378-I380 PolarHBondContact O-N 3.21Å; S378-A381 PolarHBondContact O-N 2.65Å; S378-N382 WeakPolarHBondContact O-CB 3.32Å; S378-N382 VanDerWaalsContact O-CG 3.24Å; S378-N382 PolarHBondContact O-N 3.17Å; S378-N382 PolarHBondContact O-ND2 3.05Å; S378-N382 PolarHBondContact OG-ND2 3.46Å
379	M	86.9	Confident	88.2	Confident	28 Å²	28	71.3 Å²	71.3	14%	0.138	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-40	176.6	-71.3	-178.1	-133.2	0	0	112.7	R279 I280 L283 N375 I376 M383	R279-M379 HydrophobicContact CB-CE 4.24Å; R279-M379 HydrophobicContact CB-SD 3.54Å; R279-M379 VanDerWaalsContact CB-SD 3.54Å; I280-M379 HydrophobicContact CG1-SD 3.8Å; L283-M379 HydrophobicContact CD2-CE 3.87Å; N375-M379 HydrophobicContact CB-CE 4.15Å; N375-M379 WeakPolarHBondContact O-CG 3.34Å; N375-M379 PolarHBondContact O-N 3.14Å; I376-M379 PolarHBondContact O-N 3.34Å; M379-M383 VanDerWaalsContact O-CB 3.29Å; M379-M383 WeakPolarHBondContact O-CB 3.25Å; M379-M383 PolarHBondContact O-N 2.94Å
380	I	87.8	Confident	88.3	Confident	82 Å²	82	68.3 Å²	68.3	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-68.4	-39	177.3	-68.1	169.8	0	0	0	111.2	I376 G377 S378 N384	I376-I380 HydrophobicContact CG2-CD1 3.7Å; I376-I380 HydrophobicContact CG2-CG1 4.39Å; I376-I380 WeakPolarHBondContact O-CG1 3.37Å; I376-I380 PolarHBondContact O-N 3.36Å; G377-I380 PolarHBondContact O-N 3.19Å; S378-I380 PolarHBondContact O-N 3.21Å; I380-N384 PolarHBondContact O-N 2.94Å; I380-N384 PolarHBondContact O-ND2 2.64Å
381	A	88.6	Confident	88.2	Confident	60 Å²	60	69.2 Å²	69.2	50%	0.496	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-50.5	173.9	0	0	0	0	0	111.1	G377 S378 M383 N384 A385	G377-A381 WeakPolarHBondContact O-CB 3.32Å; G377-A381 PolarHBondContact O-N 2.97Å; S378-A381 PolarHBondContact O-N 2.65Å; A381-M383 VanDerWaalsContact C-N 3.33Å; A381-M383 PolarHBondContact O-N 2.64Å; A381-N384 CarbonylContact O-C 3.58Å; A381-N384 PolarHBondContact O-N 2.94Å; A381-A385 PolarHBondContact O-N 3.42Å; A381-A385 VanDerWaalsContact O-N 3.07Å
382	N	86.6	Confident	88.3	Confident	95 Å²	95	68.1 Å²	68.1	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-38.7	178.4	-70.8	-28.3	0	0	0	112.5	S378 N384 A385	S378-N382 WeakPolarHBondContact O-CB 3.32Å; S378-N382 VanDerWaalsContact O-CG 3.24Å; S378-N382 PolarHBondContact O-N 3.17Å; S378-N382 PolarHBondContact O-ND2 3.05Å; S378-N382 PolarHBondContact OG-ND2 3.46Å; N382-N384 PolarHBondContact O-N 3.12Å; N382-A385 WeakPolarHBondContact O-CB 3.49Å; N382-A385 PolarHBondContact O-N 2.82Å
383	M	84.4	Confident	88.4	Confident	106 Å²	106	73.4 Å²	73.4	52%	0.522	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-28.7	175.5	-175.8	176	70.2	0	0	113.1	M379 A381	M379-M383 VanDerWaalsContact O-CB 3.29Å; M379-M383 WeakPolarHBondContact O-CB 3.25Å; M379-M383 PolarHBondContact O-N 2.94Å; A381-M383 VanDerWaalsContact C-N 3.33Å; A381-M383 PolarHBondContact O-N 2.64Å
384	N	87	Confident	88.6	Confident	70 Å²	70	70.3 Å²	70.3	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-97.3	-0.8	178.8	-72.5	-73.2	0	0	0	113.7	I380 A381 N382 T386 R387 A388	I380-N384 PolarHBondContact O-N 2.94Å; I380-N384 PolarHBondContact O-ND2 2.64Å; A381-N384 CarbonylContact O-C 3.58Å; A381-N384 PolarHBondContact O-N 2.94Å; N382-N384 PolarHBondContact O-N 3.12Å; N384-T386 PolarHBondContact O-N 2.9Å; N384-R387 PolarHBondContact O-N 3.19Å; N384-A388 PolarHBondContact O-N 3.11Å
385	A	88.6	Confident	88.8	Confident	47 Å²	47	71.3 Å²	71.3	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-54.5	-51	-168.7	0	0	0	0	0	113.5	A381 N382 R387 A388 E389	A381-A385 PolarHBondContact O-N 3.42Å; A381-A385 VanDerWaalsContact O-N 3.07Å; N382-A385 WeakPolarHBondContact O-CB 3.49Å; N382-A385 PolarHBondContact O-N 2.82Å; A385-R387 PolarHBondContact O-N 3.22Å; A385-A388 PolarHBondContact O-N 3.24Å; A385-A388 VanDerWaalsContact O-N 3.11Å; A385-E389 WeakPolarHBondContact O-CB 3.02Å; A385-E389 PolarHBondContact O-N 3.08Å
386	T	85.5	Confident	89.1	Confident	91 Å²	91	70.6 Å²	70.6	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-59.2	-34.6	179.5	-45.3	0	0	0	0	112.8	N384 F390	N384-T386 PolarHBondContact O-N 2.9Å; T386-F390 WeakPolarHBondContact O-CB 3.36Å; T386-F390 PolarHBondContact O-N 2.96Å; T386-F390 VanDerWaalsContact O-N 3.08Å
387	R	85.9	Confident	89.4	Confident	156 Å²	156	70.9 Å²	70.9	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-74.7	-40.6	176.5	-175	178.6	179.5	-175.4	0.6	111.6	N384 A385 E389 Q391 W422	N384-R387 PolarHBondContact O-N 3.19Å; A385-R387 PolarHBondContact O-N 3.22Å; R387-E389 VanDerWaalsContact C-N 3.35Å; R387-Q391 VanDerWaalsContact O-CB 3.24Å; R387-Q391 WeakPolarHBondContact O-CB 3.37Å; R387-Q391 PolarHBondContact O-N 2.8Å; R387-W422 HydrophobicContact CB-CH2 3.81Å; R387-W422 HydrophobicContact CB-CZ2 3.95Å; R387-W422 HydrophobicContact CG-CH2 4.07Å; R387-W422 HydrophobicContact CG-CZ2 3.79Å
388	A	90.1	Very high	89.5	Confident	61 Å²	61	72.2 Å²	72.2	50%	0.504	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-41.5	175.5	0	0	0	0	0	111.5	N384 A385 Q391 A392	N384-A388 PolarHBondContact O-N 3.11Å; A385-A388 PolarHBondContact O-N 3.24Å; A385-A388 VanDerWaalsContact O-N 3.11Å; A388-Q391 PolarHBondContact O-N 3.06Å; A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.48Å
389	E	89.1	Confident	89.8	Confident	98 Å²	98	75.5 Å²	75.5	46%	0.458	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-49.1	176.7	-162	-150	149.2	0	0	111.7	A385 R387 Q391 A392 R393	A385-E389 WeakPolarHBondContact O-CB 3.02Å; A385-E389 PolarHBondContact O-N 3.08Å; R387-E389 VanDerWaalsContact C-N 3.35Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 2.77Å; E389-A392 PolarHBondContact O-N 3.06Å; E389-R393 WeakPolarHBondContact O-CG 3.34Å; E389-R393 PolarHBondContact O-N 3.31Å; E389-R393 IonicContact OE1-CZ 3.42Å; E389-R393 IonicContact OE1-NE 3.64Å; E389-R393 PolarHBondContact OE1-NE 3.13Å; E389-R393 IonicContact OE1-NH2 3.97Å; E389-R393 PolarHBondContact OE1-NH2 3.45Å
390	F	88.8	Confident	90.2	Very high	21 Å²	21	80.6 Å²	80.6	9%	0.092	43%	0.426	C	S	.	.	H	α-helix	trans	-60.8	-40.2	176.5	-179.3	-101.5	0	0	0	112.3	T386 R393 I394 F418 W422 A427	T386-F390 WeakPolarHBondContact O-CB 3.36Å; T386-F390 PolarHBondContact O-N 2.96Å; T386-F390 VanDerWaalsContact O-N 3.08Å; F390-R393 PolarHBondContact O-N 2.7Å; F390-I394 HydrophobicContact CD1-CD1 3.88Å; F390-I394 HydrophobicContact CE1-CD1 3.29Å; F390-I394 HydrophobicContact CE1-CG1 4.21Å; F390-I394 HydrophobicContact CZ-CD1 3.7Å; F390-I394 HydrophobicContact CZ-CG1 4.3Å; F390-I394 PolarHBondContact O-N 2.99Å; F390-F418 HydrophobicContact CE2-CD1 4.03Å; F390-F418 HydrophobicContact CZ-CB 4.31Å; F390-F418 AromaticContact CZ-CD1 3.99Å; F390-F418 HydrophobicContact CZ-CD1 3.99Å; F390-W422 HydrophobicContact CB-CE3 3.97Å; F390-W422 HydrophobicContact CB-CH2 4.5Å; F390-W422 HydrophobicContact CB-CZ3 3.64Å; F390-W422 HydrophobicContact CD1-CB 4.41Å; F390-W422 AromaticContact CD1-CD2 3.72Å; F390-W422 HydrophobicContact CD1-CD2 3.72Å; F390-W422 AromaticContact CD1-CE3 3.21Å; F390-W422 HydrophobicContact CD1-CE3 3.21Å; F390-W422 HydrophobicContact CD1-CG 4.23Å; F390-W422 AromaticContact CD1-CZ3 3.78Å; F390-W422 HydrophobicContact CD1-CZ3 3.78Å; F390-W422 AromaticContact CD2-CE3 4Å; F390-W422 HydrophobicContact CD2-CE3 4Å; F390-W422 HydrophobicContact CD2-CZ3 4.38Å; F390-W422 HydrophobicContact CE1-CB 3.55Å; F390-W422 AromaticContact CE1-CD2 3.79Å; F390-W422 HydrophobicContact CE1-CD2 3.79Å; F390-W422 AromaticContact CE1-CE3 3.56Å; F390-W422 HydrophobicContact CE1-CE3 3.56Å; F390-W422 AromaticContact CE1-CG 3.8Å; F390-W422 HydrophobicContact CE1-CG 3.8Å; F390-W422 HydrophobicContact CE2-CE3 4.3Å; F390-W422 HydrophobicContact CG-CD2 4.39Å; F390-W422 AromaticContact CG-CE3 3.44Å; F390-W422 HydrophobicContact CG-CE3 3.44Å; F390-W422 VanDerWaalsContact CG-CE3 3.44Å; F390-W422 AromaticContact CG-CZ3 3.68Å; F390-W422 HydrophobicContact CG-CZ3 3.68Å; F390-W422 HydrophobicContact CZ-CB 3.78Å; F390-W422 HydrophobicContact CZ-CE3 4.1Å; F390-W422 HydrophobicContact CZ-CG 4.44Å; F390-A427 HydrophobicContact CD2-CB 3.91Å; F390-A427 HydrophobicContact CE2-CB 3.58Å; F390-A427 HydrophobicContact CZ-CB 4.2Å
391	Q	90.3	Very high	90.6	Very high	79 Å²	79	77.2 Å²	77.2	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-43.5	174.2	-172.5	59.2	56	0	0	111.7	R387 A388 E389 R393 I394 D395	R387-Q391 VanDerWaalsContact O-CB 3.24Å; R387-Q391 WeakPolarHBondContact O-CB 3.37Å; R387-Q391 PolarHBondContact O-N 2.8Å; A388-Q391 PolarHBondContact O-N 3.06Å; E389-Q391 VanDerWaalsContact C-N 3.31Å; E389-Q391 PolarHBondContact O-N 2.77Å; Q391-R393 PolarHBondContact O-N 2.76Å; Q391-I394 WeakPolarHBondContact O-CB 3.15Å; Q391-I394 PolarHBondContact O-N 3.41Å; Q391-D395 VanDerWaalsContact NE2-CG 3.26Å; Q391-D395 PolarHBondContact NE2-OD1 3.04Å; Q391-D395 VanDerWaalsContact NE2-OD1 3.1Å; Q391-D395 PolarHBondContact NE2-OD2 3.4Å; Q391-D395 PolarHBondContact O-N 3.4Å
392	A	92.9	Very high	90.9	Very high	61 Å²	61	80.7 Å²	80.7	50%	0.504	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-39.9	176	0	0	0	0	0	112.5	A388 E389 D395 A396	A388-A392 WeakPolarHBondContact O-CB 3.33Å; A388-A392 PolarHBondContact O-N 3.48Å; E389-A392 PolarHBondContact O-N 3.06Å; A392-D395 PolarHBondContact O-N 2.96Å; A392-A396 WeakPolarHBondContact O-CB 3.23Å; A392-A396 PolarHBondContact O-N 3.37Å
393	R	90.4	Very high	91.4	Very high	132 Å²	132	82.8 Å²	82.8	50%	0.498	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-46.2	172.3	-67.2	174.2	-177	-152.8	3.4	111.1	E389 F390 Q391 I397	E389-R393 WeakPolarHBondContact O-CG 3.34Å; E389-R393 PolarHBondContact O-N 3.31Å; E389-R393 IonicContact OE1-CZ 3.42Å; E389-R393 IonicContact OE1-NE 3.64Å; E389-R393 PolarHBondContact OE1-NE 3.13Å; E389-R393 IonicContact OE1-NH2 3.97Å; E389-R393 PolarHBondContact OE1-NH2 3.45Å; F390-R393 PolarHBondContact O-N 2.7Å; Q391-R393 PolarHBondContact O-N 2.76Å; R393-I397 WeakPolarHBondContact O-CG1 3.34Å; R393-I397 PolarHBondContact O-N 3.26Å
394	I	91	Very high	92	Very high	12 Å²	12	85 Å²	85	6%	0.062	42%	0.422	C	S	.	.	H	α-helix	trans	-61	-47.4	175.8	-76	176.5	0	0	0	111.6	F390 Q391 A396 I397 K398 F418	F390-I394 HydrophobicContact CD1-CD1 3.88Å; F390-I394 HydrophobicContact CE1-CD1 3.29Å; F390-I394 HydrophobicContact CE1-CG1 4.21Å; F390-I394 HydrophobicContact CZ-CD1 3.7Å; F390-I394 HydrophobicContact CZ-CG1 4.3Å; F390-I394 PolarHBondContact O-N 2.99Å; Q391-I394 WeakPolarHBondContact O-CB 3.15Å; Q391-I394 PolarHBondContact O-N 3.41Å; I394-A396 PolarHBondContact O-N 3.49Å; I394-I397 WeakPolarHBondContact O-CB 3.17Å; I394-I397 PolarHBondContact O-N 3.37Å; I394-I397 VanDerWaalsContact O-N 3.07Å; I394-K398 HydrophobicContact CG2-CD 4.17Å; I394-K398 HydrophobicContact CG2-CG 4.33Å; I394-K398 PolarHBondContact O-N 2.96Å; I394-F418 HydrophobicContact CD1-CB 3.86Å; I394-F418 HydrophobicContact CD1-CG 4.27Å; I394-F418 HydrophobicContact CG1-CB 4.08Å; I394-F418 HydrophobicContact CG1-CD1 4.06Å; I394-F418 HydrophobicContact CG1-CD2 4.43Å; I394-F418 HydrophobicContact CG1-CG 3.94Å
395	D	93.8	Very high	92.4	Very high	66 Å²	66	90.8 Å²	90.8	35%	0.353	44%	0.443	S	S	.	.	H	α-helix	trans	-72.9	-30.2	-172.3	-67	-30.2	0	0	0	112.3	Q391 A392 I397 K398 H399	Q391-D395 VanDerWaalsContact NE2-CG 3.26Å; Q391-D395 PolarHBondContact NE2-OD1 3.04Å; Q391-D395 VanDerWaalsContact NE2-OD1 3.1Å; Q391-D395 PolarHBondContact NE2-OD2 3.4Å; Q391-D395 PolarHBondContact O-N 3.4Å; A392-D395 PolarHBondContact O-N 2.96Å; D395-I397 VanDerWaalsContact C-N 3.32Å; D395-I397 PolarHBondContact O-N 3.28Å; D395-K398 PolarHBondContact O-N 3.06Å; D395-K398 WeakPolarHBondContact OD1-CD 3.39Å; D395-K398 WeakPolarHBondContact OD1-CE 3.43Å; D395-K398 IonicContact OD1-NZ 2.72Å; D395-K398 PolarHBondContact OD1-NZ 3.3Å; D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 2.7Å
396	A	95.6	Very high	92.8	Very high	62 Å²	62	90.6 Å²	90.6	51%	0.512	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-40.3	166	0	0	0	0	0	112.3	A392 I394 H399 Y400	A392-A396 WeakPolarHBondContact O-CB 3.23Å; A392-A396 PolarHBondContact O-N 3.37Å; I394-A396 PolarHBondContact O-N 3.49Å; A396-H399 PolarHBondContact O-N 3.17Å; A396-Y400 PolarHBondContact O-N 2.91Å
397	I	94.3	Very high	93.3	Very high	61 Å²	61	89.4 Å²	89.4	31%	0.313	43%	0.433	S	S	.	.	H	α-helix	trans	-72.2	-40.3	178.4	-66	168.8	0	0	0	111.2	R393 I394 D395 H399 Y400 M401 V414 F418	R393-I397 WeakPolarHBondContact O-CG1 3.34Å; R393-I397 PolarHBondContact O-N 3.26Å; I394-I397 WeakPolarHBondContact O-CB 3.17Å; I394-I397 PolarHBondContact O-N 3.37Å; I394-I397 VanDerWaalsContact O-N 3.07Å; D395-I397 VanDerWaalsContact C-N 3.32Å; D395-I397 PolarHBondContact O-N 3.28Å; I397-H399 VanDerWaalsContact C-N 3.34Å; I397-H399 PolarHBondContact O-N 3.35Å; I397-Y400 PolarHBondContact O-N 3.34Å; I397-M401 HydrophobicContact CG2-CE 4.19Å; I397-M401 WeakPolarHBondContact O-CG 3.07Å; I397-M401 PolarHBondContact O-N 3.07Å; I397-V414 HydrophobicContact CG2-CG1 4.12Å; I397-F418 HydrophobicContact CD1-CE1 4.37Å; I397-F418 HydrophobicContact CD1-CE2 3.7Å; I397-F418 HydrophobicContact CD1-CZ 3.37Å; I397-F418 HydrophobicContact CG2-CE2 4.38Å
398	K	93.3	Very high	93.6	Very high	66 Å²	66	90.1 Å²	90.1	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-57.7	-46.3	170.4	-68.9	175.9	-170	151.4	0	111.3	I394 D395 Y400 M401 H402	I394-K398 HydrophobicContact CG2-CD 4.17Å; I394-K398 HydrophobicContact CG2-CG 4.33Å; I394-K398 PolarHBondContact O-N 2.96Å; D395-K398 PolarHBondContact O-N 3.06Å; D395-K398 WeakPolarHBondContact OD1-CD 3.39Å; D395-K398 WeakPolarHBondContact OD1-CE 3.43Å; D395-K398 IonicContact OD1-NZ 2.72Å; D395-K398 PolarHBondContact OD1-NZ 3.3Å; K398-Y400 VanDerWaalsContact C-N 3.35Å; K398-Y400 PolarHBondContact O-N 2.87Å; K398-M401 HydrophobicContact CG-CE 4.5Å; K398-M401 PolarHBondContact O-N 3.08Å; K398-H402 WeakPolarHBondContact O-CB 3.5Å; K398-H402 PolarHBondContact O-N 2.9Å
399	H	95.3	Very high	93.7	Very high	132 Å²	132	95 Å²	95	61%	0.611	45%	0.448	S	S	*	.	H	α-helix	trans	-61	-42.6	177.4	-176.2	-104.2	0	0	0	111.9	D395 A396 I397 H402 F403	D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 2.7Å; A396-H399 PolarHBondContact O-N 3.17Å; I397-H399 VanDerWaalsContact C-N 3.34Å; I397-H399 PolarHBondContact O-N 3.35Å; H399-H402 PolarHBondContact O-N 3.28Å; H399-F403 VanDerWaalsContact O-CB 3.32Å; H399-F403 WeakPolarHBondContact O-CB 3.3Å; H399-F403 PolarHBondContact O-N 3.05Å
400	Y	95.8	Very high	93.9	Very high	134 Å²	134	94 Å²	94	53%	0.525	45%	0.445	S	S	.	.	H	α-helix	trans	-60.8	-47.3	173.6	178.5	-95.9	0	0	0	112.6	A396 I397 K398 H402 F403 R404	A396-Y400 PolarHBondContact O-N 2.91Å; I397-Y400 PolarHBondContact O-N 3.34Å; K398-Y400 VanDerWaalsContact C-N 3.35Å; K398-Y400 PolarHBondContact O-N 2.87Å; Y400-H402 PolarHBondContact O-N 2.82Å; Y400-F403 PolarHBondContact O-N 3.1Å; Y400-R404 HydrophobicContact CD1-CG 4.4Å; Y400-R404 HydrophobicContact CD2-CG 4.29Å; Y400-R404 HydrophobicContact CE1-CG 3.97Å; Y400-R404 HydrophobicContact CE2-CG 3.85Å; Y400-R404 WeakPolarHBondContact O-CB 3.49Å; Y400-R404 WeakPolarHBondContact O-CG 3.35Å; Y400-R404 PolarHBondContact O-N 2.69Å
401	M	95.9	Very high	94.1	Very high	11 Å²	11	94.4 Å²	94.4	5%	0.054	45%	0.448	C	S	.	.	H	α-helix	trans	-61.7	-42.1	178.4	-72	-170.2	-62.7	0	0	112	I397 K398 R404 K405 V406 E411 V414	I397-M401 HydrophobicContact CG2-CE 4.19Å; I397-M401 WeakPolarHBondContact O-CG 3.07Å; I397-M401 PolarHBondContact O-N 3.07Å; K398-M401 HydrophobicContact CG-CE 4.5Å; K398-M401 PolarHBondContact O-N 3.08Å; M401-R404 CarbonylContact O-C 3.46Å; M401-R404 PolarHBondContact O-N 3.01Å; M401-K405 PolarHBondContact O-N 3.3Å; M401-V406 HydrophobicContact CB-CB 4.05Å; M401-V406 HydrophobicContact CB-CG2 4.1Å; M401-V406 HydrophobicContact CG-CB 4.38Å; M401-V406 HydrophobicContact CG-CG2 4.2Å; M401-V406 PolarHBondContact O-N 3.44Å; M401-E411 HydrophobicContact CE-CB 4.27Å; M401-E411 HydrophobicContact CE-CG 3.86Å; M401-E411 HydrophobicContact SD-CB 4.24Å; M401-E411 HydrophobicContact SD-CG 4.46Å; M401-V414 HydrophobicContact CE-CB 4.28Å; M401-V414 HydrophobicContact CE-CG1 4.01Å; M401-V414 HydrophobicContact SD-CB 3.97Å; M401-V414 HydrophobicContact SD-CG1 4Å; M401-V414 HydrophobicContact SD-CG2 4.1Å
402	H	94.7	Very high	94.2	Very high	133 Å²	133	93.9 Å²	93.9	62%	0.616	45%	0.45	S	S	*	.	H	α-helix	trans	-64.2	-48.3	175.5	-176	-102.2	0	0	0	111.9	K398 H399 Y400 R404 K405	K398-H402 WeakPolarHBondContact O-CB 3.5Å; K398-H402 PolarHBondContact O-N 2.9Å; H399-H402 PolarHBondContact O-N 3.28Å; Y400-H402 PolarHBondContact O-N 2.82Å; H402-R404 VanDerWaalsContact C-N 3.29Å; H402-R404 PolarHBondContact O-N 2.92Å; H402-K405 PolarHBondContact O-N 2.96Å
403	F	96.6	Very high	94.2	Very high	139 Å²	139	97 Å²	97	61%	0.61	45%	0.449	S	S	*	.	H	α-helix	trans	-59.4	-38.4	176.9	177.9	-102	0	0	0	112.6	H399 Y400 K405	H399-F403 VanDerWaalsContact O-CB 3.32Å; H399-F403 WeakPolarHBondContact O-CB 3.3Å; H399-F403 PolarHBondContact O-N 3.05Å; Y400-F403 PolarHBondContact O-N 3.1Å; F403-K405 VanDerWaalsContact C-N 3.32Å
404	R	97.1	Very high	94.3	Very high	152 Å²	152	92.5 Å²	92.5	57%	0.574	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.2	176.3	-65.5	-57.2	-169	-173.3	0.5	114.6	Y400 M401 H402 V406	Y400-R404 HydrophobicContact CD1-CG 4.4Å; Y400-R404 HydrophobicContact CD2-CG 4.29Å; Y400-R404 HydrophobicContact CE1-CG 3.97Å; Y400-R404 HydrophobicContact CE2-CG 3.85Å; Y400-R404 WeakPolarHBondContact O-CB 3.49Å; Y400-R404 WeakPolarHBondContact O-CG 3.35Å; Y400-R404 PolarHBondContact O-N 2.69Å; M401-R404 CarbonylContact O-C 3.46Å; M401-R404 PolarHBondContact O-N 3.01Å; H402-R404 VanDerWaalsContact C-N 3.29Å; H402-R404 PolarHBondContact O-N 2.92Å; R404-V406 VanDerWaalsContact C-N 3.31Å; R404-V406 HydrophobicContact CB-CG2 4.17Å; R404-V406 PolarHBondContact O-N 3.24Å
405	K	95.6	Very high	94.3	Very high	192 Å²	192	94.3 Å²	94.3	84%	0.835	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	44.3	-178.6	-57	-178.2	-179.9	-179.5	0	113.1	M401 H402 F403	M401-K405 PolarHBondContact O-N 3.3Å; H402-K405 PolarHBondContact O-N 2.96Å; F403-K405 VanDerWaalsContact C-N 3.32Å
406	V	96.2	Very high	94.2	Very high	44 Å²	44	97 Å²	97	27%	0.267	45%	0.453	S	S	.	.			trans	-62.1	149.7	174.8	175.3	0	0	0	0	110.5	M401 R404 L410	M401-V406 HydrophobicContact CB-CB 4.05Å; M401-V406 HydrophobicContact CB-CG2 4.1Å; M401-V406 HydrophobicContact CG-CB 4.38Å; M401-V406 HydrophobicContact CG-CG2 4.2Å; M401-V406 PolarHBondContact O-N 3.44Å; R404-V406 VanDerWaalsContact C-N 3.31Å; R404-V406 HydrophobicContact CB-CG2 4.17Å; R404-V406 PolarHBondContact O-N 3.24Å; V406-L410 HydrophobicContact CG1-CB 3.85Å; V406-L410 HydrophobicContact CG1-CD2 3.9Å; V406-L410 HydrophobicContact CG1-CG 4Å
407	S	96.6	Very high	94	Very high	65 Å²	65	97.9 Å²	97.9	46%	0.455	44%	0.443	S	S	.	.			trans	-65.6	143.6	178.1	65.9	0	0	0	0	111.7	E409 L410 E411	S407-E409 PolarHBondContact O-N 2.9Å; S407-E409 VanDerWaalsContact O-N 3.15Å; S407-L410 PolarHBondContact O-N 3.02Å; S407-L410 PolarHBondContact OG-N 3.44Å; S407-E411 PolarHBondContact O-N 3.47Å
408	R	92.1	Very high	93.8	Very high	172 Å²	172	96.5 Å²	96.5	65%	0.649	44%	0.435	S	S	*	.	H	α-helix	trans	-57.9	-29.1	178.7	-67	-54.6	-160.2	170.6	3.4	112.9	E411 T412	R408-E411 WeakPolarHBondContact CD-OE2 3.39Å; R408-E411 IonicContact CZ-OE2 2.78Å; R408-E411 IonicContact NE-OE2 3.43Å; R408-E411 VanDerWaalsContact NH1-CD 3.26Å; R408-E411 IonicContact NH1-OE1 3.85Å; R408-E411 PolarHBondContact NH1-OE1 2.95Å; R408-E411 IonicContact NH1-OE2 2.9Å; R408-E411 PolarHBondContact NH1-OE2 3.47Å; R408-T412 VanDerWaalsContact O-CB 3.27Å; R408-T412 WeakPolarHBondContact O-CB 3.32Å; R408-T412 PolarHBondContact O-N 3.27Å; R408-T412 PolarHBondContact O-OG1 3.39Å
409	E	93.2	Very high	93.6	Very high	163 Å²	163	97.2 Å²	97.2	76%	0.762	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-48.1	174.4	-64.2	172.1	-179.8	0	0	111.9	S407 T412 R413	S407-E409 PolarHBondContact O-N 2.9Å; S407-E409 VanDerWaalsContact O-N 3.15Å; E409-T412 PolarHBondContact O-N 3.5Å; E409-R413 WeakPolarHBondContact O-CB 3.48Å; E409-R413 PolarHBondContact O-N 3.11Å
410	L	92.4	Very high	93.4	Very high	78 Å²	78	92.9 Å²	92.9	41%	0.408	42%	0.421	S	S	.	.	H	α-helix	trans	-71.7	-39	179.4	-176.8	56.9	0	0	0	111.3	V406 S407 T412 R413 V414	V406-L410 HydrophobicContact CG1-CB 3.85Å; V406-L410 HydrophobicContact CG1-CD2 3.9Å; V406-L410 HydrophobicContact CG1-CG 4Å; S407-L410 PolarHBondContact O-N 3.02Å; S407-L410 PolarHBondContact OG-N 3.44Å; L410-T412 PolarHBondContact O-N 3.45Å; L410-R413 PolarHBondContact O-N 3.5Å; L410-V414 HydrophobicContact CD1-CG2 4.35Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; L410-V414 PolarHBondContact O-N 3.27Å
411	E	92.8	Very high	93	Very high	29 Å²	29	87.2 Å²	87.2	14%	0.136	40%	0.4	C	S	.	.	H	α-helix	trans	-56.3	-48.8	170.9	176.5	-178.4	-160.8	0	0	111.7	M401 S407 R408 R413 V414 I415	M401-E411 HydrophobicContact CE-CB 4.27Å; M401-E411 HydrophobicContact CE-CG 3.86Å; M401-E411 HydrophobicContact SD-CB 4.24Å; M401-E411 HydrophobicContact SD-CG 4.46Å; S407-E411 PolarHBondContact O-N 3.47Å; R408-E411 WeakPolarHBondContact CD-OE2 3.39Å; R408-E411 IonicContact CZ-OE2 2.78Å; R408-E411 IonicContact NE-OE2 3.43Å; R408-E411 VanDerWaalsContact NH1-CD 3.26Å; R408-E411 IonicContact NH1-OE1 3.85Å; R408-E411 PolarHBondContact NH1-OE1 2.95Å; R408-E411 IonicContact NH1-OE2 2.9Å; R408-E411 PolarHBondContact NH1-OE2 3.47Å; E411-R413 VanDerWaalsContact C-N 3.31Å; E411-R413 PolarHBondContact O-N 2.86Å; E411-V414 PolarHBondContact O-N 3.34Å; E411-I415 HydrophobicContact CG-CD1 3.98Å; E411-I415 WeakPolarHBondContact O-CG1 3.24Å; E411-I415 PolarHBondContact O-N 2.78Å
412	T	92.6	Very high	92.6	Very high	68 Å²	68	91.4 Å²	91.4	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-38.2	177.6	-58.9	0	0	0	0	111.8	R408 E409 L410 K416	R408-T412 VanDerWaalsContact O-CB 3.27Å; R408-T412 WeakPolarHBondContact O-CB 3.32Å; R408-T412 PolarHBondContact O-N 3.27Å; R408-T412 PolarHBondContact O-OG1 3.39Å; E409-T412 PolarHBondContact O-N 3.5Å; L410-T412 PolarHBondContact O-N 3.45Å; T412-K416 HydrophobicContact CG2-CD 4.28Å; T412-K416 WeakPolarHBondContact O-CB 3.27Å; T412-K416 WeakPolarHBondContact O-CG 3.47Å; T412-K416 PolarHBondContact O-N 3.41Å; T412-K416 VanDerWaalsContact O-N 3.08Å
