A0A3Q0KGD8_SCHMA Loading...

Chloride channel protein

AlphaFold DB , UniProt , Accession A0A3Q0KGD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 787 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31	Very low	33.3	Very low	252 Å²	252	142.9 Å²	142.9	100%	1.241	81%	0.807	S	S	*	*				0	176.3	0	-90.1	166.9	165.3	0	0	109.3
2	S	35	Very low	32.9	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	80%	0.798	S	S	*	*			trans	-73.9	147.1	-162.5	54.1	0	0	0	0	116.7
3	R	34.4	Very low	32.4	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	80%	0.8	S	S	*	*			trans	58.4	142.1	132.3	-71.6	177.3	-179	176.7	0.1	118
4	R	35.2	Very low	32.2	Very low	208 Å²	208	145.6 Å²	145.6	79%	0.785	80%	0.802	S	S	*	*			cis	-160.3	-165.6	6.3	-105.4	-161	134.8	146.9	-1.3	106
5	D	34.8	Very low	31.7	Very low	114 Å²	114	147.8 Å²	147.8	61%	0.61	81%	0.807	S	S	*	*				-169.6	148.7	-52.7	-87.3	10.9	0	0	0	103.7
6	V	35.3	Very low	31.4	Very low	136 Å²	136	145.6 Å²	145.6	82%	0.824	80%	0.8	S	S	*	*			cis	-157.9	170.2	-2.8	116.3	0	0	0	0	108.6
7	A	29.2	Very low	31.4	Very low	82 Å²	82	145.2 Å²	145.2	68%	0.678	80%	0.797	S	S	*	*			trans	-100.2	-159.9	178.7	0	0	0	0	0	111.9
8	P	42.2	Very low	31.3	Very low	130 Å²	130	142 Å²	142	84%	0.844	79%	0.792	S	S	*	*			cis	-133.4	-165.1	-18.1	42	-24.2	0	0	0	113.2
9	G	30.9	Very low	31.2	Very low	72 Å²	72	141.7 Å²	141.7	74%	0.742	79%	0.789	S	S	*	*			trans	136.7	91.4	143.5	0	0	0	0	0	121.5
10	A	28.5	Very low	31.2	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	79%	0.79	S	S	*	*			trans	39.6	149.7	134.2	0	0	0	0	0	125.8
11	N	30	Very low	31	Very low	151 Å²	151	142.4 Å²	142.4	81%	0.807	78%	0.784	S	S	*	*			trans	85.5	100	147.1	-68.4	-5.9	0	0	0	123.4
12	S	28.4	Very low	30.9	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	76%	0.764	S	S	*	*				69.3	121.4	120.6	69.7	0	0	0	0	124.4
13	Q	26.1	Very low	30.5	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	76%	0.757	S	S	*	*			trans	77.9	152.3	137.7	-70.6	-174	-0.1	0	0	122.2
14	K	29.7	Very low	30.1	Very low	190 Å²	190	135.3 Å²	135.3	83%	0.826	75%	0.752	S	S	*	*			trans	74.6	81.9	163.2	-69.4	175.9	-178.6	-179.5	0	120.6
15	M	24.5	Very low	29.6	Very low	179 Å²	179	131.7 Å²	131.7	88%	0.882	75%	0.749	S	S	*	*				-0	125.5	114	178.4	-177.9	-171.7	0	0	118
16	T	28	Very low	29.3	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	77%	0.765	S	S	*	*				-170.1	167.3	116	48.2	0	0	0	0	111.9
17	D	30.6	Very low	28.7	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	77%	0.766	S	S	*	*			trans	66.3	129.6	160.1	-45	-48.8	0	0	0	119.5
18	A	30.4	Very low	28.7	Very low	87 Å²	87	145.5 Å²	145.5	72%	0.719	78%	0.779	S	S	*	*			cis	89.5	141.4	26.3	0	0	0	0	0	114.2
19	N	27.9	Very low	28	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	77%	0.773	S	S	*	*			cis	-164.9	157.8	-5.6	-140	-12.2	0	0	0	111.2
20	H	31.8	Very low	27.9	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.806	78%	0.781	S	S	*	*			trans	167.3	126.3	152.4	-97.3	-75.6	0	0	0	109.4
21	N	27.7	Very low	27.7	Very low	123 Å²	123	148 Å²	148	66%	0.658	78%	0.777	S	S	*	*			cis	72.3	134.3	49.5	-74.5	-16.1	0	0	0	114.1
22	L	28.2	Very low	27.7	Very low	157 Å²	157	145.9 Å²	145.9	82%	0.822	77%	0.774	S	S	*	*			cis	-153.9	179	8.4	-112.7	166.5	0	0	0	107.7
23	S	26	Very low	27.6	Very low	79 Å²	79	148 Å²	148	55%	0.552	78%	0.778	S	S	*	*			cis	-163	-161.9	12.9	52.3	0	0	0	0	108.2
24	Y	27.5	Very low	27.8	Very low	203 Å²	203	146.1 Å²	146.1	80%	0.796	78%	0.778	S	S	*	*			cis	-156.7	134.4	3.8	-112.2	-40.6	0	0	0	112.2
25	N	24.8	Very low	27.7	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	78%	0.778	S	S	*	*			trans	17.3	136.2	142.3	-63.7	-20	0	0	0	126
26	F	26.9	Very low	27.9	Very low	216 Å²	216	144.4 Å²	144.4	95%	0.947	78%	0.776	S	S	*	*				-144.9	165.6	106.4	-128	-86.5	0	0	0	111.6
27	R	24	Very low	27.9	Very low	225 Å²	225	144.2 Å²	144.2	85%	0.849	77%	0.774	S	S	*	*			trans	-146.3	144.8	-159.8	-148.4	-170.6	-163.8	-167.2	5.2	113.8
28	L	29.1	Very low	27.9	Very low	181 Å²	181	146.2 Å²	146.2	95%	0.948	78%	0.78	S	S	*	*			trans	-174.4	136.5	153	-94.8	170.8	0	0	0	104.7
29	G	27.5	Very low	28	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	78%	0.782	S	S	*	*			cis	148.8	129.5	5.1	0	0	0	0	0	105.4
30	I	28.7	Very low	28.1	Very low	179 Å²	179	149.4 Å²	149.4	92%	0.918	79%	0.788	S	S	*	*			cis	-141.4	163.7	32.7	-71.8	154.8	0	0	0	109.9
31	S	24.7	Very low	28	Very low	97 Å²	97	148.2 Å²	148.2	68%	0.678	78%	0.783	S	S	*	*			trans	-115.9	151.4	179.2	54.3	0	0	0	0	113.9
32	S	29.6	Very low	28	Very low	107 Å²	107	153.2 Å²	153.2	75%	0.748	79%	0.793	S	S	*	*			trans	-160	86	155.3	61.9	0	0	0	0	111.7
33	D	24.9	Very low	27.9	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	79%	0.793	S	S	*	*			trans	40.7	98.9	135.7	-39.7	-27.6	0	0	0	119.6
34	V	31.3	Very low	28	Very low	136 Å²	136	156.2 Å²	156.2	82%	0.824	79%	0.794	S	S	*	*			trans	-142.4	107.2	142.6	-177.6	0	0	0	0	108.2
35	E	28.1	Very low	27.9	Very low	177 Å²	177	152.9 Å²	152.9	83%	0.827	79%	0.794	S	S	*	*			trans	-85.1	167.2	170.4	-67.4	-175.4	124.8	0	0	111.6
36	D	27.7	Very low	28.1	Very low	156 Å²	156	151.4 Å²	151.4	83%	0.834	79%	0.794	S	S	*	*			trans	51.4	72.8	162.4	-71.6	-9.5	0	0	0	120.1
37	T	29.1	Very low	28	Very low	108 Å²	108	152.7 Å²	152.7	66%	0.663	79%	0.793	S	S	*	*			trans	-122.9	1.9	153.4	45.1	0	0	0	0	114.7
38	Q	30.6	Very low	28.1	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-81.3	-12.4	-176.7	-65.3	-165.2	2.1	0	0	115	F40	Q38-F40 PolarHBondContact O-N 2.86Å
39	A	31	Very low	28	Very low	94 Å²	94	149 Å²	149	78%	0.777	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-71.6	-26.3	-179.9	0	0	0	0	0	114.1	H41	A39-H41 PolarHBondContact O-N 3.2Å
40	F	30.3	Very low	27.8	Very low	196 Å²	196	150.5 Å²	150.5	86%	0.86	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-85.9	-3.6	-166.8	-132.7	-91	0	0	0	115.4	Q38	Q38-F40 PolarHBondContact O-N 2.86Å
41	H	31.2	Very low	27.6	Very low	150 Å²	150	149 Å²	149	69%	0.694	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-102	4.1	-166.4	-93.6	-63.7	0	0	0	116.6	A39	A39-H41 PolarHBondContact O-N 3.2Å
42	R	27.1	Very low	27.6	Very low	228 Å²	228	147.1 Å²	147.1	86%	0.86	78%	0.778	S	S	*	*	S	Bend	trans	-83.8	-11.7	-170.6	-85.7	-173.7	172.2	179.9	-0.6	117.7
43	N	26.5	Very low	27.4	Very low	154 Å²	154	149 Å²	149	82%	0.824	78%	0.784	S	S	*	*			trans	-107.6	42.2	-175.3	-75.2	3.9	0	0	0	114.8
44	Y	27.5	Very low	27.4	Very low	145 Å²	145	148 Å²	148	57%	0.569	78%	0.778	S	S	*	*			trans	-117.4	69	171.1	-93	-83.5	0	0	0	112.3	S46	Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.44Å
45	T	26.2	Very low	27	Very low	132 Å²	132	146.8 Å²	146.8	81%	0.81	78%	0.776	S	S	*	*			trans	-80	74	174.3	39.4	0	0	0	0	111.8	R47	T45-R47 PolarHBondContact O-N 3.15Å
46	S	28.4	Very low	27.1	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	76%	0.761	S	S	*	*			trans	-64.4	99	174	61	0	0	0	0	111.3	Y44 R48	Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.44Å; S46-R48 VanDerWaalsContact C-N 3.29Å; S46-R48 PolarHBondContact O-N 3.41Å
47	R	25.1	Very low	27.3	Very low	243 Å²	243	140.9 Å²	140.9	92%	0.917	75%	0.749	S	S	*	*			trans	-67	84.2	170.3	-84.6	-175.4	166.7	179.2	-3.5	110.6	T45 S49	T45-R47 PolarHBondContact O-N 3.15Å; R47-S49 PolarHBondContact O-N 3.39Å
48	R	25.4	Very low	27.7	Very low	223 Å²	223	143.4 Å²	143.4	84%	0.842	76%	0.758	S	S	*	*			trans	-64.8	91.1	154.7	-87.3	-173.8	169.8	176.1	-2.5	107.6	S46 S50	S46-R48 VanDerWaalsContact C-N 3.29Å; S46-R48 PolarHBondContact O-N 3.41Å; R48-S50 PolarHBondContact O-N 3.08Å
49	S	26.4	Very low	28	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	75%	0.746	S	S	*	*			trans	-70.1	116.4	169.2	50.4	0	0	0	0	108.6	R47	R47-S49 PolarHBondContact O-N 3.39Å
50	S	24.3	Very low	28.4	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	74%	0.74	S	S	*	*			trans	-65.1	132	175.9	51.3	0	0	0	0	110.8	R48 G52	R48-S50 PolarHBondContact O-N 3.08Å; S50-G52 PolarHBondContact O-N 3.14Å
51	T	25.1	Very low	29.2	Very low	147 Å²	147	134.1 Å²	134.1	90%	0.902	71%	0.71	S	S	*	*	S	Bend	trans	45.4	58.1	151.9	57.7	0	0	0	0	115.8
52	G	24	Very low	30	Very low	59 Å²	59	132 Å²	132	61%	0.608	70%	0.7	S	S	*	*			trans	-115.9	116.2	169.2	0	0	0	0	0	111.1	S50 L54	S50-G52 PolarHBondContact O-N 3.14Å; G52-L54 VanDerWaalsContact C-N 3.29Å; G52-L54 PolarHBondContact O-N 3.22Å
53	V	25	Very low	31	Very low	146 Å²	146	122.5 Å²	122.5	89%	0.885	67%	0.668	S	S	*	*			trans	-76.2	87	167.7	-179.6	0	0	0	0	107.8	S55	V53-S55 PolarHBondContact O-N 3.44Å
54	L	24.8	Very low	32.2	Very low	124 Å²	124	118 Å²	118	65%	0.649	64%	0.642	S	S	*	*			trans	-70	99.3	174.6	-87	161.1	0	0	0	109.7	G52 F56	G52-L54 VanDerWaalsContact C-N 3.29Å; G52-L54 PolarHBondContact O-N 3.22Å; L54-F56 HydrophobicContact CB-CD2 3.95Å; L54-F56 HydrophobicContact CB-CE2 3.57Å; L54-F56 HydrophobicContact CB-CZ 4.16Å; L54-F56 HydrophobicContact CD1-CE2 4.07Å; L54-F56 HydrophobicContact CD1-CZ 4.06Å; L54-F56 HydrophobicContact CD2-CZ 4.34Å; L54-F56 HydrophobicContact CG-CE2 4.28Å; L54-F56 HydrophobicContact CG-CZ 4.43Å; L54-F56 PolarHBondContact O-N 2.77Å
55	S	23.8	Very low	33.3	Very low	112 Å²	112	113.5 Å²	113.5	78%	0.783	63%	0.627	S	S	*	*			trans	-75.5	73.4	172.5	41	0	0	0	0	110.5	V53 T57	V53-S55 PolarHBondContact O-N 3.44Å; S55-T57 PolarHBondContact O-N 2.97Å
56	F	30	Very low	34.6	Very low	114 Å²	114	108.5 Å²	108.5	50%	0.5	60%	0.595	S	S	.	*			trans	-63.2	125.5	170.1	-69.2	-75.7	0	0	0	110.4	L54 L61 I782	L54-F56 HydrophobicContact CB-CD2 3.95Å; L54-F56 HydrophobicContact CB-CE2 3.57Å; L54-F56 HydrophobicContact CB-CZ 4.16Å; L54-F56 HydrophobicContact CD1-CE2 4.07Å; L54-F56 HydrophobicContact CD1-CZ 4.06Å; L54-F56 HydrophobicContact CD2-CZ 4.34Å; L54-F56 HydrophobicContact CG-CE2 4.28Å; L54-F56 HydrophobicContact CG-CZ 4.43Å; L54-F56 PolarHBondContact O-N 2.77Å; F56-L61 HydrophobicContact CB-CD1 3.85Å; F56-L61 HydrophobicContact CD1-CD1 3.96Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; F56-L61 HydrophobicContact CG-CD1 3.85Å; F56-I782 HydrophobicContact CE2-CD1 4.31Å
57	T	31.5	Very low	36	Very low	95 Å²	95	104.1 Å²	104.1	58%	0.583	56%	0.564	S	S	*	*			trans	-63.7	131.2	164.8	31.9	0	0	0	0	109.5	S55 D59 D60	S55-T57 PolarHBondContact O-N 2.97Å; T57-D59 PolarHBondContact O-N 3.16Å; T57-D60 PolarHBondContact O-N 2.96Å; T57-D60 PolarHBondContact OG1-OD2 2.75Å
58	N	38	Very low	37.6	Very low	160 Å²	160	93.7 Å²	93.7	86%	0.856	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.9	-172	-82.4	-31.2	0	0	0	115
59	D	37.3	Very low	39.3	Very low	114 Å²	114	87.4 Å²	87.4	61%	0.61	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.3	-175.3	-86.3	-74.8	0	0	0	115	T57 K382	T57-D59 PolarHBondContact O-N 3.16Å; D59-K382 WeakPolarHBondContact OD1-CE 3.36Å; D59-K382 IonicContact OD1-NZ 2.73Å; D59-K382 PolarHBondContact OD1-NZ 3.31Å
60	D	38.8	Very low	40.9	Very low	122 Å²	122	84 Å²	84	65%	0.652	49%	0.489	S	S	*	.	S	Bend	trans	-100.3	-11.7	-171.4	-60.8	-59.9	0	0	0	114.5	T57 H62	T57-D60 PolarHBondContact O-N 2.96Å; T57-D60 PolarHBondContact OG1-OD2 2.75Å; D60-H62 PolarHBondContact O-N 2.72Å
61	L	45.7	Very low	43.2	Very low	42 Å²	42	80.1 Å²	80.1	22%	0.22	46%	0.46	C	S	.	.			trans	-77.7	110.7	178.7	-110.6	75.4	0	0	0	111.3	F56 L66 I782	F56-L61 HydrophobicContact CB-CD1 3.85Å; F56-L61 HydrophobicContact CD1-CD1 3.96Å; F56-L61 HydrophobicContact CD2-CD1 4.46Å; F56-L61 HydrophobicContact CG-CD1 3.85Å; L61-L66 HydrophobicContact CB-CD1 4.35Å; L61-L66 HydrophobicContact CD2-CD1 4.22Å; L61-L66 HydrophobicContact CD2-CD2 4.11Å; L61-L66 HydrophobicContact CD2-CG 4.04Å; L61-I782 HydrophobicContact CD2-CD1 4.34Å
62	H	48.8	Very low	45.6	Very low	106 Å²	106	76.2 Å²	76.2	49%	0.491	43%	0.431	S	S	.	.			trans	-56.5	135.5	170.5	-98.8	-98	0	0	0	111.1	D60 E64 I65 R378	D60-H62 PolarHBondContact O-N 2.72Å; H62-E64 PolarHBondContact O-N 3.48Å; H62-I65 HydrophobicContact CB-CD1 3.95Å; H62-I65 HydrophobicContact CB-CG1 4.09Å; H62-I65 WeakPolarHBondContact O-CB 3.43Å; H62-I65 PolarHBondContact O-N 3.23Å; H62-R378 PolarHBondContact ND1-NH1 2.94Å
63	P	48.1	Very low	48.3	Very low	28 Å²	28	74 Å²	74	18%	0.182	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.8	-173	24.5	-34.5	0	0	0	114.4	I65 L584 S586	P63-I65 VanDerWaalsContact C-N 3.34Å; P63-L584 HydrophobicContact CG-CD2 4.26Å; P63-S586 PolarHBondContact O-OG 3.32Å
64	E	50.9	Low	51.1	Low	59 Å²	59	67.4 Å²	67.4	28%	0.276	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.2	171.7	-64.7	170	-127.3	0	0	113.5	H62 L66 R378 K768	H62-E64 PolarHBondContact O-N 3.48Å; E64-L66 PolarHBondContact O-N 2.81Å; E64-R378 IonicContact OE1-CZ 2.66Å; E64-R378 VanDerWaalsContact OE1-CZ 3.24Å; E64-R378 IonicContact OE1-NH1 3.54Å; E64-R378 PolarHBondContact OE1-NH1 2.85Å; E64-R378 IonicContact OE1-NH2 2.7Å; E64-R378 PolarHBondContact OE1-NH2 3.16Å; E64-K768 IonicContact OE2-NZ 3.39Å; E64-K768 PolarHBondContact OE2-NZ 2.93Å
65	I	51.5	Low	53.6	Low	50 Å²	50	63.5 Å²	63.5	26%	0.256	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.9	179.4	-57.1	177.4	0	0	0	110.5	H62 P63 L781 I782	H62-I65 HydrophobicContact CB-CD1 3.95Å; H62-I65 HydrophobicContact CB-CG1 4.09Å; H62-I65 WeakPolarHBondContact O-CB 3.43Å; H62-I65 PolarHBondContact O-N 3.23Å; P63-I65 VanDerWaalsContact C-N 3.34Å; I65-L781 CarbonylContact O-C 3.55Å; I65-L781 WeakPolarHBondContact O-CA 3.42Å; I65-I782 HydrophobicContact CG2-CG1 4.4Å; I65-I782 PolarHBondContact O-N 2.73Å
66	L	53.7	Low	56.4	Low	28 Å²	28	58.4 Å²	58.4	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.8	-176.2	-77.8	158	0	0	0	112	L61 E64 S586 I782	L61-L66 HydrophobicContact CB-CD1 4.35Å; L61-L66 HydrophobicContact CD2-CD1 4.22Å; L61-L66 HydrophobicContact CD2-CD2 4.11Å; L61-L66 HydrophobicContact CD2-CG 4.04Å; E64-L66 PolarHBondContact O-N 2.81Å; L66-S586 WeakPolarHBondContact O-CA 3.4Å; L66-S586 WeakPolarHBondContact O-CB 3.48Å; L66-S586 PolarHBondContact O-OG 3.45Å; L66-I782 WeakPolarHBondContact CA-O 3.37Å
67	L	57	Low	58.9	Low	8 Å²	8	55 Å²	55	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.2	166.9	-74	172.7	0	0	0	110	Q69 A588 R765 L781 I782 F783 S784	L67-Q69 PolarHBondContact O-N 2.66Å; L67-A588 HydrophobicContact CD2-CB 4.18Å; L67-R765 HydrophobicContact CD1-CB 4.37Å; L67-R765 HydrophobicContact CD1-CG 4.34Å; L67-R765 HydrophobicContact CD2-CG 4.2Å; L67-L781 HydrophobicContact CD1-CB 3.98Å; L67-L781 HydrophobicContact CD1-CD1 3.96Å; L67-L781 HydrophobicContact CD2-CD1 4.48Å; L67-L781 HydrophobicContact CG-CB 4.24Å; L67-L781 HydrophobicContact CG-CD1 4.11Å; L67-I782 PolarHBondContact N-O 2.94Å; L67-I782 VanDerWaalsContact N-O 3.09Å; L67-F783 HydrophobicContact CB-CD1 3.78Å; L67-F783 HydrophobicContact CB-CE1 4.05Å; L67-F783 HydrophobicContact CD1-CD1 4.21Å; L67-F783 HydrophobicContact CD1-CE1 3.63Å; L67-F783 HydrophobicContact CD1-CZ 4.47Å; L67-S784 PolarHBondContact O-N 2.95Å
68	D	59.5	Low	61	Low	25 Å²	25	52.8 Å²	52.8	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.2	-176.6	-177.1	22.7	0	0	0	111.7	G70 S586 K762 S784 K786	D68-G70 PolarHBondContact O-N 3.31Å; D68-G70 PolarHBondContact OD1-N 3.16Å; D68-S586 PolarHBondContact N-O 3.31Å; D68-K762 WeakPolarHBondContact O-CE 3.29Å; D68-S784 WeakPolarHBondContact CA-O 3.46Å; D68-K786 PolarHBondContact OD1-N 2.73Å
69	Q	60.8	Low	62.9	Low	90 Å²	90	47.2 Å²	47.2	42%	0.421	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.8	172.8	-69.2	-177.2	8.3	0	0	112.4	L67 I71 K762 F783 S784 R785	L67-Q69 PolarHBondContact O-N 2.66Å; Q69-I71 VanDerWaalsContact C-N 3.33Å; Q69-I71 PolarHBondContact O-N 3.12Å; Q69-K762 PolarHBondContact O-NZ 3.19Å; Q69-F783 HydrophobicContact CG-CB 3.96Å; Q69-F783 PolarHBondContact NE2-O 2.94Å; Q69-S784 PolarHBondContact N-O 3.18Å; Q69-R785 HydrophobicContact CB-CB 4.01Å; Q69-R785 HydrophobicContact CB-CG 4.08Å
70	G	61.2	Low	65	Low	36 Å²	36	47.2 Å²	47.2	37%	0.371	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.8	-174.9	0	0	0	0	0	116	D68	D68-G70 PolarHBondContact O-N 3.31Å; D68-G70 PolarHBondContact OD1-N 3.16Å
71	I	71.1	Confident	67.3	Low	18 Å²	18	41.5 Å²	41.5	9%	0.092	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-92.4	128.6	177.7	-59.7	171	0	0	0	110	Q69 L194 M587 K762	Q69-I71 VanDerWaalsContact C-N 3.33Å; Q69-I71 PolarHBondContact O-N 3.12Å; I71-L194 HydrophobicContact CG2-CB 4.07Å; I71-L194 HydrophobicContact CG2-CD2 4.04Å; I71-M587 HydrophobicContact CD1-CB 4.44Å; I71-M587 HydrophobicContact CD1-CG 3.66Å; I71-M587 HydrophobicContact CD1-SD 4.06Å; I71-K762 WeakPolarHBondContact O-CE 3.46Å; I71-K762 PolarHBondContact O-NZ 3.26Å
72	E	76.3	Confident	69.3	Low	65 Å²	65	45.8 Å²	45.8	30%	0.304	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	163.8	178.9	-71.6	173.1	-128.9	0	0	112.3	L194 N195 H633 R744	E72-L194 WeakPolarHBondContact O-CA 3.48Å; E72-N195 HydrophobicContact CB-CB 4.34Å; E72-N195 PolarHBondContact O-N 3.44Å; E72-H633 IonicContact OE1-NE2 3.18Å; E72-H633 IonicContact OE2-CD2 3.84Å; E72-H633 IonicContact OE2-NE2 2.7Å; E72-R744 IonicContact OE2-CZ 2.75Å; E72-R744 IonicContact OE2-NH2 3.7Å; E72-R744 PolarHBondContact OE2-NH2 3.5Å
73	G	81.5	Confident	71.2	Confident	12 Å²	12	42.1 Å²	42.1	12%	0.124	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.9	166	0	0	0	0	0	111.8	G193 R744	G73-G193 CarbonylContact C-O 3.51Å; G73-G193 VanDerWaalsContact CA-O 3.25Å; G73-G193 WeakPolarHBondContact CA-O 3.47Å; G73-R744 PolarHBondContact O-NE 3.47Å; G73-R744 PolarHBondContact O-NH1 2.96Å
74	F	82.9	Confident	73	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.035	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-82.2	148.6	163.2	-74.2	-65.9	0	0	0	111	Y76 Y190 G193 L194 N195 D260	F74-Y76 HydrophobicContact CB-CD1 3.86Å; F74-Y76 HydrophobicContact CB-CE1 3.47Å; F74-Y76 VanDerWaalsContact CB-CE1 3.47Å; F74-Y76 HydrophobicContact CB-CE2 4.41Å; F74-Y76 HydrophobicContact CB-CG 4.46Å; F74-Y76 HydrophobicContact CD2-CE1 4.06Å; F74-Y76 AromaticContact CD2-CZ 3.86Å; F74-Y76 WeakPolarHBondContact CD2-OH 3.44Å; F74-Y76 AromaticContact CG-CE1 3.86Å; F74-Y76 HydrophobicContact CG-CE1 3.86Å; F74-Y76 PolarHBondContact O-N 2.88Å; F74-Y190 HydrophobicContact CE2-CD1 4.43Å; F74-Y190 AromaticContact CE2-CD2 3.61Å; F74-Y190 HydrophobicContact CE2-CD2 3.61Å; F74-Y190 HydrophobicContact CE2-CE1 4.28Å; F74-Y190 AromaticContact CE2-CE2 3.47Å; F74-Y190 HydrophobicContact CE2-CE2 3.47Å; F74-Y190 VanDerWaalsContact CE2-CE2 3.47Å; F74-Y190 HydrophobicContact CE2-CG 4.09Å; F74-Y190 AromaticContact CE2-CZ 3.81Å; F74-Y190 AromaticContact CZ-CD2 3.92Å; F74-Y190 HydrophobicContact CZ-CD2 3.92Å; F74-Y190 AromaticContact CZ-CE2 3.37Å; F74-Y190 HydrophobicContact CZ-CE2 3.37Å; F74-Y190 AromaticContact CZ-CZ 3.8Å; F74-G193 PolarHBondContact N-O 2.97Å; F74-L194 WeakPolarHBondContact CE2-O 2.99Å; F74-N195 HydrophobicContact CD1-CB 4.06Å; F74-N195 HydrophobicContact CD2-CB 4.22Å; F74-N195 HydrophobicContact CE1-CB 3.69Å; F74-N195 VanDerWaalsContact CE1-CG 3.5Å; F74-N195 VanDerWaalsContact CE2-CA 3.48Å; F74-N195 HydrophobicContact CE2-CB 3.89Å; F74-N195 HydrophobicContact CG-CB 4.3Å; F74-N195 HydrophobicContact CZ-CB 3.6Å; F74-N195 WeakPolarHBondContact CZ-OD1 3.27Å; F74-D260 HydrophobicContact CD1-CB 4.28Å
75	D	77.6	Confident	74.6	Confident	42 Å²	42	44 Å²	44	23%	0.225	23%	0.23	C	C	.	.			trans	-87.5	97.8	164.3	-65.6	-75.5	0	0	0	108.8	R744	D75-R744 WeakPolarHBondContact OD1-CB 3.33Å; D75-R744 WeakPolarHBondContact OD1-CD 3.49Å; D75-R744 WeakPolarHBondContact OD2-CD 3.44Å; D75-R744 IonicContact OD2-CZ 3.76Å; D75-R744 IonicContact OD2-NE 3.76Å; D75-R744 IonicContact OD2-NH1 3.82Å; D75-R744 PolarHBondContact OD2-NH1 2.95Å
76	Y	81.4	Confident	76.3	Confident	4 Å²	4	46 Å²	46	2%	0.016	24%	0.242	C	C	.	.			trans	-90.7	-11.5	173.8	-66.1	-30.7	0	0	0	113.9	F74 P78 Y190 G193 D260 R264	F74-Y76 HydrophobicContact CB-CD1 3.86Å; F74-Y76 HydrophobicContact CB-CE1 3.47Å; F74-Y76 VanDerWaalsContact CB-CE1 3.47Å; F74-Y76 HydrophobicContact CB-CE2 4.41Å; F74-Y76 HydrophobicContact CB-CG 4.46Å; F74-Y76 HydrophobicContact CD2-CE1 4.06Å; F74-Y76 AromaticContact CD2-CZ 3.86Å; F74-Y76 WeakPolarHBondContact CD2-OH 3.44Å; F74-Y76 AromaticContact CG-CE1 3.86Å; F74-Y76 HydrophobicContact CG-CE1 3.86Å; F74-Y76 PolarHBondContact O-N 2.88Å; Y76-P78 WeakPolarHBondContact O-CD 3.28Å; Y76-Y190 PolarHBondContact OH-O 3.01Å; Y76-G193 VanDerWaalsContact CE2-CA 3.46Å; Y76-D260 HydrophobicContact CD1-CB 4.06Å; Y76-D260 HydrophobicContact CE1-CB 4.09Å; Y76-R264 HydrophobicContact CE1-CB 3.86Å; Y76-R264 HydrophobicContact CE1-CG 4.16Å; Y76-R264 VanDerWaalsContact CE2-CD 3.44Å; Y76-R264 HydrophobicContact CE2-CG 4.23Å; Y76-R264 VanDerWaalsContact CZ-CD 3.47Å
77	D	82.8	Confident	77.7	Confident	44 Å²	44	46.7 Å²	46.7	24%	0.235	24%	0.244	C	C	.	.	S	Bend	trans	-78.5	114.1	169.5	-172.1	23.7	0	0	0	109.2	V79 Y723 L743	D77-V79 PolarHBondContact O-N 3.46Å; D77-Y723 WeakPolarHBondContact OD2-CD2 3.48Å; D77-L743 HydrophobicContact CB-CD2 4.01Å
78	P	77	Confident	78.9	Confident	48 Å²	48	48 Å²	48	31%	0.312	26%	0.259	S	S	.	.			trans	-70.5	116.5	-176.1	28.2	-34.2	0	0	0	111	Y76 Q80	Y76-P78 WeakPolarHBondContact O-CD 3.28Å; P78-Q80 WeakPolarHBondContact O-CG 3.42Å; P78-Q80 PolarHBondContact O-N 3.25Å
79	V	78.2	Confident	80	Confident	43 Å²	43	50 Å²	50	26%	0.261	28%	0.28	S	S	.	.			trans	-55.3	110.8	-175.6	179.2	0	0	0	0	112.1	D77 N81 F84 C719	D77-V79 PolarHBondContact O-N 3.46Å; V79-N81 HydrophobicContact CG1-CB 4.38Å; V79-N81 PolarHBondContact O-N 3.14Å; V79-N81 VanDerWaalsContact O-N 3.15Å; V79-F84 HydrophobicContact CB-CD2 4.45Å; V79-F84 HydrophobicContact CB-CE2 4.47Å; V79-F84 WeakPolarHBondContact O-CB 3.47Å; V79-F84 WeakPolarHBondContact O-CD2 3.18Å; V79-C719 HydrophobicContact CG1-CB 4.31Å
80	Q	81	Confident	81	Confident	114 Å²	114	54.5 Å²	54.5	53%	0.533	29%	0.293	S	S	.	.			trans	-87.3	78.6	176	-58	-169.5	27.9	0	0	110.3	P78	P78-Q80 WeakPolarHBondContact O-CG 3.42Å; P78-Q80 PolarHBondContact O-N 3.25Å
81	N	87.5	Confident	81.7	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.011	29%	0.285	C	S	.	.			trans	-104	169.1	163.8	81.4	16.8	0	0	0	110.7	V79 I83 F84 T85 Y717 M718	V79-N81 HydrophobicContact CG1-CB 4.38Å; V79-N81 PolarHBondContact O-N 3.14Å; V79-N81 VanDerWaalsContact O-N 3.15Å; N81-I83 PolarHBondContact O-N 3.41Å; N81-I83 WeakPolarHBondContact OD1-CB 3.44Å; N81-I83 PolarHBondContact OD1-N 3.48Å; N81-I83 VanDerWaalsContact OD1-N 3.07Å; N81-F84 PolarHBondContact O-N 3.46Å; N81-F84 WeakPolarHBondContact OD1-CD2 3.44Å; N81-F84 PolarHBondContact OD1-N 3.43Å; N81-F84 VanDerWaalsContact OD1-N 3.1Å; N81-T85 PolarHBondContact O-N 3.09Å; N81-T85 PolarHBondContact O-OG1 3.31Å; N81-Y717 WeakPolarHBondContact CB-O 3.17Å; N81-Y717 PolarHBondContact ND2-O 3.1Å; N81-M718 WeakPolarHBondContact CB-O 3.39Å
82	R	86.9	Confident	82	Confident	132 Å²	132	59.4 Å²	59.4	50%	0.498	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-34.1	-173.2	-60.8	-173.3	-176.3	-147.3	-9.2	113.5	T85 D86 E720	R82-T85 WeakPolarHBondContact CA-OG1 3.39Å; R82-T85 PolarHBondContact O-N 2.99Å; R82-T85 PolarHBondContact O-OG1 2.83Å; R82-D86 VanDerWaalsContact O-CB 3.31Å; R82-D86 WeakPolarHBondContact O-CB 3.37Å; R82-D86 PolarHBondContact O-N 2.81Å; R82-E720 IonicContact CZ-OE1 3.16Å; R82-E720 IonicContact NE-OE1 3.16Å; R82-E720 PolarHBondContact NE-OE1 3.21Å; R82-E720 IonicContact NH2-OE1 2.74Å; R82-E720 PolarHBondContact NH2-OE1 3.31Å; R82-E720 IonicContact NH2-OE2 2.71Å
83	I	87.8	Confident	82.2	Confident	28 Å²	28	60.1 Å²	60.1	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-40.3	179.3	-65.4	165.4	0	0	0	111	N81 E87 L681 Y686 Y717	N81-I83 PolarHBondContact O-N 3.41Å; N81-I83 WeakPolarHBondContact OD1-CB 3.44Å; N81-I83 PolarHBondContact OD1-N 3.48Å; N81-I83 VanDerWaalsContact OD1-N 3.07Å; I83-E87 VanDerWaalsContact O-CB 3.28Å; I83-E87 WeakPolarHBondContact O-CB 3.48Å; I83-E87 PolarHBondContact O-N 3.02Å; I83-E87 VanDerWaalsContact O-N 3.13Å; I83-L681 HydrophobicContact CD1-CB 4.07Å; I83-L681 WeakPolarHBondContact CD1-O 3.17Å; I83-Y686 HydrophobicContact CD1-CE2 3.98Å; I83-Y686 HydrophobicContact CG2-CE2 4.35Å; I83-Y717 HydrophobicContact CD1-CD1 3.8Å; I83-Y717 HydrophobicContact CD1-CE1 3.6Å
84	F	85.9	Confident	82.2	Confident	59 Å²	59	68.9 Å²	68.9	26%	0.259	35%	0.352	S	S	.	.	H	α-helix	trans	-71.5	-34.9	175.2	-71	-68.2	0	0	0	112.3	V79 N81 G88 H660 Y683 Y686	V79-F84 HydrophobicContact CB-CD2 4.45Å; V79-F84 HydrophobicContact CB-CE2 4.47Å; V79-F84 WeakPolarHBondContact O-CB 3.47Å; V79-F84 WeakPolarHBondContact O-CD2 3.18Å; N81-F84 PolarHBondContact O-N 3.46Å; N81-F84 WeakPolarHBondContact OD1-CD2 3.44Å; N81-F84 PolarHBondContact OD1-N 3.43Å; N81-F84 VanDerWaalsContact OD1-N 3.1Å; F84-G88 PolarHBondContact O-N 3.39Å; F84-H660 AromaticContact CE2-CE1 3.96Å; F84-Y683 AromaticContact CD1-CD2 3.75Å; F84-Y683 HydrophobicContact CD1-CD2 3.75Å; F84-Y683 AromaticContact CD1-CE2 3.68Å; F84-Y683 HydrophobicContact CD1-CE2 3.68Å; F84-Y683 AromaticContact CE1-CD2 3.7Å; F84-Y683 HydrophobicContact CE1-CD2 3.7Å; F84-Y683 AromaticContact CE1-CE2 3.55Å; F84-Y683 HydrophobicContact CE1-CE2 3.55Å; F84-Y686 HydrophobicContact CE2-CD1 4.37Å; F84-Y686 HydrophobicContact CE2-CE1 4.48Å; F84-Y686 HydrophobicContact CE2-CG 4.46Å; F84-Y686 HydrophobicContact CZ-CD1 4.18Å; F84-Y686 HydrophobicContact CZ-CD2 4.43Å; F84-Y686 HydrophobicContact CZ-CG 4.01Å
85	T	86.1	Confident	82.3	Confident	68 Å²	68	70.6 Å²	70.6	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-42.6	175.1	56	0	0	0	0	112.5	N81 R82 G88 A89	N81-T85 PolarHBondContact O-N 3.09Å; N81-T85 PolarHBondContact O-OG1 3.31Å; R82-T85 WeakPolarHBondContact CA-OG1 3.39Å; R82-T85 PolarHBondContact O-N 2.99Å; R82-T85 PolarHBondContact O-OG1 2.83Å; T85-G88 WeakPolarHBondContact O-CA 3.25Å; T85-G88 PolarHBondContact O-N 2.72Å; T85-A89 WeakPolarHBondContact O-CB 3.36Å; T85-A89 PolarHBondContact O-N 3.29Å
86	D	86	Confident	82.5	Confident	93 Å²	93	70.4 Å²	70.4	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-43.7	179.6	-74.1	0.8	0	0	0	111.8	R82 G88 A89 R90	R82-D86 VanDerWaalsContact O-CB 3.31Å; R82-D86 WeakPolarHBondContact O-CB 3.37Å; R82-D86 PolarHBondContact O-N 2.81Å; D86-G88 VanDerWaalsContact C-N 3.31Å; D86-A89 PolarHBondContact O-N 3.06Å; D86-R90 VanDerWaalsContact O-CG 3.29Å; D86-R90 WeakPolarHBondContact O-CG 3.47Å; D86-R90 PolarHBondContact O-N 3.34Å; D86-R90 VanDerWaalsContact O-N 3.07Å
87	E	83.7	Confident	82.6	Confident	42 Å²	42	75 Å²	75	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-32.3	173.9	-177.5	61.8	-165.8	0	0	111.8	I83 R90 R91 Y683	I83-E87 VanDerWaalsContact O-CB 3.28Å; I83-E87 WeakPolarHBondContact O-CB 3.48Å; I83-E87 PolarHBondContact O-N 3.02Å; I83-E87 VanDerWaalsContact O-N 3.13Å; E87-R90 IonicContact OE2-NH1 3.04Å; E87-R91 VanDerWaalsContact CG-NH2 3.34Å; E87-R91 WeakPolarHBondContact O-CD 3.25Å; E87-R91 VanDerWaalsContact O-CG 3.26Å; E87-R91 WeakPolarHBondContact O-CG 3.12Å; E87-R91 PolarHBondContact O-N 3.23Å; E87-R91 IonicContact OE1-CZ 2.71Å; E87-R91 IonicContact OE1-NE 3.67Å; E87-R91 PolarHBondContact OE1-NE 3.17Å; E87-R91 IonicContact OE1-NH2 3.55Å; E87-R91 PolarHBondContact OE1-NH2 3.38Å; E87-Y683 HydrophobicContact CB-CD2 4.13Å; E87-Y683 HydrophobicContact CB-CG 4.27Å; E87-Y683 HydrophobicContact CG-CD1 4.12Å; E87-Y683 HydrophobicContact CG-CD2 3.8Å; E87-Y683 HydrophobicContact CG-CE2 4.2Å; E87-Y683 HydrophobicContact CG-CG 3.74Å
88	G	81	Confident	82.9	Confident	34 Å²	34	78.9 Å²	78.9	35%	0.351	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-51.9	169.7	0	0	0	0	0	112	F84 T85 D86 R90 R91 V92	F84-G88 PolarHBondContact O-N 3.39Å; T85-G88 WeakPolarHBondContact O-CA 3.25Å; T85-G88 PolarHBondContact O-N 2.72Å; D86-G88 VanDerWaalsContact C-N 3.31Å; G88-R90 VanDerWaalsContact C-N 3.34Å; G88-R90 PolarHBondContact O-N 2.94Å; G88-R91 WeakPolarHBondContact O-CB 3.37Å; G88-R91 PolarHBondContact O-N 2.87Å; G88-V92 PolarHBondContact O-N 3.03Å
89	A	84.2	Confident	83.4	Confident	69 Å²	69	85.1 Å²	85.1	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-58.2	-43	179.1	0	0	0	0	0	112.2	T85 D86 R91 V92	T85-A89 WeakPolarHBondContact O-CB 3.36Å; T85-A89 PolarHBondContact O-N 3.29Å; D86-A89 PolarHBondContact O-N 3.06Å; A89-R91 PolarHBondContact O-N 3.11Å; A89-V92 WeakPolarHBondContact O-CB 3.21Å; A89-V92 WeakPolarHBondContact O-CG2 3.47Å; A89-V92 PolarHBondContact O-N 3.48Å
90	R	80.2	Confident	83.8	Confident	184 Å²	184	83.7 Å²	83.7	69%	0.694	42%	0.424	S	S	*	.	H	α-helix	trans	-58.8	-28.3	174.4	-71.1	167.9	-176	179.6	1.2	113.5	D86 E87 G88	D86-R90 VanDerWaalsContact O-CG 3.29Å; D86-R90 WeakPolarHBondContact O-CG 3.47Å; D86-R90 PolarHBondContact O-N 3.34Å; D86-R90 VanDerWaalsContact O-N 3.07Å; E87-R90 IonicContact OE2-NH1 3.04Å; G88-R90 VanDerWaalsContact C-N 3.34Å; G88-R90 PolarHBondContact O-N 2.94Å
91	R	75.9	Confident	84.1	Confident	58 Å²	58	79.5 Å²	79.5	22%	0.219	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.9	-177.9	-69.6	169.8	-174	-173.3	4.6	114.4	E87 G88 A89 S93 S96 Y683	E87-R91 VanDerWaalsContact CG-NH2 3.34Å; E87-R91 WeakPolarHBondContact O-CD 3.25Å; E87-R91 VanDerWaalsContact O-CG 3.26Å; E87-R91 WeakPolarHBondContact O-CG 3.12Å; E87-R91 PolarHBondContact O-N 3.23Å; E87-R91 IonicContact OE1-CZ 2.71Å; E87-R91 IonicContact OE1-NE 3.67Å; E87-R91 PolarHBondContact OE1-NE 3.17Å; E87-R91 IonicContact OE1-NH2 3.55Å; E87-R91 PolarHBondContact OE1-NH2 3.38Å; G88-R91 WeakPolarHBondContact O-CB 3.37Å; G88-R91 PolarHBondContact O-N 2.87Å; A89-R91 PolarHBondContact O-N 3.11Å; R91-S93 PolarHBondContact O-N 3.44Å; R91-S96 VanDerWaalsContact O-CB 3.28Å; R91-S96 WeakPolarHBondContact O-CB 3.36Å; R91-S96 PolarHBondContact O-OG 3.3Å; R91-Y683 PolarHBondContact NH1-OH 2.93Å; R91-Y683 VanDerWaalsContact NH1-OH 3.16Å; R91-Y683 VanDerWaalsContact NH2-CZ 3.27Å; R91-Y683 PolarHBondContact NH2-OH 3.22Å
92	V	77.9	Confident	84.3	Confident	99 Å²	99	84.1 Å²	84.1	60%	0.6	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13	-177.7	179.9	0	0	0	0	113.6	G88 A89 Y94 I97	G88-V92 PolarHBondContact O-N 3.03Å; A89-V92 WeakPolarHBondContact O-CB 3.21Å; A89-V92 WeakPolarHBondContact O-CG2 3.47Å; A89-V92 PolarHBondContact O-N 3.48Å; V92-Y94 PolarHBondContact O-N 3.13Å; V92-I97 VanDerWaalsContact O-CD1 3.25Å; V92-I97 WeakPolarHBondContact O-CD1 3.36Å
93	S	81.8	Confident	84.5	Confident	80 Å²	80	79.7 Å²	79.7	56%	0.559	42%	0.419	S	S	*	.	S	Bend	trans	-54.6	132.7	173.9	177.8	0	0	0	0	112.2	R91 G95 S96 I97	R91-S93 PolarHBondContact O-N 3.44Å; S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 2.9Å; S93-G95 VanDerWaalsContact O-N 3.15Å; S93-S96 WeakPolarHBondContact O-CA 3.3Å; S93-S96 VanDerWaalsContact O-CB 3.26Å; S93-S96 WeakPolarHBondContact O-CB 3.43Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-I97 PolarHBondContact O-N 2.89Å
94	Y	79.6	Confident	84.7	Confident	195 Å²	195	79 Å²	79	77%	0.765	42%	0.415	S	S	*	.	H	α-helix	trans	-51.6	-41.9	-175.4	-176.6	-92.2	0	0	0	113.2	V92 S96 I97 F98	V92-Y94 PolarHBondContact O-N 3.13Å; Y94-S96 VanDerWaalsContact C-N 3.33Å; Y94-S96 PolarHBondContact O-N 3.19Å; Y94-I97 PolarHBondContact O-N 3.07Å; Y94-F98 WeakPolarHBondContact O-CB 3.46Å; Y94-F98 PolarHBondContact O-N 3.44Å
95	G	85	Confident	85	Confident	45 Å²	45	80.3 Å²	80.3	46%	0.464	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-30.4	176.9	0	0	0	0	0	113.9	S93 R99	S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 2.9Å; S93-G95 VanDerWaalsContact O-N 3.15Å; G95-R99 WeakPolarHBondContact O-CB 3.3Å; G95-R99 PolarHBondContact O-N 2.91Å
96	S	82.4	Confident	85.4	Confident	38 Å²	38	79.3 Å²	79.3	27%	0.266	42%	0.417	S	S	.	.	H	α-helix	trans	-70.5	-46.2	172.7	164.3	0	0	0	0	110.8	R91 S93 Y94 F98 R99 G100	R91-S96 VanDerWaalsContact O-CB 3.28Å; R91-S96 WeakPolarHBondContact O-CB 3.36Å; R91-S96 PolarHBondContact O-OG 3.3Å; S93-S96 WeakPolarHBondContact O-CA 3.3Å; S93-S96 VanDerWaalsContact O-CB 3.26Å; S93-S96 WeakPolarHBondContact O-CB 3.43Å; S93-S96 PolarHBondContact O-N 2.92Å; Y94-S96 VanDerWaalsContact C-N 3.33Å; Y94-S96 PolarHBondContact O-N 3.19Å; S96-F98 PolarHBondContact O-N 2.84Å; S96-R99 PolarHBondContact O-N 3.23Å; S96-G100 PolarHBondContact O-N 3.17Å
97	I	84.2	Confident	85.8	Confident	99 Å²	99	75.3 Å²	75.3	51%	0.508	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-48.8	176.1	-62.7	174.2	0	0	0	110.8	V92 S93 Y94 G100 A101	V92-I97 VanDerWaalsContact O-CD1 3.25Å; V92-I97 WeakPolarHBondContact O-CD1 3.36Å; S93-I97 PolarHBondContact O-N 2.89Å; Y94-I97 PolarHBondContact O-N 3.07Å; I97-G100 PolarHBondContact O-N 3.25Å; I97-A101 WeakPolarHBondContact O-CB 3.12Å; I97-A101 PolarHBondContact O-N 3.05Å
98	F	87.9	Confident	86.4	Confident	126 Å²	126	73.3 Å²	73.3	55%	0.553	39%	0.387	S	S	*	.	H	α-helix	trans	-61.4	-45.3	177.7	-178	-98.2	0	0	0	111.9	Y94 S96 G100 A101 L102	Y94-F98 WeakPolarHBondContact O-CB 3.46Å; Y94-F98 PolarHBondContact O-N 3.44Å; S96-F98 PolarHBondContact O-N 2.84Å; F98-G100 PolarHBondContact O-N 2.8Å; F98-A101 PolarHBondContact O-N 3Å; F98-L102 WeakPolarHBondContact O-CB 3.17Å; F98-L102 PolarHBondContact O-N 3.48Å
99	R	87.8	Confident	87.1	Confident	179 Å²	179	76 Å²	76	68%	0.675	39%	0.39	S	S	*	.	H	α-helix	trans	-62.6	-40.3	177.2	-172.8	179	-173.1	-178.8	4.3	112.4	G95 S96 L103	G95-R99 WeakPolarHBondContact O-CB 3.3Å; G95-R99 PolarHBondContact O-N 2.91Å; S96-R99 PolarHBondContact O-N 3.23Å; R99-L103 VanDerWaalsContact O-CB 3.3Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 PolarHBondContact O-N 3.33Å
100	G	86.9	Confident	87.7	Confident	13 Å²	13	77.7 Å²	77.7	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-65.2	-41.6	174.6	0	0	0	0	0	112.5	S96 I97 F98 L103 R104	S96-G100 PolarHBondContact O-N 3.17Å; I97-G100 PolarHBondContact O-N 3.25Å; F98-G100 PolarHBondContact O-N 2.8Å; G100-L103 PolarHBondContact O-N 3.34Å; G100-R104 PolarHBondContact O-N 3.21Å
101	A	88.1	Confident	88.5	Confident	26 Å²	26	68.9 Å²	68.9	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-46.5	174.8	0	0	0	0	0	112.1	I97 F98 L103 R104 H105	I97-A101 WeakPolarHBondContact O-CB 3.12Å; I97-A101 PolarHBondContact O-N 3.05Å; F98-A101 PolarHBondContact O-N 3Å; A101-L103 VanDerWaalsContact C-N 3.35Å; A101-L103 PolarHBondContact O-N 2.58Å; A101-R104 PolarHBondContact O-N 2.64Å; A101-H105 PolarHBondContact O-N 3.25Å; A101-H105 PolarHBondContact O-ND1 2.91Å
102	L	90.9	Very high	89.5	Confident	100 Å²	100	66.1 Å²	66.1	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-56.7	-49.4	174.9	-172.8	76	0	0	0	110.5	F98 R104 H105 S106	F98-L102 WeakPolarHBondContact O-CB 3.17Å; F98-L102 PolarHBondContact O-N 3.48Å; L102-R104 PolarHBondContact O-N 3.21Å; L102-H105 PolarHBondContact O-N 3.33Å; L102-S106 PolarHBondContact O-N 3.05Å; L102-S106 PolarHBondContact O-OG 3.45Å; L102-S106 VanDerWaalsContact O-OG 3.09Å
103	L	91.8	Very high	90.5	Very high	38 Å²	38	63 Å²	63	20%	0.199	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-37.5	-178.8	-163.5	71.5	0	0	0	112.6	R99 G100 A101 S106 V107 C253 L254 I256 F257	R99-L103 VanDerWaalsContact O-CB 3.3Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 PolarHBondContact O-N 3.33Å; G100-L103 PolarHBondContact O-N 3.34Å; A101-L103 VanDerWaalsContact C-N 3.35Å; A101-L103 PolarHBondContact O-N 2.58Å; L103-S106 PolarHBondContact O-N 3.34Å; L103-V107 WeakPolarHBondContact O-CG2 3.37Å; L103-V107 PolarHBondContact O-N 2.87Å; L103-C253 HydrophobicContact CD1-CB 4.46Å; L103-C253 HydrophobicContact CD2-CB 4.11Å; L103-C253 VanDerWaalsContact CD2-O 3.23Å; L103-C253 WeakPolarHBondContact CD2-O 3.25Å; L103-L254 HydrophobicContact CD1-CD2 4.34Å; L103-L254 HydrophobicContact CD2-CD2 3.84Å; L103-L254 HydrophobicContact CG-CD2 3.96Å; L103-I256 HydrophobicContact CD2-CG2 4.34Å; L103-F257 HydrophobicContact CB-CE2 4.18Å; L103-F257 HydrophobicContact CB-CZ 4.25Å; L103-F257 HydrophobicContact CD2-CE2 3.81Å; L103-F257 HydrophobicContact CD2-CZ 4.4Å; L103-F257 HydrophobicContact CG-CE2 3.86Å; L103-F257 HydrophobicContact CG-CZ 4.42Å
104	R	91.7	Very high	91.2	Very high	13 Å²	13	63.7 Å²	63.7	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-44.3	174.7	-179.4	151.5	172.6	166.6	-4.5	110.7	G100 A101 L102 V107 L108 F257 E262 D265 F266	G100-R104 PolarHBondContact O-N 3.21Å; A101-R104 PolarHBondContact O-N 2.64Å; L102-R104 PolarHBondContact O-N 3.21Å; R104-V107 PolarHBondContact O-N 3.06Å; R104-L108 HydrophobicContact CG-CD1 3.93Å; R104-L108 VanDerWaalsContact O-CD1 3.29Å; R104-L108 WeakPolarHBondContact O-CD1 3.29Å; R104-L108 VanDerWaalsContact O-CG 3.23Å; R104-L108 WeakPolarHBondContact O-CG 3.26Å; R104-L108 PolarHBondContact O-N 2.96Å; R104-F257 HydrophobicContact CB-CE1 4.02Å; R104-F257 HydrophobicContact CB-CZ 3.68Å; R104-E262 IonicContact CZ-OE2 2.9Å; R104-E262 IonicContact NH1-OE1 3.73Å; R104-E262 PolarHBondContact NH1-OE1 3.32Å; R104-E262 IonicContact NH1-OE2 3.77Å; R104-E262 PolarHBondContact NH1-OE2 3.41Å; R104-D265 IonicContact CZ-OD2 2.88Å; R104-D265 IonicContact NH1-OD2 2.78Å; R104-D265 IonicContact NH2-OD2 3.11Å; R104-D265 PolarHBondContact NH2-OD2 3.23Å; R104-F266 HydrophobicContact CB-CZ 4.34Å; R104-F266 HydrophobicContact CG-CE1 3.89Å; R104-F266 HydrophobicContact CG-CZ 3.76Å
105	H	92.9	Very high	92	Very high	88 Å²	88	54.4 Å²	54.4	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-39	175.6	-66.9	93.4	0	0	0	112.7	A101 L102 V107 L108 F109	A101-H105 PolarHBondContact O-N 3.25Å; A101-H105 PolarHBondContact O-ND1 2.91Å; L102-H105 PolarHBondContact O-N 3.33Å; H105-V107 PolarHBondContact O-N 3.3Å; H105-L108 PolarHBondContact O-N 2.99Å; H105-F109 WeakPolarHBondContact O-CB 3.28Å; H105-F109 PolarHBondContact O-N 2.68Å
106	S	94.1	Very high	92.5	Very high	46 Å²	46	52.2 Å²	52.2	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-44.2	173.2	-54.5	0	0	0	0	112.1	L102 L103 F109 F110	L102-S106 PolarHBondContact O-N 3.05Å; L102-S106 PolarHBondContact O-OG 3.45Å; L102-S106 VanDerWaalsContact O-OG 3.09Å; L103-S106 PolarHBondContact O-N 3.34Å; S106-F109 PolarHBondContact O-N 3.05Å; S106-F110 WeakPolarHBondContact O-CD2 3.36Å; S106-F110 PolarHBondContact O-N 3.33Å
107	V	94.4	Very high	93.1	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44.5	175.8	170.9	0	0	0	0	111.1	L103 R104 H105 F109 F110 I111 L254 F257 F266	L103-V107 WeakPolarHBondContact O-CG2 3.37Å; L103-V107 PolarHBondContact O-N 2.87Å; R104-V107 PolarHBondContact O-N 3.06Å; H105-V107 PolarHBondContact O-N 3.3Å; V107-F109 PolarHBondContact O-N 3.16Å; V107-F110 PolarHBondContact O-N 2.95Å; V107-I111 HydrophobicContact CG1-CD1 3.75Å; V107-I111 HydrophobicContact CG1-CG1 4.35Å; V107-I111 VanDerWaalsContact O-CG1 3.27Å; V107-I111 WeakPolarHBondContact O-CG1 3.2Å; V107-I111 PolarHBondContact O-N 2.85Å; V107-L254 HydrophobicContact CG2-CD2 3.42Å; V107-L254 VanDerWaalsContact CG2-CD2 3.42Å; V107-F257 HydrophobicContact CG2-CD2 4.44Å; V107-F257 HydrophobicContact CG2-CE2 4.19Å; V107-F266 HydrophobicContact CB-CE1 3.86Å; V107-F266 HydrophobicContact CB-CZ 4.34Å; V107-F266 HydrophobicContact CG1-CD1 3.7Å; V107-F266 HydrophobicContact CG1-CE1 3.44Å; V107-F266 VanDerWaalsContact CG1-CE1 3.44Å; V107-F266 HydrophobicContact CG1-CG 4.45Å; V107-F266 HydrophobicContact CG1-CZ 4.05Å
108	L	95.4	Very high	93.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-39.7	178.2	-69.2	157.9	0	0	0	112.8	R104 H105 I111 G112 F266 A269 T304 F307 A308	R104-L108 HydrophobicContact CG-CD1 3.93Å; R104-L108 VanDerWaalsContact O-CD1 3.29Å; R104-L108 WeakPolarHBondContact O-CD1 3.29Å; R104-L108 VanDerWaalsContact O-CG 3.23Å; R104-L108 WeakPolarHBondContact O-CG 3.26Å; R104-L108 PolarHBondContact O-N 2.96Å; H105-L108 PolarHBondContact O-N 2.99Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-G112 PolarHBondContact O-N 3.01Å; L108-F266 HydrophobicContact CD2-CD1 3.96Å; L108-F266 HydrophobicContact CD2-CE1 4.23Å; L108-F266 HydrophobicContact CG-CD1 4.24Å; L108-F266 HydrophobicContact CG-CE1 4.03Å; L108-A269 HydrophobicContact CD2-CB 3.6Å; L108-T304 VanDerWaalsContact CD1-CB 3.42Å; L108-T304 HydrophobicContact CD1-CG2 3.51Å; L108-F307 HydrophobicContact CB-CD1 4.03Å; L108-F307 HydrophobicContact CB-CE1 4.31Å; L108-A308 HydrophobicContact CB-CB 4.42Å; L108-A308 HydrophobicContact CD2-CB 4.21Å
109	F	96.7	Very high	94	Very high	91 Å²	91	43.8 Å²	43.8	40%	0.399	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-49.9	173.1	176.5	-97.1	0	0	0	110.9	H105 S106 V107 I111 G112 V113 F307 V311	H105-F109 WeakPolarHBondContact O-CB 3.28Å; H105-F109 PolarHBondContact O-N 2.68Å; S106-F109 PolarHBondContact O-N 3.05Å; V107-F109 PolarHBondContact O-N 3.16Å; F109-I111 PolarHBondContact O-N 2.91Å; F109-G112 PolarHBondContact O-N 2.94Å; F109-V113 HydrophobicContact CD1-CG2 4.24Å; F109-V113 HydrophobicContact CE1-CG2 3.84Å; F109-V113 HydrophobicContact CE2-CG2 4.25Å; F109-V113 HydrophobicContact CZ-CG2 3.84Å; F109-V113 WeakPolarHBondContact O-CG2 3.39Å; F109-V113 PolarHBondContact O-N 2.93Å; F109-F307 HydrophobicContact CB-CE1 3.98Å; F109-F307 HydrophobicContact CB-CZ 4.2Å; F109-F307 HydrophobicContact CD2-CZ 4.26Å; F109-V311 HydrophobicContact CD2-CG1 3.81Å; F109-V311 HydrophobicContact CD2-CG2 3.98Å; F109-V311 HydrophobicContact CE2-CG1 4.02Å; F109-V311 HydrophobicContact CE2-CG2 4.49Å; F109-V311 HydrophobicContact CG-CG1 4.48Å; F109-V311 WeakPolarHBondContact O-CG1 3.38Å
110	F	96.6	Very high	94.2	Very high	103 Å²	103	36 Å²	36	45%	0.452	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-36.5	176.7	-71.6	-58.7	0	0	0	112.9	S106 V107 G112 V113 F114 L239	S106-F110 WeakPolarHBondContact O-CD2 3.36Å; S106-F110 PolarHBondContact O-N 3.33Å; V107-F110 PolarHBondContact O-N 2.95Å; F110-G112 VanDerWaalsContact C-N 3.34Å; F110-G112 PolarHBondContact O-N 2.87Å; F110-V113 PolarHBondContact O-N 2.84Å; F110-F114 HydrophobicContact CB-CD2 4.12Å; F110-F114 HydrophobicContact CB-CE2 4.16Å; F110-F114 HydrophobicContact CD1-CE2 4.14Å; F110-F114 HydrophobicContact CG-CE2 4.46Å; F110-F114 WeakPolarHBondContact O-CB 3.49Å; F110-F114 WeakPolarHBondContact O-CD2 3.32Å; F110-F114 PolarHBondContact O-N 3.34Å; F110-L239 HydrophobicContact CB-CD1 4.36Å
111	I	97.1	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-47.6	172.6	-72.5	166.4	0	0	0	110.3	V107 L108 F109 T115 A236 L239 F266	V107-I111 HydrophobicContact CG1-CD1 3.75Å; V107-I111 HydrophobicContact CG1-CG1 4.35Å; V107-I111 VanDerWaalsContact O-CG1 3.27Å; V107-I111 WeakPolarHBondContact O-CG1 3.2Å; V107-I111 PolarHBondContact O-N 2.85Å; L108-I111 PolarHBondContact O-N 2.8Å; F109-I111 PolarHBondContact O-N 2.91Å; I111-T115 WeakPolarHBondContact O-CB 3.39Å; I111-T115 PolarHBondContact O-N 3.02Å; I111-T115 PolarHBondContact O-OG1 3.23Å; I111-A236 HydrophobicContact CD1-CB 3.69Å; I111-A236 HydrophobicContact CG1-CB 4.07Å; I111-A236 HydrophobicContact CG2-CB 4.08Å; I111-L239 HydrophobicContact CG1-CB 4.32Å; I111-L239 HydrophobicContact CG1-CD1 3.84Å; I111-F266 HydrophobicContact CD1-CB 4.13Å; I111-F266 HydrophobicContact CD1-CD1 3.79Å; I111-F266 HydrophobicContact CD1-CG 4.34Å
112	G	97.1	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-54.1	174.8	0	0	0	0	0	112	L108 F109 F110 F114 T115 G116 A308 S312	L108-G112 PolarHBondContact O-N 3.01Å; F109-G112 PolarHBondContact O-N 2.94Å; F110-G112 VanDerWaalsContact C-N 3.34Å; F110-G112 PolarHBondContact O-N 2.87Å; G112-F114 PolarHBondContact O-N 2.96Å; G112-T115 PolarHBondContact O-N 2.89Å; G112-G116 PolarHBondContact O-N 3.44Å; G112-A308 WeakPolarHBondContact CA-O 3.24Å; G112-S312 WeakPolarHBondContact O-CA 3.28Å
113	V	97.4	Very high	94.9	Very high	33 Å²	33	34.9 Å²	34.9	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-50.2	-178	172.7	0	0	0	0	112.2	F109 F110 T115 L117 V311 T315	F109-V113 HydrophobicContact CD1-CG2 4.24Å; F109-V113 HydrophobicContact CE1-CG2 3.84Å; F109-V113 HydrophobicContact CE2-CG2 4.25Å; F109-V113 HydrophobicContact CZ-CG2 3.84Å; F109-V113 WeakPolarHBondContact O-CG2 3.39Å; F109-V113 PolarHBondContact O-N 2.93Å; F110-V113 PolarHBondContact O-N 2.84Å; V113-T115 VanDerWaalsContact C-N 3.34Å; V113-T115 PolarHBondContact O-N 3.43Å; V113-L117 VanDerWaalsContact O-CB 3.24Å; V113-L117 WeakPolarHBondContact O-CB 3.48Å; V113-L117 PolarHBondContact O-N 2.98Å; V113-V311 HydrophobicContact CG2-CG1 3.76Å; V113-T315 HydrophobicContact CG1-CG2 4.29Å
114	F	97	Very high	94.9	Very high	94 Å²	94	39.5 Å²	39.5	41%	0.412	20%	0.195	S	C	.	.	H	α-helix	trans	-68.3	-33.1	-179.5	-74.9	-64.3	0	0	0	112.4	F110 G112 S118 I235 L239	F110-F114 HydrophobicContact CB-CD2 4.12Å; F110-F114 HydrophobicContact CB-CE2 4.16Å; F110-F114 HydrophobicContact CD1-CE2 4.14Å; F110-F114 HydrophobicContact CG-CE2 4.46Å; F110-F114 WeakPolarHBondContact O-CB 3.49Å; F110-F114 WeakPolarHBondContact O-CD2 3.32Å; F110-F114 PolarHBondContact O-N 3.34Å; G112-F114 PolarHBondContact O-N 2.96Å; F114-S118 WeakPolarHBondContact O-CB 3.22Å; F114-S118 PolarHBondContact O-N 3.25Å; F114-S118 PolarHBondContact O-OG 2.63Å; F114-I235 HydrophobicContact CB-CG2 3.81Å; F114-L239 HydrophobicContact CB-CD1 4.47Å; F114-L239 HydrophobicContact CD2-CD1 3.72Å; F114-L239 HydrophobicContact CD2-CD2 4.19Å; F114-L239 HydrophobicContact CE2-CD1 4.49Å; F114-L239 HydrophobicContact CE2-CD2 4.22Å; F114-L239 HydrophobicContact CG-CD1 4.48Å
115	T	96.9	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-52.2	175.6	-55.9	0	0	0	0	110.7	I111 G112 V113 L117 S118 A119 M228 A273	I111-T115 WeakPolarHBondContact O-CB 3.39Å; I111-T115 PolarHBondContact O-N 3.02Å; I111-T115 PolarHBondContact O-OG1 3.23Å; G112-T115 PolarHBondContact O-N 2.89Å; V113-T115 VanDerWaalsContact C-N 3.34Å; V113-T115 PolarHBondContact O-N 3.43Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 2.78Å; T115-S118 PolarHBondContact O-N 3.13Å; T115-S118 PolarHBondContact O-OG 2.86Å; T115-A119 PolarHBondContact O-N 3.31Å; T115-M228 HydrophobicContact CG2-CE 3.62Å; T115-M228 WeakPolarHBondContact O-CE 3.48Å; T115-A273 HydrophobicContact CG2-CB 4.09Å
116	G	95.3	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-37.3	177.1	0	0	0	0	0	113.8	G112 A119 C120 S312	G112-G116 PolarHBondContact O-N 3.44Å; G116-A119 PolarHBondContact O-N 3.45Å; G116-C120 PolarHBondContact O-N 3.2Å; G116-S312 PolarHBondContact N-OG 3.23Å
117	L	95	Very high	94.8	Very high	59 Å²	59	37.3 Å²	37.3	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-64.4	-45.9	173.3	-179.7	62.6	0	0	0	111.7	V113 T115 A119 C120 V121 F319	V113-L117 VanDerWaalsContact O-CB 3.24Å; V113-L117 WeakPolarHBondContact O-CB 3.48Å; V113-L117 PolarHBondContact O-N 2.98Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 2.78Å; L117-A119 VanDerWaalsContact C-N 3.32Å; L117-A119 PolarHBondContact O-N 3.33Å; L117-C120 WeakPolarHBondContact O-CB 3.23Å; L117-C120 PolarHBondContact O-N 2.94Å; L117-V121 WeakPolarHBondContact O-CG2 3.31Å; L117-V121 PolarHBondContact O-N 3.32Å; L117-F319 HydrophobicContact CD1-CD1 4.47Å; L117-F319 HydrophobicContact CD1-CD2 4.19Å; L117-F319 HydrophobicContact CD1-CE1 4.21Å; L117-F319 HydrophobicContact CD1-CE2 3.93Å; L117-F319 HydrophobicContact CD1-CG 4.47Å; L117-F319 HydrophobicContact CD1-CZ 3.94Å
118	S	96.1	Very high	94.8	Very high	27 Å²	27	39.1 Å²	39.1	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-35.5	178.7	67.4	0	0	0	0	112.6	F114 T115 V121 I122 M228	F114-S118 WeakPolarHBondContact O-CB 3.22Å; F114-S118 PolarHBondContact O-N 3.25Å; F114-S118 PolarHBondContact O-OG 2.63Å; T115-S118 PolarHBondContact O-N 3.13Å; T115-S118 PolarHBondContact O-OG 2.86Å; S118-V121 PolarHBondContact O-N 3.25Å; S118-I122 WeakPolarHBondContact O-CG1 3.29Å; S118-I122 PolarHBondContact O-N 3.37Å; S118-I122 VanDerWaalsContact O-N 3.12Å; S118-M228 WeakPolarHBondContact OG-CE 3.35Å
119	A	94.9	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-49.1	169.6	0	0	0	0	0	111.2	T115 G116 L117 V121 I122 D123 M228 A277 L316 L335	T115-A119 PolarHBondContact O-N 3.31Å; G116-A119 PolarHBondContact O-N 3.45Å; L117-A119 VanDerWaalsContact C-N 3.32Å; L117-A119 PolarHBondContact O-N 3.33Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.02Å; A119-I122 PolarHBondContact O-N 2.91Å; A119-D123 PolarHBondContact O-N 3.21Å; A119-M228 HydrophobicContact CB-CE 4.15Å; A119-M228 HydrophobicContact CB-CG 4.35Å; A119-M228 HydrophobicContact CB-SD 3.62Å; A119-A277 HydrophobicContact CB-CB 3.82Å; A119-L316 HydrophobicContact CB-CD1 4.29Å; A119-L316 HydrophobicContact CB-CD2 4.43Å; A119-L335 HydrophobicContact CB-CD1 4.18Å; A119-L335 HydrophobicContact CB-CD2 4.08Å; A119-L335 HydrophobicContact CB-CG 4.28Å
120	C	92.5	Very high	94.5	Very high	15 Å²	15	38 Å²	38	10%	0.101	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-39.5	179.5	-168.1	0	0	0	0	112.9	G116 L117 D123 Y124 L316 F319	G116-C120 PolarHBondContact O-N 3.2Å; L117-C120 WeakPolarHBondContact O-CB 3.23Å; L117-C120 PolarHBondContact O-N 2.94Å; C120-D123 PolarHBondContact O-N 2.93Å; C120-Y124 VanDerWaalsContact O-CB 3.3Å; C120-Y124 WeakPolarHBondContact O-CB 3.48Å; C120-Y124 PolarHBondContact O-N 3.41Å; C120-L316 HydrophobicContact CB-CD1 3.72Å; C120-F319 HydrophobicContact CB-CB 4.22Å; C120-F319 VanDerWaalsContact SG-CB 3.58Å
121	V	94.4	Very high	94.1	Very high	84 Å²	84	38.7 Å²	38.7	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-64.5	-41.5	176.4	171.3	0	0	0	0	111.3	L117 S118 A119 A125	L117-V121 WeakPolarHBondContact O-CG2 3.31Å; L117-V121 PolarHBondContact O-N 3.32Å; S118-V121 PolarHBondContact O-N 3.25Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.02Å; V121-A125 VanDerWaalsContact O-CB 3.29Å; V121-A125 WeakPolarHBondContact O-CB 3.49Å; V121-A125 PolarHBondContact O-N 3.23Å
122	I	94.7	Very high	93.9	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.062	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-44.4	176.2	-69.9	166	0	0	0	110.8	S118 A119 A125 I126 V212 I213 K224 M228 I231	S118-I122 WeakPolarHBondContact O-CG1 3.29Å; S118-I122 PolarHBondContact O-N 3.37Å; S118-I122 VanDerWaalsContact O-N 3.12Å; A119-I122 PolarHBondContact O-N 2.91Å; I122-A125 PolarHBondContact O-N 2.9Å; I122-I126 HydrophobicContact CG2-CD1 3.69Å; I122-I126 WeakPolarHBondContact O-CB 3.15Å; I122-I126 VanDerWaalsContact O-CG1 3.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.42Å; I122-I126 PolarHBondContact O-N 3.4Å; I122-V212 HydrophobicContact CD1-CG1 4.44Å; I122-V212 HydrophobicContact CG2-CG1 4.16Å; I122-I213 HydrophobicContact CB-CG1 4.38Å; I122-I213 HydrophobicContact CG1-CD1 4.15Å; I122-I213 HydrophobicContact CG1-CG1 4.26Å; I122-I213 HydrophobicContact CG2-CG1 4.07Å; I122-K224 HydrophobicContact CG2-CB 4.4Å; I122-K224 HydrophobicContact CG2-CD 4.44Å; I122-M228 HydrophobicContact CD1-SD 4.41Å; I122-I231 HydrophobicContact CD1-CD1 3.75Å
123	D	91.3	Very high	93.7	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-50.1	178.4	-149.3	24	0	0	0	111.6	A119 C120 A125 I126 E127 K224 K320 L335	A119-D123 PolarHBondContact O-N 3.21Å; C120-D123 PolarHBondContact O-N 2.93Å; D123-A125 PolarHBondContact O-N 2.95Å; D123-I126 PolarHBondContact O-N 2.89Å; D123-E127 WeakPolarHBondContact O-CB 3.47Å; D123-E127 PolarHBondContact O-N 2.87Å; D123-K224 WeakPolarHBondContact OD1-CE 3.42Å; D123-K224 IonicContact OD1-NZ 2.86Å; D123-K224 PolarHBondContact OD1-NZ 3.1Å; D123-K320 WeakPolarHBondContact OD2-CE 3.3Å; D123-K320 IonicContact OD2-NZ 2.72Å; D123-K320 PolarHBondContact OD2-NZ 2.76Å; D123-L335 HydrophobicContact CB-CD2 3.54Å
124	Y	91.6	Very high	93.3	Very high	134 Å²	134	46.7 Å²	46.7	53%	0.525	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-38.9	-179	-177.2	-102.1	0	0	0	112.5	C120 N128 T323	C120-Y124 VanDerWaalsContact O-CB 3.3Å; C120-Y124 WeakPolarHBondContact O-CB 3.48Å; C120-Y124 PolarHBondContact O-N 3.41Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.18Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.34Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.38Å; Y124-N128 WeakPolarHBondContact O-CB 3.47Å; Y124-N128 PolarHBondContact O-N 3.26Å; Y124-N128 VanDerWaalsContact O-N 3.09Å; Y124-N128 PolarHBondContact O-ND2 3.16Å; Y124-T323 HydrophobicContact CD2-CG2 3.69Å; Y124-T323 HydrophobicContact CE2-CG2 3.68Å
125	A	94.7	Very high	92.9	Very high	24 Å²	24	48.6 Å²	48.6	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-48	175.2	0	0	0	0	0	111.5	V121 I122 D123 N128 I129 I213	V121-A125 VanDerWaalsContact O-CB 3.29Å; V121-A125 WeakPolarHBondContact O-CB 3.49Å; V121-A125 PolarHBondContact O-N 3.23Å; I122-A125 PolarHBondContact O-N 2.9Å; D123-A125 PolarHBondContact O-N 2.95Å; A125-N128 PolarHBondContact O-N 3.39Å; A125-I129 WeakPolarHBondContact O-CB 3.5Å; A125-I129 WeakPolarHBondContact O-CD1 3.42Å; A125-I129 VanDerWaalsContact O-CG1 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.04Å; A125-I129 PolarHBondContact O-N 3.31Å; A125-I213 HydrophobicContact CB-CD1 3.81Å; A125-I213 HydrophobicContact CB-CG1 4.16Å; A125-I213 HydrophobicContact CB-CG2 3.89Å
126	I	93.6	Very high	92.5	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-46.4	178.2	-70.8	168	0	0	0	110.8	I122 D123 N128 S130 I213 V216 K224	I122-I126 HydrophobicContact CG2-CD1 3.69Å; I122-I126 WeakPolarHBondContact O-CB 3.15Å; I122-I126 VanDerWaalsContact O-CG1 3.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.42Å; I122-I126 PolarHBondContact O-N 3.4Å; D123-I126 PolarHBondContact O-N 2.89Å; I126-N128 PolarHBondContact O-N 2.86Å; I126-S130 WeakPolarHBondContact O-CB 3.36Å; I126-S130 PolarHBondContact O-N 2.89Å; I126-S130 PolarHBondContact O-OG 3.39Å; I126-I213 HydrophobicContact CD1-CG1 4.42Å; I126-I213 HydrophobicContact CG1-CB 4.18Å; I126-I213 HydrophobicContact CG1-CG1 4.12Å; I126-I213 HydrophobicContact CG1-CG2 4.1Å; I126-V216 HydrophobicContact CD1-CB 4Å; I126-V216 HydrophobicContact CD1-CG1 4.2Å; I126-V216 HydrophobicContact CD1-CG2 4.24Å; I126-V216 HydrophobicContact CG1-CB 4.4Å; I126-V216 HydrophobicContact CG2-CB 4.42Å; I126-V216 HydrophobicContact CG2-CG1 3.71Å; I126-K224 HydrophobicContact CD1-CB 4.19Å; I126-K224 HydrophobicContact CD1-CD 3.69Å
127	E	89.1	Confident	92.2	Very high	74 Å²	74	51.8 Å²	51.8	35%	0.346	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-44.8	-179.2	179.3	154.4	-118.7	0	0	111.3	D123 K131 R449	D123-E127 WeakPolarHBondContact O-CB 3.47Å; D123-E127 PolarHBondContact O-N 2.87Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 PolarHBondContact O-N 3.31Å; E127-R449 IonicContact OE1-CZ 2.63Å; E127-R449 IonicContact OE1-NH2 3.87Å; E127-R449 PolarHBondContact OE1-NH2 2.85Å
128	N	92.5	Very high	91.8	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-67.3	-50.7	179.1	-77.2	-65.6	0	0	0	112.9	Y124 A125 I126 S130 K131 Y132	Y124-N128 WeakPolarHBondContact CD2-ND2 3.18Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.34Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.38Å; Y124-N128 WeakPolarHBondContact O-CB 3.47Å; Y124-N128 PolarHBondContact O-N 3.26Å; Y124-N128 VanDerWaalsContact O-N 3.09Å; Y124-N128 PolarHBondContact O-ND2 3.16Å; A125-N128 PolarHBondContact O-N 3.39Å; I126-N128 PolarHBondContact O-N 2.86Å; N128-S130 VanDerWaalsContact C-N 3.29Å; N128-S130 PolarHBondContact O-N 2.93Å; N128-K131 PolarHBondContact O-N 3.02Å; N128-Y132 VanDerWaalsContact O-CD2 3.26Å; N128-Y132 WeakPolarHBondContact O-CD2 3.42Å; N128-Y132 PolarHBondContact O-N 2.83Å
129	I	94.6	Very high	91.4	Very high	64 Å²	64	55.9 Å²	55.9	33%	0.328	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-43.9	-179.6	-63.8	165.6	0	0	0	110	A125 Y132 K133 I213	A125-I129 WeakPolarHBondContact O-CB 3.5Å; A125-I129 WeakPolarHBondContact O-CD1 3.42Å; A125-I129 VanDerWaalsContact O-CG1 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.04Å; A125-I129 PolarHBondContact O-N 3.31Å; I129-Y132 PolarHBondContact O-N 2.88Å; I129-K133 WeakPolarHBondContact O-CB 3.45Å; I129-K133 PolarHBondContact O-N 3.09Å; I129-I213 HydrophobicContact CD1-CG2 3.76Å
130	S	91.3	Very high	91	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-43.1	178	-52.8	0	0	0	0	111.8	I126 N128 Y132 K133 Y134 S217	I126-S130 WeakPolarHBondContact O-CB 3.36Å; I126-S130 PolarHBondContact O-N 2.89Å; I126-S130 PolarHBondContact O-OG 3.39Å; N128-S130 VanDerWaalsContact C-N 3.29Å; N128-S130 PolarHBondContact O-N 2.93Å; S130-Y132 PolarHBondContact O-N 3.39Å; S130-K133 PolarHBondContact O-N 2.66Å; S130-Y134 WeakPolarHBondContact O-CD2 3.45Å; S130-Y134 PolarHBondContact O-N 2.95Å; S130-S217 PolarHBondContact OG-OG 3.28Å
131	K	89.8	Confident	90.6	Very high	118 Å²	118	56.7 Å²	56.7	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-42.2	177.6	-176.5	-178.9	-177	179.3	0	112.1	E127 N128 K135 F425	E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 PolarHBondContact O-N 3.31Å; N128-K131 PolarHBondContact O-N 3.02Å; K131-K135 WeakPolarHBondContact O-CB 3.49Å; K131-K135 PolarHBondContact O-N 2.9Å; K131-K135 VanDerWaalsContact O-N 3.08Å; K131-F425 HydrophobicContact CG-CE2 4.42Å; K131-F425 HydrophobicContact CG-CZ 4.04Å
132	Y	91.6	Very high	90	Very high	166 Å²	166	56.8 Å²	56.8	65%	0.651	26%	0.263	S	S	*	.	H	α-helix	trans	-65.5	-48.2	172.9	-79.8	-69.7	0	0	0	111.6	N128 I129 S130 K135 S136	N128-Y132 VanDerWaalsContact O-CD2 3.26Å; N128-Y132 WeakPolarHBondContact O-CD2 3.42Å; N128-Y132 PolarHBondContact O-N 2.83Å; I129-Y132 PolarHBondContact O-N 2.88Å; S130-Y132 PolarHBondContact O-N 3.39Å; Y132-K135 PolarHBondContact O-N 3.04Å; Y132-S136 WeakPolarHBondContact O-CB 3.17Å; Y132-S136 PolarHBondContact O-N 2.66Å; Y132-S136 PolarHBondContact O-OG 3.34Å
133	K	92.6	Very high	89.5	Confident	16 Å²	16	61.9 Å²	61.9	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-55.9	178.5	-173.6	-176	74.5	175.8	0	112.4	I129 S130 K135 S136 V137 V160 N161 S217	I129-K133 WeakPolarHBondContact O-CB 3.45Å; I129-K133 PolarHBondContact O-N 3.09Å; S130-K133 PolarHBondContact O-N 2.66Å; K133-K135 PolarHBondContact O-N 3.16Å; K133-S136 PolarHBondContact O-N 2.86Å; K133-V137 WeakPolarHBondContact O-CG2 3.4Å; K133-V137 PolarHBondContact O-N 2.86Å; K133-V160 HydrophobicContact CD-CG1 3.96Å; K133-V160 HydrophobicContact CG-CG1 4.1Å; K133-N161 WeakPolarHBondContact CD-OD1 3.37Å; K133-N161 PolarHBondContact NZ-OD1 2.95Å; K133-S217 PolarHBondContact NZ-O 3.05Å
134	Y	89.1	Confident	89.1	Confident	18 Å²	18	64.5 Å²	64.5	7%	0.071	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-37.6	-177.4	-68.2	-65	0	0	0	111.7	S130 S138 F444 S445 T446	S130-Y134 WeakPolarHBondContact O-CD2 3.45Å; S130-Y134 PolarHBondContact O-N 2.95Å; Y134-S138 WeakPolarHBondContact O-CB 3.34Å; Y134-S138 PolarHBondContact O-N 2.7Å; Y134-F444 AromaticContact CD1-CD1 3.97Å; Y134-F444 HydrophobicContact CD1-CD1 3.97Å; Y134-F444 HydrophobicContact CD1-CD2 4.01Å; Y134-F444 AromaticContact CD1-CE1 3.79Å; Y134-F444 HydrophobicContact CD1-CE1 3.79Å; Y134-F444 AromaticContact CD1-CE2 3.85Å; Y134-F444 HydrophobicContact CD1-CE2 3.85Å; Y134-F444 HydrophobicContact CD1-CG 4.08Å; Y134-F444 AromaticContact CD1-CZ 3.74Å; Y134-F444 HydrophobicContact CD1-CZ 3.74Å; Y134-F444 WeakPolarHBondContact CD1-O 3.26Å; Y134-F444 HydrophobicContact CE1-CD2 4.19Å; Y134-F444 HydrophobicContact CE1-CE2 4.35Å; Y134-F444 HydrophobicContact CE1-CG 4.35Å; Y134-F444 WeakPolarHBondContact CE1-O 3.44Å; Y134-F444 HydrophobicContact CG-CE1 4.43Å; Y134-S445 PolarHBondContact OH-O 3.04Å; Y134-T446 HydrophobicContact CE2-CG2 4.12Å
135	K	89.5	Confident	88.2	Confident	134 Å²	134	60.2 Å²	60.2	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-48.5	174.2	-176.4	-177.6	177	-174.6	0	111.9	K131 Y132 K133 W139 F425	K131-K135 WeakPolarHBondContact O-CB 3.49Å; K131-K135 PolarHBondContact O-N 2.9Å; K131-K135 VanDerWaalsContact O-N 3.08Å; Y132-K135 PolarHBondContact O-N 3.04Å; K133-K135 PolarHBondContact O-N 3.16Å; K135-W139 WeakPolarHBondContact O-CB 3.36Å; K135-W139 PolarHBondContact O-N 3.07Å; K135-F425 HydrophobicContact CB-CE1 3.96Å; K135-F425 HydrophobicContact CB-CZ 4.16Å; K135-F425 HydrophobicContact CG-CE1 4.35Å
136	S	89.1	Confident	87	Confident	63 Å²	63	68.4 Å²	68.4	44%	0.441	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-47.5	-179.2	-68.1	0	0	0	0	111.9	Y132 K133 W139 L140	Y132-S136 WeakPolarHBondContact O-CB 3.17Å; Y132-S136 PolarHBondContact O-N 2.66Å; Y132-S136 PolarHBondContact O-OG 3.34Å; K133-S136 PolarHBondContact O-N 2.86Å; S136-W139 PolarHBondContact O-N 3.49Å; S136-L140 WeakPolarHBondContact O-CD1 3.35Å; S136-L140 PolarHBondContact O-N 3.34Å; S136-L140 VanDerWaalsContact O-N 3.1Å
137	V	89.2	Confident	86.1	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-39	179	175.6	0	0	0	0	111.4	K133 L140 I141 W157 F444	K133-V137 WeakPolarHBondContact O-CG2 3.4Å; K133-V137 PolarHBondContact O-N 2.86Å; V137-L140 PolarHBondContact O-N 2.88Å; V137-I141 HydrophobicContact CG1-CD1 3.84Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.4Å; V137-I141 PolarHBondContact O-N 3.12Å; V137-W157 HydrophobicContact CG1-CB 4.05Å; V137-W157 HydrophobicContact CG1-CG 4.25Å; V137-W157 HydrophobicContact CG2-CB 4.13Å; V137-W157 HydrophobicContact CG2-CG 4.44Å; V137-F444 HydrophobicContact CB-CE2 4.16Å; V137-F444 HydrophobicContact CB-CZ 3.88Å; V137-F444 HydrophobicContact CG1-CE2 3.64Å; V137-F444 HydrophobicContact CG1-CZ 3.75Å
138	S	86.6	Confident	85.3	Confident	12 Å²	12	74.9 Å²	74.9	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-47.1	174.7	176.9	0	0	0	0	112.3	Y134 L140 I141 I142	Y134-S138 WeakPolarHBondContact O-CB 3.34Å; Y134-S138 PolarHBondContact O-N 2.7Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 3.12Å; S138-I141 PolarHBondContact O-N 2.86Å; S138-I142 WeakPolarHBondContact O-CG1 3.36Å; S138-I142 PolarHBondContact O-N 2.69Å
139	W	87.1	Confident	84.7	Confident	161 Å²	161	80.4 Å²	80.4	61%	0.61	38%	0.376	S	S	*	.	H	α-helix	trans	-59.5	-43.2	176.8	178.6	80.9	0	0	0	111.9	K135 S136 I142 H143	K135-W139 WeakPolarHBondContact O-CB 3.36Å; K135-W139 PolarHBondContact O-N 3.07Å; S136-W139 PolarHBondContact O-N 3.49Å; W139-I142 PolarHBondContact O-N 3.14Å; W139-H143 WeakPolarHBondContact O-CB 3.45Å; W139-H143 PolarHBondContact O-N 3Å
140	L	87.1	Confident	84	Confident	29 Å²	29	78.5 Å²	78.5	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-43.1	174.7	-96.2	118.3	0	0	0	112.9	S136 V137 S138 I142 H143 Y144 P153 L156	S136-L140 WeakPolarHBondContact O-CD1 3.35Å; S136-L140 PolarHBondContact O-N 3.34Å; S136-L140 VanDerWaalsContact O-N 3.1Å; V137-L140 PolarHBondContact O-N 2.88Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 3.12Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 2.82Å; L140-H143 PolarHBondContact O-N 3.1Å; L140-Y144 HydrophobicContact CD2-CD2 4.25Å; L140-Y144 HydrophobicContact CD2-CE2 4.03Å; L140-Y144 WeakPolarHBondContact O-CD2 3.34Å; L140-Y144 PolarHBondContact O-N 2.95Å; L140-P153 HydrophobicContact CB-CB 4.17Å; L140-P153 HydrophobicContact CB-CG 4.1Å; L140-L156 HydrophobicContact CD1-CD2 3.82Å; L140-L156 HydrophobicContact CD2-CD2 4.27Å
141	I	84.2	Confident	83.6	Confident	3 Å²	3	81.8 Å²	81.8	2%	0.015	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-43.8	177.2	-70	170.1	0	0	0	110.9	V137 S138 S145 P153 F406 L427 M429 F444	V137-I141 HydrophobicContact CG1-CD1 3.84Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.4Å; V137-I141 PolarHBondContact O-N 3.12Å; S138-I141 PolarHBondContact O-N 2.86Å; I141-S145 WeakPolarHBondContact O-CA 3.07Å; I141-S145 PolarHBondContact O-N 2.79Å; I141-S145 VanDerWaalsContact O-N 3.08Å; I141-P153 HydrophobicContact CG1-CB 3.56Å; I141-P153 HydrophobicContact CG1-CG 4.24Å; I141-F406 HydrophobicContact CD1-CE2 4.49Å; I141-L427 HydrophobicContact CB-CD1 4.24Å; I141-L427 HydrophobicContact CD1-CD1 4.1Å; I141-L427 HydrophobicContact CD1-CD2 4.11Å; I141-L427 HydrophobicContact CG2-CD1 4.03Å; I141-L427 HydrophobicContact CG2-CD2 4.33Å; I141-L427 HydrophobicContact CG2-CG 4.29Å; I141-M429 HydrophobicContact CG2-SD 4.46Å; I141-F444 HydrophobicContact CD1-CE2 4.44Å
142	I	80.3	Confident	83.5	Confident	85 Å²	85	79 Å²	79	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-46	178.8	-66.6	165.8	0	0	0	110.5	S138 W139 L140 Y144 S145	S138-I142 WeakPolarHBondContact O-CG1 3.36Å; S138-I142 PolarHBondContact O-N 2.69Å; W139-I142 PolarHBondContact O-N 3.14Å; L140-I142 VanDerWaalsContact C-N 3.34Å; L140-I142 PolarHBondContact O-N 2.82Å; I142-Y144 VanDerWaalsContact C-N 3.34Å; I142-Y144 PolarHBondContact O-N 3.09Å; I142-S145 WeakPolarHBondContact O-CB 3.3Å; I142-S145 PolarHBondContact O-N 2.85Å; I142-S145 PolarHBondContact O-OG 2.92Å
143	H	84.3	Confident	83.3	Confident	119 Å²	119	71.1 Å²	71.1	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-64.8	-32.2	-179.2	-169	-61.3	0	0	0	113.7	W139 L140	W139-H143 WeakPolarHBondContact O-CB 3.45Å; W139-H143 PolarHBondContact O-N 3Å; L140-H143 PolarHBondContact O-N 3.1Å
144	Y	82.7	Confident	83.1	Confident	75 Å²	75	70.9 Å²	70.9	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-102.6	7.8	-179.1	-71.3	-75.2	0	0	0	114.4	L140 I142 H146 S147 W149 P153	L140-Y144 HydrophobicContact CD2-CD2 4.25Å; L140-Y144 HydrophobicContact CD2-CE2 4.03Å; L140-Y144 WeakPolarHBondContact O-CD2 3.34Å; L140-Y144 PolarHBondContact O-N 2.95Å; I142-Y144 VanDerWaalsContact C-N 3.34Å; I142-Y144 PolarHBondContact O-N 3.09Å; Y144-H146 VanDerWaalsContact C-N 3.34Å; Y144-H146 PolarHBondContact O-N 2.86Å; Y144-S147 PolarHBondContact O-N 2.7Å; Y144-W149 HydrophobicContact CD1-CB 3.77Å; Y144-W149 HydrophobicContact CE1-CB 4.21Å; Y144-P153 HydrophobicContact CD2-CG 4.37Å
145	S	73.1	Confident	83.3	Confident	44 Å²	44	77.7 Å²	77.7	31%	0.308	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-41	-173.4	52.7	0	0	0	0	115.4	I141 I142	I141-S145 WeakPolarHBondContact O-CA 3.07Å; I141-S145 PolarHBondContact O-N 2.79Å; I141-S145 VanDerWaalsContact O-N 3.08Å; I142-S145 WeakPolarHBondContact O-CB 3.3Å; I142-S145 PolarHBondContact O-N 2.85Å; I142-S145 PolarHBondContact O-OG 2.92Å
146	H	70.5	Confident	83.4	Confident	196 Å²	196	74.6 Å²	74.6	91%	0.907	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	6.7	-179.6	-79.6	-84.3	0	0	0	114.8	Y144	Y144-H146 VanDerWaalsContact C-N 3.34Å; Y144-H146 PolarHBondContact O-N 2.86Å
147	S	74.4	Confident	83.6	Confident	52 Å²	52	72 Å²	72	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-115.3	151.1	-173.6	-174.5	0	0	0	0	112.2	Y144 W149 I150	Y144-S147 PolarHBondContact O-N 2.7Å; S147-W149 PolarHBondContact O-N 3.44Å; S147-W149 PolarHBondContact OG-N 2.82Å; S147-I150 PolarHBondContact O-N 3.44Å; S147-I150 VanDerWaalsContact O-N 3.17Å
148	L	71.7	Confident	83.8	Confident	163 Å²	163	72.7 Å²	72.7	85%	0.853	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-55.7	-18.6	168.6	-87.2	87.8	0	0	0	112.7	I150	L148-I150 PolarHBondContact O-N 2.95Å
149	W	79.6	Confident	84.2	Confident	163 Å²	163	74.1 Å²	74.1	62%	0.617	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-76.2	5	-179.3	-64.3	62.8	0	0	0	113.7	Y144 S147 S151 V152 P153	Y144-W149 HydrophobicContact CD1-CB 3.77Å; Y144-W149 HydrophobicContact CE1-CB 4.21Å; S147-W149 PolarHBondContact O-N 3.44Å; S147-W149 PolarHBondContact OG-N 2.82Å; W149-S151 PolarHBondContact O-N 2.86Å; W149-V152 HydrophobicContact CE3-CG2 4.14Å; W149-V152 WeakPolarHBondContact O-CB 3.39Å; W149-V152 PolarHBondContact O-N 3.32Å; W149-P153 WeakPolarHBondContact O-CD 3.44Å
150	I	80	Confident	84.6	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.118	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-58.5	-17.2	174.7	-159.5	168	0	0	0	113.8	S147 L148 V152 P153 F406 M429	S147-I150 PolarHBondContact O-N 3.44Å; S147-I150 VanDerWaalsContact O-N 3.17Å; L148-I150 PolarHBondContact O-N 2.95Å; I150-V152 VanDerWaalsContact C-N 3.33Å; I150-P153 WeakPolarHBondContact O-CD 3.44Å; I150-F406 WeakPolarHBondContact O-CZ 3.37Å; I150-M429 HydrophobicContact CD1-CE 4.05Å
151	S	82.7	Confident	85	Confident	74 Å²	74	67.5 Å²	67.5	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-27.3	169.7	55	0	0	0	0	114.1	W149 G154 F155	W149-S151 PolarHBondContact O-N 2.86Å; S151-G154 PolarHBondContact O-N 3.42Å; S151-F155 PolarHBondContact O-N 3.47Å
152	V	87.9	Confident	85.6	Confident	60 Å²	60	68.1 Å²	68.1	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-47.1	-178.5	176.2	0	0	0	0	112.3	W149 I150 G154 F155 L156	W149-V152 HydrophobicContact CE3-CG2 4.14Å; W149-V152 WeakPolarHBondContact O-CB 3.39Å; W149-V152 PolarHBondContact O-N 3.32Å; I150-V152 VanDerWaalsContact C-N 3.33Å; V152-G154 VanDerWaalsContact C-N 3.27Å; V152-G154 PolarHBondContact O-N 3.07Å; V152-F155 PolarHBondContact O-N 3.09Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 PolarHBondContact O-N 3.06Å
153	P	87.9	Confident	86.4	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-41.1	168.7	-22.8	25.1	0	0	0	113.9	L140 I141 Y144 W149 I150 W157	L140-P153 HydrophobicContact CB-CB 4.17Å; L140-P153 HydrophobicContact CB-CG 4.1Å; I141-P153 HydrophobicContact CG1-CB 3.56Å; I141-P153 HydrophobicContact CG1-CG 4.24Å; Y144-P153 HydrophobicContact CD2-CG 4.37Å; W149-P153 WeakPolarHBondContact O-CD 3.44Å; I150-P153 WeakPolarHBondContact O-CD 3.44Å; P153-W157 WeakPolarHBondContact O-CB 3.19Å; P153-W157 PolarHBondContact O-N 3.35Å
154	G	89	Confident	87	Confident	10 Å²	10	66.4 Å²	66.4	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-45.6	177.7	0	0	0	0	0	112.8	S151 V152 W157 C158	S151-G154 PolarHBondContact O-N 3.42Å; V152-G154 VanDerWaalsContact C-N 3.27Å; V152-G154 PolarHBondContact O-N 3.07Å; G154-W157 PolarHBondContact O-N 3.48Å; G154-C158 WeakPolarHBondContact O-CB 3.43Å; G154-C158 PolarHBondContact O-N 3.24Å
155	F	91.9	Very high	87.7	Confident	162 Å²	162	62.8 Å²	62.8	71%	0.711	33%	0.329	S	S	*	.	H	α-helix	trans	-63.3	-42.4	175.9	-175.1	-95.3	0	0	0	112.1	S151 V152 W157 C158 A159	S151-F155 PolarHBondContact O-N 3.47Å; V152-F155 PolarHBondContact O-N 3.09Å; F155-W157 PolarHBondContact O-N 3.49Å; F155-C158 WeakPolarHBondContact O-CB 3.36Å; F155-C158 PolarHBondContact O-N 2.93Å; F155-A159 WeakPolarHBondContact O-CB 3.31Å; F155-A159 PolarHBondContact O-N 3.07Å
156	L	92	Very high	88.8	Confident	68 Å²	68	61.2 Å²	61.2	36%	0.356	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-43.7	175.3	179.4	64.2	0	0	0	111.7	L140 V152 A159 V160	L140-L156 HydrophobicContact CD1-CD2 3.82Å; L140-L156 HydrophobicContact CD2-CD2 4.27Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 PolarHBondContact O-N 3.06Å; L156-A159 PolarHBondContact O-N 3.46Å; L156-V160 HydrophobicContact CD1-CG2 4.24Å; L156-V160 WeakPolarHBondContact O-CG2 3.18Å; L156-V160 PolarHBondContact O-N 3.04Å
157	W	93	Very high	90.1	Very high	8 Å²	8	54.3 Å²	54.3	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-43.7	177.6	-174.5	26.7	0	0	0	111.9	V137 P153 G154 F155 N161 T402 C405 F406 M409 F444	V137-W157 HydrophobicContact CG1-CB 4.05Å; V137-W157 HydrophobicContact CG1-CG 4.25Å; V137-W157 HydrophobicContact CG2-CB 4.13Å; V137-W157 HydrophobicContact CG2-CG 4.44Å; P153-W157 WeakPolarHBondContact O-CB 3.19Å; P153-W157 PolarHBondContact O-N 3.35Å; G154-W157 PolarHBondContact O-N 3.48Å; F155-W157 PolarHBondContact O-N 3.49Å; W157-N161 WeakPolarHBondContact O-CB 3.43Å; W157-N161 PolarHBondContact O-N 3.37Å; W157-T402 HydrophobicContact CD2-CG2 4.14Å; W157-T402 HydrophobicContact CG-CG2 4.31Å; W157-C405 HydrophobicContact CH2-CB 3.89Å; W157-C405 HydrophobicContact CZ3-CB 4.25Å; W157-F406 HydrophobicContact CE3-CB 4.22Å; W157-F406 HydrophobicContact CE3-CD2 4.27Å; W157-F406 HydrophobicContact CZ3-CB 3.99Å; W157-F406 HydrophobicContact CZ3-CD2 4.42Å; W157-M409 HydrophobicContact CH2-CE 3.78Å; W157-M409 HydrophobicContact CZ3-CE 3.48Å; W157-M409 VanDerWaalsContact CZ3-CE 3.48Å; W157-F444 HydrophobicContact CD2-CE2 4.42Å; W157-F444 AromaticContact CH2-CD2 3.95Å; W157-F444 HydrophobicContact CH2-CD2 3.95Å; W157-F444 AromaticContact CZ2-CD2 3.9Å; W157-F444 HydrophobicContact CZ2-CD2 3.9Å; W157-F444 HydrophobicContact CZ2-CE2 4.34Å; W157-F444 HydrophobicContact CZ3-CD2 4.36Å
158	C	94.6	Very high	91.2	Very high	19 Å²	19	51.8 Å²	51.8	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-48.6	173.3	-178.9	0	0	0	0	112.1	G154 F155 N161 S162 S399 T402	G154-C158 WeakPolarHBondContact O-CB 3.43Å; G154-C158 PolarHBondContact O-N 3.24Å; F155-C158 WeakPolarHBondContact O-CB 3.36Å; F155-C158 PolarHBondContact O-N 2.93Å; C158-N161 PolarHBondContact O-N 3.1Å; C158-S162 WeakPolarHBondContact O-CB 3.49Å; C158-S162 PolarHBondContact O-N 3.45Å; C158-S162 PolarHBondContact O-OG 3.01Å; C158-S399 PolarHBondContact SG-OG 3.49Å; C158-S399 VanDerWaalsContact SG-OG 3.42Å; C158-T402 WeakPolarHBondContact CA-OG1 3.49Å
159	A	95	Very high	92.4	Very high	42 Å²	42	44 Å²	44	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-44.5	-179.9	0	0	0	0	0	112.4	F155 L156 F163	F155-A159 WeakPolarHBondContact O-CB 3.31Å; F155-A159 PolarHBondContact O-N 3.07Å; L156-A159 PolarHBondContact O-N 3.46Å; A159-F163 VanDerWaalsContact O-CB 3.28Å; A159-F163 WeakPolarHBondContact O-CB 3.49Å; A159-F163 PolarHBondContact O-N 3.45Å
160	V	95.2	Very high	93.3	Very high	50 Å²	50	41.4 Å²	41.4	30%	0.303	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-46.7	177.8	171	0	0	0	0	111.6	K133 L156 F163 L164	K133-V160 HydrophobicContact CD-CG1 3.96Å; K133-V160 HydrophobicContact CG-CG1 4.1Å; L156-V160 HydrophobicContact CD1-CG2 4.24Å; L156-V160 WeakPolarHBondContact O-CG2 3.18Å; L156-V160 PolarHBondContact O-N 3.04Å; V160-F163 PolarHBondContact O-N 2.98Å; V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 VanDerWaalsContact O-CG 3.32Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.75Å; V160-L164 VanDerWaalsContact O-N 3.13Å
161	N	96	Very high	94.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-48.7	177.6	-85.2	18.9	0	0	0	111.3	K133 W157 C158 F163 L164 T165 G218 S398 T402	K133-N161 WeakPolarHBondContact CD-OD1 3.37Å; K133-N161 PolarHBondContact NZ-OD1 2.95Å; W157-N161 WeakPolarHBondContact O-CB 3.43Å; W157-N161 PolarHBondContact O-N 3.37Å; C158-N161 PolarHBondContact O-N 3.1Å; N161-F163 VanDerWaalsContact C-N 3.34Å; N161-F163 PolarHBondContact O-N 3.06Å; N161-L164 PolarHBondContact O-N 2.84Å; N161-T165 PolarHBondContact O-N 3.42Å; N161-T165 PolarHBondContact O-OG1 3.07Å; N161-T165 VanDerWaalsContact O-OG1 3.09Å; N161-G218 WeakPolarHBondContact CB-O 3.45Å; N161-G218 PolarHBondContact ND2-O 3.17Å; N161-S398 PolarHBondContact O-OG 2.89Å; N161-T402 HydrophobicContact CB-CG2 3.69Å; N161-T402 WeakPolarHBondContact ND2-CG2 3.48Å
162	S	96.3	Very high	94.7	Very high	16 Å²	16	38.9 Å²	38.9	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-38.3	179.2	-67.4	0	0	0	0	112.9	C158 G166	C158-S162 WeakPolarHBondContact O-CB 3.49Å; C158-S162 PolarHBondContact O-N 3.45Å; C158-S162 PolarHBondContact O-OG 3.01Å; S162-G166 PolarHBondContact O-N 3.43Å
163	F	97	Very high	95.1	Very high	144 Å²	144	36.7 Å²	36.7	63%	0.632	20%	0.196	S	C	*	.	H	α-helix	trans	-63.4	-50.9	174.6	175.5	-102.1	0	0	0	111.8	A159 V160 N161 T165 G166 V167	A159-F163 VanDerWaalsContact O-CB 3.28Å; A159-F163 WeakPolarHBondContact O-CB 3.49Å; A159-F163 PolarHBondContact O-N 3.45Å; V160-F163 PolarHBondContact O-N 2.98Å; N161-F163 VanDerWaalsContact C-N 3.34Å; N161-F163 PolarHBondContact O-N 3.06Å; F163-T165 PolarHBondContact O-N 3.06Å; F163-G166 PolarHBondContact O-N 3.43Å; F163-V167 HydrophobicContact CE1-CG2 4.39Å; F163-V167 HydrophobicContact CE2-CG2 4.2Å; F163-V167 HydrophobicContact CZ-CG2 4.1Å; F163-V167 WeakPolarHBondContact O-CG2 3.46Å; F163-V167 PolarHBondContact O-N 3.26Å
164	L	97	Very high	95.5	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-44.2	179.4	-67.1	170.5	0	0	0	111.4	V160 N161 V167 A168 L214	V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 VanDerWaalsContact O-CG 3.32Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.75Å; V160-L164 VanDerWaalsContact O-N 3.13Å; N161-L164 PolarHBondContact O-N 2.84Å; L164-V167 PolarHBondContact O-N 2.82Å; L164-A168 PolarHBondContact O-N 2.9Å; L164-L214 HydrophobicContact CD2-CD2 3.68Å
165	T	96.6	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-41.5	174.4	-57.8	0	0	0	0	112.4	N161 F163 V167 A168 A169 L220 A394 S398	N161-T165 PolarHBondContact O-N 3.42Å; N161-T165 PolarHBondContact O-OG1 3.07Å; N161-T165 VanDerWaalsContact O-OG1 3.09Å; F163-T165 PolarHBondContact O-N 3.06Å; T165-V167 PolarHBondContact O-N 3.43Å; T165-A168 WeakPolarHBondContact O-CB 3.48Å; T165-A168 PolarHBondContact O-N 2.81Å; T165-A169 PolarHBondContact O-N 2.9Å; T165-L220 HydrophobicContact CG2-CD1 3.76Å; T165-L220 HydrophobicContact CG2-CD2 4.41Å; T165-L220 HydrophobicContact CG2-CG 4.27Å; T165-A394 HydrophobicContact CG2-CB 3.88Å; T165-A394 VanDerWaalsContact CG2-O 3.27Å; T165-A394 WeakPolarHBondContact CG2-O 3.42Å; T165-S398 WeakPolarHBondContact OG1-CB 3.33Å; T165-S398 PolarHBondContact OG1-OG 3.28Å
166	G	97	Very high	96	Very high	10 Å²	10	37.1 Å²	37.1	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-43.5	178.2	0	0	0	0	0	112.8	S162 F163 A169 M170	S162-G166 PolarHBondContact O-N 3.43Å; F163-G166 PolarHBondContact O-N 3.43Å; G166-A169 PolarHBondContact O-N 2.74Å; G166-M170 WeakPolarHBondContact O-CB 3.39Å; G166-M170 PolarHBondContact O-N 3.29Å
167	V	97.6	Very high	96	Very high	51 Å²	51	37.6 Å²	37.6	31%	0.309	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-42	174.3	179.8	0	0	0	0	111	F163 L164 T165 A169 M170 L171 L214	F163-V167 HydrophobicContact CE1-CG2 4.39Å; F163-V167 HydrophobicContact CE2-CG2 4.2Å; F163-V167 HydrophobicContact CZ-CG2 4.1Å; F163-V167 WeakPolarHBondContact O-CG2 3.46Å; F163-V167 PolarHBondContact O-N 3.26Å; L164-V167 PolarHBondContact O-N 2.82Å; T165-V167 PolarHBondContact O-N 3.43Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 2.72Å; V167-M170 PolarHBondContact O-N 3.47Å; V167-L171 HydrophobicContact CG1-CD1 4.3Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.42Å; V167-L214 HydrophobicContact CB-CD1 4.18Å; V167-L214 HydrophobicContact CG1-CD1 3.71Å
168	A	97.4	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-44.9	175.5	0	0	0	0	0	112.3	L164 T165 L171 V172 L214 V486	L164-A168 PolarHBondContact O-N 2.9Å; T165-A168 WeakPolarHBondContact O-CB 3.48Å; T165-A168 PolarHBondContact O-N 2.81Å; A168-L171 PolarHBondContact O-N 2.91Å; A168-V172 PolarHBondContact O-N 2.91Å; A168-L214 HydrophobicContact CB-CB 3.78Å; A168-V486 HydrophobicContact CB-CG1 4.13Å
169	A	97.3	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-41.4	178.1	0	0	0	0	0	111.9	T165 G166 V167 L171 V172 V173 I391 A394 V486	T165-A169 PolarHBondContact O-N 2.9Å; G166-A169 PolarHBondContact O-N 2.74Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 2.72Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.77Å; A169-V172 PolarHBondContact O-N 3.28Å; A169-V173 WeakPolarHBondContact O-CB 3.28Å; A169-V173 VanDerWaalsContact O-CG2 3.28Å; A169-V173 WeakPolarHBondContact O-CG2 3.33Å; A169-V173 PolarHBondContact O-N 3.48Å; A169-I391 HydrophobicContact CB-CB 4.48Å; A169-I391 HydrophobicContact CB-CG1 4.16Å; A169-I391 HydrophobicContact CB-CG2 4.42Å; A169-A394 HydrophobicContact CB-CB 3.83Å; A169-V486 HydrophobicContact CB-CG1 3.89Å
170	M	97.3	Very high	95.9	Very high	108 Å²	108	37.2 Å²	37.2	53%	0.532	20%	0.202	S	C	.	.	H	α-helix	trans	-58.4	-45.3	175.5	-173	-174.9	-177.6	0	0	111.7	G166 V167 V172 V173 F174	G166-M170 WeakPolarHBondContact O-CB 3.39Å; G166-M170 PolarHBondContact O-N 3.29Å; V167-M170 PolarHBondContact O-N 3.47Å; M170-V172 PolarHBondContact O-N 3.09Å; M170-V173 PolarHBondContact O-N 3.31Å; M170-F174 HydrophobicContact CG-CD2 3.74Å; M170-F174 HydrophobicContact CG-CE2 4.15Å; M170-F174 WeakPolarHBondContact O-CB 3.43Å; M170-F174 WeakPolarHBondContact O-CD2 3.23Å; M170-F174 PolarHBondContact O-N 2.97Å
171	L	97	Very high	95.8	Very high	41 Å²	41	35.5 Å²	35.5	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-45.1	179	-71	172.4	0	0	0	112.1	V167 A168 A169 L175 V207 V210 L214	V167-L171 HydrophobicContact CG1-CD1 4.3Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.42Å; A168-L171 PolarHBondContact O-N 2.91Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.77Å; L171-L175 HydrophobicContact CD2-CD1 3.93Å; L171-L175 WeakPolarHBondContact O-CB 3.2Å; L171-L175 WeakPolarHBondContact O-CD1 3.2Å; L171-L175 PolarHBondContact O-N 3.2Å; L171-L175 VanDerWaalsContact O-N 3.09Å; L171-V207 HydrophobicContact CB-CG1 4.21Å; L171-V210 HydrophobicContact CD1-CB 4.41Å; L171-V210 HydrophobicContact CD1-CG1 3.74Å; L171-L214 HydrophobicContact CD1-CD1 3.93Å
172	V	96.9	Very high	95.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-52.6	176.9	172.9	0	0	0	0	111.1	A168 A169 M170 F174 A176 P177 A179 V207 S485 P487	A168-V172 PolarHBondContact O-N 2.91Å; A169-V172 PolarHBondContact O-N 3.28Å; M170-V172 PolarHBondContact O-N 3.09Å; V172-F174 VanDerWaalsContact C-N 3.34Å; V172-F174 PolarHBondContact O-N 3.26Å; V172-A176 CarbonylContact O-C 3.59Å; V172-A176 PolarHBondContact O-N 3.22Å; V172-P177 VanDerWaalsContact O-CA 3.27Å; V172-P177 WeakPolarHBondContact O-CA 3.37Å; V172-A179 HydrophobicContact CG2-CB 4.35Å; V172-V207 HydrophobicContact CG2-CG1 4.13Å; V172-S485 WeakPolarHBondContact CB-O 3.41Å; V172-P487 HydrophobicContact CG2-CG 3.8Å
173	V	96	Very high	95.5	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-33.4	-171.8	171.2	0	0	0	0	113	A169 M170 K387 K390 I391	A169-V173 WeakPolarHBondContact O-CB 3.28Å; A169-V173 VanDerWaalsContact O-CG2 3.28Å; A169-V173 WeakPolarHBondContact O-CG2 3.33Å; A169-V173 PolarHBondContact O-N 3.48Å; M170-V173 PolarHBondContact O-N 3.31Å; V173-K387 HydrophobicContact CG1-CB 3.57Å; V173-K387 HydrophobicContact CG1-CD 4.27Å; V173-K387 HydrophobicContact CG1-CG 3.81Å; V173-K390 HydrophobicContact CG2-CB 4.09Å; V173-I391 HydrophobicContact CB-CD1 4.27Å; V173-I391 HydrophobicContact CB-CG1 4.28Å; V173-I391 HydrophobicContact CG1-CD1 4.2Å; V173-I391 HydrophobicContact CG1-CG1 4.49Å; V173-I391 HydrophobicContact CG2-CG1 4.15Å
174	F	96.2	Very high	95.3	Very high	88 Å²	88	28 Å²	28	39%	0.386	16%	0.16	S	C	.	.	H	α-helix	trans	-96.7	-40.1	-178.8	-72	-76.2	0	0	0	114.8	M170 V172 K387 Y388 I391	M170-F174 HydrophobicContact CG-CD2 3.74Å; M170-F174 HydrophobicContact CG-CE2 4.15Å; M170-F174 WeakPolarHBondContact O-CB 3.43Å; M170-F174 WeakPolarHBondContact O-CD2 3.23Å; M170-F174 PolarHBondContact O-N 2.97Å; V172-F174 VanDerWaalsContact C-N 3.34Å; V172-F174 PolarHBondContact O-N 3.26Å; F174-K387 HydrophobicContact CD1-CD 4.42Å; F174-K387 HydrophobicContact CE1-CD 4.12Å; F174-Y388 AromaticContact CZ-CE1 3.94Å; F174-Y388 HydrophobicContact CZ-CE1 3.94Å; F174-I391 HydrophobicContact CD2-CD1 4.18Å; F174-I391 HydrophobicContact CE2-CD1 3.55Å; F174-I391 HydrophobicContact CZ-CD1 4.43Å
175	L	95.6	Very high	95.1	Very high	86 Å²	86	27.3 Å²	27.3	45%	0.45	16%	0.156	S	C	.	.	H	α-helix	trans	-95.1	-45	-175.1	-64.3	93	0	0	0	113.5	L171 L203 V207	L171-L175 HydrophobicContact CD2-CD1 3.93Å; L171-L175 WeakPolarHBondContact O-CB 3.2Å; L171-L175 WeakPolarHBondContact O-CD1 3.2Å; L171-L175 PolarHBondContact O-N 3.2Å; L171-L175 VanDerWaalsContact O-N 3.09Å; L175-L203 HydrophobicContact CD2-CD1 4.38Å; L175-V207 HydrophobicContact CB-CG2 3.88Å
176	A	94.2	Very high	94.9	Very high	7 Å²	7	29 Å²	29	6%	0.058	16%	0.164	C	C	.	.			trans	-151.2	82.8	-173.4	0	0	0	0	0	112.4	V172 V178 A179 V207	V172-A176 CarbonylContact O-C 3.59Å; V172-A176 PolarHBondContact O-N 3.22Å; A176-V178 PolarHBondContact O-N 2.85Å; A176-V178 VanDerWaalsContact O-N 3.11Å; A176-A179 HydrophobicContact CB-CB 4.24Å; A176-A179 WeakPolarHBondContact O-CB 3.42Å; A176-A179 PolarHBondContact O-N 3.32Å; A176-V207 HydrophobicContact CB-CB 4.02Å; A176-V207 HydrophobicContact CB-CG1 4.04Å; A176-V207 HydrophobicContact CB-CG2 4.05Å