413	R	92.2	Very high	92.2	Very high	127 Å²	127	90.3 Å²	90.3	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-42.6	176.2	176.8	176.3	160.1	-154.8	-11.1	112.2	E409 L410 E411 K416 W417 D484	E409-R413 WeakPolarHBondContact O-CB 3.48Å; E409-R413 PolarHBondContact O-N 3.11Å; L410-R413 PolarHBondContact O-N 3.5Å; E411-R413 VanDerWaalsContact C-N 3.31Å; E411-R413 PolarHBondContact O-N 2.86Å; R413-K416 PolarHBondContact O-N 2.87Å; R413-W417 PolarHBondContact O-N 2.97Å; R413-W417 VanDerWaalsContact O-N 3.1Å; R413-D484 IonicContact CZ-OD1 3.54Å; R413-D484 IonicContact NE-OD1 3.97Å; R413-D484 VanDerWaalsContact NH2-CG 3.34Å; R413-D484 IonicContact NH2-OD1 2.83Å; R413-D484 PolarHBondContact NH2-OD1 2.94Å; R413-D484 IonicContact NH2-OD2 3.17Å; R413-D484 PolarHBondContact NH2-OD2 2.89Å
414	V	92.5	Very high	91.7	Very high	37 Å²	37	87.2 Å²	87.2	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.8	168.7	0	0	0	0	110.8	I397 M401 L410 E411 W417 F418	I397-V414 HydrophobicContact CG2-CG1 4.12Å; M401-V414 HydrophobicContact CE-CB 4.28Å; M401-V414 HydrophobicContact CE-CG1 4.01Å; M401-V414 HydrophobicContact SD-CB 3.97Å; M401-V414 HydrophobicContact SD-CG1 4Å; M401-V414 HydrophobicContact SD-CG2 4.1Å; L410-V414 HydrophobicContact CD1-CG2 4.35Å; L410-V414 WeakPolarHBondContact O-CG2 3.48Å; L410-V414 PolarHBondContact O-N 3.27Å; E411-V414 PolarHBondContact O-N 3.34Å; V414-W417 PolarHBondContact O-N 2.9Å; V414-F418 HydrophobicContact CG1-CD2 3.92Å; V414-F418 HydrophobicContact CG1-CE2 3.83Å; V414-F418 WeakPolarHBondContact O-CD2 3.39Å; V414-F418 PolarHBondContact O-N 3.25Å; V414-F418 VanDerWaalsContact O-N 3.14Å
415	I	92.1	Very high	90.9	Very high	49 Å²	49	88.1 Å²	88.1	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-48.4	177.4	-67.2	167	0	0	0	110.6	E411 W417 F418 D419	E411-I415 HydrophobicContact CG-CD1 3.98Å; E411-I415 WeakPolarHBondContact O-CG1 3.24Å; E411-I415 PolarHBondContact O-N 2.78Å; I415-W417 VanDerWaalsContact C-N 3.27Å; I415-W417 PolarHBondContact O-N 3.2Å; I415-F418 PolarHBondContact O-N 3.37Å; I415-F418 VanDerWaalsContact O-N 3.07Å; I415-D419 VanDerWaalsContact O-CG 3.29Å; I415-D419 PolarHBondContact O-N 2.94Å
416	K	91.9	Very high	90	Very high	122 Å²	122	81.5 Å²	81.5	53%	0.53	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-33.1	177.7	-76.2	176.9	177.9	-177.9	0	114.2	T412 R413 Y420 Y550	T412-K416 HydrophobicContact CG2-CD 4.28Å; T412-K416 WeakPolarHBondContact O-CB 3.27Å; T412-K416 WeakPolarHBondContact O-CG 3.47Å; T412-K416 PolarHBondContact O-N 3.41Å; T412-K416 VanDerWaalsContact O-N 3.08Å; R413-K416 PolarHBondContact O-N 2.87Å; K416-Y420 WeakPolarHBondContact O-CB 3.3Å; K416-Y420 PolarHBondContact O-N 3.13Å; K416-Y550 PolarHBondContact O-OH 3.5Å
417	W	90.8	Very high	88.7	Confident	82 Å²	82	80.4 Å²	80.4	31%	0.311	39%	0.385	S	S	.	.	H	α-helix	trans	-69.1	-42.7	174.7	178.8	86.8	0	0	0	111.3	R413 V414 I415 Y420 L421 V479	R413-W417 PolarHBondContact O-N 2.97Å; R413-W417 VanDerWaalsContact O-N 3.1Å; V414-W417 PolarHBondContact O-N 2.9Å; I415-W417 VanDerWaalsContact C-N 3.27Å; I415-W417 PolarHBondContact O-N 3.2Å; W417-Y420 WeakPolarHBondContact O-CB 3.31Å; W417-Y420 PolarHBondContact O-N 3.1Å; W417-L421 HydrophobicContact CD2-CD1 4.06Å; W417-L421 HydrophobicContact CD2-CG 4.45Å; W417-L421 HydrophobicContact CE3-CD1 3.87Å; W417-L421 HydrophobicContact CH2-CD1 3.57Å; W417-L421 HydrophobicContact CZ2-CD1 3.74Å; W417-L421 HydrophobicContact CZ3-CD1 3.63Å; W417-L421 WeakPolarHBondContact O-CG 3.21Å; W417-L421 PolarHBondContact O-N 3.16Å; W417-V479 PolarHBondContact NE1-O 3.03Å
418	F	90.4	Very high	87.6	Confident	31 Å²	31	81.6 Å²	81.6	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-63.9	-41.5	172.5	-82.4	-68.7	0	0	0	113	F390 I394 I397 V414 I415 Y420 L421 W422	F390-F418 HydrophobicContact CE2-CD1 4.03Å; F390-F418 HydrophobicContact CZ-CB 4.31Å; F390-F418 AromaticContact CZ-CD1 3.99Å; F390-F418 HydrophobicContact CZ-CD1 3.99Å; I394-F418 HydrophobicContact CD1-CB 3.86Å; I394-F418 HydrophobicContact CD1-CG 4.27Å; I394-F418 HydrophobicContact CG1-CB 4.08Å; I394-F418 HydrophobicContact CG1-CD1 4.06Å; I394-F418 HydrophobicContact CG1-CD2 4.43Å; I394-F418 HydrophobicContact CG1-CG 3.94Å; I397-F418 HydrophobicContact CD1-CE1 4.37Å; I397-F418 HydrophobicContact CD1-CE2 3.7Å; I397-F418 HydrophobicContact CD1-CZ 3.37Å; I397-F418 HydrophobicContact CG2-CE2 4.38Å; V414-F418 HydrophobicContact CG1-CD2 3.92Å; V414-F418 HydrophobicContact CG1-CE2 3.83Å; V414-F418 WeakPolarHBondContact O-CD2 3.39Å; V414-F418 PolarHBondContact O-N 3.25Å; V414-F418 VanDerWaalsContact O-N 3.14Å; I415-F418 PolarHBondContact O-N 3.37Å; I415-F418 VanDerWaalsContact O-N 3.07Å; F418-Y420 VanDerWaalsContact C-N 3.28Å; F418-Y420 PolarHBondContact O-N 3.38Å; F418-L421 PolarHBondContact O-N 3.45Å; F418-W422 PolarHBondContact O-N 3.32Å
419	D	89.6	Confident	86.7	Confident	82 Å²	82	77.6 Å²	77.6	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-40.1	174.9	-63.8	-31.8	0	0	0	111.2	I415 T423	I415-D419 VanDerWaalsContact O-CG 3.29Å; I415-D419 PolarHBondContact O-N 2.94Å; D419-T423 VanDerWaalsContact O-CB 3.3Å; D419-T423 WeakPolarHBondContact O-CB 3.49Å; D419-T423 PolarHBondContact O-N 3.05Å; D419-T423 PolarHBondContact O-OG1 3.25Å
420	Y	89.7	Confident	85.9	Confident	41 Å²	41	73.3 Å²	73.3	16%	0.161	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-48	173.8	176.2	-91	0	0	0	111.9	K416 W417 F418 W422 T423 N424 K426 V479 Y550	K416-Y420 WeakPolarHBondContact O-CB 3.3Å; K416-Y420 PolarHBondContact O-N 3.13Å; W417-Y420 WeakPolarHBondContact O-CB 3.31Å; W417-Y420 PolarHBondContact O-N 3.1Å; F418-Y420 VanDerWaalsContact C-N 3.28Å; F418-Y420 PolarHBondContact O-N 3.38Å; Y420-W422 VanDerWaalsContact C-N 3.33Å; Y420-W422 PolarHBondContact O-N 2.9Å; Y420-T423 PolarHBondContact O-N 3.36Å; Y420-N424 WeakPolarHBondContact CD2-ND2 3.48Å; Y420-N424 WeakPolarHBondContact CE2-ND2 3.4Å; Y420-N424 PolarHBondContact O-N 3.06Å; Y420-N424 VanDerWaalsContact O-N 3.13Å; Y420-N424 PolarHBondContact O-ND2 3.39Å; Y420-K426 HydrophobicContact CE1-CD 4.25Å; Y420-K426 PolarHBondContact OH-NZ 2.93Å; Y420-V479 HydrophobicContact CD1-CG1 4.02Å; Y420-V479 HydrophobicContact CE1-CG1 3.7Å; Y420-Y550 AromaticContact CD1-CD1 3.66Å; Y420-Y550 HydrophobicContact CD1-CD1 3.66Å; Y420-Y550 HydrophobicContact CD1-CE1 4.04Å; Y420-Y550 AromaticContact CD1-CG 3.98Å; Y420-Y550 HydrophobicContact CD1-CG 3.98Å; Y420-Y550 AromaticContact CD2-CD1 3.92Å; Y420-Y550 HydrophobicContact CD2-CD1 3.92Å; Y420-Y550 AromaticContact CD2-CD2 3.38Å; Y420-Y550 HydrophobicContact CD2-CD2 3.38Å; Y420-Y550 HydrophobicContact CD2-CE1 4.16Å; Y420-Y550 AromaticContact CD2-CE2 3.63Å; Y420-Y550 HydrophobicContact CD2-CE2 3.63Å; Y420-Y550 AromaticContact CD2-CG 3.53Å; Y420-Y550 HydrophobicContact CD2-CG 3.53Å; Y420-Y550 HydrophobicContact CE1-CD1 4Å; Y420-Y550 HydrophobicContact CE1-CG 4Å; Y420-Y550 HydrophobicContact CE2-CD1 4.24Å; Y420-Y550 AromaticContact CE2-CD2 3.61Å; Y420-Y550 HydrophobicContact CE2-CD2 3.61Å; Y420-Y550 HydrophobicContact CE2-CE2 4.33Å; Y420-Y550 AromaticContact CE2-CG 3.55Å; Y420-Y550 HydrophobicContact CE2-CG 3.55Å; Y420-Y550 AromaticContact CG-CD1 3.65Å; Y420-Y550 HydrophobicContact CG-CD1 3.65Å; Y420-Y550 AromaticContact CG-CD2 3.96Å; Y420-Y550 HydrophobicContact CG-CD2 3.96Å; Y420-Y550 AromaticContact CG-CE1 3.7Å; Y420-Y550 HydrophobicContact CG-CE1 3.7Å; Y420-Y550 AromaticContact CG-CE2 3.99Å; Y420-Y550 HydrophobicContact CG-CE2 3.99Å; Y420-Y550 AromaticContact CG-CG 3.78Å; Y420-Y550 HydrophobicContact CG-CG 3.78Å; Y420-Y550 AromaticContact CG-CZ 3.87Å; Y420-Y550 AromaticContact CZ-CG 3.81Å
421	L	88.4	Confident	85	Confident	15 Å²	15	75.1 Å²	75.1	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-43.4	178.3	-69.5	-179.1	0	0	0	111.9	W417 F418 Q425 K426 A427 V479	W417-L421 HydrophobicContact CD2-CD1 4.06Å; W417-L421 HydrophobicContact CD2-CG 4.45Å; W417-L421 HydrophobicContact CE3-CD1 3.87Å; W417-L421 HydrophobicContact CH2-CD1 3.57Å; W417-L421 HydrophobicContact CZ2-CD1 3.74Å; W417-L421 HydrophobicContact CZ3-CD1 3.63Å; W417-L421 WeakPolarHBondContact O-CG 3.21Å; W417-L421 PolarHBondContact O-N 3.16Å; F418-L421 PolarHBondContact O-N 3.45Å; L421-Q425 PolarHBondContact O-N 3.47Å; L421-K426 HydrophobicContact CD2-CB 3.93Å; L421-K426 CarbonylContact O-C 3.59Å; L421-K426 PolarHBondContact O-N 3.07Å; L421-A427 HydrophobicContact CB-CB 4.3Å; L421-A427 PolarHBondContact O-N 3.23Å; L421-V479 HydrophobicContact CD2-CB 3.99Å; L421-V479 HydrophobicContact CD2-CG1 4.06Å; L421-V479 HydrophobicContact CD2-CG2 3.92Å
422	W	86.9	Confident	84.5	Confident	98 Å²	98	78.7 Å²	78.7	37%	0.371	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-51.3	178.5	-174.6	-103.8	0	0	0	112.4	R387 F390 F418 Y420 N424 Q425 A427	R387-W422 HydrophobicContact CB-CH2 3.81Å; R387-W422 HydrophobicContact CB-CZ2 3.95Å; R387-W422 HydrophobicContact CG-CH2 4.07Å; R387-W422 HydrophobicContact CG-CZ2 3.79Å; F390-W422 HydrophobicContact CB-CE3 3.97Å; F390-W422 HydrophobicContact CB-CH2 4.5Å; F390-W422 HydrophobicContact CB-CZ3 3.64Å; F390-W422 HydrophobicContact CD1-CB 4.41Å; F390-W422 AromaticContact CD1-CD2 3.72Å; F390-W422 HydrophobicContact CD1-CD2 3.72Å; F390-W422 AromaticContact CD1-CE3 3.21Å; F390-W422 HydrophobicContact CD1-CE3 3.21Å; F390-W422 HydrophobicContact CD1-CG 4.23Å; F390-W422 AromaticContact CD1-CZ3 3.78Å; F390-W422 HydrophobicContact CD1-CZ3 3.78Å; F390-W422 AromaticContact CD2-CE3 4Å; F390-W422 HydrophobicContact CD2-CE3 4Å; F390-W422 HydrophobicContact CD2-CZ3 4.38Å; F390-W422 HydrophobicContact CE1-CB 3.55Å; F390-W422 AromaticContact CE1-CD2 3.79Å; F390-W422 HydrophobicContact CE1-CD2 3.79Å; F390-W422 AromaticContact CE1-CE3 3.56Å; F390-W422 HydrophobicContact CE1-CE3 3.56Å; F390-W422 AromaticContact CE1-CG 3.8Å; F390-W422 HydrophobicContact CE1-CG 3.8Å; F390-W422 HydrophobicContact CE2-CE3 4.3Å; F390-W422 HydrophobicContact CG-CD2 4.39Å; F390-W422 AromaticContact CG-CE3 3.44Å; F390-W422 HydrophobicContact CG-CE3 3.44Å; F390-W422 VanDerWaalsContact CG-CE3 3.44Å; F390-W422 AromaticContact CG-CZ3 3.68Å; F390-W422 HydrophobicContact CG-CZ3 3.68Å; F390-W422 HydrophobicContact CZ-CB 3.78Å; F390-W422 HydrophobicContact CZ-CE3 4.1Å; F390-W422 HydrophobicContact CZ-CG 4.44Å; F418-W422 PolarHBondContact O-N 3.32Å; Y420-W422 VanDerWaalsContact C-N 3.33Å; Y420-W422 PolarHBondContact O-N 2.9Å; W422-N424 PolarHBondContact O-N 3.31Å; W422-Q425 PolarHBondContact O-N 3.04Å; W422-A427 HydrophobicContact CE3-CB 4.13Å
423	T	87.5	Confident	84	Confident	111 Å²	111	79.6 Å²	79.6	68%	0.681	39%	0.389	S	S	*	.	H	α-helix	trans	-62.6	-33	-174.7	-54.7	0	0	0	0	112.2	D419 Y420	D419-T423 VanDerWaalsContact O-CB 3.3Å; D419-T423 WeakPolarHBondContact O-CB 3.49Å; D419-T423 PolarHBondContact O-N 3.05Å; D419-T423 PolarHBondContact O-OG1 3.25Å; Y420-T423 PolarHBondContact O-N 3.36Å
424	N	85.3	Confident	83.5	Confident	73 Å²	73	75 Å²	75	39%	0.39	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10.2	179.4	-61.8	-91.3	0	0	0	113.2	Y420 W422 K426	Y420-N424 WeakPolarHBondContact CD2-ND2 3.48Å; Y420-N424 WeakPolarHBondContact CE2-ND2 3.4Å; Y420-N424 PolarHBondContact O-N 3.06Å; Y420-N424 VanDerWaalsContact O-N 3.13Å; Y420-N424 PolarHBondContact O-ND2 3.39Å; W422-N424 PolarHBondContact O-N 3.31Å; N424-K426 HydrophobicContact CB-CD 4.16Å; N424-K426 HydrophobicContact CB-CG 4.15Å; N424-K426 PolarHBondContact O-N 3.27Å; N424-K426 VanDerWaalsContact O-N 3.11Å
425	Q	79.3	Confident	83.1	Confident	172 Å²	172	79.1 Å²	79.1	80%	0.804	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	14.4	-177.5	-55.9	-177.5	-8.9	0	0	115.2	L421 W422 A427	L421-Q425 PolarHBondContact O-N 3.47Å; W422-Q425 PolarHBondContact O-N 3.04Å; Q425-A427 PolarHBondContact O-N 3.09Å
426	K	76.8	Confident	82.7	Confident	52 Å²	52	80.6 Å²	80.6	23%	0.226	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	13.7	178.2	-58.5	178.6	-175.6	-175.7	0	113.1	Y420 L421 N424 V479 E501 D552	Y420-K426 HydrophobicContact CE1-CD 4.25Å; Y420-K426 PolarHBondContact OH-NZ 2.93Å; L421-K426 HydrophobicContact CD2-CB 3.93Å; L421-K426 CarbonylContact O-C 3.59Å; L421-K426 PolarHBondContact O-N 3.07Å; N424-K426 HydrophobicContact CB-CD 4.16Å; N424-K426 HydrophobicContact CB-CG 4.15Å; N424-K426 PolarHBondContact O-N 3.27Å; N424-K426 VanDerWaalsContact O-N 3.11Å; K426-V479 HydrophobicContact CD-CG2 4.36Å; K426-E501 IonicContact NZ-OE2 2.69Å; K426-E501 PolarHBondContact NZ-OE2 3.2Å; K426-E501 VanDerWaalsContact NZ-OE2 3.15Å; K426-D552 WeakPolarHBondContact CE-OD2 3.45Å; K426-D552 IonicContact NZ-OD1 2.71Å; K426-D552 PolarHBondContact NZ-OD1 3.02Å; K426-D552 IonicContact NZ-OD2 2.76Å; K426-D552 PolarHBondContact NZ-OD2 3.06Å
427	A	68.9	Low	82.5	Confident	22 Å²	22	76.4 Å²	76.4	18%	0.182	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7	-178.6	0	0	0	0	0	114.4	F390 L421 W422 Q425	F390-A427 HydrophobicContact CD2-CB 3.91Å; F390-A427 HydrophobicContact CE2-CB 3.58Å; F390-A427 HydrophobicContact CZ-CB 4.2Å; L421-A427 HydrophobicContact CB-CB 4.3Å; L421-A427 PolarHBondContact O-N 3.23Å; W422-A427 HydrophobicContact CE3-CB 4.13Å; Q425-A427 PolarHBondContact O-N 3.09Å
428	V	74.1	Confident	82.4	Confident	89 Å²	89	76.3 Å²	76.3	54%	0.539	39%	0.391	S	S	.	.	S	Bend	trans	-97.2	135.1	-179.7	-176.6	0	0	0	0	109.5	E430 V433	V428-E430 PolarHBondContact O-N 3.22Å; V428-V433 HydrophobicContact CG1-CG2 3.46Å; V428-V433 VanDerWaalsContact CG1-CG2 3.46Å
429	D	74.2	Confident	82.1	Confident	88 Å²	88	80.2 Å²	80.2	47%	0.471	41%	0.413	S	S	.	.			trans	-79.9	115	175	-170.2	-23.5	0	0	0	110.3	Q431 E432 V433	D429-Q431 PolarHBondContact O-N 2.72Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.31Å; D429-Q431 PolarHBondContact OD1-N 3.25Å; D429-E432 HydrophobicContact CB-CB 4.41Å; D429-E432 PolarHBondContact O-N 2.82Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 3.09Å
430	E	76	Confident	81.8	Confident	73 Å²	73	83.4 Å²	83.4	34%	0.341	42%	0.423	S	S	.	.	H	α-helix	trans	-57.8	-32.3	177.7	-64.7	179.6	171	0	0	111.8	V428 L434 H450	V428-E430 PolarHBondContact O-N 3.22Å; E430-L434 WeakPolarHBondContact O-CB 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.17Å; E430-L434 PolarHBondContact O-N 3.48Å; E430-L434 VanDerWaalsContact O-N 3.09Å; E430-H450 IonicContact OE2-CE1 2.63Å
431	Q	73.9	Confident	81.8	Confident	117 Å²	117	85.4 Å²	85.4	55%	0.547	44%	0.436	S	S	.	.	H	α-helix	trans	-72.1	-42.9	-178	-60.2	-160.5	-16	0	0	112.2	D429 L434 K435	D429-Q431 PolarHBondContact O-N 2.72Å; D429-Q431 WeakPolarHBondContact OD1-CB 3.31Å; D429-Q431 PolarHBondContact OD1-N 3.25Å; Q431-L434 PolarHBondContact O-N 3.31Å; Q431-K435 WeakPolarHBondContact O-CB 3.41Å; Q431-K435 PolarHBondContact O-N 3.12Å
432	E	80.7	Confident	81.6	Confident	103 Å²	103	88.8 Å²	88.8	48%	0.481	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-36.6	175.9	-77.8	-64.2	136.6	0	0	112.1	D429 K435	D429-E432 HydrophobicContact CB-CB 4.41Å; D429-E432 PolarHBondContact O-N 2.82Å; E432-K435 VanDerWaalsContact O-CB 3.25Å; E432-K435 WeakPolarHBondContact O-CB 3.38Å; E432-K435 PolarHBondContact O-N 3.12Å; E432-K435 WeakPolarHBondContact OE1-CD 3.12Å; E432-K435 IonicContact OE1-NZ 2.83Å; E432-K435 PolarHBondContact OE1-NZ 3.28Å; E432-K435 WeakPolarHBondContact OE2-CD 3.35Å; E432-K435 IonicContact OE2-NZ 3.08Å; E432-K435 PolarHBondContact OE2-NZ 2.92Å
433	V	82.4	Confident	81.3	Confident	88 Å²	88	85 Å²	85	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-44.3	175.1	173.7	0	0	0	0	111.3	V428 D429 K435	V428-V433 HydrophobicContact CG1-CG2 3.46Å; V428-V433 VanDerWaalsContact CG1-CG2 3.46Å; D429-V433 WeakPolarHBondContact O-CG2 3.38Å; D429-V433 PolarHBondContact O-N 3.09Å; V433-K435 VanDerWaalsContact C-N 3.34Å
434	L	81.3	Confident	81.2	Confident	30 Å²	30	83 Å²	83	16%	0.157	42%	0.42	C	S	.	.	H	α-helix	trans	-82	-9.3	-177	-62.8	173.4	0	0	0	113.9	E430 Q431 N436 L437 R442 I445	E430-L434 WeakPolarHBondContact O-CB 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.17Å; E430-L434 PolarHBondContact O-N 3.48Å; E430-L434 VanDerWaalsContact O-N 3.09Å; Q431-L434 PolarHBondContact O-N 3.31Å; L434-N436 VanDerWaalsContact C-N 3.3Å; L434-N436 PolarHBondContact O-N 3.38Å; L434-L437 HydrophobicContact CD2-CD1 3.7Å; L434-L437 WeakPolarHBondContact O-CB 3.49Å; L434-L437 PolarHBondContact O-N 2.99Å; L434-L437 VanDerWaalsContact O-N 3.17Å; L434-R442 HydrophobicContact CB-CG 4Å; L434-R442 HydrophobicContact CD1-CG 4.36Å; L434-I445 HydrophobicContact CD2-CD1 4.11Å; L434-I445 HydrophobicContact CD2-CG2 4.09Å
435	K	83.9	Confident	81.3	Confident	124 Å²	124	82.8 Å²	82.8	54%	0.539	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35	-179.4	-171.3	172.7	173.3	-179	0	114.3	Q431 E432 V433 L437	Q431-K435 WeakPolarHBondContact O-CB 3.41Å; Q431-K435 PolarHBondContact O-N 3.12Å; E432-K435 VanDerWaalsContact O-CB 3.25Å; E432-K435 WeakPolarHBondContact O-CB 3.38Å; E432-K435 PolarHBondContact O-N 3.12Å; E432-K435 WeakPolarHBondContact OE1-CD 3.12Å; E432-K435 IonicContact OE1-NZ 2.83Å; E432-K435 PolarHBondContact OE1-NZ 3.28Å; E432-K435 WeakPolarHBondContact OE2-CD 3.35Å; E432-K435 IonicContact OE2-NZ 3.08Å; E432-K435 PolarHBondContact OE2-NZ 2.92Å; V433-K435 VanDerWaalsContact C-N 3.34Å; K435-L437 VanDerWaalsContact C-N 3.31Å
436	N	85.4	Confident	81.4	Confident	79 Å²	79	75 Å²	75	42%	0.422	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.6	-178.3	-70	-60.5	0	0	0	113.9	S30 L434	S30-N436 PolarHBondContact OG-OD1 3.23Å; L434-N436 VanDerWaalsContact C-N 3.3Å; L434-N436 PolarHBondContact O-N 3.38Å
437	L	86.9	Confident	81.8	Confident	35 Å²	35	73.8 Å²	73.8	18%	0.183	38%	0.378	C	S	.	.	S	Bend	trans	-90.6	143.9	-178.8	-60.4	179.8	0	0	0	111.9	L32 L434 K435 I445	L32-L437 HydrophobicContact CD1-CD2 4.34Å; L434-L437 HydrophobicContact CD2-CD1 3.7Å; L434-L437 WeakPolarHBondContact O-CB 3.49Å; L434-L437 PolarHBondContact O-N 2.99Å; L434-L437 VanDerWaalsContact O-N 3.17Å; K435-L437 VanDerWaalsContact C-N 3.31Å; L437-I445 HydrophobicContact CD1-CD1 3.49Å; L437-I445 VanDerWaalsContact CD1-CD1 3.49Å
438	P	89.6	Confident	82.5	Confident	80 Å²	80	79.3 Å²	79.3	52%	0.519	41%	0.405	S	S	.	.			trans	-54.3	141.7	167.3	-23.6	33.1	0	0	0	111.7	K440 L441 R442	P438-K440 PolarHBondContact O-N 3.32Å; P438-L441 HydrophobicContact CG-CD1 4.44Å; P438-L441 PolarHBondContact O-N 3.44Å; P438-R442 PolarHBondContact O-N 3.17Å
439	N	82.4	Confident	82.9	Confident	112 Å²	112	78.9 Å²	78.9	60%	0.599	40%	0.402	S	S	*	.	H	α-helix	trans	-49.4	-36.7	-176.9	-71.2	-19.1	0	0	0	113.7	R442 A443	N439-R442 PolarHBondContact O-N 3.16Å; N439-R442 PolarHBondContact OD1-NH1 3.21Å; N439-R442 PolarHBondContact OD1-NH2 3.21Å; N439-R442 VanDerWaalsContact OD1-NH2 3.09Å; N439-A443 WeakPolarHBondContact O-CB 3.45Å; N439-A443 PolarHBondContact O-N 2.84Å
440	K	84.9	Confident	83.3	Confident	150 Å²	150	75.4 Å²	75.4	65%	0.652	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-50.8	175.6	179	173	171.9	177.3	0	112.5	P438 R442 A443 E444	P438-K440 PolarHBondContact O-N 3.32Å; K440-R442 VanDerWaalsContact C-N 3.34Å; K440-R442 PolarHBondContact O-N 2.88Å; K440-A443 PolarHBondContact O-N 3.31Å; K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 WeakPolarHBondContact CG-OE1 3.1Å; K440-E444 IonicContact NZ-OE1 2.63Å; K440-E444 WeakPolarHBondContact O-CG 3.34Å; K440-E444 PolarHBondContact O-N 3.47Å
441	L	87.9	Confident	83.7	Confident	83 Å²	83	73.3 Å²	73.3	44%	0.435	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-35.7	178.1	-66.5	-178.1	0	0	0	111.7	P438 A443 E444 I445	P438-L441 HydrophobicContact CG-CD1 4.44Å; P438-L441 PolarHBondContact O-N 3.44Å; L441-A443 VanDerWaalsContact C-N 3.34Å; L441-E444 WeakPolarHBondContact CD2-OE2 3.38Å; L441-E444 PolarHBondContact O-N 2.98Å; L441-I445 VanDerWaalsContact O-CG1 3.32Å; L441-I445 WeakPolarHBondContact O-CG1 3.35Å; L441-I445 PolarHBondContact O-N 3.24Å
442	R	84.1	Confident	84.1	Confident	86 Å²	86	73.9 Å²	73.9	33%	0.325	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-43.4	172.9	-175.7	171.6	78	-127.4	-1.7	111.5	L434 P438 N439 K440 A446	L434-R442 HydrophobicContact CB-CG 4Å; L434-R442 HydrophobicContact CD1-CG 4.36Å; P438-R442 PolarHBondContact O-N 3.17Å; N439-R442 PolarHBondContact O-N 3.16Å; N439-R442 PolarHBondContact OD1-NH1 3.21Å; N439-R442 PolarHBondContact OD1-NH2 3.21Å; N439-R442 VanDerWaalsContact OD1-NH2 3.09Å; K440-R442 VanDerWaalsContact C-N 3.34Å; K440-R442 PolarHBondContact O-N 2.88Å; R442-A446 WeakPolarHBondContact O-CB 3.23Å; R442-A446 PolarHBondContact O-N 3.42Å
443	A	82	Confident	84.2	Confident	18 Å²	18	70.1 Å²	70.1	15%	0.149	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-49.3	175.1	0	0	0	0	0	111.8	N439 K440 L441 I445 A446 I447 L473	N439-A443 WeakPolarHBondContact O-CB 3.45Å; N439-A443 PolarHBondContact O-N 2.84Å; K440-A443 PolarHBondContact O-N 3.31Å; L441-A443 VanDerWaalsContact C-N 3.34Å; A443-I445 VanDerWaalsContact C-N 3.29Å; A443-I445 PolarHBondContact O-N 2.96Å; A443-A446 PolarHBondContact O-N 2.92Å; A443-I447 HydrophobicContact CB-CD1 4.38Å; A443-I447 WeakPolarHBondContact O-CB 3.46Å; A443-I447 VanDerWaalsContact O-CD1 3.31Å; A443-I447 WeakPolarHBondContact O-CD1 3.47Å; A443-I447 WeakPolarHBondContact O-CG1 3.23Å; A443-I447 PolarHBondContact O-N 2.93Å; A443-L473 HydrophobicContact CB-CD1 4.19Å; A443-L473 HydrophobicContact CB-CD2 4.07Å
444	E	85.4	Confident	84.3	Confident	68 Å²	68	66 Å²	66	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-39.1	178.6	-73.5	167.4	-173.7	0	0	112.8	K440 L441 N448	K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 WeakPolarHBondContact CG-OE1 3.1Å; K440-E444 IonicContact NZ-OE1 2.63Å; K440-E444 WeakPolarHBondContact O-CG 3.34Å; K440-E444 PolarHBondContact O-N 3.47Å; L441-E444 WeakPolarHBondContact CD2-OE2 3.38Å; L441-E444 PolarHBondContact O-N 2.98Å; E444-N448 WeakPolarHBondContact O-CB 3.24Å; E444-N448 PolarHBondContact O-N 2.88Å; E444-N448 VanDerWaalsContact O-N 3.16Å; E444-N448 PolarHBondContact O-ND2 3.22Å
445	I	86.7	Confident	84.4	Confident	70 Å²	70	69.2 Å²	69.2	36%	0.359	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-52.6	173.6	-68	165.6	0	0	0	110.9	L434 L437 L441 A443 I447 N448 V449	L434-I445 HydrophobicContact CD2-CD1 4.11Å; L434-I445 HydrophobicContact CD2-CG2 4.09Å; L437-I445 HydrophobicContact CD1-CD1 3.49Å; L437-I445 VanDerWaalsContact CD1-CD1 3.49Å; L441-I445 VanDerWaalsContact O-CG1 3.32Å; L441-I445 WeakPolarHBondContact O-CG1 3.35Å; L441-I445 PolarHBondContact O-N 3.24Å; A443-I445 VanDerWaalsContact C-N 3.29Å; A443-I445 PolarHBondContact O-N 2.96Å; I445-I447 VanDerWaalsContact C-N 3.3Å; I445-I447 PolarHBondContact O-N 2.94Å; I445-N448 PolarHBondContact O-N 2.95Å; I445-N448 VanDerWaalsContact O-N 3.12Å; I445-V449 HydrophobicContact CG2-CG2 4.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.16Å; I445-V449 PolarHBondContact O-N 3.44Å
446	A	81.9	Confident	84.3	Confident	7 Å²	7	68.5 Å²	68.5	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-42.9	-178.1	0	0	0	0	0	111.7	R442 A443 V449 H450 V472 L473	R442-A446 WeakPolarHBondContact O-CB 3.23Å; R442-A446 PolarHBondContact O-N 3.42Å; A443-A446 PolarHBondContact O-N 2.92Å; A446-V449 PolarHBondContact O-N 3.33Å; A446-H450 WeakPolarHBondContact O-CB 3.42Å; A446-H450 PolarHBondContact O-CD2 2.71Å; A446-H450 PolarHBondContact O-N 3.35Å; A446-V472 HydrophobicContact CB-CG1 3.67Å; A446-V472 VanDerWaalsContact O-CG1 3.26Å; A446-V472 WeakPolarHBondContact O-CG1 3.49Å; A446-L473 HydrophobicContact CB-CD2 4.32Å
447	I	84.2	Confident	84.2	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.138	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-51.8	174.7	-65	162.1	0	0	0	110.1	A443 I445 V449 L451 V469	A443-I447 HydrophobicContact CB-CD1 4.38Å; A443-I447 WeakPolarHBondContact O-CB 3.46Å; A443-I447 VanDerWaalsContact O-CD1 3.31Å; A443-I447 WeakPolarHBondContact O-CD1 3.47Å; A443-I447 WeakPolarHBondContact O-CG1 3.23Å; A443-I447 PolarHBondContact O-N 2.93Å; I445-I447 VanDerWaalsContact C-N 3.3Å; I445-I447 PolarHBondContact O-N 2.94Å; I447-V449 VanDerWaalsContact C-N 3.3Å; I447-V449 PolarHBondContact O-N 3.48Å; I447-L451 HydrophobicContact CG2-CB 4.25Å; I447-L451 HydrophobicContact CG2-CD2 3.88Å; I447-L451 WeakPolarHBondContact O-CB 3.35Å; I447-L451 PolarHBondContact O-N 2.99Å; I447-V469 HydrophobicContact CD1-CB 4.36Å; I447-V469 HydrophobicContact CD1-CG1 3.63Å; I447-V469 HydrophobicContact CD1-CG2 3.94Å; I447-V469 HydrophobicContact CG1-CB 4.42Å; I447-V469 HydrophobicContact CG1-CG1 4.01Å; I447-V469 HydrophobicContact CG1-CG2 4.05Å
448	N	84.4	Confident	83.7	Confident	138 Å²	138	72.2 Å²	72.2	74%	0.738	35%	0.351	S	S	*	.	H	α-helix	trans	-65.8	-29.1	-178.3	-75.9	-47.6	0	0	0	113.6	E444 I445	E444-N448 WeakPolarHBondContact O-CB 3.24Å; E444-N448 PolarHBondContact O-N 2.88Å; E444-N448 VanDerWaalsContact O-N 3.16Å; E444-N448 PolarHBondContact O-ND2 3.22Å; I445-N448 PolarHBondContact O-N 2.95Å; I445-N448 VanDerWaalsContact O-N 3.12Å
449	V	82.1	Confident	83.1	Confident	80 Å²	80	69 Å²	69	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-84.6	-38.2	179.7	177.8	0	0	0	0	112.8	I445 A446 I447	I445-V449 HydrophobicContact CG2-CG2 4.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.16Å; I445-V449 PolarHBondContact O-N 3.44Å; A446-V449 PolarHBondContact O-N 3.33Å; I447-V449 VanDerWaalsContact C-N 3.3Å; I447-V449 PolarHBondContact O-N 3.48Å
450	H	82.4	Confident	83	Confident	15 Å²	15	63.8 Å²	63.8	7%	0.069	30%	0.302	C	S	.	.	H	α-helix	trans	-110.8	-20.9	-168.2	-51.4	-63.4	0	0	0	115	E430 A446 E452 T453 L454 V472 L475 F554	E430-H450 IonicContact OE2-CE1 2.63Å; A446-H450 WeakPolarHBondContact O-CB 3.42Å; A446-H450 PolarHBondContact O-CD2 2.71Å; A446-H450 PolarHBondContact O-N 3.35Å; H450-E452 VanDerWaalsContact C-N 3.29Å; H450-E452 PolarHBondContact O-N 2.92Å; H450-T453 WeakPolarHBondContact O-CB 3.37Å; H450-T453 PolarHBondContact O-N 3.21Å; H450-L454 PolarHBondContact O-N 2.84Å; H450-L454 VanDerWaalsContact O-N 3.11Å; H450-V472 HydrophobicContact CB-CG1 4.05Å; H450-V472 HydrophobicContact CB-CG2 3.88Å; H450-L475 HydrophobicContact CB-CD1 4.16Å; H450-F554 AromaticContact CE1-CE1 3.63Å; H450-F554 AromaticContact CE1-CZ 3.69Å; H450-F554 AromaticContact ND1-CE1 3.49Å; H450-F554 WeakPolarHBondContact ND1-CE1 3.41Å; H450-F554 AromaticContact ND1-CE2 3.98Å; H450-F554 AromaticContact ND1-CZ 3.17Å; H450-F554 WeakPolarHBondContact ND1-CZ 3.31Å
451	L	84	Confident	82.7	Confident	30 Å²	30	61.6 Å²	61.6	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-33.5	-174.9	-177.1	65.7	0	0	0	112.8	I447 T453 L454 K455 L468	I447-L451 HydrophobicContact CG2-CB 4.25Å; I447-L451 HydrophobicContact CG2-CD2 3.88Å; I447-L451 WeakPolarHBondContact O-CB 3.35Å; I447-L451 PolarHBondContact O-N 2.99Å; L451-T453 VanDerWaalsContact C-N 3.33Å; L451-L454 PolarHBondContact O-N 3.38Å; L451-K455 HydrophobicContact CD1-CD 4.45Å; L451-K455 HydrophobicContact CD1-CG 4.41Å; L451-K455 HydrophobicContact CG-CD 4.07Å; L451-K455 HydrophobicContact CG-CG 4.46Å; L451-K455 WeakPolarHBondContact O-CB 3.35Å; L451-K455 WeakPolarHBondContact O-CG 3.49Å; L451-K455 PolarHBondContact O-N 2.8Å; L451-L468 HydrophobicContact CD1-CB 3.6Å; L451-L468 HydrophobicContact CD1-CD1 3.99Å; L451-L468 HydrophobicContact CD1-CG 4.46Å
452	E	83.3	Confident	82.2	Confident	128 Å²	128	64.5 Å²	64.5	60%	0.598	31%	0.31	S	S	*	.	H	α-helix	trans	-69.4	-32.1	176.6	-152.2	-154.4	144.6	0	0	112	H450 K456	H450-E452 VanDerWaalsContact C-N 3.29Å; H450-E452 PolarHBondContact O-N 2.92Å; E452-K456 WeakPolarHBondContact O-CD 3.01Å; E452-K456 VanDerWaalsContact O-CG 3.31Å; E452-K456 WeakPolarHBondContact O-CG 3.34Å; E452-K456 PolarHBondContact O-N 2.86Å; E452-K456 WeakPolarHBondContact OE1-CE 3.48Å; E452-K456 IonicContact OE1-NZ 2.65Å; E452-K456 PolarHBondContact OE1-NZ 3.39Å
453	T	82.5	Confident	82.1	Confident	25 Å²	25	61.2 Å²	61.2	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-45.9	172.1	-48.4	0	0	0	0	110.6	H450 L451 K456 I498 F554	H450-T453 WeakPolarHBondContact O-CB 3.37Å; H450-T453 PolarHBondContact O-N 3.21Å; L451-T453 VanDerWaalsContact C-N 3.33Å; T453-K456 WeakPolarHBondContact O-CB 3.47Å; T453-K456 PolarHBondContact O-N 3.43Å; T453-K456 VanDerWaalsContact O-N 3.16Å; T453-I498 HydrophobicContact CG2-CG2 4.3Å; T453-F554 HydrophobicContact CG2-CD2 4.36Å; T453-F554 HydrophobicContact CG2-CE2 4.18Å
454	L	84.1	Confident	82.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-39.4	-179	-95.4	70.2	0	0	0	112.7	H450 L451 K456 V457 F460 L471 V472 L475 I498	H450-L454 PolarHBondContact O-N 2.84Å; H450-L454 VanDerWaalsContact O-N 3.11Å; L451-L454 PolarHBondContact O-N 3.38Å; L454-K456 PolarHBondContact O-N 3.19Å; L454-K456 VanDerWaalsContact O-N 3.17Å; L454-V457 WeakPolarHBondContact O-CB 3.32Å; L454-V457 PolarHBondContact O-N 3.43Å; L454-F460 HydrophobicContact CG-CD2 4.5Å; L454-L471 HydrophobicContact CD2-CB 4.15Å; L454-V472 HydrophobicContact CD2-CG2 4.09Å; L454-L475 HydrophobicContact CD1-CD1 3.52Å; L454-L475 HydrophobicContact CD2-CD1 4.46Å; L454-I498 HydrophobicContact CD1-CD1 3.93Å; L454-I498 HydrophobicContact CG-CD1 4.1Å
455	K	83.9	Confident	82	Confident	98 Å²	98	65.3 Å²	65.3	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-18.1	174.2	-74.3	173.8	176.1	171.5	0	114.2	L451 Q461 L468	L451-K455 HydrophobicContact CD1-CD 4.45Å; L451-K455 HydrophobicContact CD1-CG 4.41Å; L451-K455 HydrophobicContact CG-CD 4.07Å; L451-K455 HydrophobicContact CG-CG 4.46Å; L451-K455 WeakPolarHBondContact O-CB 3.35Å; L451-K455 WeakPolarHBondContact O-CG 3.49Å; L451-K455 PolarHBondContact O-N 2.8Å; K455-Q461 WeakPolarHBondContact O-CG 3.29Å; K455-Q461 PolarHBondContact O-NE2 3.43Å; K455-Q461 VanDerWaalsContact O-NE2 3.08Å; K455-L468 HydrophobicContact CG-CD1 4.05Å
456	K	82.9	Confident	81.9	Confident	110 Å²	110	63 Å²	63	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-82.6	-16.9	172.3	-69.9	166.3	-173	172.6	0	112.6	E452 T453 L454 R458 Q461	E452-K456 WeakPolarHBondContact O-CD 3.01Å; E452-K456 VanDerWaalsContact O-CG 3.31Å; E452-K456 WeakPolarHBondContact O-CG 3.34Å; E452-K456 PolarHBondContact O-N 2.86Å; E452-K456 WeakPolarHBondContact OE1-CE 3.48Å; E452-K456 IonicContact OE1-NZ 2.65Å; E452-K456 PolarHBondContact OE1-NZ 3.39Å; T453-K456 WeakPolarHBondContact O-CB 3.47Å; T453-K456 PolarHBondContact O-N 3.43Å; T453-K456 VanDerWaalsContact O-N 3.16Å; L454-K456 PolarHBondContact O-N 3.19Å; L454-K456 VanDerWaalsContact O-N 3.17Å; K456-R458 PolarHBondContact O-N 3.07Å; K456-Q461 PolarHBondContact O-NE2 3.17Å
457	V	82.8	Confident	82.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-79.4	117.9	177.9	-178.3	0	0	0	0	110.2	L454 I459 F460 Q461 I498 G521 C523	L454-V457 WeakPolarHBondContact O-CB 3.32Å; L454-V457 PolarHBondContact O-N 3.43Å; V457-I459 HydrophobicContact CG1-CB 4.44Å; V457-I459 PolarHBondContact O-N 2.91Å; V457-I459 VanDerWaalsContact O-N 3.11Å; V457-F460 HydrophobicContact CB-CB 4.47Å; V457-F460 HydrophobicContact CB-CD2 3.94Å; V457-F460 HydrophobicContact CG1-CD2 3.71Å; V457-F460 HydrophobicContact CG1-CE2 4.28Å; V457-F460 CarbonylContact O-C 3.55Å; V457-F460 PolarHBondContact O-N 3.01Å; V457-Q461 PolarHBondContact O-N 3.44Å; V457-I498 HydrophobicContact CG2-CG1 4.41Å; V457-I498 HydrophobicContact CG2-CG2 3.48Å; V457-I498 VanDerWaalsContact CG2-CG2 3.48Å; V457-G521 WeakPolarHBondContact CA-O 3.36Å; V457-C523 HydrophobicContact CG1-CB 3.82Å; V457-C523 WeakPolarHBondContact CG1-SG 3.33Å
458	R	76.3	Confident	82.2	Confident	191 Å²	191	61.7 Å²	61.7	72%	0.721	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.2	-175.5	-63.2	-175.6	-176.4	-174.5	0.4	114.9	K456 F460	K456-R458 PolarHBondContact O-N 3.07Å; R458-F460 PolarHBondContact O-N 3.17Å
459	I	77	Confident	82.2	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.072	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-69.3	-24.8	179	-57.3	-170.2	0	0	0	111.7	V457 C523 E526 L575 R578	V457-I459 HydrophobicContact CG1-CB 4.44Å; V457-I459 PolarHBondContact O-N 2.91Å; V457-I459 VanDerWaalsContact O-N 3.11Å; I459-C523 VanDerWaalsContact CD1-SG 3.54Å; I459-E526 HydrophobicContact CD1-CB 4.31Å; I459-E526 HydrophobicContact CD1-CG 3.91Å; I459-L575 HydrophobicContact CG2-CD1 3.53Å; I459-L575 HydrophobicContact CG2-CG 3.67Å; I459-R578 HydrophobicContact CD1-CG 4.24Å; I459-R578 HydrophobicContact CG1-CG 4.31Å
460	F	79.5	Confident	82.3	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-108.6	10.2	-175.9	-62.4	-52.8	0	0	0	113.4	L454 V457 R458 L468 L471 M496 I498 L575	L454-F460 HydrophobicContact CG-CD2 4.5Å; V457-F460 HydrophobicContact CB-CB 4.47Å; V457-F460 HydrophobicContact CB-CD2 3.94Å; V457-F460 HydrophobicContact CG1-CD2 3.71Å; V457-F460 HydrophobicContact CG1-CE2 4.28Å; V457-F460 CarbonylContact O-C 3.55Å; V457-F460 PolarHBondContact O-N 3.01Å; R458-F460 PolarHBondContact O-N 3.17Å; F460-L468 HydrophobicContact CB-CD2 3.79Å; F460-L468 HydrophobicContact CD1-CD2 4.48Å; F460-L468 HydrophobicContact CG-CD2 4.35Å; F460-L471 HydrophobicContact CD1-CD1 4.16Å; F460-L471 HydrophobicContact CE1-CD1 3.65Å; F460-L471 HydrophobicContact CZ-CD1 4.02Å; F460-M496 HydrophobicContact CE2-CE 3.87Å; F460-M496 HydrophobicContact CZ-CE 3.96Å; F460-M496 HydrophobicContact CZ-SD 4.34Å; F460-I498 HydrophobicContact CD2-CD1 4.49Å; F460-I498 HydrophobicContact CE2-CD1 4.01Å; F460-L575 HydrophobicContact CE1-CD1 4.16Å
461	Q	78.5	Confident	82.5	Confident	105 Å²	105	54.5 Å²	54.5	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-74.9	-41.1	180	-85.8	172	-14.3	0	0	112.9	K455 K456 V457	K455-Q461 WeakPolarHBondContact O-CG 3.29Å; K455-Q461 PolarHBondContact O-NE2 3.43Å; K455-Q461 VanDerWaalsContact O-NE2 3.08Å; K456-Q461 PolarHBondContact O-NE2 3.17Å; V457-Q461 PolarHBondContact O-N 3.44Å
462	D	77.8	Confident	82.6	Confident	144 Å²	144	53.3 Å²	53.3	77%	0.77	26%	0.263	S	S	*	.	S	Bend	trans	-94.6	9.4	-179.3	-52.8	-60.3	0	0	0	112.9
463	C	81.5	Confident	82.6	Confident	17 Å²	17	51 Å²	51	12%	0.115	25%	0.254	C	S	.	.	S	Bend	trans	-83.3	151.2	178.9	-74.5	0	0	0	0	112.6	L467 L468	C463-L467 HydrophobicContact CB-CD2 4.27Å; C463-L468 HydrophobicContact CB-CD2 4.1Å
464	E	84.4	Confident	82.8	Confident	130 Å²	130	51.3 Å²	51.3	61%	0.607	25%	0.253	S	S	*	.			trans	-63.3	142.9	174.3	-166.6	-177.6	174	0	0	111.9	G466 L467 L468 Y568	E464-G466 PolarHBondContact O-N 3.5Å; E464-L467 PolarHBondContact O-N 3.47Å; E464-L468 PolarHBondContact O-N 3.09Å; E464-Y568 HydrophobicContact CB-CD1 4.38Å
465	A	82.3	Confident	82.9	Confident	41 Å²	41	51.9 Å²	51.9	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-27.2	178.1	0	0	0	0	0	114.1	L468 V469	A465-L468 PolarHBondContact O-N 3.23Å; A465-V469 WeakPolarHBondContact O-CG2 3.49Å; A465-V469 PolarHBondContact O-N 2.85Å; A465-V469 VanDerWaalsContact O-N 3.09Å
466	G	84.1	Confident	83.1	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-53.1	174.8	0	0	0	0	0	112.1	E464 L468 V469 E470 Y568	E464-G466 PolarHBondContact O-N 3.5Å; G466-L468 VanDerWaalsContact C-N 3.29Å; G466-L468 PolarHBondContact O-N 2.92Å; G466-V469 WeakPolarHBondContact O-CB 3.33Å; G466-V469 PolarHBondContact O-N 2.9Å; G466-V469 VanDerWaalsContact O-N 3.12Å; G466-E470 PolarHBondContact O-N 3.25Å; G466-Y568 WeakPolarHBondContact CA-OH 3.37Å
467	L	86.6	Confident	83.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-43.7	174.3	179	63.8	0	0	0	111.7	C463 E464 V469 E470 L471 A564 V565 Y568 A571	C463-L467 HydrophobicContact CB-CD2 4.27Å; E464-L467 PolarHBondContact O-N 3.47Å; L467-V469 VanDerWaalsContact C-N 3.29Å; L467-V469 PolarHBondContact O-N 3.33Å; L467-E470 PolarHBondContact O-N 3.5Å; L467-L471 HydrophobicContact CD1-CD1 3.94Å; L467-L471 HydrophobicContact CD1-CD2 4.14Å; L467-L471 HydrophobicContact CD1-CG 3.77Å; L467-L471 HydrophobicContact CD2-CD1 4.33Å; L467-L471 HydrophobicContact CG-CD1 3.8Å; L467-L471 HydrophobicContact CG-CG 4.04Å; L467-L471 WeakPolarHBondContact O-CB 3.34Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 3.24Å; L467-A564 HydrophobicContact CD1-CB 3.75Å; L467-V565 HydrophobicContact CD1-CG2 4.35Å; L467-Y568 HydrophobicContact CB-CD1 4.07Å; L467-Y568 HydrophobicContact CB-CD2 3.73Å; L467-Y568 HydrophobicContact CB-CE1 4.36Å; L467-Y568 HydrophobicContact CB-CE2 4.07Å; L467-Y568 HydrophobicContact CB-CG 3.75Å; L467-Y568 HydrophobicContact CD1-CD2 3.72Å; L467-Y568 HydrophobicContact CD1-CE2 4.37Å; L467-Y568 HydrophobicContact CD1-CG 4.26Å; L467-Y568 HydrophobicContact CG-CD2 4.26Å; L467-Y568 HydrophobicContact CG-CG 4.43Å; L467-A571 HydrophobicContact CD2-CB 3.29Å
468	L	86.4	Confident	83.6	Confident	5 Å²	5	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-37	180	-57.3	-174.5	0	0	0	112.5	L451 K455 F460 C463 E464 A465 G466 V472	L451-L468 HydrophobicContact CD1-CB 3.6Å; L451-L468 HydrophobicContact CD1-CD1 3.99Å; L451-L468 HydrophobicContact CD1-CG 4.46Å; K455-L468 HydrophobicContact CG-CD1 4.05Å; F460-L468 HydrophobicContact CB-CD2 3.79Å; F460-L468 HydrophobicContact CD1-CD2 4.48Å; F460-L468 HydrophobicContact CG-CD2 4.35Å; C463-L468 HydrophobicContact CB-CD2 4.1Å; E464-L468 PolarHBondContact O-N 3.09Å; A465-L468 PolarHBondContact O-N 3.23Å; G466-L468 VanDerWaalsContact C-N 3.29Å; G466-L468 PolarHBondContact O-N 2.92Å; L468-V472 WeakPolarHBondContact O-CB 3.34Å; L468-V472 WeakPolarHBondContact O-CG2 3.18Å; L468-V472 PolarHBondContact O-N 3.15Å; L468-V472 VanDerWaalsContact O-N 3.15Å
469	V	83	Confident	84.3	Confident	47 Å²	47	46 Å²	46	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-42.8	175.8	165.8	0	0	0	0	111.3	I447 A465 G466 L467	I447-V469 HydrophobicContact CD1-CB 4.36Å; I447-V469 HydrophobicContact CD1-CG1 3.63Å; I447-V469 HydrophobicContact CD1-CG2 3.94Å; I447-V469 HydrophobicContact CG1-CB 4.42Å; I447-V469 HydrophobicContact CG1-CG1 4.01Å; I447-V469 HydrophobicContact CG1-CG2 4.05Å; A465-V469 WeakPolarHBondContact O-CG2 3.49Å; A465-V469 PolarHBondContact O-N 2.85Å; A465-V469 VanDerWaalsContact O-N 3.09Å; G466-V469 WeakPolarHBondContact O-CB 3.33Å; G466-V469 PolarHBondContact O-N 2.9Å; G466-V469 VanDerWaalsContact O-N 3.12Å; L467-V469 VanDerWaalsContact C-N 3.29Å; L467-V469 PolarHBondContact O-N 3.33Å
470	E	85.5	Confident	85.1	Confident	36 Å²	36	46.6 Å²	46.6	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-46.6	179.5	-161.5	-148.7	146.2	0	0	111.9	G466 L467 V472 L473 K474 A564	G466-E470 PolarHBondContact O-N 3.25Å; L467-E470 PolarHBondContact O-N 3.5Å; E470-V472 VanDerWaalsContact C-N 3.31Å; E470-V472 PolarHBondContact O-N 3.44Å; E470-L473 WeakPolarHBondContact O-CB 3.18Å; E470-L473 PolarHBondContact O-N 2.83Å; E470-L473 VanDerWaalsContact O-N 3.15Å; E470-K474 WeakPolarHBondContact OE1-CE 3.3Å; E470-K474 IonicContact OE1-NZ 3.65Å; E470-K474 PolarHBondContact OE1-NZ 3.32Å; E470-A564 VanDerWaalsContact CD-CB 3.43Å; E470-A564 VanDerWaalsContact OE1-CA 3.32Å; E470-A564 WeakPolarHBondContact OE1-CA 3.33Å; E470-A564 VanDerWaalsContact OE1-CB 3.25Å; E470-A564 WeakPolarHBondContact OE1-CB 3.48Å; E470-A564 VanDerWaalsContact OE2-CA 3.27Å; E470-A564 WeakPolarHBondContact OE2-CA 3.47Å; E470-A564 WeakPolarHBondContact OE2-CB 3.32Å
471	L	86.9	Confident	85.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-41.5	177.7	-69.2	-177.9	0	0	0	111.8	L454 F460 L467 L473 K474 L475 L556 L561 A564	L454-L471 HydrophobicContact CD2-CB 4.15Å; F460-L471 HydrophobicContact CD1-CD1 4.16Å; F460-L471 HydrophobicContact CE1-CD1 3.65Å; F460-L471 HydrophobicContact CZ-CD1 4.02Å; L467-L471 HydrophobicContact CD1-CD1 3.94Å; L467-L471 HydrophobicContact CD1-CD2 4.14Å; L467-L471 HydrophobicContact CD1-CG 3.77Å; L467-L471 HydrophobicContact CD2-CD1 4.33Å; L467-L471 HydrophobicContact CG-CD1 3.8Å; L467-L471 HydrophobicContact CG-CG 4.04Å; L467-L471 WeakPolarHBondContact O-CB 3.34Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.42Å; L467-L471 PolarHBondContact O-N 3.24Å; L471-L473 PolarHBondContact O-N 3.02Å; L471-K474 PolarHBondContact O-N 2.92Å; L471-L475 WeakPolarHBondContact O-CG 3.34Å; L471-L475 PolarHBondContact O-N 3.06Å; L471-L556 HydrophobicContact CD2-CD2 3.98Å; L471-L561 HydrophobicContact CD1-CD1 4.4Å; L471-L561 HydrophobicContact CD2-CD1 3.86Å; L471-A564 HydrophobicContact CD2-CB 3.6Å; L471-A564 HydrophobicContact CG-CB 4.44Å
472	V	85.9	Confident	86.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-54.3	-37.2	176.6	154.6	0	0	0	0	112.5	A446 H450 L454 L468 E470 K474 L475	A446-V472 HydrophobicContact CB-CG1 3.67Å; A446-V472 VanDerWaalsContact O-CG1 3.26Å; A446-V472 WeakPolarHBondContact O-CG1 3.49Å; H450-V472 HydrophobicContact CB-CG1 4.05Å; H450-V472 HydrophobicContact CB-CG2 3.88Å; L454-V472 HydrophobicContact CD2-CG2 4.09Å; L468-V472 WeakPolarHBondContact O-CB 3.34Å; L468-V472 WeakPolarHBondContact O-CG2 3.18Å; L468-V472 PolarHBondContact O-N 3.15Å; L468-V472 VanDerWaalsContact O-N 3.15Å; E470-V472 VanDerWaalsContact C-N 3.31Å; E470-V472 PolarHBondContact O-N 3.44Å; V472-K474 VanDerWaalsContact C-N 3.26Å; V472-K474 PolarHBondContact O-N 3.29Å; V472-L475 HydrophobicContact CG2-CD1 4.33Å
473	L	81.8	Confident	87	Confident	79 Å²	79	40.2 Å²	40.2	41%	0.414	23%	0.228	S	C	.	.	H	α-helix	trans	-71.1	-16.8	178.9	-77.8	169.9	0	0	0	114.1	A443 A446 E470 L471	A443-L473 HydrophobicContact CB-CD1 4.19Å; A443-L473 HydrophobicContact CB-CD2 4.07Å; A446-L473 HydrophobicContact CB-CD2 4.32Å; E470-L473 WeakPolarHBondContact O-CB 3.18Å; E470-L473 PolarHBondContact O-N 2.83Å; E470-L473 VanDerWaalsContact O-N 3.15Å; L471-L473 PolarHBondContact O-N 3.02Å
474	K	86.6	Confident	87.6	Confident	33 Å²	33	40.5 Å²	40.5	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-105	-5.2	-177.7	-53	-173.9	-164.7	178.8	0	113.8	E470 L471 V472 L556 D560 E563	E470-K474 WeakPolarHBondContact OE1-CE 3.3Å; E470-K474 IonicContact OE1-NZ 3.65Å; E470-K474 PolarHBondContact OE1-NZ 3.32Å; L471-K474 PolarHBondContact O-N 2.92Å; V472-K474 VanDerWaalsContact C-N 3.26Å; V472-K474 PolarHBondContact O-N 3.29Å; K474-L556 HydrophobicContact CB-CD1 3.82Å; K474-D560 HydrophobicContact CB-CB 3.94Å; K474-D560 HydrophobicContact CD-CB 3.65Å; K474-D560 WeakPolarHBondContact CD-O 3.44Å; K474-D560 HydrophobicContact CG-CB 4.39Å; K474-D560 PolarHBondContact NZ-O 3.29Å; K474-E563 IonicContact NZ-OE2 3.33Å; K474-E563 PolarHBondContact NZ-OE2 3.5Å
475	L	86.9	Confident	88	Confident	12 Å²	12	38 Å²	38	6%	0.063	21%	0.214	C	C	.	.			trans	-66	146.2	176.8	-59.3	176.5	0	0	0	111.7	H450 L454 L471 V472 I498 F554 L556	H450-L475 HydrophobicContact CB-CD1 4.16Å; L454-L475 HydrophobicContact CD1-CD1 3.52Å; L454-L475 HydrophobicContact CD2-CD1 4.46Å; L471-L475 WeakPolarHBondContact O-CG 3.34Å; L471-L475 PolarHBondContact O-N 3.06Å; V472-L475 HydrophobicContact CG2-CD1 4.33Å; L475-I498 HydrophobicContact CD2-CD1 4.29Å; L475-F554 HydrophobicContact CB-CB 4.3Å; L475-F554 HydrophobicContact CB-CD1 4.18Å; L475-F554 HydrophobicContact CB-CG 4.44Å; L475-F554 HydrophobicContact CD1-CB 4.39Å; L475-F554 HydrophobicContact CD1-CG 4.26Å; L475-F554 HydrophobicContact CD2-CB 4.21Å; L475-L556 HydrophobicContact CD2-CB 4.22Å; L475-L556 HydrophobicContact CD2-CD1 4.46Å
476	R	87.3	Confident	88.5	Confident	114 Å²	114	36.9 Å²	36.9	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	118.6	177.2	-52.6	177.4	-146.9	-171.7	4.9	109.2	C555 D560	R476-C555 PolarHBondContact N-O 3.29Å; R476-C555 PolarHBondContact O-N 2.89Å; R476-D560 IonicContact CZ-OD2 2.67Å; R476-D560 IonicContact NE-OD2 3.77Å; R476-D560 IonicContact NH2-OD1 3.86Å; R476-D560 IonicContact NH2-OD2 3.94Å; R476-D560 PolarHBondContact NH2-OD2 3.49Å
477	P	87.4	Confident	88.9	Confident	65 Å²	65	36.1 Å²	36.1	42%	0.422	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.7	178.2	29.2	-35.6	0	0	0	111.1	L553 F554	P477-L553 CarbonylContact C-O 3.59Å; P477-F554 HydrophobicContact CB-CD1 4.31Å; P477-F554 HydrophobicContact CB-CE1 4.17Å