177	P	93.2	Very high	94.7	Very high	78 Å²	78	28.8 Å²	28.8	51%	0.506	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-62	-25.1	-178.9	21.9	-33.3	0	0	0	113.1	V172 A179 S180	V172-P177 VanDerWaalsContact O-CA 3.27Å; V172-P177 WeakPolarHBondContact O-CA 3.37Å; P177-A179 PolarHBondContact O-N 2.98Å; P177-S180 VanDerWaalsContact O-CB 3.3Å; P177-S180 WeakPolarHBondContact O-CB 3.12Å; P177-S180 PolarHBondContact O-N 2.59Å; P177-S180 VanDerWaalsContact O-N 3.12Å
178	V	92.2	Very high	94.4	Very high	33 Å²	33	27.3 Å²	27.3	20%	0.2	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-66.2	-12.6	173.6	-172.1	0	0	0	0	112.7	A176 S180 R198 V199 T204 H230	A176-V178 PolarHBondContact O-N 2.85Å; A176-V178 VanDerWaalsContact O-N 3.11Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-R198 HydrophobicContact CG2-CB 4.44Å; V178-V199 HydrophobicContact CG1-CB 4.33Å; V178-V199 HydrophobicContact CG1-CG2 3.51Å; V178-T204 HydrophobicContact CB-CG2 4.44Å; V178-H230 PolarHBondContact O-CE1 3.45Å
179	A	94.1	Very high	94	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-79.6	-7.9	172.5	0	0	0	0	0	113.6	V172 A176 P177 T204 V207 K208	V172-A179 HydrophobicContact CG2-CB 4.35Å; A176-A179 HydrophobicContact CB-CB 4.24Å; A176-A179 WeakPolarHBondContact O-CB 3.42Å; A176-A179 PolarHBondContact O-N 3.32Å; P177-A179 PolarHBondContact O-N 2.98Å; A179-T204 HydrophobicContact CB-CG2 4.08Å; A179-V207 HydrophobicContact CB-CB 4.31Å; A179-V207 HydrophobicContact CB-CG1 3.87Å; A179-K208 HydrophobicContact CB-CB 4.03Å; A179-K208 HydrophobicContact CB-CG 4.36Å; A179-K208 PolarHBondContact O-NZ 3.42Å
180	S	93.7	Very high	93.7	Very high	29 Å²	29	27.5 Å²	27.5	20%	0.203	15%	0.151	C	C	.	.	S	Bend	trans	-59.5	154.9	177	-164.8	0	0	0	0	113.2	P177 V178 K208 L484	P177-S180 VanDerWaalsContact O-CB 3.3Å; P177-S180 WeakPolarHBondContact O-CB 3.12Å; P177-S180 PolarHBondContact O-N 2.59Å; P177-S180 VanDerWaalsContact O-N 3.12Å; V178-S180 VanDerWaalsContact C-N 3.3Å; S180-K208 PolarHBondContact O-NZ 3.01Å; S180-L484 PolarHBondContact OG-O 3.39Å
181	G	93.4	Very high	93.3	Very high	14 Å²	14	22.6 Å²	22.6	14%	0.144	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	59.8	-156.6	177.7	0	0	0	0	0	113.7	K208 V486 A488	G181-K208 PolarHBondContact O-NZ 3.42Å; G181-V486 PolarHBondContact N-O 3.48Å; G181-A488 CarbonylContact C-O 3.58Å; G181-A488 PolarHBondContact O-N 3.43Å; G181-A488 VanDerWaalsContact O-N 3.11Å
182	S	93	Very high	92.8	Very high	2 Å²	2	21 Å²	21	1%	0.014	12%	0.118	C	C	.	.			trans	-75.8	-30.4	-173.5	65.5	0	0	0	0	113.1	I184 P185 K208 G226 P227 A488	S182-I184 VanDerWaalsContact C-N 3.25Å; S182-I184 PolarHBondContact OG-N 2.78Å; S182-I184 VanDerWaalsContact OG-N 3.13Å; S182-P185 WeakPolarHBondContact OG-CD 3.32Å; S182-K208 WeakPolarHBondContact O-CE 3.47Å; S182-K208 PolarHBondContact O-NZ 3.28Å; S182-G226 CarbonylContact O-C 3.59Å; S182-G226 VanDerWaalsContact O-C 3.3Å; S182-P227 WeakPolarHBondContact O-CA 3.49Å; S182-A488 WeakPolarHBondContact CA-O 3.33Å; S182-A488 WeakPolarHBondContact CB-O 3.35Å; S182-A488 PolarHBondContact N-O 2.89Å
183	G	93.1	Very high	92.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	85.6	-10.9	-167.8	0	0	0	0	0	113.9	Q186 I187 H230	G183-Q186 WeakPolarHBondContact O-CB 3.35Å; G183-Q186 PolarHBondContact O-N 2.87Å; G183-Q186 PolarHBondContact O-OE1 3.42Å; G183-I187 WeakPolarHBondContact O-CG1 3.33Å; G183-I187 PolarHBondContact O-N 2.85Å; G183-H230 WeakPolarHBondContact CA-ND1 3.27Å
184	I	93.2	Very high	91.9	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-47.2	-177.3	-62.2	161.1	0	0	0	111.9	S182 Q186 I187 K188 I229 F288 F491 Y578	S182-I184 VanDerWaalsContact C-N 3.25Å; S182-I184 PolarHBondContact OG-N 2.78Å; S182-I184 VanDerWaalsContact OG-N 3.13Å; I184-Q186 PolarHBondContact O-N 2.87Å; I184-I187 PolarHBondContact O-N 3.06Å; I184-I187 VanDerWaalsContact O-N 3.1Å; I184-K188 WeakPolarHBondContact O-CB 3.41Å; I184-K188 PolarHBondContact O-N 3.22Å; I184-I229 HydrophobicContact CD1-CD1 3.95Å; I184-I229 HydrophobicContact CG1-CD1 4.05Å; I184-F288 HydrophobicContact CG2-CZ 4.05Å; I184-F491 HydrophobicContact CD1-CD2 4.36Å; I184-F491 HydrophobicContact CD1-CE2 3.65Å; I184-Y578 HydrophobicContact CB-CD1 4.48Å; I184-Y578 HydrophobicContact CB-CE1 4.28Å; I184-Y578 HydrophobicContact CD1-CE1 4.16Å; I184-Y578 HydrophobicContact CD1-CE2 4.21Å; I184-Y578 WeakPolarHBondContact CD1-OH 2.84Å; I184-Y578 HydrophobicContact CG2-CD1 4.48Å; I184-Y578 HydrophobicContact CG2-CD2 3.98Å; I184-Y578 HydrophobicContact CG2-CE1 4.49Å; I184-Y578 HydrophobicContact CG2-CE2 3.98Å; I184-Y578 HydrophobicContact CG2-CG 4.25Å
185	P	92	Very high	91.4	Very high	7 Å²	7	19 Å²	19	5%	0.045	11%	0.111	C	C	.	.	H	α-helix	trans	-53.1	-40.3	172.6	-29.5	37.6	0	0	0	112.9	S182 K188 C189 Y578 I582	S182-P185 WeakPolarHBondContact OG-CD 3.32Å; P185-K188 PolarHBondContact O-N 2.91Å; P185-C189 WeakPolarHBondContact O-CB 3.16Å; P185-C189 PolarHBondContact O-N 3.27Å; P185-C189 PolarHBondContact O-SG 2.86Å; P185-C189 VanDerWaalsContact O-SG 3.38Å; P185-Y578 HydrophobicContact CG-CD1 3.93Å; P185-Y578 HydrophobicContact CG-CG 4.44Å; P185-I582 HydrophobicContact CB-CD1 4.34Å; P185-I582 HydrophobicContact CB-CG1 3.93Å
186	Q	92.8	Very high	91	Very high	37 Å²	37	16 Å²	16	17%	0.173	10%	0.095	C	C	.	.	H	α-helix	trans	-69.1	-37.7	179.6	-64.2	81.1	-2.5	0	0	112.2	G183 I184 Y190 I196 V199	G183-Q186 WeakPolarHBondContact O-CB 3.35Å; G183-Q186 PolarHBondContact O-N 2.87Å; G183-Q186 PolarHBondContact O-OE1 3.42Å; I184-Q186 PolarHBondContact O-N 2.87Å; Q186-Y190 VanDerWaalsContact O-CB 3.28Å; Q186-Y190 WeakPolarHBondContact O-CB 3.36Å; Q186-Y190 PolarHBondContact O-N 2.8Å; Q186-I196 HydrophobicContact CB-CD1 4.26Å; Q186-I196 HydrophobicContact CG-CD1 4.4Å; Q186-V199 HydrophobicContact CB-CG1 4.23Å; Q186-V199 HydrophobicContact CB-CG2 3.99Å; Q186-V199 HydrophobicContact CG-CG2 4.29Å
187	I	92.7	Very high	90.6	Very high	5 Å²	5	19 Å²	19	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-73.6	-38.8	174.5	-63.6	-53.1	0	0	0	111.8	G183 I184 Y190 L191 V199 M200 H230 S233 A271	G183-I187 WeakPolarHBondContact O-CG1 3.33Å; G183-I187 PolarHBondContact O-N 2.85Å; I184-I187 PolarHBondContact O-N 3.06Å; I184-I187 VanDerWaalsContact O-N 3.1Å; I187-Y190 PolarHBondContact O-N 3.4Å; I187-L191 HydrophobicContact CG2-CD1 3.86Å; I187-L191 HydrophobicContact CG2-CG 4.25Å; I187-L191 WeakPolarHBondContact O-CB 2.99Å; I187-L191 WeakPolarHBondContact O-CG 3.4Å; I187-L191 PolarHBondContact O-N 3.35Å; I187-V199 HydrophobicContact CD1-CG1 4.11Å; I187-M200 HydrophobicContact CD1-CE 3.63Å; I187-M200 HydrophobicContact CD1-SD 4.3Å; I187-H230 HydrophobicContact CG1-CB 4.31Å; I187-S233 VanDerWaalsContact CD1-CB 3.46Å; I187-A271 HydrophobicContact CG2-CB 4.32Å
188	K	90.7	Very high	90.5	Very high	20 Å²	20	22.5 Å²	22.5	9%	0.087	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-53.2	172.2	-168.6	179.8	-161	153.8	0	110.2	I184 P185 Y190 L191 N192 E292 D579 I582 L589	I184-K188 WeakPolarHBondContact O-CB 3.41Å; I184-K188 PolarHBondContact O-N 3.22Å; P185-K188 PolarHBondContact O-N 2.91Å; K188-Y190 PolarHBondContact O-N 3.31Å; K188-L191 PolarHBondContact O-N 2.88Å; K188-N192 WeakPolarHBondContact O-CB 3.16Å; K188-N192 PolarHBondContact O-N 2.91Å; K188-E292 WeakPolarHBondContact CD-OE2 3.48Å; K188-E292 WeakPolarHBondContact CE-OE2 3.47Å; K188-E292 VanDerWaalsContact NZ-CD 3.3Å; K188-E292 IonicContact NZ-OE1 2.71Å; K188-E292 PolarHBondContact NZ-OE1 3.3Å; K188-E292 VanDerWaalsContact NZ-OE1 3.11Å; K188-E292 IonicContact NZ-OE2 3.48Å; K188-E292 PolarHBondContact NZ-OE2 2.85Å; K188-D579 WeakPolarHBondContact CD-OD1 3.4Å; K188-D579 WeakPolarHBondContact CE-OD1 3.49Å; K188-D579 VanDerWaalsContact NZ-CG 3.3Å; K188-D579 IonicContact NZ-OD1 2.7Å; K188-D579 PolarHBondContact NZ-OD1 3.45Å; K188-D579 IonicContact NZ-OD2 2.68Å; K188-D579 PolarHBondContact NZ-OD2 3.4Å; K188-I582 HydrophobicContact CB-CD1 4.31Å; K188-I582 HydrophobicContact CD-CD1 3.75Å; K188-I582 HydrophobicContact CG-CD1 4.3Å; K188-L589 HydrophobicContact CD-CD2 4.44Å; K188-L589 HydrophobicContact CG-CD1 4.42Å
189	C	89.4	Confident	90.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.1	-43.1	174.7	-75	0	0	0	0	113.1	P185 N192 G193 L194 I196 M587	P185-C189 WeakPolarHBondContact O-CB 3.16Å; P185-C189 PolarHBondContact O-N 3.27Å; P185-C189 PolarHBondContact O-SG 2.86Å; P185-C189 VanDerWaalsContact O-SG 3.38Å; C189-N192 PolarHBondContact O-N 3.12Å; C189-G193 PolarHBondContact O-N 3.17Å; C189-L194 HydrophobicContact CB-CB 4.25Å; C189-L194 HydrophobicContact CB-CD1 3.84Å; C189-L194 WeakPolarHBondContact O-CB 3.49Å; C189-L194 PolarHBondContact O-N 3.06Å; C189-I196 HydrophobicContact CB-CD1 3.5Å; C189-I196 HydrophobicContact CB-CG1 4.38Å; C189-M587 VanDerWaalsContact SG-CE 3.54Å
190	Y	90.5	Very high	90.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-56.3	-56.9	176.6	-174.3	-78.4	0	0	0	110.6	F74 Y76 Q186 I187 K188 N192 G193 L194 M200 K263 V267	F74-Y190 HydrophobicContact CE2-CD1 4.43Å; F74-Y190 AromaticContact CE2-CD2 3.61Å; F74-Y190 HydrophobicContact CE2-CD2 3.61Å; F74-Y190 HydrophobicContact CE2-CE1 4.28Å; F74-Y190 AromaticContact CE2-CE2 3.47Å; F74-Y190 HydrophobicContact CE2-CE2 3.47Å; F74-Y190 VanDerWaalsContact CE2-CE2 3.47Å; F74-Y190 HydrophobicContact CE2-CG 4.09Å; F74-Y190 AromaticContact CE2-CZ 3.81Å; F74-Y190 AromaticContact CZ-CD2 3.92Å; F74-Y190 HydrophobicContact CZ-CD2 3.92Å; F74-Y190 AromaticContact CZ-CE2 3.37Å; F74-Y190 HydrophobicContact CZ-CE2 3.37Å; F74-Y190 AromaticContact CZ-CZ 3.8Å; Y76-Y190 PolarHBondContact OH-O 3.01Å; Q186-Y190 VanDerWaalsContact O-CB 3.28Å; Q186-Y190 WeakPolarHBondContact O-CB 3.36Å; Q186-Y190 PolarHBondContact O-N 2.8Å; I187-Y190 PolarHBondContact O-N 3.4Å; K188-Y190 PolarHBondContact O-N 3.31Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 3.13Å; Y190-G193 WeakPolarHBondContact O-CA 3.15Å; Y190-G193 PolarHBondContact O-N 3.41Å; Y190-L194 WeakPolarHBondContact CA-O 3.4Å; Y190-M200 HydrophobicContact CD1-CE 3.71Å; Y190-M200 HydrophobicContact CD2-CE 3.63Å; Y190-M200 HydrophobicContact CD2-CG 3.97Å; Y190-M200 HydrophobicContact CE1-CE 3.79Å; Y190-M200 HydrophobicContact CE2-CE 3.67Å; Y190-M200 HydrophobicContact CE2-CG 3.48Å; Y190-M200 VanDerWaalsContact CE2-CG 3.48Å; Y190-M200 HydrophobicContact CE2-SD 4.48Å; Y190-M200 HydrophobicContact CG-CE 3.65Å; Y190-K263 VanDerWaalsContact OH-CE 3.23Å; Y190-K263 WeakPolarHBondContact OH-CE 3.31Å; Y190-V267 HydrophobicContact CD1-CG1 4.05Å; Y190-V267 HydrophobicContact CE1-CB 4.33Å; Y190-V267 HydrophobicContact CE1-CG1 4.08Å; Y190-V267 HydrophobicContact CE1-CG2 4.19Å
191	L	88.3	Confident	90.3	Very high	4 Å²	4	28 Å²	28	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-32.7	-177.6	-68	176.3	0	0	0	113.2	I187 K188 G193 R264 V267 S268	I187-L191 HydrophobicContact CG2-CD1 3.86Å; I187-L191 HydrophobicContact CG2-CG 4.25Å; I187-L191 WeakPolarHBondContact O-CB 2.99Å; I187-L191 WeakPolarHBondContact O-CG 3.4Å; I187-L191 PolarHBondContact O-N 3.35Å; K188-L191 PolarHBondContact O-N 2.88Å; L191-G193 PolarHBondContact O-N 3Å; L191-R264 HydrophobicContact CD2-CG 3.56Å; L191-V267 HydrophobicContact CD2-CB 4.34Å; L191-V267 HydrophobicContact CD2-CG1 3.79Å; L191-V267 HydrophobicContact CG-CG1 4.4Å; L191-S268 WeakPolarHBondContact CD2-OG 3.36Å
192	N	86.7	Confident	90.2	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-20.1	171.8	-162.7	-87.7	0	0	0	112.6	K188 C189 Y190 L589 L590 R739 R761	K188-N192 WeakPolarHBondContact O-CB 3.16Å; K188-N192 PolarHBondContact O-N 2.91Å; C189-N192 PolarHBondContact O-N 3.12Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 3.13Å; N192-L589 HydrophobicContact CB-CD1 3.52Å; N192-L590 PolarHBondContact ND2-O 3.4Å; N192-L590 PolarHBondContact OD1-N 3.28Å; N192-L590 VanDerWaalsContact OD1-N 3.1Å; N192-R739 PolarHBondContact ND2-NH1 2.88Å; N192-R761 PolarHBondContact O-NH1 3.23Å; N192-R761 PolarHBondContact O-NH2 2.73Å; N192-R761 PolarHBondContact OD1-NH1 3.41Å
193	G	86.9	Confident	90.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.4	28.3	174.6	0	0	0	0	0	115.8	G73 F74 Y76 C189 Y190 L191	G73-G193 CarbonylContact C-O 3.51Å; G73-G193 VanDerWaalsContact CA-O 3.25Å; G73-G193 WeakPolarHBondContact CA-O 3.47Å; F74-G193 PolarHBondContact N-O 2.97Å; Y76-G193 VanDerWaalsContact CE2-CA 3.46Å; C189-G193 PolarHBondContact O-N 3.17Å; Y190-G193 WeakPolarHBondContact O-CA 3.15Å; Y190-G193 PolarHBondContact O-N 3.41Å; L191-G193 PolarHBondContact O-N 3Å
194	L	87.7	Confident	90.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124	176.4	-64.7	167.9	0	0	0	112	I71 E72 F74 C189 Y190 I196 M587 A588	I71-L194 HydrophobicContact CG2-CB 4.07Å; I71-L194 HydrophobicContact CG2-CD2 4.04Å; E72-L194 WeakPolarHBondContact O-CA 3.48Å; F74-L194 WeakPolarHBondContact CE2-O 2.99Å; C189-L194 HydrophobicContact CB-CB 4.25Å; C189-L194 HydrophobicContact CB-CD1 3.84Å; C189-L194 WeakPolarHBondContact O-CB 3.49Å; C189-L194 PolarHBondContact O-N 3.06Å; Y190-L194 WeakPolarHBondContact CA-O 3.4Å; L194-I196 PolarHBondContact O-N 3.35Å; L194-M587 HydrophobicContact CD1-CB 4.41Å; L194-A588 HydrophobicContact CD2-CB 4.38Å
195	N	86.7	Confident	90.5	Very high	60 Å²	60	35.9 Å²	35.9	32%	0.321	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	76.6	178.1	-173.8	11.5	0	0	0	111.2	E72 F74 P197	E72-N195 HydrophobicContact CB-CB 4.34Å; E72-N195 PolarHBondContact O-N 3.44Å; F74-N195 HydrophobicContact CD1-CB 4.06Å; F74-N195 HydrophobicContact CD2-CB 4.22Å; F74-N195 HydrophobicContact CE1-CB 3.69Å; F74-N195 VanDerWaalsContact CE1-CG 3.5Å; F74-N195 VanDerWaalsContact CE2-CA 3.48Å; F74-N195 HydrophobicContact CE2-CB 3.89Å; F74-N195 HydrophobicContact CG-CB 4.3Å; F74-N195 HydrophobicContact CZ-CB 3.6Å; F74-N195 WeakPolarHBondContact CZ-OD1 3.27Å; N195-P197 WeakPolarHBondContact O-CD 3.36Å
196	I	87.3	Confident	90.7	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.108	19%	0.194	C	C	.	.			trans	-72	121	176.4	-57.3	175	0	0	0	109.7	Q186 C189 L194 R198 V199 M587	Q186-I196 HydrophobicContact CB-CD1 4.26Å; Q186-I196 HydrophobicContact CG-CD1 4.4Å; C189-I196 HydrophobicContact CB-CD1 3.5Å; C189-I196 HydrophobicContact CB-CG1 4.38Å; L194-I196 PolarHBondContact O-N 3.35Å; I196-R198 PolarHBondContact O-N 2.92Å; I196-V199 HydrophobicContact CB-CG2 3.64Å; I196-V199 HydrophobicContact CG2-CG2 3.46Å; I196-V199 VanDerWaalsContact CG2-CG2 3.46Å; I196-M587 HydrophobicContact CD1-CE 4.42Å; I196-M587 HydrophobicContact CD1-SD 3.59Å; I196-M587 VanDerWaalsContact CD1-SD 3.59Å; I196-M587 HydrophobicContact CG1-SD 4.26Å
197	P	85.9	Confident	90.9	Very high	72 Å²	72	38.3 Å²	38.3	47%	0.468	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	138.7	-176.6	-27.7	36.1	0	0	0	113.8	N195 V199	N195-P197 WeakPolarHBondContact O-CD 3.36Å; P197-V199 PolarHBondContact O-N 3.37Å; P197-V199 VanDerWaalsContact O-N 3.07Å
198	R	89.8	Confident	91.1	Very high	151 Å²	151	38.1 Å²	38.1	57%	0.57	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	-2.7	171.6	-44.5	179.4	-170.7	-171.8	4.4	116.7	V178 I196 M200 R201 T204	V178-R198 HydrophobicContact CG2-CB 4.44Å; I196-R198 PolarHBondContact O-N 2.92Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 2.85Å; R198-R201 PolarHBondContact O-N 3.17Å; R198-T204 PolarHBondContact O-OG1 3.45Å
199	V	91.8	Very high	91.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-47.2	177.4	171.5	0	0	0	0	112	V178 Q186 I187 I196 P197 R201 H230 V234	V178-V199 HydrophobicContact CG1-CB 4.33Å; V178-V199 HydrophobicContact CG1-CG2 3.51Å; Q186-V199 HydrophobicContact CB-CG1 4.23Å; Q186-V199 HydrophobicContact CB-CG2 3.99Å; Q186-V199 HydrophobicContact CG-CG2 4.29Å; I187-V199 HydrophobicContact CD1-CG1 4.11Å; I196-V199 HydrophobicContact CB-CG2 3.64Å; I196-V199 HydrophobicContact CG2-CG2 3.46Å; I196-V199 VanDerWaalsContact CG2-CG2 3.46Å; P197-V199 PolarHBondContact O-N 3.37Å; P197-V199 VanDerWaalsContact O-N 3.07Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.15Å; V199-H230 WeakPolarHBondContact CA-NE2 3.43Å; V199-H230 WeakPolarHBondContact CG1-NE2 3.2Å; V199-H230 PolarHBondContact O-NE2 3.15Å; V199-V234 WeakPolarHBondContact O-CG2 3.47Å
200	M	92.2	Very high	91.8	Very high	37 Å²	37	40.9 Å²	40.9	18%	0.182	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	29.8	-175.4	-61.3	-55.7	-166.2	0	0	114.5	I187 Y190 R198 V234 A237 V267	I187-M200 HydrophobicContact CD1-CE 3.63Å; I187-M200 HydrophobicContact CD1-SD 4.3Å; Y190-M200 HydrophobicContact CD1-CE 3.71Å; Y190-M200 HydrophobicContact CD2-CE 3.63Å; Y190-M200 HydrophobicContact CD2-CG 3.97Å; Y190-M200 HydrophobicContact CE1-CE 3.79Å; Y190-M200 HydrophobicContact CE2-CE 3.67Å; Y190-M200 HydrophobicContact CE2-CG 3.48Å; Y190-M200 VanDerWaalsContact CE2-CG 3.48Å; Y190-M200 HydrophobicContact CE2-SD 4.48Å; Y190-M200 HydrophobicContact CG-CE 3.65Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 2.85Å; M200-V234 HydrophobicContact SD-CG2 4.14Å; M200-A237 HydrophobicContact CB-CB 3.91Å; M200-A237 HydrophobicContact CG-CB 3.99Å; M200-A237 HydrophobicContact SD-CB 3.85Å; M200-V267 HydrophobicContact CE-CB 4.31Å; M200-V267 HydrophobicContact CE-CG1 3.47Å; M200-V267 VanDerWaalsContact CE-CG1 3.47Å; M200-V267 HydrophobicContact CE-CG2 3.76Å
201	R	91.4	Very high	92.2	Very high	139 Å²	139	40.7 Å²	40.7	53%	0.525	21%	0.206	S	C	.	.			trans	-96.9	138.3	176.7	-69.9	-174.6	178.9	-166.7	0.7	111.4	R198 V199 L203 T204 M205	R198-R201 PolarHBondContact O-N 3.17Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.15Å; R201-L203 PolarHBondContact O-N 2.92Å; R201-T204 WeakPolarHBondContact O-CA 3.37Å; R201-T204 VanDerWaalsContact O-CB 3.24Å; R201-T204 WeakPolarHBondContact O-CB 3.35Å; R201-T204 PolarHBondContact O-N 2.7Å; R201-M205 PolarHBondContact O-N 3.1Å
202	C	92.6	Very high	92.6	Very high	60 Å²	60	40.5 Å²	40.5	41%	0.405	21%	0.205	S	C	.	.	H	α-helix	trans	-54.4	-36	174.6	-177.2	0	0	0	0	112.9	T204 M205 I206	C202-T204 VanDerWaalsContact C-N 3.32Å; C202-T204 PolarHBondContact O-N 2.6Å; C202-M205 WeakPolarHBondContact O-CB 3.43Å; C202-M205 PolarHBondContact O-N 3.2Å; C202-I206 WeakPolarHBondContact O-CG1 3.49Å; C202-I206 PolarHBondContact O-N 2.86Å
203	L	94.1	Very high	93.1	Very high	75 Å²	75	41.3 Å²	41.3	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-59.2	-41.6	172.4	-180	63.1	0	0	0	112.4	L175 R201 M205 I206 V207	L175-L203 HydrophobicContact CD2-CD1 4.38Å; R201-L203 PolarHBondContact O-N 2.92Å; L203-M205 VanDerWaalsContact C-N 3.34Å; L203-I206 PolarHBondContact O-N 3.02Å; L203-V207 HydrophobicContact CD1-CG2 4.11Å; L203-V207 HydrophobicContact CG-CG2 4.43Å; L203-V207 WeakPolarHBondContact O-CB 3.48Å; L203-V207 WeakPolarHBondContact O-CG2 3.26Å; L203-V207 PolarHBondContact O-N 2.75Å
204	T	95.5	Very high	93.5	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-42.2	176.6	-47.1	0	0	0	0	110.5	V178 A179 R198 R201 C202 K208 H230	V178-T204 HydrophobicContact CB-CG2 4.44Å; A179-T204 HydrophobicContact CB-CG2 4.08Å; R198-T204 PolarHBondContact O-OG1 3.45Å; R201-T204 WeakPolarHBondContact O-CA 3.37Å; R201-T204 VanDerWaalsContact O-CB 3.24Å; R201-T204 WeakPolarHBondContact O-CB 3.35Å; R201-T204 PolarHBondContact O-N 2.7Å; C202-T204 VanDerWaalsContact C-N 3.32Å; C202-T204 PolarHBondContact O-N 2.6Å; T204-K208 WeakPolarHBondContact O-CB 3.44Å; T204-K208 PolarHBondContact O-N 3.31Å; T204-H230 WeakPolarHBondContact CG2-CE1 3.37Å
205	M	95.7	Very high	93.9	Very high	46 Å²	46	42.3 Å²	42.3	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-47.1	174.4	-177.3	-164.8	79	0	0	112.3	R201 C202 L203 K208 G209 I231 V234 I235	R201-M205 PolarHBondContact O-N 3.1Å; C202-M205 WeakPolarHBondContact O-CB 3.43Å; C202-M205 PolarHBondContact O-N 3.2Å; L203-M205 VanDerWaalsContact C-N 3.34Å; M205-K208 PolarHBondContact O-N 2.93Å; M205-G209 PolarHBondContact O-N 3.35Å; M205-I231 HydrophobicContact CG-CB 4.39Å; M205-I231 HydrophobicContact CG-CG1 4.16Å; M205-I231 HydrophobicContact CG-CG2 3.98Å; M205-I231 HydrophobicContact SD-CG2 4.47Å; M205-V234 HydrophobicContact CB-CB 4.07Å; M205-V234 HydrophobicContact CB-CG1 3.86Å; M205-V234 HydrophobicContact CB-CG2 4.42Å; M205-V234 HydrophobicContact CG-CB 4.39Å; M205-V234 HydrophobicContact SD-CG1 4.44Å; M205-I235 HydrophobicContact SD-CD1 4.37Å; M205-I235 HydrophobicContact SD-CG1 3.68Å
206	I	96.5	Very high	94.3	Very high	89 Å²	89	39.8 Å²	39.8	46%	0.456	20%	0.201	S	C	.	.	H	α-helix	trans	-63.6	-48.4	179.4	-66.5	165.6	0	0	0	110.8	C202 L203 K208 G209 V210	C202-I206 WeakPolarHBondContact O-CG1 3.49Å; C202-I206 PolarHBondContact O-N 2.86Å; L203-I206 PolarHBondContact O-N 3.02Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 3.48Å; I206-G209 PolarHBondContact O-N 3.49Å; I206-V210 HydrophobicContact CG2-CG2 4.45Å; I206-V210 WeakPolarHBondContact O-CG2 3.31Å; I206-V210 PolarHBondContact O-N 3.48Å
207	V	97.3	Very high	94.6	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.036	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-38.8	177.4	171.4	0	0	0	0	111.3	L171 V172 L175 A176 A179 L203 G211	L171-V207 HydrophobicContact CB-CG1 4.21Å; V172-V207 HydrophobicContact CG2-CG1 4.13Å; L175-V207 HydrophobicContact CB-CG2 3.88Å; A176-V207 HydrophobicContact CB-CB 4.02Å; A176-V207 HydrophobicContact CB-CG1 4.04Å; A176-V207 HydrophobicContact CB-CG2 4.05Å; A179-V207 HydrophobicContact CB-CB 4.31Å; A179-V207 HydrophobicContact CB-CG1 3.87Å; L203-V207 HydrophobicContact CD1-CG2 4.11Å; L203-V207 HydrophobicContact CG-CG2 4.43Å; L203-V207 WeakPolarHBondContact O-CB 3.48Å; L203-V207 WeakPolarHBondContact O-CG2 3.26Å; L203-V207 PolarHBondContact O-N 2.75Å; V207-G211 WeakPolarHBondContact O-CA 3.43Å; V207-G211 PolarHBondContact O-N 2.89Å
208	K	97.2	Very high	95	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-68.8	-41.1	177.5	-154.8	178.4	-170.2	76	0	112.2	A179 S180 G181 S182 T204 M205 I206 V212 P227 H230 P487	A179-K208 HydrophobicContact CB-CB 4.03Å; A179-K208 HydrophobicContact CB-CG 4.36Å; A179-K208 PolarHBondContact O-NZ 3.42Å; S180-K208 PolarHBondContact O-NZ 3.01Å; G181-K208 PolarHBondContact O-NZ 3.42Å; S182-K208 WeakPolarHBondContact O-CE 3.47Å; S182-K208 PolarHBondContact O-NZ 3.28Å; T204-K208 WeakPolarHBondContact O-CB 3.44Å; T204-K208 PolarHBondContact O-N 3.31Å; M205-K208 PolarHBondContact O-N 2.93Å; I206-K208 VanDerWaalsContact C-N 3.3Å; I206-K208 PolarHBondContact O-N 3.48Å; K208-V212 WeakPolarHBondContact O-CB 3.29Å; K208-V212 WeakPolarHBondContact O-CG1 3.31Å; K208-V212 PolarHBondContact O-N 3.18Å; K208-P227 HydrophobicContact CD-CB 4.25Å; K208-P227 HydrophobicContact CG-CB 4.24Å; K208-H230 HydrophobicContact CD-CB 4.05Å; K208-H230 VanDerWaalsContact CD-ND1 3.26Å; K208-H230 WeakPolarHBondContact CD-ND1 3.29Å; K208-H230 VanDerWaalsContact CE-ND1 3.3Å; K208-H230 WeakPolarHBondContact CE-ND1 3.38Å; K208-P487 HydrophobicContact CG-CB 3.83Å; K208-P487 HydrophobicContact CG-CG 4.28Å
209	G	96.8	Very high	95	Very high	11 Å²	11	29 Å²	29	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-51.3	177.3	0	0	0	0	0	113.1	M205 I206 V212 I213	M205-G209 PolarHBondContact O-N 3.35Å; I206-G209 PolarHBondContact O-N 3.49Å; G209-V212 WeakPolarHBondContact O-CG1 3.46Å; G209-V212 PolarHBondContact O-N 3.33Å; G209-I213 WeakPolarHBondContact O-CD1 3.29Å; G209-I213 VanDerWaalsContact O-CG1 3.3Å; G209-I213 WeakPolarHBondContact O-CG1 2.96Å; G209-I213 PolarHBondContact O-N 3.31Å
210	V	97.6	Very high	95.1	Very high	66 Å²	66	29.3 Å²	29.3	40%	0.4	16%	0.157	S	C	.	.	H	α-helix	trans	-65.7	-42.4	176.6	178.2	0	0	0	0	110.7	L171 I206 V212 I213 L214	L171-V210 HydrophobicContact CD1-CB 4.41Å; L171-V210 HydrophobicContact CD1-CG1 3.74Å; I206-V210 HydrophobicContact CG2-CG2 4.45Å; I206-V210 WeakPolarHBondContact O-CG2 3.31Å; I206-V210 PolarHBondContact O-N 3.48Å; V210-V212 PolarHBondContact O-N 3.44Å; V210-I213 PolarHBondContact O-N 2.93Å; V210-L214 HydrophobicContact CG1-CD1 3.99Å; V210-L214 WeakPolarHBondContact O-CG 3.4Å; V210-L214 PolarHBondContact O-N 2.77Å
211	G	97.3	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-33.7	179.5	0	0	0	0	0	114	V207 A215	V207-G211 WeakPolarHBondContact O-CA 3.43Å; V207-G211 PolarHBondContact O-N 2.89Å; G211-A215 VanDerWaalsContact O-CB 3.22Å; G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 3.13Å
212	V	96.8	Very high	95.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-72.6	-37	175.5	75.7	0	0	0	0	111.9	I122 K208 G209 V210 L214 A215 V216 K224 P227 P487	I122-V212 HydrophobicContact CD1-CG1 4.44Å; I122-V212 HydrophobicContact CG2-CG1 4.16Å; K208-V212 WeakPolarHBondContact O-CB 3.29Å; K208-V212 WeakPolarHBondContact O-CG1 3.31Å; K208-V212 PolarHBondContact O-N 3.18Å; G209-V212 WeakPolarHBondContact O-CG1 3.46Å; G209-V212 PolarHBondContact O-N 3.33Å; V210-V212 PolarHBondContact O-N 3.44Å; V212-L214 VanDerWaalsContact C-N 3.34Å; V212-L214 PolarHBondContact O-N 2.91Å; V212-A215 PolarHBondContact O-N 3.39Å; V212-V216 HydrophobicContact CG2-CG2 4.18Å; V212-V216 WeakPolarHBondContact O-CB 3.37Å; V212-V216 WeakPolarHBondContact O-CG2 3.47Å; V212-V216 PolarHBondContact O-N 2.83Å; V212-K224 HydrophobicContact CG2-CB 3.98Å; V212-P227 HydrophobicContact CB-CB 4.31Å; V212-P227 HydrophobicContact CB-CG 4.41Å; V212-P227 HydrophobicContact CG1-CB 4.46Å; V212-P227 HydrophobicContact CG2-CB 4.14Å; V212-P227 HydrophobicContact CG2-CG 3.89Å; V212-P487 HydrophobicContact CB-CB 4.04Å
213	I	97	Very high	95.3	Very high	24 Å²	24	18.5 Å²	18.5	12%	0.123	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-51.1	171.7	-66.4	162.1	0	0	0	109.6	I122 A125 I126 I129 G209 V210 S217	I122-I213 HydrophobicContact CB-CG1 4.38Å; I122-I213 HydrophobicContact CG1-CD1 4.15Å; I122-I213 HydrophobicContact CG1-CG1 4.26Å; I122-I213 HydrophobicContact CG2-CG1 4.07Å; A125-I213 HydrophobicContact CB-CD1 3.81Å; A125-I213 HydrophobicContact CB-CG1 4.16Å; A125-I213 HydrophobicContact CB-CG2 3.89Å; I126-I213 HydrophobicContact CD1-CG1 4.42Å; I126-I213 HydrophobicContact CG1-CB 4.18Å; I126-I213 HydrophobicContact CG1-CG1 4.12Å; I126-I213 HydrophobicContact CG1-CG2 4.1Å; I129-I213 HydrophobicContact CD1-CG2 3.76Å; G209-I213 WeakPolarHBondContact O-CD1 3.29Å; G209-I213 VanDerWaalsContact O-CG1 3.3Å; G209-I213 WeakPolarHBondContact O-CG1 2.96Å; G209-I213 PolarHBondContact O-N 3.31Å; V210-I213 PolarHBondContact O-N 2.93Å; I213-S217 VanDerWaalsContact O-CB 3.27Å; I213-S217 WeakPolarHBondContact O-CB 3.34Å; I213-S217 PolarHBondContact O-N 3.08Å; I213-S217 PolarHBondContact O-OG 3.39Å
214	L	96.9	Very high	95.3	Very high	25 Å²	25	15.1 Å²	15.1	13%	0.131	9%	0.089	C	C	.	.	H	α-helix	trans	-67.3	-35.1	-179.9	-67.6	173.7	0	0	0	113.3	L164 V167 A168 L171 V210 V212 G218	L164-L214 HydrophobicContact CD2-CD2 3.68Å; V167-L214 HydrophobicContact CB-CD1 4.18Å; V167-L214 HydrophobicContact CG1-CD1 3.71Å; A168-L214 HydrophobicContact CB-CB 3.78Å; L171-L214 HydrophobicContact CD1-CD1 3.93Å; V210-L214 HydrophobicContact CG1-CD1 3.99Å; V210-L214 WeakPolarHBondContact O-CG 3.4Å; V210-L214 PolarHBondContact O-N 2.77Å; V212-L214 VanDerWaalsContact C-N 3.34Å; V212-L214 PolarHBondContact O-N 2.91Å; L214-G218 WeakPolarHBondContact O-CA 3.33Å; L214-G218 PolarHBondContact O-N 2.95Å
215	A	96.3	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.8	-43.9	178.4	0	0	0	0	0	112.6	G211 V212 G218 G219 L220 V222 V486	G211-A215 VanDerWaalsContact O-CB 3.22Å; G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 3.13Å; V212-A215 PolarHBondContact O-N 3.39Å; A215-G218 PolarHBondContact O-N 3.27Å; A215-G219 PolarHBondContact O-N 2.91Å; A215-L220 HydrophobicContact CB-CD1 4.49Å; A215-V222 HydrophobicContact CB-CG2 4.29Å; A215-V486 HydrophobicContact CB-CB 4.43Å
216	V	94.6	Very high	95	Very high	6 Å²	6	12.8 Å²	12.8	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-69.7	-48	176.7	177	0	0	0	0	110.6	I126 V212 G218 G219 V222 K224	I126-V216 HydrophobicContact CD1-CB 4Å; I126-V216 HydrophobicContact CD1-CG1 4.2Å; I126-V216 HydrophobicContact CD1-CG2 4.24Å; I126-V216 HydrophobicContact CG1-CB 4.4Å; I126-V216 HydrophobicContact CG2-CB 4.42Å; I126-V216 HydrophobicContact CG2-CG1 3.71Å; V212-V216 HydrophobicContact CG2-CG2 4.18Å; V212-V216 WeakPolarHBondContact O-CB 3.37Å; V212-V216 WeakPolarHBondContact O-CG2 3.47Å; V212-V216 PolarHBondContact O-N 2.83Å; V216-G218 PolarHBondContact O-N 3.44Å; V216-G219 PolarHBondContact O-N 3.23Å; V216-V222 HydrophobicContact CG2-CG2 3.91Å; V216-K224 HydrophobicContact CG2-CB 4.36Å
217	S	94.3	Very high	95	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.1	-22.7	175.2	-69.6	0	0	0	0	113.1	S130 K133 I213 G219	S130-S217 PolarHBondContact OG-OG 3.28Å; K133-S217 PolarHBondContact NZ-O 3.05Å; I213-S217 VanDerWaalsContact O-CB 3.27Å; I213-S217 WeakPolarHBondContact O-CB 3.34Å; I213-S217 PolarHBondContact O-N 3.08Å; I213-S217 PolarHBondContact O-OG 3.39Å; S217-G219 PolarHBondContact O-N 3.41Å
218	G	93.1	Very high	94.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	0.1	167.4	0	0	0	0	0	114.6	N161 L214 A215 V216 L220 S398	N161-G218 WeakPolarHBondContact CB-O 3.45Å; N161-G218 PolarHBondContact ND2-O 3.17Å; L214-G218 WeakPolarHBondContact O-CA 3.33Å; L214-G218 PolarHBondContact O-N 2.95Å; A215-G218 PolarHBondContact O-N 3.27Å; V216-G218 PolarHBondContact O-N 3.44Å; G218-L220 VanDerWaalsContact C-N 3.29Å; G218-L220 PolarHBondContact O-N 2.88Å; G218-S398 PolarHBondContact O-OG 2.87Å
219	G	90.4	Very high	94.8	Very high	19 Å²	19	8.4 Å²	8.4	20%	0.196	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	21.5	171.5	0	0	0	0	0	115.4	A215 V216 S217	A215-G219 PolarHBondContact O-N 2.91Å; V216-G219 PolarHBondContact O-N 3.23Å; S217-G219 PolarHBondContact O-N 3.41Å
220	L	93.5	Very high	94.8	Very high	7 Å²	7	8 Å²	8	4%	0.037	5%	0.05	C	C	.	.			trans	-68.3	154.9	167.1	-70.2	179.5	0	0	0	110.7	T165 A215 G218 V222 V397 T481 L484 V486	T165-L220 HydrophobicContact CG2-CD1 3.76Å; T165-L220 HydrophobicContact CG2-CD2 4.41Å; T165-L220 HydrophobicContact CG2-CG 4.27Å; A215-L220 HydrophobicContact CB-CD1 4.49Å; G218-L220 VanDerWaalsContact C-N 3.29Å; G218-L220 PolarHBondContact O-N 2.88Å; L220-V222 HydrophobicContact CB-CG1 4.02Å; L220-V222 HydrophobicContact CB-CG2 4.06Å; L220-V222 PolarHBondContact O-N 2.92Å; L220-V397 HydrophobicContact CD2-CG1 4.41Å; L220-T481 HydrophobicContact CB-CG2 3.89Å; L220-T481 HydrophobicContact CD1-CG2 4.36Å; L220-T481 HydrophobicContact CD2-CG2 4.3Å; L220-T481 HydrophobicContact CG-CG2 4.43Å; L220-L484 HydrophobicContact CD1-CD1 4.43Å; L220-V486 HydrophobicContact CD1-CG2 4Å
221	A	94.1	Very high	94.8	Very high	5 Å²	5	5 Å²	5	4%	0.041	3%	0.032	C	C	.	.	S	Bend	trans	-73.1	65.9	174.7	0	0	0	0	0	112	Y474 L477 A478 P493	A221-Y474 HydrophobicContact CB-CE1 4.25Å; A221-Y474 HydrophobicContact CB-CE2 4.08Å; A221-L477 HydrophobicContact CB-CB 4.45Å; A221-A478 HydrophobicContact CB-CB 4.31Å; A221-P493 WeakPolarHBondContact O-CG 3.46Å
222	V	94.5	Very high	94.8	Very high	3 Å²	3	5 Å²	5	2%	0.018	3%	0.032	C	C	.	.			trans	-136.8	152.3	-174.1	-56.7	0	0	0	0	112.3	A215 V216 L220 T481 A488	A215-V222 HydrophobicContact CB-CG2 4.29Å; V216-V222 HydrophobicContact CG2-CG2 3.91Å; L220-V222 HydrophobicContact CB-CG1 4.02Å; L220-V222 HydrophobicContact CB-CG2 4.06Å; L220-V222 PolarHBondContact O-N 2.92Å; V222-T481 HydrophobicContact CG1-CG2 3.4Å; V222-T481 VanDerWaalsContact CG1-CG2 3.4Å; V222-A488 HydrophobicContact CB-CB 3.97Å; V222-A488 HydrophobicContact CG1-CB 3.53Å
223	G	92.4	Very high	94.7	Very high	1 Å²	1	5 Å²	5	1%	0.01	3%	0.031	C	C	.	.	B	Isolated β-bridge	trans	-111.5	155	170.6	0	0	0	0	0	113.1	G489	G223-G489 PolarHBondContact N-O 3.21Å; G223-G489 VanDerWaalsContact O-CA 3.29Å; G223-G489 WeakPolarHBondContact O-CA 3.24Å; G223-G489 PolarHBondContact O-N 2.88Å
224	K	93.9	Very high	94.7	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.017	3%	0.027	C	C	.	.	S	Bend	trans	-82.1	-18	178.7	61.8	-161.7	-176.4	-147.4	0	114.2	I122 D123 I126 V212 V216 G226 P227 M228 L335 E448	I122-K224 HydrophobicContact CG2-CB 4.4Å; I122-K224 HydrophobicContact CG2-CD 4.44Å; D123-K224 WeakPolarHBondContact OD1-CE 3.42Å; D123-K224 IonicContact OD1-NZ 2.86Å; D123-K224 PolarHBondContact OD1-NZ 3.1Å; I126-K224 HydrophobicContact CD1-CB 4.19Å; I126-K224 HydrophobicContact CD1-CD 3.69Å; V212-K224 HydrophobicContact CG2-CB 3.98Å; V216-K224 HydrophobicContact CG2-CB 4.36Å; K224-G226 PolarHBondContact O-N 3.11Å; K224-P227 WeakPolarHBondContact O-CD 3.38Å; K224-M228 PolarHBondContact O-N 2.77Å; K224-L335 HydrophobicContact CD-CD1 4.38Å; K224-L335 HydrophobicContact CG-CD1 4.2Å; K224-E448 VanDerWaalsContact CE-OE1 3.23Å; K224-E448 WeakPolarHBondContact CE-OE1 3.45Å; K224-E448 IonicContact NZ-OE1 3.87Å; K224-E448 PolarHBondContact NZ-OE1 2.87Å; K224-E448 IonicContact NZ-OE2 2.69Å; K224-E448 PolarHBondContact NZ-OE2 2.65Å
225	E	92.2	Very high	94.7	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-60.6	-45.6	-171.7	-47.3	-33.8	127.3	0	0	114.8	M228 A278 F279 L335 V336 I492	E225-M228 WeakPolarHBondContact O-CB 3.42Å; E225-M228 PolarHBondContact O-N 2.99Å; E225-M228 VanDerWaalsContact O-N 3.1Å; E225-A278 HydrophobicContact CB-CB 3.91Å; E225-A278 HydrophobicContact CG-CB 4.33Å; E225-A278 WeakPolarHBondContact OE2-CA 3.28Å; E225-A278 WeakPolarHBondContact OE2-CB 3.31Å; E225-F279 HydrophobicContact CB-CE1 4.33Å; E225-F279 HydrophobicContact CB-CE2 4.28Å; E225-F279 HydrophobicContact CB-CZ 3.82Å; E225-F279 HydrophobicContact CG-CE1 4.11Å; E225-F279 HydrophobicContact CG-CZ 4.12Å; E225-L335 WeakPolarHBondContact OE2-CB 3.07Å; E225-L335 WeakPolarHBondContact OE2-CD1 3.11Å; E225-V336 VanDerWaalsContact CD-CG2 3.46Å; E225-V336 HydrophobicContact CG-CG2 3.77Å; E225-I492 HydrophobicContact CG-CG1 3.99Å
226	G	92.3	Very high	94.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.5	-51	-179.6	0	0	0	0	0	112.8	S182 K224 M228 I229	S182-G226 CarbonylContact O-C 3.59Å; S182-G226 VanDerWaalsContact O-C 3.3Å; K224-G226 PolarHBondContact O-N 3.11Å; G226-M228 PolarHBondContact O-N 3.12Å; G226-I229 WeakPolarHBondContact O-CB 3.48Å; G226-I229 PolarHBondContact O-N 3.33Å; G226-I229 VanDerWaalsContact O-N 3.15Å
227	P	96.2	Very high	94.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-51.9	-31.1	169.4	-33.6	39.6	0	0	0	115.4	S182 K208 V212 K224 I229 H230 I231	S182-P227 WeakPolarHBondContact O-CA 3.49Å; K208-P227 HydrophobicContact CD-CB 4.25Å; K208-P227 HydrophobicContact CG-CB 4.24Å; V212-P227 HydrophobicContact CB-CB 4.31Å; V212-P227 HydrophobicContact CB-CG 4.41Å; V212-P227 HydrophobicContact CG1-CB 4.46Å; V212-P227 HydrophobicContact CG2-CB 4.14Å; V212-P227 HydrophobicContact CG2-CG 3.89Å; K224-P227 WeakPolarHBondContact O-CD 3.38Å; P227-I229 VanDerWaalsContact C-N 3.34Å; P227-I229 PolarHBondContact O-N 2.94Å; P227-H230 PolarHBondContact O-N 2.66Å; P227-I231 WeakPolarHBondContact O-CG1 3.3Å; P227-I231 PolarHBondContact O-N 3.46Å
228	M	95.4	Very high	94.6	Very high	2 Å²	2	6 Å²	6	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-63.7	-37.7	177.9	-162.3	57.9	-119.1	0	0	112.6	T115 S118 A119 I122 K224 E225 G226 I231 G232 A277 L335	T115-M228 HydrophobicContact CG2-CE 3.62Å; T115-M228 WeakPolarHBondContact O-CE 3.48Å; S118-M228 WeakPolarHBondContact OG-CE 3.35Å; A119-M228 HydrophobicContact CB-CE 4.15Å; A119-M228 HydrophobicContact CB-CG 4.35Å; A119-M228 HydrophobicContact CB-SD 3.62Å; I122-M228 HydrophobicContact CD1-SD 4.41Å; K224-M228 PolarHBondContact O-N 2.77Å; E225-M228 WeakPolarHBondContact O-CB 3.42Å; E225-M228 PolarHBondContact O-N 2.99Å; E225-M228 VanDerWaalsContact O-N 3.1Å; G226-M228 PolarHBondContact O-N 3.12Å; M228-I231 HydrophobicContact CE-CB 4.09Å; M228-I231 HydrophobicContact CE-CG2 3.76Å; M228-I231 PolarHBondContact O-N 3.48Å; M228-G232 PolarHBondContact O-N 2.86Å; M228-A277 HydrophobicContact CG-CB 4.47Å; M228-L335 HydrophobicContact CG-CD1 4.29Å
229	I	95.5	Very high	94.6	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-46.7	176.2	-53	176.9	0	0	0	110.3	I184 G226 P227 S233 A271 V275 F288 F491	I184-I229 HydrophobicContact CD1-CD1 3.95Å; I184-I229 HydrophobicContact CG1-CD1 4.05Å; G226-I229 WeakPolarHBondContact O-CB 3.48Å; G226-I229 PolarHBondContact O-N 3.33Å; G226-I229 VanDerWaalsContact O-N 3.15Å; P227-I229 VanDerWaalsContact C-N 3.34Å; P227-I229 PolarHBondContact O-N 2.94Å; I229-S233 PolarHBondContact O-N 2.97Å; I229-S233 PolarHBondContact O-OG 2.71Å; I229-S233 VanDerWaalsContact O-OG 3.07Å; I229-A271 HydrophobicContact CG2-CB 3.94Å; I229-V275 HydrophobicContact CD1-CG2 3.61Å; I229-V275 HydrophobicContact CG1-CG2 3.71Å; I229-V275 HydrophobicContact CG2-CG2 4.4Å; I229-F288 HydrophobicContact CD1-CE1 4.09Å; I229-F288 HydrophobicContact CD1-CE2 4.09Å; I229-F288 HydrophobicContact CD1-CZ 3.71Å; I229-F288 HydrophobicContact CG2-CE1 3.91Å; I229-F288 HydrophobicContact CG2-CZ 4.38Å; I229-F491 HydrophobicContact CD1-CE2 4.44Å
230	H	96.5	Very high	94.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-41.9	176.8	-174.8	-173	0	0	0	111.4	V178 G183 I187 V199 T204 K208 P227 G232 S233 V234	V178-H230 PolarHBondContact O-CE1 3.45Å; G183-H230 WeakPolarHBondContact CA-ND1 3.27Å; I187-H230 HydrophobicContact CG1-CB 4.31Å; V199-H230 WeakPolarHBondContact CA-NE2 3.43Å; V199-H230 WeakPolarHBondContact CG1-NE2 3.2Å; V199-H230 PolarHBondContact O-NE2 3.15Å; T204-H230 WeakPolarHBondContact CG2-CE1 3.37Å; K208-H230 HydrophobicContact CD-CB 4.05Å; K208-H230 VanDerWaalsContact CD-ND1 3.26Å; K208-H230 WeakPolarHBondContact CD-ND1 3.29Å; K208-H230 VanDerWaalsContact CE-ND1 3.3Å; K208-H230 WeakPolarHBondContact CE-ND1 3.38Å; P227-H230 PolarHBondContact O-N 2.66Å; H230-G232 PolarHBondContact O-N 3.01Å; H230-S233 WeakPolarHBondContact O-CB 3.23Å; H230-S233 PolarHBondContact O-N 3.49Å; H230-V234 WeakPolarHBondContact NE2-CG2 3.45Å; H230-V234 WeakPolarHBondContact O-CG2 3.3Å; H230-V234 PolarHBondContact O-N 2.74Å
231	I	97.5	Very high	94.4	Very high	4 Å²	4	8 Å²	8	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-47.9	177.5	-72.3	166.3	0	0	0	111.2	I122 M205 P227 M228 S233 V234 I235	I122-I231 HydrophobicContact CD1-CD1 3.75Å; M205-I231 HydrophobicContact CG-CB 4.39Å; M205-I231 HydrophobicContact CG-CG1 4.16Å; M205-I231 HydrophobicContact CG-CG2 3.98Å; M205-I231 HydrophobicContact SD-CG2 4.47Å; P227-I231 WeakPolarHBondContact O-CG1 3.3Å; P227-I231 PolarHBondContact O-N 3.46Å; M228-I231 HydrophobicContact CE-CB 4.09Å; M228-I231 HydrophobicContact CE-CG2 3.76Å; M228-I231 PolarHBondContact O-N 3.48Å; I231-S233 VanDerWaalsContact C-N 3.33Å; I231-S233 PolarHBondContact O-N 3.24Å; I231-V234 PolarHBondContact O-N 2.75Å; I231-V234 VanDerWaalsContact O-N 3.14Å; I231-I235 HydrophobicContact CG2-CD1 3.88Å; I231-I235 WeakPolarHBondContact O-CG1 3.4Å; I231-I235 PolarHBondContact O-N 2.88Å
232	G	97	Very high	93.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.4	-40.3	174.9	0	0	0	0	0	113.1	M228 H230 V234 I235 A236 G270	M228-G232 PolarHBondContact O-N 2.86Å; H230-G232 PolarHBondContact O-N 3.01Å; G232-V234 PolarHBondContact O-N 2.92Å; G232-I235 PolarHBondContact O-N 3.37Å; G232-A236 PolarHBondContact O-N 2.83Å; G232-G270 CarbonylContact C-O 3.22Å; G232-G270 WeakPolarHBondContact CA-O 3.38Å; G232-G270 WeakPolarHBondContact O-CA 3.49Å
233	S	96.1	Very high	93	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.8	-41.2	172.3	-64.6	0	0	0	0	113.5	I187 I229 H230 I231 A236 A237 A271	I187-S233 VanDerWaalsContact CD1-CB 3.46Å; I229-S233 PolarHBondContact O-N 2.97Å; I229-S233 PolarHBondContact O-OG 2.71Å; I229-S233 VanDerWaalsContact O-OG 3.07Å; H230-S233 WeakPolarHBondContact O-CB 3.23Å; H230-S233 PolarHBondContact O-N 3.49Å; I231-S233 VanDerWaalsContact C-N 3.33Å; I231-S233 PolarHBondContact O-N 3.24Å; S233-A236 PolarHBondContact O-N 3.04Å; S233-A237 WeakPolarHBondContact O-CB 3.48Å; S233-A237 PolarHBondContact O-N 2.89Å; S233-A271 WeakPolarHBondContact OG-CB 3.28Å
234	V	96.7	Very high	91.9	Very high	6 Å²	6	16.2 Å²	16.2	4%	0.036	9%	0.093	C	C	.	.	H	α-helix	trans	-70.3	-38	176.7	-176.4	0	0	0	0	111.5	V199 M200 M205 H230 I231 G232 A236 A237 G238	V199-V234 WeakPolarHBondContact O-CG2 3.47Å; M200-V234 HydrophobicContact SD-CG2 4.14Å; M205-V234 HydrophobicContact CB-CB 4.07Å; M205-V234 HydrophobicContact CB-CG1 3.86Å; M205-V234 HydrophobicContact CB-CG2 4.42Å; M205-V234 HydrophobicContact CG-CB 4.39Å; M205-V234 HydrophobicContact SD-CG1 4.44Å; H230-V234 WeakPolarHBondContact NE2-CG2 3.45Å; H230-V234 WeakPolarHBondContact O-CG2 3.3Å; H230-V234 PolarHBondContact O-N 2.74Å; I231-V234 PolarHBondContact O-N 2.75Å; I231-V234 VanDerWaalsContact O-N 3.14Å; G232-V234 PolarHBondContact O-N 2.92Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 2.89Å; V234-A237 PolarHBondContact O-N 3.33Å; V234-G238 PolarHBondContact O-N 3.4Å
235	I	96.8	Very high	90.5	Very high	19 Å²	19	25.1 Å²	25.1	10%	0.097	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-47.8	174	-72.1	169.2	0	0	0	110	F114 M205 I231 G232 G238 L239	F114-I235 HydrophobicContact CB-CG2 3.81Å; M205-I235 HydrophobicContact SD-CD1 4.37Å; M205-I235 HydrophobicContact SD-CG1 3.68Å; I231-I235 HydrophobicContact CG2-CD1 3.88Å; I231-I235 WeakPolarHBondContact O-CG1 3.4Å; I231-I235 PolarHBondContact O-N 2.88Å; G232-I235 PolarHBondContact O-N 3.37Å; I235-G238 PolarHBondContact O-N 2.87Å; I235-L239 HydrophobicContact CG2-CD1 3.58Å; I235-L239 HydrophobicContact CG2-CG 4.36Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 3.36Å
236	A	95.7	Very high	89.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-42.4	176.1	0	0	0	0	0	114.1	I111 G232 S233 V234 G238 S240 F266	I111-A236 HydrophobicContact CD1-CB 3.69Å; I111-A236 HydrophobicContact CG1-CB 4.07Å; I111-A236 HydrophobicContact CG2-CB 4.08Å; G232-A236 PolarHBondContact O-N 2.83Å; S233-A236 PolarHBondContact O-N 3.04Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 2.89Å; A236-G238 PolarHBondContact O-N 3.27Å; A236-S240 WeakPolarHBondContact O-CB 3.45Å; A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.15Å; A236-S240 PolarHBondContact O-OG 3.31Å; A236-F266 HydrophobicContact CB-CB 4.38Å; A236-F266 WeakPolarHBondContact CB-O 3.46Å