478	Q	89.7	Confident	89.1	Confident	74 Å²	74	43 Å²	43	35%	0.346	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.7	-179.2	-164.2	175.9	22.8	0	0	111	F480 L553	Q478-F480 HydrophobicContact CB-CE2 4.06Å; Q478-F480 VanDerWaalsContact CD-CZ 3.41Å; Q478-F480 HydrophobicContact CG-CD2 4.37Å; Q478-F480 HydrophobicContact CG-CE2 3.59Å; Q478-F480 HydrophobicContact CG-CZ 3.9Å; Q478-L553 PolarHBondContact N-O 3.2Å; Q478-L553 PolarHBondContact O-N 2.86Å
479	V	91.9	Very high	89.3	Confident	23 Å²	23	47.7 Å²	47.7	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.6	-174.5	179.9	0	0	0	0	111	W417 Y420 L421 K426	W417-V479 PolarHBondContact NE1-O 3.03Å; Y420-V479 HydrophobicContact CD1-CG1 4.02Å; Y420-V479 HydrophobicContact CE1-CG1 3.7Å; L421-V479 HydrophobicContact CD2-CB 3.99Å; L421-V479 HydrophobicContact CD2-CG1 4.06Å; L421-V479 HydrophobicContact CD2-CG2 3.92Å; K426-V479 HydrophobicContact CD-CG2 4.36Å
480	F	92.9	Very high	89.5	Confident	26 Å²	26	46.6 Å²	46.6	11%	0.114	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.7	179	-68.8	-91.5	0	0	0	111.9	Q478 D484 I486 Y550 S551 L553	Q478-F480 HydrophobicContact CB-CE2 4.06Å; Q478-F480 VanDerWaalsContact CD-CZ 3.41Å; Q478-F480 HydrophobicContact CG-CD2 4.37Å; Q478-F480 HydrophobicContact CG-CE2 3.59Å; Q478-F480 HydrophobicContact CG-CZ 3.9Å; F480-D484 HydrophobicContact CB-CB 4.43Å; F480-D484 HydrophobicContact CD1-CB 4.41Å; F480-I486 HydrophobicContact CB-CG1 4.37Å; F480-I486 HydrophobicContact CD1-CB 4.49Å; F480-I486 HydrophobicContact CD1-CG1 3.65Å; F480-I486 HydrophobicContact CD2-CG1 4.03Å; F480-I486 HydrophobicContact CE1-CB 4.21Å; F480-I486 HydrophobicContact CE1-CG1 3.83Å; F480-I486 HydrophobicContact CE1-CG2 4.04Å; F480-I486 HydrophobicContact CE2-CG1 4.21Å; F480-I486 HydrophobicContact CE2-CG2 4.14Å; F480-I486 HydrophobicContact CG-CG1 3.74Å; F480-I486 HydrophobicContact CZ-CB 4.38Å; F480-I486 HydrophobicContact CZ-CG1 4.11Å; F480-I486 HydrophobicContact CZ-CG2 3.73Å; F480-Y550 VanDerWaalsContact O-CA 3.31Å; F480-Y550 WeakPolarHBondContact O-CA 3.34Å; F480-S551 PolarHBondContact N-O 3.16Å; F480-S551 PolarHBondContact O-N 3.43Å; F480-S551 VanDerWaalsContact O-N 3.11Å; F480-L553 HydrophobicContact CD2-CD1 3.69Å; F480-L553 HydrophobicContact CD2-CG 4.01Å; F480-L553 HydrophobicContact CE2-CB 4.43Å; F480-L553 HydrophobicContact CE2-CD1 3.69Å; F480-L553 HydrophobicContact CE2-CG 4.22Å
481	S	92.8	Very high	89.7	Confident	10 Å²	10	48.4 Å²	48.4	7%	0.07	25%	0.248	C	C	.	.			trans	-87.4	161.5	-177.6	-21.7	0	0	0	0	112.5	G483 D484 S547 G549	S481-G483 PolarHBondContact O-N 3.23Å; S481-D484 WeakPolarHBondContact CA-OD2 3.32Å; S481-D484 WeakPolarHBondContact CB-OD2 3.42Å; S481-D484 PolarHBondContact N-OD2 3.32Å; S481-D484 VanDerWaalsContact O-CB 3.29Å; S481-D484 WeakPolarHBondContact O-CB 3.36Å; S481-D484 PolarHBondContact O-N 3.38Å; S481-D484 PolarHBondContact OG-OD2 2.9Å; S481-S547 WeakPolarHBondContact O-CB 3.39Å; S481-G549 CarbonylContact C-O 3.56Å
482	P	93.6	Very high	89.8	Confident	65 Å²	65	53.4 Å²	53.4	42%	0.422	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	126.7	171.2	-19.5	28.3	0	0	0	111.7	G549 Y550	P482-G549 VanDerWaalsContact CA-O 3.3Å; P482-G549 WeakPolarHBondContact CA-O 3.21Å; P482-G549 VanDerWaalsContact N-O 3.13Å; P482-Y550 HydrophobicContact CG-CD2 4.02Å; P482-Y550 HydrophobicContact CG-CE2 4Å; P482-Y550 HydrophobicContact CG-CG 4.38Å
483	G	90.4	Very high	89.8	Confident	40 Å²	40	53.2 Å²	53.2	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-6.1	-178.1	0	0	0	0	0	115.3	S481 R546 S547	S481-G483 PolarHBondContact O-N 3.23Å; G483-R546 WeakPolarHBondContact O-CD 3.32Å; G483-R546 WeakPolarHBondContact O-CG 3.33Å; G483-S547 WeakPolarHBondContact CA-O 3.43Å; G483-S547 PolarHBondContact N-O 2.88Å
484	D	92.3	Very high	90.1	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.123	28%	0.282	C	S	.	.			trans	-71.9	131.4	-179	-71.2	-8.5	0	0	0	111.8	R413 F480 S481 R546 S547	R413-D484 IonicContact CZ-OD1 3.54Å; R413-D484 IonicContact NE-OD1 3.97Å; R413-D484 VanDerWaalsContact NH2-CG 3.34Å; R413-D484 IonicContact NH2-OD1 2.83Å; R413-D484 PolarHBondContact NH2-OD1 2.94Å; R413-D484 IonicContact NH2-OD2 3.17Å; R413-D484 PolarHBondContact NH2-OD2 2.89Å; F480-D484 HydrophobicContact CB-CB 4.43Å; F480-D484 HydrophobicContact CD1-CB 4.41Å; S481-D484 WeakPolarHBondContact CA-OD2 3.32Å; S481-D484 WeakPolarHBondContact CB-OD2 3.42Å; S481-D484 PolarHBondContact N-OD2 3.32Å; S481-D484 VanDerWaalsContact O-CB 3.29Å; S481-D484 WeakPolarHBondContact O-CB 3.36Å; S481-D484 PolarHBondContact O-N 3.38Å; S481-D484 PolarHBondContact OG-OD2 2.9Å; D484-R546 CarbonylContact O-C 3.32Å; D484-R546 VanDerWaalsContact O-CA 3.27Å; D484-R546 WeakPolarHBondContact O-CA 3.36Å; D484-S547 PolarHBondContact O-N 3.46Å
485	Y	93.1	Very high	90.3	Very high	78 Å²	78	57.6 Å²	57.6	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.7	169	-72.3	-88.7	0	0	0	109.5	N544 I545 R546	Y485-N544 HydrophobicContact CD1-CB 4.25Å; Y485-N544 HydrophobicContact CE1-CB 4.12Å; Y485-I545 CarbonylContact C-O 3.53Å; Y485-I545 WeakPolarHBondContact CA-O 3.23Å; Y485-R546 HydrophobicContact CD1-CB 3.98Å; Y485-R546 HydrophobicContact CE1-CB 4.03Å; Y485-R546 HydrophobicContact CE1-CG 4.49Å; Y485-R546 HydrophobicContact CG-CB 4.46Å; Y485-R546 PolarHBondContact OH-NH1 3.11Å; Y485-R546 VanDerWaalsContact OH-NH1 3.16Å
486	I	93.9	Very high	90.5	Very high	18 Å²	18	57.1 Å²	57.1	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-36.7	176.9	-57.7	92.7	0	0	0	110.1	F480 Y497 L504 F524 I545 L553	F480-I486 HydrophobicContact CB-CG1 4.37Å; F480-I486 HydrophobicContact CD1-CB 4.49Å; F480-I486 HydrophobicContact CD1-CG1 3.65Å; F480-I486 HydrophobicContact CD2-CG1 4.03Å; F480-I486 HydrophobicContact CE1-CB 4.21Å; F480-I486 HydrophobicContact CE1-CG1 3.83Å; F480-I486 HydrophobicContact CE1-CG2 4.04Å; F480-I486 HydrophobicContact CE2-CG1 4.21Å; F480-I486 HydrophobicContact CE2-CG2 4.14Å; F480-I486 HydrophobicContact CG-CG1 3.74Å; F480-I486 HydrophobicContact CZ-CB 4.38Å; F480-I486 HydrophobicContact CZ-CG1 4.11Å; F480-I486 HydrophobicContact CZ-CG2 3.73Å; I486-Y497 HydrophobicContact CG2-CD2 3.81Å; I486-Y497 HydrophobicContact CG2-CE1 4.45Å; I486-Y497 HydrophobicContact CG2-CE2 3.64Å; I486-Y497 HydrophobicContact CG2-CG 4.27Å; I486-L504 HydrophobicContact CD1-CD1 4.2Å; I486-L504 HydrophobicContact CD1-CD2 3.8Å; I486-F524 HydrophobicContact CB-CE2 4.37Å; I486-F524 HydrophobicContact CB-CZ 4.33Å; I486-F524 HydrophobicContact CG2-CE2 3.99Å; I486-F524 HydrophobicContact CG2-CZ 3.95Å; I486-I545 HydrophobicContact CD1-CG2 4.35Å; I486-I545 PolarHBondContact N-O 2.91Å; I486-L553 HydrophobicContact CG1-CD1 4.06Å; I486-L553 HydrophobicContact CG2-CD1 4.1Å
487	C	91.7	Very high	90.7	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.8	168.2	64.3	0	0	0	0	111.2	R541 N544 I545	C487-R541 HydrophobicContact CB-CG 3.92Å; C487-N544 WeakPolarHBondContact O-CA 3.27Å; C487-I545 PolarHBondContact O-N 3.28Å
488	R	91.6	Very high	90.9	Very high	145 Å²	145	49.3 Å²	49.3	55%	0.547	25%	0.249	S	C	.	.			trans	-110.9	152	170.6	-53.2	-179.4	179	-153.4	-2.1	110.2	G490 D491 R541 N544	R488-G490 PolarHBondContact O-N 3.29Å; R488-D491 WeakPolarHBondContact CA-OD2 3.42Å; R488-D491 VanDerWaalsContact CB-OD2 3.27Å; R488-D491 WeakPolarHBondContact CB-OD2 3.4Å; R488-D491 PolarHBondContact N-OD2 3.47Å; R488-D491 WeakPolarHBondContact O-CB 3.37Å; R488-D491 PolarHBondContact O-N 2.94Å; R488-D491 VanDerWaalsContact O-N 3.14Å; R488-R541 VanDerWaalsContact O-CB 3.22Å; R488-R541 WeakPolarHBondContact O-CB 3.44Å; R488-N544 WeakPolarHBondContact CA-OD1 3.3Å
489	K	89.4	Confident	91	Very high	102 Å²	102	45.8 Å²	45.8	44%	0.443	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.6	174.6	-178.1	-179.5	-178.7	179.8	0	109.7	D509 M537 N544	K489-D509 WeakPolarHBondContact CD-OD1 3.45Å; K489-D509 IonicContact NZ-OD1 3.21Å; K489-D509 IonicContact NZ-OD2 2.76Å; K489-D509 PolarHBondContact NZ-OD2 2.94Å; K489-M537 HydrophobicContact CG-CE 4.47Å; K489-N544 WeakPolarHBondContact CB-OD1 3.46Å; K489-N544 PolarHBondContact N-OD1 3.21Å
490	G	87.6	Confident	90.9	Very high	24 Å²	24	47.8 Å²	47.8	25%	0.247	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-12.2	-177.6	0	0	0	0	0	116.2	R488 R540 R541	R488-G490 PolarHBondContact O-N 3.29Å; G490-R540 WeakPolarHBondContact O-CD 3.43Å; G490-R540 PolarHBondContact O-NH1 3.34Å; G490-R541 PolarHBondContact N-O 2.97Å
491	D	89.4	Confident	90.7	Very high	75 Å²	75	50.6 Å²	50.6	40%	0.401	25%	0.253	S	S	.	.	S	Bend	trans	-60.6	157.1	171.3	-72	-25.3	0	0	0	111.2	R488 G493 R540 R541	R488-D491 WeakPolarHBondContact CA-OD2 3.42Å; R488-D491 VanDerWaalsContact CB-OD2 3.27Å; R488-D491 WeakPolarHBondContact CB-OD2 3.4Å; R488-D491 PolarHBondContact N-OD2 3.47Å; R488-D491 WeakPolarHBondContact O-CB 3.37Å; R488-D491 PolarHBondContact O-N 2.94Å; R488-D491 VanDerWaalsContact O-N 3.14Å; D491-G493 PolarHBondContact O-N 3.38Å; D491-R540 CarbonylContact O-C 3.55Å; D491-R540 WeakPolarHBondContact O-CA 3.22Å; D491-R541 HydrophobicContact CB-CB 4.41Å; D491-R541 HydrophobicContact CB-CG 3.99Å; D491-R541 WeakPolarHBondContact O-CG 3.26Å; D491-R541 PolarHBondContact O-N 3.04Å
492	I	88.7	Confident	90.7	Very high	104 Å²	104	51.6 Å²	51.6	53%	0.533	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-79.5	120.9	176.5	-57.5	177.2	0	0	0	109.5	K494	I492-K494 HydrophobicContact CG2-CG 4.44Å; I492-K494 PolarHBondContact O-N 2.9Å
493	G	86.1	Confident	90.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.			trans	-88	89.1	-174.8	0	0	0	0	0	113.5	D491 N539 R541	D491-G493 PolarHBondContact O-N 3.38Å; G493-N539 PolarHBondContact N-O 3.15Å; G493-N539 PolarHBondContact O-OD1 3.14Å; G493-R541 VanDerWaalsContact CA-CZ 3.49Å
494	K	89.1	Confident	91	Very high	144 Å²	144	52.4 Å²	52.4	63%	0.626	25%	0.25	S	C	*	.			trans	-83.1	-11.8	179.6	-63	-173.4	177.3	-173.5	0	115.5	I492 K558	I492-K494 HydrophobicContact CG2-CG 4.44Å; I492-K494 PolarHBondContact O-N 2.9Å; K494-K558 WeakPolarHBondContact O-CB 3.39Å; K494-K558 PolarHBondContact O-N 3.49Å
495	E	91.2	Very high	91.1	Very high	61 Å²	61	51.3 Å²	51.3	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.8	-163.8	-68.7	165	-171.6	0	0	109.9	Y497 R541 C555 L556	E495-Y497 HydrophobicContact CB-CE1 4.25Å; E495-Y497 WeakPolarHBondContact OE2-CE1 3.35Å; E495-Y497 PolarHBondContact OE2-OH 3.24Å; E495-R541 PolarHBondContact O-NH1 3.43Å; E495-R541 PolarHBondContact O-NH2 2.91Å; E495-C555 VanDerWaalsContact CG-SG 3.58Å; E495-C555 PolarHBondContact OE2-SG 3.41Å; E495-L556 CarbonylContact C-O 3.56Å; E495-L556 VanDerWaalsContact CA-O 3.31Å; E495-L556 WeakPolarHBondContact CA-O 3.32Å
496	M	90.1	Very high	91.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	159	158.1	57.3	178.8	-67.1	0	0	110.7	F460 I498 C523 I529 C555 L556 L561	F460-M496 HydrophobicContact CE2-CE 3.87Å; F460-M496 HydrophobicContact CZ-CE 3.96Å; F460-M496 HydrophobicContact CZ-SD 4.34Å; M496-I498 HydrophobicContact CE-CG1 4.28Å; M496-C523 HydrophobicContact CE-CB 4.17Å; M496-I529 HydrophobicContact CB-CD1 3.67Å; M496-I529 HydrophobicContact CG-CD1 3.56Å; M496-I529 HydrophobicContact SD-CD1 3.59Å; M496-I529 VanDerWaalsContact SD-CD1 3.59Å; M496-C555 WeakPolarHBondContact O-CA 3.26Å; M496-L556 HydrophobicContact CG-CB 4.03Å; M496-L556 HydrophobicContact CG-CD2 4.34Å; M496-L556 PolarHBondContact N-O 3.33Å; M496-L556 PolarHBondContact O-N 2.95Å; M496-L556 HydrophobicContact SD-CD2 4.16Å; M496-L561 HydrophobicContact SD-CD2 4Å
497	Y	92.4	Very high	91	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.7	179.2	-50.5	-76.6	0	0	0	110.7	I486 E495 C523 F524 L553 F554 C555	I486-Y497 HydrophobicContact CG2-CD2 3.81Å; I486-Y497 HydrophobicContact CG2-CE1 4.45Å; I486-Y497 HydrophobicContact CG2-CE2 3.64Å; I486-Y497 HydrophobicContact CG2-CG 4.27Å; E495-Y497 HydrophobicContact CB-CE1 4.25Å; E495-Y497 WeakPolarHBondContact OE2-CE1 3.35Å; E495-Y497 PolarHBondContact OE2-OH 3.24Å; Y497-C523 CarbonylContact O-C 3.52Å; Y497-C523 VanDerWaalsContact O-CA 3.22Å; Y497-C523 WeakPolarHBondContact O-CA 3.39Å; Y497-F524 HydrophobicContact CD2-CD2 4.01Å; Y497-F524 AromaticContact CD2-CE2 3.4Å; Y497-F524 HydrophobicContact CD2-CE2 3.4Å; Y497-F524 AromaticContact CD2-CZ 3.71Å; Y497-F524 HydrophobicContact CD2-CZ 3.71Å; Y497-F524 HydrophobicContact CE2-CE2 4.24Å; Y497-F524 HydrophobicContact CG-CE2 4.12Å; Y497-F524 AromaticContact CG-CZ 3.96Å; Y497-F524 HydrophobicContact CG-CZ 3.96Å; Y497-F524 PolarHBondContact N-O 3.41Å; Y497-F524 PolarHBondContact O-N 3.15Å; Y497-L553 HydrophobicContact CD1-CD1 4.46Å; Y497-L553 HydrophobicContact CG-CD1 4.25Å; Y497-F554 CarbonylContact C-O 3.56Å; Y497-F554 WeakPolarHBondContact CA-O 3.3Å; Y497-C555 HydrophobicContact CD1-CB 3.89Å; Y497-C555 HydrophobicContact CE1-CB 3.88Å
498	I	91.6	Very high	90.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127	172	-63	166.3	0	0	0	107.5	T453 L454 V457 F460 L475 M496 K500 C523 L553 F554	T453-I498 HydrophobicContact CG2-CG2 4.3Å; L454-I498 HydrophobicContact CD1-CD1 3.93Å; L454-I498 HydrophobicContact CG-CD1 4.1Å; V457-I498 HydrophobicContact CG2-CG1 4.41Å; V457-I498 HydrophobicContact CG2-CG2 3.48Å; V457-I498 VanDerWaalsContact CG2-CG2 3.48Å; F460-I498 HydrophobicContact CD2-CD1 4.49Å; F460-I498 HydrophobicContact CE2-CD1 4.01Å; L475-I498 HydrophobicContact CD2-CD1 4.29Å; M496-I498 HydrophobicContact CE-CG1 4.28Å; I498-K500 PolarHBondContact O-N 2.92Å; I498-C523 HydrophobicContact CG1-CB 4.1Å; I498-L553 CarbonylContact O-C 3.6Å; I498-L553 VanDerWaalsContact O-CA 3.3Å; I498-L553 WeakPolarHBondContact O-CA 3.45Å; I498-F554 HydrophobicContact CB-CB 4.35Å; I498-F554 PolarHBondContact N-O 3.13Å; I498-F554 PolarHBondContact O-N 3.39Å
499	I	92.3	Very high	90.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.7	179	-50.2	-178.4	0	0	0	108.9	L504 L518 A520 G521 S522 F524 L553	I499-L504 HydrophobicContact CD1-CD1 3.72Å; I499-L504 HydrophobicContact CD1-CG 3.9Å; I499-L504 HydrophobicContact CG1-CD1 4.1Å; I499-L518 HydrophobicContact CD1-CB 3.51Å; I499-A520 WeakPolarHBondContact O-CA 3.32Å; I499-G521 PolarHBondContact O-N 2.92Å; I499-S522 PolarHBondContact N-O 2.98Å; I499-F524 HydrophobicContact CD1-CE1 4.38Å; I499-F524 HydrophobicContact CG1-CD1 4.34Å; I499-F524 HydrophobicContact CG1-CE1 4.06Å; I499-L553 HydrophobicContact CB-CD2 4.06Å; I499-L553 HydrophobicContact CG1-CD2 3.78Å; I499-L553 HydrophobicContact CG2-CD2 4.05Å
500	K	88.1	Confident	90.4	Very high	64 Å²	64	45.5 Å²	45.5	28%	0.278	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-55.5	170.5	-176.9	-161.7	176.7	-172	0	109.5	I498 A520 D552 F554	I498-K500 PolarHBondContact O-N 2.92Å; K500-A520 VanDerWaalsContact O-CB 3.25Å; K500-A520 WeakPolarHBondContact O-CB 3.27Å; K500-D552 HydrophobicContact CB-CB 4.16Å; K500-D552 WeakPolarHBondContact CB-O 3.34Å; K500-D552 HydrophobicContact CD-CB 4.12Å; K500-D552 PolarHBondContact N-O 3.05Å; K500-D552 IonicContact NZ-OD2 3.8Å; K500-F554 HydrophobicContact CB-CD2 4.06Å; K500-F554 HydrophobicContact CB-CE2 3.78Å; K500-F554 HydrophobicContact CD-CE2 3.8Å; K500-F554 HydrophobicContact CD-CZ 3.77Å; K500-F554 HydrophobicContact CG-CE2 3.76Å; K500-F554 HydrophobicContact CG-CZ 4.25Å
501	E	90.1	Very high	90.1	Very high	86 Å²	86	45.1 Å²	45.1	40%	0.402	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.8	-179.1	-71.4	164.3	-149.5	0	0	110.9	K426 S551 D552	K426-E501 IonicContact NZ-OE2 2.69Å; K426-E501 PolarHBondContact NZ-OE2 3.2Å; K426-E501 VanDerWaalsContact NZ-OE2 3.15Å; E501-S551 WeakPolarHBondContact O-CA 3.35Å; E501-D552 HydrophobicContact CB-CB 4.13Å; E501-D552 PolarHBondContact N-O 3.39Å; E501-D552 PolarHBondContact O-N 3.46Å
502	G	92	Very high	89.7	Confident	30 Å²	30	46.7 Å²	46.7	31%	0.309	24%	0.244	S	C	.	.	S	Bend	trans	98.6	-165.6	177.5	0	0	0	0	0	114.3
503	K	94.7	Very high	89.7	Confident	122 Å²	122	45 Å²	45	53%	0.53	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	125.2	-174.3	-67.9	-176.6	-178.3	176.8	0	109.9	L517 L548 S551	K503-L517 HydrophobicContact CB-CD1 4.32Å; K503-L548 HydrophobicContact CB-CD1 4.44Å; K503-L548 WeakPolarHBondContact O-CB 3.37Å; K503-L548 PolarHBondContact O-N 2.89Å; K503-S551 PolarHBondContact N-OG 3.04Å
504	L	95.6	Very high	89.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	177.1	-45.8	-179.6	0	0	0	110.1	I486 I499 L518 F524 I545 R546 S551 L553	I486-L504 HydrophobicContact CD1-CD1 4.2Å; I486-L504 HydrophobicContact CD1-CD2 3.8Å; I499-L504 HydrophobicContact CD1-CD1 3.72Å; I499-L504 HydrophobicContact CD1-CG 3.9Å; I499-L504 HydrophobicContact CG1-CD1 4.1Å; L504-L518 HydrophobicContact CB-CB 4.31Å; L504-L518 PolarHBondContact N-O 3.43Å; L504-L518 PolarHBondContact O-N 3.1Å; L504-F524 HydrophobicContact CD1-CD1 4.17Å; L504-F524 HydrophobicContact CD1-CE1 3.22Å; L504-F524 HydrophobicContact CD1-CZ 3.45Å; L504-F524 VanDerWaalsContact CD1-CZ 3.45Å; L504-I545 HydrophobicContact CB-CG2 3.95Å; L504-I545 HydrophobicContact CD1-CG2 3.86Å; L504-R546 CarbonylContact C-O 3.23Å; L504-R546 WeakPolarHBondContact CA-O 3.46Å; L504-S551 WeakPolarHBondContact CD2-OG 3.44Å; L504-L553 HydrophobicContact CD1-CD1 4.23Å; L504-L553 HydrophobicContact CD1-CD2 4.12Å
505	A	94.3	Very high	89.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.9	168.8	0	0	0	0	0	110.3	V507 Q514 A516 I545 R546 L548	A505-V507 HydrophobicContact CB-CG2 4.05Å; A505-V507 WeakPolarHBondContact O-CG2 3.31Å; A505-Q514 HydrophobicContact CB-CG 4.12Å; A505-A516 WeakPolarHBondContact CA-O 3.46Å; A505-I545 WeakPolarHBondContact O-CA 3.43Å; A505-R546 PolarHBondContact N-O 3.29Å; A505-R546 PolarHBondContact O-N 3.19Å; A505-L548 HydrophobicContact CB-CD1 4.26Å; A505-L548 HydrophobicContact CB-CD2 3.88Å; A505-L548 HydrophobicContact CB-CG 4.11Å
506	V	93.2	Very high	89.5	Confident	24 Å²	24	50.5 Å²	50.5	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.2	161.2	-174.3	0	0	0	0	106.9	Q514 Y515 A516 L518 A543 N544 I545	V506-Q514 CarbonylContact O-C 3.56Å; V506-Q514 WeakPolarHBondContact O-CA 3.37Å; V506-Y515 PolarHBondContact O-N 3.49Å; V506-A516 HydrophobicContact CB-CB 4.19Å; V506-A516 HydrophobicContact CG2-CB 4.01Å; V506-A516 PolarHBondContact N-O 3.22Å; V506-L518 HydrophobicContact CG2-CD1 3.95Å; V506-L518 HydrophobicContact CG2-CG 4.05Å; V506-A543 HydrophobicContact CG1-CB 3.73Å; V506-N544 WeakPolarHBondContact CA-O 3.26Å; V506-I545 HydrophobicContact CG2-CG1 4.38Å
507	V	92.6	Very high	89.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141	-169	-157.8	0	0	0	0	110.4	A505 G511 T513 N544 R546	A505-V507 HydrophobicContact CB-CG2 4.05Å; A505-V507 WeakPolarHBondContact O-CG2 3.31Å; V507-G511 VanDerWaalsContact CG1-C 3.41Å; V507-T513 WeakPolarHBondContact CA-O 3.42Å; V507-T513 WeakPolarHBondContact CG1-O 3.39Å; V507-N544 PolarHBondContact N-O 2.72Å; V507-N544 WeakPolarHBondContact O-CB 3.5Å; V507-N544 PolarHBondContact O-ND2 3.18Å; V507-N544 VanDerWaalsContact O-ND2 3.13Å; V507-R546 HydrophobicContact CG2-CB 3.84Å
508	A	89	Confident	89.7	Confident	8 Å²	8	55.8 Å²	55.8	7%	0.066	30%	0.296	C	S	.	.			trans	-66.3	172.3	170.2	0	0	0	0	0	111.7	D510 G511 T513 Y515	A508-D510 WeakPolarHBondContact CB-OD1 3.43Å; A508-D510 PolarHBondContact O-N 3.46Å; A508-D510 VanDerWaalsContact O-N 3.12Å; A508-G511 PolarHBondContact O-N 3.45Å; A508-T513 HydrophobicContact CB-CG2 4.36Å; A508-T513 PolarHBondContact N-O 2.94Å; A508-Y515 HydrophobicContact CB-CD2 4.34Å; A508-Y515 HydrophobicContact CB-CE2 3.48Å; A508-Y515 VanDerWaalsContact CB-CE2 3.48Å; A508-Y515 WeakPolarHBondContact CB-OH 3.38Å
509	D	86.1	Confident	89.7	Confident	107 Å²	107	58.9 Å²	58.9	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-7	-177.7	-58.2	-36.1	0	0	0	113	K489 N544	K489-D509 WeakPolarHBondContact CD-OD1 3.45Å; K489-D509 IonicContact NZ-OD1 3.21Å; K489-D509 IonicContact NZ-OD2 2.76Å; K489-D509 PolarHBondContact NZ-OD2 2.94Å; D509-N544 PolarHBondContact OD1-ND2 2.78Å
510	D	84.8	Confident	89.5	Confident	89 Å²	89	61.6 Å²	61.6	48%	0.476	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.4	170.8	69	-1	0	0	0	113.7	A508 V512 T513	A508-D510 WeakPolarHBondContact CB-OD1 3.43Å; A508-D510 PolarHBondContact O-N 3.46Å; A508-D510 VanDerWaalsContact O-N 3.12Å; D510-V512 PolarHBondContact O-N 3.35Å; D510-V512 PolarHBondContact OD1-N 3.5Å; D510-T513 PolarHBondContact OD1-N 2.92Å; D510-T513 VanDerWaalsContact OD2-CB 3.29Å; D510-T513 WeakPolarHBondContact OD2-CB 3.34Å; D510-T513 PolarHBondContact OD2-N 3.37Å; D510-T513 PolarHBondContact OD2-OG1 3.31Å
511	G	79.7	Confident	89.4	Confident	15 Å²	15	59.4 Å²	59.4	16%	0.155	33%	0.333	C	S	.	.	S	Bend	trans	70.9	5.3	-173.4	0	0	0	0	0	115.4	V507 A508 R546	V507-G511 VanDerWaalsContact CG1-C 3.41Å; A508-G511 PolarHBondContact O-N 3.45Å; G511-R546 VanDerWaalsContact O-CZ 3.27Å; G511-R546 PolarHBondContact O-NH1 3.17Å; G511-R546 PolarHBondContact O-NH2 3.19Å
512	V	82.8	Confident	89.3	Confident	109 Å²	109	56.9 Å²	56.9	66%	0.661	33%	0.325	S	S	*	.	S	Bend	trans	-118.6	-49.8	-174.9	-179.4	0	0	0	0	111.3	D510 Q514	D510-V512 PolarHBondContact O-N 3.35Å; D510-V512 PolarHBondContact OD1-N 3.5Å; V512-Q514 PolarHBondContact O-N 3.43Å
513	T	87.1	Confident	89.1	Confident	67 Å²	67	56.2 Å²	56.2	41%	0.411	32%	0.316	S	S	.	.			trans	-71.6	125.9	-176.8	-60.5	0	0	0	0	110.5	V507 A508 D510 Y515	V507-T513 WeakPolarHBondContact CA-O 3.42Å; V507-T513 WeakPolarHBondContact CG1-O 3.39Å; A508-T513 HydrophobicContact CB-CG2 4.36Å; A508-T513 PolarHBondContact N-O 2.94Å; D510-T513 PolarHBondContact OD1-N 2.92Å; D510-T513 VanDerWaalsContact OD2-CB 3.29Å; D510-T513 WeakPolarHBondContact OD2-CB 3.34Å; D510-T513 PolarHBondContact OD2-N 3.37Å; D510-T513 PolarHBondContact OD2-OG1 3.31Å; T513-Y515 HydrophobicContact CG2-CE1 4.29Å
514	Q	88.9	Confident	88.9	Confident	108 Å²	108	50.8 Å²	50.8	51%	0.505	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.4	-178.9	-60.9	179.3	43.7	0	0	110	A505 V506 V512	A505-Q514 HydrophobicContact CB-CG 4.12Å; V506-Q514 CarbonylContact O-C 3.56Å; V506-Q514 WeakPolarHBondContact O-CA 3.37Å; V512-Q514 PolarHBondContact O-N 3.43Å
515	Y	86	Confident	88.5	Confident	169 Å²	169	51.3 Å²	51.3	66%	0.663	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	-34	179.5	-66	-54.4	0	0	0	113.1	V506 A508 T513	V506-Y515 PolarHBondContact O-N 3.49Å; A508-Y515 HydrophobicContact CB-CD2 4.34Å; A508-Y515 HydrophobicContact CB-CE2 3.48Å; A508-Y515 VanDerWaalsContact CB-CE2 3.48Å; A508-Y515 WeakPolarHBondContact CB-OH 3.38Å; T513-Y515 HydrophobicContact CG2-CE1 4.29Å
516	A	88.9	Confident	87.8	Confident	45 Å²	45	52.5 Å²	52.5	37%	0.372	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.2	-179.2	0	0	0	0	0	111.7	A505 V506	A505-A516 WeakPolarHBondContact CA-O 3.46Å; V506-A516 HydrophobicContact CB-CB 4.19Å; V506-A516 HydrophobicContact CG2-CB 4.01Å; V506-A516 PolarHBondContact N-O 3.22Å
517	L	92.8	Very high	87.1	Confident	93 Å²	93	51.9 Å²	51.9	49%	0.487	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.8	169.4	-175	73.2	0	0	0	109	K503 T519 L548	K503-L517 HydrophobicContact CB-CD1 4.32Å; L517-T519 HydrophobicContact CD2-CG2 4.28Å; L517-T519 HydrophobicContact CG-CG2 4.31Å; L517-L548 HydrophobicContact CD1-CD1 3.53Å
518	L	92.2	Very high	86.3	Confident	33 Å²	33	52 Å²	52	17%	0.173	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.3	173.2	-55.3	177.3	0	0	0	109.3	I499 L504 V506 F524 I545	I499-L518 HydrophobicContact CD1-CB 3.51Å; L504-L518 HydrophobicContact CB-CB 4.31Å; L504-L518 PolarHBondContact N-O 3.43Å; L504-L518 PolarHBondContact O-N 3.1Å; V506-L518 HydrophobicContact CG2-CD1 3.95Å; V506-L518 HydrophobicContact CG2-CG 4.05Å; L518-F524 HydrophobicContact CD1-CB 4.24Å; L518-F524 HydrophobicContact CD1-CD1 4.14Å; L518-F524 HydrophobicContact CD1-CG 4.31Å; L518-I545 HydrophobicContact CD1-CD1 4.38Å
519	T	91.9	Very high	85.8	Confident	67 Å²	67	51.7 Å²	51.7	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	169.6	-174.2	58.2	0	0	0	0	110.7	L517 G521 S522	L517-T519 HydrophobicContact CD2-CG2 4.28Å; L517-T519 HydrophobicContact CG-CG2 4.31Å; T519-G521 PolarHBondContact O-N 2.95Å; T519-S522 PolarHBondContact O-N 2.81Å; T519-S522 PolarHBondContact O-OG 3.32Å
520	A	89.3	Confident	85.3	Confident	56 Å²	56	46.8 Å²	46.8	46%	0.463	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	136.1	171.9	0	0	0	0	0	113	I499 K500 S522	I499-A520 WeakPolarHBondContact O-CA 3.32Å; K500-A520 VanDerWaalsContact O-CB 3.25Å; K500-A520 WeakPolarHBondContact O-CB 3.27Å; A520-S522 VanDerWaalsContact C-N 3.35Å
521	G	84.4	Confident	84.8	Confident	19 Å²	19	48.2 Å²	48.2	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-3.5	-175.4	0	0	0	0	0	115.5	V457 I499 T519	V457-G521 WeakPolarHBondContact CA-O 3.36Å; I499-G521 PolarHBondContact O-N 2.92Å; T519-G521 PolarHBondContact O-N 2.95Å
522	S	88.2	Confident	84.6	Confident	33 Å²	33	48 Å²	48	23%	0.231	27%	0.274	C	S	.	.			trans	-95	160.8	163.8	74.2	0	0	0	0	112	I499 T519 A520	I499-S522 PolarHBondContact N-O 2.98Å; T519-S522 PolarHBondContact O-N 2.81Å; T519-S522 PolarHBondContact O-OG 3.32Å; A520-S522 VanDerWaalsContact C-N 3.35Å
523	C	88.9	Confident	83.9	Confident	16 Å²	16	51.7 Å²	51.7	11%	0.108	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.7	176.5	59.2	0	0	0	0	110.2	V457 I459 M496 Y497 I498	V457-C523 HydrophobicContact CG1-CB 3.82Å; V457-C523 WeakPolarHBondContact CG1-SG 3.33Å; I459-C523 VanDerWaalsContact CD1-SG 3.54Å; M496-C523 HydrophobicContact CE-CB 4.17Å; Y497-C523 CarbonylContact O-C 3.52Å; Y497-C523 VanDerWaalsContact O-CA 3.22Å; Y497-C523 WeakPolarHBondContact O-CA 3.39Å; I498-C523 HydrophobicContact CG1-CB 4.1Å
524	F	89.3	Confident	83	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.7	176.1	63.8	-83.6	0	0	0	112.5	I486 Y497 I499 L504 L518 E526 I545 L553	I486-F524 HydrophobicContact CB-CE2 4.37Å; I486-F524 HydrophobicContact CB-CZ 4.33Å; I486-F524 HydrophobicContact CG2-CE2 3.99Å; I486-F524 HydrophobicContact CG2-CZ 3.95Å; Y497-F524 HydrophobicContact CD2-CD2 4.01Å; Y497-F524 AromaticContact CD2-CE2 3.4Å; Y497-F524 HydrophobicContact CD2-CE2 3.4Å; Y497-F524 AromaticContact CD2-CZ 3.71Å; Y497-F524 HydrophobicContact CD2-CZ 3.71Å; Y497-F524 HydrophobicContact CE2-CE2 4.24Å; Y497-F524 HydrophobicContact CG-CE2 4.12Å; Y497-F524 AromaticContact CG-CZ 3.96Å; Y497-F524 HydrophobicContact CG-CZ 3.96Å; Y497-F524 PolarHBondContact N-O 3.41Å; Y497-F524 PolarHBondContact O-N 3.15Å; I499-F524 HydrophobicContact CD1-CE1 4.38Å; I499-F524 HydrophobicContact CG1-CD1 4.34Å; I499-F524 HydrophobicContact CG1-CE1 4.06Å; L504-F524 HydrophobicContact CD1-CD1 4.17Å; L504-F524 HydrophobicContact CD1-CE1 3.22Å; L504-F524 HydrophobicContact CD1-CZ 3.45Å; L504-F524 VanDerWaalsContact CD1-CZ 3.45Å; L518-F524 HydrophobicContact CD1-CB 4.24Å; L518-F524 HydrophobicContact CD1-CD1 4.14Å; L518-F524 HydrophobicContact CD1-CG 4.31Å; F524-E526 WeakPolarHBondContact CA-OE2 3.23Å; F524-I545 HydrophobicContact CB-CD1 4Å; F524-I545 HydrophobicContact CD2-CD1 3.29Å; F524-I545 HydrophobicContact CD2-CG2 4.42Å; F524-I545 HydrophobicContact CE2-CB 4.31Å; F524-I545 HydrophobicContact CE2-CD1 3.84Å; F524-I545 HydrophobicContact CE2-CG2 3.98Å; F524-I545 HydrophobicContact CG-CD1 3.78Å; F524-I545 HydrophobicContact CZ-CG2 4.1Å; F524-L553 HydrophobicContact CE1-CD1 4.13Å; F524-L553 HydrophobicContact CE1-CD2 4.49Å; F524-L553 HydrophobicContact CZ-CD1 3.8Å
525	G	87.3	Confident	82.3	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	25%	0.248	C	C	.	.			trans	97.8	-2.5	-179.6	0	0	0	0	0	114.2	I527 S528 R541	G525-I527 PolarHBondContact O-N 2.71Å; G525-S528 PolarHBondContact O-N 2.84Å; G525-R541 PolarHBondContact O-NH1 2.89Å
526	E	80.6	Confident	81.7	Confident	24 Å²	24	43.1 Å²	43.1	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-52.3	-37.5	174.5	72.2	-78	-136	0	0	112.7	I459 F524 S528 I529 L530	I459-E526 HydrophobicContact CD1-CB 4.31Å; I459-E526 HydrophobicContact CD1-CG 3.91Å; F524-E526 WeakPolarHBondContact CA-OE2 3.23Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.44Å; E526-I529 WeakPolarHBondContact O-CG1 3.3Å; E526-L530 WeakPolarHBondContact O-CD1 3.15Å; E526-L530 VanDerWaalsContact O-CG 3.27Å; E526-L530 WeakPolarHBondContact O-CG 3.36Å; E526-L530 PolarHBondContact O-N 2.82Å
527	I	79.4	Confident	80.8	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.062	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-31.7	-176.5	-52	176.3	0	0	0	112.3	G525 T542 I582 L583	G525-I527 PolarHBondContact O-N 2.71Å; I527-T542 HydrophobicContact CG2-CG2 4.25Å; I527-I582 HydrophobicContact CD1-CB 3.86Å; I527-I582 HydrophobicContact CD1-CD1 4.33Å; I527-I582 HydrophobicContact CD1-CG2 3.5Å; I527-L583 HydrophobicContact CG2-CD1 3.91Å; I527-L583 HydrophobicContact CG2-CD2 3.6Å; I527-L583 HydrophobicContact CG2-CG 3.63Å
528	S	75.8	Confident	80.1	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-83.3	-33.8	-177.6	-52	0	0	0	0	112.5	G525 E526 N539 R540 K558	G525-S528 PolarHBondContact O-N 2.84Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.44Å; S528-N539 PolarHBondContact O-OD1 3.04Å; S528-R540 VanDerWaalsContact OG-C 3.3Å; S528-R540 PolarHBondContact OG-O 2.74Å; S528-K558 PolarHBondContact O-NZ 3.47Å
529	I	78.3	Confident	79.6	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-35.6	-178.6	64.6	-172.5	0	0	0	111.4	M496 E526 N531 K558 L561	M496-I529 HydrophobicContact CB-CD1 3.67Å; M496-I529 HydrophobicContact CG-CD1 3.56Å; M496-I529 HydrophobicContact SD-CD1 3.59Å; M496-I529 VanDerWaalsContact SD-CD1 3.59Å; E526-I529 WeakPolarHBondContact O-CG1 3.3Å; I529-N531 PolarHBondContact O-N 3.19Å; I529-K558 HydrophobicContact CB-CB 4.05Å; I529-K558 HydrophobicContact CB-CD 4.28Å; I529-K558 HydrophobicContact CB-CG 3.92Å; I529-K558 HydrophobicContact CG2-CB 3.86Å; I529-K558 HydrophobicContact CG2-CD 4.44Å; I529-K558 HydrophobicContact CG2-CG 4.23Å; I529-K558 WeakPolarHBondContact O-CE 3.42Å; I529-K558 PolarHBondContact O-NZ 2.95Å; I529-L561 HydrophobicContact CD1-CD2 3.26Å; I529-L561 HydrophobicContact CG1-CD2 3.97Å
530	L	75.1	Confident	79.4	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-73.7	116.3	170.7	-59.7	166.6	0	0	0	109.5	E526 I532 L575 E576	E526-L530 WeakPolarHBondContact O-CD1 3.15Å; E526-L530 VanDerWaalsContact O-CG 3.27Å; E526-L530 WeakPolarHBondContact O-CG 3.36Å; E526-L530 PolarHBondContact O-N 2.82Å; L530-I532 HydrophobicContact CB-CD1 4.07Å; L530-I532 HydrophobicContact CB-CG1 3.88Å; L530-I532 PolarHBondContact O-N 3.28Å; L530-L575 HydrophobicContact CD1-CB 3.95Å; L530-L575 VanDerWaalsContact CD1-O 3.26Å; L530-L575 WeakPolarHBondContact CD1-O 3.38Å; L530-L575 HydrophobicContact CD2-CB 4.14Å; L530-L575 HydrophobicContact CD2-CD2 4.31Å; L530-E576 HydrophobicContact CD2-CG 4.36Å
531	N	73.6	Confident	79.4	Confident	118 Å²	118	42.5 Å²	42.5	63%	0.631	22%	0.218	S	C	*	.			trans	-76.7	59.2	179.4	-74.6	-21	0	0	0	111.8	I529 R533 K558	I529-N531 PolarHBondContact O-N 3.19Å; N531-R533 PolarHBondContact O-N 2.82Å; N531-K558 PolarHBondContact OD1-NZ 2.78Å
532	I	75.6	Confident	79.4	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.062	22%	0.222	C	C	.	.			trans	-64.5	122	-175	-62	170.5	0	0	0	110.2	L530 S535 R580 L583 L589	L530-I532 HydrophobicContact CB-CD1 4.07Å; L530-I532 HydrophobicContact CB-CG1 3.88Å; L530-I532 PolarHBondContact O-N 3.28Å; I532-S535 VanDerWaalsContact O-CB 3.28Å; I532-S535 WeakPolarHBondContact O-CB 3.34Å; I532-S535 PolarHBondContact O-N 2.92Å; I532-R580 HydrophobicContact CG2-CG 3.93Å; I532-L583 HydrophobicContact CB-CD1 4.11Å; I532-L583 HydrophobicContact CD1-CD1 3.94Å; I532-L583 HydrophobicContact CG2-CD1 3.92Å; I532-L589 HydrophobicContact CG2-CD1 4.21Å
533	R	68.4	Low	79.3	Confident	185 Å²	185	43.3 Å²	43.3	70%	0.698	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	144	176	-63.1	-177.4	179.5	-136.1	-3.1	109.9	N531 S535	N531-R533 PolarHBondContact O-N 2.82Å; R533-S535 PolarHBondContact O-N 3.06Å
534	G	68.3	Low	79.4	Confident	20 Å²	20	43.3 Å²	43.3	21%	0.206	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	0.1	-176.2	0	0	0	0	0	115.8	K536 D590	G534-K536 PolarHBondContact O-N 3.12Å; G534-D590 PolarHBondContact O-N 2.89Å
535	S	74.8	Confident	79.7	Confident	19 Å²	19	43.6 Å²	43.6	13%	0.133	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-68.5	114.4	171	176.6	0	0	0	0	111	I532 R533 M537 G538	I532-S535 VanDerWaalsContact O-CB 3.28Å; I532-S535 WeakPolarHBondContact O-CB 3.34Å; I532-S535 PolarHBondContact O-N 2.92Å; R533-S535 PolarHBondContact O-N 3.06Å; S535-M537 PolarHBondContact O-N 3Å; S535-G538 PolarHBondContact O-N 3.4Å; S535-G538 VanDerWaalsContact O-N 3.17Å; S535-G538 PolarHBondContact OG-N 3.33Å; S535-G538 VanDerWaalsContact OG-N 3.14Å
536	K	72.4	Confident	80	Confident	126 Å²	126	45.2 Å²	45.2	55%	0.548	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	-179.8	-66.1	169.5	-168.2	159.4	0	113.8	G534 G587 L588 L589 D590	G534-K536 PolarHBondContact O-N 3.12Å; K536-G587 PolarHBondContact NZ-O 2.97Å; K536-L588 WeakPolarHBondContact CB-O 3.35Å; K536-L588 VanDerWaalsContact CG-O 3.27Å; K536-L588 WeakPolarHBondContact CG-O 3.43Å; K536-L588 PolarHBondContact N-O 3.36Å; K536-L589 WeakPolarHBondContact CE-O 3.48Å; K536-L589 PolarHBondContact NZ-O 3Å; K536-D590 HydrophobicContact CG-CB 4.49Å
537	M	70	Confident	80.7	Confident	49 Å²	49	44.1 Å²	44.1	24%	0.241	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-10.7	-179.8	-69.2	170.5	64.4	0	0	113.3	K489 S535 N539 R540 R541 L588	K489-M537 HydrophobicContact CG-CE 4.47Å; S535-M537 PolarHBondContact O-N 3Å; M537-N539 PolarHBondContact O-N 3.11Å; M537-R540 WeakPolarHBondContact O-CB 3.44Å; M537-R540 PolarHBondContact O-N 2.68Å; M537-R540 VanDerWaalsContact O-N 3.16Å; M537-R541 VanDerWaalsContact CE-O 3.25Å; M537-R541 WeakPolarHBondContact CE-O 3.29Å; M537-L588 HydrophobicContact SD-CD1 3.76Å; M537-L588 HydrophobicContact SD-CD2 3.77Å; M537-L588 HydrophobicContact SD-CG 4.36Å
538	G	78.5	Confident	81.4	Confident	29 Å²	29	47.2 Å²	47.2	30%	0.299	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-129.6	177.2	0	0	0	0	0	113.2	S535 R540	S535-G538 PolarHBondContact O-N 3.4Å; S535-G538 VanDerWaalsContact O-N 3.17Å; S535-G538 PolarHBondContact OG-N 3.33Å; S535-G538 VanDerWaalsContact OG-N 3.14Å; G538-R540 PolarHBondContact O-N 3.06Å
539	N	82.3	Confident	82.2	Confident	60 Å²	60	48.3 Å²	48.3	32%	0.321	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	24.4	-179.7	-164.2	30.5	0	0	0	114.2	G493 S528 M537 K558	G493-N539 PolarHBondContact N-O 3.15Å; G493-N539 PolarHBondContact O-OD1 3.14Å; S528-N539 PolarHBondContact O-OD1 3.04Å; M537-N539 PolarHBondContact O-N 3.11Å; N539-K558 PolarHBondContact OD1-NZ 3.26Å
540	R	86.8	Confident	82.9	Confident	132 Å²	132	51.5 Å²	51.5	50%	0.498	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-106.8	154.3	177	-64.6	-176.6	-179	-88.3	2.4	112.3	G490 D491 S528 M537 G538	G490-R540 WeakPolarHBondContact O-CD 3.43Å; G490-R540 PolarHBondContact O-NH1 3.34Å; D491-R540 CarbonylContact O-C 3.55Å; D491-R540 WeakPolarHBondContact O-CA 3.22Å; S528-R540 VanDerWaalsContact OG-C 3.3Å; S528-R540 PolarHBondContact OG-O 2.74Å; M537-R540 WeakPolarHBondContact O-CB 3.44Å; M537-R540 PolarHBondContact O-N 2.68Å; M537-R540 VanDerWaalsContact O-N 3.16Å; G538-R540 PolarHBondContact O-N 3.06Å
541	R	88.6	Confident	83.8	Confident	10 Å²	10	51.3 Å²	51.3	4%	0.038	26%	0.258	C	S	.	.			trans	-71.6	134.7	177	-65.8	-68.9	-165.7	-148	6.7	110.9	C487 R488 G490 D491 G493 E495 G525 M537	C487-R541 HydrophobicContact CB-CG 3.92Å; R488-R541 VanDerWaalsContact O-CB 3.22Å; R488-R541 WeakPolarHBondContact O-CB 3.44Å; G490-R541 PolarHBondContact N-O 2.97Å; D491-R541 HydrophobicContact CB-CB 4.41Å; D491-R541 HydrophobicContact CB-CG 3.99Å; D491-R541 WeakPolarHBondContact O-CG 3.26Å; D491-R541 PolarHBondContact O-N 3.04Å; G493-R541 VanDerWaalsContact CA-CZ 3.49Å; E495-R541 PolarHBondContact O-NH1 3.43Å; E495-R541 PolarHBondContact O-NH2 2.91Å; G525-R541 PolarHBondContact O-NH1 2.89Å; M537-R541 VanDerWaalsContact CE-O 3.25Å; M537-R541 WeakPolarHBondContact CE-O 3.29Å
542	T	84.7	Confident	84.7	Confident	44 Å²	44	46.3 Å²	46.3	27%	0.27	23%	0.232	S	C	.	.			trans	-83.2	-29.3	-174.9	47.4	0	0	0	0	114.3	I527 L588	I527-T542 HydrophobicContact CG2-CG2 4.25Å; T542-L588 HydrophobicContact CG2-CD1 3.82Å
543	A	87.1	Confident	85.5	Confident	25 Å²	25	45.9 Å²	45.9	21%	0.207	23%	0.23	C	C	.	.	S	Bend	trans	-143.2	164.7	-176.4	0	0	0	0	0	112.7	V506	V506-A543 HydrophobicContact CG1-CB 3.73Å
544	N	91.6	Very high	86.6	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.4	169.5	-43.2	-71.9	0	0	0	109.2	Y485 C487 R488 K489 V506 V507 D509	Y485-N544 HydrophobicContact CD1-CB 4.25Å; Y485-N544 HydrophobicContact CE1-CB 4.12Å; C487-N544 WeakPolarHBondContact O-CA 3.27Å; R488-N544 WeakPolarHBondContact CA-OD1 3.3Å; K489-N544 WeakPolarHBondContact CB-OD1 3.46Å; K489-N544 PolarHBondContact N-OD1 3.21Å; V506-N544 WeakPolarHBondContact CA-O 3.26Å; V507-N544 PolarHBondContact N-O 2.72Å; V507-N544 WeakPolarHBondContact O-CB 3.5Å; V507-N544 PolarHBondContact O-ND2 3.18Å; V507-N544 VanDerWaalsContact O-ND2 3.13Å; D509-N544 PolarHBondContact OD1-ND2 2.78Å
545	I	93.9	Very high	87.7	Confident	13 Å²	13	36.7 Å²	36.7	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.9	179.6	-60.4	177.5	0	0	0	108.7	Y485 I486 C487 L504 A505 V506 L518 F524	Y485-I545 CarbonylContact C-O 3.53Å; Y485-I545 WeakPolarHBondContact CA-O 3.23Å; I486-I545 HydrophobicContact CD1-CG2 4.35Å; I486-I545 PolarHBondContact N-O 2.91Å; C487-I545 PolarHBondContact O-N 3.28Å; L504-I545 HydrophobicContact CB-CG2 3.95Å; L504-I545 HydrophobicContact CD1-CG2 3.86Å; A505-I545 WeakPolarHBondContact O-CA 3.43Å; V506-I545 HydrophobicContact CG2-CG1 4.38Å; L518-I545 HydrophobicContact CD1-CD1 4.38Å; F524-I545 HydrophobicContact CB-CD1 4Å; F524-I545 HydrophobicContact CD2-CD1 3.29Å; F524-I545 HydrophobicContact CD2-CG2 4.42Å; F524-I545 HydrophobicContact CE2-CB 4.31Å; F524-I545 HydrophobicContact CE2-CD1 3.84Å; F524-I545 HydrophobicContact CE2-CG2 3.98Å; F524-I545 HydrophobicContact CG-CD1 3.78Å; F524-I545 HydrophobicContact CZ-CG2 4.1Å
546	R	94.6	Very high	88.5	Confident	46 Å²	46	35.8 Å²	35.8	17%	0.174	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	-173.2	-176.4	175	63.4	-158.6	-4.3	111.5	G483 D484 Y485 L504 A505 V507 G511	G483-R546 WeakPolarHBondContact O-CD 3.32Å; G483-R546 WeakPolarHBondContact O-CG 3.33Å; D484-R546 CarbonylContact O-C 3.32Å; D484-R546 VanDerWaalsContact O-CA 3.27Å; D484-R546 WeakPolarHBondContact O-CA 3.36Å; Y485-R546 HydrophobicContact CD1-CB 3.98Å; Y485-R546 HydrophobicContact CE1-CB 4.03Å; Y485-R546 HydrophobicContact CE1-CG 4.49Å; Y485-R546 HydrophobicContact CG-CB 4.46Å; Y485-R546 PolarHBondContact OH-NH1 3.11Å; Y485-R546 VanDerWaalsContact OH-NH1 3.16Å; L504-R546 CarbonylContact C-O 3.23Å; L504-R546 WeakPolarHBondContact CA-O 3.46Å; A505-R546 PolarHBondContact N-O 3.29Å; A505-R546 PolarHBondContact O-N 3.19Å; V507-R546 HydrophobicContact CG2-CB 3.84Å; G511-R546 VanDerWaalsContact O-CZ 3.27Å; G511-R546 PolarHBondContact O-NH1 3.17Å; G511-R546 PolarHBondContact O-NH2 3.19Å
547	S	95.4	Very high	89.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.6	173.1	-163.8	0	0	0	0	111.3	S481 G483 D484 G549 S551	S481-S547 WeakPolarHBondContact O-CB 3.39Å; G483-S547 WeakPolarHBondContact CA-O 3.43Å; G483-S547 PolarHBondContact N-O 2.88Å; D484-S547 PolarHBondContact O-N 3.46Å; S547-G549 WeakPolarHBondContact CB-O 3.49Å; S547-G549 PolarHBondContact OG-O 3.4Å; S547-S551 WeakPolarHBondContact OG-CB 3.27Å; S547-S551 PolarHBondContact OG-OG 3.13Å
548	L	93.5	Very high	90.3	Very high	77 Å²	77	29.3 Å²	29.3	40%	0.403	16%	0.156	S	C	.	.	S	Bend	trans	-86	-27.7	175.8	-64.1	178.5	0	0	0	112.4	K503 A505 L517	K503-L548 HydrophobicContact CB-CD1 4.44Å; K503-L548 WeakPolarHBondContact O-CB 3.37Å; K503-L548 PolarHBondContact O-N 2.89Å; A505-L548 HydrophobicContact CB-CD1 4.26Å; A505-L548 HydrophobicContact CB-CD2 3.88Å; A505-L548 HydrophobicContact CB-CG 4.11Å; L517-L548 HydrophobicContact CD1-CD1 3.53Å
549	G	93.2	Very high	90.9	Very high	25 Å²	25	34 Å²	34	26%	0.258	17%	0.174	S	C	.	.	S	Bend	trans	-132.4	-156.6	175.2	0	0	0	0	0	110.9	S481 P482 S547	S481-G549 CarbonylContact C-O 3.56Å; P482-G549 VanDerWaalsContact CA-O 3.3Å; P482-G549 WeakPolarHBondContact CA-O 3.21Å; P482-G549 VanDerWaalsContact N-O 3.13Å; S547-G549 WeakPolarHBondContact CB-O 3.49Å; S547-G549 PolarHBondContact OG-O 3.4Å
550	Y	93.3	Very high	91.3	Very high	69 Å²	69	32.5 Å²	32.5	27%	0.271	17%	0.166	S	C	.	.			trans	-72	135.9	157.6	-68.4	-79.8	0	0	0	108.7	K416 Y420 F480 P482	K416-Y550 PolarHBondContact O-OH 3.5Å; Y420-Y550 AromaticContact CD1-CD1 3.66Å; Y420-Y550 HydrophobicContact CD1-CD1 3.66Å; Y420-Y550 HydrophobicContact CD1-CE1 4.04Å; Y420-Y550 AromaticContact CD1-CG 3.98Å; Y420-Y550 HydrophobicContact CD1-CG 3.98Å; Y420-Y550 AromaticContact CD2-CD1 3.92Å; Y420-Y550 HydrophobicContact CD2-CD1 3.92Å; Y420-Y550 AromaticContact CD2-CD2 3.38Å; Y420-Y550 HydrophobicContact CD2-CD2 3.38Å; Y420-Y550 HydrophobicContact CD2-CE1 4.16Å; Y420-Y550 AromaticContact CD2-CE2 3.63Å; Y420-Y550 HydrophobicContact CD2-CE2 3.63Å; Y420-Y550 AromaticContact CD2-CG 3.53Å; Y420-Y550 HydrophobicContact CD2-CG 3.53Å; Y420-Y550 HydrophobicContact CE1-CD1 4Å; Y420-Y550 HydrophobicContact CE1-CG 4Å; Y420-Y550 HydrophobicContact CE2-CD1 4.24Å; Y420-Y550 AromaticContact CE2-CD2 3.61Å; Y420-Y550 HydrophobicContact CE2-CD2 3.61Å; Y420-Y550 HydrophobicContact CE2-CE2 4.33Å; Y420-Y550 AromaticContact CE2-CG 3.55Å; Y420-Y550 HydrophobicContact CE2-CG 3.55Å; Y420-Y550 AromaticContact CG-CD1 3.65Å; Y420-Y550 HydrophobicContact CG-CD1 3.65Å; Y420-Y550 AromaticContact CG-CD2 3.96Å; Y420-Y550 HydrophobicContact CG-CD2 3.96Å; Y420-Y550 AromaticContact CG-CE1 3.7Å; Y420-Y550 HydrophobicContact CG-CE1 3.7Å; Y420-Y550 AromaticContact CG-CE2 3.99Å; Y420-Y550 HydrophobicContact CG-CE2 3.99Å; Y420-Y550 AromaticContact CG-CG 3.78Å; Y420-Y550 HydrophobicContact CG-CG 3.78Å; Y420-Y550 AromaticContact CG-CZ 3.87Å; Y420-Y550 AromaticContact CZ-CG 3.81Å; F480-Y550 VanDerWaalsContact O-CA 3.31Å; F480-Y550 WeakPolarHBondContact O-CA 3.34Å; P482-Y550 HydrophobicContact CG-CD2 4.02Å; P482-Y550 HydrophobicContact CG-CE2 4Å; P482-Y550 HydrophobicContact CG-CG 4.38Å
551	S	93.4	Very high	91.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136	179.1	-56.4	0	0	0	0	110.9	F480 E501 K503 L504 S547	F480-S551 PolarHBondContact N-O 3.16Å; F480-S551 PolarHBondContact O-N 3.43Å; F480-S551 VanDerWaalsContact O-N 3.11Å; E501-S551 WeakPolarHBondContact O-CA 3.35Å; K503-S551 PolarHBondContact N-OG 3.04Å; L504-S551 WeakPolarHBondContact CD2-OG 3.44Å; S547-S551 WeakPolarHBondContact OG-CB 3.27Å; S547-S551 PolarHBondContact OG-OG 3.13Å
552	D	91.8	Very high	91.3	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.07	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	174.7	-72.1	23.1	0	0	0	108.9	K426 K500 E501	K426-D552 WeakPolarHBondContact CE-OD2 3.45Å; K426-D552 IonicContact NZ-OD1 2.71Å; K426-D552 PolarHBondContact NZ-OD1 3.02Å; K426-D552 IonicContact NZ-OD2 2.76Å; K426-D552 PolarHBondContact NZ-OD2 3.06Å; K500-D552 HydrophobicContact CB-CB 4.16Å; K500-D552 WeakPolarHBondContact CB-O 3.34Å; K500-D552 HydrophobicContact CD-CB 4.12Å; K500-D552 PolarHBondContact N-O 3.05Å; K500-D552 IonicContact NZ-OD2 3.8Å; E501-D552 HydrophobicContact CB-CB 4.13Å; E501-D552 PolarHBondContact N-O 3.39Å; E501-D552 PolarHBondContact O-N 3.46Å
553	L	92.6	Very high	91.5	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.9	176.5	-51.8	-173.3	0	0	0	109.6	P477 Q478 F480 I486 Y497 I498 I499 L504 F524	P477-L553 CarbonylContact C-O 3.59Å; Q478-L553 PolarHBondContact N-O 3.2Å; Q478-L553 PolarHBondContact O-N 2.86Å; F480-L553 HydrophobicContact CD2-CD1 3.69Å; F480-L553 HydrophobicContact CD2-CG 4.01Å; F480-L553 HydrophobicContact CE2-CB 4.43Å; F480-L553 HydrophobicContact CE2-CD1 3.69Å; F480-L553 HydrophobicContact CE2-CG 4.22Å; I486-L553 HydrophobicContact CG1-CD1 4.06Å; I486-L553 HydrophobicContact CG2-CD1 4.1Å; Y497-L553 HydrophobicContact CD1-CD1 4.46Å; Y497-L553 HydrophobicContact CG-CD1 4.25Å; I498-L553 CarbonylContact O-C 3.6Å; I498-L553 VanDerWaalsContact O-CA 3.3Å; I498-L553 WeakPolarHBondContact O-CA 3.45Å; I499-L553 HydrophobicContact CB-CD2 4.06Å; I499-L553 HydrophobicContact CG1-CD2 3.78Å; I499-L553 HydrophobicContact CG2-CD2 4.05Å; L504-L553 HydrophobicContact CD1-CD1 4.23Å; L504-L553 HydrophobicContact CD1-CD2 4.12Å; F524-L553 HydrophobicContact CE1-CD1 4.13Å; F524-L553 HydrophobicContact CE1-CD2 4.49Å; F524-L553 HydrophobicContact CZ-CD1 3.8Å