237	A	94.1	Very high	87.7	Confident	8 Å²	8	41.5 Å²	41.5	7%	0.066	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-27.1	175.4	0	0	0	0	0	113.1	M200 S233 V234 Q241 V267	M200-A237 HydrophobicContact CB-CB 3.91Å; M200-A237 HydrophobicContact CG-CB 3.99Å; M200-A237 HydrophobicContact SD-CB 3.85Å; S233-A237 WeakPolarHBondContact O-CB 3.48Å; S233-A237 PolarHBondContact O-N 2.89Å; V234-A237 PolarHBondContact O-N 3.33Å; A237-Q241 VanDerWaalsContact O-CG 3.28Å; A237-Q241 WeakPolarHBondContact O-CG 3.37Å; A237-V267 HydrophobicContact CB-CG2 3.82Å
238	G	92.6	Very high	86.3	Confident	43 Å²	43	50.8 Å²	50.8	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-81.4	-51.5	174.7	0	0	0	0	0	113.3	V234 I235 A236 Q241	V234-G238 PolarHBondContact O-N 3.4Å; I235-G238 PolarHBondContact O-N 2.87Å; A236-G238 PolarHBondContact O-N 3.27Å; G238-Q241 PolarHBondContact O-N 3.16Å
239	L	93	Very high	85.1	Confident	54 Å²	54	56.3 Å²	56.3	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-66.1	-43.9	-174.1	-70.7	171.5	0	0	0	112.7	F110 I111 F114 I235 Q241 G242	F110-L239 HydrophobicContact CB-CD1 4.36Å; I111-L239 HydrophobicContact CG1-CB 4.32Å; I111-L239 HydrophobicContact CG1-CD1 3.84Å; F114-L239 HydrophobicContact CB-CD1 4.47Å; F114-L239 HydrophobicContact CD2-CD1 3.72Å; F114-L239 HydrophobicContact CD2-CD2 4.19Å; F114-L239 HydrophobicContact CE2-CD1 4.49Å; F114-L239 HydrophobicContact CE2-CD2 4.22Å; F114-L239 HydrophobicContact CG-CD1 4.48Å; I235-L239 HydrophobicContact CG2-CD1 3.58Å; I235-L239 HydrophobicContact CG2-CG 4.36Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 3.36Å; L239-Q241 PolarHBondContact O-N 3.45Å; L239-G242 PolarHBondContact O-N 3.32Å
240	S	91.9	Very high	84	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.6	-179.2	54.9	0	0	0	0	113.5	A236	A236-S240 WeakPolarHBondContact O-CB 3.45Å; A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.15Å; A236-S240 PolarHBondContact O-OG 3.31Å
241	Q	88.9	Confident	82.9	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.075	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21.3	-173.9	-55	-51.9	-59.4	0	0	113.2	A237 G238 L239 R243 F257 R258 K263	A237-Q241 VanDerWaalsContact O-CG 3.28Å; A237-Q241 WeakPolarHBondContact O-CG 3.37Å; G238-Q241 PolarHBondContact O-N 3.16Å; L239-Q241 PolarHBondContact O-N 3.45Å; Q241-R243 PolarHBondContact O-N 2.98Å; Q241-F257 PolarHBondContact NE2-O 2.83Å; Q241-R258 PolarHBondContact O-NE 3.14Å; Q241-R258 PolarHBondContact O-NH2 3.09Å; Q241-R258 VanDerWaalsContact O-NH2 3.1Å; Q241-K263 HydrophobicContact CG-CD 4.45Å
242	G	82.6	Confident	81.7	Confident	9 Å²	9	64.9 Å²	64.9	9%	0.093	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	22.6	176.9	0	0	0	0	0	115.2	L239 S250 L251	L239-G242 PolarHBondContact O-N 3.32Å; G242-S250 CarbonylContact O-C 3.35Å; G242-S250 VanDerWaalsContact O-CA 3.31Å; G242-S250 WeakPolarHBondContact O-CA 3.37Å; G242-L251 PolarHBondContact O-N 3.3Å
243	R	76.5	Confident	80.8	Confident	69 Å²	69	67.7 Å²	67.7	26%	0.26	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.6	179.4	-81.4	-173.6	172.9	131.8	4.1	111.2	Q241 R245 F249 R258 D687 D688 Y690	Q241-R243 PolarHBondContact O-N 2.98Å; R243-R245 PolarHBondContact O-N 3.4Å; R243-F249 WeakPolarHBondContact CA-O 3.46Å; R243-R258 VanDerWaalsContact CZ-NH1 3.31Å; R243-R258 VanDerWaalsContact NH2-NH1 3.14Å; R243-D687 VanDerWaalsContact CZ-O 3.25Å; R243-D687 IonicContact CZ-OD1 3.56Å; R243-D687 PolarHBondContact NH1-O 2.94Å; R243-D687 IonicContact NH1-OD1 3.33Å; R243-D687 PolarHBondContact NH2-O 3.25Å; R243-D687 IonicContact NH2-OD1 2.68Å; R243-D687 PolarHBondContact NH2-OD1 3.06Å; R243-D688 IonicContact NH2-OD1 2.66Å; R243-D688 PolarHBondContact NH2-OD1 2.89Å; R243-Y690 PolarHBondContact NH1-O 3.43Å
244	L	68.9	Low	80	Confident	102 Å²	102	68.2 Å²	68.2	53%	0.534	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	93.4	172.3	-71.9	174.1	0	0	0	110	F246 F247 K248 F249	L244-F246 PolarHBondContact O-N 2.92Å; L244-F246 VanDerWaalsContact O-N 3.09Å; L244-F247 PolarHBondContact O-N 3.46Å; L244-K248 PolarHBondContact O-N 2.65Å; L244-K248 VanDerWaalsContact O-N 3.1Å; L244-F249 HydrophobicContact CB-CB 4.49Å; L244-F249 PolarHBondContact N-O 3.27Å; L244-F249 PolarHBondContact O-N 2.91Å
245	R	65	Low	79.2	Confident	192 Å²	192	70.9 Å²	70.9	73%	0.725	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.4	-174.6	-145.2	-178	-152	170.8	15	113.8	R243 S692	R243-R245 PolarHBondContact O-N 3.4Å; R245-S692 PolarHBondContact NH2-OG 3.16Å
246	F	62.9	Low	78.5	Confident	175 Å²	175	72.9 Å²	72.9	77%	0.768	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-37.3	176.3	-73.5	-75.5	0	0	0	113.9	L244	L244-F246 PolarHBondContact O-N 2.92Å; L244-F246 VanDerWaalsContact O-N 3.09Å
247	F	61	Low	78	Confident	169 Å²	169	73.2 Å²	73.2	74%	0.741	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	2.4	-178.2	-71.2	-74.5	0	0	0	113.2	L244 F249	L244-F247 PolarHBondContact O-N 3.46Å; F247-F249 HydrophobicContact CB-CB 4.14Å; F247-F249 PolarHBondContact O-N 2.93Å
248	K	67	Low	77.6	Confident	196 Å²	196	73.8 Å²	73.8	85%	0.852	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	14.3	-166.3	-63.7	-176.6	178	178.7	0	114.4	L244	L244-K248 PolarHBondContact O-N 2.65Å; L244-K248 VanDerWaalsContact O-N 3.1Å
249	F	70.2	Confident	77.3	Confident	118 Å²	118	74 Å²	74	52%	0.518	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.2	-174.9	-174	-105.2	0	0	0	110.6	R243 L244 F247 L251	R243-F249 WeakPolarHBondContact CA-O 3.46Å; L244-F249 HydrophobicContact CB-CB 4.49Å; L244-F249 PolarHBondContact N-O 3.27Å; L244-F249 PolarHBondContact O-N 2.91Å; F247-F249 HydrophobicContact CB-CB 4.14Å; F247-F249 PolarHBondContact O-N 2.93Å; F249-L251 HydrophobicContact CE1-CD1 4.31Å; F249-L251 HydrophobicContact CE1-CD2 3.93Å; F249-L251 HydrophobicContact CE1-CG 3.75Å; F249-L251 HydrophobicContact CZ-CD2 4.04Å; F249-L251 HydrophobicContact CZ-CG 4.34Å
250	S	72.4	Confident	77	Confident	68 Å²	68	72.5 Å²	72.5	48%	0.476	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.7	177.2	72.9	0	0	0	0	112.2	G242 G252	G242-S250 CarbonylContact O-C 3.35Å; G242-S250 VanDerWaalsContact O-CA 3.31Å; G242-S250 WeakPolarHBondContact O-CA 3.37Å; S250-G252 PolarHBondContact O-N 3.12Å
251	L	73.6	Confident	76.7	Confident	70 Å²	70	74.6 Å²	74.6	37%	0.366	36%	0.363	S	S	.	.			trans	-74	115.1	172.6	-75.2	164.8	0	0	0	110	G242 F249 C253 L254 R258	G242-L251 PolarHBondContact O-N 3.3Å; F249-L251 HydrophobicContact CE1-CD1 4.31Å; F249-L251 HydrophobicContact CE1-CD2 3.93Å; F249-L251 HydrophobicContact CE1-CG 3.75Å; F249-L251 HydrophobicContact CZ-CD2 4.04Å; F249-L251 HydrophobicContact CZ-CG 4.34Å; L251-C253 VanDerWaalsContact C-N 3.29Å; L251-C253 PolarHBondContact O-N 2.95Å; L251-L254 HydrophobicContact CB-CD1 3.97Å; L251-L254 HydrophobicContact CB-CG 4.34Å; L251-L254 HydrophobicContact CD1-CD1 3.73Å; L251-L254 PolarHBondContact O-N 2.85Å; L251-R258 PolarHBondContact O-NH2 3.43Å; L251-R258 VanDerWaalsContact O-NH2 3.15Å
252	G	72.5	Confident	76.6	Confident	48 Å²	48	75.8 Å²	75.8	50%	0.495	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-67.8	-25.2	-179.6	0	0	0	0	0	114.2	S250 K255	S250-G252 PolarHBondContact O-N 3.12Å; G252-K255 WeakPolarHBondContact O-CD 3.44Å; G252-K255 VanDerWaalsContact O-CG 3.29Å; G252-K255 WeakPolarHBondContact O-CG 3.11Å
253	C	77.5	Confident	77	Confident	59 Å²	59	76.4 Å²	76.4	40%	0.399	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-68.2	-32.8	177.1	51.8	0	0	0	0	113.3	L103 L251 K255	L103-C253 HydrophobicContact CD1-CB 4.46Å; L103-C253 HydrophobicContact CD2-CB 4.11Å; L103-C253 VanDerWaalsContact CD2-O 3.23Å; L103-C253 WeakPolarHBondContact CD2-O 3.25Å; L251-C253 VanDerWaalsContact C-N 3.29Å; L251-C253 PolarHBondContact O-N 2.95Å; C253-K255 PolarHBondContact O-N 2.98Å
254	L	80.8	Confident	77.6	Confident	12 Å²	12	73.3 Å²	73.3	6%	0.063	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-81.8	4.1	-175.3	-67.1	169.7	0	0	0	113.8	L103 V107 L251 I256 F257	L103-L254 HydrophobicContact CD1-CD2 4.34Å; L103-L254 HydrophobicContact CD2-CD2 3.84Å; L103-L254 HydrophobicContact CG-CD2 3.96Å; V107-L254 HydrophobicContact CG2-CD2 3.42Å; V107-L254 VanDerWaalsContact CG2-CD2 3.42Å; L251-L254 HydrophobicContact CB-CD1 3.97Å; L251-L254 HydrophobicContact CB-CG 4.34Å; L251-L254 HydrophobicContact CD1-CD1 3.73Å; L251-L254 PolarHBondContact O-N 2.85Å; L254-I256 PolarHBondContact O-N 2.81Å; L254-I256 VanDerWaalsContact O-N 3.12Å; L254-F257 HydrophobicContact CD2-CD2 3.7Å; L254-F257 HydrophobicContact CD2-CE2 3.89Å; L254-F257 PolarHBondContact O-N 2.8Å; L254-F257 VanDerWaalsContact O-N 3.11Å
255	K	78.8	Confident	78.6	Confident	62 Å²	62	68.9 Å²	68.9	27%	0.27	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-51.5	-34.1	174.6	-75.3	178	177.1	-96.8	0	112.8	G252 C253 F257 R258 D687	G252-K255 WeakPolarHBondContact O-CD 3.44Å; G252-K255 VanDerWaalsContact O-CG 3.29Å; G252-K255 WeakPolarHBondContact O-CG 3.11Å; C253-K255 PolarHBondContact O-N 2.98Å; K255-F257 PolarHBondContact O-N 3.43Å; K255-R258 PolarHBondContact O-N 2.79Å; K255-D687 VanDerWaalsContact CD-OD2 3.31Å; K255-D687 WeakPolarHBondContact CD-OD2 3.47Å; K255-D687 WeakPolarHBondContact CE-OD2 3.49Å; K255-D687 VanDerWaalsContact CG-OD2 3.29Å; K255-D687 WeakPolarHBondContact CG-OD2 3.07Å; K255-D687 IonicContact NZ-OD2 2.76Å; K255-D687 PolarHBondContact NZ-OD2 3.39Å
256	I	81.8	Confident	79.9	Confident	61 Å²	61	59.8 Å²	59.8	31%	0.313	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.1	-178.1	-164.3	162.7	0	0	0	114.4	L103 L254	L103-I256 HydrophobicContact CD2-CG2 4.34Å; L254-I256 PolarHBondContact O-N 2.81Å; L254-I256 VanDerWaalsContact O-N 3.12Å
257	F	86.4	Confident	81.4	Confident	7 Å²	7	51.4 Å²	51.4	3%	0.031	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-104.8	10.8	-179.7	-54.8	-47.5	0	0	0	114	L103 R104 V107 Q241 L254 K255 N259 E262 F266	L103-F257 HydrophobicContact CB-CE2 4.18Å; L103-F257 HydrophobicContact CB-CZ 4.25Å; L103-F257 HydrophobicContact CD2-CE2 3.81Å; L103-F257 HydrophobicContact CD2-CZ 4.4Å; L103-F257 HydrophobicContact CG-CE2 3.86Å; L103-F257 HydrophobicContact CG-CZ 4.42Å; R104-F257 HydrophobicContact CB-CE1 4.02Å; R104-F257 HydrophobicContact CB-CZ 3.68Å; V107-F257 HydrophobicContact CG2-CD2 4.44Å; V107-F257 HydrophobicContact CG2-CE2 4.19Å; Q241-F257 PolarHBondContact NE2-O 2.83Å; L254-F257 HydrophobicContact CD2-CD2 3.7Å; L254-F257 HydrophobicContact CD2-CE2 3.89Å; L254-F257 PolarHBondContact O-N 2.8Å; L254-F257 VanDerWaalsContact O-N 3.11Å; K255-F257 PolarHBondContact O-N 3.43Å; F257-N259 VanDerWaalsContact C-N 3.26Å; F257-N259 PolarHBondContact O-N 3.3Å; F257-N259 VanDerWaalsContact O-N 3.08Å; F257-E262 HydrophobicContact CB-CB 4.4Å; F257-E262 HydrophobicContact CD1-CG 4.31Å; F257-E262 VanDerWaalsContact CD1-OE2 3.31Å; F257-E262 WeakPolarHBondContact CD1-OE2 3.3Å; F257-F266 HydrophobicContact CB-CE2 3.84Å; F257-F266 AromaticContact CD1-CE2 3.75Å; F257-F266 HydrophobicContact CD1-CE2 3.75Å; F257-F266 AromaticContact CD1-CZ 3.96Å; F257-F266 HydrophobicContact CD1-CZ 3.96Å; F257-F266 HydrophobicContact CD2-CE2 4.09Å; F257-F266 HydrophobicContact CD2-CZ 4.02Å; F257-F266 HydrophobicContact CE1-CE2 4.36Å; F257-F266 HydrophobicContact CE1-CZ 4.12Å; F257-F266 HydrophobicContact CE2-CZ 4.16Å; F257-F266 AromaticContact CG-CE2 3.62Å; F257-F266 HydrophobicContact CG-CE2 3.62Å; F257-F266 AromaticContact CG-CZ 3.94Å; F257-F266 HydrophobicContact CG-CZ 3.94Å; F257-F266 HydrophobicContact CZ-CZ 4.24Å
258	R	85.8	Confident	82.9	Confident	19 Å²	19	43.5 Å²	43.5	7%	0.072	23%	0.229	C	C	.	.			trans	-87.5	64.9	179.7	-67.3	177.2	-176.8	157	9.7	111.5	Q241 R243 L251 K255 D687 Y690	Q241-R258 PolarHBondContact O-NE 3.14Å; Q241-R258 PolarHBondContact O-NH2 3.09Å; Q241-R258 VanDerWaalsContact O-NH2 3.1Å; R243-R258 VanDerWaalsContact CZ-NH1 3.31Å; R243-R258 VanDerWaalsContact NH2-NH1 3.14Å; L251-R258 PolarHBondContact O-NH2 3.43Å; L251-R258 VanDerWaalsContact O-NH2 3.15Å; K255-R258 PolarHBondContact O-N 2.79Å; R258-D687 WeakPolarHBondContact CD-OD1 3.23Å; R258-D687 IonicContact CZ-OD1 2.92Å; R258-D687 IonicContact NE-OD1 2.65Å; R258-D687 IonicContact NH1-OD1 2.93Å; R258-D687 PolarHBondContact NH1-OD1 3.13Å; R258-D687 IonicContact NH1-OD2 3.24Å; R258-Y690 HydrophobicContact CB-CD1 3.93Å; R258-Y690 HydrophobicContact CB-CE1 4.4Å
259	N	85.5	Confident	84.2	Confident	49 Å²	49	34.2 Å²	34.2	26%	0.262	19%	0.188	S	C	.	.	S	Bend	trans	-143	147.3	170.8	-176.7	15.5	0	0	0	108	F257 Q261 E262 K263	F257-N259 VanDerWaalsContact C-N 3.26Å; F257-N259 PolarHBondContact O-N 3.3Å; F257-N259 VanDerWaalsContact O-N 3.08Å; N259-Q261 PolarHBondContact O-N 3.41Å; N259-E262 PolarHBondContact O-N 2.93Å; N259-K263 WeakPolarHBondContact O-CB 3.47Å; N259-K263 PolarHBondContact O-N 2.94Å
260	D	86.2	Confident	85.4	Confident	22 Å²	22	28.6 Å²	28.6	12%	0.118	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-27.4	-179.5	-88.8	-61.9	0	0	0	113.1	F74 Y76 K263 R264 Y690	F74-D260 HydrophobicContact CD1-CB 4.28Å; Y76-D260 HydrophobicContact CD1-CB 4.06Å; Y76-D260 HydrophobicContact CE1-CB 4.09Å; D260-K263 WeakPolarHBondContact OD1-CD 3.41Å; D260-K263 IonicContact OD1-NZ 3.75Å; D260-K263 PolarHBondContact OD1-NZ 3.2Å; D260-K263 IonicContact OD2-NZ 3.63Å; D260-R264 WeakPolarHBondContact O-CB 3.34Å; D260-R264 PolarHBondContact O-N 3.4Å; D260-Y690 PolarHBondContact OD1-OH 3.19Å; D260-Y690 VanDerWaalsContact OD2-CE2 3.28Å; D260-Y690 WeakPolarHBondContact OD2-CE2 3.27Å; D260-Y690 PolarHBondContact OD2-OH 2.96Å
261	Q	85.4	Confident	86.5	Confident	44 Å²	44	25.4 Å²	25.4	21%	0.206	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-60	171	-170.1	-170.5	17.3	0	0	112.5	N259 K263 R264 D265	N259-Q261 PolarHBondContact O-N 3.41Å; Q261-K263 VanDerWaalsContact C-N 3.35Å; Q261-K263 PolarHBondContact O-N 3.35Å; Q261-R264 PolarHBondContact O-N 2.91Å; Q261-D265 PolarHBondContact O-N 3.17Å
262	E	88.2	Confident	87.6	Confident	40 Å²	40	22 Å²	22	19%	0.187	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.5	-77.4	-70.5	129.9	0	0	111	R104 F257 N259 R264 D265 F266	R104-E262 IonicContact CZ-OE2 2.9Å; R104-E262 IonicContact NH1-OE1 3.73Å; R104-E262 PolarHBondContact NH1-OE1 3.32Å; R104-E262 IonicContact NH1-OE2 3.77Å; R104-E262 PolarHBondContact NH1-OE2 3.41Å; F257-E262 HydrophobicContact CB-CB 4.4Å; F257-E262 HydrophobicContact CD1-CG 4.31Å; F257-E262 VanDerWaalsContact CD1-OE2 3.31Å; F257-E262 WeakPolarHBondContact CD1-OE2 3.3Å; N259-E262 PolarHBondContact O-N 2.93Å; E262-R264 VanDerWaalsContact C-N 3.31Å; E262-R264 PolarHBondContact O-N 3.48Å; E262-D265 WeakPolarHBondContact O-CB 3.24Å; E262-D265 PolarHBondContact O-N 3.15Å; E262-D265 VanDerWaalsContact O-N 3.15Å; E262-F266 HydrophobicContact CB-CE2 4.36Å; E262-F266 WeakPolarHBondContact O-CD2 3.38Å; E262-F266 PolarHBondContact O-N 3.11Å
263	K	90.6	Very high	88.7	Confident	22 Å²	22	19.8 Å²	19.8	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-57.9	-41.1	176.7	-179.9	179.2	160	-146.1	0	112	Y190 Q241 N259 D260 Q261 V267 Y690	Y190-K263 VanDerWaalsContact OH-CE 3.23Å; Y190-K263 WeakPolarHBondContact OH-CE 3.31Å; Q241-K263 HydrophobicContact CG-CD 4.45Å; N259-K263 WeakPolarHBondContact O-CB 3.47Å; N259-K263 PolarHBondContact O-N 2.94Å; D260-K263 WeakPolarHBondContact OD1-CD 3.41Å; D260-K263 IonicContact OD1-NZ 3.75Å; D260-K263 PolarHBondContact OD1-NZ 3.2Å; D260-K263 IonicContact OD2-NZ 3.63Å; Q261-K263 VanDerWaalsContact C-N 3.35Å; Q261-K263 PolarHBondContact O-N 3.35Å; K263-V267 WeakPolarHBondContact O-CB 3.46Å; K263-V267 WeakPolarHBondContact O-CG2 3.21Å; K263-V267 PolarHBondContact O-N 2.99Å; K263-Y690 WeakPolarHBondContact CD-OH 3.49Å; K263-Y690 PolarHBondContact NZ-OH 3.35Å
264	R	88.7	Confident	89.6	Confident	5 Å²	5	17 Å²	17	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-44.7	173.9	-175.9	-150.5	67.3	177.1	-2.7	111.5	Y76 L191 D260 Q261 E262 F266 V267 S268 F296	Y76-R264 HydrophobicContact CE1-CB 3.86Å; Y76-R264 HydrophobicContact CE1-CG 4.16Å; Y76-R264 VanDerWaalsContact CE2-CD 3.44Å; Y76-R264 HydrophobicContact CE2-CG 4.23Å; Y76-R264 VanDerWaalsContact CZ-CD 3.47Å; L191-R264 HydrophobicContact CD2-CG 3.56Å; D260-R264 WeakPolarHBondContact O-CB 3.34Å; D260-R264 PolarHBondContact O-N 3.4Å; Q261-R264 PolarHBondContact O-N 2.91Å; E262-R264 VanDerWaalsContact C-N 3.31Å; E262-R264 PolarHBondContact O-N 3.48Å; R264-F266 VanDerWaalsContact C-N 3.33Å; R264-F266 PolarHBondContact O-N 3.31Å; R264-V267 CarbonylContact O-C 3.53Å; R264-V267 WeakPolarHBondContact O-CA 3.47Å; R264-V267 WeakPolarHBondContact O-CB 3.45Å; R264-V267 PolarHBondContact O-N 3.36Å; R264-S268 PolarHBondContact O-N 3.07Å; R264-S268 PolarHBondContact O-OG 3.24Å; R264-F296 VanDerWaalsContact NH2-CE2 3.27Å
265	D	90	Very high	90.3	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.043	8%	0.078	C	C	.	.	H	α-helix	trans	-56	-45.5	174.9	-88.4	27.4	0	0	0	112	R104 Q261 E262 S268 A269 L301	R104-D265 IonicContact CZ-OD2 2.88Å; R104-D265 IonicContact NH1-OD2 2.78Å; R104-D265 IonicContact NH2-OD2 3.11Å; R104-D265 PolarHBondContact NH2-OD2 3.23Å; Q261-D265 PolarHBondContact O-N 3.17Å; E262-D265 WeakPolarHBondContact O-CB 3.24Å; E262-D265 PolarHBondContact O-N 3.15Å; E262-D265 VanDerWaalsContact O-N 3.15Å; D265-S268 PolarHBondContact O-N 2.93Å; D265-A269 PolarHBondContact O-N 3.49Å; D265-L301 HydrophobicContact CB-CD1 3.81Å
266	F	93.8	Very high	91.1	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-40.1	172.8	-71.2	-69.3	0	0	0	112.1	R104 V107 L108 I111 A236 F257 E262 R264 S268 A269 G270	R104-F266 HydrophobicContact CB-CZ 4.34Å; R104-F266 HydrophobicContact CG-CE1 3.89Å; R104-F266 HydrophobicContact CG-CZ 3.76Å; V107-F266 HydrophobicContact CB-CE1 3.86Å; V107-F266 HydrophobicContact CB-CZ 4.34Å; V107-F266 HydrophobicContact CG1-CD1 3.7Å; V107-F266 HydrophobicContact CG1-CE1 3.44Å; V107-F266 VanDerWaalsContact CG1-CE1 3.44Å; V107-F266 HydrophobicContact CG1-CG 4.45Å; V107-F266 HydrophobicContact CG1-CZ 4.05Å; L108-F266 HydrophobicContact CD2-CD1 3.96Å; L108-F266 HydrophobicContact CD2-CE1 4.23Å; L108-F266 HydrophobicContact CG-CD1 4.24Å; L108-F266 HydrophobicContact CG-CE1 4.03Å; I111-F266 HydrophobicContact CD1-CB 4.13Å; I111-F266 HydrophobicContact CD1-CD1 3.79Å; I111-F266 HydrophobicContact CD1-CG 4.34Å; A236-F266 HydrophobicContact CB-CB 4.38Å; A236-F266 WeakPolarHBondContact CB-O 3.46Å; F257-F266 HydrophobicContact CB-CE2 3.84Å; F257-F266 AromaticContact CD1-CE2 3.75Å; F257-F266 HydrophobicContact CD1-CE2 3.75Å; F257-F266 AromaticContact CD1-CZ 3.96Å; F257-F266 HydrophobicContact CD1-CZ 3.96Å; F257-F266 HydrophobicContact CD2-CE2 4.09Å; F257-F266 HydrophobicContact CD2-CZ 4.02Å; F257-F266 HydrophobicContact CE1-CE2 4.36Å; F257-F266 HydrophobicContact CE1-CZ 4.12Å; F257-F266 HydrophobicContact CE2-CZ 4.16Å; F257-F266 AromaticContact CG-CE2 3.62Å; F257-F266 HydrophobicContact CG-CE2 3.62Å; F257-F266 AromaticContact CG-CZ 3.94Å; F257-F266 HydrophobicContact CG-CZ 3.94Å; F257-F266 HydrophobicContact CZ-CZ 4.24Å; E262-F266 HydrophobicContact CB-CE2 4.36Å; E262-F266 WeakPolarHBondContact O-CD2 3.38Å; E262-F266 PolarHBondContact O-N 3.11Å; R264-F266 VanDerWaalsContact C-N 3.33Å; R264-F266 PolarHBondContact O-N 3.31Å; F266-S268 VanDerWaalsContact C-N 3.34Å; F266-S268 PolarHBondContact O-N 3.12Å; F266-A269 CarbonylContact O-C 3.2Å; F266-A269 WeakPolarHBondContact O-CB 3.31Å; F266-A269 PolarHBondContact O-N 3.16Å; F266-A269 VanDerWaalsContact O-N 3.16Å; F266-G270 PolarHBondContact O-N 3.2Å
267	V	93.6	Very high	91.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-38.2	176.6	165	0	0	0	0	112.2	Y190 L191 M200 A237 K263 R264 G270 A271	Y190-V267 HydrophobicContact CD1-CG1 4.05Å; Y190-V267 HydrophobicContact CE1-CB 4.33Å; Y190-V267 HydrophobicContact CE1-CG1 4.08Å; Y190-V267 HydrophobicContact CE1-CG2 4.19Å; L191-V267 HydrophobicContact CD2-CB 4.34Å; L191-V267 HydrophobicContact CD2-CG1 3.79Å; L191-V267 HydrophobicContact CG-CG1 4.4Å; M200-V267 HydrophobicContact CE-CB 4.31Å; M200-V267 HydrophobicContact CE-CG1 3.47Å; M200-V267 VanDerWaalsContact CE-CG1 3.47Å; M200-V267 HydrophobicContact CE-CG2 3.76Å; A237-V267 HydrophobicContact CB-CG2 3.82Å; K263-V267 WeakPolarHBondContact O-CB 3.46Å; K263-V267 WeakPolarHBondContact O-CG2 3.21Å; K263-V267 PolarHBondContact O-N 2.99Å; R264-V267 CarbonylContact O-C 3.53Å; R264-V267 WeakPolarHBondContact O-CA 3.47Å; R264-V267 WeakPolarHBondContact O-CB 3.45Å; R264-V267 PolarHBondContact O-N 3.36Å; V267-G270 PolarHBondContact O-N 2.88Å; V267-A271 PolarHBondContact O-N 3.39Å
268	S	92.8	Very high	92	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-61.3	-43.2	172.1	-61.8	0	0	0	0	111.5	L191 R264 D265 F266 G270 A271 A272	L191-S268 WeakPolarHBondContact CD2-OG 3.36Å; R264-S268 PolarHBondContact O-N 3.07Å; R264-S268 PolarHBondContact O-OG 3.24Å; D265-S268 PolarHBondContact O-N 2.93Å; F266-S268 VanDerWaalsContact C-N 3.34Å; F266-S268 PolarHBondContact O-N 3.12Å; S268-G270 VanDerWaalsContact C-N 3.34Å; S268-G270 PolarHBondContact O-N 3.19Å; S268-A271 PolarHBondContact O-N 2.87Å; S268-A272 WeakPolarHBondContact O-CB 3.26Å; S268-A272 PolarHBondContact O-N 3.28Å
269	A	94.4	Very high	92.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.2	-37	173.8	0	0	0	0	0	112.5	L108 D265 F266 A273 I305 A308	L108-A269 HydrophobicContact CD2-CB 3.6Å; D265-A269 PolarHBondContact O-N 3.49Å; F266-A269 CarbonylContact O-C 3.2Å; F266-A269 WeakPolarHBondContact O-CB 3.31Å; F266-A269 PolarHBondContact O-N 3.16Å; F266-A269 VanDerWaalsContact O-N 3.16Å; A269-A273 WeakPolarHBondContact O-CB 3.45Å; A269-A273 PolarHBondContact O-N 3.38Å; A269-I305 HydrophobicContact CB-CG1 3.97Å; A269-A308 HydrophobicContact CB-CB 4.07Å
270	G	95.7	Very high	92.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.2	-38.9	173.9	0	0	0	0	0	113.6	G232 F266 V267 S268 G274	G232-G270 CarbonylContact C-O 3.22Å; G232-G270 WeakPolarHBondContact CA-O 3.38Å; G232-G270 WeakPolarHBondContact O-CA 3.49Å; F266-G270 PolarHBondContact O-N 3.2Å; V267-G270 PolarHBondContact O-N 2.88Å; S268-G270 VanDerWaalsContact C-N 3.34Å; S268-G270 PolarHBondContact O-N 3.19Å; G270-G274 PolarHBondContact O-N 3.13Å
271	A	95.1	Very high	92.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	3%	0.031	C	C	.	.	H	α-helix	trans	-63.2	-49.9	173.9	0	0	0	0	0	110.8	I187 I229 S233 V267 S268 A273 G274 V275	I187-A271 HydrophobicContact CG2-CB 4.32Å; I229-A271 HydrophobicContact CG2-CB 3.94Å; S233-A271 WeakPolarHBondContact OG-CB 3.28Å; V267-A271 PolarHBondContact O-N 3.39Å; S268-A271 PolarHBondContact O-N 2.87Å; A271-A273 PolarHBondContact O-N 3.44Å; A271-G274 WeakPolarHBondContact O-CA 3.39Å; A271-G274 PolarHBondContact O-N 3.04Å; A271-G274 VanDerWaalsContact O-N 3.07Å; A271-V275 PolarHBondContact O-N 2.93Å
272	A	95.5	Very high	93.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.3	-43	176.5	0	0	0	0	0	112.6	S268 G274 V275 A276 G285 I305 S309	S268-A272 WeakPolarHBondContact O-CB 3.26Å; S268-A272 PolarHBondContact O-N 3.28Å; A272-G274 PolarHBondContact O-N 3.24Å; A272-V275 PolarHBondContact O-N 2.88Å; A272-V275 VanDerWaalsContact O-N 3.17Å; A272-A276 WeakPolarHBondContact O-CB 3.39Å; A272-A276 PolarHBondContact O-N 3.4Å; A272-G285 WeakPolarHBondContact CA-O 3.23Å; A272-G285 WeakPolarHBondContact CB-O 3.36Å; A272-I305 HydrophobicContact CB-CG2 3.35Å; A272-S309 WeakPolarHBondContact CB-OG 3.43Å
273	A	96.8	Very high	93.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.1	-31.7	173.5	0	0	0	0	0	113	T115 A269 A271 A277 S312	T115-A273 HydrophobicContact CG2-CB 4.09Å; A269-A273 WeakPolarHBondContact O-CB 3.45Å; A269-A273 PolarHBondContact O-N 3.38Å; A271-A273 PolarHBondContact O-N 3.44Å; A273-A277 WeakPolarHBondContact O-CB 3.26Å; A273-A277 PolarHBondContact O-N 3.07Å; A273-S312 WeakPolarHBondContact O-CB 3.4Å; A273-S312 PolarHBondContact O-OG 3.21Å
274	G	96.2	Very high	93.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-69.4	-43.3	172.2	0	0	0	0	0	112.8	G270 A271 A272 A277 A278	G270-G274 PolarHBondContact O-N 3.13Å; A271-G274 WeakPolarHBondContact O-CA 3.39Å; A271-G274 PolarHBondContact O-N 3.04Å; A271-G274 VanDerWaalsContact O-N 3.07Å; A272-G274 PolarHBondContact O-N 3.24Å; G274-A277 PolarHBondContact O-N 2.87Å; G274-A278 VanDerWaalsContact O-CB 3.29Å; G274-A278 WeakPolarHBondContact O-CB 3.37Å; G274-A278 PolarHBondContact O-N 3.46Å
275	V	94.8	Very high	94	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.8	-42.5	173.6	-179.3	0	0	0	0	111.2	I229 A271 A272 A277 A278 F279 F288 I545	I229-V275 HydrophobicContact CD1-CG2 3.61Å; I229-V275 HydrophobicContact CG1-CG2 3.71Å; I229-V275 HydrophobicContact CG2-CG2 4.4Å; A271-V275 PolarHBondContact O-N 2.93Å; A272-V275 PolarHBondContact O-N 2.88Å; A272-V275 VanDerWaalsContact O-N 3.17Å; V275-A277 PolarHBondContact O-N 3.35Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.92Å; V275-F279 HydrophobicContact CG1-CD2 3.85Å; V275-F279 HydrophobicContact CG1-CE2 4.3Å; V275-F279 PolarHBondContact O-N 3.3Å; V275-F288 HydrophobicContact CG2-CB 4.16Å; V275-F288 HydrophobicContact CG2-CD1 3.67Å; V275-F288 HydrophobicContact CG2-CD2 4.21Å; V275-F288 HydrophobicContact CG2-CE1 4.15Å; V275-F288 HydrophobicContact CG2-CG 3.75Å; V275-I545 HydrophobicContact CG1-CD1 3.79Å; V275-I545 HydrophobicContact CG1-CG1 4.22Å
276	A	95.6	Very high	94.2	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.9	-38.8	179.1	0	0	0	0	0	112.4	A272 G280 P282 S309	A272-A276 WeakPolarHBondContact O-CB 3.39Å; A272-A276 PolarHBondContact O-N 3.4Å; A276-G280 WeakPolarHBondContact O-CA 3.42Å; A276-G280 PolarHBondContact O-N 3.49Å; A276-P282 HydrophobicContact CB-CB 4.43Å; A276-S309 WeakPolarHBondContact CB-O 3.32Å
277	A	94.7	Very high	94.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.1	-41.6	171.2	0	0	0	0	0	112.2	A119 M228 A273 G274 V275 L316 G334 L335	A119-A277 HydrophobicContact CB-CB 3.82Å; M228-A277 HydrophobicContact CG-CB 4.47Å; A273-A277 WeakPolarHBondContact O-CB 3.26Å; A273-A277 PolarHBondContact O-N 3.07Å; G274-A277 PolarHBondContact O-N 2.87Å; V275-A277 PolarHBondContact O-N 3.35Å; A277-L316 HydrophobicContact CB-CD2 4.26Å; A277-L316 WeakPolarHBondContact O-CD2 3.39Å; A277-G334 CarbonylContact O-C 3.52Å; A277-G334 VanDerWaalsContact O-CA 3.25Å; A277-G334 WeakPolarHBondContact O-CA 3.47Å; A277-L335 PolarHBondContact O-N 2.89Å
278	A	93.3	Very high	94	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.6	-59.1	-179.7	0	0	0	0	0	112.8	E225 G274 V275 L335 V336	E225-A278 HydrophobicContact CB-CB 3.91Å; E225-A278 HydrophobicContact CG-CB 4.33Å; E225-A278 WeakPolarHBondContact OE2-CA 3.28Å; E225-A278 WeakPolarHBondContact OE2-CB 3.31Å; G274-A278 VanDerWaalsContact O-CB 3.29Å; G274-A278 WeakPolarHBondContact O-CB 3.37Å; G274-A278 PolarHBondContact O-N 3.46Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.92Å; A278-L335 WeakPolarHBondContact O-CB 3.36Å; A278-L335 PolarHBondContact O-N 3.34Å; A278-V336 PolarHBondContact O-N 3.04Å
279	F	91.6	Very high	93.8	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.018	4%	0.041	C	C	.	.	H	α-helix	trans	-101.9	-9.7	-170.6	-56.6	-79.8	0	0	0	114.4	E225 V275 A281 F491 I545	E225-F279 HydrophobicContact CB-CE1 4.33Å; E225-F279 HydrophobicContact CB-CE2 4.28Å; E225-F279 HydrophobicContact CB-CZ 3.82Å; E225-F279 HydrophobicContact CG-CE1 4.11Å; E225-F279 HydrophobicContact CG-CZ 4.12Å; V275-F279 HydrophobicContact CG1-CD2 3.85Å; V275-F279 HydrophobicContact CG1-CE2 4.3Å; V275-F279 PolarHBondContact O-N 3.3Å; F279-A281 VanDerWaalsContact C-N 3.29Å; F279-A281 HydrophobicContact CB-CB 4.06Å; F279-F491 HydrophobicContact CE1-CB 4.38Å; F279-F491 HydrophobicContact CE1-CD1 4.48Å; F279-F491 HydrophobicContact CE1-CG 4.48Å; F279-F491 HydrophobicContact CZ-CB 4.03Å; F279-F491 AromaticContact CZ-CD1 3.86Å; F279-F491 HydrophobicContact CZ-CD1 3.86Å; F279-F491 HydrophobicContact CZ-CD2 4.11Å; F279-F491 HydrophobicContact CZ-CE1 4.33Å; F279-F491 AromaticContact CZ-CG 3.75Å; F279-F491 HydrophobicContact CZ-CG 3.75Å; F279-I545 HydrophobicContact CB-CG2 3.75Å; F279-I545 HydrophobicContact CD1-CG2 4.02Å; F279-I545 HydrophobicContact CD2-CG2 3.97Å; F279-I545 HydrophobicContact CG-CG2 3.64Å
280	G	91.6	Very high	93.4	Very high	4 Å²	4	8.5 Å²	8.5	4%	0.041	5%	0.048	C	C	.	.	S	Bend	trans	75.2	20.8	-169.4	0	0	0	0	0	113.2	A276 P282 M313	A276-G280 WeakPolarHBondContact O-CA 3.42Å; A276-G280 PolarHBondContact O-N 3.49Å; G280-P282 VanDerWaalsContact O-CD 3.28Å; G280-P282 WeakPolarHBondContact O-CD 3.45Å; G280-M313 WeakPolarHBondContact O-CE 3.19Å
281	A	93.5	Very high	92.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.			trans	-114.8	87.2	-169.9	0	0	0	0	0	111.6	F279 G285 I545 E548	F279-A281 VanDerWaalsContact C-N 3.29Å; F279-A281 HydrophobicContact CB-CB 4.06Å; A281-G285 PolarHBondContact O-N 3.35Å; A281-I545 HydrophobicContact CB-CB 4.25Å; A281-I545 HydrophobicContact CB-CG1 4.08Å; A281-I545 HydrophobicContact CB-CG2 4.26Å; A281-E548 WeakPolarHBondContact CA-OE2 3.2Å; A281-E548 HydrophobicContact CB-CB 3.9Å; A281-E548 VanDerWaalsContact CB-OE2 3.25Å; A281-E548 WeakPolarHBondContact CB-OE2 3.4Å
282	P	95.1	Very high	91.9	Very high	13 Å²	13	11.4 Å²	11.4	8%	0.084	6%	0.062	C	C	.	.	H	α-helix	trans	-73.3	-35.9	-176.6	28.7	-34.9	0	0	0	113.6	A276 G280 L286 M310 M313 E548	A276-P282 HydrophobicContact CB-CB 4.43Å; G280-P282 VanDerWaalsContact O-CD 3.28Å; G280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-L286 PolarHBondContact O-N 2.97Å; P282-L286 VanDerWaalsContact O-N 3.1Å; P282-M310 HydrophobicContact CB-CG 4.03Å; P282-M313 HydrophobicContact CG-SD 4Å; P282-E548 VanDerWaalsContact CD-OE1 3.31Å; P282-E548 WeakPolarHBondContact CD-OE1 3.2Å
283	V	94.9	Very high	90.4	Very high	55 Å²	55	11.6 Å²	11.6	33%	0.333	6%	0.063	S	C	.	.	H	α-helix	trans	-77.6	-37.1	175.1	-175	0	0	0	0	110.1	G285 L286 L287 L306 V544 E548	V283-G285 VanDerWaalsContact C-N 3.31Å; V283-G285 PolarHBondContact O-N 2.93Å; V283-L286 WeakPolarHBondContact O-CB 3.48Å; V283-L286 PolarHBondContact O-N 3.4Å; V283-L287 HydrophobicContact CG1-CD1 4.38Å; V283-L287 WeakPolarHBondContact O-CG 3.42Å; V283-L287 PolarHBondContact O-N 3.33Å; V283-L306 HydrophobicContact CG2-CD1 4.04Å; V283-V544 HydrophobicContact CB-CG1 4.04Å; V283-V544 HydrophobicContact CG1-CG1 4.08Å; V283-E548 WeakPolarHBondContact CB-OE1 3.34Å; V283-E548 WeakPolarHBondContact CG2-OE1 3.46Å; V283-E548 PolarHBondContact N-OE1 3.02Å; V283-E548 VanDerWaalsContact N-OE1 3.09Å; V283-E548 PolarHBondContact N-OE2 3.07Å; V283-E548 VanDerWaalsContact N-OE2 3.1Å
284	G	93.1	Very high	88.7	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.9	-41	170.4	0	0	0	0	0	112.5	L287 F288 E548	G284-L287 PolarHBondContact O-N 2.75Å; G284-F288 WeakPolarHBondContact O-CB 3.28Å; G284-F288 PolarHBondContact O-N 3.06Å; G284-E548 PolarHBondContact N-OE2 3.35Å
285	G	92.7	Very high	87	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.3	-40	173.8	0	0	0	0	0	114.1	A272 A281 V283 S289	A272-G285 WeakPolarHBondContact CA-O 3.23Å; A272-G285 WeakPolarHBondContact CB-O 3.36Å; A281-G285 PolarHBondContact O-N 3.35Å; V283-G285 VanDerWaalsContact C-N 3.31Å; V283-G285 PolarHBondContact O-N 2.93Å; G285-S289 PolarHBondContact O-N 2.88Å
286	L	93.7	Very high	85.6	Confident	13 Å²	13	13 Å²	13	7%	0.068	7%	0.071	C	C	.	.	H	α-helix	trans	-56.8	-57.2	168.7	166.3	64.6	0	0	0	110.1	P282 V283 F288 S289 L290 T302 I305 L306	P282-L286 PolarHBondContact O-N 2.97Å; P282-L286 VanDerWaalsContact O-N 3.1Å; V283-L286 WeakPolarHBondContact O-CB 3.48Å; V283-L286 PolarHBondContact O-N 3.4Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.92Å; L286-S289 PolarHBondContact O-N 2.78Å; L286-S289 PolarHBondContact O-OG 2.16Å; L286-L290 HydrophobicContact CD1-CD1 4.12Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 4.21Å; L286-L290 HydrophobicContact CG-CD1 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.38Å; L286-L290 PolarHBondContact O-N 2.88Å; L286-T302 HydrophobicContact CD1-CG2 4.01Å; L286-T302 HydrophobicContact CD2-CG2 3.81Å; L286-T302 HydrophobicContact CG-CG2 4.48Å; L286-I305 HydrophobicContact CB-CG2 4.21Å; L286-I305 HydrophobicContact CD1-CB 3.85Å; L286-I305 HydrophobicContact CD1-CG2 3.57Å; L286-L306 HydrophobicContact CD2-CB 4.38Å; L286-L306 HydrophobicContact CD2-CD1 4.38Å
287	L	92.9	Very high	83.9	Confident	52 Å²	52	16.5 Å²	16.5	27%	0.272	9%	0.092	S	C	.	.	H	α-helix	trans	-59.6	-39.4	-177.6	-70.3	173.1	0	0	0	112.4	V283 G284 S289 L290 E291 V544	V283-L287 HydrophobicContact CG1-CD1 4.38Å; V283-L287 WeakPolarHBondContact O-CG 3.42Å; V283-L287 PolarHBondContact O-N 3.33Å; G284-L287 PolarHBondContact O-N 2.75Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.5Å; L287-L290 PolarHBondContact O-N 3.37Å; L287-L290 VanDerWaalsContact O-N 3.09Å; L287-E291 WeakPolarHBondContact O-CB 3.49Å; L287-E291 PolarHBondContact O-N 3.44Å; L287-V544 HydrophobicContact CD1-CB 3.91Å; L287-V544 HydrophobicContact CD1-CG1 4.21Å; L287-V544 HydrophobicContact CD1-CG2 3.6Å
288	F	90.1	Very high	82.8	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-55.3	-46.7	173.6	177.3	-80.4	0	0	0	111.5	I184 I229 V275 G284 L286 L290 E291 E292 F491 M538 S541	I184-F288 HydrophobicContact CG2-CZ 4.05Å; I229-F288 HydrophobicContact CD1-CE1 4.09Å; I229-F288 HydrophobicContact CD1-CE2 4.09Å; I229-F288 HydrophobicContact CD1-CZ 3.71Å; I229-F288 HydrophobicContact CG2-CE1 3.91Å; I229-F288 HydrophobicContact CG2-CZ 4.38Å; V275-F288 HydrophobicContact CG2-CB 4.16Å; V275-F288 HydrophobicContact CG2-CD1 3.67Å; V275-F288 HydrophobicContact CG2-CD2 4.21Å; V275-F288 HydrophobicContact CG2-CE1 4.15Å; V275-F288 HydrophobicContact CG2-CG 3.75Å; G284-F288 WeakPolarHBondContact O-CB 3.28Å; G284-F288 PolarHBondContact O-N 3.06Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.92Å; F288-L290 PolarHBondContact O-N 3.22Å; F288-E291 PolarHBondContact O-N 3.41Å; F288-E292 HydrophobicContact CE2-CG 4.25Å; F288-E292 HydrophobicContact CZ-CG 4.2Å; F288-E292 WeakPolarHBondContact O-CB 3.47Å; F288-E292 PolarHBondContact O-N 2.89Å; F288-F491 HydrophobicContact CE2-CZ 4.4Å; F288-M538 HydrophobicContact CD2-CE 3.33Å; F288-M538 HydrophobicContact CD2-SD 4.2Å; F288-M538 HydrophobicContact CE2-CE 3.53Å; F288-M538 HydrophobicContact CE2-SD 3.94Å; F288-M538 HydrophobicContact CG-CE 4.24Å; F288-S541 VanDerWaalsContact N-CB 3.35Å
289	S	89.2	Confident	81.8	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.007	14%	0.143	C	C	.	.	I	π-helix	trans	-66.5	-26.7	179.1	75.3	0	0	0	0	113.2	G285 L286 L287 G293 A294	G285-S289 PolarHBondContact O-N 2.88Å; L286-S289 PolarHBondContact O-N 2.78Å; L286-S289 PolarHBondContact O-OG 2.16Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.5Å; S289-G293 WeakPolarHBondContact O-CA 3.42Å; S289-G293 PolarHBondContact O-N 2.8Å; S289-A294 PolarHBondContact O-N 3.34Å
290	L	86	Confident	81.1	Confident	30 Å²	30	35.5 Å²	35.5	16%	0.157	17%	0.17	C	C	.	.	I	π-helix	trans	-80.6	-44.7	175.6	-57.3	-174.7	0	0	0	112.1	L286 L287 F288 A294 V297 W592	L286-L290 HydrophobicContact CD1-CD1 4.12Å; L286-L290 HydrophobicContact CD1-CD2 4.48Å; L286-L290 HydrophobicContact CD1-CG 4.21Å; L286-L290 HydrophobicContact CG-CD1 4.37Å; L286-L290 WeakPolarHBondContact O-CG 3.38Å; L286-L290 PolarHBondContact O-N 2.88Å; L287-L290 PolarHBondContact O-N 3.37Å; L287-L290 VanDerWaalsContact O-N 3.09Å; F288-L290 PolarHBondContact O-N 3.22Å; L290-A294 HydrophobicContact CD2-CB 3.92Å; L290-V297 HydrophobicContact CD1-CG1 4.29Å; L290-V297 HydrophobicContact CD2-CG1 3.84Å; L290-V297 HydrophobicContact CD2-CG2 3.93Å; L290-W592 WeakPolarHBondContact O-CZ2 3.18Å
291	E	84.9	Confident	80.5	Confident	40 Å²	40	35.4 Å²	35.4	19%	0.187	17%	0.169	C	C	.	.	I	π-helix	trans	-69.5	-40.9	-177	-169.5	172.9	168.3	0	0	112.4	L287 F288 M538 T539 S541 W592	L287-E291 WeakPolarHBondContact O-CB 3.49Å; L287-E291 PolarHBondContact O-N 3.44Å; F288-E291 PolarHBondContact O-N 3.41Å; E291-M538 WeakPolarHBondContact OE1-CA 3.46Å; E291-T539 PolarHBondContact OE1-N 3.11Å; E291-S541 WeakPolarHBondContact OE2-CB 3.19Å; E291-S541 PolarHBondContact OE2-N 3.38Å; E291-S541 PolarHBondContact OE2-OG 3.09Å; E291-W592 WeakPolarHBondContact O-CZ2 3.34Å; E291-W592 PolarHBondContact O-NE1 2.97Å
292	E	74.2	Confident	80.3	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.103	18%	0.177	C	C	.	.	I	π-helix	trans	-94	-33.4	-179	-68.2	-70.2	114.2	0	0	113.7	K188 F288 M538	K188-E292 WeakPolarHBondContact CD-OE2 3.48Å; K188-E292 WeakPolarHBondContact CE-OE2 3.47Å; K188-E292 VanDerWaalsContact NZ-CD 3.3Å; K188-E292 IonicContact NZ-OE1 2.71Å; K188-E292 PolarHBondContact NZ-OE1 3.3Å; K188-E292 VanDerWaalsContact NZ-OE1 3.11Å; K188-E292 IonicContact NZ-OE2 3.48Å; K188-E292 PolarHBondContact NZ-OE2 2.85Å; F288-E292 HydrophobicContact CE2-CG 4.25Å; F288-E292 HydrophobicContact CZ-CG 4.2Å; F288-E292 WeakPolarHBondContact O-CB 3.47Å; F288-E292 PolarHBondContact O-N 2.89Å; E292-M538 HydrophobicContact CG-CE 3.45Å; E292-M538 VanDerWaalsContact CG-CE 3.45Å; E292-M538 HydrophobicContact CG-SD 4.42Å
293	G	63.8	Low	80	Confident	3 Å²	3	44.1 Å²	44.1	3%	0.031	20%	0.203	C	C	.	.	I	π-helix	trans	-111.2	-46.4	-163.5	0	0	0	0	0	116.2	S289 S295	S289-G293 WeakPolarHBondContact O-CA 3.42Å; S289-G293 PolarHBondContact O-N 2.8Å; G293-S295 PolarHBondContact O-N 3.23Å
294	A	61.6	Low	79.7	Confident	4 Å²	4	41.8 Å²	41.8	3%	0.033	19%	0.189	C	C	.	.			trans	-83	86.6	-165	0	0	0	0	0	112.9	S289 L290 F296 V297 W592	S289-A294 PolarHBondContact O-N 3.34Å; L290-A294 HydrophobicContact CD2-CB 3.92Å; A294-F296 PolarHBondContact O-N 3.36Å; A294-V297 HydrophobicContact CB-CG2 3.92Å; A294-W592 WeakPolarHBondContact O-CH2 3.43Å
295	S	60.6	Low	79.7	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	19%	0.189	C	C	.	.	S	Bend	trans	-52.4	-19.7	171.2	-59.5	0	0	0	0	114.1	G293 R739	G293-S295 PolarHBondContact O-N 3.23Å; S295-R739 WeakPolarHBondContact CB-O 3.4Å; S295-R739 PolarHBondContact OG-NH1 2.9Å
296	F	65	Low	79.8	Confident	19 Å²	19	43.1 Å²	43.1	8%	0.083	20%	0.196	C	C	.	.	S	Bend	trans	-148.9	141.8	170	44.7	-86	0	0	0	110	R264 A294 Y298 L740	R264-F296 VanDerWaalsContact NH2-CE2 3.27Å; A294-F296 PolarHBondContact O-N 3.36Å; F296-Y298 HydrophobicContact CD2-CD2 4.47Å; F296-Y298 HydrophobicContact CD2-CE1 4.37Å; F296-Y298 AromaticContact CD2-CE2 3.65Å; F296-Y298 HydrophobicContact CD2-CE2 3.65Å; F296-Y298 AromaticContact CD2-CZ 3.58Å; F296-Y298 WeakPolarHBondContact CD2-OH 3.4Å; F296-Y298 AromaticContact CE2-CE2 3.72Å; F296-Y298 HydrophobicContact CE2-CE2 3.72Å; F296-Y298 AromaticContact CE2-CZ 3.79Å; F296-Y298 WeakPolarHBondContact CE2-OH 3.27Å; F296-L740 WeakPolarHBondContact CB-O 3.29Å; F296-L740 WeakPolarHBondContact CD1-O 3.43Å; F296-L740 VanDerWaalsContact CG-O 3.29Å; F296-L740 WeakPolarHBondContact CG-O 3.33Å
297	V	59.6	Low	79.8	Confident	74 Å²	74	46.3 Å²	46.3	45%	0.448	21%	0.21	S	C	.	.			trans	-118.4	120	-174.7	-173.1	0	0	0	0	110.3	L290 A294	L290-V297 HydrophobicContact CD1-CG1 4.29Å; L290-V297 HydrophobicContact CD2-CG1 3.84Å; L290-V297 HydrophobicContact CD2-CG2 3.93Å; A294-V297 HydrophobicContact CB-CG2 3.92Å
298	Y	71	Confident	80	Confident	111 Å²	111	43.9 Å²	43.9	44%	0.435	20%	0.197	S	C	.	.			trans	-100.1	136	170.9	-55.9	-58.6	0	0	0	110.3	F296 R300 L301 T302	F296-Y298 HydrophobicContact CD2-CD2 4.47Å; F296-Y298 HydrophobicContact CD2-CE1 4.37Å; F296-Y298 AromaticContact CD2-CE2 3.65Å; F296-Y298 HydrophobicContact CD2-CE2 3.65Å; F296-Y298 AromaticContact CD2-CZ 3.58Å; F296-Y298 WeakPolarHBondContact CD2-OH 3.4Å; F296-Y298 AromaticContact CE2-CE2 3.72Å; F296-Y298 HydrophobicContact CE2-CE2 3.72Å; F296-Y298 AromaticContact CE2-CZ 3.79Å; F296-Y298 WeakPolarHBondContact CE2-OH 3.27Å; Y298-R300 PolarHBondContact O-N 3.19Å; Y298-R300 VanDerWaalsContact O-N 3.08Å; Y298-L301 WeakPolarHBondContact O-CA 3.3Å; Y298-L301 WeakPolarHBondContact O-CB 3.26Å; Y298-L301 PolarHBondContact O-N 3.33Å; Y298-T302 PolarHBondContact O-N 3.24Å; Y298-T302 PolarHBondContact O-OG1 2.92Å
299	Q	73.5	Confident	80.2	Confident	135 Å²	135	43.6 Å²	43.6	63%	0.631	20%	0.195	S	C	*	.	H	α-helix	trans	-55.9	-32	-179.5	-173.8	65.7	-12.8	0	0	113.5	T302 W303	Q299-T302 WeakPolarHBondContact O-CB 3.06Å; Q299-W303 VanDerWaalsContact O-CD1 3.28Å
300	R	75.9	Confident	80.5	Confident	157 Å²	157	48.2 Å²	48.2	59%	0.592	22%	0.218	S	C	*	.	H	α-helix	trans	-65.2	-36.7	173.5	-174.4	179.7	-178.5	-170.9	1.1	112.7	Y298 T304	Y298-R300 PolarHBondContact O-N 3.19Å; Y298-R300 VanDerWaalsContact O-N 3.08Å; R300-T304 PolarHBondContact O-N 3.1Å; R300-T304 PolarHBondContact O-OG1 3.44Å
301	L	80.3	Confident	81	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-43.4	-179.8	-178.9	58.5	0	0	0	110.5	D265 Y298 W303 T304 I305	D265-L301 HydrophobicContact CB-CD1 3.81Å; Y298-L301 WeakPolarHBondContact O-CA 3.3Å; Y298-L301 WeakPolarHBondContact O-CB 3.26Å; Y298-L301 PolarHBondContact O-N 3.33Å; L301-W303 PolarHBondContact O-N 3.22Å; L301-T304 WeakPolarHBondContact CA-OG1 3.01Å; L301-T304 PolarHBondContact O-N 2.97Å; L301-T304 PolarHBondContact O-OG1 2.9Å; L301-I305 HydrophobicContact CD1-CD1 3.87Å; L301-I305 HydrophobicContact CD1-CG1 3.89Å; L301-I305 HydrophobicContact CD2-CD1 4.23Å; L301-I305 HydrophobicContact CG-CD1 3.67Å; L301-I305 HydrophobicContact CG-CG1 4.12Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 2.94Å