554	F	91.4	Very high	91.5	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.5	159.2	-67.3	-66.2	0	0	0	108.5	H450 T453 L475 P477 Y497 I498 K500	H450-F554 AromaticContact CE1-CE1 3.63Å; H450-F554 AromaticContact CE1-CZ 3.69Å; H450-F554 AromaticContact ND1-CE1 3.49Å; H450-F554 WeakPolarHBondContact ND1-CE1 3.41Å; H450-F554 AromaticContact ND1-CE2 3.98Å; H450-F554 AromaticContact ND1-CZ 3.17Å; H450-F554 WeakPolarHBondContact ND1-CZ 3.31Å; T453-F554 HydrophobicContact CG2-CD2 4.36Å; T453-F554 HydrophobicContact CG2-CE2 4.18Å; L475-F554 HydrophobicContact CB-CB 4.3Å; L475-F554 HydrophobicContact CB-CD1 4.18Å; L475-F554 HydrophobicContact CB-CG 4.44Å; L475-F554 HydrophobicContact CD1-CB 4.39Å; L475-F554 HydrophobicContact CD1-CG 4.26Å; L475-F554 HydrophobicContact CD2-CB 4.21Å; P477-F554 HydrophobicContact CB-CD1 4.31Å; P477-F554 HydrophobicContact CB-CE1 4.17Å; Y497-F554 CarbonylContact C-O 3.56Å; Y497-F554 WeakPolarHBondContact CA-O 3.3Å; I498-F554 HydrophobicContact CB-CB 4.35Å; I498-F554 PolarHBondContact N-O 3.13Å; I498-F554 PolarHBondContact O-N 3.39Å; K500-F554 HydrophobicContact CB-CD2 4.06Å; K500-F554 HydrophobicContact CB-CE2 3.78Å; K500-F554 HydrophobicContact CD-CE2 3.8Å; K500-F554 HydrophobicContact CD-CZ 3.77Å; K500-F554 HydrophobicContact CG-CE2 3.76Å; K500-F554 HydrophobicContact CG-CZ 4.25Å
555	C	91.9	Very high	91.3	Very high	8 Å²	8	30.1 Å²	30.1	5%	0.054	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.8	169.1	179.2	0	0	0	0	109.9	R476 E495 M496 Y497	R476-C555 PolarHBondContact N-O 3.29Å; R476-C555 PolarHBondContact O-N 2.89Å; E495-C555 VanDerWaalsContact CG-SG 3.58Å; E495-C555 PolarHBondContact OE2-SG 3.41Å; M496-C555 WeakPolarHBondContact O-CA 3.26Å; Y497-C555 HydrophobicContact CD1-CB 3.89Å; Y497-C555 HydrophobicContact CE1-CB 3.88Å
556	L	91.1	Very high	90.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128	169.4	178.6	68.1	0	0	0	107.8	L471 K474 L475 E495 M496 D560 L561	L471-L556 HydrophobicContact CD2-CD2 3.98Å; K474-L556 HydrophobicContact CB-CD1 3.82Å; L475-L556 HydrophobicContact CD2-CB 4.22Å; L475-L556 HydrophobicContact CD2-CD1 4.46Å; E495-L556 CarbonylContact C-O 3.56Å; E495-L556 VanDerWaalsContact CA-O 3.31Å; E495-L556 WeakPolarHBondContact CA-O 3.32Å; M496-L556 HydrophobicContact CG-CB 4.03Å; M496-L556 HydrophobicContact CG-CD2 4.34Å; M496-L556 PolarHBondContact N-O 3.33Å; M496-L556 PolarHBondContact O-N 2.95Å; M496-L556 HydrophobicContact SD-CD2 4.16Å; L556-D560 HydrophobicContact CD1-CB 3.66Å; L556-D560 HydrophobicContact CG-CB 4.46Å; L556-L561 HydrophobicContact CD2-CB 3.89Å; L556-L561 HydrophobicContact CD2-CD1 3.81Å; L556-L561 HydrophobicContact CD2-CG 4.35Å; L556-L561 HydrophobicContact CG-CB 4.23Å
557	S	92.2	Very high	90.6	Very high	16 Å²	16	38.3 Å²	38.3	11%	0.112	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	158.5	-179.5	83.2	0	0	0	0	112.1	D559 D560 L561	S557-D559 PolarHBondContact O-N 2.91Å; S557-D560 VanDerWaalsContact CB-OD2 3.22Å; S557-D560 WeakPolarHBondContact CB-OD2 3.23Å; S557-D560 PolarHBondContact N-OD2 3.47Å; S557-D560 PolarHBondContact O-N 3.35Å; S557-D560 WeakPolarHBondContact OG-CB 3.48Å; S557-D560 PolarHBondContact OG-N 2.89Å; S557-D560 VanDerWaalsContact OG-N 3.16Å; S557-D560 PolarHBondContact OG-OD2 3Å; S557-L561 WeakPolarHBondContact O-CB 3.37Å; S557-L561 PolarHBondContact O-N 2.95Å
558	K	88.4	Confident	90.2	Very high	23 Å²	23	40.8 Å²	40.8	10%	0.1	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-39.6	174.7	-179.3	170.9	-176.3	123.4	0	111.5	K494 S528 I529 N531 N539 M562	K494-K558 WeakPolarHBondContact O-CB 3.39Å; K494-K558 PolarHBondContact O-N 3.49Å; S528-K558 PolarHBondContact O-NZ 3.47Å; I529-K558 HydrophobicContact CB-CB 4.05Å; I529-K558 HydrophobicContact CB-CD 4.28Å; I529-K558 HydrophobicContact CB-CG 3.92Å; I529-K558 HydrophobicContact CG2-CB 3.86Å; I529-K558 HydrophobicContact CG2-CD 4.44Å; I529-K558 HydrophobicContact CG2-CG 4.23Å; I529-K558 WeakPolarHBondContact O-CE 3.42Å; I529-K558 PolarHBondContact O-NZ 2.95Å; N531-K558 PolarHBondContact OD1-NZ 2.78Å; N539-K558 PolarHBondContact OD1-NZ 3.26Å; K558-M562 HydrophobicContact CG-CG 4.35Å; K558-M562 WeakPolarHBondContact O-CB 3.28Å; K558-M562 WeakPolarHBondContact O-CG 3.43Å; K558-M562 PolarHBondContact O-N 2.86Å
559	D	90.4	Very high	89.8	Confident	126 Å²	126	40.8 Å²	40.8	67%	0.674	22%	0.215	S	C	*	.	H	α-helix	trans	-74.1	-45.1	-176.5	-51.6	-42	0	0	0	110.3	S557 L561 M562 E563	S557-D559 PolarHBondContact O-N 2.91Å; D559-L561 VanDerWaalsContact C-N 3.33Å; D559-L561 PolarHBondContact O-N 3.33Å; D559-M562 PolarHBondContact O-N 3.24Å; D559-E563 WeakPolarHBondContact O-CB 3.35Å; D559-E563 PolarHBondContact O-N 3.26Å
560	D	91.2	Very high	89.3	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.16	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-44.5	174.4	-65.7	-45.6	0	0	0	112.5	K474 R476 L556 S557 A564	K474-D560 HydrophobicContact CB-CB 3.94Å; K474-D560 HydrophobicContact CD-CB 3.65Å; K474-D560 WeakPolarHBondContact CD-O 3.44Å; K474-D560 HydrophobicContact CG-CB 4.39Å; K474-D560 PolarHBondContact NZ-O 3.29Å; R476-D560 IonicContact CZ-OD2 2.67Å; R476-D560 IonicContact NE-OD2 3.77Å; R476-D560 IonicContact NH2-OD1 3.86Å; R476-D560 IonicContact NH2-OD2 3.94Å; R476-D560 PolarHBondContact NH2-OD2 3.49Å; L556-D560 HydrophobicContact CD1-CB 3.66Å; L556-D560 HydrophobicContact CG-CB 4.46Å; S557-D560 VanDerWaalsContact CB-OD2 3.22Å; S557-D560 WeakPolarHBondContact CB-OD2 3.23Å; S557-D560 PolarHBondContact N-OD2 3.47Å; S557-D560 PolarHBondContact O-N 3.35Å; S557-D560 WeakPolarHBondContact OG-CB 3.48Å; S557-D560 PolarHBondContact OG-N 2.89Å; S557-D560 VanDerWaalsContact OG-N 3.16Å; S557-D560 PolarHBondContact OG-OD2 3Å; D560-A564 PolarHBondContact O-N 2.9Å
561	L	88.1	Confident	88.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-47.4	177.7	178.8	70.4	0	0	0	111.3	L471 M496 I529 L556 S557 D559 E563 A564 V565 L575	L471-L561 HydrophobicContact CD1-CD1 4.4Å; L471-L561 HydrophobicContact CD2-CD1 3.86Å; M496-L561 HydrophobicContact SD-CD2 4Å; I529-L561 HydrophobicContact CD1-CD2 3.26Å; I529-L561 HydrophobicContact CG1-CD2 3.97Å; L556-L561 HydrophobicContact CD2-CB 3.89Å; L556-L561 HydrophobicContact CD2-CD1 3.81Å; L556-L561 HydrophobicContact CD2-CG 4.35Å; L556-L561 HydrophobicContact CG-CB 4.23Å; S557-L561 WeakPolarHBondContact O-CB 3.37Å; S557-L561 PolarHBondContact O-N 2.95Å; D559-L561 VanDerWaalsContact C-N 3.33Å; D559-L561 PolarHBondContact O-N 3.33Å; L561-E563 VanDerWaalsContact C-N 3.28Å; L561-E563 PolarHBondContact O-N 3.45Å; L561-A564 PolarHBondContact O-N 2.78Å; L561-V565 HydrophobicContact CD1-CG2 3.54Å; L561-V565 HydrophobicContact CG-CG2 3.94Å; L561-V565 VanDerWaalsContact O-CB 3.23Å; L561-V565 WeakPolarHBondContact O-CB 3.44Å; L561-V565 VanDerWaalsContact O-CG2 3.27Å; L561-V565 WeakPolarHBondContact O-CG2 3.05Å; L561-V565 PolarHBondContact O-N 3.13Å; L561-L575 HydrophobicContact CD1-CD2 4.24Å; L561-L575 HydrophobicContact CD2-CD2 4.02Å
562	M	86.9	Confident	88.2	Confident	56 Å²	56	46 Å²	46	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-33.1	-175.7	-77.7	-61.6	-45.8	0	0	112.1	K558 D559 T566	K558-M562 HydrophobicContact CG-CG 4.35Å; K558-M562 WeakPolarHBondContact O-CB 3.28Å; K558-M562 WeakPolarHBondContact O-CG 3.43Å; K558-M562 PolarHBondContact O-N 2.86Å; D559-M562 PolarHBondContact O-N 3.24Å; M562-T566 VanDerWaalsContact O-CG2 3.24Å; M562-T566 WeakPolarHBondContact O-CG2 3.49Å; M562-T566 PolarHBondContact O-N 2.93Å; M562-T566 VanDerWaalsContact O-N 3.13Å; M562-T566 PolarHBondContact O-OG1 3.42Å
563	E	89.4	Confident	87.9	Confident	118 Å²	118	48.8 Å²	48.8	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-59.7	-58.6	170	-177	179.2	-126.8	0	0	110.6	K474 D559 L561 V565 T566	K474-E563 IonicContact NZ-OE2 3.33Å; K474-E563 PolarHBondContact NZ-OE2 3.5Å; D559-E563 WeakPolarHBondContact O-CB 3.35Å; D559-E563 PolarHBondContact O-N 3.26Å; L561-E563 VanDerWaalsContact C-N 3.28Å; L561-E563 PolarHBondContact O-N 3.45Å; E563-V565 VanDerWaalsContact C-N 3.32Å; E563-V565 PolarHBondContact O-N 3.11Å; E563-T566 PolarHBondContact O-N 3.26Å; E563-T566 PolarHBondContact O-OG1 2.99Å
564	A	88.3	Confident	87.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-45.1	-179.7	0	0	0	0	0	112.4	L467 E470 L471 D560 L561 T566 E567 Y568	L467-A564 HydrophobicContact CD1-CB 3.75Å; E470-A564 VanDerWaalsContact CD-CB 3.43Å; E470-A564 VanDerWaalsContact OE1-CA 3.32Å; E470-A564 WeakPolarHBondContact OE1-CA 3.33Å; E470-A564 VanDerWaalsContact OE1-CB 3.25Å; E470-A564 WeakPolarHBondContact OE1-CB 3.48Å; E470-A564 VanDerWaalsContact OE2-CA 3.27Å; E470-A564 WeakPolarHBondContact OE2-CA 3.47Å; E470-A564 WeakPolarHBondContact OE2-CB 3.32Å; L471-A564 HydrophobicContact CD2-CB 3.6Å; L471-A564 HydrophobicContact CG-CB 4.44Å; D560-A564 PolarHBondContact O-N 2.9Å; L561-A564 PolarHBondContact O-N 2.78Å; A564-T566 PolarHBondContact O-N 3.37Å; A564-E567 PolarHBondContact O-N 3.35Å; A564-Y568 WeakPolarHBondContact O-CD2 3.42Å; A564-Y568 PolarHBondContact O-N 2.89Å
565	V	85.4	Confident	86.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-75.2	-3.8	-178.5	175.5	0	0	0	0	112.6	L467 L561 E563 K572	L467-V565 HydrophobicContact CD1-CG2 4.35Å; L561-V565 HydrophobicContact CD1-CG2 3.54Å; L561-V565 HydrophobicContact CG-CG2 3.94Å; L561-V565 VanDerWaalsContact O-CB 3.23Å; L561-V565 WeakPolarHBondContact O-CB 3.44Å; L561-V565 VanDerWaalsContact O-CG2 3.27Å; L561-V565 WeakPolarHBondContact O-CG2 3.05Å; L561-V565 PolarHBondContact O-N 3.13Å; E563-V565 VanDerWaalsContact C-N 3.32Å; E563-V565 PolarHBondContact O-N 3.11Å; V565-K572 VanDerWaalsContact CG1-CA 3.5Å; V565-K572 HydrophobicContact CG1-CB 3.32Å; V565-K572 HydrophobicContact CG1-CD 4.12Å; V565-K572 HydrophobicContact CG1-CG 3.51Å
566	T	86.9	Confident	86.4	Confident	96 Å²	96	53.6 Å²	53.6	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-83.9	-23.9	163.8	55.2	0	0	0	0	113.9	M562 E563 A564	M562-T566 VanDerWaalsContact O-CG2 3.24Å; M562-T566 WeakPolarHBondContact O-CG2 3.49Å; M562-T566 PolarHBondContact O-N 2.93Å; M562-T566 VanDerWaalsContact O-N 3.13Å; M562-T566 PolarHBondContact O-OG1 3.42Å; E563-T566 PolarHBondContact O-N 3.26Å; E563-T566 PolarHBondContact O-OG1 2.99Å; A564-T566 PolarHBondContact O-N 3.37Å
567	E	87.4	Confident	86	Confident	136 Å²	136	57.4 Å²	57.4	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-80.3	-32.1	172	-60.6	-163	174.1	0	0	112	A564 P569	A564-E567 PolarHBondContact O-N 3.35Å; E567-P569 WeakPolarHBondContact O-CD 3.41Å
568	Y	86.8	Confident	85.3	Confident	53 Å²	53	61.7 Å²	61.7	21%	0.208	32%	0.316	C	S	.	.			trans	-113.5	78.7	-178.1	-58.1	-91.1	0	0	0	112.3	E464 G466 L467 A564 D570 A571 K572	E464-Y568 HydrophobicContact CB-CD1 4.38Å; G466-Y568 WeakPolarHBondContact CA-OH 3.37Å; L467-Y568 HydrophobicContact CB-CD1 4.07Å; L467-Y568 HydrophobicContact CB-CD2 3.73Å; L467-Y568 HydrophobicContact CB-CE1 4.36Å; L467-Y568 HydrophobicContact CB-CE2 4.07Å; L467-Y568 HydrophobicContact CB-CG 3.75Å; L467-Y568 HydrophobicContact CD1-CD2 3.72Å; L467-Y568 HydrophobicContact CD1-CE2 4.37Å; L467-Y568 HydrophobicContact CD1-CG 4.26Å; L467-Y568 HydrophobicContact CG-CD2 4.26Å; L467-Y568 HydrophobicContact CG-CG 4.43Å; A564-Y568 WeakPolarHBondContact O-CD2 3.42Å; A564-Y568 PolarHBondContact O-N 2.89Å; Y568-D570 VanDerWaalsContact C-N 3.34Å; Y568-D570 PolarHBondContact O-N 2.88Å; Y568-A571 PolarHBondContact O-N 2.86Å; Y568-K572 PolarHBondContact O-N 3.23Å
569	P	84.7	Confident	84.9	Confident	76 Å²	76	60.6 Å²	60.6	49%	0.494	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-29.3	-173.1	26.1	-35.6	0	0	0	114.4	E567 A571 K572 T573	E567-P569 WeakPolarHBondContact O-CD 3.41Å; P569-A571 VanDerWaalsContact C-N 3.32Å; P569-A571 PolarHBondContact O-N 2.86Å; P569-K572 WeakPolarHBondContact O-CA 3.21Å; P569-K572 WeakPolarHBondContact O-CB 3.19Å; P569-K572 PolarHBondContact O-N 2.66Å; P569-K572 VanDerWaalsContact O-N 3.08Å; P569-T573 PolarHBondContact O-N 3.12Å; P569-T573 VanDerWaalsContact O-N 3.16Å
570	D	83.3	Confident	84.4	Confident	129 Å²	129	57.3 Å²	57.3	69%	0.69	29%	0.29	S	S	*	.	H	α-helix	trans	-69.3	-33.1	179	-64	-20.3	0	0	0	111.8	Y568 K572 T573 V574	Y568-D570 VanDerWaalsContact C-N 3.34Å; Y568-D570 PolarHBondContact O-N 2.88Å; D570-K572 VanDerWaalsContact C-N 3.31Å; D570-T573 PolarHBondContact O-N 3.43Å; D570-T573 PolarHBondContact O-OG1 2.95Å; D570-V574 WeakPolarHBondContact O-CG2 3.46Å; D570-V574 PolarHBondContact O-N 3.49Å
571	A	81	Confident	83.9	Confident	7 Å²	7	61.3 Å²	61.3	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-35.1	170.4	0	0	0	0	0	111.3	L467 Y568 P569 T573 V574 L575	L467-A571 HydrophobicContact CD2-CB 3.29Å; Y568-A571 PolarHBondContact O-N 2.86Å; P569-A571 VanDerWaalsContact C-N 3.32Å; P569-A571 PolarHBondContact O-N 2.86Å; A571-T573 PolarHBondContact O-N 3.36Å; A571-V574 PolarHBondContact O-N 2.9Å; A571-L575 WeakPolarHBondContact O-CB 3.29Å; A571-L575 WeakPolarHBondContact O-CD1 3.46Å; A571-L575 PolarHBondContact O-N 3.07Å
572	K	84.1	Confident	83.4	Confident	70 Å²	70	63.1 Å²	63.1	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-46	175.2	-167.4	177.5	172.5	-173.6	0	111.9	V565 Y568 P569 D570 L575 E576	V565-K572 VanDerWaalsContact CG1-CA 3.5Å; V565-K572 HydrophobicContact CG1-CB 3.32Å; V565-K572 HydrophobicContact CG1-CD 4.12Å; V565-K572 HydrophobicContact CG1-CG 3.51Å; Y568-K572 PolarHBondContact O-N 3.23Å; P569-K572 WeakPolarHBondContact O-CA 3.21Å; P569-K572 WeakPolarHBondContact O-CB 3.19Å; P569-K572 PolarHBondContact O-N 2.66Å; P569-K572 VanDerWaalsContact O-N 3.08Å; D570-K572 VanDerWaalsContact C-N 3.31Å; K572-L575 PolarHBondContact O-N 3.17Å; K572-E576 WeakPolarHBondContact CE-OE1 3.41Å; K572-E576 WeakPolarHBondContact O-CB 3.37Å; K572-E576 WeakPolarHBondContact O-CG 3.49Å; K572-E576 PolarHBondContact O-N 2.73Å
573	T	83.6	Confident	83	Confident	70 Å²	70	60.5 Å²	60.5	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-44	179	43.8	0	0	0	0	111.5	P569 D570 A571 L575 E576 D577	P569-T573 PolarHBondContact O-N 3.12Å; P569-T573 VanDerWaalsContact O-N 3.16Å; D570-T573 PolarHBondContact O-N 3.43Å; D570-T573 PolarHBondContact O-OG1 2.95Å; A571-T573 PolarHBondContact O-N 3.36Å; T573-L575 PolarHBondContact O-N 3.26Å; T573-E576 PolarHBondContact O-N 3.32Å; T573-D577 WeakPolarHBondContact O-CB 3.19Å; T573-D577 PolarHBondContact O-N 2.94Å
574	V	82.6	Confident	82.6	Confident	62 Å²	62	60.9 Å²	60.9	38%	0.376	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-44.2	175.5	172.2	0	0	0	0	111.8	D570 A571 R578	D570-V574 WeakPolarHBondContact O-CG2 3.46Å; D570-V574 PolarHBondContact O-N 3.49Å; A571-V574 PolarHBondContact O-N 2.9Å; V574-R578 VanDerWaalsContact O-CB 3.31Å; V574-R578 WeakPolarHBondContact O-CB 3.33Å; V574-R578 PolarHBondContact O-N 3.18Å
575	L	79.4	Confident	82.2	Confident	4 Å²	4	69 Å²	69	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-48.1	175.6	-97.3	77.1	0	0	0	111.9	I459 F460 L530 L561 A571 K572 T573 R578 G579	I459-L575 HydrophobicContact CG2-CD1 3.53Å; I459-L575 HydrophobicContact CG2-CG 3.67Å; F460-L575 HydrophobicContact CE1-CD1 4.16Å; L530-L575 HydrophobicContact CD1-CB 3.95Å; L530-L575 VanDerWaalsContact CD1-O 3.26Å; L530-L575 WeakPolarHBondContact CD1-O 3.38Å; L530-L575 HydrophobicContact CD2-CB 4.14Å; L530-L575 HydrophobicContact CD2-CD2 4.31Å; L561-L575 HydrophobicContact CD1-CD2 4.24Å; L561-L575 HydrophobicContact CD2-CD2 4.02Å; A571-L575 WeakPolarHBondContact O-CB 3.29Å; A571-L575 WeakPolarHBondContact O-CD1 3.46Å; A571-L575 PolarHBondContact O-N 3.07Å; K572-L575 PolarHBondContact O-N 3.17Å; T573-L575 PolarHBondContact O-N 3.26Å; L575-R578 PolarHBondContact O-N 2.64Å; L575-G579 PolarHBondContact O-N 3.42Å
576	E	82.5	Confident	81.6	Confident	50 Å²	50	74.3 Å²	74.3	23%	0.234	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-42.5	179.8	-76.7	-169.3	-161.8	0	0	112.9	L530 K572 T573 G579 R580	L530-E576 HydrophobicContact CD2-CG 4.36Å; K572-E576 WeakPolarHBondContact CE-OE1 3.41Å; K572-E576 WeakPolarHBondContact O-CB 3.37Å; K572-E576 WeakPolarHBondContact O-CG 3.49Å; K572-E576 PolarHBondContact O-N 2.73Å; T573-E576 PolarHBondContact O-N 3.32Å; E576-G579 CarbonylContact O-C 3.59Å; E576-G579 WeakPolarHBondContact O-CA 3.31Å; E576-G579 PolarHBondContact O-N 2.73Å; E576-R580 WeakPolarHBondContact O-CG 3.45Å; E576-R580 PolarHBondContact O-N 3.43Å; E576-R580 IonicContact OE2-CZ 3.42Å; E576-R580 IonicContact OE2-NH1 3.15Å; E576-R580 PolarHBondContact OE2-NH1 3.32Å; E576-R580 IonicContact OE2-NH2 2.75Å
577	D	82.8	Confident	81.1	Confident	81 Å²	81	71.9 Å²	71.9	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.5	-76	-32.3	0	0	0	111.1	T573 G579 R580 E581	T573-D577 WeakPolarHBondContact O-CB 3.19Å; T573-D577 PolarHBondContact O-N 2.94Å; D577-G579 VanDerWaalsContact C-N 3.28Å; D577-G579 PolarHBondContact O-N 2.59Å; D577-R580 WeakPolarHBondContact O-CB 3.14Å; D577-R580 PolarHBondContact O-N 3.02Å; D577-R580 VanDerWaalsContact O-N 3.12Å; D577-R580 IonicContact OD1-CZ 3.05Å; D577-R580 IonicContact OD1-NE 2.7Å; D577-R580 PolarHBondContact OD1-NE 2.9Å; D577-R580 IonicContact OD1-NH2 3.56Å; D577-R580 PolarHBondContact OD1-NH2 3.24Å; D577-R580 IonicContact OD2-NH2 2.77Å; D577-E581 WeakPolarHBondContact O-CG 3.23Å; D577-E581 PolarHBondContact O-N 3.47Å
578	R	78.8	Confident	80.5	Confident	105 Å²	105	67.1 Å²	67.1	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-36.4	173.7	-171.2	53.4	173.2	-172.5	0.5	112.2	I459 V574 L575 E581 I582	I459-R578 HydrophobicContact CD1-CG 4.24Å; I459-R578 HydrophobicContact CG1-CG 4.31Å; V574-R578 VanDerWaalsContact O-CB 3.31Å; V574-R578 WeakPolarHBondContact O-CB 3.33Å; V574-R578 PolarHBondContact O-N 3.18Å; L575-R578 PolarHBondContact O-N 2.64Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE2 3.79Å; R578-E581 IonicContact NE-OE2 3.87Å; R578-E581 IonicContact NH1-OE2 3.35Å; R578-E581 PolarHBondContact NH1-OE2 3.21Å; R578-I582 HydrophobicContact CG-CD1 4.44Å; R578-I582 WeakPolarHBondContact O-CD1 3.34Å; R578-I582 WeakPolarHBondContact O-CG1 3.32Å; R578-I582 PolarHBondContact O-N 3.17Å
579	G	78.4	Confident	80.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-41.4	171	0	0	0	0	0	113.1	L575 E576 D577 I582 L583	L575-G579 PolarHBondContact O-N 3.42Å; E576-G579 CarbonylContact O-C 3.59Å; E576-G579 WeakPolarHBondContact O-CA 3.31Å; E576-G579 PolarHBondContact O-N 2.73Å; D577-G579 VanDerWaalsContact C-N 3.28Å; D577-G579 PolarHBondContact O-N 2.59Å; G579-I582 PolarHBondContact O-N 3.42Å; G579-L583 WeakPolarHBondContact O-CB 3.45Å; G579-L583 WeakPolarHBondContact O-CG 3.4Å; G579-L583 PolarHBondContact O-N 2.95Å
580	R	80.7	Confident	79.5	Confident	57 Å²	57	65 Å²	65	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-44.6	175	-77	-177.5	-85.3	-90.5	2.7	111.6	I532 E576 D577 I582 L583 K584	I532-R580 HydrophobicContact CG2-CG 3.93Å; E576-R580 WeakPolarHBondContact O-CG 3.45Å; E576-R580 PolarHBondContact O-N 3.43Å; E576-R580 IonicContact OE2-CZ 3.42Å; E576-R580 IonicContact OE2-NH1 3.15Å; E576-R580 PolarHBondContact OE2-NH1 3.32Å; E576-R580 IonicContact OE2-NH2 2.75Å; D577-R580 WeakPolarHBondContact O-CB 3.14Å; D577-R580 PolarHBondContact O-N 3.02Å; D577-R580 VanDerWaalsContact O-N 3.12Å; D577-R580 IonicContact OD1-CZ 3.05Å; D577-R580 IonicContact OD1-NE 2.7Å; D577-R580 PolarHBondContact OD1-NE 2.9Å; D577-R580 IonicContact OD1-NH2 3.56Å; D577-R580 PolarHBondContact OD1-NH2 3.24Å; D577-R580 IonicContact OD2-NH2 2.77Å; R580-I582 PolarHBondContact O-N 2.79Å; R580-L583 PolarHBondContact O-N 3.13Å; R580-K584 VanDerWaalsContact O-CB 3.28Å; R580-K584 WeakPolarHBondContact O-CB 3.18Å; R580-K584 PolarHBondContact O-N 2.89Å
581	E	81	Confident	78.7	Confident	114 Å²	114	63.3 Å²	63.3	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-55.7	-48	175.3	-74.2	-173.1	132.7	0	0	112.1	D577 R578 K584 K585	D577-E581 WeakPolarHBondContact O-CG 3.23Å; D577-E581 PolarHBondContact O-N 3.47Å; R578-E581 WeakPolarHBondContact CD-OE2 3.42Å; R578-E581 IonicContact CZ-OE2 3.79Å; R578-E581 IonicContact NE-OE2 3.87Å; R578-E581 IonicContact NH1-OE2 3.35Å; R578-E581 PolarHBondContact NH1-OE2 3.21Å; E581-K584 PolarHBondContact O-N 2.88Å; E581-K585 WeakPolarHBondContact O-CB 3.44Å; E581-K585 PolarHBondContact O-N 3.08Å
582	I	77.6	Confident	77.6	Confident	40 Å²	40	68.6 Å²	68.6	21%	0.205	34%	0.34	C	S	.	.	H	α-helix	trans	-70.8	-44.3	-178	-56.4	161.1	0	0	0	110.3	I527 R578 G579 R580 K584 K585 E586	I527-I582 HydrophobicContact CD1-CB 3.86Å; I527-I582 HydrophobicContact CD1-CD1 4.33Å; I527-I582 HydrophobicContact CD1-CG2 3.5Å; R578-I582 HydrophobicContact CG-CD1 4.44Å; R578-I582 WeakPolarHBondContact O-CD1 3.34Å; R578-I582 WeakPolarHBondContact O-CG1 3.32Å; R578-I582 PolarHBondContact O-N 3.17Å; G579-I582 PolarHBondContact O-N 3.42Å; R580-I582 PolarHBondContact O-N 2.79Å; I582-K584 VanDerWaalsContact C-N 3.26Å; I582-K584 PolarHBondContact O-N 3.03Å; I582-K585 PolarHBondContact O-N 3.16Å; I582-E586 HydrophobicContact CG2-CG 4.28Å; I582-E586 WeakPolarHBondContact O-CG 3.32Å; I582-E586 PolarHBondContact O-N 3.12Å
583	L	78.7	Confident	76.3	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-37.3	174.8	-77.5	170	0	0	0	112.5	I527 I532 G579 R580 G587 L588 L589	I527-L583 HydrophobicContact CG2-CD1 3.91Å; I527-L583 HydrophobicContact CG2-CD2 3.6Å; I527-L583 HydrophobicContact CG2-CG 3.63Å; I532-L583 HydrophobicContact CB-CD1 4.11Å; I532-L583 HydrophobicContact CD1-CD1 3.94Å; I532-L583 HydrophobicContact CG2-CD1 3.92Å; G579-L583 WeakPolarHBondContact O-CB 3.45Å; G579-L583 WeakPolarHBondContact O-CG 3.4Å; G579-L583 PolarHBondContact O-N 2.95Å; R580-L583 PolarHBondContact O-N 3.13Å; L583-G587 PolarHBondContact O-N 3.11Å; L583-L588 HydrophobicContact CD2-CB 3.72Å; L583-L588 PolarHBondContact O-N 3.19Å; L583-L589 HydrophobicContact CB-CB 4.12Å; L583-L589 HydrophobicContact CB-CD1 4.05Å; L583-L589 HydrophobicContact CD1-CD1 3.99Å; L583-L589 PolarHBondContact O-N 2.75Å
584	K	81.4	Confident	74.8	Confident	127 Å²	127	70.1 Å²	70.1	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-69.3	-43.3	175.6	-178.6	160.4	177.9	151.8	0	111.9	R580 E581 I582 E586 G587 E591	R580-K584 VanDerWaalsContact O-CB 3.28Å; R580-K584 WeakPolarHBondContact O-CB 3.18Å; R580-K584 PolarHBondContact O-N 2.89Å; E581-K584 PolarHBondContact O-N 2.88Å; I582-K584 VanDerWaalsContact C-N 3.26Å; I582-K584 PolarHBondContact O-N 3.03Å; K584-E586 VanDerWaalsContact C-N 3.33Å; K584-E586 PolarHBondContact O-N 2.95Å; K584-G587 PolarHBondContact O-N 3.16Å; K584-G587 VanDerWaalsContact O-N 3.14Å; K584-E591 WeakPolarHBondContact CE-OE1 3.35Å; K584-E591 IonicContact NZ-OE1 2.77Å; K584-E591 PolarHBondContact NZ-OE1 3.5Å
585	K	78.6	Confident	73.1	Confident	170 Å²	170	75.3 Å²	75.3	74%	0.739	37%	0.369	S	S	*	.	H	α-helix	trans	-60.2	-40.8	176.3	-171.9	-165.4	171.1	-146.6	0	112.6	E581 I582 G587	E581-K585 WeakPolarHBondContact O-CB 3.44Å; E581-K585 PolarHBondContact O-N 3.08Å; I582-K585 PolarHBondContact O-N 3.16Å; K585-G587 VanDerWaalsContact C-N 3.28Å; K585-G587 PolarHBondContact O-N 3.04Å
586	E	73.8	Confident	71.3	Confident	112 Å²	112	77.9 Å²	77.9	52%	0.523	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	0.6	178.8	-56.7	-60.7	129.2	0	0	113.1	I582 K584 L588	I582-E586 HydrophobicContact CG2-CG 4.28Å; I582-E586 WeakPolarHBondContact O-CG 3.32Å; I582-E586 PolarHBondContact O-N 3.12Å; K584-E586 VanDerWaalsContact C-N 3.33Å; K584-E586 PolarHBondContact O-N 2.95Å; E586-L588 HydrophobicContact CB-CD1 3.97Å; E586-L588 HydrophobicContact CB-CG 3.93Å; E586-L588 PolarHBondContact O-N 2.92Å
587	G	75	Confident	69.2	Low	45 Å²	45	78.7 Å²	78.7	46%	0.464	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	13.4	-177.8	0	0	0	0	0	114.8	K536 L583 K584 K585	K536-G587 PolarHBondContact NZ-O 2.97Å; L583-G587 PolarHBondContact O-N 3.11Å; K584-G587 PolarHBondContact O-N 3.16Å; K584-G587 VanDerWaalsContact O-N 3.14Å; K585-G587 VanDerWaalsContact C-N 3.28Å; K585-G587 PolarHBondContact O-N 3.04Å
588	L	75.7	Confident	67.3	Low	37 Å²	37	82.4 Å²	82.4	19%	0.194	44%	0.437	C	S	.	.			trans	-90.8	-6.5	-174	-62.9	-179.7	0	0	0	114.1	K536 M537 T542 L583 E586	K536-L588 WeakPolarHBondContact CB-O 3.35Å; K536-L588 VanDerWaalsContact CG-O 3.27Å; K536-L588 WeakPolarHBondContact CG-O 3.43Å; K536-L588 PolarHBondContact N-O 3.36Å; M537-L588 HydrophobicContact SD-CD1 3.76Å; M537-L588 HydrophobicContact SD-CD2 3.77Å; M537-L588 HydrophobicContact SD-CG 4.36Å; T542-L588 HydrophobicContact CG2-CD1 3.82Å; L583-L588 HydrophobicContact CD2-CB 3.72Å; L583-L588 PolarHBondContact O-N 3.19Å; E586-L588 HydrophobicContact CB-CD1 3.97Å; E586-L588 HydrophobicContact CB-CG 3.93Å; E586-L588 PolarHBondContact O-N 2.92Å
589	L	77.6	Confident	65.8	Low	20 Å²	20	82.6 Å²	82.6	11%	0.105	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-84.4	145.1	168.5	-154	72.1	0	0	0	111	I532 K536 L583	I532-L589 HydrophobicContact CG2-CD1 4.21Å; K536-L589 WeakPolarHBondContact CE-O 3.48Å; K536-L589 PolarHBondContact NZ-O 3Å; L583-L589 HydrophobicContact CB-CB 4.12Å; L583-L589 HydrophobicContact CB-CD1 4.05Å; L583-L589 HydrophobicContact CD1-CD1 3.99Å; L583-L589 PolarHBondContact O-N 2.75Å
590	D	72.2	Confident	64.4	Low	63 Å²	63	88.6 Å²	88.6	34%	0.337	47%	0.468	S	S	.	.			trans	-106.9	103.5	165	-171.3	-8.6	0	0	0	110.2	G534 K536 N592 A593	G534-D590 PolarHBondContact O-N 2.89Å; K536-D590 HydrophobicContact CG-CB 4.49Å; D590-N592 PolarHBondContact O-N 2.83Å; D590-N592 VanDerWaalsContact O-N 3.14Å; D590-N592 WeakPolarHBondContact OD1-CB 3.17Å; D590-N592 PolarHBondContact OD1-N 2.98Å; D590-N592 PolarHBondContact OD1-ND2 3.27Å; D590-A593 HydrophobicContact CB-CB 4.43Å; D590-A593 WeakPolarHBondContact O-CB 3.42Å; D590-A593 PolarHBondContact O-N 3.08Å; D590-A593 VanDerWaalsContact O-N 3.1Å
591	E	67.4	Low	63	Low	95 Å²	95	93.7 Å²	93.7	44%	0.444	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-8.9	-178	-53.8	-167.4	145.7	0	0	113.7	K584	K584-E591 WeakPolarHBondContact CE-OE1 3.35Å; K584-E591 IonicContact NZ-OE1 2.77Å; K584-E591 PolarHBondContact NZ-OE1 3.5Å
592	N	58.3	Low	61.9	Low	118 Å²	118	91.4 Å²	91.4	63%	0.631	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-24.7	173.7	-53.5	-72.4	0	0	0	111.9	D590 E594 K595 G596	D590-N592 PolarHBondContact O-N 2.83Å; D590-N592 VanDerWaalsContact O-N 3.14Å; D590-N592 WeakPolarHBondContact OD1-CB 3.17Å; D590-N592 PolarHBondContact OD1-N 2.98Å; D590-N592 PolarHBondContact OD1-ND2 3.27Å; N592-E594 PolarHBondContact O-N 3.46Å; N592-K595 PolarHBondContact O-N 3.07Å; N592-G596 PolarHBondContact O-N 3.36Å
593	A	57.2	Low	61	Low	49 Å²	49	91.8 Å²	91.8	41%	0.405	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.9	-178.1	0	0	0	0	0	113.2	D590	D590-A593 HydrophobicContact CB-CB 4.43Å; D590-A593 WeakPolarHBondContact O-CB 3.42Å; D590-A593 PolarHBondContact O-N 3.08Å; D590-A593 VanDerWaalsContact O-N 3.1Å
594	E	51.7	Low	60.5	Low	123 Å²	123	96.1 Å²	96.1	58%	0.575	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-19.1	173.7	-63.3	-174.2	153	0	0	113	N592	N592-E594 PolarHBondContact O-N 3.46Å
595	K	46.1	Very low	60	Low	171 Å²	171	94 Å²	94	74%	0.743	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6	179.4	-67.3	173.4	-176.9	165.3	0	113.3	N592 G597	N592-K595 PolarHBondContact O-N 3.07Å; K595-G597 VanDerWaalsContact C-N 3.35Å; K595-G597 PolarHBondContact O-N 2.61Å
596	G	41.7	Very low	59.7	Low	58 Å²	58	90.8 Å²	90.8	60%	0.598	49%	0.494	S	S	*	.	S	Bend	trans	-69	88.8	166.4	0	0	0	0	0	110.5	N592	N592-G596 PolarHBondContact O-N 3.36Å
597	G	38.7	Very low	60	Low	66 Å²	66	89.7 Å²	89.7	68%	0.68	49%	0.494	S	S	*	.			trans	-63.3	139.5	-177.2	0	0	0	0	0	113.1	K595	K595-G597 VanDerWaalsContact C-N 3.35Å; K595-G597 PolarHBondContact O-N 2.61Å
598	L	41.8	Very low	60.3	Low	159 Å²	159	93.8 Å²	93.8	83%	0.832	50%	0.501	S	S	*	.			trans	50.1	97.2	164.6	-68.8	161.7	0	0	0	116.1	K600	L598-K600 PolarHBondContact O-N 3.2Å
599	Q	48.6	Very low	60.6	Low	109 Å²	109	99 Å²	99	51%	0.509	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	66.5	160.5	-67.4	179.5	-76.1	0	0	111.1	D602 A603	Q599-D602 HydrophobicContact CB-CB 4.46Å; Q599-D602 PolarHBondContact NE2-OD2 3.16Å; Q599-A603 WeakPolarHBondContact O-CB 3.32Å
600	K	49.4	Very low	60.9	Low	126 Å²	126	104 Å²	104	55%	0.548	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-53.1	171	-149.2	176.5	179.6	-81.7	0	109.6	L598 D602 A603 E604	L598-K600 PolarHBondContact O-N 3.2Å; K600-D602 PolarHBondContact O-N 2.95Å; K600-A603 WeakPolarHBondContact O-CB 3.33Å; K600-A603 PolarHBondContact O-N 3.19Å; K600-E604 IonicContact NZ-OE1 3.5Å; K600-E604 PolarHBondContact NZ-OE1 2.85Å; K600-E604 IonicContact NZ-OE2 2.65Å; K600-E604 WeakPolarHBondContact O-CB 3.35Å; K600-E604 WeakPolarHBondContact O-CG 3.28Å; K600-E604 PolarHBondContact O-N 3.36Å
601	E	50.8	Low	61.6	Low	165 Å²	165	106.6 Å²	106.6	77%	0.771	56%	0.555	S	S	*	*	H	α-helix	trans	-57.8	-49.2	175.3	-58.9	177.4	148.8	0	0	112	A603 E604 E605	E601-A603 PolarHBondContact O-N 3.06Å; E601-A603 VanDerWaalsContact O-N 3.17Å; E601-E604 PolarHBondContact O-N 3.43Å; E601-E605 WeakPolarHBondContact O-CB 3.25Å; E601-E605 PolarHBondContact O-N 3.5Å
602	D	57.5	Low	62.7	Low	66 Å²	66	105 Å²	105	35%	0.353	55%	0.554	S	S	.	*	H	α-helix	trans	-70.9	-5.8	177.8	-177.8	53.6	0	0	0	113.3	Q599 K600 K606	Q599-D602 HydrophobicContact CB-CB 4.46Å; Q599-D602 PolarHBondContact NE2-OD2 3.16Å; K600-D602 PolarHBondContact O-N 2.95Å; D602-K606 WeakPolarHBondContact O-CG 3.28Å; D602-K606 PolarHBondContact O-NZ 3.4Å; D602-K606 IonicContact OD1-NZ 3.2Å; D602-K606 PolarHBondContact OD1-NZ 3.1Å; D602-K606 IonicContact OD2-NZ 3.92Å; D602-K606 PolarHBondContact OD2-NZ 3.25Å
603	A	59.2	Low	64	Low	47 Å²	47	102.4 Å²	102.4	39%	0.388	55%	0.545	S	S	.	.	H	α-helix	trans	-97.8	-43.8	168	0	0	0	0	0	111.2	Q599 K600 E601 K606 V607	Q599-A603 WeakPolarHBondContact O-CB 3.32Å; K600-A603 WeakPolarHBondContact O-CB 3.33Å; K600-A603 PolarHBondContact O-N 3.19Å; E601-A603 PolarHBondContact O-N 3.06Å; E601-A603 VanDerWaalsContact O-N 3.17Å; A603-K606 PolarHBondContact O-N 3.41Å; A603-K606 VanDerWaalsContact O-N 3.12Å; A603-V607 WeakPolarHBondContact O-CG2 3.22Å; A603-V607 PolarHBondContact O-N 2.93Å
604	E	67.6	Low	65.7	Low	92 Å²	92	105.1 Å²	105.1	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-61.5	-44.4	177.4	-72.7	164.5	163.5	0	0	110.9	K600 E601 K606 V607 E608	K600-E604 IonicContact NZ-OE1 3.5Å; K600-E604 PolarHBondContact NZ-OE1 2.85Å; K600-E604 IonicContact NZ-OE2 2.65Å; K600-E604 WeakPolarHBondContact O-CB 3.35Å; K600-E604 WeakPolarHBondContact O-CG 3.28Å; K600-E604 PolarHBondContact O-N 3.36Å; E601-E604 PolarHBondContact O-N 3.43Å; E604-K606 VanDerWaalsContact C-N 3.27Å; E604-K606 PolarHBondContact O-N 2.83Å; E604-V607 WeakPolarHBondContact O-CB 3.44Å; E604-V607 PolarHBondContact O-N 2.95Å; E604-E608 PolarHBondContact O-N 3.46Å
605	E	70.9	Confident	67.6	Low	84 Å²	84	103.8 Å²	103.8	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-32.4	174	-158.9	-157.8	177.2	0	0	112.3	E601 R609	E601-E605 WeakPolarHBondContact O-CB 3.25Å; E601-E605 PolarHBondContact O-N 3.5Å; E605-R609 VanDerWaalsContact CD-NH2 3.32Å; E605-R609 WeakPolarHBondContact O-CB 3.35Å; E605-R609 WeakPolarHBondContact O-CD 3.37Å; E605-R609 WeakPolarHBondContact O-CG 3.25Å; E605-R609 PolarHBondContact O-N 3.31Å; E605-R609 IonicContact OE1-CZ 3.21Å; E605-R609 IonicContact OE1-NE 3.61Å; E605-R609 PolarHBondContact OE1-NE 3.48Å; E605-R609 VanDerWaalsContact OE1-NE 3.08Å; E605-R609 IonicContact OE1-NH2 2.61Å; E605-R609 PolarHBondContact OE1-NH2 2.91Å; E605-R609 IonicContact OE2-CZ 3.54Å; E605-R609 IonicContact OE2-NE 2.77Å; E605-R609 IonicContact OE2-NH2 3.39Å; E605-R609 PolarHBondContact OE2-NH2 2.97Å
606	K	72.2	Confident	69.7	Low	102 Å²	102	99.4 Å²	99.4	44%	0.443	54%	0.537	S	S	.	.	H	α-helix	trans	-74.6	-30	175.5	-69.6	-171	-170.3	82.6	0	112.2	D602 A603 E604 L610	D602-K606 WeakPolarHBondContact O-CG 3.28Å; D602-K606 PolarHBondContact O-NZ 3.4Å; D602-K606 IonicContact OD1-NZ 3.2Å; D602-K606 PolarHBondContact OD1-NZ 3.1Å; D602-K606 IonicContact OD2-NZ 3.92Å; D602-K606 PolarHBondContact OD2-NZ 3.25Å; A603-K606 PolarHBondContact O-N 3.41Å; A603-K606 VanDerWaalsContact O-N 3.12Å; E604-K606 VanDerWaalsContact C-N 3.27Å; E604-K606 PolarHBondContact O-N 2.83Å; K606-L610 WeakPolarHBondContact O-CB 3.4Å; K606-L610 PolarHBondContact O-N 3.22Å
607	V	79.4	Confident	72	Confident	88 Å²	88	101.2 Å²	101.2	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-69.1	-49	171.3	172.1	0	0	0	0	110.1	A603 E604 R609 L610 E611	A603-V607 WeakPolarHBondContact O-CG2 3.22Å; A603-V607 PolarHBondContact O-N 2.93Å; E604-V607 WeakPolarHBondContact O-CB 3.44Å; E604-V607 PolarHBondContact O-N 2.95Å; V607-R609 VanDerWaalsContact C-N 3.31Å; V607-R609 PolarHBondContact O-N 3.19Å; V607-L610 CarbonylContact O-C 3.6Å; V607-L610 WeakPolarHBondContact O-CA 3.4Å; V607-L610 WeakPolarHBondContact O-CB 3.25Å; V607-L610 PolarHBondContact O-N 3.18Å; V607-E611 WeakPolarHBondContact O-CB 3.42Å; V607-E611 PolarHBondContact O-N 3.45Å
608	E	82.4	Confident	74.5	Confident	131 Å²	131	104 Å²	104	61%	0.612	53%	0.528	S	S	*	.	H	α-helix	trans	-58.5	-40	175.8	-69.8	-173.7	148.2	0	0	112.6	E604 L610 E611 S612	E604-E608 PolarHBondContact O-N 3.46Å; E608-L610 VanDerWaalsContact C-N 3.34Å; E608-E611 PolarHBondContact O-N 2.93Å; E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 3.4Å; E608-S612 PolarHBondContact O-OG 3.34Å
609	R	82.4	Confident	76.9	Confident	147 Å²	147	101.1 Å²	101.1	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-30.7	174.2	-73	172.3	-178.6	-161.2	7.2	112.9	E605 V607 S612 S613	E605-R609 VanDerWaalsContact CD-NH2 3.32Å; E605-R609 WeakPolarHBondContact O-CB 3.35Å; E605-R609 WeakPolarHBondContact O-CD 3.37Å; E605-R609 WeakPolarHBondContact O-CG 3.25Å; E605-R609 PolarHBondContact O-N 3.31Å; E605-R609 IonicContact OE1-CZ 3.21Å; E605-R609 IonicContact OE1-NE 3.61Å; E605-R609 PolarHBondContact OE1-NE 3.48Å; E605-R609 VanDerWaalsContact OE1-NE 3.08Å; E605-R609 IonicContact OE1-NH2 2.61Å; E605-R609 PolarHBondContact OE1-NH2 2.91Å; E605-R609 IonicContact OE2-CZ 3.54Å; E605-R609 IonicContact OE2-NE 2.77Å; E605-R609 IonicContact OE2-NH2 3.39Å; E605-R609 PolarHBondContact OE2-NH2 2.97Å; V607-R609 VanDerWaalsContact C-N 3.31Å; V607-R609 PolarHBondContact O-N 3.19Å; R609-S612 WeakPolarHBondContact CA-OG 3.49Å; R609-S612 PolarHBondContact O-OG 3.35Å; R609-S613 VanDerWaalsContact O-CB 3.27Å; R609-S613 WeakPolarHBondContact O-CB 3.13Å; R609-S613 PolarHBondContact O-N 2.83Å; R609-S613 PolarHBondContact O-OG 3.29Å
610	L	83	Confident	79	Confident	124 Å²	124	104.3 Å²	104.3	65%	0.649	52%	0.524	S	S	*	.	H	α-helix	trans	-75.2	-40.5	173	-89.8	164.3	0	0	0	111.8	K606 V607 E608 S613 L614	K606-L610 WeakPolarHBondContact O-CB 3.4Å; K606-L610 PolarHBondContact O-N 3.22Å; V607-L610 CarbonylContact O-C 3.6Å; V607-L610 WeakPolarHBondContact O-CA 3.4Å; V607-L610 WeakPolarHBondContact O-CB 3.25Å; V607-L610 PolarHBondContact O-N 3.18Å; E608-L610 VanDerWaalsContact C-N 3.34Å; L610-S613 CarbonylContact O-C 3.56Å; L610-S613 WeakPolarHBondContact O-CB 3.36Å; L610-S613 PolarHBondContact O-N 3.5Å; L610-L614 WeakPolarHBondContact O-CB 3.46Å; L610-L614 PolarHBondContact O-N 3.15Å
611	E	88.3	Confident	80.9	Confident	118 Å²	118	104.8 Å²	104.8	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-47.9	179.4	-169.2	163.1	-148.1	0	0	111.2	V607 E608 S613 L614 D615	V607-E611 WeakPolarHBondContact O-CB 3.42Å; V607-E611 PolarHBondContact O-N 3.45Å; E608-E611 PolarHBondContact O-N 2.93Å; E611-S613 VanDerWaalsContact C-N 3.28Å; E611-S613 PolarHBondContact O-N 2.94Å; E611-L614 CarbonylContact O-C 3.6Å; E611-L614 WeakPolarHBondContact O-CA 3.45Å; E611-L614 WeakPolarHBondContact O-CB 3.49Å; E611-L614 PolarHBondContact O-N 3.04Å; E611-D615 PolarHBondContact O-N 2.76Å
612	S	89.3	Confident	82.8	Confident	62 Å²	62	99.9 Å²	99.9	43%	0.434	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-29	171.4	54.6	0	0	0	0	113.7	E608 R609 T616	E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 3.4Å; E608-S612 PolarHBondContact O-OG 3.34Å; R609-S612 WeakPolarHBondContact CA-OG 3.49Å; R609-S612 PolarHBondContact O-OG 3.35Å; S612-T616 WeakPolarHBondContact O-CG2 3.33Å; S612-T616 PolarHBondContact O-N 3.06Å; S612-T616 VanDerWaalsContact O-N 3.16Å; S612-T616 PolarHBondContact O-OG1 3.01Å
613	S	86.9	Confident	84.4	Confident	64 Å²	64	104.6 Å²	104.6	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-71.2	-33.1	170.2	-64.5	0	0	0	0	112.4	R609 L610 E611 T616 L617	R609-S613 VanDerWaalsContact O-CB 3.27Å; R609-S613 WeakPolarHBondContact O-CB 3.13Å; R609-S613 PolarHBondContact O-N 2.83Å; R609-S613 PolarHBondContact O-OG 3.29Å; L610-S613 CarbonylContact O-C 3.56Å; L610-S613 WeakPolarHBondContact O-CB 3.36Å; L610-S613 PolarHBondContact O-N 3.5Å; E611-S613 VanDerWaalsContact C-N 3.28Å; E611-S613 PolarHBondContact O-N 2.94Å; S613-T616 PolarHBondContact O-OG1 3.34Å; S613-L617 WeakPolarHBondContact O-CB 3.49Å; S613-L617 PolarHBondContact O-N 3.17Å; S613-L617 VanDerWaalsContact O-N 3.15Å
614	L	91.4	Very high	86	Confident	105 Å²	105	107.3 Å²	107.3	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-71.3	-46.8	175.4	-175	65.3	0	0	0	110.9	L610 E611 T616 L617 Q618	L610-L614 WeakPolarHBondContact O-CB 3.46Å; L610-L614 PolarHBondContact O-N 3.15Å; E611-L614 CarbonylContact O-C 3.6Å; E611-L614 WeakPolarHBondContact O-CA 3.45Å; E611-L614 WeakPolarHBondContact O-CB 3.49Å; E611-L614 PolarHBondContact O-N 3.04Å; L614-T616 VanDerWaalsContact C-N 3.34Å; L614-T616 PolarHBondContact O-N 3.05Å; L614-L617 CarbonylContact O-C 3.59Å; L614-L617 WeakPolarHBondContact O-CA 3.39Å; L614-L617 WeakPolarHBondContact O-CB 3.31Å; L614-L617 PolarHBondContact O-N 3.27Å; L614-L617 VanDerWaalsContact O-N 3.09Å; L614-Q618 WeakPolarHBondContact O-CB 3.49Å; L614-Q618 PolarHBondContact O-N 3.48Å
615	D	91.5	Very high	87.2	Confident	96 Å²	96	108.3 Å²	108.3	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-57.5	-44.2	175.5	-90.6	-16.8	0	0	0	112.3	E611 L617 Q618 T619	E611-D615 PolarHBondContact O-N 2.76Å; D615-L617 VanDerWaalsContact C-N 3.31Å; D615-L617 PolarHBondContact O-N 3.22Å; D615-Q618 PolarHBondContact O-N 2.72Å; D615-T619 VanDerWaalsContact O-CB 3.3Å; D615-T619 WeakPolarHBondContact O-CB 3.49Å; D615-T619 PolarHBondContact O-N 2.93Å; D615-T619 PolarHBondContact O-OG1 3.49Å
616	T	90.8	Very high	88.2	Confident	79 Å²	79	108.4 Å²	108.4	49%	0.485	55%	0.548	S	S	.	.	H	α-helix	trans	-70	-28.4	177.5	51.8	0	0	0	0	112.6	S612 S613 L614 R620	S612-T616 WeakPolarHBondContact O-CG2 3.33Å; S612-T616 PolarHBondContact O-N 3.06Å; S612-T616 VanDerWaalsContact O-N 3.16Å; S612-T616 PolarHBondContact O-OG1 3.01Å; S613-T616 PolarHBondContact O-OG1 3.34Å; L614-T616 VanDerWaalsContact C-N 3.34Å; L614-T616 PolarHBondContact O-N 3.05Å; T616-R620 WeakPolarHBondContact O-CD 3.42Å; T616-R620 VanDerWaalsContact O-CG 3.22Å; T616-R620 WeakPolarHBondContact O-CG 3.48Å; T616-R620 PolarHBondContact O-N 2.92Å
617	L	89.7	Confident	89.1	Confident	95 Å²	95	107.4 Å²	107.4	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-70.2	-46.3	168.8	-106.7	164.9	0	0	0	112.2	S613 L614 D615 T619 R620 F621	S613-L617 WeakPolarHBondContact O-CB 3.49Å; S613-L617 PolarHBondContact O-N 3.17Å; S613-L617 VanDerWaalsContact O-N 3.15Å; L614-L617 CarbonylContact O-C 3.59Å; L614-L617 WeakPolarHBondContact O-CA 3.39Å; L614-L617 WeakPolarHBondContact O-CB 3.31Å; L614-L617 PolarHBondContact O-N 3.27Å; L614-L617 VanDerWaalsContact O-N 3.09Å; D615-L617 VanDerWaalsContact C-N 3.31Å; D615-L617 PolarHBondContact O-N 3.22Å; L617-T619 PolarHBondContact O-N 3.48Å; L617-R620 WeakPolarHBondContact O-CB 3.36Å; L617-R620 PolarHBondContact O-N 2.92Å; L617-F621 HydrophobicContact CD2-CD2 4.38Å; L617-F621 HydrophobicContact CD2-CE2 4.44Å; L617-F621 PolarHBondContact O-N 3.19Å
618	Q	92.1	Very high	89.7	Confident	126 Å²	126	110.1 Å²	110.1	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-64.7	-39.5	-179.7	-173.7	161.9	-41.2	0	0	111.4	L614 D615 F621 A622	L614-Q618 WeakPolarHBondContact O-CB 3.49Å; L614-Q618 PolarHBondContact O-N 3.48Å; D615-Q618 PolarHBondContact O-N 2.72Å; Q618-F621 PolarHBondContact O-N 3.04Å; Q618-A622 WeakPolarHBondContact O-CB 3.44Å; Q618-A622 PolarHBondContact O-N 2.86Å
619	T	91.6	Very high	90.2	Very high	97 Å²	97	107 Å²	107	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-42.1	172.2	-57	0	0	0	0	111.7	D615 L617 R623	D615-T619 VanDerWaalsContact O-CB 3.3Å; D615-T619 WeakPolarHBondContact O-CB 3.49Å; D615-T619 PolarHBondContact O-N 2.93Å; D615-T619 PolarHBondContact O-OG1 3.49Å; L617-T619 PolarHBondContact O-N 3.48Å; T619-R623 PolarHBondContact O-N 2.98Å; T619-R623 VanDerWaalsContact O-N 3.09Å
620	R	91.6	Very high	90.6	Very high	177 Å²	177	103 Å²	103	67%	0.668	53%	0.526	S	S	*	.	H	α-helix	trans	-65.9	-39.2	174.2	-74.3	170.9	-175.1	-166.8	4.6	112.1	T616 L617 R623 L624	T616-R620 WeakPolarHBondContact O-CD 3.42Å; T616-R620 VanDerWaalsContact O-CG 3.22Å; T616-R620 WeakPolarHBondContact O-CG 3.48Å; T616-R620 PolarHBondContact O-N 2.92Å; L617-R620 WeakPolarHBondContact O-CB 3.36Å; L617-R620 PolarHBondContact O-N 2.92Å; R620-R623 PolarHBondContact O-N 2.86Å; R620-L624 WeakPolarHBondContact O-CB 3.36Å; R620-L624 WeakPolarHBondContact O-CG 3.35Å; R620-L624 PolarHBondContact O-N 3.27Å
621	F	90.1	Very high	91.1	Very high	135 Å²	135	100.4 Å²	100.4	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-46.9	175.2	-106.1	-77.8	0	0	0	111.9	L617 Q618 R623 L624 L625	L617-F621 HydrophobicContact CD2-CD2 4.38Å; L617-F621 HydrophobicContact CD2-CE2 4.44Å; L617-F621 PolarHBondContact O-N 3.19Å; Q618-F621 PolarHBondContact O-N 3.04Å; F621-R623 VanDerWaalsContact C-N 3.29Å; F621-R623 PolarHBondContact O-N 3.34Å; F621-L624 PolarHBondContact O-N 2.93Å; F621-L625 WeakPolarHBondContact O-CB 3.49Å; F621-L625 PolarHBondContact O-N 3.5Å
622	A	90.4	Very high	91.3	Very high	62 Å²	62	98.1 Å²	98.1	51%	0.512	51%	0.505	S	S	.	.	H	α-helix	trans	-59.3	-39.5	176.6	0	0	0	0	0	112.3	Q618 L625 T626	Q618-A622 WeakPolarHBondContact O-CB 3.44Å; Q618-A622 PolarHBondContact O-N 2.86Å; A622-L625 PolarHBondContact O-N 3.33Å; A622-T626 PolarHBondContact O-N 3.28Å; A622-T626 PolarHBondContact O-OG1 3.11Å
623	R	92.1	Very high	91.3	Very high	165 Å²	165	101.1 Å²	101.1	62%	0.623	51%	0.512	S	S	*	.	H	α-helix	trans	-65.7	-47.4	173.5	-179.4	177.7	165.9	161.2	2.1	112.7	T619 R620 F621 L625 T626 E627	T619-R623 PolarHBondContact O-N 2.98Å; T619-R623 VanDerWaalsContact O-N 3.09Å; R620-R623 PolarHBondContact O-N 2.86Å; F621-R623 VanDerWaalsContact C-N 3.29Å; F621-R623 PolarHBondContact O-N 3.34Å; R623-L625 VanDerWaalsContact C-N 3.26Å; R623-L625 PolarHBondContact O-N 2.93Å; R623-T626 WeakPolarHBondContact CA-OG1 3.47Å; R623-T626 PolarHBondContact O-N 2.67Å; R623-T626 PolarHBondContact O-OG1 3.19Å; R623-E627 IonicContact CZ-OE1 3.18Å; R623-E627 IonicContact NE-OE1 2.94Å; R623-E627 PolarHBondContact NE-OE1 2.94Å; R623-E627 IonicContact NH2-OE1 2.65Å; R623-E627 PolarHBondContact NH2-OE1 3.24Å; R623-E627 WeakPolarHBondContact O-CG 3.45Å; R623-E627 PolarHBondContact O-N 3.38Å
624	L	91.9	Very high	91.5	Very high	104 Å²	104	104.7 Å²	104.7	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-35.9	176.3	-79.7	167.3	0	0	0	111.8	R620 F621 Y628	R620-L624 WeakPolarHBondContact O-CB 3.36Å; R620-L624 WeakPolarHBondContact O-CG 3.35Å; R620-L624 PolarHBondContact O-N 3.27Å; F621-L624 PolarHBondContact O-N 2.93Å; L624-Y628 VanDerWaalsContact O-CB 3.26Å; L624-Y628 WeakPolarHBondContact O-CB 3.45Å; L624-Y628 PolarHBondContact O-N 2.97Å
625	L	92.3	Very high	91.5	Very high	114 Å²	114	104.3 Å²	104.3	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-66.5	-39.9	176.2	-149.6	107.3	0	0	0	111.5	F621 A622 R623 Y628 T629	F621-L625 WeakPolarHBondContact O-CB 3.49Å; F621-L625 PolarHBondContact O-N 3.5Å; A622-L625 PolarHBondContact O-N 3.33Å; R623-L625 VanDerWaalsContact C-N 3.26Å; R623-L625 PolarHBondContact O-N 2.93Å; L625-Y628 PolarHBondContact O-N 3.42Å; L625-T629 WeakPolarHBondContact O-CG2 3.3Å; L625-T629 PolarHBondContact O-N 2.88Å; L625-T629 PolarHBondContact O-OG1 2.95Å