302	T	88.1	Confident	81.5	Confident	26 Å²	26	45.6 Å²	45.6	16%	0.16	21%	0.206	C	C	.	.	H	α-helix	trans	-47.6	-53.4	176.9	-45.9	0	0	0	0	112.5	L286 Y298 Q299 I305 L306	L286-T302 HydrophobicContact CD1-CG2 4.01Å; L286-T302 HydrophobicContact CD2-CG2 3.81Å; L286-T302 HydrophobicContact CG-CG2 4.48Å; Y298-T302 PolarHBondContact O-N 3.24Å; Y298-T302 PolarHBondContact O-OG1 2.92Å; Q299-T302 WeakPolarHBondContact O-CB 3.06Å; T302-I305 PolarHBondContact O-N 3.37Å; T302-L306 PolarHBondContact O-N 2.8Å
303	W	88.6	Confident	82.4	Confident	169 Å²	169	46.8 Å²	46.8	64%	0.64	21%	0.212	S	C	*	.	H	α-helix	trans	-63.8	-41.1	178.1	-70.5	109.4	0	0	0	113	Q299 L301 I305 L306 F307	Q299-W303 VanDerWaalsContact O-CD1 3.28Å; L301-W303 PolarHBondContact O-N 3.22Å; W303-I305 PolarHBondContact O-N 3.25Å; W303-L306 HydrophobicContact CE3-CD2 4.48Å; W303-L306 HydrophobicContact CZ3-CD2 4.43Å; W303-L306 PolarHBondContact O-N 3.47Å; W303-F307 WeakPolarHBondContact O-CB 3.17Å; W303-F307 PolarHBondContact O-N 2.71Å
304	T	89.6	Confident	83.7	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-34.4	178.4	50.4	0	0	0	0	113.5	L108 R300 L301 A308	L108-T304 VanDerWaalsContact CD1-CB 3.42Å; L108-T304 HydrophobicContact CD1-CG2 3.51Å; R300-T304 PolarHBondContact O-N 3.1Å; R300-T304 PolarHBondContact O-OG1 3.44Å; L301-T304 WeakPolarHBondContact CA-OG1 3.01Å; L301-T304 PolarHBondContact O-N 2.97Å; L301-T304 PolarHBondContact O-OG1 2.9Å; T304-A308 PolarHBondContact O-N 3.38Å
305	I	92.6	Very high	85.2	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-46	174.9	-69.6	178.9	0	0	0	110.5	A269 A272 L286 L301 T302 W303 F307 A308 S309	A269-I305 HydrophobicContact CB-CG1 3.97Å; A272-I305 HydrophobicContact CB-CG2 3.35Å; L286-I305 HydrophobicContact CB-CG2 4.21Å; L286-I305 HydrophobicContact CD1-CB 3.85Å; L286-I305 HydrophobicContact CD1-CG2 3.57Å; L301-I305 HydrophobicContact CD1-CD1 3.87Å; L301-I305 HydrophobicContact CD1-CG1 3.89Å; L301-I305 HydrophobicContact CD2-CD1 4.23Å; L301-I305 HydrophobicContact CG-CD1 3.67Å; L301-I305 HydrophobicContact CG-CG1 4.12Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 2.94Å; T302-I305 PolarHBondContact O-N 3.37Å; W303-I305 PolarHBondContact O-N 3.25Å; I305-F307 VanDerWaalsContact C-N 3.34Å; I305-F307 PolarHBondContact O-N 2.75Å; I305-A308 PolarHBondContact O-N 2.94Å; I305-S309 WeakPolarHBondContact O-CB 3.17Å; I305-S309 PolarHBondContact O-N 3.28Å; I305-S309 PolarHBondContact O-OG 2.93Å
306	L	94	Very high	86.6	Confident	28 Å²	28	52.1 Å²	52.1	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-42.6	178.9	-172.4	62.4	0	0	0	111.7	V283 L286 T302 W303 S309 M310	V283-L306 HydrophobicContact CG2-CD1 4.04Å; L286-L306 HydrophobicContact CD2-CB 4.38Å; L286-L306 HydrophobicContact CD2-CD1 4.38Å; T302-L306 PolarHBondContact O-N 2.8Å; W303-L306 HydrophobicContact CE3-CD2 4.48Å; W303-L306 HydrophobicContact CZ3-CD2 4.43Å; W303-L306 PolarHBondContact O-N 3.47Å; L306-S309 WeakPolarHBondContact O-CB 3.19Å; L306-S309 PolarHBondContact O-N 3.2Å; L306-M310 HydrophobicContact CD1-CE 4.07Å; L306-M310 HydrophobicContact CD2-CE 4.19Å; L306-M310 HydrophobicContact CG-CE 4Å; L306-M310 HydrophobicContact CG-SD 4.25Å; L306-M310 WeakPolarHBondContact O-CG 3.31Å; L306-M310 PolarHBondContact O-N 2.86Å
307	F	95.1	Very high	87.6	Confident	80 Å²	80	52 Å²	52	35%	0.351	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-49.3	175.4	175.9	-107.5	0	0	0	112.4	L108 F109 W303 I305 S309 M310 V311	L108-F307 HydrophobicContact CB-CD1 4.03Å; L108-F307 HydrophobicContact CB-CE1 4.31Å; F109-F307 HydrophobicContact CB-CE1 3.98Å; F109-F307 HydrophobicContact CB-CZ 4.2Å; F109-F307 HydrophobicContact CD2-CZ 4.26Å; W303-F307 WeakPolarHBondContact O-CB 3.17Å; W303-F307 PolarHBondContact O-N 2.71Å; I305-F307 VanDerWaalsContact C-N 3.34Å; I305-F307 PolarHBondContact O-N 2.75Å; F307-S309 VanDerWaalsContact C-N 3.28Å; F307-S309 PolarHBondContact O-N 3.43Å; F307-M310 PolarHBondContact O-N 3.28Å; F307-V311 HydrophobicContact CD2-CG2 4.32Å; F307-V311 HydrophobicContact CE1-CG2 4.38Å; F307-V311 HydrophobicContact CE2-CG2 3.98Å; F307-V311 HydrophobicContact CZ-CG2 4.01Å; F307-V311 VanDerWaalsContact O-CG2 3.32Å; F307-V311 WeakPolarHBondContact O-CG2 3.48Å; F307-V311 PolarHBondContact O-N 3.05Å
308	A	95.8	Very high	89	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-37.1	176.9	0	0	0	0	0	112.3	L108 G112 A269 T304 I305 S312	L108-A308 HydrophobicContact CB-CB 4.42Å; L108-A308 HydrophobicContact CD2-CB 4.21Å; G112-A308 WeakPolarHBondContact CA-O 3.24Å; A269-A308 HydrophobicContact CB-CB 4.07Å; T304-A308 PolarHBondContact O-N 3.38Å; I305-A308 PolarHBondContact O-N 2.94Å; A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.11Å
309	S	95.8	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-47.5	177.3	-58.1	0	0	0	0	112.3	A272 A276 I305 L306 F307 S312 M313	A272-S309 WeakPolarHBondContact CB-OG 3.43Å; A276-S309 WeakPolarHBondContact CB-O 3.32Å; I305-S309 WeakPolarHBondContact O-CB 3.17Å; I305-S309 PolarHBondContact O-N 3.28Å; I305-S309 PolarHBondContact O-OG 2.93Å; L306-S309 WeakPolarHBondContact O-CB 3.19Å; L306-S309 PolarHBondContact O-N 3.2Å; F307-S309 VanDerWaalsContact C-N 3.28Å; F307-S309 PolarHBondContact O-N 3.43Å; S309-S312 WeakPolarHBondContact O-CB 3.36Å; S309-S312 PolarHBondContact O-N 3.49Å; S309-M313 PolarHBondContact O-N 3.43Å
310	M	95	Very high	90	Very high	98 Å²	98	44.5 Å²	44.5	48%	0.483	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-42.7	176.1	-72.7	177.3	167.5	0	0	112.2	P282 L306 F307 S312 M313 F314	P282-M310 HydrophobicContact CB-CG 4.03Å; L306-M310 HydrophobicContact CD1-CE 4.07Å; L306-M310 HydrophobicContact CD2-CE 4.19Å; L306-M310 HydrophobicContact CG-CE 4Å; L306-M310 HydrophobicContact CG-SD 4.25Å; L306-M310 WeakPolarHBondContact O-CG 3.31Å; L306-M310 PolarHBondContact O-N 2.86Å; F307-M310 PolarHBondContact O-N 3.28Å; M310-S312 VanDerWaalsContact C-N 3.33Å; M310-S312 PolarHBondContact O-N 3.34Å; M310-M313 PolarHBondContact O-N 2.81Å; M310-F314 WeakPolarHBondContact O-CB 3.46Å; M310-F314 PolarHBondContact O-N 3.3Å
311	V	96.3	Very high	90.3	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-37.5	176.3	174.8	0	0	0	0	111.4	F109 V113 F307 T315	F109-V311 HydrophobicContact CD2-CG1 3.81Å; F109-V311 HydrophobicContact CD2-CG2 3.98Å; F109-V311 HydrophobicContact CE2-CG1 4.02Å; F109-V311 HydrophobicContact CE2-CG2 4.49Å; F109-V311 HydrophobicContact CG-CG1 4.48Å; F109-V311 WeakPolarHBondContact O-CG1 3.38Å; V113-V311 HydrophobicContact CG2-CG1 3.76Å; F307-V311 HydrophobicContact CD2-CG2 4.32Å; F307-V311 HydrophobicContact CE1-CG2 4.38Å; F307-V311 HydrophobicContact CE2-CG2 3.98Å; F307-V311 HydrophobicContact CZ-CG2 4.01Å; F307-V311 VanDerWaalsContact O-CG2 3.32Å; F307-V311 WeakPolarHBondContact O-CG2 3.48Å; F307-V311 PolarHBondContact O-N 3.05Å; V311-T315 VanDerWaalsContact O-CB 3.3Å; V311-T315 WeakPolarHBondContact O-CB 3.25Å; V311-T315 PolarHBondContact O-N 3.34Å; V311-T315 PolarHBondContact O-OG1 2.87Å
312	S	95.9	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-50.5	175.2	-166.1	0	0	0	0	112.2	G112 G116 A273 A308 S309 M310 T315 L316	G112-S312 WeakPolarHBondContact O-CA 3.28Å; G116-S312 PolarHBondContact N-OG 3.23Å; A273-S312 WeakPolarHBondContact O-CB 3.4Å; A273-S312 PolarHBondContact O-OG 3.21Å; A308-S312 WeakPolarHBondContact O-CB 3.43Å; A308-S312 PolarHBondContact O-N 3.11Å; S309-S312 WeakPolarHBondContact O-CB 3.36Å; S309-S312 PolarHBondContact O-N 3.49Å; M310-S312 VanDerWaalsContact C-N 3.33Å; M310-S312 PolarHBondContact O-N 3.34Å; S312-T315 PolarHBondContact O-N 2.86Å; S312-L316 PolarHBondContact O-N 2.81Å
313	M	92.1	Very high	89.9	Confident	46 Å²	46	44 Å²	44	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-47.5	177.2	-176.2	-168.7	-177.9	0	0	111.9	G280 P282 S309 M310 T315 L316 A317	G280-M313 WeakPolarHBondContact O-CE 3.19Å; P282-M313 HydrophobicContact CG-SD 4Å; S309-M313 PolarHBondContact O-N 3.43Å; M310-M313 PolarHBondContact O-N 2.81Å; M313-T315 VanDerWaalsContact C-N 3.35Å; M313-T315 PolarHBondContact O-N 3.41Å; M313-L316 PolarHBondContact O-N 3.18Å; M313-A317 WeakPolarHBondContact O-CB 3.26Å; M313-A317 PolarHBondContact O-N 3.31Å
314	F	91.8	Very high	89	Confident	116 Å²	116	42.4 Å²	42.4	51%	0.509	21%	0.206	S	C	.	.	H	α-helix	trans	-61.7	-41.8	178	177.2	-100.8	0	0	0	112	M310 A317 L318 F330	M310-F314 WeakPolarHBondContact O-CB 3.46Å; M310-F314 PolarHBondContact O-N 3.3Å; F314-A317 PolarHBondContact O-N 3.3Å; F314-L318 WeakPolarHBondContact O-CB 3.46Å; F314-L318 PolarHBondContact O-N 3.35Å; F314-F330 HydrophobicContact CE2-CD1 4.46Å; F314-F330 AromaticContact CE2-CE1 3.8Å; F314-F330 HydrophobicContact CE2-CE1 3.8Å; F314-F330 HydrophobicContact CE2-CZ 4.04Å; F314-F330 HydrophobicContact CZ-CE1 4.27Å; F314-F330 HydrophobicContact CZ-CZ 4.35Å
315	T	93.2	Very high	87.7	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-45.2	177.6	-57.9	0	0	0	0	111.1	V113 V311 S312 M313 L318 F319	V113-T315 HydrophobicContact CG1-CG2 4.29Å; V311-T315 VanDerWaalsContact O-CB 3.3Å; V311-T315 WeakPolarHBondContact O-CB 3.25Å; V311-T315 PolarHBondContact O-N 3.34Å; V311-T315 PolarHBondContact O-OG1 2.87Å; S312-T315 PolarHBondContact O-N 2.86Å; M313-T315 VanDerWaalsContact C-N 3.35Å; M313-T315 PolarHBondContact O-N 3.41Å; T315-L318 PolarHBondContact O-N 3.44Å; T315-F319 HydrophobicContact CG2-CD2 3.78Å; T315-F319 HydrophobicContact CG2-CE2 3.82Å; T315-F319 WeakPolarHBondContact O-CD2 3.49Å; T315-F319 PolarHBondContact O-N 2.96Å
316	L	89.3	Confident	86.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-46.4	175.7	179.6	60.1	0	0	0	111.5	A119 C120 A277 S312 M313 L318 F319 K320 L335	A119-L316 HydrophobicContact CB-CD1 4.29Å; A119-L316 HydrophobicContact CB-CD2 4.43Å; C120-L316 HydrophobicContact CB-CD1 3.72Å; A277-L316 HydrophobicContact CB-CD2 4.26Å; A277-L316 WeakPolarHBondContact O-CD2 3.39Å; S312-L316 PolarHBondContact O-N 2.81Å; M313-L316 PolarHBondContact O-N 3.18Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 2.92Å; L316-F319 PolarHBondContact O-N 3.01Å; L316-K320 WeakPolarHBondContact O-CB 3.28Å; L316-K320 PolarHBondContact O-N 2.84Å; L316-L335 HydrophobicContact CD1-CD2 4.34Å; L316-L335 HydrophobicContact CD2-CD2 4.21Å; L316-L335 HydrophobicContact CD2-CG 4.26Å
317	A	86.7	Confident	85.5	Confident	18 Å²	18	57.2 Å²	57.2	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-39.4	178.1	0	0	0	0	0	112.7	M313 F314 S321 F330	M313-A317 WeakPolarHBondContact O-CB 3.26Å; M313-A317 PolarHBondContact O-N 3.31Å; F314-A317 PolarHBondContact O-N 3.3Å; A317-S321 VanDerWaalsContact O-CB 3.31Å; A317-S321 WeakPolarHBondContact O-CB 3.37Å; A317-S321 PolarHBondContact O-N 3.05Å; A317-F330 HydrophobicContact CB-CD1 4.29Å
318	L	88.2	Confident	84.5	Confident	49 Å²	49	60.3 Å²	60.3	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-54.7	175.6	-175	75.2	0	0	0	111.4	F314 T315 L316 K320 S321 L322 F330	F314-L318 WeakPolarHBondContact O-CB 3.46Å; F314-L318 PolarHBondContact O-N 3.35Å; T315-L318 PolarHBondContact O-N 3.44Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 2.92Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.85Å; L318-S321 PolarHBondContact O-N 3.15Å; L318-L322 HydrophobicContact CG-CD1 4.33Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.92Å; L318-F330 HydrophobicContact CB-CE1 4.33Å; L318-F330 HydrophobicContact CD1-CE1 3.87Å; L318-F330 HydrophobicContact CD1-CZ 4.05Å
319	F	86	Confident	83.2	Confident	72 Å²	72	67.4 Å²	67.4	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-34.3	-179.7	-79.4	-77.9	0	0	0	112.7	L117 C120 T315 L316 S321 L322 T323	L117-F319 HydrophobicContact CD1-CD1 4.47Å; L117-F319 HydrophobicContact CD1-CD2 4.19Å; L117-F319 HydrophobicContact CD1-CE1 4.21Å; L117-F319 HydrophobicContact CD1-CE2 3.93Å; L117-F319 HydrophobicContact CD1-CG 4.47Å; L117-F319 HydrophobicContact CD1-CZ 3.94Å; C120-F319 HydrophobicContact CB-CB 4.22Å; C120-F319 VanDerWaalsContact SG-CB 3.58Å; T315-F319 HydrophobicContact CG2-CD2 3.78Å; T315-F319 HydrophobicContact CG2-CE2 3.82Å; T315-F319 WeakPolarHBondContact O-CD2 3.49Å; T315-F319 PolarHBondContact O-N 2.96Å; L316-F319 PolarHBondContact O-N 3.01Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-L322 HydrophobicContact CD1-CD1 4.27Å; F319-L322 PolarHBondContact O-N 3.45Å; F319-T323 WeakPolarHBondContact O-CB 3.49Å; F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.48Å
320	K	80	Confident	82	Confident	40 Å²	40	71.9 Å²	71.9	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-28.5	175.3	-160.7	157.3	-179.3	163.3	0	112.3	D123 L316 L318 R324 G334 L335	D123-K320 WeakPolarHBondContact OD2-CE 3.3Å; D123-K320 IonicContact OD2-NZ 2.72Å; D123-K320 PolarHBondContact OD2-NZ 2.76Å; L316-K320 WeakPolarHBondContact O-CB 3.28Å; L316-K320 PolarHBondContact O-N 2.84Å; L318-K320 VanDerWaalsContact C-N 3.35Å; L318-K320 PolarHBondContact O-N 2.85Å; K320-R324 WeakPolarHBondContact O-CG 3.31Å; K320-G334 PolarHBondContact NZ-O 2.92Å; K320-L335 PolarHBondContact NZ-O 3.1Å
321	S	82.5	Confident	80.5	Confident	9 Å²	9	71.5 Å²	71.5	6%	0.063	36%	0.356	C	S	.	.	H	α-helix	trans	-73.9	-43.2	168	174.7	0	0	0	0	112.3	A317 L318 F319 T323 R324 H326 F328 K329	A317-S321 VanDerWaalsContact O-CB 3.31Å; A317-S321 WeakPolarHBondContact O-CB 3.37Å; A317-S321 PolarHBondContact O-N 3.05Å; L318-S321 PolarHBondContact O-N 3.15Å; F319-S321 VanDerWaalsContact C-N 3.34Å; S321-T323 VanDerWaalsContact C-N 3.26Å; S321-T323 PolarHBondContact O-N 2.99Å; S321-R324 PolarHBondContact O-N 3.48Å; S321-H326 PolarHBondContact OG-O 3.48Å; S321-F328 PolarHBondContact OG-N 3.11Å; S321-K329 PolarHBondContact OG-N 3.48Å
322	L	82.8	Confident	78.6	Confident	91 Å²	91	75.8 Å²	75.8	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-30.8	175.5	-70.8	169.2	0	0	0	113.1	L318 F319 R324 V327	L318-L322 HydrophobicContact CG-CD1 4.33Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.92Å; F319-L322 HydrophobicContact CD1-CD1 4.27Å; F319-L322 PolarHBondContact O-N 3.45Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-V327 HydrophobicContact CD2-CG1 3.92Å
323	T	75.7	Confident	77	Confident	77 Å²	77	76.5 Å²	76.5	47%	0.472	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12	179.6	-51.8	0	0	0	0	113	Y124 F319 S321	Y124-T323 HydrophobicContact CD2-CG2 3.69Å; Y124-T323 HydrophobicContact CE2-CG2 3.68Å; F319-T323 WeakPolarHBondContact O-CB 3.49Å; F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.48Å; S321-T323 VanDerWaalsContact C-N 3.26Å; S321-T323 PolarHBondContact O-N 2.99Å
324	R	70.9	Confident	75.8	Confident	135 Å²	135	74.4 Å²	74.4	51%	0.509	38%	0.382	S	S	.	.	S	Bend	trans	-110.5	158.1	177.2	-69.3	178.4	175.1	179.4	-1.4	109.4	K320 S321 L322 H326	K320-R324 WeakPolarHBondContact O-CG 3.31Å; S321-R324 PolarHBondContact O-N 3.48Å; L322-R324 VanDerWaalsContact C-N 3.33Å; R324-H326 PolarHBondContact O-N 3.33Å
325	T	62.2	Low	74.7	Confident	132 Å²	132	69.3 Å²	69.3	81%	0.81	36%	0.36	S	S	*	.	S	Bend	trans	-64.1	-13.6	-173.5	45.7	0	0	0	0	114.9
326	H	69.5	Low	73.6	Confident	128 Å²	128	69.2 Å²	69.2	59%	0.593	36%	0.359	S	S	*	.	S	Bend	trans	-101.2	80.7	177.9	-61.9	-66.3	0	0	0	111.2	S321 R324 F328 K329	S321-H326 PolarHBondContact OG-O 3.48Å; R324-H326 PolarHBondContact O-N 3.33Å; H326-F328 PolarHBondContact O-N 3.31Å; H326-K329 HydrophobicContact CB-CB 3.88Å; H326-K329 PolarHBondContact O-N 3.07Å
327	V	71.2	Confident	72.8	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.515	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	135.5	170.6	-140.3	0	0	0	0	109.9	L322 K329	L322-V327 HydrophobicContact CD2-CG1 3.92Å; V327-K329 PolarHBondContact O-N 2.5Å; V327-K329 VanDerWaalsContact O-N 3.09Å
328	F	72.8	Confident	72.1	Confident	146 Å²	146	70.9 Å²	70.9	64%	0.64	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	2.3	-178.7	-51.7	-73.8	0	0	0	117.2	S321 H326 F330	S321-F328 PolarHBondContact OG-N 3.11Å; H326-F328 PolarHBondContact O-N 3.31Å; F328-F330 VanDerWaalsContact C-N 3.33Å; F328-F330 WeakPolarHBondContact O-CD2 3.36Å; F328-F330 PolarHBondContact O-N 2.71Å
329	K	69.8	Low	71.3	Confident	148 Å²	148	69.2 Å²	69.2	64%	0.643	36%	0.363	S	S	*	.			trans	-82.6	80	168.5	-165.7	173.7	-176.8	176.7	0	110.7	S321 H326 V327 T331	S321-K329 PolarHBondContact OG-N 3.48Å; H326-K329 HydrophobicContact CB-CB 3.88Å; H326-K329 PolarHBondContact O-N 3.07Å; V327-K329 PolarHBondContact O-N 2.5Å; V327-K329 VanDerWaalsContact O-N 3.09Å; K329-T331 PolarHBondContact O-N 2.84Å; K329-T331 VanDerWaalsContact O-N 3.08Å; K329-T331 PolarHBondContact O-OG1 3.04Å
330	F	69.6	Low	70.6	Confident	95 Å²	95	70.7 Å²	70.7	42%	0.417	38%	0.379	S	S	.	.			trans	-57.2	111.8	174.4	-58.9	-79	0	0	0	110.5	F314 A317 L318 F328	F314-F330 HydrophobicContact CE2-CD1 4.46Å; F314-F330 AromaticContact CE2-CE1 3.8Å; F314-F330 HydrophobicContact CE2-CE1 3.8Å; F314-F330 HydrophobicContact CE2-CZ 4.04Å; F314-F330 HydrophobicContact CZ-CE1 4.27Å; F314-F330 HydrophobicContact CZ-CZ 4.35Å; A317-F330 HydrophobicContact CB-CD1 4.29Å; L318-F330 HydrophobicContact CB-CE1 4.33Å; L318-F330 HydrophobicContact CD1-CE1 3.87Å; L318-F330 HydrophobicContact CD1-CZ 4.05Å; F328-F330 VanDerWaalsContact C-N 3.33Å; F328-F330 WeakPolarHBondContact O-CD2 3.36Å; F328-F330 PolarHBondContact O-N 2.71Å
331	T	64.8	Low	70.2	Confident	90 Å²	90	69.2 Å²	69.2	55%	0.552	37%	0.372	S	S	*	.			trans	-98	122.5	172.8	-51.6	0	0	0	0	107.7	K329	K329-T331 PolarHBondContact O-N 2.84Å; K329-T331 VanDerWaalsContact O-N 3.08Å; K329-T331 PolarHBondContact O-OG1 3.04Å
332	P	56.6	Low	69.3	Low	105 Å²	105	74.8 Å²	74.8	68%	0.682	40%	0.401	S	S	*	.			trans	-66.5	145.9	179.6	27	-33.7	0	0	0	111.8
333	G	61.2	Low	68.4	Low	16 Å²	16	72.6 Å²	72.6	17%	0.165	39%	0.394	C	S	.	.			trans	130.3	161	-176.1	0	0	0	0	0	112.5
334	G	66.6	Low	68	Low	2 Å²	2	69.3 Å²	69.3	2%	0.021	37%	0.373	C	S	.	.			trans	-95.8	-140.5	-179.3	0	0	0	0	0	113.4	A277 K320 V336	A277-G334 CarbonylContact O-C 3.52Å; A277-G334 VanDerWaalsContact O-CA 3.25Å; A277-G334 WeakPolarHBondContact O-CA 3.47Å; K320-G334 PolarHBondContact NZ-O 2.92Å; G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 CarbonylContact C-O 3.54Å; G334-V336 WeakPolarHBondContact CA-O 3.22Å; G334-V336 PolarHBondContact N-O 2.64Å
335	L	70	Confident	67.8	Low	9 Å²	9	67 Å²	67	5%	0.047	37%	0.371	C	S	.	.	S	Bend	trans	-58	-48.9	159.2	-67.2	-177.2	0	0	0	109.5	A119 D123 K224 E225 M228 A277 A278 L316 K320	A119-L335 HydrophobicContact CB-CD1 4.18Å; A119-L335 HydrophobicContact CB-CD2 4.08Å; A119-L335 HydrophobicContact CB-CG 4.28Å; D123-L335 HydrophobicContact CB-CD2 3.54Å; K224-L335 HydrophobicContact CD-CD1 4.38Å; K224-L335 HydrophobicContact CG-CD1 4.2Å; E225-L335 WeakPolarHBondContact OE2-CB 3.07Å; E225-L335 WeakPolarHBondContact OE2-CD1 3.11Å; M228-L335 HydrophobicContact CG-CD1 4.29Å; A277-L335 PolarHBondContact O-N 2.89Å; A278-L335 WeakPolarHBondContact O-CB 3.36Å; A278-L335 PolarHBondContact O-N 3.34Å; L316-L335 HydrophobicContact CD1-CD2 4.34Å; L316-L335 HydrophobicContact CD2-CD2 4.21Å; L316-L335 HydrophobicContact CD2-CG 4.26Å; K320-L335 PolarHBondContact NZ-O 3.1Å
336	V	69.3	Low	68.4	Low	5 Å²	5	66.7 Å²	66.7	3%	0.03	36%	0.364	C	S	.	.			trans	-89.2	135.4	168.8	-169.3	0	0	0	0	109.2	E225 A278 G334 F338 E448 I492	E225-V336 VanDerWaalsContact CD-CG2 3.46Å; E225-V336 HydrophobicContact CG-CG2 3.77Å; A278-V336 PolarHBondContact O-N 3.04Å; G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 CarbonylContact C-O 3.54Å; G334-V336 WeakPolarHBondContact CA-O 3.22Å; G334-V336 PolarHBondContact N-O 2.64Å; V336-F338 HydrophobicContact CG1-CD1 3.86Å; V336-F338 HydrophobicContact CG1-CE1 3.49Å; V336-F338 VanDerWaalsContact CG1-CE1 3.49Å; V336-F338 HydrophobicContact CG1-CZ 4.12Å; V336-E448 HydrophobicContact CG2-CG 4.5Å; V336-I492 HydrophobicContact CG1-CD1 4.03Å; V336-I492 HydrophobicContact CG2-CD1 3.61Å; V336-I492 HydrophobicContact CG2-CG1 4.26Å
337	S	72.3	Confident	69	Low	50 Å²	50	63.5 Å²	63.5	35%	0.35	35%	0.348	S	S	.	.			trans	-137.6	115.7	168.3	175.1	0	0	0	0	106.1
338	F	72.8	Confident	69.7	Low	5 Å²	5	62.8 Å²	62.8	2%	0.022	34%	0.341	C	S	.	.			trans	-70.5	-38.2	-176	-63.5	-45.6	0	0	0	111	V336 F341 L451 L455 H456 L495 L546 A549 T550	V336-F338 HydrophobicContact CG1-CD1 3.86Å; V336-F338 HydrophobicContact CG1-CE1 3.49Å; V336-F338 VanDerWaalsContact CG1-CE1 3.49Å; V336-F338 HydrophobicContact CG1-CZ 4.12Å; F338-F341 HydrophobicContact CB-CE2 3.78Å; F338-F341 HydrophobicContact CB-CZ 4.13Å; F338-L451 HydrophobicContact CD1-CD2 4.36Å; F338-L451 HydrophobicContact CE1-CD2 3.79Å; F338-L455 HydrophobicContact CB-CD1 4.27Å; F338-L455 HydrophobicContact CD1-CD1 3.96Å; F338-L455 HydrophobicContact CG-CD1 4.34Å; F338-H456 PolarHBondContact O-CD2 3.5Å; F338-H456 VanDerWaalsContact O-CD2 3.22Å; F338-L495 HydrophobicContact CE1-CD1 4.31Å; F338-L495 HydrophobicContact CZ-CD1 4.06Å; F338-L546 HydrophobicContact CE2-CD2 3.77Å; F338-L546 HydrophobicContact CZ-CD2 4.05Å; F338-A549 HydrophobicContact CD2-CB 3.49Å; F338-A549 VanDerWaalsContact CD2-CB 3.49Å; F338-A549 HydrophobicContact CE2-CB 3.49Å; F338-A549 VanDerWaalsContact CE2-CB 3.49Å; F338-T550 HydrophobicContact CD2-CG2 4.31Å
339	G	70.8	Confident	70.3	Confident	13 Å²	13	59.9 Å²	59.9	13%	0.134	34%	0.344	C	S	.	.			trans	124.9	176.2	-178.8	0	0	0	0	0	111.2	F341	G339-F341 WeakPolarHBondContact O-CD2 3.47Å
340	T	70.6	Confident	71	Confident	104 Å²	104	57 Å²	57	64%	0.638	33%	0.33	S	S	*	.			trans	-85	127.5	170.4	47.4	0	0	0	0	109.4	H456	T340-H456 PolarHBondContact O-NE2 3.34Å
341	F	72	Confident	72	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.039	31%	0.31	C	S	.	.			trans	-106.7	78.9	-179.4	-69.1	-95.8	0	0	0	110.7	F338 G339 S343 L344 L455 H456 T550	F338-F341 HydrophobicContact CB-CE2 3.78Å; F338-F341 HydrophobicContact CB-CZ 4.13Å; G339-F341 WeakPolarHBondContact O-CD2 3.47Å; F341-S343 PolarHBondContact O-N 3.13Å; F341-S343 VanDerWaalsContact O-N 3.14Å; F341-L344 HydrophobicContact CB-CB 3.86Å; F341-L344 HydrophobicContact CB-CD1 3.45Å; F341-L344 VanDerWaalsContact CB-CD1 3.45Å; F341-L344 HydrophobicContact CB-CG 3.73Å; F341-L344 HydrophobicContact CD1-CD1 3.59Å; F341-L344 HydrophobicContact CD1-CG 4.21Å; F341-L344 HydrophobicContact CD2-CD1 4.25Å; F341-L344 HydrophobicContact CE1-CD1 4.35Å; F341-L344 HydrophobicContact CG-CD1 3.52Å; F341-L344 HydrophobicContact CG-CG 4.24Å; F341-L344 PolarHBondContact O-N 3.32Å; F341-L455 HydrophobicContact CE1-CB 4.08Å; F341-L455 HydrophobicContact CE1-CD2 4.23Å; F341-L455 HydrophobicContact CZ-CB 4.04Å; F341-L455 HydrophobicContact CZ-CD1 4.25Å; F341-L455 HydrophobicContact CZ-CD2 4.14Å; F341-L455 HydrophobicContact CZ-CG 4.37Å; F341-H456 WeakPolarHBondContact CA-NE2 3.09Å; F341-H456 AromaticContact CD1-NE2 3.13Å; F341-H456 WeakPolarHBondContact CD1-NE2 3.29Å; F341-H456 AromaticContact CD2-NE2 3.29Å; F341-H456 VanDerWaalsContact CD2-NE2 3.29Å; F341-H456 WeakPolarHBondContact CD2-NE2 3.31Å; F341-H456 AromaticContact CE1-NE2 3.46Å; F341-H456 WeakPolarHBondContact CE1-NE2 3.34Å; F341-H456 AromaticContact CE2-NE2 3.59Å; F341-H456 AromaticContact CG-NE2 3.04Å; F341-H456 WeakPolarHBondContact CG-NE2 3.44Å; F341-H456 AromaticContact CZ-NE2 3.68Å; F341-H456 PolarHBondContact N-NE2 2.98Å; F341-T550 HydrophobicContact CD2-CG2 4.06Å; F341-T550 HydrophobicContact CE2-CG2 3.76Å; F341-T550 HydrophobicContact CZ-CG2 4.47Å
342	D	64.7	Low	73.3	Confident	126 Å²	126	50.2 Å²	50.2	67%	0.674	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.3	-20.4	-176.3	-50.3	-30.9	0	0	0	112.2	N345	D342-N345 PolarHBondContact O-ND2 3.41Å; D342-N345 VanDerWaalsContact O-ND2 3.11Å
343	S	63.6	Low	75	Confident	45 Å²	45	50 Å²	50	32%	0.315	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-78.9	-18.9	174.7	58.9	0	0	0	0	115	F341 N345 D519 K522	F341-S343 PolarHBondContact O-N 3.13Å; F341-S343 VanDerWaalsContact O-N 3.14Å; S343-N345 VanDerWaalsContact C-N 3.3Å; S343-N345 PolarHBondContact O-N 3.04Å; S343-D519 VanDerWaalsContact CB-OD2 3.22Å; S343-D519 WeakPolarHBondContact CB-OD2 2.99Å; S343-D519 PolarHBondContact OG-OD2 2.77Å; S343-K522 WeakPolarHBondContact O-CE 3.32Å; S343-K522 PolarHBondContact O-NZ 2.88Å
344	L	66.7	Low	76.5	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.042	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-86.4	9.2	-172.3	-78.1	179.9	0	0	0	114.4	F341 D346 K522 L525 N552 V555	F341-L344 HydrophobicContact CB-CB 3.86Å; F341-L344 HydrophobicContact CB-CD1 3.45Å; F341-L344 VanDerWaalsContact CB-CD1 3.45Å; F341-L344 HydrophobicContact CB-CG 3.73Å; F341-L344 HydrophobicContact CD1-CD1 3.59Å; F341-L344 HydrophobicContact CD1-CG 4.21Å; F341-L344 HydrophobicContact CD2-CD1 4.25Å; F341-L344 HydrophobicContact CE1-CD1 4.35Å; F341-L344 HydrophobicContact CG-CD1 3.52Å; F341-L344 HydrophobicContact CG-CG 4.24Å; F341-L344 PolarHBondContact O-N 3.32Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-K522 HydrophobicContact CD2-CB 3.91Å; L344-K522 HydrophobicContact CD2-CD 3.81Å; L344-K522 HydrophobicContact CD2-CG 3.53Å; L344-K522 HydrophobicContact CG-CG 4.45Å; L344-L525 HydrophobicContact CD1-CD2 3.55Å; L344-N552 VanDerWaalsContact C-ND2 3.29Å; L344-N552 PolarHBondContact O-ND2 3.37Å; L344-V555 HydrophobicContact CB-CG1 4.13Å; L344-V555 HydrophobicContact CD1-CG1 3.98Å; L344-V555 HydrophobicContact CD2-CG1 3.77Å; L344-V555 HydrophobicContact CG-CG1 4.19Å
345	N	66.7	Low	77.8	Confident	87 Å²	87	52 Å²	52	47%	0.465	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66	-35.6	177.3	-66.8	-35.7	0	0	0	112.3	D342 S343 I554	D342-N345 PolarHBondContact O-ND2 3.41Å; D342-N345 VanDerWaalsContact O-ND2 3.11Å; S343-N345 VanDerWaalsContact C-N 3.3Å; S343-N345 PolarHBondContact O-N 3.04Å; N345-I554 VanDerWaalsContact O-CD1 3.29Å; N345-I554 WeakPolarHBondContact O-CD1 3.29Å
346	D	75.5	Confident	79.1	Confident	125 Å²	125	54.3 Å²	54.3	67%	0.668	30%	0.303	S	S	*	.			trans	-121.6	141.4	179	-58.1	-63.1	0	0	0	111.3	L344 K522	L344-D346 VanDerWaalsContact C-N 3.32Å; D346-K522 PolarHBondContact O-NZ 3.08Å
347	Y	82.1	Confident	80.4	Confident	61 Å²	61	58 Å²	58	24%	0.239	32%	0.322	C	S	.	.			trans	-141.9	145.2	164.3	68.1	-89	0	0	0	109	I352 F355 I554 P558	Y347-I352 HydrophobicContact CD2-CG1 4.21Å; Y347-I352 HydrophobicContact CE2-CD1 4.02Å; Y347-I352 HydrophobicContact CE2-CG1 3.98Å; Y347-F355 HydrophobicContact CD2-CE2 4.46Å; Y347-I554 HydrophobicContact CD1-CG2 3.9Å; Y347-I554 HydrophobicContact CE1-CG2 3.59Å; Y347-I554 WeakPolarHBondContact CE1-O 3.26Å; Y347-P558 HydrophobicContact CD1-CG 4.02Å; Y347-P558 HydrophobicContact CD2-CG 3.97Å; Y347-P558 HydrophobicContact CE1-CG 3.68Å; Y347-P558 HydrophobicContact CE2-CG 3.63Å; Y347-P558 HydrophobicContact CG-CG 4.16Å; Y347-P558 VanDerWaalsContact CZ-CG 3.49Å
348	N	85.4	Confident	81.6	Confident	70 Å²	70	55.7 Å²	55.7	37%	0.374	31%	0.306	S	S	.	.			trans	-93.2	155.2	-174.1	-63.7	-93.8	0	0	0	111.8	Y350 E351	N348-Y350 HydrophobicContact CB-CD1 3.68Å; N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE1 3.26Å; N348-Y350 HydrophobicContact CB-CE2 3.84Å; N348-Y350 HydrophobicContact CB-CG 4.13Å; N348-Y350 VanDerWaalsContact CG-CZ 3.47Å; N348-Y350 PolarHBondContact ND2-OH 2.96Å; N348-Y350 PolarHBondContact O-N 3.13Å; N348-Y350 VanDerWaalsContact O-N 3.14Å; N348-E351 HydrophobicContact CB-CG 4.31Å; N348-E351 WeakPolarHBondContact CB-OE1 3.5Å; N348-E351 PolarHBondContact N-OE1 2.66Å; N348-E351 PolarHBondContact ND2-OE1 2.81Å; N348-E351 WeakPolarHBondContact O-CB 3.34Å; N348-E351 PolarHBondContact O-N 3.11Å
349	A	85.6	Confident	82.7	Confident	85 Å²	85	55.5 Å²	55.5	70%	0.702	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-28	179.3	0	0	0	0	0	113.7	I352	A349-I352 WeakPolarHBondContact O-CB 3.3Å
350	Y	85.1	Confident	84	Confident	88 Å²	88	58.4 Å²	58.4	35%	0.345	32%	0.317	S	S	.	.	H	α-helix	trans	-74.1	-26.8	175.3	56.8	-103	0	0	0	113.5	N348 I352 L353 H516 F517	N348-Y350 HydrophobicContact CB-CD1 3.68Å; N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE1 3.26Å; N348-Y350 HydrophobicContact CB-CE2 3.84Å; N348-Y350 HydrophobicContact CB-CG 4.13Å; N348-Y350 VanDerWaalsContact CG-CZ 3.47Å; N348-Y350 PolarHBondContact ND2-OH 2.96Å; N348-Y350 PolarHBondContact O-N 3.13Å; N348-Y350 VanDerWaalsContact O-N 3.14Å; Y350-I352 VanDerWaalsContact C-N 3.26Å; Y350-I352 PolarHBondContact O-N 3.12Å; Y350-L353 PolarHBondContact O-N 2.94Å; Y350-H516 HydrophobicContact CE2-CB 4.32Å; Y350-H516 WeakPolarHBondContact OH-CB 3.06Å; Y350-H516 PolarHBondContact OH-CD2 2.96Å; Y350-H516 VanDerWaalsContact OH-CD2 3.29Å; Y350-F517 AromaticContact CD2-CE1 3.87Å; Y350-F517 HydrophobicContact CD2-CE1 3.87Å; Y350-F517 AromaticContact CD2-CZ 3.86Å; Y350-F517 HydrophobicContact CD2-CZ 3.86Å; Y350-F517 HydrophobicContact CE2-CD1 4.44Å; Y350-F517 AromaticContact CE2-CE1 3.62Å; Y350-F517 HydrophobicContact CE2-CE1 3.62Å; Y350-F517 AromaticContact CE2-CZ 3.79Å; Y350-F517 HydrophobicContact CE2-CZ 3.79Å
351	E	89.8	Confident	85.3	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-32.6	175	-65.3	170.2	-123.2	0	0	111	N348 L353 M354 F355 F517	N348-E351 HydrophobicContact CB-CG 4.31Å; N348-E351 WeakPolarHBondContact CB-OE1 3.5Å; N348-E351 PolarHBondContact N-OE1 2.66Å; N348-E351 PolarHBondContact ND2-OE1 2.81Å; N348-E351 WeakPolarHBondContact O-CB 3.34Å; N348-E351 PolarHBondContact O-N 3.11Å; E351-L353 VanDerWaalsContact C-N 3.25Å; E351-L353 PolarHBondContact O-N 3.42Å; E351-M354 WeakPolarHBondContact O-CA 3.48Å; E351-M354 WeakPolarHBondContact O-CB 3.4Å; E351-M354 PolarHBondContact O-N 3.2Å; E351-F355 HydrophobicContact CB-CD2 4.44Å; E351-F355 HydrophobicContact CB-CE1 4.14Å; E351-F355 HydrophobicContact CB-CE2 3.75Å; E351-F355 HydrophobicContact CB-CZ 3.58Å; E351-F355 HydrophobicContact CG-CZ 4.45Å; E351-F355 WeakPolarHBondContact O-CD1 3.45Å; E351-F355 WeakPolarHBondContact O-CD2 3.49Å; E351-F355 WeakPolarHBondContact O-CG 3.48Å; E351-F355 PolarHBondContact O-N 2.96Å; E351-F517 HydrophobicContact CG-CD1 4.48Å; E351-F517 HydrophobicContact CG-CE1 4.05Å
352	I	91	Very high	86.5	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.195	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-39.3	177.8	-53.3	176.4	0	0	0	111.4	Y347 A349 Y350 M354 F355 L356 M561	Y347-I352 HydrophobicContact CD2-CG1 4.21Å; Y347-I352 HydrophobicContact CE2-CD1 4.02Å; Y347-I352 HydrophobicContact CE2-CG1 3.98Å; A349-I352 WeakPolarHBondContact O-CB 3.3Å; Y350-I352 VanDerWaalsContact C-N 3.26Å; Y350-I352 PolarHBondContact O-N 3.12Å; I352-M354 VanDerWaalsContact C-N 3.33Å; I352-M354 PolarHBondContact O-N 3.09Å; I352-F355 PolarHBondContact O-N 2.91Å; I352-L356 HydrophobicContact CG2-CD1 4.25Å; I352-L356 HydrophobicContact CG2-CG 4.42Å; I352-L356 VanDerWaalsContact O-CG 3.3Å; I352-L356 WeakPolarHBondContact O-CG 3.15Å; I352-L356 PolarHBondContact O-N 2.81Å; I352-M561 HydrophobicContact CG2-SD 3.62Å
353	L	92.6	Very high	88.1	Confident	102 Å²	102	50.8 Å²	50.8	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-41	177.2	-179.4	60.4	0	0	0	111.5	Y350 E351 L356 L357	Y350-L353 PolarHBondContact O-N 2.94Å; E351-L353 VanDerWaalsContact C-N 3.25Å; E351-L353 PolarHBondContact O-N 3.42Å; L353-L356 PolarHBondContact O-N 3.07Å; L353-L357 WeakPolarHBondContact O-CG 3.17Å; L353-L357 PolarHBondContact O-N 3.44Å; L353-L357 VanDerWaalsContact O-N 3.12Å
354	M	92.7	Very high	89.7	Confident	53 Å²	53	53 Å²	53	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-42.2	174.3	-61.7	-57.9	123.5	0	0	110.9	E351 I352 L356 L357 M358 M509 F523	E351-M354 WeakPolarHBondContact O-CA 3.48Å; E351-M354 WeakPolarHBondContact O-CB 3.4Å; E351-M354 PolarHBondContact O-N 3.2Å; I352-M354 VanDerWaalsContact C-N 3.33Å; I352-M354 PolarHBondContact O-N 3.09Å; M354-L356 VanDerWaalsContact C-N 3.32Å; M354-L356 PolarHBondContact O-N 3.1Å; M354-L357 HydrophobicContact CE-CD1 4.08Å; M354-L357 PolarHBondContact O-N 2.69Å; M354-L357 HydrophobicContact SD-CD1 4.18Å; M354-M358 VanDerWaalsContact O-CG 3.22Å; M354-M358 WeakPolarHBondContact O-CG 3.3Å; M354-M358 PolarHBondContact O-N 3.49Å; M354-M509 HydrophobicContact SD-SD 4.34Å; M354-F523 HydrophobicContact CB-CE1 4.14Å
355	F	95.1	Very high	91.2	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-38.4	177.3	-55.8	-23.5	0	0	0	112.4	Y347 E351 I352 M358 G359 F523 I526 P558 T562	Y347-F355 HydrophobicContact CD2-CE2 4.46Å; E351-F355 HydrophobicContact CB-CD2 4.44Å; E351-F355 HydrophobicContact CB-CE1 4.14Å; E351-F355 HydrophobicContact CB-CE2 3.75Å; E351-F355 HydrophobicContact CB-CZ 3.58Å; E351-F355 HydrophobicContact CG-CZ 4.45Å; E351-F355 WeakPolarHBondContact O-CD1 3.45Å; E351-F355 WeakPolarHBondContact O-CD2 3.49Å; E351-F355 WeakPolarHBondContact O-CG 3.48Å; E351-F355 PolarHBondContact O-N 2.96Å; I352-F355 PolarHBondContact O-N 2.91Å; F355-M358 HydrophobicContact CD1-SD 4.48Å; F355-M358 PolarHBondContact O-N 3.43Å; F355-G359 PolarHBondContact O-N 2.83Å; F355-F523 HydrophobicContact CD1-CE1 4.44Å; F355-F523 HydrophobicContact CE1-CD1 4.18Å; F355-F523 AromaticContact CE1-CE1 3.95Å; F355-F523 HydrophobicContact CE1-CE1 3.95Å; F355-F523 HydrophobicContact CE1-CZ 4.38Å; F355-I526 HydrophobicContact CB-CG2 3.96Å; F355-I526 HydrophobicContact CD1-CB 4.16Å; F355-I526 HydrophobicContact CD1-CG1 3.82Å; F355-I526 HydrophobicContact CD1-CG2 3.78Å; F355-I526 HydrophobicContact CE1-CG1 3.88Å; F355-I526 HydrophobicContact CG-CD1 4.43Å; F355-I526 HydrophobicContact CG-CG1 4.18Å; F355-I526 HydrophobicContact CG-CG2 4.05Å; F355-I526 HydrophobicContact CZ-CG1 4.29Å; F355-P558 HydrophobicContact CD2-CB 3.77Å; F355-P558 HydrophobicContact CD2-CG 4.33Å; F355-P558 HydrophobicContact CE2-CB 4Å; F355-P558 HydrophobicContact CE2-CG 4.25Å; F355-T562 PolarHBondContact O-OG1 2.86Å
356	L	96.5	Very high	92.6	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-43.4	173	-67.7	167.5	0	0	0	112.2	I352 L353 M354 G359 L360 M561 V565	I352-L356 HydrophobicContact CG2-CD1 4.25Å; I352-L356 HydrophobicContact CG2-CG 4.42Å; I352-L356 VanDerWaalsContact O-CG 3.3Å; I352-L356 WeakPolarHBondContact O-CG 3.15Å; I352-L356 PolarHBondContact O-N 2.81Å; L353-L356 PolarHBondContact O-N 3.07Å; M354-L356 VanDerWaalsContact C-N 3.32Å; M354-L356 PolarHBondContact O-N 3.1Å; L356-G359 WeakPolarHBondContact O-CA 3.44Å; L356-G359 PolarHBondContact O-N 3.49Å; L356-G359 VanDerWaalsContact O-N 3.13Å; L356-L360 PolarHBondContact O-N 3.23Å; L356-L360 VanDerWaalsContact O-N 3.13Å; L356-M561 HydrophobicContact CD2-CB 4.07Å; L356-V565 HydrophobicContact CD2-CG2 3.63Å
357	L	96.3	Very high	93.6	Very high	82 Å²	82	43.9 Å²	43.9	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-40.1	175.3	-69.1	170.8	0	0	0	111.9	L353 M354 G359 L360 I361	L353-L357 WeakPolarHBondContact O-CG 3.17Å; L353-L357 PolarHBondContact O-N 3.44Å; L353-L357 VanDerWaalsContact O-N 3.12Å; M354-L357 HydrophobicContact CE-CD1 4.08Å; M354-L357 PolarHBondContact O-N 2.69Å; M354-L357 HydrophobicContact SD-CD1 4.18Å; L357-G359 VanDerWaalsContact C-N 3.28Å; L357-G359 PolarHBondContact O-N 2.87Å; L357-L360 HydrophobicContact CD2-CD1 4.32Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.36Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 3.22Å; L357-I361 VanDerWaalsContact O-N 3.12Å
358	M	97.1	Very high	94.3	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-35.8	172	-66.4	176.2	79.7	0	0	111.4	M354 F355 L360 I361 G362 W501 I505 F523 I526 A530	M354-M358 VanDerWaalsContact O-CG 3.22Å; M354-M358 WeakPolarHBondContact O-CG 3.3Å; M354-M358 PolarHBondContact O-N 3.49Å; F355-M358 HydrophobicContact CD1-SD 4.48Å; F355-M358 PolarHBondContact O-N 3.43Å; M358-L360 PolarHBondContact O-N 2.86Å; M358-I361 PolarHBondContact O-N 3.28Å; M358-G362 PolarHBondContact O-N 3.5Å; M358-W501 HydrophobicContact CB-CH2 4Å; M358-W501 HydrophobicContact CB-CZ3 3.93Å; M358-W501 HydrophobicContact CE-CE3 4.32Å; M358-W501 HydrophobicContact CE-CH2 4.4Å; M358-W501 HydrophobicContact CE-CZ3 3.67Å; M358-W501 HydrophobicContact CG-CZ3 3.99Å; M358-W501 WeakPolarHBondContact O-CH2 3.47Å; M358-I505 HydrophobicContact CE-CB 4.38Å; M358-I505 HydrophobicContact CE-CD1 4.3Å; M358-I505 HydrophobicContact CE-CG2 4.46Å; M358-I505 HydrophobicContact CG-CD1 3.97Å; M358-I505 HydrophobicContact SD-CG2 4.17Å; M358-F523 HydrophobicContact CE-CB 4.23Å; M358-F523 HydrophobicContact CE-CD1 4.46Å; M358-F523 VanDerWaalsContact CE-O 3.26Å; M358-F523 WeakPolarHBondContact CE-O 3.49Å; M358-F523 HydrophobicContact SD-CD1 3.79Å; M358-I526 HydrophobicContact CB-CG2 4.26Å; M358-I526 HydrophobicContact CE-CB 4.5Å; M358-I526 HydrophobicContact CE-CG2 4.37Å; M358-I526 HydrophobicContact SD-CG2 4.05Å; M358-A530 WeakPolarHBondContact O-CB 3.23Å
359	G	97.7	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-48.6	169.7	0	0	0	0	0	112.6	F355 L356 L357 I361 G362 G363 A566	F355-G359 PolarHBondContact O-N 2.83Å; L356-G359 WeakPolarHBondContact O-CA 3.44Å; L356-G359 PolarHBondContact O-N 3.49Å; L356-G359 VanDerWaalsContact O-N 3.13Å; L357-G359 VanDerWaalsContact C-N 3.28Å; L357-G359 PolarHBondContact O-N 2.87Å; G359-I361 PolarHBondContact O-N 3.04Å; G359-G362 PolarHBondContact O-N 3.31Å; G359-G363 PolarHBondContact O-N 2.9Å; G359-A566 WeakPolarHBondContact O-CA 3.38Å; G359-A566 WeakPolarHBondContact O-CB 3.13Å
360	L	98	Very high	95.4	Very high	75 Å²	75	38.6 Å²	38.6	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-45.5	176.6	-64.7	173	0	0	0	111.9	L356 L357 M358 G363 L364 V565 M569	L356-L360 PolarHBondContact O-N 3.23Å; L356-L360 VanDerWaalsContact O-N 3.13Å; L357-L360 HydrophobicContact CD2-CD1 4.32Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.36Å; M358-L360 PolarHBondContact O-N 2.86Å; L360-G363 PolarHBondContact O-N 3.34Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 PolarHBondContact O-N 2.93Å; L360-V565 HydrophobicContact CD2-CG1 3.46Å; L360-V565 VanDerWaalsContact CD2-CG1 3.46Å; L360-V565 HydrophobicContact CG-CG1 3.68Å; L360-M569 HydrophobicContact CD2-CB 4.06Å; L360-M569 HydrophobicContact CD2-CG 4.12Å; L360-M569 HydrophobicContact CD2-SD 4.17Å
361	I	97.6	Very high	95.8	Very high	79 Å²	79	39.7 Å²	39.7	41%	0.405	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-44.1	178.9	-65.4	166.9	0	0	0	111	L357 M358 G359 S365 W501 I505	L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 3.22Å; L357-I361 VanDerWaalsContact O-N 3.12Å; M358-I361 PolarHBondContact O-N 3.28Å; G359-I361 PolarHBondContact O-N 3.04Å; I361-S365 VanDerWaalsContact O-CB 3.28Å; I361-S365 WeakPolarHBondContact O-CB 3.3Å; I361-S365 PolarHBondContact O-N 3.21Å; I361-S365 PolarHBondContact O-OG 3.37Å; I361-W501 HydrophobicContact CB-CH2 4.26Å; I361-W501 HydrophobicContact CB-CZ3 4.4Å; I361-W501 HydrophobicContact CG2-CD2 4.45Å; I361-W501 HydrophobicContact CG2-CE3 4.27Å; I361-W501 HydrophobicContact CG2-CH2 4.1Å; I361-W501 HydrophobicContact CG2-CZ2 4.24Å; I361-W501 HydrophobicContact CG2-CZ3 4.1Å; I361-I505 HydrophobicContact CD1-CD1 4.16Å
362	G	97.4	Very high	96.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.4	0	0	0	0	0	113.2	M358 G359 S365 G366 A530	M358-G362 PolarHBondContact O-N 3.5Å; G359-G362 PolarHBondContact O-N 3.31Å; G362-S365 WeakPolarHBondContact CA-OG 3.35Å; G362-S365 PolarHBondContact O-OG 2.88Å; G362-G366 WeakPolarHBondContact O-CA 3.34Å; G362-G366 PolarHBondContact O-N 3.36Å; G362-A530 CarbonylContact C-O 3.58Å
363	G	97.4	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-48.1	175	0	0	0	0	0	113.2	G359 L360 G366 A367 A566	G359-G363 PolarHBondContact O-N 2.9Å; L360-G363 PolarHBondContact O-N 3.34Å; G363-G366 PolarHBondContact O-N 2.97Å; G363-A367 WeakPolarHBondContact O-CB 3.47Å; G363-A367 PolarHBondContact O-N 2.99Å; G363-A566 WeakPolarHBondContact CA-O 3.35Å
364	L	97.5	Very high	96.4	Very high	92 Å²	92	35 Å²	35	48%	0.482	19%	0.186	S	C	.	.	H	α-helix	trans	-65	-50.9	178.8	177.1	60.4	0	0	0	112.3	L360 G366 A367 L368 M569 L573	L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 PolarHBondContact O-N 2.93Å; L364-G366 VanDerWaalsContact C-N 3.27Å; L364-G366 PolarHBondContact O-N 3.49Å; L364-A367 PolarHBondContact O-N 3.33Å; L364-L368 PolarHBondContact O-N 2.97Å; L364-M569 HydrophobicContact CB-CE 4.45Å; L364-M569 HydrophobicContact CD1-CE 4.3Å; L364-L573 HydrophobicContact CD1-CD1 3.62Å
365	S	97.2	Very high	96.5	Very high	25 Å²	25	36.9 Å²	36.9	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-32.6	178.2	59.6	0	0	0	0	112.4	I361 G362 F369 Y475 Q531	I361-S365 VanDerWaalsContact O-CB 3.28Å; I361-S365 WeakPolarHBondContact O-CB 3.3Å; I361-S365 PolarHBondContact O-N 3.21Å; I361-S365 PolarHBondContact O-OG 3.37Å; G362-S365 WeakPolarHBondContact CA-OG 3.35Å; G362-S365 PolarHBondContact O-OG 2.88Å; S365-F369 WeakPolarHBondContact O-CB 3.27Å; S365-F369 PolarHBondContact O-N 3.02Å; S365-Y475 PolarHBondContact O-OH 3.23Å; S365-Q531 PolarHBondContact OG-NE2 2.72Å; S365-Q531 PolarHBondContact OG-OE1 3.22Å
366	G	97.2	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-72.3	-43	176	0	0	0	0	0	113.3	G362 G363 L364 L368 F369 V370 G534 I535	G362-G366 WeakPolarHBondContact O-CA 3.34Å; G362-G366 PolarHBondContact O-N 3.36Å; G363-G366 PolarHBondContact O-N 2.97Å; L364-G366 VanDerWaalsContact C-N 3.27Å; L364-G366 PolarHBondContact O-N 3.49Å; G366-L368 VanDerWaalsContact C-N 3.34Å; G366-L368 PolarHBondContact O-N 2.79Å; G366-F369 WeakPolarHBondContact O-CB 3.33Å; G366-F369 PolarHBondContact O-N 2.94Å; G366-V370 WeakPolarHBondContact O-CG2 3.44Å; G366-V370 PolarHBondContact O-N 2.81Å; G366-G534 CarbonylContact C-O 3.56Å; G366-G534 VanDerWaalsContact C-O 3.27Å; G366-G534 WeakPolarHBondContact CA-O 3.25Å; G366-I535 VanDerWaalsContact CA-CG1 3.45Å
367	A	96.3	Very high	96.3	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-41.2	172.2	0	0	0	0	0	112.3	G363 L364 F369 V370 K371 L573	G363-A367 WeakPolarHBondContact O-CB 3.47Å; G363-A367 PolarHBondContact O-N 2.99Å; L364-A367 PolarHBondContact O-N 3.33Å; A367-F369 VanDerWaalsContact C-N 3.33Å; A367-F369 PolarHBondContact O-N 3.3Å; A367-V370 PolarHBondContact O-N 3.34Å; A367-K371 PolarHBondContact O-N 3.09Å; A367-L573 HydrophobicContact CB-CB 3.66Å; A367-L573 HydrophobicContact CB-CD1 4.02Å
368	L	96.7	Very high	96.1	Very high	103 Å²	103	35.1 Å²	35.1	54%	0.539	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-39.2	174.9	-167.8	147.5	0	0	0	111.7	L364 G366 K371 A372 Y475	L364-L368 PolarHBondContact O-N 2.97Å; G366-L368 VanDerWaalsContact C-N 3.34Å; G366-L368 PolarHBondContact O-N 2.79Å; L368-K371 PolarHBondContact O-N 3.48Å; L368-A372 WeakPolarHBondContact O-CB 3.28Å; L368-A372 PolarHBondContact O-N 2.98Å; L368-Y475 HydrophobicContact CD2-CE1 4.2Å; L368-Y475 VanDerWaalsContact CD2-OH 3.26Å; L368-Y475 WeakPolarHBondContact CD2-OH 3.4Å
369	F	97.4	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-46.7	175	-173	-83.8	0	0	0	111.3	S365 G366 A367 N373 Y475 A478 C479 L490 I497 I535 I577	S365-F369 WeakPolarHBondContact O-CB 3.27Å; S365-F369 PolarHBondContact O-N 3.02Å; G366-F369 WeakPolarHBondContact O-CB 3.33Å; G366-F369 PolarHBondContact O-N 2.94Å; A367-F369 VanDerWaalsContact C-N 3.33Å; A367-F369 PolarHBondContact O-N 3.3Å; F369-N373 WeakPolarHBondContact O-CB 3.39Å; F369-N373 PolarHBondContact O-N 3.42Å; F369-Y475 WeakPolarHBondContact CA-OH 3.32Å; F369-Y475 HydrophobicContact CB-CE2 4.13Å; F369-Y475 WeakPolarHBondContact CB-OH 3.26Å; F369-Y475 HydrophobicContact CD2-CD2 4.18Å; F369-Y475 HydrophobicContact CD2-CE1 4.25Å; F369-Y475 AromaticContact CD2-CE2 3.86Å; F369-Y475 HydrophobicContact CD2-CE2 3.86Å; F369-Y475 AromaticContact CD2-CZ 3.91Å; F369-Y475 HydrophobicContact CG-CE2 4.49Å; F369-Y475 PolarHBondContact N-OH 3.29Å; F369-A478 HydrophobicContact CE2-CB 4.11Å; F369-A478 HydrophobicContact CZ-CB 4.23Å; F369-C479 HydrophobicContact CD2-CB 4.07Å; F369-C479 HydrophobicContact CE2-CB 3.58Å; F369-C479 HydrophobicContact CZ-CB 3.97Å; F369-L490 HydrophobicContact CE1-CD1 3.9Å; F369-L490 HydrophobicContact CE1-CD2 3.9Å; F369-L490 HydrophobicContact CE1-CG 4.49Å; F369-L490 HydrophobicContact CZ-CD1 3.91Å; F369-L490 HydrophobicContact CZ-CD2 4.46Å; F369-I497 HydrophobicContact CE2-CD1 4.44Å; F369-I535 HydrophobicContact CB-CD1 4.23Å; F369-I535 HydrophobicContact CB-CG1 4.27Å; F369-I535 HydrophobicContact CD1-CD1 4.04Å; F369-I535 HydrophobicContact CD1-CG1 4.33Å; F369-I535 HydrophobicContact CD1-CG2 4.19Å; F369-I535 HydrophobicContact CG-CD1 4.02Å; F369-I535 HydrophobicContact CG-CG1 4.44Å; F369-I577 HydrophobicContact CE1-CD1 4.15Å
370	V	95.9	Very high	95.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-43.9	177.1	177.1	0	0	0	0	111.2	G366 A367 N373 S374 I535 I577 E580	G366-V370 WeakPolarHBondContact O-CG2 3.44Å; G366-V370 PolarHBondContact O-N 2.81Å; A367-V370 PolarHBondContact O-N 3.34Å; V370-N373 PolarHBondContact O-N 3.5Å; V370-S374 WeakPolarHBondContact O-CB 3.25Å; V370-S374 PolarHBondContact O-N 3.24Å; V370-I535 HydrophobicContact CG2-CG2 4.16Å; V370-I577 HydrophobicContact CG2-CB 3.89Å; V370-I577 HydrophobicContact CG2-CG1 4.37Å; V370-E580 HydrophobicContact CG1-CB 4.08Å; V370-E580 HydrophobicContact CG1-CG 4.08Å
371	K	95.1	Very high	95.3	Very high	112 Å²	112	42 Å²	42	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-43.6	-178.7	-156.6	71.7	175.3	-175.1	0	112.4	A367 L368 S374 V375	A367-K371 PolarHBondContact O-N 3.09Å; L368-K371 PolarHBondContact O-N 3.48Å; K371-S374 WeakPolarHBondContact O-CB 3.37Å; K371-S374 PolarHBondContact O-N 3.49Å; K371-V375 WeakPolarHBondContact O-CG2 3.36Å; K371-V375 PolarHBondContact O-N 2.95Å; K371-V375 VanDerWaalsContact O-N 3.07Å
372	A	95.9	Very high	94.9	Very high	44 Å²	44	44.2 Å²	44.2	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-46	175.4	0	0	0	0	0	111.8	L368 S374 V375 L376	L368-A372 WeakPolarHBondContact O-CB 3.28Å; L368-A372 PolarHBondContact O-N 2.98Å; A372-S374 PolarHBondContact O-N 3.37Å; A372-V375 PolarHBondContact O-N 2.86Å; A372-L376 PolarHBondContact O-N 3.36Å
373	N	95.7	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-37	176	176.9	27.1	0	0	0	112.7	F369 V370 L376 T377 Y482 I577 H581	F369-N373 WeakPolarHBondContact O-CB 3.39Å; F369-N373 PolarHBondContact O-N 3.42Å; V370-N373 PolarHBondContact O-N 3.5Å; N373-L376 PolarHBondContact O-N 2.93Å; N373-T377 VanDerWaalsContact O-CB 3.25Å; N373-T377 WeakPolarHBondContact O-CB 3.41Å; N373-T377 PolarHBondContact O-N 3.14Å; N373-T377 PolarHBondContact O-OG1 3.41Å; N373-T377 PolarHBondContact OD1-OG1 3.24Å; N373-Y482 WeakPolarHBondContact ND2-CD1 3.38Å; N373-I577 WeakPolarHBondContact ND2-CD1 3.28Å; N373-H581 PolarHBondContact ND2-CE1 2.89Å; N373-H581 VanDerWaalsContact ND2-CE1 3.3Å
374	S	93.2	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-47.5	173.9	178.9	0	0	0	0	111.6	V370 K371 A372 L376 T377 R378 E580	V370-S374 WeakPolarHBondContact O-CB 3.25Å; V370-S374 PolarHBondContact O-N 3.24Å; K371-S374 WeakPolarHBondContact O-CB 3.37Å; K371-S374 PolarHBondContact O-N 3.49Å; A372-S374 PolarHBondContact O-N 3.37Å; S374-L376 PolarHBondContact O-N 2.95Å; S374-T377 PolarHBondContact O-N 2.96Å; S374-R378 VanDerWaalsContact O-CG 3.24Å; S374-R378 WeakPolarHBondContact O-CG 3.14Å; S374-R378 PolarHBondContact O-N 3.06Å; S374-R378 PolarHBondContact OG-NE 3.5Å; S374-R378 PolarHBondContact OG-NH2 2.9Å; S374-R378 VanDerWaalsContact OG-NH2 3.11Å; S374-E580 VanDerWaalsContact CB-OE1 3.22Å; S374-E580 WeakPolarHBondContact CB-OE1 3.49Å; S374-E580 PolarHBondContact OG-OE1 3.3Å
375	V	94.9	Very high	93.9	Very high	92 Å²	92	49.4 Å²	49.4	56%	0.558	25%	0.251	S	S	*	.	H	α-helix	trans	-60.4	-45.6	175.7	173	0	0	0	0	111.1	K371 A372 T377 R378 Y379	K371-V375 WeakPolarHBondContact O-CG2 3.36Å; K371-V375 PolarHBondContact O-N 2.95Å; K371-V375 VanDerWaalsContact O-N 3.07Å; A372-V375 PolarHBondContact O-N 2.86Å; V375-T377 VanDerWaalsContact C-N 3.32Å; V375-T377 PolarHBondContact O-N 3.47Å; V375-R378 PolarHBondContact O-N 3.01Å; V375-Y379 PolarHBondContact O-N 3.46Å
376	L	94.8	Very high	93.7	Very high	43 Å²	43	51.1 Å²	51.1	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-38	176	-179.2	59.7	0	0	0	112.4	A372 N373 S374 Y379 R380 I480	A372-L376 PolarHBondContact O-N 3.36Å; N373-L376 PolarHBondContact O-N 2.93Å; S374-L376 PolarHBondContact O-N 2.95Å; L376-Y379 WeakPolarHBondContact O-CB 3.19Å; L376-Y379 PolarHBondContact O-N 3.5Å; L376-R380 WeakPolarHBondContact O-CB 3.35Å; L376-R380 VanDerWaalsContact O-CG 3.31Å; L376-R380 WeakPolarHBondContact O-CG 3.27Å; L376-R380 PolarHBondContact O-N 3.05Å; L376-I480 HydrophobicContact CD2-CG1 4.44Å
377	T	93.4	Very high	93.6	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-70.9	-39.2	178.4	-63.5	0	0	0	0	111.9	N373 S374 V375 R380 Q381 H581 L584	N373-T377 VanDerWaalsContact O-CB 3.25Å; N373-T377 WeakPolarHBondContact O-CB 3.41Å; N373-T377 PolarHBondContact O-N 3.14Å; N373-T377 PolarHBondContact O-OG1 3.41Å; N373-T377 PolarHBondContact OD1-OG1 3.24Å; S374-T377 PolarHBondContact O-N 2.96Å; V375-T377 VanDerWaalsContact C-N 3.32Å; V375-T377 PolarHBondContact O-N 3.47Å; T377-R380 PolarHBondContact O-N 2.94Å; T377-Q381 WeakPolarHBondContact O-CB 3.37Å; T377-Q381 WeakPolarHBondContact O-CG 3.39Å; T377-Q381 PolarHBondContact O-N 3.31Å; T377-H581 PolarHBondContact OG1-NE2 3.44Å; T377-L584 HydrophobicContact CG2-CD1 3.88Å
378	R	91.3	Very high	93.5	Very high	52 Å²	52	64.1 Å²	64.1	20%	0.196	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-44.9	170.5	-65.4	164.7	-159.1	-123.3	-6.7	110.9	H62 E64 S374 V375 Q381 K382 E580 L584	H62-R378 PolarHBondContact ND1-NH1 2.94Å; E64-R378 IonicContact OE1-CZ 2.66Å; E64-R378 VanDerWaalsContact OE1-CZ 3.24Å; E64-R378 IonicContact OE1-NH1 3.54Å; E64-R378 PolarHBondContact OE1-NH1 2.85Å; E64-R378 IonicContact OE1-NH2 2.7Å; E64-R378 PolarHBondContact OE1-NH2 3.16Å; S374-R378 VanDerWaalsContact O-CG 3.24Å; S374-R378 WeakPolarHBondContact O-CG 3.14Å; S374-R378 PolarHBondContact O-N 3.06Å; S374-R378 PolarHBondContact OG-NE 3.5Å; S374-R378 PolarHBondContact OG-NH2 2.9Å; S374-R378 VanDerWaalsContact OG-NH2 3.11Å; V375-R378 PolarHBondContact O-N 3.01Å; R378-Q381 PolarHBondContact O-N 3.06Å; R378-K382 PolarHBondContact O-N 3.48Å; R378-K382 VanDerWaalsContact O-N 3.09Å; R378-E580 IonicContact NH2-OE1 2.87Å; R378-E580 PolarHBondContact NH2-OE1 3.33Å; R378-L584 HydrophobicContact CG-CD2 3.66Å
379	Y	93.8	Very high	93.4	Very high	133 Å²	133	62.7 Å²	62.7	52%	0.522	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-46.5	175.1	178.3	-85.7	0	0	0	112.1	V375 L376 Q381 K382 N383	V375-Y379 PolarHBondContact O-N 3.46Å; L376-Y379 WeakPolarHBondContact O-CB 3.19Å; L376-Y379 PolarHBondContact O-N 3.5Å; Y379-Q381 PolarHBondContact O-N 2.77Å; Y379-K382 PolarHBondContact O-N 3.42Å; Y379-N383 HydrophobicContact CE1-CB 4.28Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.35Å; Y379-N383 VanDerWaalsContact CZ-ND2 3.33Å; Y379-N383 WeakPolarHBondContact O-CB 3.49Å; Y379-N383 PolarHBondContact O-N 3.49Å
380	R	93.6	Very high	93.3	Very high	20 Å²	20	65.8 Å²	65.8	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.1	-78.5	169.5	164.3	152	-2.2	112.6	L376 T377 K382 I384 E393 I480 Y482	L376-R380 WeakPolarHBondContact O-CB 3.35Å; L376-R380 VanDerWaalsContact O-CG 3.31Å; L376-R380 WeakPolarHBondContact O-CG 3.27Å; L376-R380 PolarHBondContact O-N 3.05Å; T377-R380 PolarHBondContact O-N 2.94Å; R380-K382 VanDerWaalsContact C-N 3.35Å; R380-K382 PolarHBondContact O-N 3Å; R380-I384 HydrophobicContact CG-CD1 4.19Å; R380-I384 CarbonylContact O-C 3.59Å; R380-I384 WeakPolarHBondContact O-CA 3.22Å; R380-I384 PolarHBondContact O-N 3.11Å; R380-E393 IonicContact CZ-OE1 2.87Å; R380-E393 IonicContact NE-OE1 3.74Å; R380-E393 PolarHBondContact NE-OE1 2.87Å; R380-E393 IonicContact NE-OE2 2.77Å; R380-E393 IonicContact NH2-OE1 2.77Å; R380-E393 PolarHBondContact NH2-OE1 2.77Å; R380-I480 PolarHBondContact NH1-O 3.17Å; R380-I480 PolarHBondContact NH2-O 3.09Å; R380-Y482 PolarHBondContact NH1-O 3.21Å
381	Q	88.3	Confident	93.3	Very high	70 Å²	70	66.8 Å²	66.8	33%	0.327	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-39	177.9	-76	178.8	-17.9	0	0	112.4	T377 R378 Y379 L584	T377-Q381 WeakPolarHBondContact O-CB 3.37Å; T377-Q381 WeakPolarHBondContact O-CG 3.39Å; T377-Q381 PolarHBondContact O-N 3.31Å; R378-Q381 PolarHBondContact O-N 3.06Å; Y379-Q381 PolarHBondContact O-N 2.77Å; Q381-L584 PolarHBondContact NE2-O 2.88Å
382	K	90.1	Very high	93.4	Very high	126 Å²	126	65.8 Å²	65.8	55%	0.548	32%	0.323	S	S	.	.	H	α-helix	trans	-77.1	-44.4	178.1	-167	163	-174	160.7	0	113.1	D59 R378 Y379 R380	D59-K382 WeakPolarHBondContact OD1-CE 3.36Å; D59-K382 IonicContact OD1-NZ 2.73Å; D59-K382 PolarHBondContact OD1-NZ 3.31Å; R378-K382 PolarHBondContact O-N 3.48Å; R378-K382 VanDerWaalsContact O-N 3.09Å; Y379-K382 PolarHBondContact O-N 3.42Å; R380-K382 VanDerWaalsContact C-N 3.35Å; R380-K382 PolarHBondContact O-N 3Å
383	N	92.3	Very high	93.4	Very high	82 Å²	82	65 Å²	65	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-104.7	-30	-166.7	-66.9	1.5	0	0	0	114.8	Y379 T385	Y379-N383 HydrophobicContact CE1-CB 4.28Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.35Å; Y379-N383 VanDerWaalsContact CZ-ND2 3.33Å; Y379-N383 WeakPolarHBondContact O-CB 3.49Å; Y379-N383 PolarHBondContact O-N 3.49Å; N383-T385 PolarHBondContact O-N 3.32Å
384	I	91.4	Very high	93.5	Very high	31 Å²	31	65 Å²	65	16%	0.159	31%	0.312	C	S	.	.			trans	-104.7	62.9	-175	-48.8	-169.9	0	0	0	108.8	R380 N389 K390 E393	R380-I384 HydrophobicContact CG-CD1 4.19Å; R380-I384 CarbonylContact O-C 3.59Å; R380-I384 WeakPolarHBondContact O-CA 3.22Å; R380-I384 PolarHBondContact O-N 3.11Å; I384-N389 HydrophobicContact CG2-CB 3.92Å; I384-K390 HydrophobicContact CG2-CG 3.87Å; I384-K390 WeakPolarHBondContact O-CE 3.42Å; I384-E393 HydrophobicContact CD1-CG 4.19Å
385	T	87.5	Confident	93.6	Very high	88 Å²	88	68 Å²	68	54%	0.54	33%	0.327	S	S	.	.			trans	-82.7	-44.5	-175.8	55.9	0	0	0	0	112.6	N383 K390	N383-T385 PolarHBondContact O-N 3.32Å; T385-K390 WeakPolarHBondContact O-CE 3.32Å; T385-K390 PolarHBondContact O-NZ 3.46Å
386	T	93.5	Very high	93.7	Very high	60 Å²	60	68.8 Å²	68.8	37%	0.368	33%	0.328	S	S	.	.	S	Bend	trans	-68.5	154.1	-171.5	87.9	0	0	0	0	113.2	N389 K390	T386-N389 WeakPolarHBondContact OG1-CB 3.41Å; T386-N389 PolarHBondContact OG1-N 3.15Å; T386-N389 PolarHBondContact OG1-OD1 3.06Å; T386-K390 WeakPolarHBondContact O-CG 3.16Å; T386-K390 PolarHBondContact O-N 2.93Å
387	K	93.8	Very high	93.8	Very high	117 Å²	117	67.3 Å²	67.3	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-42.7	179.2	-68	-173.9	-177.3	178.7	0	112.7	V173 F174 K390	V173-K387 HydrophobicContact CG1-CB 3.57Å; V173-K387 HydrophobicContact CG1-CD 4.27Å; V173-K387 HydrophobicContact CG1-CG 3.81Å; F174-K387 HydrophobicContact CD1-CD 4.42Å; F174-K387 HydrophobicContact CE1-CD 4.12Å; K387-K390 PolarHBondContact O-N 3.21Å
388	Y	95.3	Very high	93.9	Very high	160 Å²	160	66.7 Å²	66.7	63%	0.627	32%	0.317	S	S	*	.	H	α-helix	trans	-70.1	-40.6	-177.6	-59.9	-66.4	0	0	0	111.9	F174 K390 I391 I392	F174-Y388 AromaticContact CZ-CE1 3.94Å; F174-Y388 HydrophobicContact CZ-CE1 3.94Å; Y388-K390 VanDerWaalsContact C-N 3.26Å; Y388-K390 PolarHBondContact O-N 3.07Å; Y388-I391 PolarHBondContact O-N 3.42Å; Y388-I392 WeakPolarHBondContact O-CG1 3.04Å; Y388-I392 PolarHBondContact O-N 3.15Å
389	N	95.2	Very high	94.1	Very high	72 Å²	72	66 Å²	66	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-37.4	178.5	-64.1	19	0	0	0	111.4	I384 T386 I391 I392 E393	I384-N389 HydrophobicContact CG2-CB 3.92Å; T386-N389 WeakPolarHBondContact OG1-CB 3.41Å; T386-N389 PolarHBondContact OG1-N 3.15Å; T386-N389 PolarHBondContact OG1-OD1 3.06Å; N389-I391 VanDerWaalsContact C-N 3.32Å; N389-I391 PolarHBondContact O-N 2.88Å; N389-I392 PolarHBondContact O-N 3Å; N389-E393 WeakPolarHBondContact O-CB 3.37Å; N389-E393 PolarHBondContact O-N 2.84Å
390	K	95	Very high	94.2	Very high	65 Å²	65	63.9 Å²	63.9	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-30.4	176.3	-70.1	171.1	-177.1	169.6	0	114.1	V173 I384 T385 T386 K387 Y388 A394	V173-K390 HydrophobicContact CG2-CB 4.09Å; I384-K390 HydrophobicContact CG2-CG 3.87Å; I384-K390 WeakPolarHBondContact O-CE 3.42Å; T385-K390 WeakPolarHBondContact O-CE 3.32Å; T385-K390 PolarHBondContact O-NZ 3.46Å; T386-K390 WeakPolarHBondContact O-CG 3.16Å; T386-K390 PolarHBondContact O-N 2.93Å; K387-K390 PolarHBondContact O-N 3.21Å; Y388-K390 VanDerWaalsContact C-N 3.26Å; Y388-K390 PolarHBondContact O-N 3.07Å; K390-A394 PolarHBondContact O-N 2.75Å
391	I	96.3	Very high	94.3	Very high	23 Å²	23	63.3 Å²	63.3	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-80	-44.3	176	-64.9	159.6	0	0	0	109.8	A169 V173 F174 Y388 N389 E393 A394 I395	A169-I391 HydrophobicContact CB-CB 4.48Å; A169-I391 HydrophobicContact CB-CG1 4.16Å; A169-I391 HydrophobicContact CB-CG2 4.42Å; V173-I391 HydrophobicContact CB-CD1 4.27Å; V173-I391 HydrophobicContact CB-CG1 4.28Å; V173-I391 HydrophobicContact CG1-CD1 4.2Å; V173-I391 HydrophobicContact CG1-CG1 4.49Å; V173-I391 HydrophobicContact CG2-CG1 4.15Å; F174-I391 HydrophobicContact CD2-CD1 4.18Å; F174-I391 HydrophobicContact CE2-CD1 3.55Å; F174-I391 HydrophobicContact CZ-CD1 4.43Å; Y388-I391 PolarHBondContact O-N 3.42Å; N389-I391 VanDerWaalsContact C-N 3.32Å; N389-I391 PolarHBondContact O-N 2.88Å; I391-E393 VanDerWaalsContact C-N 3.32Å; I391-E393 PolarHBondContact O-N 3.41Å; I391-A394 PolarHBondContact O-N 2.93Å; I391-I395 HydrophobicContact CG2-CD1 3.94Å; I391-I395 WeakPolarHBondContact O-CG1 3.41Å; I391-I395 PolarHBondContact O-N 3.42Å
392	I	96.5	Very high	94.6	Very high	91 Å²	91	60.1 Å²	60.1	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-59.3	-43.8	176.1	-66.4	165.2	0	0	0	110.5	Y388 N389 A394 I395 L396	Y388-I392 WeakPolarHBondContact O-CG1 3.04Å; Y388-I392 PolarHBondContact O-N 3.15Å; N389-I392 PolarHBondContact O-N 3Å; I392-A394 PolarHBondContact O-N 3.36Å; I392-I395 PolarHBondContact O-N 2.89Å; I392-L396 HydrophobicContact CG2-CD1 3.78Å; I392-L396 HydrophobicContact CG2-CG 4.22Å; I392-L396 WeakPolarHBondContact O-CB 2.99Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.34Å; I392-L396 PolarHBondContact O-N 3.32Å
393	E	96.2	Very high	94.8	Very high	28 Å²	28	57.5 Å²	57.5	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-48.1	176.1	-170	-167.2	-175.4	0	0	112.1	R380 I384 N389 I391 I395 L396 V397 L484	R380-E393 IonicContact CZ-OE1 2.87Å; R380-E393 IonicContact NE-OE1 3.74Å; R380-E393 PolarHBondContact NE-OE1 2.87Å; R380-E393 IonicContact NE-OE2 2.77Å; R380-E393 IonicContact NH2-OE1 2.77Å; R380-E393 PolarHBondContact NH2-OE1 2.77Å; I384-E393 HydrophobicContact CD1-CG 4.19Å; N389-E393 WeakPolarHBondContact O-CB 3.37Å; N389-E393 PolarHBondContact O-N 2.84Å; I391-E393 VanDerWaalsContact C-N 3.32Å; I391-E393 PolarHBondContact O-N 3.41Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 2.89Å; E393-L396 PolarHBondContact O-N 2.69Å; E393-V397 WeakPolarHBondContact O-CG2 3.31Å; E393-V397 PolarHBondContact O-N 2.93Å; E393-L484 HydrophobicContact CB-CD2 4.39Å; E393-L484 HydrophobicContact CG-CD2 3.72Å
394	A	96.2	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-38.5	179.4	0	0	0	0	0	112.2	T165 A169 K390 I391 I392 S398 L484 V486	T165-A394 HydrophobicContact CG2-CB 3.88Å; T165-A394 VanDerWaalsContact CG2-O 3.27Å; T165-A394 WeakPolarHBondContact CG2-O 3.42Å; A169-A394 HydrophobicContact CB-CB 3.83Å; K390-A394 PolarHBondContact O-N 2.75Å; I391-A394 PolarHBondContact O-N 2.93Å; I392-A394 PolarHBondContact O-N 3.36Å; A394-S398 WeakPolarHBondContact O-CB 3.45Å; A394-S398 PolarHBondContact O-N 2.91Å; A394-L484 HydrophobicContact CB-CD2 4.41Å; A394-V486 HydrophobicContact CB-CG1 4.39Å
395	I	96.9	Very high	94.9	Very high	62 Å²	62	55.5 Å²	55.5	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-45.4	174.2	-69.7	171.3	0	0	0	110.8	I391 I392 E393 S398 S399	I391-I395 HydrophobicContact CG2-CD1 3.94Å; I391-I395 WeakPolarHBondContact O-CG1 3.41Å; I391-I395 PolarHBondContact O-N 3.42Å; I392-I395 PolarHBondContact O-N 2.89Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 2.89Å; I395-S398 PolarHBondContact O-N 3.5Å; I395-S399 WeakPolarHBondContact O-CB 3.4Å; I395-S399 PolarHBondContact O-N 3.45Å
396	L	96.5	Very high	95.1	Very high	109 Å²	109	52.6 Å²	52.6	57%	0.571	27%	0.266	S	S	*	.	H	α-helix	trans	-64.3	-41.8	178.8	-72.7	172.8	0	0	0	112.4	I392 E393 S399 L400	I392-L396 HydrophobicContact CG2-CD1 3.78Å; I392-L396 HydrophobicContact CG2-CG 4.22Å; I392-L396 WeakPolarHBondContact O-CB 2.99Å; I392-L396 VanDerWaalsContact O-CG 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.34Å; I392-L396 PolarHBondContact O-N 3.32Å; E393-L396 PolarHBondContact O-N 2.69Å; L396-S399 PolarHBondContact O-N 3.49Å; L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 2.67Å
397	V	96.6	Very high	94.9	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-35.9	176.5	175.7	0	0	0	0	111.4	L220 E393 L400 T401 I480 L484	L220-V397 HydrophobicContact CD2-CG1 4.41Å; E393-V397 WeakPolarHBondContact O-CG2 3.31Å; E393-V397 PolarHBondContact O-N 2.93Å; V397-L400 PolarHBondContact O-N 2.94Å; V397-T401 VanDerWaalsContact O-CB 3.31Å; V397-T401 WeakPolarHBondContact O-CB 3.44Å; V397-T401 PolarHBondContact O-N 3.05Å; V397-T401 PolarHBondContact O-OG1 3.13Å; V397-I480 HydrophobicContact CG1-CG2 3.98Å; V397-I480 HydrophobicContact CG2-CG2 3.72Å; V397-L484 HydrophobicContact CB-CD1 3.97Å; V397-L484 HydrophobicContact CG1-CD1 3.93Å; V397-L484 HydrophobicContact CG2-CD1 4.39Å; V397-L484 HydrophobicContact CG2-CD2 4.18Å
398	S	96.1	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-46.3	173.1	-165.4	0	0	0	0	111.8	N161 T165 G218 A394 I395 T401 T402	N161-S398 PolarHBondContact O-OG 2.89Å; T165-S398 WeakPolarHBondContact OG1-CB 3.33Å; T165-S398 PolarHBondContact OG1-OG 3.28Å; G218-S398 PolarHBondContact O-OG 2.87Å; A394-S398 WeakPolarHBondContact O-CB 3.45Å; A394-S398 PolarHBondContact O-N 2.91Å; I395-S398 PolarHBondContact O-N 3.5Å; S398-T401 WeakPolarHBondContact O-CB 3.49Å; S398-T401 PolarHBondContact O-N 2.81Å; S398-T402 PolarHBondContact O-N 3.49Å; S398-T402 PolarHBondContact O-OG1 3.05Å; S398-T402 VanDerWaalsContact O-OG1 3.05Å
399	S	95.8	Very high	94.5	Very high	39 Å²	39	40.2 Å²	40.2	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-46	174.6	175.3	0	0	0	0	112.8	C158 I395 L396 T402 T403	C158-S399 PolarHBondContact SG-OG 3.49Å; C158-S399 VanDerWaalsContact SG-OG 3.42Å; I395-S399 WeakPolarHBondContact O-CB 3.4Å; I395-S399 PolarHBondContact O-N 3.45Å; L396-S399 PolarHBondContact O-N 3.49Å; S399-T402 PolarHBondContact O-N 3.44Å; S399-T402 PolarHBondContact O-OG1 3.04Å; S399-T403 VanDerWaalsContact O-CB 3.3Å; S399-T403 WeakPolarHBondContact O-CB 3.37Å; S399-T403 PolarHBondContact O-N 2.91Å; S399-T403 PolarHBondContact O-OG1 3.02Å
400	L	95.8	Very high	94.1	Very high	87 Å²	87	43.4 Å²	43.4	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-45.8	175.4	177.4	62.4	0	0	0	111.3	L396 V397 T403 L404	L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 2.67Å; V397-L400 PolarHBondContact O-N 2.94Å; L400-T403 PolarHBondContact O-N 3.41Å; L400-L404 WeakPolarHBondContact O-CB 3.44Å; L400-L404 PolarHBondContact O-N 3.29Å
401	T	95.3	Very high	93.8	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-50.7	177.8	-59.3	0	0	0	0	110.9	V397 S398 C405 L477	V397-T401 VanDerWaalsContact O-CB 3.31Å; V397-T401 WeakPolarHBondContact O-CB 3.44Å; V397-T401 PolarHBondContact O-N 3.05Å; V397-T401 PolarHBondContact O-OG1 3.13Å; S398-T401 WeakPolarHBondContact O-CB 3.49Å; S398-T401 PolarHBondContact O-N 2.81Å; T401-C405 WeakPolarHBondContact O-CB 3.15Å; T401-C405 PolarHBondContact O-N 2.93Å; T401-C405 PolarHBondContact O-SG 2.87Å; T401-L477 HydrophobicContact CG2-CD1 4.32Å
402	T	94.2	Very high	93.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-43.6	177.8	38.1	0	0	0	0	113.5	W157 C158 N161 S398 S399 C405 F406	W157-T402 HydrophobicContact CD2-CG2 4.14Å; W157-T402 HydrophobicContact CG-CG2 4.31Å; C158-T402 WeakPolarHBondContact CA-OG1 3.49Å; N161-T402 HydrophobicContact CB-CG2 3.69Å; N161-T402 WeakPolarHBondContact ND2-CG2 3.48Å; S398-T402 PolarHBondContact O-N 3.49Å; S398-T402 PolarHBondContact O-OG1 3.05Å; S398-T402 VanDerWaalsContact O-OG1 3.05Å; S399-T402 PolarHBondContact O-N 3.44Å; S399-T402 PolarHBondContact O-OG1 3.04Å; T402-C405 PolarHBondContact O-N 2.96Å; T402-F406 VanDerWaalsContact O-CB 3.31Å; T402-F406 WeakPolarHBondContact O-CB 3.45Å; T402-F406 PolarHBondContact O-N 3.08Å
403	T	93.6	Very high	92.7	Very high	70 Å²	70	48.1 Å²	48.1	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-42.6	-177.1	-57	0	0	0	0	110.6	S399 L400 S407	S399-T403 VanDerWaalsContact O-CB 3.3Å; S399-T403 WeakPolarHBondContact O-CB 3.37Å; S399-T403 PolarHBondContact O-N 2.91Å; S399-T403 PolarHBondContact O-OG1 3.02Å; L400-T403 PolarHBondContact O-N 3.41Å; T403-S407 VanDerWaalsContact O-CB 3.29Å; T403-S407 WeakPolarHBondContact O-CB 3.14Å; T403-S407 PolarHBondContact O-N 3.39Å; T403-S407 PolarHBondContact O-OG 3.44Å
404	L	94.1	Very high	92.1	Very high	62 Å²	62	48.6 Å²	48.6	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-66.2	-47.8	176.9	-170.2	57.4	0	0	0	111.4	L400 F406 S407 I408 V473 L477	L400-L404 WeakPolarHBondContact O-CB 3.44Å; L400-L404 PolarHBondContact O-N 3.29Å; L404-F406 PolarHBondContact O-N 2.9Å; L404-S407 PolarHBondContact O-N 2.89Å; L404-I408 HydrophobicContact CD1-CD1 4.06Å; L404-I408 HydrophobicContact CG-CD1 3.91Å; L404-I408 WeakPolarHBondContact O-CB 3.3Å; L404-I408 WeakPolarHBondContact O-CD1 3.2Å; L404-I408 VanDerWaalsContact O-CG1 3.26Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.09Å; L404-V473 HydrophobicContact CD2-CG1 3.67Å; L404-V473 HydrophobicContact CG-CG1 4Å; L404-L477 HydrophobicContact CD2-CD1 4.34Å; L404-L477 HydrophobicContact CD2-CD2 4.21Å; L404-L477 HydrophobicContact CD2-CG 4.35Å
405	C	92.6	Very high	91.6	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-44.1	177.1	-69.7	0	0	0	0	112.8	W157 T401 T402 I408 M409 L443	W157-C405 HydrophobicContact CH2-CB 3.89Å; W157-C405 HydrophobicContact CZ3-CB 4.25Å; T401-C405 WeakPolarHBondContact O-CB 3.15Å; T401-C405 PolarHBondContact O-N 2.93Å; T401-C405 PolarHBondContact O-SG 2.87Å; T402-C405 PolarHBondContact O-N 2.96Å; C405-I408 PolarHBondContact O-N 2.95Å; C405-M409 WeakPolarHBondContact O-CG 3.41Å; C405-M409 PolarHBondContact O-N 3.06Å; C405-M409 VanDerWaalsContact O-N 3.1Å; C405-L443 HydrophobicContact CB-CB 4.44Å; C405-L443 HydrophobicContact CB-CD1 4.42Å
406	F	91	Very high	91	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-42.8	177.4	-174	-97.6	0	0	0	112.1	I141 I150 W157 T402 L404 I408 M409 W410 M429	I141-F406 HydrophobicContact CD1-CE2 4.49Å; I150-F406 WeakPolarHBondContact O-CZ 3.37Å; W157-F406 HydrophobicContact CE3-CB 4.22Å; W157-F406 HydrophobicContact CE3-CD2 4.27Å; W157-F406 HydrophobicContact CZ3-CB 3.99Å; W157-F406 HydrophobicContact CZ3-CD2 4.42Å; T402-F406 VanDerWaalsContact O-CB 3.31Å; T402-F406 WeakPolarHBondContact O-CB 3.45Å; T402-F406 PolarHBondContact O-N 3.08Å; L404-F406 PolarHBondContact O-N 2.9Å; F406-I408 VanDerWaalsContact C-N 3.32Å; F406-I408 PolarHBondContact O-N 3.36Å; F406-M409 PolarHBondContact O-N 3.4Å; F406-W410 PolarHBondContact O-N 3.23Å; F406-W410 VanDerWaalsContact O-N 3.07Å; F406-M429 HydrophobicContact CE2-CE 4.45Å; F406-M429 HydrophobicContact CZ-CE 4.4Å
407	S	90.6	Very high	90.4	Very high	58 Å²	58	45.7 Å²	45.7	41%	0.406	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-38.8	178.8	-57.2	0	0	0	0	111.9	T403 L404 W410 A411	T403-S407 VanDerWaalsContact O-CB 3.29Å; T403-S407 WeakPolarHBondContact O-CB 3.14Å; T403-S407 PolarHBondContact O-N 3.39Å; T403-S407 PolarHBondContact O-OG 3.44Å; L404-S407 PolarHBondContact O-N 2.89Å; S407-W410 PolarHBondContact O-N 3.25Å; S407-A411 VanDerWaalsContact O-CB 3.31Å; S407-A411 WeakPolarHBondContact O-CB 3.45Å; S407-A411 PolarHBondContact O-N 3.23Å
408	I	91.5	Very high	89.5	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-45.1	177	-70.3	162.9	0	0	0	111.3	L404 C405 F406 W410 A411 V412 I439 L443 I469 V473	L404-I408 HydrophobicContact CD1-CD1 4.06Å; L404-I408 HydrophobicContact CG-CD1 3.91Å; L404-I408 WeakPolarHBondContact O-CB 3.3Å; L404-I408 WeakPolarHBondContact O-CD1 3.2Å; L404-I408 VanDerWaalsContact O-CG1 3.26Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.09Å; C405-I408 PolarHBondContact O-N 2.95Å; F406-I408 VanDerWaalsContact C-N 3.32Å; F406-I408 PolarHBondContact O-N 3.36Å; I408-W410 PolarHBondContact O-N 2.98Å; I408-A411 PolarHBondContact O-N 3.37Å; I408-V412 HydrophobicContact CG2-CG2 4.08Å; I408-V412 WeakPolarHBondContact O-CB 3.45Å; I408-V412 WeakPolarHBondContact O-CG2 3.45Å; I408-V412 PolarHBondContact O-N 2.92Å; I408-I439 HydrophobicContact CG2-CD1 3.44Å; I408-I439 VanDerWaalsContact CG2-CD1 3.44Å; I408-I439 HydrophobicContact CG2-CG1 4.15Å; I408-L443 HydrophobicContact CB-CD1 4.16Å; I408-L443 HydrophobicContact CG2-CD1 3.78Å; I408-I469 HydrophobicContact CG2-CG2 4.09Å; I408-V473 HydrophobicContact CD1-CB 4.15Å; I408-V473 HydrophobicContact CD1-CG1 3.72Å; I408-V473 HydrophobicContact CD1-CG2 3.71Å
409	M	88.7	Confident	88.4	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-28.5	176.2	-69.1	-174.7	-60.1	0	0	113.1	W157 C405 F406 L427 M429 I439 L443 F444	W157-M409 HydrophobicContact CH2-CE 3.78Å; W157-M409 HydrophobicContact CZ3-CE 3.48Å; W157-M409 VanDerWaalsContact CZ3-CE 3.48Å; C405-M409 WeakPolarHBondContact O-CG 3.41Å; C405-M409 PolarHBondContact O-N 3.06Å; C405-M409 VanDerWaalsContact O-N 3.1Å; F406-M409 PolarHBondContact O-N 3.4Å; M409-L427 HydrophobicContact SD-CD2 4.31Å; M409-M429 HydrophobicContact CB-SD 4.21Å; M409-I439 HydrophobicContact CG-CG2 4.46Å; M409-L443 HydrophobicContact CG-CB 4.44Å; M409-L443 HydrophobicContact CG-CD1 4.22Å; M409-L443 HydrophobicContact SD-CB 4.26Å; M409-F444 HydrophobicContact CE-CB 4.5Å; M409-F444 HydrophobicContact CE-CD2 4.34Å; M409-F444 HydrophobicContact SD-CB 3.91Å
410	W	86.5	Confident	87.3	Confident	139 Å²	139	56.4 Å²	56.4	53%	0.527	31%	0.305	S	S	.	.	H	α-helix	trans	-79.4	-37.8	174.8	-179.3	82.6	0	0	0	113.2	F406 S407 I408 M429	F406-W410 PolarHBondContact O-N 3.23Å; F406-W410 VanDerWaalsContact O-N 3.07Å; S407-W410 PolarHBondContact O-N 3.25Å; I408-W410 PolarHBondContact O-N 2.98Å; W410-M429 HydrophobicContact CB-CE 3.8Å; W410-M429 HydrophobicContact CG-CE 4.28Å
411	A	88.3	Confident	86.1	Confident	66 Å²	66	53.3 Å²	53.3	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-79.2	-37.6	-178.5	0	0	0	0	0	113.4	S407 I408 R413	S407-A411 VanDerWaalsContact O-CB 3.31Å; S407-A411 WeakPolarHBondContact O-CB 3.45Å; S407-A411 PolarHBondContact O-N 3.23Å; I408-A411 PolarHBondContact O-N 3.37Å; A411-R413 PolarHBondContact O-N 2.99Å
412	V	87.3	Confident	84.7	Confident	27 Å²	27	57.7 Å²	57.7	16%	0.164	32%	0.321	C	S	.	.			trans	-92.3	106.6	-173.2	-177.4	0	0	0	0	110.5	I408 D414 N437 I439 V466 I469	I408-V412 HydrophobicContact CG2-CG2 4.08Å; I408-V412 WeakPolarHBondContact O-CB 3.45Å; I408-V412 WeakPolarHBondContact O-CG2 3.45Å; I408-V412 PolarHBondContact O-N 2.92Å; V412-D414 HydrophobicContact CG1-CB 4.43Å; V412-D414 PolarHBondContact O-N 3.45Å; V412-N437 PolarHBondContact O-ND2 3.17Å; V412-I439 HydrophobicContact CB-CG2 4.06Å; V412-I439 HydrophobicContact CG1-CG2 4.18Å; V412-V466 HydrophobicContact CG1-CG2 3.63Å; V412-I469 HydrophobicContact CG2-CD1 4.03Å
413	R	82.8	Confident	83.4	Confident	184 Å²	184	59 Å²	59	69%	0.694	33%	0.331	S	S	*	.			trans	-97	77.1	177.4	-58.9	-175.7	-172.8	-168.9	1.7	110.5	A411	A411-R413 PolarHBondContact O-N 2.99Å
414	D	84.2	Confident	82.1	Confident	38 Å²	38	59.3 Å²	59.3	20%	0.203	34%	0.336	C	S	.	.			trans	-115.4	119.9	169.2	-171.5	36	0	0	0	107.6	V412 N437 S438 S463 V466	V412-D414 HydrophobicContact CG1-CB 4.43Å; V412-D414 PolarHBondContact O-N 3.45Å; D414-N437 CarbonylContact O-C 3.52Å; D414-N437 WeakPolarHBondContact O-CA 3.17Å; D414-S438 WeakPolarHBondContact CB-OG 3.49Å; D414-S438 VanDerWaalsContact CG-OG 3.28Å; D414-S438 PolarHBondContact O-N 3.43Å; D414-S438 PolarHBondContact OD2-OG 2.91Å; D414-S463 WeakPolarHBondContact OD2-CB 3.21Å; D414-S463 PolarHBondContact OD2-N 3.46Å; D414-S463 PolarHBondContact OD2-OG 3.39Å; D414-V466 HydrophobicContact CB-CG2 3.55Å; D414-V466 WeakPolarHBondContact OD2-CG2 3.29Å
415	C	85.3	Confident	81	Confident	43 Å²	43	59 Å²	59	29%	0.291	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.7	-168.3	-64.2	0	0	0	0	109.7	C431 E435 F436	C415-C431 HydrophobicContact CB-CB 3.7Å; C415-C431 WeakPolarHBondContact CB-SG 3.23Å; C415-C431 WeakPolarHBondContact SG-CA 3.45Å; C415-C431 WeakPolarHBondContact SG-CB 3.32Å; C415-C431 CovalentContact SG-SG 2.04Å; C415-C431 PolarHBondContact SG-SG 2.96Å; C415-E435 HydrophobicContact CB-CB 4.35Å; C415-E435 WeakPolarHBondContact CB-OE2 3.47Å; C415-F436 WeakPolarHBondContact CA-O 3.39Å
416	S	83.9	Confident	80.1	Confident	9 Å²	9	60.4 Å²	60.4	6%	0.063	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.7	-175	-50.1	0	0	0	0	109.8	E435 F436 S438 T461	S416-E435 CarbonylContact O-C 3.59Å; S416-E435 VanDerWaalsContact O-CA 3.26Å; S416-E435 WeakPolarHBondContact O-CA 2.97Å; S416-F436 PolarHBondContact N-O 3.49Å; S416-F436 WeakPolarHBondContact O-CD1 3.42Å; S416-F436 WeakPolarHBondContact O-CE1 3.47Å; S416-F436 PolarHBondContact O-N 2.64Å; S416-S438 WeakPolarHBondContact OG-CB 3.36Å; S416-T461 PolarHBondContact OG-O 2.92Å
417	P	84	Confident	79.5	Confident	59 Å²	59	59.1 Å²	59.1	38%	0.383	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.7	-178.7	28.7	-35.2	0	0	0	111.1	A419 Y420 F436	P417-A419 PolarHBondContact O-N 2.97Å; P417-Y420 HydrophobicContact CG-CD2 3.57Å; P417-Y420 HydrophobicContact CG-CE2 3.51Å; P417-Y420 HydrophobicContact CG-CG 4.26Å; P417-Y420 PolarHBondContact O-N 3.39Å; P417-Y420 VanDerWaalsContact O-N 3.09Å; P417-F436 WeakPolarHBondContact O-CE1 3.19Å
418	L	78.3	Confident	78.8	Confident	65 Å²	65	60.1 Å²	60.1	34%	0.34	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-54.4	-25.2	-176.2	-117.4	76.3	0	0	0	114.1	Y420 T421 P426 N434 E435 F436	L418-Y420 PolarHBondContact O-N 3.04Å; L418-T421 PolarHBondContact O-N 3.09Å; L418-P426 HydrophobicContact CD1-CB 4.33Å; L418-P426 HydrophobicContact CD2-CG 4.38Å; L418-P426 HydrophobicContact CG-CG 4.49Å; L418-N434 WeakPolarHBondContact CB-O 3.5Å; L418-N434 PolarHBondContact N-O 3.38Å; L418-E435 WeakPolarHBondContact CD1-O 3.29Å; L418-F436 HydrophobicContact CD1-CB 3.88Å; L418-F436 HydrophobicContact CD1-CD1 4.21Å
419	A	73.1	Confident	78	Confident	94 Å²	94	59.6 Å²	59.6	78%	0.777	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.2	179.5	0	0	0	0	0	114.2	P417	P417-A419 PolarHBondContact O-N 2.97Å
420	Y	72.2	Confident	77.4	Confident	115 Å²	115	63.9 Å²	63.9	45%	0.451	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-93.1	-9.5	-179.1	-60.5	-26.8	0	0	0	114.5	P417 L418 P458	P417-Y420 HydrophobicContact CG-CD2 3.57Å; P417-Y420 HydrophobicContact CG-CE2 3.51Å; P417-Y420 HydrophobicContact CG-CG 4.26Å; P417-Y420 PolarHBondContact O-N 3.39Å; P417-Y420 VanDerWaalsContact O-N 3.09Å; L418-Y420 PolarHBondContact O-N 3.04Å; Y420-P458 HydrophobicContact CD1-CG 3.77Å; Y420-P458 HydrophobicContact CG-CG 3.96Å
421	T	69.6	Low	77.2	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	33%	0.334	C	S	.	.			trans	-102.9	127.8	-176.4	-168.2	0	0	0	0	113.9	L418 S423 P426 F436	L418-T421 PolarHBondContact O-N 3.09Å; T421-S423 PolarHBondContact O-N 3.02Å; T421-S423 VanDerWaalsContact OG1-CB 3.26Å; T421-S423 WeakPolarHBondContact OG1-CB 3.33Å; T421-S423 PolarHBondContact OG1-N 3.32Å; T421-S423 VanDerWaalsContact OG1-N 3.15Å; T421-S423 PolarHBondContact OG1-OG 3.15Å; T421-P426 HydrophobicContact CG2-CB 4.23Å; T421-F436 HydrophobicContact CG2-CD1 3.73Å; T421-F436 HydrophobicContact CG2-CD2 4.41Å; T421-F436 HydrophobicContact CG2-CE1 3.67Å; T421-F436 HydrophobicContact CG2-CE2 4.36Å; T421-F436 HydrophobicContact CG2-CG 4.13Å; T421-F436 HydrophobicContact CG2-CZ 4.03Å
422	S	67.9	Low	76.7	Confident	102 Å²	102	58 Å²	58	71%	0.713	33%	0.33	S	S	*	.			trans	-81.5	8.8	167.4	-62.4	0	0	0	0	113.4
423	S	66.8	Low	76.1	Confident	31 Å²	31	62.8 Å²	62.8	22%	0.217	35%	0.354	C	S	.	.			trans	-76	138.4	-172.7	68.4	0	0	0	0	113.2	T421 F425	T421-S423 PolarHBondContact O-N 3.02Å; T421-S423 VanDerWaalsContact OG1-CB 3.26Å; T421-S423 WeakPolarHBondContact OG1-CB 3.33Å; T421-S423 PolarHBondContact OG1-N 3.32Å; T421-S423 VanDerWaalsContact OG1-N 3.15Å; T421-S423 PolarHBondContact OG1-OG 3.15Å; S423-F425 VanDerWaalsContact C-N 3.28Å; S423-F425 PolarHBondContact O-N 3.5Å
424	S	66	Low	76	Confident	76 Å²	76	59.6 Å²	59.6	53%	0.531	35%	0.351	S	S	.	.	S	Bend	trans	-77.5	-11.4	-177.9	-38.4	0	0	0	0	114.5	R449	S424-R449 PolarHBondContact OG-NH1 3.38Å
425	F	70.9	Confident	76	Confident	54 Å²	54	60.9 Å²	60.9	24%	0.237	36%	0.356	C	S	.	.	S	Bend	trans	-145.5	61.6	-173.6	-60.3	-65.2	0	0	0	110.2	K131 K135 S423 L427	K131-F425 HydrophobicContact CG-CE2 4.42Å; K131-F425 HydrophobicContact CG-CZ 4.04Å; K135-F425 HydrophobicContact CB-CE1 3.96Å; K135-F425 HydrophobicContact CB-CZ 4.16Å; K135-F425 HydrophobicContact CG-CE1 4.35Å; S423-F425 VanDerWaalsContact C-N 3.28Å; S423-F425 PolarHBondContact O-N 3.5Å; F425-L427 PolarHBondContact O-N 2.99Å
426	P	73.2	Confident	76	Confident	40 Å²	40	58.8 Å²	58.8	26%	0.26	34%	0.342	S	S	.	.			trans	-63	123.8	-178.7	26.7	-34.1	0	0	0	110.4	L418 T421 K428 F436	L418-P426 HydrophobicContact CD1-CB 4.33Å; L418-P426 HydrophobicContact CD2-CG 4.38Å; L418-P426 HydrophobicContact CG-CG 4.49Å; T421-P426 HydrophobicContact CG2-CB 4.23Å; P426-K428 PolarHBondContact O-N 3.22Å; P426-F436 HydrophobicContact CB-CB 3.9Å; P426-F436 HydrophobicContact CB-CG 4.4Å
427	L	78.3	Confident	76.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.339	C	S	.	.			trans	-89.6	108.5	-174.4	-156.6	73.8	0	0	0	110.5	I141 M409 F425 M429 N437 S440 F444	I141-L427 HydrophobicContact CB-CD1 4.24Å; I141-L427 HydrophobicContact CD1-CD1 4.1Å; I141-L427 HydrophobicContact CD1-CD2 4.11Å; I141-L427 HydrophobicContact CG2-CD1 4.03Å; I141-L427 HydrophobicContact CG2-CD2 4.33Å; I141-L427 HydrophobicContact CG2-CG 4.29Å; M409-L427 HydrophobicContact SD-CD2 4.31Å; F425-L427 PolarHBondContact O-N 2.99Å; L427-M429 VanDerWaalsContact C-N 3.25Å; L427-M429 HydrophobicContact CD2-CB 4.13Å; L427-M429 HydrophobicContact CD2-SD 4.04Å; L427-M429 HydrophobicContact CG-CB 4.24Å; L427-M429 PolarHBondContact O-N 2.97Å; L427-N437 PolarHBondContact O-N 3.35Å; L427-N437 VanDerWaalsContact O-N 3.1Å; L427-S440 WeakPolarHBondContact CB-OG 3.34Å; L427-F444 HydrophobicContact CD1-CD1 4.48Å; L427-F444 HydrophobicContact CD1-CE1 4.37Å
428	K	76.4	Confident	76.2	Confident	80 Å²	80	55.6 Å²	55.6	35%	0.348	32%	0.321	S	S	.	.			trans	-73.7	75.1	169.6	-70.4	-169.5	171.7	-176.6	0	110.5	P426 D433	P426-K428 PolarHBondContact O-N 3.22Å; K428-D433 IonicContact NZ-OD1 3.73Å; K428-D433 PolarHBondContact NZ-OD1 2.98Å
429	M	73.6	Confident	76.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.025	31%	0.305	C	S	.	.	S	Bend	trans	-112.8	105.3	-179.9	-167.9	167.2	-175.8	0	0	110.4	I141 I150 F406 M409 W410 L427 C431 N437	I141-M429 HydrophobicContact CG2-SD 4.46Å; I150-M429 HydrophobicContact CD1-CE 4.05Å; F406-M429 HydrophobicContact CE2-CE 4.45Å; F406-M429 HydrophobicContact CZ-CE 4.4Å; M409-M429 HydrophobicContact CB-SD 4.21Å; W410-M429 HydrophobicContact CB-CE 3.8Å; W410-M429 HydrophobicContact CG-CE 4.28Å; L427-M429 VanDerWaalsContact C-N 3.25Å; L427-M429 HydrophobicContact CD2-CB 4.13Å; L427-M429 HydrophobicContact CD2-SD 4.04Å; L427-M429 HydrophobicContact CG-CB 4.24Å; L427-M429 PolarHBondContact O-N 2.97Å; M429-C431 VanDerWaalsContact C-N 3.26Å; M429-C431 PolarHBondContact O-N 3.41Å; M429-N437 HydrophobicContact CB-CB 4.39Å
430	M	76.8	Confident	77.4	Confident	93 Å²	93	48.2 Å²	48.2	46%	0.458	27%	0.269	S	S	.	.	S	Bend	trans	61	23.7	-179.1	-56.8	-68.8	174.9	0	0	115.7
431	C	81.4	Confident	78.1	Confident	28 Å²	28	43 Å²	43	19%	0.189	25%	0.249	C	C	.	.			trans	-113.9	167	175.5	-59.5	0	0	0	0	111.7	C415 M429 E435	C415-C431 HydrophobicContact CB-CB 3.7Å; C415-C431 WeakPolarHBondContact CB-SG 3.23Å; C415-C431 WeakPolarHBondContact SG-CA 3.45Å; C415-C431 WeakPolarHBondContact SG-CB 3.32Å; C415-C431 CovalentContact SG-SG 2.04Å; C415-C431 PolarHBondContact SG-SG 2.96Å; M429-C431 VanDerWaalsContact C-N 3.26Å; M429-C431 PolarHBondContact O-N 3.41Å; C431-E435 HydrophobicContact CB-CB 3.77Å
432	A	79.7	Confident	79	Confident	54 Å²	54	42.2 Å²	42.2	45%	0.446	24%	0.244	S	C	.	.			trans	-73.5	170.2	178.9	0	0	0	0	0	112.9	N434 E435	A432-N434 PolarHBondContact O-N 3.32Å; A432-E435 HydrophobicContact CB-CG 4.38Å; A432-E435 WeakPolarHBondContact CB-OE2 3.13Å; A432-E435 PolarHBondContact N-OE2 3.49Å; A432-E435 WeakPolarHBondContact O-CB 3.44Å; A432-E435 PolarHBondContact O-N 3.02Å; A432-E435 VanDerWaalsContact O-N 3.08Å
433	D	73.1	Confident	80.1	Confident	126 Å²	126	38.1 Å²	38.1	67%	0.674	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.9	173.1	-93	-51.4	0	0	0	111.6	K428	K428-D433 IonicContact NZ-OD1 3.73Å; K428-D433 PolarHBondContact NZ-OD1 2.98Å
434	N	80.6	Confident	81.1	Confident	117 Å²	117	37 Å²	37	63%	0.626	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.2	-168.9	-49.2	-48.8	0	0	0	116.1	L418 A432	L418-N434 WeakPolarHBondContact CB-O 3.5Å; L418-N434 PolarHBondContact N-O 3.38Å; A432-N434 PolarHBondContact O-N 3.32Å
435	E	84	Confident	82.1	Confident	65 Å²	65	34.7 Å²	34.7	30%	0.304	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.5	166.9	-64.1	175.9	163.2	0	0	112	C415 S416 L418 C431 A432	C415-E435 HydrophobicContact CB-CB 4.35Å; C415-E435 WeakPolarHBondContact CB-OE2 3.47Å; S416-E435 CarbonylContact O-C 3.59Å; S416-E435 VanDerWaalsContact O-CA 3.26Å; S416-E435 WeakPolarHBondContact O-CA 2.97Å; L418-E435 WeakPolarHBondContact CD1-O 3.29Å; C431-E435 HydrophobicContact CB-CB 3.77Å; A432-E435 HydrophobicContact CB-CG 4.38Å; A432-E435 WeakPolarHBondContact CB-OE2 3.13Å; A432-E435 PolarHBondContact N-OE2 3.49Å; A432-E435 WeakPolarHBondContact O-CB 3.44Å; A432-E435 PolarHBondContact O-N 3.02Å; A432-E435 VanDerWaalsContact O-N 3.08Å
436	F	85.4	Confident	82.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.1	168.1	73.5	-77.8	0	0	0	110.1	C415 S416 P417 L418 T421 P426 S438	C415-F436 WeakPolarHBondContact CA-O 3.39Å; S416-F436 PolarHBondContact N-O 3.49Å; S416-F436 WeakPolarHBondContact O-CD1 3.42Å; S416-F436 WeakPolarHBondContact O-CE1 3.47Å; S416-F436 PolarHBondContact O-N 2.64Å; P417-F436 WeakPolarHBondContact O-CE1 3.19Å; L418-F436 HydrophobicContact CD1-CB 3.88Å; L418-F436 HydrophobicContact CD1-CD1 4.21Å; T421-F436 HydrophobicContact CG2-CD1 3.73Å; T421-F436 HydrophobicContact CG2-CD2 4.41Å; T421-F436 HydrophobicContact CG2-CE1 3.67Å; T421-F436 HydrophobicContact CG2-CE2 4.36Å; T421-F436 HydrophobicContact CG2-CG 4.13Å; T421-F436 HydrophobicContact CG2-CZ 4.03Å; P426-F436 HydrophobicContact CB-CB 3.9Å; P426-F436 HydrophobicContact CB-CG 4.4Å; F436-S438 PolarHBondContact O-N 3Å
437	N	86.5	Confident	83.6	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.6	175.6	178.6	-66.9	0	0	0	109.9	V412 D414 L427 M429 I439 S440	V412-N437 PolarHBondContact O-ND2 3.17Å; D414-N437 CarbonylContact O-C 3.52Å; D414-N437 WeakPolarHBondContact O-CA 3.17Å; L427-N437 PolarHBondContact O-N 3.35Å; L427-N437 VanDerWaalsContact O-N 3.1Å; M429-N437 HydrophobicContact CB-CB 4.39Å; N437-I439 PolarHBondContact O-N 3.49Å; N437-I439 WeakPolarHBondContact OD1-CG2 3.16Å; N437-I439 PolarHBondContact OD1-N 3.19Å; N437-S440 WeakPolarHBondContact O-CB 3.17Å; N437-S440 PolarHBondContact O-N 3.03Å; N437-S440 VanDerWaalsContact O-N 3.16Å; N437-S440 PolarHBondContact O-OG 3.46Å; N437-S440 PolarHBondContact OD1-N 3.47Å; N437-S440 VanDerWaalsContact OD1-N 3.11Å