626	T	91.8	Very high	91.4	Very high	86 Å²	86	106.2 Å²	106.2	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-46.3	175.5	25.9	0	0	0	0	112	A622 R623 Y628 T629 D630	A622-T626 PolarHBondContact O-N 3.28Å; A622-T626 PolarHBondContact O-OG1 3.11Å; R623-T626 WeakPolarHBondContact CA-OG1 3.47Å; R623-T626 PolarHBondContact O-N 2.67Å; R623-T626 PolarHBondContact O-OG1 3.19Å; T626-Y628 VanDerWaalsContact C-N 3.27Å; T626-Y628 PolarHBondContact O-N 3.06Å; T626-T629 WeakPolarHBondContact CA-OG1 3.36Å; T626-T629 PolarHBondContact O-N 3.12Å; T626-T629 VanDerWaalsContact O-N 3.12Å; T626-T629 PolarHBondContact O-OG1 3.03Å; T626-D630 WeakPolarHBondContact O-CB 3.43Å; T626-D630 PolarHBondContact O-N 3.23Å
627	E	92.4	Very high	91.3	Very high	81 Å²	81	108.4 Å²	108.4	38%	0.379	52%	0.522	S	S	.	.	H	α-helix	trans	-59	-36.6	173.6	-70.8	177	-176.4	0	0	111.9	R623 T631	R623-E627 IonicContact CZ-OE1 3.18Å; R623-E627 IonicContact NE-OE1 2.94Å; R623-E627 PolarHBondContact NE-OE1 2.94Å; R623-E627 IonicContact NH2-OE1 2.65Å; R623-E627 PolarHBondContact NH2-OE1 3.24Å; R623-E627 WeakPolarHBondContact O-CG 3.45Å; R623-E627 PolarHBondContact O-N 3.38Å; E627-T631 WeakPolarHBondContact O-CB 3.26Å; E627-T631 WeakPolarHBondContact O-CG2 3.31Å; E627-T631 PolarHBondContact O-N 2.69Å; E627-T631 PolarHBondContact O-OG1 2.85Å
628	Y	92.3	Very high	91.3	Very high	145 Å²	145	112.6 Å²	112.6	57%	0.569	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-44.3	171.9	-177.8	-99.4	0	0	0	112.7	L624 L625 T626 T631 Q632	L624-Y628 VanDerWaalsContact O-CB 3.26Å; L624-Y628 WeakPolarHBondContact O-CB 3.45Å; L624-Y628 PolarHBondContact O-N 2.97Å; L625-Y628 PolarHBondContact O-N 3.42Å; T626-Y628 VanDerWaalsContact C-N 3.27Å; T626-Y628 PolarHBondContact O-N 3.06Å; Y628-T631 WeakPolarHBondContact CA-OG1 3.29Å; Y628-T631 PolarHBondContact O-N 3.19Å; Y628-T631 PolarHBondContact O-OG1 2.82Å; Y628-Q632 HydrophobicContact CD1-CG 4.17Å; Y628-Q632 HydrophobicContact CE1-CG 3.76Å; Y628-Q632 HydrophobicContact CE2-CG 4.24Å; Y628-Q632 WeakPolarHBondContact O-CB 3.46Å; Y628-Q632 VanDerWaalsContact O-CG 3.28Å; Y628-Q632 WeakPolarHBondContact O-CG 3.29Å; Y628-Q632 PolarHBondContact O-N 3.25Å
629	T	91.6	Very high	91.1	Very high	66 Å²	66	110.4 Å²	110.4	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-37.5	177.9	53.6	0	0	0	0	113.3	L625 T626 Q632 Q633	L625-T629 WeakPolarHBondContact O-CG2 3.3Å; L625-T629 PolarHBondContact O-N 2.88Å; L625-T629 PolarHBondContact O-OG1 2.95Å; T626-T629 WeakPolarHBondContact CA-OG1 3.36Å; T626-T629 PolarHBondContact O-N 3.12Å; T626-T629 VanDerWaalsContact O-N 3.12Å; T626-T629 PolarHBondContact O-OG1 3.03Å; T629-Q632 PolarHBondContact O-N 2.92Å; T629-Q633 WeakPolarHBondContact O-CG 3.32Å; T629-Q633 PolarHBondContact O-N 3.33Å
630	D	92	Very high	91	Very high	61 Å²	61	109.9 Å²	109.9	33%	0.326	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-47.4	175.4	173.4	34.4	0	0	0	111	T626 Q632 Q633 R634	T626-D630 WeakPolarHBondContact O-CB 3.43Å; T626-D630 PolarHBondContact O-N 3.23Å; D630-Q632 VanDerWaalsContact C-N 3.33Å; D630-Q632 PolarHBondContact O-N 3.09Å; D630-Q633 PolarHBondContact O-N 3.22Å; D630-R634 VanDerWaalsContact CG-NE 3.33Å; D630-R634 VanDerWaalsContact CG-NH2 3.28Å; D630-R634 WeakPolarHBondContact O-CG 3.21Å; D630-R634 PolarHBondContact O-N 2.7Å; D630-R634 IonicContact OD1-CZ 3.32Å; D630-R634 IonicContact OD1-NE 2.73Å; D630-R634 PolarHBondContact OD1-NE 3Å; D630-R634 IonicContact OD1-NH2 3.13Å; D630-R634 PolarHBondContact OD1-NH2 2.95Å; D630-R634 VanDerWaalsContact OD1-NH2 3.13Å; D630-R634 IonicContact OD2-CZ 3.15Å; D630-R634 IonicContact OD2-NE 3.31Å; D630-R634 PolarHBondContact OD2-NE 3.36Å; D630-R634 IonicContact OD2-NH2 2.63Å; D630-R634 PolarHBondContact OD2-NH2 3.26Å
631	T	91.9	Very high	90.7	Very high	70 Å²	70	106.9 Å²	106.9	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-37.9	174.7	49.6	0	0	0	0	112.7	E627 Y628 R634 L635	E627-T631 WeakPolarHBondContact O-CB 3.26Å; E627-T631 WeakPolarHBondContact O-CG2 3.31Å; E627-T631 PolarHBondContact O-N 2.69Å; E627-T631 PolarHBondContact O-OG1 2.85Å; Y628-T631 WeakPolarHBondContact CA-OG1 3.29Å; Y628-T631 PolarHBondContact O-N 3.19Å; Y628-T631 PolarHBondContact O-OG1 2.82Å; T631-R634 PolarHBondContact O-N 2.66Å; T631-L635 WeakPolarHBondContact O-CB 3.46Å; T631-L635 PolarHBondContact O-N 3.11Å
632	Q	92.8	Very high	90.4	Very high	71 Å²	71	106.2 Å²	106.2	33%	0.332	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-42.5	171.6	-77.8	-67.5	-42.2	0	0	113	Y628 T629 D630 L635 K636	Y628-Q632 HydrophobicContact CD1-CG 4.17Å; Y628-Q632 HydrophobicContact CE1-CG 3.76Å; Y628-Q632 HydrophobicContact CE2-CG 4.24Å; Y628-Q632 WeakPolarHBondContact O-CB 3.46Å; Y628-Q632 VanDerWaalsContact O-CG 3.28Å; Y628-Q632 WeakPolarHBondContact O-CG 3.29Å; Y628-Q632 PolarHBondContact O-N 3.25Å; T629-Q632 PolarHBondContact O-N 2.92Å; D630-Q632 VanDerWaalsContact C-N 3.33Å; D630-Q632 PolarHBondContact O-N 3.09Å; Q632-L635 PolarHBondContact O-N 3.49Å; Q632-K636 WeakPolarHBondContact O-CG 3.46Å; Q632-K636 PolarHBondContact O-N 3.42Å
633	Q	90.2	Very high	90	Very high	124 Å²	124	108.1 Å²	108.1	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-64.1	-44.1	176	-77.6	-176.7	-2.7	0	0	111.8	T629 D630 L635 K636 Q637	T629-Q633 WeakPolarHBondContact O-CG 3.32Å; T629-Q633 PolarHBondContact O-N 3.33Å; D630-Q633 PolarHBondContact O-N 3.22Å; Q633-L635 PolarHBondContact O-N 2.83Å; Q633-L635 VanDerWaalsContact C-N 3.32Å; Q633-K636 PolarHBondContact O-N 2.64Å; Q633-Q637 WeakPolarHBondContact O-CG 3.44Å; Q633-Q637 PolarHBondContact O-N 3.31Å
634	R	90.8	Very high	89.4	Confident	140 Å²	140	108.6 Å²	108.6	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-37.8	175.2	-67.2	174.7	-165.2	-161.8	4.2	112.4	D630 T631 R638	D630-R634 VanDerWaalsContact CG-NE 3.33Å; D630-R634 VanDerWaalsContact CG-NH2 3.28Å; D630-R634 WeakPolarHBondContact O-CG 3.21Å; D630-R634 PolarHBondContact O-N 2.7Å; D630-R634 IonicContact OD1-CZ 3.32Å; D630-R634 IonicContact OD1-NE 2.73Å; D630-R634 PolarHBondContact OD1-NE 3Å; D630-R634 IonicContact OD1-NH2 3.13Å; D630-R634 PolarHBondContact OD1-NH2 2.95Å; D630-R634 VanDerWaalsContact OD1-NH2 3.13Å; D630-R634 IonicContact OD2-CZ 3.15Å; D630-R634 IonicContact OD2-NE 3.31Å; D630-R634 PolarHBondContact OD2-NE 3.36Å; D630-R634 IonicContact OD2-NH2 2.63Å; D630-R634 PolarHBondContact OD2-NH2 3.26Å; T631-R634 PolarHBondContact O-N 2.66Å; R634-R638 WeakPolarHBondContact O-CG 3.49Å; R634-R638 PolarHBondContact O-N 2.96Å
635	L	90.6	Very high	88.7	Confident	97 Å²	97	109.9 Å²	109.9	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-47.4	174.2	-111.6	138.9	0	0	0	111.4	T631 Q632 Q633 Q637 R638 I639	T631-L635 WeakPolarHBondContact O-CB 3.46Å; T631-L635 PolarHBondContact O-N 3.11Å; Q632-L635 PolarHBondContact O-N 3.49Å; Q633-L635 PolarHBondContact O-N 2.83Å; Q633-L635 VanDerWaalsContact C-N 3.32Å; L635-Q637 PolarHBondContact O-N 2.9Å; L635-R638 PolarHBondContact O-N 2.97Å; L635-I639 HydrophobicContact CD2-CD1 4.34Å; L635-I639 WeakPolarHBondContact O-CG1 3.27Å; L635-I639 PolarHBondContact O-N 2.96Å
636	K	90.3	Very high	87.7	Confident	136 Å²	136	109.5 Å²	109.5	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-60.1	-44.9	175.5	-73.1	-178.3	178	-174	0	112.2	Q632 Q633 R638 I639 T640	Q632-K636 WeakPolarHBondContact O-CG 3.46Å; Q632-K636 PolarHBondContact O-N 3.42Å; Q633-K636 PolarHBondContact O-N 2.64Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 2.97Å; K636-I639 PolarHBondContact O-N 2.94Å; K636-T640 PolarHBondContact O-N 2.89Å; K636-T640 PolarHBondContact O-OG1 2.8Å
637	Q	89.8	Confident	86.6	Confident	124 Å²	124	110.5 Å²	110.5	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-58.9	-41.2	175.1	-73.6	172.2	-4.8	0	0	112.4	Q633 L635 L641	Q633-Q637 WeakPolarHBondContact O-CG 3.44Å; Q633-Q637 PolarHBondContact O-N 3.31Å; L635-Q637 PolarHBondContact O-N 2.9Å; Q637-L641 WeakPolarHBondContact O-CB 3.48Å; Q637-L641 WeakPolarHBondContact O-CG 3.47Å; Q637-L641 PolarHBondContact O-N 3.22Å
638	R	88.8	Confident	85.2	Confident	184 Å²	184	112.4 Å²	112.4	69%	0.694	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-40.6	174.6	-77.8	179.6	171.8	-165.8	-3.4	112.7	R634 L635 K636 L641 L642	R634-R638 WeakPolarHBondContact O-CG 3.49Å; R634-R638 PolarHBondContact O-N 2.96Å; L635-R638 PolarHBondContact O-N 2.97Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 2.97Å; R638-L641 PolarHBondContact O-N 2.72Å; R638-L642 WeakPolarHBondContact O-CG 3.31Å; R638-L642 PolarHBondContact O-N 3.28Å; R638-L642 WeakPolarHBondContact O-CB 3.39Å
639	I	87.2	Confident	83.7	Confident	79 Å²	79	109.6 Å²	109.6	41%	0.405	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-49.4	175.8	-69	163.8	0	0	0	109.8	L635 K636 L641 L642 E643	L635-I639 HydrophobicContact CD2-CD1 4.34Å; L635-I639 WeakPolarHBondContact O-CG1 3.27Å; L635-I639 PolarHBondContact O-N 2.96Å; K636-I639 PolarHBondContact O-N 2.94Å; I639-L641 VanDerWaalsContact C-N 3.3Å; I639-L641 PolarHBondContact O-N 3.21Å; I639-L642 CarbonylContact O-C 3.59Å; I639-L642 WeakPolarHBondContact O-CA 3.15Å; I639-L642 WeakPolarHBondContact O-CB 3.35Å; I639-L642 PolarHBondContact O-N 2.71Å; I639-E643 HydrophobicContact CG2-CG 4.2Å; I639-E643 PolarHBondContact O-N 2.76Å; I639-E643 WeakPolarHBondContact O-CG 3.23Å
640	T	89.2	Confident	82	Confident	86 Å²	86	111.3 Å²	111.3	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-30	178.4	-56	0	0	0	0	113.7	K636 E643 R644	K636-T640 PolarHBondContact O-N 2.89Å; K636-T640 PolarHBondContact O-OG1 2.8Å; T640-E643 WeakPolarHBondContact CA-OE2 3.41Å; T640-R644 VanDerWaalsContact O-CB 3.29Å; T640-R644 WeakPolarHBondContact O-CB 3.48Å; T640-R644 PolarHBondContact O-N 2.8Å
641	L	86.8	Confident	79.9	Confident	115 Å²	115	114.3 Å²	114.3	60%	0.602	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-40	169.2	-77.3	170.1	0	0	0	112.2	Q637 R638 I639 R644 H645	Q637-L641 WeakPolarHBondContact O-CB 3.48Å; Q637-L641 WeakPolarHBondContact O-CG 3.47Å; Q637-L641 PolarHBondContact O-N 3.22Å; R638-L641 PolarHBondContact O-N 2.72Å; I639-L641 VanDerWaalsContact C-N 3.3Å; I639-L641 PolarHBondContact O-N 3.21Å; L641-R644 PolarHBondContact O-N 3.2Å; L641-H645 PolarHBondContact O-N 3.44Å
642	L	82.3	Confident	78	Confident	121 Å²	121	113.8 Å²	113.8	63%	0.634	57%	0.569	S	S	*	*	H	α-helix	trans	-67.2	-45.6	175.6	-77.2	163.9	0	0	0	111.9	R638 I639 R644 H645 L646	R638-L642 WeakPolarHBondContact O-CG 3.31Å; R638-L642 PolarHBondContact O-N 3.28Å; R638-L642 WeakPolarHBondContact O-CB 3.39Å; I639-L642 CarbonylContact O-C 3.59Å; I639-L642 WeakPolarHBondContact O-CA 3.15Å; I639-L642 WeakPolarHBondContact O-CB 3.35Å; I639-L642 PolarHBondContact O-N 2.71Å; L642-R644 PolarHBondContact O-N 2.99Å; L642-R644 VanDerWaalsContact C-N 3.3Å; L642-H645 CarbonylContact O-C 3.56Å; L642-H645 WeakPolarHBondContact O-CB 3.31Å; L642-H645 PolarHBondContact O-N 3.04Å; L642-H645 VanDerWaalsContact O-N 3.12Å; L642-L646 WeakPolarHBondContact O-CB 3.34Å; L642-L646 PolarHBondContact O-N 2.68Å
643	E	82.9	Confident	75.7	Confident	102 Å²	102	114 Å²	114	48%	0.477	58%	0.583	S	S	.	*	H	α-helix	trans	-56.1	-44.2	173.2	-70.5	168.3	156.3	0	0	111.1	I639 T640 H645 L646 N647	I639-E643 HydrophobicContact CG2-CG 4.2Å; I639-E643 PolarHBondContact O-N 2.76Å; I639-E643 WeakPolarHBondContact O-CG 3.23Å; T640-E643 WeakPolarHBondContact CA-OE2 3.41Å; E643-H645 PolarHBondContact O-N 2.97Å; E643-L646 PolarHBondContact O-N 2.96Å; E643-N647 WeakPolarHBondContact O-CB 3.42Å; E643-N647 VanDerWaalsContact O-CG 3.29Å; E643-N647 PolarHBondContact O-N 3.19Å; E643-N647 PolarHBondContact O-OD1 3.05Å
644	R	78.9	Confident	73.3	Confident	174 Å²	174	117.5 Å²	117.5	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-65.3	-37.5	176.2	-173.9	174.3	-177.9	134.2	2.8	112.6	T640 L641 L642 Q648	T640-R644 VanDerWaalsContact O-CB 3.29Å; T640-R644 WeakPolarHBondContact O-CB 3.48Å; T640-R644 PolarHBondContact O-N 2.8Å; L641-R644 PolarHBondContact O-N 3.2Å; L642-R644 PolarHBondContact O-N 2.99Å; L642-R644 VanDerWaalsContact C-N 3.3Å; R644-Q648 WeakPolarHBondContact O-CG 3.2Å; R644-Q648 PolarHBondContact O-N 3.49Å
645	H	77.4	Confident	71	Confident	131 Å²	131	114.4 Å²	114.4	61%	0.606	60%	0.604	S	S	*	*	H	α-helix	trans	-67.6	-41	173.8	-121.2	-88.8	0	0	0	111.6	L641 L642 E643 Q648 T649	L641-H645 PolarHBondContact O-N 3.44Å; L642-H645 CarbonylContact O-C 3.56Å; L642-H645 WeakPolarHBondContact O-CB 3.31Å; L642-H645 PolarHBondContact O-N 3.04Å; L642-H645 VanDerWaalsContact O-N 3.12Å; E643-H645 PolarHBondContact O-N 2.97Å; H645-Q648 VanDerWaalsContact O-N 3.13Å; H645-Q648 WeakPolarHBondContact O-CB 3.39Å; H645-Q648 PolarHBondContact O-N 3.42Å; H645-T649 PolarHBondContact O-N 2.97Å; H645-T649 PolarHBondContact O-OG1 3.03Å
646	L	71.4	Confident	68.3	Low	107 Å²	107	117.7 Å²	117.7	56%	0.56	62%	0.621	S	S	*	*	H	α-helix	trans	-64.1	-47.1	-179.6	-151.5	105.1	0	0	0	110.9	L642 E643 Q648 T649 D650	L642-L646 WeakPolarHBondContact O-CB 3.34Å; L642-L646 PolarHBondContact O-N 2.68Å; E643-L646 PolarHBondContact O-N 2.96Å; L646-Q648 PolarHBondContact O-N 2.67Å; L646-T649 WeakPolarHBondContact CA-OG1 3.39Å; L646-T649 PolarHBondContact O-N 3.03Å; L646-T649 PolarHBondContact O-OG1 3.06Å; L646-D650 PolarHBondContact O-N 3.29Å
647	N	68.1	Low	65.6	Low	107 Å²	107	118.7 Å²	118.7	57%	0.572	63%	0.633	S	S	*	*	H	α-helix	trans	-62.9	-24.6	174.4	-68.9	-0.9	0	0	0	112.8	E643 C651	E643-N647 WeakPolarHBondContact O-CB 3.42Å; E643-N647 VanDerWaalsContact O-CG 3.29Å; E643-N647 PolarHBondContact O-N 3.19Å; E643-N647 PolarHBondContact O-OD1 3.05Å; N647-C651 PolarHBondContact O-N 3.01Å; N647-C651 WeakPolarHBondContact O-CB 3.16Å
648	Q	65.1	Low	62.9	Low	120 Å²	120	120.1 Å²	120.1	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-78.3	-29.6	172.6	-77.2	179	-41.5	0	0	112.6	R644 H645 L646	R644-Q648 WeakPolarHBondContact O-CG 3.2Å; R644-Q648 PolarHBondContact O-N 3.49Å; H645-Q648 VanDerWaalsContact O-N 3.13Å; H645-Q648 WeakPolarHBondContact O-CB 3.39Å; H645-Q648 PolarHBondContact O-N 3.42Å; L646-Q648 PolarHBondContact O-N 2.67Å
649	T	60.1	Low	60.4	Low	87 Å²	87	117.5 Å²	117.5	53%	0.534	65%	0.65	S	S	.	*	H	α-helix	trans	-76	-39.5	170.9	33.1	0	0	0	0	113.4	H645 L646 C651 G652 A653	H645-T649 PolarHBondContact O-N 2.97Å; H645-T649 PolarHBondContact O-OG1 3.03Å; L646-T649 WeakPolarHBondContact CA-OG1 3.39Å; L646-T649 PolarHBondContact O-N 3.03Å; L646-T649 PolarHBondContact O-OG1 3.06Å; T649-C651 VanDerWaalsContact C-N 3.32Å; T649-C651 PolarHBondContact O-N 3.11Å; T649-G652 CarbonylContact O-C 3.55Å; T649-G652 WeakPolarHBondContact O-CA 3.47Å; T649-G652 PolarHBondContact O-N 2.74Å; T649-A653 PolarHBondContact O-N 3.01Å
650	D	55.1	Low	57.9	Low	102 Å²	102	121.4 Å²	121.4	55%	0.545	67%	0.671	S	S	.	*	H	α-helix	trans	-61.8	-41.9	176.2	-79.7	-18.1	0	0	0	111.2	L646 G652 A653	L646-D650 PolarHBondContact O-N 3.29Å; D650-G652 PolarHBondContact O-N 3.29Å; D650-A653 PolarHBondContact O-N 3.41Å; D650-A653 VanDerWaalsContact O-N 3.15Å
651	C	49.3	Very low	55.2	Low	123 Å²	123	122.1 Å²	122.1	83%	0.831	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-0.2	174.1	-133.6	0	0	0	0	114.1	N647 T649	N647-C651 PolarHBondContact O-N 3.01Å; N647-C651 WeakPolarHBondContact O-CB 3.16Å; T649-C651 VanDerWaalsContact C-N 3.32Å; T649-C651 PolarHBondContact O-N 3.11Å
652	G	50.7	Low	52.6	Low	60 Å²	60	121.9 Å²	121.9	62%	0.619	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	0.7	175	0	0	0	0	0	114.5	T649 D650	T649-G652 CarbonylContact O-C 3.55Å; T649-G652 WeakPolarHBondContact O-CA 3.47Å; T649-G652 PolarHBondContact O-N 2.74Å; D650-G652 PolarHBondContact O-N 3.29Å
653	A	44.4	Very low	50.2	Low	76 Å²	76	121.4 Å²	121.4	63%	0.628	70%	0.696	S	S	*	*	S	Bend	trans	-106.5	-4.2	-170	0	0	0	0	0	115.3	T649 D650	T649-A653 PolarHBondContact O-N 3.01Å; D650-A653 PolarHBondContact O-N 3.41Å; D650-A653 VanDerWaalsContact O-N 3.15Å
654	E	39.3	Very low	47.8	Very low	196 Å²	196	124.2 Å²	124.2	92%	0.916	71%	0.709	S	S	*	*	S	Bend	trans	-91.5	14.1	178.6	-65.8	-163.7	132.6	0	0	114.4
655	A	42.6	Very low	45.5	Very low	76 Å²	76	123.8 Å²	123.8	63%	0.628	72%	0.717	S	S	*	*	S	Bend	trans	-117.4	114.3	177.6	0	0	0	0	0	111.7
656	N	35.8	Very low	43.4	Very low	165 Å²	165	121.9 Å²	121.9	88%	0.882	72%	0.724	S	S	*	*			trans	89	60.3	178.5	-51.4	-23.2	0	0	0	117.3
657	N	33.6	Very low	41.3	Very low	157 Å²	157	123 Å²	123	84%	0.84	74%	0.74	S	S	*	*			trans	-91.7	122.7	138.4	-93.7	-30	0	0	0	108
658	D	32.9	Very low	39.5	Very low	154 Å²	154	121.1 Å²	121.1	82%	0.824	75%	0.746	S	S	*	*			trans	172.1	94.3	147.5	-95.8	-14.9	0	0	0	111
659	T	35.6	Very low	37.9	Very low	130 Å²	130	121.2 Å²	121.2	80%	0.798	76%	0.76	S	S	*	*				171.5	135.4	112.5	29.7	0	0	0	0	113.3
660	D	34.4	Very low	36.6	Very low	160 Å²	160	120.4 Å²	120.4	86%	0.856	77%	0.769	S	S	*	*			trans	43.9	118.7	148.2	-59.4	-9.9	0	0	0	122.2
661	A	33.3	Very low	36.3	Very low	101 Å²	101	122 Å²	122	84%	0.835	79%	0.785	S	S	*	*			trans	-88.4	156.1	159.4	0	0	0	0	0	111.6
662	S	31.2	Very low	35.5	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	78%	0.784	S	S	*	*			trans	-168.3	162.2	135.5	68.7	0	0	0	0	114.5
663	T	32.8	Very low	34.5	Very low	112 Å²	112	120.3 Å²	120.3	69%	0.687	79%	0.788	S	S	*	*			trans	81.2	83.5	146.5	-44.1	0	0	0	0	121
664	Q	31.6	Very low	33.9	Very low	160 Å²	160	127.3 Å²	127.3	75%	0.748	81%	0.805	S	S	*	*				58.8	124.7	119.9	-67.8	-176.7	-11.4	0	0	124.4
665	M	31	Very low	33.5	Very low	166 Å²	166	121.6 Å²	121.6	82%	0.818	80%	0.798	S	S	*	*				66.5	105.9	128	-61.4	-159.4	-164.5	0	0	123.8
666	A	32.3	Very low	33	Very low	91 Å²	91	121.8 Å²	121.8	75%	0.752	81%	0.807	S	S	*	*				90.1	150.2	110	0	0	0	0	0	123.6
667	S	29.3	Very low	32.8	Very low	130 Å²	130	120 Å²	120	91%	0.909	80%	0.803	S	S	*	*			trans	87.6	152.7	161.7	79.7	0	0	0	0	119.9
668	G	29.9	Very low	32.8	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	81%	0.805	S	S	*	*			trans	94.2	111.6	-173.2	0	0	0	0	0	112.6
669	S	31	Very low	32.6	Very low	123 Å²	123	116.2 Å²	116.2	86%	0.86	80%	0.798	S	S	*	*			cis	68.5	122.3	44.7	85.2	0	0	0	0	114.8
670	G	33.3	Very low	32.3	Very low	70 Å²	70	115.9 Å²	115.9	72%	0.722	80%	0.801	S	S	*	*			trans	-75.8	-161.2	171.7	0	0	0	0	0	113.3
671	P	48.4	Very low	33.1	Very low	136 Å²	136	113.4 Å²	113.4	88%	0.883	79%	0.794	S	S	*	*			cis	-140.8	-174.5	21.2	43.7	-26.1	0	0	0	116.4
672	G	31.4	Very low	33.1	Very low	77 Å²	77	117.1 Å²	117.1	79%	0.794	79%	0.794	S	S	*	*			trans	108.5	117.7	131.3	0	0	0	0	0	121.6
673	G	30.7	Very low	33.2	Very low	69 Å²	69	121 Å²	121	71%	0.711	80%	0.8	S	S	*	*				93.5	126	118.1	0	0	0	0	0	121.7
674	F	31.6	Very low	33.2	Very low	224 Å²	224	121.7 Å²	121.7	98%	0.982	80%	0.8	S	S	*	*			trans	62.3	153.4	163.2	-66	-96.5	0	0	0	117.5
675	G	30.7	Very low	33.3	Very low	75 Å²	75	121.1 Å²	121.1	77%	0.773	80%	0.801	S	S	*	*			cis	153.6	135.9	-9	0	0	0	0	0	112.3
676	G	31.4	Very low	33.3	Very low	80 Å²	80	118.5 Å²	118.5	83%	0.825	80%	0.795	S	S	*	*			trans	155.9	155.8	175.4	0	0	0	0	0	115
677	T	33.3	Very low	33.3	Very low	129 Å²	129	122.5 Å²	122.5	79%	0.791	80%	0.798	S	S	*	*			trans	-130.7	167.2	-174.5	54.9	0	0	0	0	113.2
678	N	31.8	Very low	33.4	Very low	163 Å²	163	121.1 Å²	121.1	87%	0.872	78%	0.784	S	S	*	*			trans	114	137.1	169.3	-57.7	-14.1	0	0	0	113.2
679	G	29.5	Very low	33.7	Very low	67 Å²	67	128.6 Å²	128.6	69%	0.691	79%	0.791	S	S	*	*			cis	164.4	120.3	-13.3	0	0	0	0	0	114.8
680	S	30.3	Very low	33.6	Very low	123 Å²	123	130.4 Å²	130.4	86%	0.86	79%	0.792	S	S	*	*			trans	67	171.8	162.7	-49	0	0	0	0	117.1
681	P	49.5	Very low	33.6	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	79%	0.794	S	S	*	*			cis	-129.3	169.5	-8.7	40.3	-25	0	0	0	116.2
682	H	33.5	Very low	32.9	Very low	178 Å²	178	137.6 Å²	137.6	82%	0.824	79%	0.791	S	S	*	*			trans	36.6	131.4	149.6	-74.4	-69.6	0	0	0	123.7
683	Q	34.7	Very low	32.9	Very low	191 Å²	191	145.7 Å²	145.7	89%	0.893	80%	0.797	S	S	*	*			trans	-134.3	152.9	142.3	-163.5	165.8	17.4	0	0	109.6
684	N	32.3	Very low	33.1	Very low	128 Å²	128	150.6 Å²	150.6	68%	0.684	80%	0.799	S	S	*	*			trans	-116.1	180	-174.3	-99.2	-4.3	0	0	0	112
685	D	32.6	Very low	33.5	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	79%	0.787	S	S	*	*			trans	78.6	150.7	164.7	-55	-29.6	0	0	0	118.8
686	V	32.6	Very low	33.8	Very low	112 Å²	112	149.2 Å²	149.2	68%	0.679	79%	0.788	S	S	*	*				-177.3	116.6	-57.9	143.4	0	0	0	0	107.8
687	Q	31.6	Very low	34.5	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.813	79%	0.788	S	S	*	*			trans	61.1	165	160.5	-62.9	179.9	12.8	0	0	116.5
688	T	32	Very low	34.9	Very low	102 Å²	102	159.7 Å²	159.7	63%	0.626	81%	0.806	S	S	*	*			cis	-152.8	151	20.9	-32.6	0	0	0	0	112.8
689	R	34.8	Very low	35.1	Very low	223 Å²	223	159.6 Å²	159.6	84%	0.842	80%	0.803	S	S	*	*			trans	49.5	128.3	148.4	-88.8	167.7	179.7	158.6	-1.7	120.1
690	N	29	Very low	35.4	Very low	162 Å²	162	164.4 Å²	164.4	87%	0.866	81%	0.809	S	S	*	*				-147.8	165.9	83	-139.4	-19.5	0	0	0	113.1
691	R	34.8	Very low	35.6	Very low	204 Å²	204	166.7 Å²	166.7	77%	0.77	81%	0.806	S	S	*	*			trans	-154.4	131.4	-165.3	-172.8	-165.1	-153.5	177.6	11.8	112.5
692	N	32.8	Very low	34.8	Very low	153 Å²	153	170.1 Å²	170.1	82%	0.818	81%	0.812	S	S	*	*			trans	171.1	148.2	145.2	-86.5	-24.6	0	0	0	107.7
693	R	30.3	Very low	34.9	Very low	246 Å²	246	169.6 Å²	169.6	93%	0.928	81%	0.811	S	S	*	*			cis	-126.5	142.3	31.4	-98.8	175.8	169.6	161.6	-4.8	113.8
694	K	36.6	Very low	34.9	Very low	173 Å²	173	168.2 Å²	168.2	75%	0.752	81%	0.805	S	S	*	*			trans	-83.2	171	133.1	-60.4	-176.2	170.4	-172.5	0	106.9
695	T	39.2	Very low	35.1	Very low	120 Å²	120	171.1 Å²	171.1	74%	0.736	81%	0.814	S	S	*	*			cis	-163.2	176.1	35	10.1	0	0	0	0	106
696	L	38	Very low	35.3	Very low	150 Å²	150	172.9 Å²	172.9	79%	0.785	82%	0.816	S	S	*	*			cis	-152.4	157.5	9.9	-127.9	150	0	0	0	107.5
697	Q	44.3	Very low	35.5	Very low	176 Å²	176	178 Å²	178	82%	0.822	83%	0.828	S	S	*	*			trans	-91.9	155	159.8	-69	172.1	-85.4	0	0	109.1
698	H	43	Very low	35.9	Very low	253 Å²	253	178.4 Å²	178.4	100%	1.171	83%	0.829	S	S	*	*				-145.6	0	123.5	-133.7	-50.7	0	0	0	111.9

Retrieved 698 of 698 residues in 205 ms (Link to these results)

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