438	S	86.9	Confident	84.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-43.5	-169.5	77.8	0	0	0	0	112.5	D414 S416 F436 S440 S441 Y462	D414-S438 WeakPolarHBondContact CB-OG 3.49Å; D414-S438 VanDerWaalsContact CG-OG 3.28Å; D414-S438 PolarHBondContact O-N 3.43Å; D414-S438 PolarHBondContact OD2-OG 2.91Å; S416-S438 WeakPolarHBondContact OG-CB 3.36Å; F436-S438 PolarHBondContact O-N 3Å; S438-S440 PolarHBondContact O-N 3.12Å; S438-S441 PolarHBondContact O-N 2.97Å; S438-S441 PolarHBondContact O-OG 3.5Å; S438-S441 VanDerWaalsContact O-OG 3.13Å; S438-Y462 WeakPolarHBondContact O-CE1 3.44Å
439	I	89.3	Confident	84.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-21.4	179.8	-162.6	156.3	0	0	0	112.4	I408 M409 V412 N437 L442 L443 V466 I469	I408-I439 HydrophobicContact CG2-CD1 3.44Å; I408-I439 VanDerWaalsContact CG2-CD1 3.44Å; I408-I439 HydrophobicContact CG2-CG1 4.15Å; M409-I439 HydrophobicContact CG-CG2 4.46Å; V412-I439 HydrophobicContact CB-CG2 4.06Å; V412-I439 HydrophobicContact CG1-CG2 4.18Å; N437-I439 PolarHBondContact O-N 3.49Å; N437-I439 WeakPolarHBondContact OD1-CG2 3.16Å; N437-I439 PolarHBondContact OD1-N 3.19Å; I439-L442 PolarHBondContact O-N 3.16Å; I439-L443 HydrophobicContact CD1-CD1 4.36Å; I439-L443 HydrophobicContact CG1-CD1 3.84Å; I439-L443 HydrophobicContact CG1-CG 4.22Å; I439-L443 PolarHBondContact O-N 3.19Å; I439-L443 VanDerWaalsContact O-N 3.12Å; I439-V466 HydrophobicContact CB-CG1 3.81Å; I439-V466 HydrophobicContact CB-CG2 4.21Å; I439-V466 HydrophobicContact CD1-CG1 4.12Å; I439-V466 HydrophobicContact CD1-CG2 4.48Å; I439-V466 HydrophobicContact CG1-CG1 4.07Å; I439-I469 HydrophobicContact CD1-CG2 4.16Å
440	S	86.6	Confident	85.3	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-31.7	174.9	81.6	0	0	0	0	113.7	L427 N437 S438 L442 F444	L427-S440 WeakPolarHBondContact CB-OG 3.34Å; N437-S440 WeakPolarHBondContact O-CB 3.17Å; N437-S440 PolarHBondContact O-N 3.03Å; N437-S440 VanDerWaalsContact O-N 3.16Å; N437-S440 PolarHBondContact O-OG 3.46Å; N437-S440 PolarHBondContact OD1-N 3.47Å; N437-S440 VanDerWaalsContact OD1-N 3.11Å; S438-S440 PolarHBondContact O-N 3.12Å; S440-L442 PolarHBondContact O-N 3.38Å; S440-F444 WeakPolarHBondContact O-CA 3.36Å; S440-F444 WeakPolarHBondContact O-CB 3.27Å; S440-F444 PolarHBondContact O-N 2.98Å
441	S	86.9	Confident	86	Confident	7 Å²	7	28.9 Å²	28.9	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-32.6	178.3	75	0	0	0	0	111.7	S438 S445 Y462	S438-S441 PolarHBondContact O-N 2.97Å; S438-S441 PolarHBondContact O-OG 3.5Å; S438-S441 VanDerWaalsContact O-OG 3.13Å; S441-S445 WeakPolarHBondContact O-CB 3.44Å; S441-S445 PolarHBondContact O-OG 3.39Å; S441-Y462 WeakPolarHBondContact OG-CE1 3.37Å; S441-Y462 PolarHBondContact OG-OH 2.8Å
442	L	89	Confident	86.4	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-79.1	-42.9	-179.7	-55.8	-179.9	0	0	0	112.2	I439 S440 S450 L454 Y462 V466 L467 F470	I439-L442 PolarHBondContact O-N 3.16Å; S440-L442 PolarHBondContact O-N 3.38Å; L442-S450 PolarHBondContact O-OG 3.5Å; L442-L454 HydrophobicContact CD1-CD2 4.43Å; L442-L454 HydrophobicContact CD2-CD1 4.18Å; L442-L454 HydrophobicContact CD2-CD2 3.98Å; L442-L454 HydrophobicContact CD2-CG 3.81Å; L442-Y462 HydrophobicContact CD1-CD1 4.22Å; L442-Y462 HydrophobicContact CD1-CE1 4.12Å; L442-Y462 HydrophobicContact CD2-CE1 4.09Å; L442-Y462 HydrophobicContact CG-CE1 3.97Å; L442-V466 HydrophobicContact CD1-CG1 4.49Å; L442-L467 HydrophobicContact CD1-CD2 4.31Å; L442-F470 HydrophobicContact CB-CD2 3.8Å; L442-F470 HydrophobicContact CB-CE2 3.69Å; L442-F470 HydrophobicContact CB-CG 4.43Å; L442-F470 HydrophobicContact CB-CZ 4.21Å; L442-F470 HydrophobicContact CD1-CB 4.34Å; L442-F470 HydrophobicContact CD1-CD1 4.13Å; L442-F470 HydrophobicContact CD1-CD2 4.15Å; L442-F470 HydrophobicContact CD1-CG 3.93Å
443	L	90.3	Very high	86.8	Confident	15 Å²	15	32.3 Å²	32.3	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-92.1	-27.3	-174.7	-64.6	179.7	0	0	0	114.9	C405 I408 M409 I439 F470	C405-L443 HydrophobicContact CB-CB 4.44Å; C405-L443 HydrophobicContact CB-CD1 4.42Å; I408-L443 HydrophobicContact CB-CD1 4.16Å; I408-L443 HydrophobicContact CG2-CD1 3.78Å; M409-L443 HydrophobicContact CG-CB 4.44Å; M409-L443 HydrophobicContact CG-CD1 4.22Å; M409-L443 HydrophobicContact SD-CB 4.26Å; I439-L443 HydrophobicContact CD1-CD1 4.36Å; I439-L443 HydrophobicContact CG1-CD1 3.84Å; I439-L443 HydrophobicContact CG1-CG 4.22Å; I439-L443 PolarHBondContact O-N 3.19Å; I439-L443 VanDerWaalsContact O-N 3.12Å; L443-F470 HydrophobicContact CD2-CD2 3.7Å; L443-F470 HydrophobicContact CD2-CE2 3.85Å; L443-F470 HydrophobicContact CG-CD2 4.25Å
444	F	88.6	Confident	87.6	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.035	13%	0.125	C	C	.	.	S	Bend	trans	-103.1	32.8	-177.7	-163.7	-104.8	0	0	0	112.7	Y134 V137 I141 W157 M409 L427 S440	Y134-F444 AromaticContact CD1-CD1 3.97Å; Y134-F444 HydrophobicContact CD1-CD1 3.97Å; Y134-F444 HydrophobicContact CD1-CD2 4.01Å; Y134-F444 AromaticContact CD1-CE1 3.79Å; Y134-F444 HydrophobicContact CD1-CE1 3.79Å; Y134-F444 AromaticContact CD1-CE2 3.85Å; Y134-F444 HydrophobicContact CD1-CE2 3.85Å; Y134-F444 HydrophobicContact CD1-CG 4.08Å; Y134-F444 AromaticContact CD1-CZ 3.74Å; Y134-F444 HydrophobicContact CD1-CZ 3.74Å; Y134-F444 WeakPolarHBondContact CD1-O 3.26Å; Y134-F444 HydrophobicContact CE1-CD2 4.19Å; Y134-F444 HydrophobicContact CE1-CE2 4.35Å; Y134-F444 HydrophobicContact CE1-CG 4.35Å; Y134-F444 WeakPolarHBondContact CE1-O 3.44Å; Y134-F444 HydrophobicContact CG-CE1 4.43Å; V137-F444 HydrophobicContact CB-CE2 4.16Å; V137-F444 HydrophobicContact CB-CZ 3.88Å; V137-F444 HydrophobicContact CG1-CE2 3.64Å; V137-F444 HydrophobicContact CG1-CZ 3.75Å; I141-F444 HydrophobicContact CD1-CE2 4.44Å; W157-F444 HydrophobicContact CD2-CE2 4.42Å; W157-F444 AromaticContact CH2-CD2 3.95Å; W157-F444 HydrophobicContact CH2-CD2 3.95Å; W157-F444 AromaticContact CZ2-CD2 3.9Å; W157-F444 HydrophobicContact CZ2-CD2 3.9Å; W157-F444 HydrophobicContact CZ2-CE2 4.34Å; W157-F444 HydrophobicContact CZ3-CD2 4.36Å; M409-F444 HydrophobicContact CE-CB 4.5Å; M409-F444 HydrophobicContact CE-CD2 4.34Å; M409-F444 HydrophobicContact SD-CB 3.91Å; L427-F444 HydrophobicContact CD1-CD1 4.48Å; L427-F444 HydrophobicContact CD1-CE1 4.37Å; S440-F444 WeakPolarHBondContact O-CA 3.36Å; S440-F444 WeakPolarHBondContact O-CB 3.27Å; S440-F444 PolarHBondContact O-N 2.98Å
445	S	86.5	Confident	88.1	Confident	27 Å²	27	20.9 Å²	20.9	19%	0.189	10%	0.096	C	C	.	.	S	Bend	trans	-137.7	179.2	173.6	72.9	0	0	0	0	111.5	Y134 S441 S450	Y134-S445 PolarHBondContact OH-O 3.04Å; S441-S445 WeakPolarHBondContact O-CB 3.44Å; S441-S445 PolarHBondContact O-OG 3.39Å; S445-S450 PolarHBondContact OG-OG 2.9Å
446	T	86.9	Confident	88.3	Confident	13 Å²	13	21.3 Å²	21.3	8%	0.08	10%	0.098	C	C	.	.			trans	-76.2	143.6	170.9	54.7	0	0	0	0	109.1	Y134 E448 R449 S450	Y134-T446 HydrophobicContact CE2-CG2 4.12Å; T446-E448 PolarHBondContact O-N 3.45Å; T446-E448 VanDerWaalsContact O-N 3.11Å; T446-R449 WeakPolarHBondContact O-CA 3.49Å; T446-R449 WeakPolarHBondContact O-CB 3.24Å; T446-R449 PolarHBondContact O-N 2.92Å; T446-R449 WeakPolarHBondContact OG1-CD 3.43Å; T446-R449 WeakPolarHBondContact OG1-CG 3.07Å; T446-S450 PolarHBondContact O-N 3.4Å; T446-S450 VanDerWaalsContact O-N 3.09Å; T446-S450 PolarHBondContact O-OG 3Å
447	P	89.8	Confident	88.3	Confident	16 Å²	16	21.5 Å²	21.5	10%	0.104	10%	0.099	C	C	.	.	H	α-helix	trans	-63.4	-25.8	-176.1	28.2	-36.6	0	0	0	112.2	R449 S450 L451 I492 L496	P447-R449 VanDerWaalsContact C-N 3.29Å; P447-R449 PolarHBondContact O-N 3.47Å; P447-S450 PolarHBondContact O-N 3.34Å; P447-L451 WeakPolarHBondContact O-CB 3.18Å; P447-L451 PolarHBondContact O-N 3.25Å; P447-I492 HydrophobicContact CB-CG2 3.86Å; P447-I492 HydrophobicContact CG-CG2 4.17Å; P447-L496 HydrophobicContact CB-CD2 3.67Å
448	E	87	Confident	88.2	Confident	33 Å²	33	23.9 Å²	23.9	15%	0.154	11%	0.114	C	C	.	.	H	α-helix	trans	-26.1	-61.8	152.3	51.8	66.1	-162.3	0	0	115	K224 V336 T446 I492	K224-E448 VanDerWaalsContact CE-OE1 3.23Å; K224-E448 WeakPolarHBondContact CE-OE1 3.45Å; K224-E448 IonicContact NZ-OE1 3.87Å; K224-E448 PolarHBondContact NZ-OE1 2.87Å; K224-E448 IonicContact NZ-OE2 2.69Å; K224-E448 PolarHBondContact NZ-OE2 2.65Å; V336-E448 HydrophobicContact CG2-CG 4.5Å; T446-E448 PolarHBondContact O-N 3.45Å; T446-E448 VanDerWaalsContact O-N 3.11Å; E448-I492 HydrophobicContact CB-CD1 4.39Å; E448-I492 HydrophobicContact CB-CG2 4.38Å; E448-I492 HydrophobicContact CG-CD1 4.29Å; E448-I492 HydrophobicContact CG-CG1 4.2Å; E448-I492 HydrophobicContact CG-CG2 4.2Å
449	R	84.9	Confident	88	Confident	85 Å²	85	26.3 Å²	26.3	32%	0.321	13%	0.13	S	C	.	.	H	α-helix	trans	-87.8	-39.4	-171.8	-64.3	173.2	178.3	-153.1	-0.3	111.2	E127 S424 T446 P447 L451 R452 T453	E127-R449 IonicContact OE1-CZ 2.63Å; E127-R449 IonicContact OE1-NH2 3.87Å; E127-R449 PolarHBondContact OE1-NH2 2.85Å; S424-R449 PolarHBondContact OG-NH1 3.38Å; T446-R449 WeakPolarHBondContact O-CA 3.49Å; T446-R449 WeakPolarHBondContact O-CB 3.24Å; T446-R449 PolarHBondContact O-N 2.92Å; T446-R449 WeakPolarHBondContact OG1-CD 3.43Å; T446-R449 WeakPolarHBondContact OG1-CG 3.07Å; P447-R449 VanDerWaalsContact C-N 3.29Å; P447-R449 PolarHBondContact O-N 3.47Å; R449-L451 PolarHBondContact O-N 2.99Å; R449-R452 PolarHBondContact O-N 3.21Å; R449-R452 VanDerWaalsContact O-N 3.07Å; R449-T453 PolarHBondContact O-N 3.34Å; R449-T453 PolarHBondContact O-OG1 3.44Å
450	S	90.5	Very high	87.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-55.1	-38.6	173.7	-42.3	0	0	0	0	112	L442 S445 T446 P447 T453 L454	L442-S450 PolarHBondContact O-OG 3.5Å; S445-S450 PolarHBondContact OG-OG 2.9Å; T446-S450 PolarHBondContact O-N 3.4Å; T446-S450 VanDerWaalsContact O-N 3.09Å; T446-S450 PolarHBondContact O-OG 3Å; P447-S450 PolarHBondContact O-N 3.34Å; S450-T453 WeakPolarHBondContact CA-OG1 3.36Å; S450-T453 PolarHBondContact O-OG1 3.34Å; S450-L454 WeakPolarHBondContact O-CG 3.33Å; S450-L454 PolarHBondContact O-N 3.3Å
451	L	92.2	Very high	87.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-45.1	176	178.5	55.4	0	0	0	111.2	F338 P447 R449 T453 L454 L455 I492 L495 L496 A499	F338-L451 HydrophobicContact CD1-CD2 4.36Å; F338-L451 HydrophobicContact CE1-CD2 3.79Å; P447-L451 WeakPolarHBondContact O-CB 3.18Å; P447-L451 PolarHBondContact O-N 3.25Å; R449-L451 PolarHBondContact O-N 2.99Å; L451-T453 PolarHBondContact O-N 3.5Å; L451-L454 PolarHBondContact O-N 2.9Å; L451-L455 HydrophobicContact CD1-CD1 3.93Å; L451-L455 HydrophobicContact CD1-CG 4.34Å; L451-L455 HydrophobicContact CG-CD1 3.96Å; L451-L455 WeakPolarHBondContact O-CD1 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.27Å; L451-L455 WeakPolarHBondContact O-CG 3.44Å; L451-L455 PolarHBondContact O-N 3.19Å; L451-L455 VanDerWaalsContact O-N 3.13Å; L451-I492 HydrophobicContact CD2-CD1 3.98Å; L451-L495 HydrophobicContact CD1-CB 4.23Å; L451-L495 HydrophobicContact CD2-CB 3.68Å; L451-L495 HydrophobicContact CD2-CD1 4.15Å; L451-L496 HydrophobicContact CB-CD1 4.13Å; L451-A499 HydrophobicContact CD1-CB 3.53Å
452	R	88.8	Confident	87.5	Confident	142 Å²	142	31.6 Å²	31.6	54%	0.536	16%	0.155	S	C	.	.	H	α-helix	trans	-64.8	-37.9	178.3	-174.7	169.9	177.5	-150.7	-7.3	113	R449 L455 H456	R449-R452 PolarHBondContact O-N 3.21Å; R449-R452 VanDerWaalsContact O-N 3.07Å; R452-L455 PolarHBondContact O-N 3.31Å; R452-H456 PolarHBondContact O-N 3.01Å
453	T	88.6	Confident	87.5	Confident	11 Å²	11	32.9 Å²	32.9	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-43.2	174.9	45.1	0	0	0	0	111.6	R449 S450 L451 L455 H456 D457	R449-T453 PolarHBondContact O-N 3.34Å; R449-T453 PolarHBondContact O-OG1 3.44Å; S450-T453 WeakPolarHBondContact CA-OG1 3.36Å; S450-T453 PolarHBondContact O-OG1 3.34Å; L451-T453 PolarHBondContact O-N 3.5Å; T453-L455 PolarHBondContact O-N 3.4Å; T453-H456 PolarHBondContact O-N 3.37Å; T453-D457 VanDerWaalsContact CB-OD2 3.28Å; T453-D457 WeakPolarHBondContact CB-OD2 3.42Å; T453-D457 VanDerWaalsContact O-CB 3.23Å; T453-D457 WeakPolarHBondContact O-CB 3.25Å; T453-D457 VanDerWaalsContact O-CG 3.27Å; T453-D457 PolarHBondContact O-N 2.93Å
454	L	91.4	Very high	87.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-27.4	175.4	-73	168	0	0	0	113.5	L442 S450 L451 Y462 L467 F470 L496 A499 R503	L442-L454 HydrophobicContact CD1-CD2 4.43Å; L442-L454 HydrophobicContact CD2-CD1 4.18Å; L442-L454 HydrophobicContact CD2-CD2 3.98Å; L442-L454 HydrophobicContact CD2-CG 3.81Å; S450-L454 WeakPolarHBondContact O-CG 3.33Å; S450-L454 PolarHBondContact O-N 3.3Å; L451-L454 PolarHBondContact O-N 2.9Å; L454-Y462 HydrophobicContact CD2-CD2 4.44Å; L454-Y462 HydrophobicContact CD2-CE2 4.46Å; L454-L467 HydrophobicContact CD2-CD2 3.55Å; L454-F470 HydrophobicContact CD1-CE1 4.14Å; L454-L496 HydrophobicContact CD1-CD1 3.68Å; L454-A499 HydrophobicContact CB-CB 4.17Å; L454-A499 HydrophobicContact CD1-CB 4.18Å; L454-R503 HydrophobicContact CD2-CB 4.43Å; L454-R503 HydrophobicContact CD2-CG 4.38Å; L454-R503 WeakPolarHBondContact O-CD 3.46Å; L454-R503 PolarHBondContact O-NH1 3.19Å
455	L	90.3	Very high	87.8	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-82.3	-30.4	177.8	-70.3	165.2	0	0	0	113.7	F338 F341 L451 R452 T453 A524 L525	F338-L455 HydrophobicContact CB-CD1 4.27Å; F338-L455 HydrophobicContact CD1-CD1 3.96Å; F338-L455 HydrophobicContact CG-CD1 4.34Å; F341-L455 HydrophobicContact CE1-CB 4.08Å; F341-L455 HydrophobicContact CE1-CD2 4.23Å; F341-L455 HydrophobicContact CZ-CB 4.04Å; F341-L455 HydrophobicContact CZ-CD1 4.25Å; F341-L455 HydrophobicContact CZ-CD2 4.14Å; F341-L455 HydrophobicContact CZ-CG 4.37Å; L451-L455 HydrophobicContact CD1-CD1 3.93Å; L451-L455 HydrophobicContact CD1-CG 4.34Å; L451-L455 HydrophobicContact CG-CD1 3.96Å; L451-L455 WeakPolarHBondContact O-CD1 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.27Å; L451-L455 WeakPolarHBondContact O-CG 3.44Å; L451-L455 PolarHBondContact O-N 3.19Å; L451-L455 VanDerWaalsContact O-N 3.13Å; R452-L455 PolarHBondContact O-N 3.31Å; T453-L455 PolarHBondContact O-N 3.4Å; L455-A524 HydrophobicContact CD2-CB 4.12Å; L455-L525 HydrophobicContact CD2-CB 3.87Å; L455-L525 HydrophobicContact CD2-CD1 4.42Å
456	H	87.4	Confident	88	Confident	74 Å²	74	37.1 Å²	37.1	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-125.3	-16.5	-168.5	-72	-76.4	0	0	0	117.2	F338 T340 F341 R452 T453	F338-H456 PolarHBondContact O-CD2 3.5Å; F338-H456 VanDerWaalsContact O-CD2 3.22Å; T340-H456 PolarHBondContact O-NE2 3.34Å; F341-H456 WeakPolarHBondContact CA-NE2 3.09Å; F341-H456 AromaticContact CD1-NE2 3.13Å; F341-H456 WeakPolarHBondContact CD1-NE2 3.29Å; F341-H456 AromaticContact CD2-NE2 3.29Å; F341-H456 VanDerWaalsContact CD2-NE2 3.29Å; F341-H456 WeakPolarHBondContact CD2-NE2 3.31Å; F341-H456 AromaticContact CE1-NE2 3.46Å; F341-H456 WeakPolarHBondContact CE1-NE2 3.34Å; F341-H456 AromaticContact CE2-NE2 3.59Å; F341-H456 AromaticContact CG-NE2 3.04Å; F341-H456 WeakPolarHBondContact CG-NE2 3.44Å; F341-H456 AromaticContact CZ-NE2 3.68Å; F341-H456 PolarHBondContact N-NE2 2.98Å; R452-H456 PolarHBondContact O-N 3.01Å; T453-H456 PolarHBondContact O-N 3.37Å
457	D	86.4	Confident	88.4	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.027	19%	0.187	C	C	.	.	S	Bend	trans	-66.4	148.8	177	-69.5	-1.1	0	0	0	109.8	T453 T461 Y462 R503	T453-D457 VanDerWaalsContact CB-OD2 3.28Å; T453-D457 WeakPolarHBondContact CB-OD2 3.42Å; T453-D457 VanDerWaalsContact O-CB 3.23Å; T453-D457 WeakPolarHBondContact O-CB 3.25Å; T453-D457 VanDerWaalsContact O-CG 3.27Å; T453-D457 PolarHBondContact O-N 2.93Å; D457-T461 HydrophobicContact CB-CG2 4.25Å; D457-Y462 HydrophobicContact CB-CE2 4.13Å; D457-Y462 PolarHBondContact OD2-OH 2.77Å; D457-R503 PolarHBondContact O-NH1 3.47Å; D457-R503 PolarHBondContact O-NH2 3.44Å
458	P	84.4	Confident	88.6	Confident	50 Å²	50	38.4 Å²	38.4	33%	0.325	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-65.5	162.6	-170.3	20.9	-28.8	0	0	0	114.1	Y420 T461 R503	Y420-P458 HydrophobicContact CD1-CG 3.77Å; Y420-P458 HydrophobicContact CG-CG 3.96Å; P458-T461 WeakPolarHBondContact CD-OG1 3.5Å; P458-T461 WeakPolarHBondContact CG-OG1 3.37Å; P458-T461 WeakPolarHBondContact O-CB 3.33Å; P458-T461 PolarHBondContact O-N 3.26Å; P458-T461 PolarHBondContact O-OG1 3.45Å; P458-R503 VanDerWaalsContact C-NH2 3.33Å; P458-R503 PolarHBondContact O-NH2 2.86Å
459	P	81.8	Confident	89	Confident	52 Å²	52	39.8 Å²	39.8	34%	0.338	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	149.6	175.9	22.1	-33.4	0	0	0	112	T461 P520	P459-T461 PolarHBondContact O-N 2.92Å; P459-P520 HydrophobicContact CB-CG 4Å
460	M	79.8	Confident	89.5	Confident	116 Å²	116	35.8 Å²	35.8	57%	0.571	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	4.4	-178.4	-55.4	-59.4	-73.9	0	0	117.3	Y462 T511	M460-Y462 PolarHBondContact O-N 3.34Å; M460-Y462 VanDerWaalsContact O-N 3.15Å; M460-T511 HydrophobicContact CE-CG2 4.31Å; M460-T511 HydrophobicContact SD-CG2 4.09Å
461	T	85.3	Confident	89.8	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-57	-28.2	173.9	-56.6	0	0	0	0	113.7	S416 D457 P458 P459	S416-T461 PolarHBondContact OG-O 2.92Å; D457-T461 HydrophobicContact CB-CG2 4.25Å; P458-T461 WeakPolarHBondContact CD-OG1 3.5Å; P458-T461 WeakPolarHBondContact CG-OG1 3.37Å; P458-T461 WeakPolarHBondContact O-CB 3.33Å; P458-T461 PolarHBondContact O-N 3.26Å; P458-T461 PolarHBondContact O-OG1 3.45Å; P459-T461 PolarHBondContact O-N 2.92Å
462	Y	87.1	Confident	90	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	22%	0.219	C	C	.	.	S	Bend	trans	-123.2	128.1	-178.7	-62.7	-77.3	0	0	0	111	S438 S441 L442 L454 D457 M460 V466 L467 N507	S438-Y462 WeakPolarHBondContact O-CE1 3.44Å; S441-Y462 WeakPolarHBondContact OG-CE1 3.37Å; S441-Y462 PolarHBondContact OG-OH 2.8Å; L442-Y462 HydrophobicContact CD1-CD1 4.22Å; L442-Y462 HydrophobicContact CD1-CE1 4.12Å; L442-Y462 HydrophobicContact CD2-CE1 4.09Å; L442-Y462 HydrophobicContact CG-CE1 3.97Å; L454-Y462 HydrophobicContact CD2-CD2 4.44Å; L454-Y462 HydrophobicContact CD2-CE2 4.46Å; D457-Y462 HydrophobicContact CB-CE2 4.13Å; D457-Y462 PolarHBondContact OD2-OH 2.77Å; M460-Y462 PolarHBondContact O-N 3.34Å; M460-Y462 VanDerWaalsContact O-N 3.15Å; Y462-V466 HydrophobicContact CD1-CG1 4.47Å; Y462-L467 HydrophobicContact CG-CD2 4.26Å; Y462-N507 PolarHBondContact O-ND2 2.9Å
463	S	90	Very high	90.3	Very high	31 Å²	31	35.8 Å²	35.8	22%	0.217	20%	0.202	C	C	.	.			trans	-65.5	146.5	172.2	62.8	0	0	0	0	111.7	D414 S465 V466 L467	D414-S463 WeakPolarHBondContact OD2-CB 3.21Å; D414-S463 PolarHBondContact OD2-N 3.46Å; D414-S463 PolarHBondContact OD2-OG 3.39Å; S463-S465 PolarHBondContact O-N 3.32Å; S463-S465 PolarHBondContact OG-OG 2.98Å; S463-V466 PolarHBondContact O-N 3.17Å; S463-V466 WeakPolarHBondContact OG-CB 3.46Å; S463-V466 VanDerWaalsContact OG-CG2 3.32Å; S463-V466 WeakPolarHBondContact OG-CG2 3.23Å; S463-V466 PolarHBondContact OG-N 3.22Å; S463-L467 PolarHBondContact O-N 2.74Å; S463-L467 VanDerWaalsContact O-N 3.07Å
464	I	91.7	Very high	90.6	Very high	65 Å²	65	36.3 Å²	36.3	33%	0.333	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-33.7	-179.5	-66.8	170.8	0	0	0	111	T468 I504 L508	I464-T468 WeakPolarHBondContact O-CB 3.44Å; I464-T468 PolarHBondContact O-N 3.32Å; I464-T468 PolarHBondContact O-OG1 3.01Å; I464-I504 HydrophobicContact CG2-CG2 4.1Å; I464-L508 HydrophobicContact CD1-CD2 3.8Å; I464-L508 HydrophobicContact CD1-CG 4.14Å
465	S	92.2	Very high	90.9	Very high	75 Å²	75	37.7 Å²	37.7	52%	0.524	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-47.4	173.9	43.1	0	0	0	0	112.4	S463 T468 I469	S463-S465 PolarHBondContact O-N 3.32Å; S463-S465 PolarHBondContact OG-OG 2.98Å; S465-T468 PolarHBondContact O-N 2.94Å; S465-I469 VanDerWaalsContact O-CG1 3.31Å; S465-I469 WeakPolarHBondContact O-CG1 3.36Å; S465-I469 PolarHBondContact O-N 3.33Å
466	V	92.5	Very high	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-48.8	174.6	156.5	0	0	0	0	111.7	V412 D414 I439 L442 Y462 S463 T468 I469 F470	V412-V466 HydrophobicContact CG1-CG2 3.63Å; D414-V466 HydrophobicContact CB-CG2 3.55Å; D414-V466 WeakPolarHBondContact OD2-CG2 3.29Å; I439-V466 HydrophobicContact CB-CG1 3.81Å; I439-V466 HydrophobicContact CB-CG2 4.21Å; I439-V466 HydrophobicContact CD1-CG1 4.12Å; I439-V466 HydrophobicContact CD1-CG2 4.48Å; I439-V466 HydrophobicContact CG1-CG1 4.07Å; L442-V466 HydrophobicContact CD1-CG1 4.49Å; Y462-V466 HydrophobicContact CD1-CG1 4.47Å; S463-V466 PolarHBondContact O-N 3.17Å; S463-V466 WeakPolarHBondContact OG-CB 3.46Å; S463-V466 VanDerWaalsContact OG-CG2 3.32Å; S463-V466 WeakPolarHBondContact OG-CG2 3.23Å; S463-V466 PolarHBondContact OG-N 3.22Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.07Å; V466-I469 PolarHBondContact O-N 2.93Å; V466-F470 VanDerWaalsContact O-CB 3.29Å; V466-F470 WeakPolarHBondContact O-CB 3.35Å; V466-F470 PolarHBondContact O-N 3.07Å
467	L	94.3	Very high	91.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-40.2	179	-68.5	172.9	0	0	0	111.5	L442 L454 Y462 S463 F470 V471 R503 I504	L442-L467 HydrophobicContact CD1-CD2 4.31Å; L454-L467 HydrophobicContact CD2-CD2 3.55Å; Y462-L467 HydrophobicContact CG-CD2 4.26Å; S463-L467 PolarHBondContact O-N 2.74Å; S463-L467 VanDerWaalsContact O-N 3.07Å; L467-F470 PolarHBondContact O-N 3.49Å; L467-V471 WeakPolarHBondContact O-CB 3.33Å; L467-V471 VanDerWaalsContact O-CG2 3.24Å; L467-V471 WeakPolarHBondContact O-CG2 3.43Å; L467-V471 PolarHBondContact O-N 3.23Å; L467-R503 HydrophobicContact CD1-CB 4.2Å; L467-R503 HydrophobicContact CD1-CG 3.98Å; L467-I504 HydrophobicContact CB-CD1 3.84Å; L467-I504 HydrophobicContact CB-CG1 3.47Å; L467-I504 VanDerWaalsContact CB-CG1 3.47Å; L467-I504 HydrophobicContact CD1-CG1 3.96Å; L467-I504 HydrophobicContact CG-CG1 4.36Å
468	T	95.3	Very high	92	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.344	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-45.9	178.6	-56.9	0	0	0	0	111.6	I464 S465 V466 V471 L472	I464-T468 WeakPolarHBondContact O-CB 3.44Å; I464-T468 PolarHBondContact O-N 3.32Å; I464-T468 PolarHBondContact O-OG1 3.01Å; S465-T468 PolarHBondContact O-N 2.94Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.07Å; T468-V471 PolarHBondContact O-N 2.89Å; T468-L472 HydrophobicContact CG2-CD1 4.02Å; T468-L472 WeakPolarHBondContact O-CG 3.22Å; T468-L472 PolarHBondContact O-N 2.81Å; T468-L472 VanDerWaalsContact O-N 3.09Å
469	I	94.8	Very high	92.5	Very high	61 Å²	61	38.1 Å²	38.1	31%	0.313	21%	0.206	S	C	.	.	H	α-helix	trans	-61.2	-46.9	176.2	-68.1	165.4	0	0	0	110.3	I408 V412 I439 S465 V466 V473	I408-I469 HydrophobicContact CG2-CG2 4.09Å; V412-I469 HydrophobicContact CG2-CD1 4.03Å; I439-I469 HydrophobicContact CD1-CG2 4.16Å; S465-I469 VanDerWaalsContact O-CG1 3.31Å; S465-I469 WeakPolarHBondContact O-CG1 3.36Å; S465-I469 PolarHBondContact O-N 3.33Å; V466-I469 PolarHBondContact O-N 2.93Å; I469-V473 WeakPolarHBondContact O-CB 3.2Å; I469-V473 WeakPolarHBondContact O-CG2 3.31Å; I469-V473 PolarHBondContact O-N 2.85Å; I469-V473 VanDerWaalsContact O-N 3.08Å
470	F	94.9	Very high	93.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-50.9	178.1	172	-101.1	0	0	0	112.2	L442 L443 L454 V466 L467 Y474 L496	L442-F470 HydrophobicContact CB-CD2 3.8Å; L442-F470 HydrophobicContact CB-CE2 3.69Å; L442-F470 HydrophobicContact CB-CG 4.43Å; L442-F470 HydrophobicContact CB-CZ 4.21Å; L442-F470 HydrophobicContact CD1-CB 4.34Å; L442-F470 HydrophobicContact CD1-CD1 4.13Å; L442-F470 HydrophobicContact CD1-CD2 4.15Å; L442-F470 HydrophobicContact CD1-CG 3.93Å; L443-F470 HydrophobicContact CD2-CD2 3.7Å; L443-F470 HydrophobicContact CD2-CE2 3.85Å; L443-F470 HydrophobicContact CG-CD2 4.25Å; L454-F470 HydrophobicContact CD1-CE1 4.14Å; V466-F470 VanDerWaalsContact O-CB 3.29Å; V466-F470 WeakPolarHBondContact O-CB 3.35Å; V466-F470 PolarHBondContact O-N 3.07Å; L467-F470 PolarHBondContact O-N 3.49Å; F470-Y474 HydrophobicContact CE2-CD2 4.2Å; F470-Y474 HydrophobicContact CE2-CG 4.49Å; F470-Y474 HydrophobicContact CZ-CD2 4.38Å; F470-Y474 HydrophobicContact CZ-CG 4.4Å; F470-Y474 WeakPolarHBondContact O-CB 3.29Å; F470-Y474 PolarHBondContact O-N 3.27Å; F470-L496 HydrophobicContact CE1-CD1 4.23Å; F470-L496 HydrophobicContact CE1-CG 4.19Å; F470-L496 HydrophobicContact CZ-CD1 3.98Å; F470-L496 HydrophobicContact CZ-CD2 4.01Å; F470-L496 HydrophobicContact CZ-CG 3.81Å
471	V	96.7	Very high	94	Very high	17 Å²	17	33 Å²	33	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-50.7	-179.2	167.9	0	0	0	0	111.2	L467 T468 V473 Y474 Y475 G500 W501	L467-V471 WeakPolarHBondContact O-CB 3.33Å; L467-V471 VanDerWaalsContact O-CG2 3.24Å; L467-V471 WeakPolarHBondContact O-CG2 3.43Å; L467-V471 PolarHBondContact O-N 3.23Å; T468-V471 PolarHBondContact O-N 2.89Å; V471-V473 PolarHBondContact O-N 2.85Å; V471-Y474 PolarHBondContact O-N 3.44Å; V471-Y475 WeakPolarHBondContact O-CB 3.47Å; V471-Y475 PolarHBondContact O-N 3.03Å; V471-G500 VanDerWaalsContact CG2-C 3.46Å; V471-W501 HydrophobicContact CG1-CB 4.36Å; V471-W501 HydrophobicContact CG2-CB 4.37Å
472	L	96.1	Very high	94.3	Very high	99 Å²	99	33.5 Å²	33.5	52%	0.518	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-48.4	-177.8	-71.2	171.7	0	0	0	111.4	T468 Y475 F476	T468-L472 HydrophobicContact CG2-CD1 4.02Å; T468-L472 WeakPolarHBondContact O-CG 3.22Å; T468-L472 PolarHBondContact O-N 2.81Å; T468-L472 VanDerWaalsContact O-N 3.09Å; L472-Y475 PolarHBondContact O-N 3.47Å; L472-F476 WeakPolarHBondContact O-CD2 3.45Å; L472-F476 PolarHBondContact O-N 2.73Å
473	V	94.9	Very high	94.5	Very high	29 Å²	29	35 Å²	35	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-47.3	-179.4	167.5	0	0	0	0	111.3	L404 I408 I469 V471 Y475 F476 L477	L404-V473 HydrophobicContact CD2-CG1 3.67Å; L404-V473 HydrophobicContact CG-CG1 4Å; I408-V473 HydrophobicContact CD1-CB 4.15Å; I408-V473 HydrophobicContact CD1-CG1 3.72Å; I408-V473 HydrophobicContact CD1-CG2 3.71Å; I469-V473 WeakPolarHBondContact O-CB 3.2Å; I469-V473 WeakPolarHBondContact O-CG2 3.31Å; I469-V473 PolarHBondContact O-N 2.85Å; I469-V473 VanDerWaalsContact O-N 3.08Å; V471-V473 PolarHBondContact O-N 2.85Å; V473-Y475 VanDerWaalsContact C-N 3.32Å; V473-Y475 PolarHBondContact O-N 3.35Å; V473-F476 PolarHBondContact O-N 3.1Å; V473-L477 HydrophobicContact CG1-CD1 3.67Å; V473-L477 HydrophobicContact CG1-CG 4.29Å; V473-L477 WeakPolarHBondContact O-CB 3.29Å; V473-L477 VanDerWaalsContact O-CG 3.31Å; V473-L477 WeakPolarHBondContact O-CG 3.4Å; V473-L477 PolarHBondContact O-N 3.44Å
474	Y	96.1	Very high	94.7	Very high	22 Å²	22	33.6 Å²	33.6	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-69.2	-30.8	-177.7	-161.7	-82.8	0	0	0	112.2	A221 F470 V471 L477 A478 P493 L496 I497	A221-Y474 HydrophobicContact CB-CE1 4.25Å; A221-Y474 HydrophobicContact CB-CE2 4.08Å; F470-Y474 HydrophobicContact CE2-CD2 4.2Å; F470-Y474 HydrophobicContact CE2-CG 4.49Å; F470-Y474 HydrophobicContact CZ-CD2 4.38Å; F470-Y474 HydrophobicContact CZ-CG 4.4Å; F470-Y474 WeakPolarHBondContact O-CB 3.29Å; F470-Y474 PolarHBondContact O-N 3.27Å; V471-Y474 PolarHBondContact O-N 3.44Å; Y474-L477 PolarHBondContact O-N 2.9Å; Y474-A478 HydrophobicContact CD1-CB 4.46Å; Y474-A478 HydrophobicContact CE1-CB 4.34Å; Y474-A478 VanDerWaalsContact O-CB 3.25Å; Y474-A478 WeakPolarHBondContact O-CB 3.46Å; Y474-A478 PolarHBondContact O-N 3.01Å; Y474-P493 HydrophobicContact CE1-CB 4.05Å; Y474-L496 HydrophobicContact CE1-CB 4.47Å; Y474-L496 HydrophobicContact CE1-CD2 4Å; Y474-L496 HydrophobicContact CE1-CG 4.45Å; Y474-L496 HydrophobicContact CE2-CD2 4.01Å; Y474-I497 HydrophobicContact CD1-CD1 4.38Å; Y474-I497 HydrophobicContact CD1-CG1 3.83Å; Y474-I497 HydrophobicContact CE1-CG1 4.49Å
475	Y	96.9	Very high	94.9	Very high	29 Å²	29	31.5 Å²	31.5	11%	0.114	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-51.6	172.2	-176.3	-86.2	0	0	0	111.9	S365 L368 F369 V471 L472 V473 A478 C479 I497	S365-Y475 PolarHBondContact O-OH 3.23Å; L368-Y475 HydrophobicContact CD2-CE1 4.2Å; L368-Y475 VanDerWaalsContact CD2-OH 3.26Å; L368-Y475 WeakPolarHBondContact CD2-OH 3.4Å; F369-Y475 WeakPolarHBondContact CA-OH 3.32Å; F369-Y475 HydrophobicContact CB-CE2 4.13Å; F369-Y475 WeakPolarHBondContact CB-OH 3.26Å; F369-Y475 HydrophobicContact CD2-CD2 4.18Å; F369-Y475 HydrophobicContact CD2-CE1 4.25Å; F369-Y475 AromaticContact CD2-CE2 3.86Å; F369-Y475 HydrophobicContact CD2-CE2 3.86Å; F369-Y475 AromaticContact CD2-CZ 3.91Å; F369-Y475 HydrophobicContact CG-CE2 4.49Å; F369-Y475 PolarHBondContact N-OH 3.29Å; V471-Y475 WeakPolarHBondContact O-CB 3.47Å; V471-Y475 PolarHBondContact O-N 3.03Å; L472-Y475 PolarHBondContact O-N 3.47Å; V473-Y475 VanDerWaalsContact C-N 3.32Å; V473-Y475 PolarHBondContact O-N 3.35Å; Y475-A478 PolarHBondContact O-N 2.99Å; Y475-C479 WeakPolarHBondContact O-CB 3.26Å; Y475-C479 PolarHBondContact O-N 3.2Å; Y475-I497 HydrophobicContact CD2-CD1 4.21Å; Y475-I497 HydrophobicContact CD2-CG2 3.89Å
476	F	95.9	Very high	95	Very high	127 Å²	127	27.9 Å²	27.9	56%	0.557	15%	0.151	S	C	*	.	H	α-helix	trans	-66.6	-41.1	177.4	-68.1	-62.4	0	0	0	112.3	L472 V473 A478 C479 I480	L472-F476 WeakPolarHBondContact O-CD2 3.45Å; L472-F476 PolarHBondContact O-N 2.73Å; V473-F476 PolarHBondContact O-N 3.1Å; F476-A478 PolarHBondContact O-N 2.65Å; F476-C479 PolarHBondContact O-N 3.3Å; F476-I480 WeakPolarHBondContact O-CG1 3.32Å; F476-I480 PolarHBondContact O-N 2.96Å
477	L	95.7	Very high	95.2	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-44.5	176.4	-72.7	173	0	0	0	112.2	A221 T401 L404 V473 Y474 I480 T481	A221-L477 HydrophobicContact CB-CB 4.45Å; T401-L477 HydrophobicContact CG2-CD1 4.32Å; L404-L477 HydrophobicContact CD2-CD1 4.34Å; L404-L477 HydrophobicContact CD2-CD2 4.21Å; L404-L477 HydrophobicContact CD2-CG 4.35Å; V473-L477 HydrophobicContact CG1-CD1 3.67Å; V473-L477 HydrophobicContact CG1-CG 4.29Å; V473-L477 WeakPolarHBondContact O-CB 3.29Å; V473-L477 VanDerWaalsContact O-CG 3.31Å; V473-L477 WeakPolarHBondContact O-CG 3.4Å; V473-L477 PolarHBondContact O-N 3.44Å; Y474-L477 PolarHBondContact O-N 2.9Å; L477-I480 PolarHBondContact O-N 3.44Å; L477-T481 WeakPolarHBondContact O-CB 3.49Å; L477-T481 PolarHBondContact O-N 3.02Å; L477-T481 PolarHBondContact O-OG1 2.68Å
478	A	96.2	Very high	95.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-39.8	176.6	0	0	0	0	0	112.1	A221 F369 Y474 Y475 F476 T481 Y482 P493 I497	A221-A478 HydrophobicContact CB-CB 4.31Å; F369-A478 HydrophobicContact CE2-CB 4.11Å; F369-A478 HydrophobicContact CZ-CB 4.23Å; Y474-A478 HydrophobicContact CD1-CB 4.46Å; Y474-A478 HydrophobicContact CE1-CB 4.34Å; Y474-A478 VanDerWaalsContact O-CB 3.25Å; Y474-A478 WeakPolarHBondContact O-CB 3.46Å; Y474-A478 PolarHBondContact O-N 3.01Å; Y475-A478 PolarHBondContact O-N 2.99Å; F476-A478 PolarHBondContact O-N 2.65Å; A478-T481 PolarHBondContact O-N 3.34Å; A478-Y482 PolarHBondContact O-N 3.06Å; A478-P493 HydrophobicContact CB-CB 4.05Å; A478-I497 HydrophobicContact CB-CD1 4.06Å
479	C	95.6	Very high	95	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.9	-169.6	0	0	0	0	111.9	F369 Y475 F476	F369-C479 HydrophobicContact CD2-CB 4.07Å; F369-C479 HydrophobicContact CE2-CB 3.58Å; F369-C479 HydrophobicContact CZ-CB 3.97Å; Y475-C479 WeakPolarHBondContact O-CB 3.26Å; Y475-C479 PolarHBondContact O-N 3.2Å; F476-C479 PolarHBondContact O-N 3.3Å
480	I	95.5	Very high	94.9	Very high	61 Å²	61	22.9 Å²	22.9	31%	0.313	12%	0.124	S	C	.	.	H	α-helix	trans	-70.1	-37.8	177.1	-65.7	165.9	0	0	0	111.4	L376 R380 V397 F476 L477	L376-I480 HydrophobicContact CD2-CG1 4.44Å; R380-I480 PolarHBondContact NH1-O 3.17Å; R380-I480 PolarHBondContact NH2-O 3.09Å; V397-I480 HydrophobicContact CG1-CG2 3.98Å; V397-I480 HydrophobicContact CG2-CG2 3.72Å; F476-I480 WeakPolarHBondContact O-CG1 3.32Å; F476-I480 PolarHBondContact O-N 2.96Å; L477-I480 PolarHBondContact O-N 3.44Å
481	T	95.9	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.9	-37.3	-176.5	-62.4	0	0	0	0	112.6	L220 V222 L477 A478 L484	L220-T481 HydrophobicContact CB-CG2 3.89Å; L220-T481 HydrophobicContact CD1-CG2 4.36Å; L220-T481 HydrophobicContact CD2-CG2 4.3Å; L220-T481 HydrophobicContact CG-CG2 4.43Å; V222-T481 HydrophobicContact CG1-CG2 3.4Å; V222-T481 VanDerWaalsContact CG1-CG2 3.4Å; L477-T481 WeakPolarHBondContact O-CB 3.49Å; L477-T481 PolarHBondContact O-N 3.02Å; L477-T481 PolarHBondContact O-OG1 2.68Å; A478-T481 PolarHBondContact O-N 3.34Å; T481-L484 HydrophobicContact CG2-CD1 4.27Å; T481-L484 WeakPolarHBondContact O-CB 3.19Å; T481-L484 VanDerWaalsContact O-CG 3.31Å; T481-L484 WeakPolarHBondContact O-CG 3.26Å; T481-L484 PolarHBondContact O-N 3.05Å
482	Y	92.3	Very high	94.7	Very high	13 Å²	13	22.1 Å²	22.1	5%	0.051	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	139.5	174	-168.8	-92.2	0	0	0	110.5	N373 R380 A478 L490 I577 H581	N373-Y482 WeakPolarHBondContact ND2-CD1 3.38Å; R380-Y482 PolarHBondContact NH1-O 3.21Å; A478-Y482 PolarHBondContact O-N 3.06Å; Y482-L490 HydrophobicContact CD2-CB 4.09Å; Y482-L490 HydrophobicContact CD2-CD1 3.39Å; Y482-L490 HydrophobicContact CD2-CG 4.33Å; Y482-L490 HydrophobicContact CE2-CB 4.1Å; Y482-L490 HydrophobicContact CE2-CD1 4.14Å; Y482-L490 HydrophobicContact CG-CD1 3.71Å; Y482-I577 HydrophobicContact CD1-CD1 4.02Å; Y482-I577 HydrophobicContact CE1-CD1 3.7Å; Y482-I577 HydrophobicContact CE1-CG1 4.12Å; Y482-I577 HydrophobicContact CE2-CD1 4.32Å; Y482-I577 HydrophobicContact CG-CD1 4.42Å; Y482-H581 AromaticContact CE1-CD2 3.9Å; Y482-H581 AromaticContact CE1-CE1 3.72Å; Y482-H581 AromaticContact CE1-NE2 3.53Å
483	G	91.2	Very high	94.7	Very high	33 Å²	33	17.5 Å²	17.5	34%	0.34	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-8.1	-174.2	0	0	0	0	0	115.2
484	L	94.5	Very high	94.8	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.086	C	C	.	.	S	Bend	trans	-60.5	156.3	165.9	-72.4	177.2	0	0	0	111.8	S180 L220 E393 A394 V397 T481 V486	S180-L484 PolarHBondContact OG-O 3.39Å; L220-L484 HydrophobicContact CD1-CD1 4.43Å; E393-L484 HydrophobicContact CB-CD2 4.39Å; E393-L484 HydrophobicContact CG-CD2 3.72Å; A394-L484 HydrophobicContact CB-CD2 4.41Å; V397-L484 HydrophobicContact CB-CD1 3.97Å; V397-L484 HydrophobicContact CG1-CD1 3.93Å; V397-L484 HydrophobicContact CG2-CD1 4.39Å; V397-L484 HydrophobicContact CG2-CD2 4.18Å; T481-L484 HydrophobicContact CG2-CD1 4.27Å; T481-L484 WeakPolarHBondContact O-CB 3.19Å; T481-L484 VanDerWaalsContact O-CG 3.31Å; T481-L484 WeakPolarHBondContact O-CG 3.26Å; T481-L484 PolarHBondContact O-N 3.05Å; L484-V486 HydrophobicContact CB-CG2 4Å; L484-V486 PolarHBondContact O-N 3.19Å
485	S	94.9	Very high	94.8	Very high	20 Å²	20	15.1 Å²	15.1	14%	0.14	8%	0.083	C	C	.	.	S	Bend	trans	-78.5	49.5	179.5	-64.7	0	0	0	0	113.6	V172	V172-S485 WeakPolarHBondContact CB-O 3.41Å
486	V	96.1	Very high	94.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-135	158.6	178.8	-65.2	0	0	0	0	110.9	A168 A169 G181 A215 L220 A394 L484 A488	A168-V486 HydrophobicContact CB-CG1 4.13Å; A169-V486 HydrophobicContact CB-CG1 3.89Å; G181-V486 PolarHBondContact N-O 3.48Å; A215-V486 HydrophobicContact CB-CB 4.43Å; L220-V486 HydrophobicContact CD1-CG2 4Å; A394-V486 HydrophobicContact CB-CG1 4.39Å; L484-V486 HydrophobicContact CB-CG2 4Å; L484-V486 PolarHBondContact O-N 3.19Å; V486-A488 PolarHBondContact O-N 2.98Å
487	P	96.4	Very high	94.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-73.4	121.7	174.4	-17.7	35.9	0	0	0	110.7	V172 K208 V212	V172-P487 HydrophobicContact CG2-CG 3.8Å; K208-P487 HydrophobicContact CG-CB 3.83Å; K208-P487 HydrophobicContact CG-CG 4.28Å; V212-P487 HydrophobicContact CB-CB 4.04Å
488	A	92.7	Very high	94.9	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.033	5%	0.05	C	C	.	.			trans	-151.8	126	-169.6	0	0	0	0	0	112.6	G181 S182 V222 V486	G181-A488 CarbonylContact C-O 3.58Å; G181-A488 PolarHBondContact O-N 3.43Å; G181-A488 VanDerWaalsContact O-N 3.11Å; S182-A488 WeakPolarHBondContact CA-O 3.33Å; S182-A488 WeakPolarHBondContact CB-O 3.35Å; S182-A488 PolarHBondContact N-O 2.89Å; V222-A488 HydrophobicContact CB-CB 3.97Å; V222-A488 HydrophobicContact CG1-CB 3.53Å; V486-A488 PolarHBondContact O-N 2.98Å
489	G	92.4	Very high	94.9	Very high	3 Å²	3	7.5 Å²	7.5	3%	0.031	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-98	141.7	168.5	0	0	0	0	0	112.1	G223	G223-G489 PolarHBondContact N-O 3.21Å; G223-G489 VanDerWaalsContact O-CA 3.29Å; G223-G489 WeakPolarHBondContact O-CA 3.24Å; G223-G489 PolarHBondContact O-N 2.88Å
490	L	93.2	Very high	94.9	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.021	5%	0.047	C	C	.	.	S	Bend	trans	-91.7	-16.1	-179.8	-158.6	96.7	0	0	0	114	F369 Y482 I492 P493 S494 I535 I577	F369-L490 HydrophobicContact CE1-CD1 3.9Å; F369-L490 HydrophobicContact CE1-CD2 3.9Å; F369-L490 HydrophobicContact CE1-CG 4.49Å; F369-L490 HydrophobicContact CZ-CD1 3.91Å; F369-L490 HydrophobicContact CZ-CD2 4.46Å; Y482-L490 HydrophobicContact CD2-CB 4.09Å; Y482-L490 HydrophobicContact CD2-CD1 3.39Å; Y482-L490 HydrophobicContact CD2-CG 4.33Å; Y482-L490 HydrophobicContact CE2-CB 4.1Å; Y482-L490 HydrophobicContact CE2-CD1 4.14Å; Y482-L490 HydrophobicContact CG-CD1 3.71Å; L490-I492 PolarHBondContact O-N 3.14Å; L490-P493 VanDerWaalsContact O-CD 3.26Å; L490-P493 WeakPolarHBondContact O-CD 3.22Å; L490-S494 VanDerWaalsContact CD2-OG 3.22Å; L490-S494 WeakPolarHBondContact CD2-OG 3.31Å; L490-S494 PolarHBondContact O-N 3.5Å; L490-S494 PolarHBondContact O-OG 2.87Å; L490-S494 VanDerWaalsContact O-OG 3.14Å; L490-I535 HydrophobicContact CD2-CG2 3.5Å; L490-I577 HydrophobicContact CD1-CD1 4.3Å; L490-I577 HydrophobicContact CD2-CD1 3.62Å; L490-I577 HydrophobicContact CG-CD1 4.49Å
491	F	93.5	Very high	95	Very high	4 Å²	4	5.5 Å²	5.5	2%	0.018	4%	0.037	C	C	.	.	H	α-helix	trans	-48.5	-57.2	-175.6	-82.5	-78	0	0	0	113.8	I184 I229 F279 F288 S494 L495 L532 Y578	I184-F491 HydrophobicContact CD1-CD2 4.36Å; I184-F491 HydrophobicContact CD1-CE2 3.65Å; I229-F491 HydrophobicContact CD1-CE2 4.44Å; F279-F491 HydrophobicContact CE1-CB 4.38Å; F279-F491 HydrophobicContact CE1-CD1 4.48Å; F279-F491 HydrophobicContact CE1-CG 4.48Å; F279-F491 HydrophobicContact CZ-CB 4.03Å; F279-F491 AromaticContact CZ-CD1 3.86Å; F279-F491 HydrophobicContact CZ-CD1 3.86Å; F279-F491 HydrophobicContact CZ-CD2 4.11Å; F279-F491 HydrophobicContact CZ-CE1 4.33Å; F279-F491 AromaticContact CZ-CG 3.75Å; F279-F491 HydrophobicContact CZ-CG 3.75Å; F288-F491 HydrophobicContact CE2-CZ 4.4Å; F491-S494 PolarHBondContact O-N 3.37Å; F491-L495 VanDerWaalsContact O-CG 3.29Å; F491-L495 WeakPolarHBondContact O-CG 3.48Å; F491-L495 PolarHBondContact O-N 3.49Å; F491-L532 HydrophobicContact CD1-CD1 3.67Å; F491-L532 HydrophobicContact CD1-CD2 3.7Å; F491-L532 HydrophobicContact CD1-CG 4.29Å; F491-L532 HydrophobicContact CE1-CD1 4.11Å; F491-L532 HydrophobicContact CE1-CD2 4.16Å; F491-L532 HydrophobicContact CG-CD1 4.47Å; F491-Y578 WeakPolarHBondContact CE2-OH 3.25Å
492	I	94.1	Very high	95	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67.6	-44	-178	-64	-69.7	0	0	0	112.4	E225 V336 P447 E448 L451 L490 S494 L495 L496	E225-I492 HydrophobicContact CG-CG1 3.99Å; V336-I492 HydrophobicContact CG1-CD1 4.03Å; V336-I492 HydrophobicContact CG2-CD1 3.61Å; V336-I492 HydrophobicContact CG2-CG1 4.26Å; P447-I492 HydrophobicContact CB-CG2 3.86Å; P447-I492 HydrophobicContact CG-CG2 4.17Å; E448-I492 HydrophobicContact CB-CD1 4.39Å; E448-I492 HydrophobicContact CB-CG2 4.38Å; E448-I492 HydrophobicContact CG-CD1 4.29Å; E448-I492 HydrophobicContact CG-CG1 4.2Å; E448-I492 HydrophobicContact CG-CG2 4.2Å; L451-I492 HydrophobicContact CD2-CD1 3.98Å; L490-I492 PolarHBondContact O-N 3.14Å; I492-S494 VanDerWaalsContact C-N 3.33Å; I492-S494 PolarHBondContact O-N 2.96Å; I492-L495 HydrophobicContact CD1-CD1 4.02Å; I492-L495 PolarHBondContact O-N 2.78Å; I492-L496 VanDerWaalsContact O-CB 3.26Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.11Å
493	P	95.5	Very high	95.2	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-52	-45.6	169.8	-30.7	34.5	0	0	0	114.4	A221 Y474 A478 L490 L496 I497	A221-P493 WeakPolarHBondContact O-CG 3.46Å; Y474-P493 HydrophobicContact CE1-CB 4.05Å; A478-P493 HydrophobicContact CB-CB 4.05Å; L490-P493 VanDerWaalsContact O-CD 3.26Å; L490-P493 WeakPolarHBondContact O-CD 3.22Å; P493-L496 PolarHBondContact O-N 3.03Å; P493-I497 WeakPolarHBondContact O-CD1 3.15Å; P493-I497 VanDerWaalsContact O-CG1 3.27Å; P493-I497 WeakPolarHBondContact O-CG1 3.32Å; P493-I497 PolarHBondContact O-N 2.83Å
494	S	96.3	Very high	95.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66	-44	177.9	-57.4	0	0	0	0	112.9	L490 F491 I492 L496 G498 Q531 I535	L490-S494 VanDerWaalsContact CD2-OG 3.22Å; L490-S494 WeakPolarHBondContact CD2-OG 3.31Å; L490-S494 PolarHBondContact O-N 3.5Å; L490-S494 PolarHBondContact O-OG 2.87Å; L490-S494 VanDerWaalsContact O-OG 3.14Å; F491-S494 PolarHBondContact O-N 3.37Å; I492-S494 VanDerWaalsContact C-N 3.33Å; I492-S494 PolarHBondContact O-N 2.96Å; S494-L496 VanDerWaalsContact C-N 3.28Å; S494-L496 PolarHBondContact O-N 3.44Å; S494-G498 PolarHBondContact O-N 2.9Å; S494-Q531 VanDerWaalsContact O-CG 3.31Å; S494-Q531 WeakPolarHBondContact O-CG 3.04Å; S494-I535 WeakPolarHBondContact OG-CD1 3.48Å
495	L	96.2	Very high	95.4	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-60.5	-39	175.1	-71.9	166.7	0	0	0	111.4	F338 L451 F491 I492 G498 A499 A528 L532 L546	F338-L495 HydrophobicContact CE1-CD1 4.31Å; F338-L495 HydrophobicContact CZ-CD1 4.06Å; L451-L495 HydrophobicContact CD1-CB 4.23Å; L451-L495 HydrophobicContact CD2-CB 3.68Å; L451-L495 HydrophobicContact CD2-CD1 4.15Å; F491-L495 VanDerWaalsContact O-CG 3.29Å; F491-L495 WeakPolarHBondContact O-CG 3.48Å; F491-L495 PolarHBondContact O-N 3.49Å; I492-L495 HydrophobicContact CD1-CD1 4.02Å; I492-L495 PolarHBondContact O-N 2.78Å; L495-G498 PolarHBondContact O-N 3.31Å; L495-A499 VanDerWaalsContact O-CB 3.25Å; L495-A499 WeakPolarHBondContact O-CB 3.47Å; L495-A499 PolarHBondContact O-N 2.85Å; L495-A528 HydrophobicContact CB-CB 4.36Å; L495-A528 HydrophobicContact CD2-CB 3.83Å; L495-A528 WeakPolarHBondContact O-CB 3.49Å; L495-L532 HydrophobicContact CD1-CD2 4.33Å; L495-L532 HydrophobicContact CD2-CB 4.22Å; L495-L532 HydrophobicContact CD2-CD2 3.73Å; L495-L532 HydrophobicContact CG-CD2 3.88Å; L495-L546 HydrophobicContact CD2-CD2 4.16Å
496	L	95.9	Very high	95.3	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-72	-40.2	-178	-175.5	58	0	0	0	112.7	P447 L451 L454 F470 Y474 I492 P493 S494 G500	P447-L496 HydrophobicContact CB-CD2 3.67Å; L451-L496 HydrophobicContact CB-CD1 4.13Å; L454-L496 HydrophobicContact CD1-CD1 3.68Å; F470-L496 HydrophobicContact CE1-CD1 4.23Å; F470-L496 HydrophobicContact CE1-CG 4.19Å; F470-L496 HydrophobicContact CZ-CD1 3.98Å; F470-L496 HydrophobicContact CZ-CD2 4.01Å; F470-L496 HydrophobicContact CZ-CG 3.81Å; Y474-L496 HydrophobicContact CE1-CB 4.47Å; Y474-L496 HydrophobicContact CE1-CD2 4Å; Y474-L496 HydrophobicContact CE1-CG 4.45Å; Y474-L496 HydrophobicContact CE2-CD2 4.01Å; I492-L496 VanDerWaalsContact O-CB 3.26Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.11Å; P493-L496 PolarHBondContact O-N 3.03Å; S494-L496 VanDerWaalsContact C-N 3.28Å; S494-L496 PolarHBondContact O-N 3.44Å; L496-G500 PolarHBondContact O-N 3.05Å
497	I	97.4	Very high	95.1	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-58.6	-49.4	170.1	-68.4	163.1	0	0	0	110	F369 Y474 Y475 A478 P493 G500 W501 Q531	F369-I497 HydrophobicContact CE2-CD1 4.44Å; Y474-I497 HydrophobicContact CD1-CD1 4.38Å; Y474-I497 HydrophobicContact CD1-CG1 3.83Å; Y474-I497 HydrophobicContact CE1-CG1 4.49Å; Y475-I497 HydrophobicContact CD2-CD1 4.21Å; Y475-I497 HydrophobicContact CD2-CG2 3.89Å; A478-I497 HydrophobicContact CB-CD1 4.06Å; P493-I497 WeakPolarHBondContact O-CD1 3.15Å; P493-I497 VanDerWaalsContact O-CG1 3.27Å; P493-I497 WeakPolarHBondContact O-CG1 3.32Å; P493-I497 PolarHBondContact O-N 2.83Å; I497-G500 PolarHBondContact O-N 2.74Å; I497-W501 VanDerWaalsContact O-CD1 3.23Å; I497-W501 PolarHBondContact O-N 3.46Å; I497-W501 VanDerWaalsContact O-N 3.17Å; I497-Q531 HydrophobicContact CB-CG 4.11Å; I497-Q531 HydrophobicContact CG2-CG 3.81Å
498	G	97.5	Very high	94.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.3	-38.5	-178.2	0	0	0	0	0	113.7	S494 L495 G500 G502 G527 A528 Q531	S494-G498 PolarHBondContact O-N 2.9Å; L495-G498 PolarHBondContact O-N 3.31Å; G498-G500 VanDerWaalsContact C-N 3.3Å; G498-G500 PolarHBondContact O-N 3.3Å; G498-G502 WeakPolarHBondContact O-CA 3.47Å; G498-G502 PolarHBondContact O-N 2.89Å; G498-G527 VanDerWaalsContact CA-O 3.27Å; G498-G527 WeakPolarHBondContact CA-O 3.09Å; G498-G527 CarbonylContact O-C 3.57Å; G498-G527 WeakPolarHBondContact O-CA 3.32Å; G498-A528 VanDerWaalsContact C-N 3.27Å; G498-A528 PolarHBondContact O-N 3.46Å; G498-Q531 VanDerWaalsContact CA-CB 3.47Å
499	A	96.4	Very high	94.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.9	-39.1	171.9	0	0	0	0	0	111.2	L451 L454 L495 R503 A524 A528	L451-A499 HydrophobicContact CD1-CB 3.53Å; L454-A499 HydrophobicContact CB-CB 4.17Å; L454-A499 HydrophobicContact CD1-CB 4.18Å; L495-A499 VanDerWaalsContact O-CB 3.25Å; L495-A499 WeakPolarHBondContact O-CB 3.47Å; L495-A499 PolarHBondContact O-N 2.85Å; A499-R503 WeakPolarHBondContact O-CB 3.42Å; A499-R503 PolarHBondContact O-N 3.22Å; A499-A524 WeakPolarHBondContact CA-O 3.4Å; A499-A524 HydrophobicContact CB-CB 4.44Å; A499-A528 HydrophobicContact CB-CB 4.23Å
500	G	96.1	Very high	94.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.4	-55.3	176.7	0	0	0	0	0	113	V471 L496 I497 G498 R503 I504	V471-G500 VanDerWaalsContact CG2-C 3.46Å; L496-G500 PolarHBondContact O-N 3.05Å; I497-G500 PolarHBondContact O-N 2.74Å; G498-G500 VanDerWaalsContact C-N 3.3Å; G498-G500 PolarHBondContact O-N 3.3Å; G500-R503 PolarHBondContact O-N 2.98Å; G500-I504 WeakPolarHBondContact O-CG1 3.29Å; G500-I504 PolarHBondContact O-N 3.03Å
501	W	97.2	Very high	94.5	Very high	27 Å²	27	15.6 Å²	15.6	10%	0.102	8%	0.081	C	C	.	.	H	α-helix	trans	-77.1	-28.9	179.5	68.9	-108.2	0	0	0	113.3	M358 I361 V471 I497 R503 I504 I505 A530 Q531	M358-W501 HydrophobicContact CB-CH2 4Å; M358-W501 HydrophobicContact CB-CZ3 3.93Å; M358-W501 HydrophobicContact CE-CE3 4.32Å; M358-W501 HydrophobicContact CE-CH2 4.4Å; M358-W501 HydrophobicContact CE-CZ3 3.67Å; M358-W501 HydrophobicContact CG-CZ3 3.99Å; M358-W501 WeakPolarHBondContact O-CH2 3.47Å; I361-W501 HydrophobicContact CB-CH2 4.26Å; I361-W501 HydrophobicContact CB-CZ3 4.4Å; I361-W501 HydrophobicContact CG2-CD2 4.45Å; I361-W501 HydrophobicContact CG2-CE3 4.27Å; I361-W501 HydrophobicContact CG2-CH2 4.1Å; I361-W501 HydrophobicContact CG2-CZ2 4.24Å; I361-W501 HydrophobicContact CG2-CZ3 4.1Å; V471-W501 HydrophobicContact CG1-CB 4.36Å; V471-W501 HydrophobicContact CG2-CB 4.37Å; I497-W501 VanDerWaalsContact O-CD1 3.23Å; I497-W501 PolarHBondContact O-N 3.46Å; I497-W501 VanDerWaalsContact O-N 3.17Å; W501-R503 VanDerWaalsContact C-N 3.28Å; W501-R503 PolarHBondContact O-N 3.04Å; W501-I504 WeakPolarHBondContact O-CB 3.35Å; W501-I504 PolarHBondContact O-N 2.93Å; W501-I505 HydrophobicContact CE3-CD1 3.78Å; W501-I505 HydrophobicContact CZ3-CD1 3.84Å; W501-I505 PolarHBondContact O-N 3.39Å; W501-A530 HydrophobicContact CH2-CB 3.87Å; W501-A530 HydrophobicContact CZ2-CB 4.05Å; W501-Q531 HydrophobicContact CZ2-CB 4.34Å
502	G	96.4	Very high	94.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-39.6	169.5	0	0	0	0	0	111.8	G498 I505 G506 F523	G498-G502 WeakPolarHBondContact O-CA 3.47Å; G498-G502 PolarHBondContact O-N 2.89Å; G502-I505 PolarHBondContact O-N 2.91Å; G502-G506 PolarHBondContact O-N 3.22Å; G502-F523 WeakPolarHBondContact CA-O 3.26Å; G502-F523 CarbonylContact O-C 3.48Å; G502-F523 VanDerWaalsContact O-CB 3.28Å; G502-F523 WeakPolarHBondContact O-CB 3.39Å
503	R	94.7	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-32.7	174	-165.5	69.6	-173.1	-129.7	-0.9	112.9	L454 D457 P458 L467 A499 G500 W501 G506 N507 A524	L454-R503 HydrophobicContact CD2-CB 4.43Å; L454-R503 HydrophobicContact CD2-CG 4.38Å; L454-R503 WeakPolarHBondContact O-CD 3.46Å; L454-R503 PolarHBondContact O-NH1 3.19Å; D457-R503 PolarHBondContact O-NH1 3.47Å; D457-R503 PolarHBondContact O-NH2 3.44Å; P458-R503 VanDerWaalsContact C-NH2 3.33Å; P458-R503 PolarHBondContact O-NH2 2.86Å; L467-R503 HydrophobicContact CD1-CB 4.2Å; L467-R503 HydrophobicContact CD1-CG 3.98Å; A499-R503 WeakPolarHBondContact O-CB 3.42Å; A499-R503 PolarHBondContact O-N 3.22Å; G500-R503 PolarHBondContact O-N 2.98Å; W501-R503 VanDerWaalsContact C-N 3.28Å; W501-R503 PolarHBondContact O-N 3.04Å; R503-G506 PolarHBondContact O-N 3.48Å; R503-N507 PolarHBondContact NE-OD1 2.7Å; R503-N507 WeakPolarHBondContact O-CB 3.16Å; R503-N507 VanDerWaalsContact O-CG 3.29Å; R503-N507 PolarHBondContact O-N 3.14Å; R503-N507 PolarHBondContact O-OD1 2.79Å; R503-A524 HydrophobicContact CB-CB 4.12Å
504	I	95.5	Very high	93.5	Very high	24 Å²	24	26.4 Å²	26.4	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-49.6	170.7	-65.9	169	0	0	0	110.2	I464 L467 G500 W501 N507 L508	I464-I504 HydrophobicContact CG2-CG2 4.1Å; L467-I504 HydrophobicContact CB-CD1 3.84Å; L467-I504 HydrophobicContact CB-CG1 3.47Å; L467-I504 VanDerWaalsContact CB-CG1 3.47Å; L467-I504 HydrophobicContact CD1-CG1 3.96Å; L467-I504 HydrophobicContact CG-CG1 4.36Å; G500-I504 WeakPolarHBondContact O-CG1 3.29Å; G500-I504 PolarHBondContact O-N 3.03Å; W501-I504 WeakPolarHBondContact O-CB 3.35Å; W501-I504 PolarHBondContact O-N 2.93Å; I504-N507 PolarHBondContact O-N 2.75Å; I504-L508 HydrophobicContact CG2-CD1 3.95Å; I504-L508 WeakPolarHBondContact O-CB 3.26Å; I504-L508 WeakPolarHBondContact O-CG 3.26Å; I504-L508 PolarHBondContact O-N 3.48Å
505	I	94.7	Very high	92.8	Very high	37 Å²	37	33 Å²	33	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-43.9	178	-66.4	177.8	0	0	0	110.7	M358 I361 W501 G502 N507 L508 M509 F523	M358-I505 HydrophobicContact CE-CB 4.38Å; M358-I505 HydrophobicContact CE-CD1 4.3Å; M358-I505 HydrophobicContact CE-CG2 4.46Å; M358-I505 HydrophobicContact CG-CD1 3.97Å; M358-I505 HydrophobicContact SD-CG2 4.17Å; I361-I505 HydrophobicContact CD1-CD1 4.16Å; W501-I505 HydrophobicContact CE3-CD1 3.78Å; W501-I505 HydrophobicContact CZ3-CD1 3.84Å; W501-I505 PolarHBondContact O-N 3.39Å; G502-I505 PolarHBondContact O-N 2.91Å; I505-N507 PolarHBondContact O-N 3.08Å; I505-L508 PolarHBondContact O-N 2.95Å; I505-M509 HydrophobicContact CG2-CG 4.32Å; I505-M509 WeakPolarHBondContact O-CG 3.44Å; I505-M509 PolarHBondContact O-N 3.44Å; I505-F523 HydrophobicContact CG2-CD1 4.22Å
506	G	92.8	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-47.8	175.6	0	0	0	0	0	113.1	G502 R503 L508 M509 H510 P520	G502-G506 PolarHBondContact O-N 3.22Å; R503-G506 PolarHBondContact O-N 3.48Å; G506-L508 VanDerWaalsContact C-N 3.33Å; G506-L508 PolarHBondContact O-N 2.92Å; G506-M509 PolarHBondContact O-N 3.42Å; G506-H510 WeakPolarHBondContact O-CB 3.4Å; G506-H510 PolarHBondContact O-N 3.29Å; G506-P520 VanDerWaalsContact C-CB 3.46Å
507	N	92.4	Very high	91.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-39.7	176.6	-74.3	5.1	0	0	0	111.3	Y462 R503 I504 I505 H510 T511 P520	Y462-N507 PolarHBondContact O-ND2 2.9Å; R503-N507 PolarHBondContact NE-OD1 2.7Å; R503-N507 WeakPolarHBondContact O-CB 3.16Å; R503-N507 VanDerWaalsContact O-CG 3.29Å; R503-N507 PolarHBondContact O-N 3.14Å; R503-N507 PolarHBondContact O-OD1 2.79Å; I504-N507 PolarHBondContact O-N 2.75Å; I505-N507 PolarHBondContact O-N 3.08Å; N507-H510 PolarHBondContact O-N 3.33Å; N507-T511 WeakPolarHBondContact O-CG2 3.36Å; N507-T511 PolarHBondContact O-N 3.44Å; N507-T511 PolarHBondContact O-OG1 2.68Å; N507-P520 WeakPolarHBondContact OD1-CB 3.23Å
508	L	92.6	Very high	90.3	Very high	76 Å²	76	42.2 Å²	42.2	40%	0.398	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-46.7	175.3	-75.4	167.5	0	0	0	111.9	I464 I504 I505 G506 H510 T511 V512	I464-L508 HydrophobicContact CD1-CD2 3.8Å; I464-L508 HydrophobicContact CD1-CG 4.14Å; I504-L508 HydrophobicContact CG2-CD1 3.95Å; I504-L508 WeakPolarHBondContact O-CB 3.26Å; I504-L508 WeakPolarHBondContact O-CG 3.26Å; I504-L508 PolarHBondContact O-N 3.48Å; I505-L508 PolarHBondContact O-N 2.95Å; G506-L508 VanDerWaalsContact C-N 3.33Å; G506-L508 PolarHBondContact O-N 2.92Å; L508-H510 VanDerWaalsContact C-N 3.34Å; L508-H510 PolarHBondContact O-N 3.23Å; L508-T511 WeakPolarHBondContact CA-OG1 3.39Å; L508-T511 PolarHBondContact O-N 3.49Å; L508-T511 PolarHBondContact O-OG1 3.09Å; L508-V512 WeakPolarHBondContact O-CG2 3.42Å; L508-V512 PolarHBondContact O-N 2.69Å; L508-V512 VanDerWaalsContact O-N 3.13Å
509	M	90.6	Very high	89.8	Confident	42 Å²	42	43.7 Å²	43.7	21%	0.207	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176.3	-65.3	-60.5	93.1	0	0	111.5	M354 I505 G506 T511 V512 D513 F517 F523	M354-M509 HydrophobicContact SD-SD 4.34Å; I505-M509 HydrophobicContact CG2-CG 4.32Å; I505-M509 WeakPolarHBondContact O-CG 3.44Å; I505-M509 PolarHBondContact O-N 3.44Å; G506-M509 PolarHBondContact O-N 3.42Å; M509-T511 VanDerWaalsContact C-N 3.3Å; M509-T511 PolarHBondContact O-N 2.81Å; M509-V512 PolarHBondContact O-N 3.39Å; M509-D513 PolarHBondContact O-N 3.41Å; M509-F517 HydrophobicContact CB-CB 3.85Å; M509-F517 HydrophobicContact CB-CD1 4.21Å; M509-F517 HydrophobicContact CB-CD2 3.84Å; M509-F517 HydrophobicContact CB-CE2 4.45Å; M509-F517 HydrophobicContact CB-CG 3.7Å; M509-F517 HydrophobicContact SD-CE2 4.49Å; M509-F523 HydrophobicContact CB-CZ 4.44Å; M509-F523 HydrophobicContact CG-CE1 4.25Å; M509-F523 HydrophobicContact CG-CZ 4.31Å
510	H	90.2	Very high	89.4	Confident	32 Å²	32	43.7 Å²	43.7	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-35.6	174.2	-170.2	75.6	0	0	0	113.1	G506 N507 L508 V512 D513 P514 F517 S518	G506-H510 WeakPolarHBondContact O-CB 3.4Å; G506-H510 PolarHBondContact O-N 3.29Å; N507-H510 PolarHBondContact O-N 3.33Å; L508-H510 VanDerWaalsContact C-N 3.34Å; L508-H510 PolarHBondContact O-N 3.23Å; H510-V512 VanDerWaalsContact C-N 3.34Å; H510-D513 CarbonylContact O-C 3.59Å; H510-P514 WeakPolarHBondContact O-CA 3.36Å; H510-P514 WeakPolarHBondContact O-CB 3.35Å; H510-P514 WeakPolarHBondContact O-CD 3.05Å; H510-F517 WeakPolarHBondContact CB-O 3.3Å; H510-F517 PolarHBondContact ND1-O 2.83Å; H510-S518 PolarHBondContact ND1-O 3.24Å
511	T	89.3	Confident	89.1	Confident	80 Å²	80	43.7 Å²	43.7	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-75.7	-17.6	174.3	53.7	0	0	0	0	114.5	M460 N507 L508 M509	M460-T511 HydrophobicContact CE-CG2 4.31Å; M460-T511 HydrophobicContact SD-CG2 4.09Å; N507-T511 WeakPolarHBondContact O-CG2 3.36Å; N507-T511 PolarHBondContact O-N 3.44Å; N507-T511 PolarHBondContact O-OG1 2.68Å; L508-T511 WeakPolarHBondContact CA-OG1 3.39Å; L508-T511 PolarHBondContact O-N 3.49Å; L508-T511 PolarHBondContact O-OG1 3.09Å; M509-T511 VanDerWaalsContact C-N 3.3Å; M509-T511 PolarHBondContact O-N 2.81Å
512	V	90	Very high	88.7	Confident	113 Å²	113	43.4 Å²	43.4	69%	0.685	24%	0.238	S	C	*	.	H	α-helix	trans	-86.9	-46.5	175	171.2	0	0	0	0	110.8	L508 M509 H510	L508-V512 WeakPolarHBondContact O-CG2 3.42Å; L508-V512 PolarHBondContact O-N 2.69Å; L508-V512 VanDerWaalsContact O-N 3.13Å; M509-V512 PolarHBondContact O-N 3.39Å; H510-V512 VanDerWaalsContact C-N 3.34Å
513	D	88.2	Confident	88.6	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.251	24%	0.239	S	C	.	.			trans	-145.9	97.5	175.5	-169.5	-37.1	0	0	0	110.7	M509 H510 I515 H516 F517	M509-D513 PolarHBondContact O-N 3.41Å; H510-D513 CarbonylContact O-C 3.59Å; D513-I515 PolarHBondContact O-N 3Å; D513-I515 WeakPolarHBondContact OD1-CA 3.33Å; D513-I515 WeakPolarHBondContact OD1-CB 3.05Å; D513-I515 PolarHBondContact OD1-N 3.47Å; D513-H516 HydrophobicContact CB-CB 4.46Å; D513-H516 VanDerWaalsContact CG-ND1 3.29Å; D513-H516 IonicContact OD1-CG 3.85Å; D513-H516 PolarHBondContact OD1-N 3.46Å; D513-H516 IonicContact OD1-ND1 3.35Å; D513-H516 PolarHBondContact OD1-ND1 3.04Å; D513-H516 IonicContact OD2-CE1 3.69Å; D513-H516 IonicContact OD2-CG 3.69Å; D513-H516 IonicContact OD2-ND1 2.73Å; D513-H516 PolarHBondContact OD2-ND1 3.38Å; D513-F517 HydrophobicContact CB-CD2 4.02Å; D513-F517 HydrophobicContact CB-CE2 4.38Å; D513-F517 WeakPolarHBondContact O-CB 3.4Å; D513-F517 PolarHBondContact O-N 3Å
514	P	84	Confident	88.6	Confident	71 Å²	71	43.5 Å²	43.5	46%	0.461	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.5	-179.1	29.9	-35.1	0	0	0	113.5	H510	H510-P514 WeakPolarHBondContact O-CA 3.36Å; H510-P514 WeakPolarHBondContact O-CB 3.35Å; H510-P514 WeakPolarHBondContact O-CD 3.05Å
515	I	81.9	Confident	88.5	Confident	140 Å²	140	42.5 Å²	42.5	72%	0.718	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-50.7	178.2	-56.1	176.4	0	0	0	108.8	D513	D513-I515 PolarHBondContact O-N 3Å; D513-I515 WeakPolarHBondContact OD1-CA 3.33Å; D513-I515 WeakPolarHBondContact OD1-CB 3.05Å; D513-I515 PolarHBondContact OD1-N 3.47Å
516	H	80.5	Confident	88.5	Confident	97 Å²	97	41 Å²	41	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-34.2	-179.2	-67	108.2	0	0	0	112.8	Y350 D513	Y350-H516 HydrophobicContact CE2-CB 4.32Å; Y350-H516 WeakPolarHBondContact OH-CB 3.06Å; Y350-H516 PolarHBondContact OH-CD2 2.96Å; Y350-H516 VanDerWaalsContact OH-CD2 3.29Å; D513-H516 HydrophobicContact CB-CB 4.46Å; D513-H516 VanDerWaalsContact CG-ND1 3.29Å; D513-H516 IonicContact OD1-CG 3.85Å; D513-H516 PolarHBondContact OD1-N 3.46Å; D513-H516 IonicContact OD1-ND1 3.35Å; D513-H516 PolarHBondContact OD1-ND1 3.04Å; D513-H516 IonicContact OD2-CE1 3.69Å; D513-H516 IonicContact OD2-CG 3.69Å; D513-H516 IonicContact OD2-ND1 2.73Å; D513-H516 PolarHBondContact OD2-ND1 3.38Å
517	F	80.8	Confident	88.7	Confident	28 Å²	28	41 Å²	41	12%	0.123	23%	0.226	C	C	.	.	S	Bend	trans	-110.8	55.4	179.5	-54.1	-66.8	0	0	0	111.9	Y350 E351 M509 H510 D513 D519 F523	Y350-F517 AromaticContact CD2-CE1 3.87Å; Y350-F517 HydrophobicContact CD2-CE1 3.87Å; Y350-F517 AromaticContact CD2-CZ 3.86Å; Y350-F517 HydrophobicContact CD2-CZ 3.86Å; Y350-F517 HydrophobicContact CE2-CD1 4.44Å; Y350-F517 AromaticContact CE2-CE1 3.62Å; Y350-F517 HydrophobicContact CE2-CE1 3.62Å; Y350-F517 AromaticContact CE2-CZ 3.79Å; Y350-F517 HydrophobicContact CE2-CZ 3.79Å; E351-F517 HydrophobicContact CG-CD1 4.48Å; E351-F517 HydrophobicContact CG-CE1 4.05Å; M509-F517 HydrophobicContact CB-CB 3.85Å; M509-F517 HydrophobicContact CB-CD1 4.21Å; M509-F517 HydrophobicContact CB-CD2 3.84Å; M509-F517 HydrophobicContact CB-CE2 4.45Å; M509-F517 HydrophobicContact CB-CG 3.7Å; M509-F517 HydrophobicContact SD-CE2 4.49Å; H510-F517 WeakPolarHBondContact CB-O 3.3Å; H510-F517 PolarHBondContact ND1-O 2.83Å; D513-F517 HydrophobicContact CB-CD2 4.02Å; D513-F517 HydrophobicContact CB-CE2 4.38Å; D513-F517 WeakPolarHBondContact O-CB 3.4Å; D513-F517 PolarHBondContact O-N 3Å; F517-D519 PolarHBondContact O-N 2.89Å; F517-F523 HydrophobicContact CD1-CE2 4.06Å; F517-F523 AromaticContact CD1-CZ 3.68Å; F517-F523 HydrophobicContact CD1-CZ 3.68Å; F517-F523 HydrophobicContact CE1-CZ 4.1Å
518	S	75.4	Confident	88.9	Confident	71 Å²	71	41 Å²	41	50%	0.497	23%	0.226	S	C	.	.			trans	-65.3	-31	-174.7	56.2	0	0	0	0	115	H510	H510-S518 PolarHBondContact ND1-O 3.24Å
519	D	85.4	Confident	89.1	Confident	32 Å²	32	37.4 Å²	37.4	17%	0.171	21%	0.207	C	C	.	.			trans	-118.5	104.9	-177	178.2	22.9	0	0	0	113.6	S343 F517 G521 K522	S343-D519 VanDerWaalsContact CB-OD2 3.22Å; S343-D519 WeakPolarHBondContact CB-OD2 2.99Å; S343-D519 PolarHBondContact OG-OD2 2.77Å; F517-D519 PolarHBondContact O-N 2.89Å; D519-G521 PolarHBondContact O-N 3.1Å; D519-G521 WeakPolarHBondContact OD1-CA 3.4Å; D519-G521 PolarHBondContact OD1-N 3.42Å; D519-K522 HydrophobicContact CB-CG 4.04Å; D519-K522 WeakPolarHBondContact OD2-CG 3.34Å
520	P	89.6	Confident	89.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-72.4	-10.7	173.4	31	-36.9	0	0	0	114.3	P459 G506 N507 K522 F523 A524	P459-P520 HydrophobicContact CB-CG 4Å; G506-P520 VanDerWaalsContact C-CB 3.46Å; N507-P520 WeakPolarHBondContact OD1-CB 3.23Å; P520-K522 VanDerWaalsContact C-N 3.33Å; P520-F523 PolarHBondContact O-N 3.42Å; P520-A524 PolarHBondContact O-N 3.32Å; P520-A524 VanDerWaalsContact O-N 3.1Å
521	G	88.9	Confident	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-34.6	172.6	0	0	0	0	0	113	D519 F523 A524 L525	D519-G521 PolarHBondContact O-N 3.1Å; D519-G521 WeakPolarHBondContact OD1-CA 3.4Å; D519-G521 PolarHBondContact OD1-N 3.42Å; G521-F523 VanDerWaalsContact C-N 3.33Å; G521-F523 PolarHBondContact O-N 3.01Å; G521-A524 WeakPolarHBondContact O-CB 3.49Å; G521-A524 PolarHBondContact O-N 2.84Å; G521-L525 PolarHBondContact O-N 2.84Å
522	K	89.9	Confident	90.1	Very high	21 Å²	21	30.1 Å²	30.1	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-55.2	-48.6	171.9	-50.6	-165.3	176.1	-176.5	0	111.7	S343 L344 D346 D519 P520 L525 I526	S343-K522 WeakPolarHBondContact O-CE 3.32Å; S343-K522 PolarHBondContact O-NZ 2.88Å; L344-K522 HydrophobicContact CD2-CB 3.91Å; L344-K522 HydrophobicContact CD2-CD 3.81Å; L344-K522 HydrophobicContact CD2-CG 3.53Å; L344-K522 HydrophobicContact CG-CG 4.45Å; D346-K522 PolarHBondContact O-NZ 3.08Å; D519-K522 HydrophobicContact CB-CG 4.04Å; D519-K522 WeakPolarHBondContact OD2-CG 3.34Å; P520-K522 VanDerWaalsContact C-N 3.33Å; K522-L525 WeakPolarHBondContact O-CB 3.49Å; K522-L525 PolarHBondContact O-N 2.84Å; K522-I526 WeakPolarHBondContact O-CG1 3.3Å; K522-I526 PolarHBondContact O-N 2.71Å
523	F	93	Very high	90.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-34.9	-180	-65	-91.2	0	0	0	111.7	M354 F355 M358 G502 I505 M509 F517 P520 G521 L525 I526 G527	M354-F523 HydrophobicContact CB-CE1 4.14Å; F355-F523 HydrophobicContact CD1-CE1 4.44Å; F355-F523 HydrophobicContact CE1-CD1 4.18Å; F355-F523 AromaticContact CE1-CE1 3.95Å; F355-F523 HydrophobicContact CE1-CE1 3.95Å; F355-F523 HydrophobicContact CE1-CZ 4.38Å; M358-F523 HydrophobicContact CE-CB 4.23Å; M358-F523 HydrophobicContact CE-CD1 4.46Å; M358-F523 VanDerWaalsContact CE-O 3.26Å; M358-F523 WeakPolarHBondContact CE-O 3.49Å; M358-F523 HydrophobicContact SD-CD1 3.79Å; G502-F523 WeakPolarHBondContact CA-O 3.26Å; G502-F523 CarbonylContact O-C 3.48Å; G502-F523 VanDerWaalsContact O-CB 3.28Å; G502-F523 WeakPolarHBondContact O-CB 3.39Å; I505-F523 HydrophobicContact CG2-CD1 4.22Å; M509-F523 HydrophobicContact CB-CZ 4.44Å; M509-F523 HydrophobicContact CG-CE1 4.25Å; M509-F523 HydrophobicContact CG-CZ 4.31Å; F517-F523 HydrophobicContact CD1-CE2 4.06Å; F517-F523 AromaticContact CD1-CZ 3.68Å; F517-F523 HydrophobicContact CD1-CZ 3.68Å; F517-F523 HydrophobicContact CE1-CZ 4.1Å; P520-F523 PolarHBondContact O-N 3.42Å; G521-F523 VanDerWaalsContact C-N 3.33Å; G521-F523 PolarHBondContact O-N 3.01Å; F523-L525 PolarHBondContact O-N 2.95Å; F523-I526 PolarHBondContact O-N 3.02Å; F523-G527 PolarHBondContact O-N 3.36Å
524	A	94.6	Very high	90.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-42.9	170.8	0	0	0	0	0	112.1	L455 A499 R503 P520 G521 A528	L455-A524 HydrophobicContact CD2-CB 4.12Å; A499-A524 WeakPolarHBondContact CA-O 3.4Å; A499-A524 HydrophobicContact CB-CB 4.44Å; R503-A524 HydrophobicContact CB-CB 4.12Å; P520-A524 PolarHBondContact O-N 3.32Å; P520-A524 VanDerWaalsContact O-N 3.1Å; G521-A524 WeakPolarHBondContact O-CB 3.49Å; G521-A524 PolarHBondContact O-N 2.84Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.28Å
525	L	93.9	Very high	91.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-46.5	175.8	178.5	66	0	0	0	112.4	L344 L455 G521 K522 F523 A528 A529 T550	L344-L525 HydrophobicContact CD1-CD2 3.55Å; L455-L525 HydrophobicContact CD2-CB 3.87Å; L455-L525 HydrophobicContact CD2-CD1 4.42Å; G521-L525 PolarHBondContact O-N 2.84Å; K522-L525 WeakPolarHBondContact O-CB 3.49Å; K522-L525 PolarHBondContact O-N 2.84Å; F523-L525 PolarHBondContact O-N 2.95Å; L525-A528 WeakPolarHBondContact O-CB 3.44Å; L525-A528 PolarHBondContact O-N 2.98Å; L525-A529 PolarHBondContact O-N 2.94Å; L525-T550 HydrophobicContact CD1-CG2 3.87Å; L525-T550 HydrophobicContact CD2-CG2 3.72Å; L525-T550 HydrophobicContact CG-CG2 4.47Å
526	I	95.2	Very high	92	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-39	179.1	-64.8	-64.4	0	0	0	111.4	F355 M358 K522 F523 A529 A530 P558 L559 T562	F355-I526 HydrophobicContact CB-CG2 3.96Å; F355-I526 HydrophobicContact CD1-CB 4.16Å; F355-I526 HydrophobicContact CD1-CG1 3.82Å; F355-I526 HydrophobicContact CD1-CG2 3.78Å; F355-I526 HydrophobicContact CE1-CG1 3.88Å; F355-I526 HydrophobicContact CG-CD1 4.43Å; F355-I526 HydrophobicContact CG-CG1 4.18Å; F355-I526 HydrophobicContact CG-CG2 4.05Å; F355-I526 HydrophobicContact CZ-CG1 4.29Å; M358-I526 HydrophobicContact CB-CG2 4.26Å; M358-I526 HydrophobicContact CE-CB 4.5Å; M358-I526 HydrophobicContact CE-CG2 4.37Å; M358-I526 HydrophobicContact SD-CG2 4.05Å; K522-I526 WeakPolarHBondContact O-CG1 3.3Å; K522-I526 PolarHBondContact O-N 2.71Å; F523-I526 PolarHBondContact O-N 3.02Å; I526-A529 PolarHBondContact O-N 3.04Å; I526-A530 WeakPolarHBondContact O-CB 3.49Å; I526-A530 PolarHBondContact O-N 3.21Å; I526-P558 HydrophobicContact CD1-CB 3.99Å; I526-L559 HydrophobicContact CD1-CD2 4.07Å; I526-L559 HydrophobicContact CD1-CG 4.42Å; I526-T562 HydrophobicContact CG2-CG2 3.87Å
527	G	96.8	Very high	92.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-41.9	173.5	0	0	0	0	0	112.7	G498 F523 A529 A530 Q531	G498-G527 VanDerWaalsContact CA-O 3.27Å; G498-G527 WeakPolarHBondContact CA-O 3.09Å; G498-G527 CarbonylContact O-C 3.57Å; G498-G527 WeakPolarHBondContact O-CA 3.32Å; F523-G527 PolarHBondContact O-N 3.36Å; G527-A529 VanDerWaalsContact C-N 3.34Å; G527-A529 PolarHBondContact O-N 3.08Å; G527-A530 PolarHBondContact O-N 3.04Å; G527-Q531 WeakPolarHBondContact O-CB 3.41Å; G527-Q531 PolarHBondContact O-N 3.01Å
528	A	96.5	Very high	93.1	Very high	2 Å²	2	7.6 Å²	7.6	2%	0.017	4%	0.044	C	C	.	.	H	α-helix	trans	-58.7	-45.4	173.6	0	0	0	0	0	111.6	L495 G498 A499 A524 L525 L532	L495-A528 HydrophobicContact CB-CB 4.36Å; L495-A528 HydrophobicContact CD2-CB 3.83Å; L495-A528 WeakPolarHBondContact O-CB 3.49Å; G498-A528 VanDerWaalsContact C-N 3.27Å; G498-A528 PolarHBondContact O-N 3.46Å; A499-A528 HydrophobicContact CB-CB 4.23Å; A524-A528 WeakPolarHBondContact O-CB 3.44Å; A524-A528 PolarHBondContact O-N 3.28Å; L525-A528 WeakPolarHBondContact O-CB 3.44Å; L525-A528 PolarHBondContact O-N 2.98Å; A528-L532 WeakPolarHBondContact O-CB 3.42Å; A528-L532 PolarHBondContact O-N 2.94Å; A528-L532 VanDerWaalsContact O-N 3.1Å
529	A	96.6	Very high	93.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.2	-51.9	174.5	0	0	0	0	0	111.8	L525 I526 G527 Q531 L532 G533 L546 L559 L563	L525-A529 PolarHBondContact O-N 2.94Å; I526-A529 PolarHBondContact O-N 3.04Å; G527-A529 VanDerWaalsContact C-N 3.34Å; G527-A529 PolarHBondContact O-N 3.08Å; A529-Q531 PolarHBondContact O-N 2.98Å; A529-L532 PolarHBondContact O-N 2.94Å; A529-G533 PolarHBondContact O-N 2.92Å; A529-L546 HydrophobicContact CB-CD1 3.56Å; A529-L559 HydrophobicContact CB-CD2 3.49Å; A529-L559 VanDerWaalsContact CB-CD2 3.49Å; A529-L563 HydrophobicContact CB-CD2 4.32Å; A529-L563 WeakPolarHBondContact O-CD2 3.42Å
530	A	97.8	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.6	-45.2	-179	0	0	0	0	0	112.4	M358 G362 W501 I526 G527 G534 T562	M358-A530 WeakPolarHBondContact O-CB 3.23Å; G362-A530 CarbonylContact C-O 3.58Å; W501-A530 HydrophobicContact CH2-CB 3.87Å; W501-A530 HydrophobicContact CZ2-CB 4.05Å; I526-A530 WeakPolarHBondContact O-CB 3.49Å; I526-A530 PolarHBondContact O-N 3.21Å; G527-A530 PolarHBondContact O-N 3.04Å; A530-G534 PolarHBondContact O-N 3.5Å; A530-T562 HydrophobicContact CB-CG2 3.64Å
531	Q	97.9	Very high	94.4	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-66.7	-43.3	179.9	-173	67.2	82.7	0	0	112.4	S365 S494 I497 G498 W501 G527 A529 I535	S365-Q531 PolarHBondContact OG-NE2 2.72Å; S365-Q531 PolarHBondContact OG-OE1 3.22Å; S494-Q531 VanDerWaalsContact O-CG 3.31Å; S494-Q531 WeakPolarHBondContact O-CG 3.04Å; I497-Q531 HydrophobicContact CB-CG 4.11Å; I497-Q531 HydrophobicContact CG2-CG 3.81Å; G498-Q531 VanDerWaalsContact CA-CB 3.47Å; W501-Q531 HydrophobicContact CZ2-CB 4.34Å; G527-Q531 WeakPolarHBondContact O-CB 3.41Å; G527-Q531 PolarHBondContact O-N 3.01Å; A529-Q531 PolarHBondContact O-N 2.98Å; Q531-I535 HydrophobicContact CG-CD1 4.26Å; Q531-I535 WeakPolarHBondContact O-CD1 3.4Å; Q531-I535 WeakPolarHBondContact O-CG1 3.43Å; Q531-I535 PolarHBondContact O-N 2.77Å
532	L	96.3	Very high	94.6	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-67	-49.1	177.5	176	59.4	0	0	0	110.6	F491 L495 A528 A529 G534 I535 V536 L542	F491-L532 HydrophobicContact CD1-CD1 3.67Å; F491-L532 HydrophobicContact CD1-CD2 3.7Å; F491-L532 HydrophobicContact CD1-CG 4.29Å; F491-L532 HydrophobicContact CE1-CD1 4.11Å; F491-L532 HydrophobicContact CE1-CD2 4.16Å; F491-L532 HydrophobicContact CG-CD1 4.47Å; L495-L532 HydrophobicContact CD1-CD2 4.33Å; L495-L532 HydrophobicContact CD2-CB 4.22Å; L495-L532 HydrophobicContact CD2-CD2 3.73Å; L495-L532 HydrophobicContact CG-CD2 3.88Å; A528-L532 WeakPolarHBondContact O-CB 3.42Å; A528-L532 PolarHBondContact O-N 2.94Å; A528-L532 VanDerWaalsContact O-N 3.1Å; A529-L532 PolarHBondContact O-N 2.94Å; L532-G534 VanDerWaalsContact C-N 3.32Å; L532-G534 PolarHBondContact O-N 3.47Å; L532-I535 PolarHBondContact O-N 3.06Å; L532-V536 HydrophobicContact CD1-CG1 3.83Å; L532-V536 HydrophobicContact CD1-CG2 3.92Å; L532-V536 HydrophobicContact CG-CG2 4.14Å; L532-V536 WeakPolarHBondContact O-CG2 3.44Å; L532-V536 PolarHBondContact O-N 3.37Å; L532-L542 HydrophobicContact CB-CD2 4.43Å; L532-L542 HydrophobicContact CD2-CD1 3.52Å; L532-L542 HydrophobicContact CD2-CD2 3.95Å; L532-L542 HydrophobicContact CD2-CG 4.4Å; L532-L542 HydrophobicContact CG-CD1 4.32Å; L532-L542 HydrophobicContact CG-CD2 3.82Å
533	G	95.9	Very high	94.9	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-54.6	-45.4	175.9	0	0	0	0	0	112.5	A529 I535 R537	A529-G533 PolarHBondContact O-N 2.92Å; G533-I535 PolarHBondContact O-N 2.75Å; G533-R537 VanDerWaalsContact O-CA 3.26Å; G533-R537 WeakPolarHBondContact O-CA 3.4Å; G533-R537 WeakPolarHBondContact O-CD 3.09Å; G533-R537 PolarHBondContact O-N 2.98Å
534	G	96.6	Very high	95	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-14	175.8	0	0	0	0	0	115.5	G366 A530 L532 R537	G366-G534 CarbonylContact C-O 3.56Å; G366-G534 VanDerWaalsContact C-O 3.27Å; G366-G534 WeakPolarHBondContact CA-O 3.25Å; A530-G534 PolarHBondContact O-N 3.5Å; L532-G534 VanDerWaalsContact C-N 3.32Å; L532-G534 PolarHBondContact O-N 3.47Å; G534-R537 PolarHBondContact O-NE 3.25Å; G534-R537 PolarHBondContact O-NH2 3.41Å
535	I	96.6	Very high	95	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-102.8	-45.6	176.2	-63.7	167.4	0	0	0	112.1	G366 F369 V370 L490 S494 Q531 L532 G533 I577	G366-I535 VanDerWaalsContact CA-CG1 3.45Å; F369-I535 HydrophobicContact CB-CD1 4.23Å; F369-I535 HydrophobicContact CB-CG1 4.27Å; F369-I535 HydrophobicContact CD1-CD1 4.04Å; F369-I535 HydrophobicContact CD1-CG1 4.33Å; F369-I535 HydrophobicContact CD1-CG2 4.19Å; F369-I535 HydrophobicContact CG-CD1 4.02Å; F369-I535 HydrophobicContact CG-CG1 4.44Å; V370-I535 HydrophobicContact CG2-CG2 4.16Å; L490-I535 HydrophobicContact CD2-CG2 3.5Å; S494-I535 WeakPolarHBondContact OG-CD1 3.48Å; Q531-I535 HydrophobicContact CG-CD1 4.26Å; Q531-I535 WeakPolarHBondContact O-CD1 3.4Å; Q531-I535 WeakPolarHBondContact O-CG1 3.43Å; Q531-I535 PolarHBondContact O-N 2.77Å; L532-I535 PolarHBondContact O-N 3.06Å; G533-I535 PolarHBondContact O-N 2.75Å; I535-I577 HydrophobicContact CG2-CB 3.87Å; I535-I577 HydrophobicContact CG2-CD1 4.08Å; I535-I577 HydrophobicContact CG2-CG2 3.89Å; I535-I577 PolarHBondContact O-N 3.33Å
536	V	93.8	Very high	94.9	Very high	4 Å²	4	10 Å²	10	2%	0.024	6%	0.055	C	C	.	.	H	α-helix	trans	-93.6	-17.9	-176.4	-56.9	0	0	0	0	114.4	L532 M538 L542 I577 Y578	L532-V536 HydrophobicContact CD1-CG1 3.83Å; L532-V536 HydrophobicContact CD1-CG2 3.92Å; L532-V536 HydrophobicContact CG-CG2 4.14Å; L532-V536 WeakPolarHBondContact O-CG2 3.44Å; L532-V536 PolarHBondContact O-N 3.37Å; V536-M538 HydrophobicContact CB-CG 4.15Å; V536-M538 HydrophobicContact CB-SD 4.39Å; V536-M538 HydrophobicContact CG2-CB 4.13Å; V536-M538 HydrophobicContact CG2-CG 3.8Å; V536-M538 HydrophobicContact CG2-SD 4.12Å; V536-M538 PolarHBondContact O-N 3.24Å; V536-L542 HydrophobicContact CG2-CD2 4.3Å; V536-I577 HydrophobicContact CG1-CG2 4.15Å; V536-Y578 HydrophobicContact CB-CE2 4.04Å; V536-Y578 HydrophobicContact CG1-CE2 3.74Å
537	R	93.5	Very high	94.7	Very high	14 Å²	14	11.9 Å²	11.9	5%	0.053	6%	0.064	C	C	.	.			trans	62.5	18.9	175	-47.8	-57.5	179.7	75.1	3.2	116.4	G533 G534 K567 G570 D571 S574 G576	G533-R537 VanDerWaalsContact O-CA 3.26Å; G533-R537 WeakPolarHBondContact O-CA 3.4Å; G533-R537 WeakPolarHBondContact O-CD 3.09Å; G533-R537 PolarHBondContact O-N 2.98Å; G534-R537 PolarHBondContact O-NE 3.25Å; G534-R537 PolarHBondContact O-NH2 3.41Å; R537-K567 WeakPolarHBondContact O-CD 3.39Å; R537-K567 PolarHBondContact O-NZ 3.32Å; R537-G570 PolarHBondContact NH1-O 3.37Å; R537-G570 VanDerWaalsContact NH1-O 3.08Å; R537-G570 PolarHBondContact NH2-O 3.48Å; R537-G570 VanDerWaalsContact NH2-O 3.14Å; R537-D571 IonicContact CZ-OD1 3.19Å; R537-D571 VanDerWaalsContact NH1-CA 3.29Å; R537-D571 IonicContact NH1-OD1 2.69Å; R537-D571 PolarHBondContact NH1-OD1 3.01Å; R537-S574 PolarHBondContact NH1-O 3.44Å; R537-S574 PolarHBondContact NH2-O 2.83Å; R537-S574 PolarHBondContact NH2-OG 2.97Å; R537-G576 VanDerWaalsContact CG-CA 3.42Å
538	M	90.5	Very high	94.4	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.015	8%	0.076	C	C	.	.			trans	-87.9	140.9	173	-49.4	-177.4	70.1	0	0	109.6	F288 E291 E292 V536 S541 L542	F288-M538 HydrophobicContact CD2-CE 3.33Å; F288-M538 HydrophobicContact CD2-SD 4.2Å; F288-M538 HydrophobicContact CE2-CE 3.53Å; F288-M538 HydrophobicContact CE2-SD 3.94Å; F288-M538 HydrophobicContact CG-CE 4.24Å; E291-M538 WeakPolarHBondContact OE1-CA 3.46Å; E292-M538 HydrophobicContact CG-CE 3.45Å; E292-M538 VanDerWaalsContact CG-CE 3.45Å; E292-M538 HydrophobicContact CG-SD 4.42Å; V536-M538 HydrophobicContact CB-CG 4.15Å; V536-M538 HydrophobicContact CB-SD 4.39Å; V536-M538 HydrophobicContact CG2-CB 4.13Å; V536-M538 HydrophobicContact CG2-CG 3.8Å; V536-M538 HydrophobicContact CG2-SD 4.12Å; V536-M538 PolarHBondContact O-N 3.24Å; M538-S541 WeakPolarHBondContact CE-OG 3.39Å; M538-L542 HydrophobicContact CB-CB 4.26Å
539	T	91.3	Very high	94	Very high	25 Å²	25	14.9 Å²	14.9	15%	0.153	8%	0.079	C	C	.	.			trans	-123.9	-60.5	-177	52.6	0	0	0	0	113.3	E291 T543 L563 K567	E291-T539 PolarHBondContact OE1-N 3.11Å; T539-T543 WeakPolarHBondContact O-CB 3.49Å; T539-T543 PolarHBondContact O-N 2.97Å; T539-T543 PolarHBondContact O-OG1 3.17Å; T539-L563 HydrophobicContact CG2-CB 4.43Å; T539-K567 HydrophobicContact CG2-CB 4.02Å; T539-K567 HydrophobicContact CG2-CD 3.66Å; T539-K567 HydrophobicContact CG2-CG 4.46Å
540	L	92.7	Very high	93.6	Very high	109 Å²	109	15.2 Å²	15.2	57%	0.571	8%	0.081	S	C	*	.	H	α-helix	trans	-69.7	-52.1	-171.4	-67.9	177.1	0	0	0	111.6	L542 T543 V544 L560	L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.77Å; L540-T543 PolarHBondContact O-N 2.84Å; L540-V544 PolarHBondContact O-N 2.84Å; L540-L560 HydrophobicContact CD2-CD1 4.2Å
541	S	93.4	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-43.2	174.8	55.8	0	0	0	0	111.9	F288 E291 M538 V544 I545	F288-S541 VanDerWaalsContact N-CB 3.35Å; E291-S541 WeakPolarHBondContact OE2-CB 3.19Å; E291-S541 PolarHBondContact OE2-N 3.38Å; E291-S541 PolarHBondContact OE2-OG 3.09Å; M538-S541 WeakPolarHBondContact CE-OG 3.39Å; S541-V544 PolarHBondContact O-N 3.05Å; S541-I545 WeakPolarHBondContact O-CB 3.14Å; S541-I545 WeakPolarHBondContact O-CG1 3.17Å; S541-I545 PolarHBondContact O-N 3.39Å
542	L	94.3	Very high	92.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-67.1	-38.8	-178.6	-178.6	54.9	0	0	0	112.7	L532 V536 M538 L540 V544 I545 L546 L563	L532-L542 HydrophobicContact CB-CD2 4.43Å; L532-L542 HydrophobicContact CD2-CD1 3.52Å; L532-L542 HydrophobicContact CD2-CD2 3.95Å; L532-L542 HydrophobicContact CD2-CG 4.4Å; L532-L542 HydrophobicContact CG-CD1 4.32Å; L532-L542 HydrophobicContact CG-CD2 3.82Å; V536-L542 HydrophobicContact CG2-CD2 4.3Å; M538-L542 HydrophobicContact CB-CB 4.26Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-L542 PolarHBondContact O-N 2.77Å; L542-V544 VanDerWaalsContact C-N 3.33Å; L542-V544 PolarHBondContact O-N 3.29Å; L542-I545 PolarHBondContact O-N 2.9Å; L542-L546 HydrophobicContact CD1-CD1 4.03Å; L542-L546 HydrophobicContact CD1-CD2 4.47Å; L542-L546 HydrophobicContact CD1-CG 3.95Å; L542-L546 HydrophobicContact CG-CD1 4.19Å; L542-L546 WeakPolarHBondContact O-CG 3.5Å; L542-L546 PolarHBondContact O-N 3.05Å; L542-L563 HydrophobicContact CB-CD1 4.28Å; L542-L563 HydrophobicContact CD2-CD1 4.34Å; L542-L563 HydrophobicContact CD2-CD2 3.66Å; L542-L563 HydrophobicContact CG-CD1 4Å; L542-L563 HydrophobicContact CG-CD2 4.22Å
543	T	95.6	Very high	91.9	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-49.5	172.8	-57.9	0	0	0	0	110.4	T539 L540 L546 M547 G556 L559 L560 L563	T539-T543 WeakPolarHBondContact O-CB 3.49Å; T539-T543 PolarHBondContact O-N 2.97Å; T539-T543 PolarHBondContact O-OG1 3.17Å; L540-T543 PolarHBondContact O-N 2.84Å; T543-L546 PolarHBondContact O-N 3.41Å; T543-M547 VanDerWaalsContact O-CB 3.27Å; T543-M547 WeakPolarHBondContact O-CB 3.29Å; T543-M547 PolarHBondContact O-N 2.83Å; T543-G556 WeakPolarHBondContact CG2-O 3.46Å; T543-L559 HydrophobicContact CG2-CB 4.17Å; T543-L560 HydrophobicContact CG2-CB 4.02Å; T543-L563 WeakPolarHBondContact OG1-CD1 3.31Å
544	V	95.3	Very high	91.6	Very high	27 Å²	27	28 Å²	28	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-70.8	-37.1	-178.3	177.9	0	0	0	0	112	V283 L287 L540 S541 L542 L546 M547 E548	V283-V544 HydrophobicContact CB-CG1 4.04Å; V283-V544 HydrophobicContact CG1-CG1 4.08Å; L287-V544 HydrophobicContact CD1-CB 3.91Å; L287-V544 HydrophobicContact CD1-CG1 4.21Å; L287-V544 HydrophobicContact CD1-CG2 3.6Å; L540-V544 PolarHBondContact O-N 2.84Å; S541-V544 PolarHBondContact O-N 3.05Å; L542-V544 VanDerWaalsContact C-N 3.33Å; L542-V544 PolarHBondContact O-N 3.29Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 3.32Å; V544-M547 HydrophobicContact CG1-CE 4.37Å; V544-M547 PolarHBondContact O-N 3.08Å; V544-E548 HydrophobicContact CG1-CG 4.12Å; V544-E548 WeakPolarHBondContact O-CB 3.38Å; V544-E548 WeakPolarHBondContact O-CG 3.44Å; V544-E548 PolarHBondContact O-N 3.4Å
545	I	93.8	Very high	91.2	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-46.8	173.7	-72	165.9	0	0	0	111	V275 F279 A281 S541 L542 A549	V275-I545 HydrophobicContact CG1-CD1 3.79Å; V275-I545 HydrophobicContact CG1-CG1 4.22Å; F279-I545 HydrophobicContact CB-CG2 3.75Å; F279-I545 HydrophobicContact CD1-CG2 4.02Å; F279-I545 HydrophobicContact CD2-CG2 3.97Å; F279-I545 HydrophobicContact CG-CG2 3.64Å; A281-I545 HydrophobicContact CB-CB 4.25Å; A281-I545 HydrophobicContact CB-CG1 4.08Å; A281-I545 HydrophobicContact CB-CG2 4.26Å; S541-I545 WeakPolarHBondContact O-CB 3.14Å; S541-I545 WeakPolarHBondContact O-CG1 3.17Å; S541-I545 PolarHBondContact O-N 3.39Å; L542-I545 PolarHBondContact O-N 2.9Å; I545-A549 WeakPolarHBondContact O-CB 3.5Å; I545-A549 PolarHBondContact O-N 3.1Å
546	L	92.6	Very high	91	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-41.2	179.5	-66.1	176.1	0	0	0	111.5	F338 L495 A529 L542 T543 V544 A549 T550 L559	F338-L546 HydrophobicContact CE2-CD2 3.77Å; F338-L546 HydrophobicContact CZ-CD2 4.05Å; L495-L546 HydrophobicContact CD2-CD2 4.16Å; A529-L546 HydrophobicContact CB-CD1 3.56Å; L542-L546 HydrophobicContact CD1-CD1 4.03Å; L542-L546 HydrophobicContact CD1-CD2 4.47Å; L542-L546 HydrophobicContact CD1-CG 3.95Å; L542-L546 HydrophobicContact CG-CD1 4.19Å; L542-L546 WeakPolarHBondContact O-CG 3.5Å; L542-L546 PolarHBondContact O-N 3.05Å; T543-L546 PolarHBondContact O-N 3.41Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 3.32Å; L546-A549 PolarHBondContact O-N 2.88Å; L546-T550 VanDerWaalsContact O-CG2 3.28Å; L546-T550 WeakPolarHBondContact O-CG2 3.31Å; L546-T550 PolarHBondContact O-N 3.43Å; L546-T550 PolarHBondContact O-OG1 3.29Å; L546-L559 HydrophobicContact CB-CD1 3.93Å; L546-L559 HydrophobicContact CB-CD2 4.48Å; L546-L559 HydrophobicContact CD1-CD2 3.99Å
547	M	91.4	Very high	90.9	Very high	43 Å²	43	32.9 Å²	32.9	21%	0.212	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-42.5	177.3	-172.6	-164.8	76	0	0	113.4	T543 V544 T550 G551 N552 V553	T543-M547 VanDerWaalsContact O-CB 3.27Å; T543-M547 WeakPolarHBondContact O-CB 3.29Å; T543-M547 PolarHBondContact O-N 2.83Å; V544-M547 HydrophobicContact CG1-CE 4.37Å; V544-M547 PolarHBondContact O-N 3.08Å; M547-T550 PolarHBondContact O-OG1 2.95Å; M547-G551 PolarHBondContact O-N 2.87Å; M547-N552 WeakPolarHBondContact CG-O 3.41Å; M547-N552 PolarHBondContact O-N 3.3Å; M547-V553 HydrophobicContact SD-CB 4.28Å; M547-V553 HydrophobicContact SD-CG1 4Å; M547-V553 HydrophobicContact SD-CG2 4.32Å
548	E	91	Very high	90.9	Very high	53 Å²	53	32.3 Å²	32.3	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-37.3	174.4	-73.5	-174.9	124.2	0	0	111.2	A281 P282 V283 G284 V544 G551	A281-E548 WeakPolarHBondContact CA-OE2 3.2Å; A281-E548 HydrophobicContact CB-CB 3.9Å; A281-E548 VanDerWaalsContact CB-OE2 3.25Å; A281-E548 WeakPolarHBondContact CB-OE2 3.4Å; P282-E548 VanDerWaalsContact CD-OE1 3.31Å; P282-E548 WeakPolarHBondContact CD-OE1 3.2Å; V283-E548 WeakPolarHBondContact CB-OE1 3.34Å; V283-E548 WeakPolarHBondContact CG2-OE1 3.46Å; V283-E548 PolarHBondContact N-OE1 3.02Å; V283-E548 VanDerWaalsContact N-OE1 3.09Å; V283-E548 PolarHBondContact N-OE2 3.07Å; V283-E548 VanDerWaalsContact N-OE2 3.1Å; G284-E548 PolarHBondContact N-OE2 3.35Å; V544-E548 HydrophobicContact CG1-CG 4.12Å; V544-E548 WeakPolarHBondContact O-CB 3.38Å; V544-E548 WeakPolarHBondContact O-CG 3.44Å; V544-E548 PolarHBondContact O-N 3.4Å; E548-G551 PolarHBondContact O-N 3.32Å
549	A	88.2	Confident	91.1	Very high	11 Å²	11	32.2 Å²	32.2	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-80.7	-19.1	-177.3	0	0	0	0	0	115	F338 I545 L546	F338-A549 HydrophobicContact CD2-CB 3.49Å; F338-A549 VanDerWaalsContact CD2-CB 3.49Å; F338-A549 HydrophobicContact CE2-CB 3.49Å; F338-A549 VanDerWaalsContact CE2-CB 3.49Å; I545-A549 WeakPolarHBondContact O-CB 3.5Å; I545-A549 PolarHBondContact O-N 3.1Å; L546-A549 PolarHBondContact O-N 2.88Å
550	T	86.8	Confident	91.3	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	20%	0.202	C	C	.	.	H	α-helix	trans	-87.5	-17.4	166.6	59.2	0	0	0	0	112.6	F338 F341 L525 L546 M547 N552	F338-T550 HydrophobicContact CD2-CG2 4.31Å; F341-T550 HydrophobicContact CD2-CG2 4.06Å; F341-T550 HydrophobicContact CE2-CG2 3.76Å; F341-T550 HydrophobicContact CZ-CG2 4.47Å; L525-T550 HydrophobicContact CD1-CG2 3.87Å; L525-T550 HydrophobicContact CD2-CG2 3.72Å; L525-T550 HydrophobicContact CG-CG2 4.47Å; L546-T550 VanDerWaalsContact O-CG2 3.28Å; L546-T550 WeakPolarHBondContact O-CG2 3.31Å; L546-T550 PolarHBondContact O-N 3.43Å; L546-T550 PolarHBondContact O-OG1 3.29Å; M547-T550 PolarHBondContact O-OG1 2.95Å; T550-N552 PolarHBondContact O-N 3.47Å; T550-N552 PolarHBondContact OG1-N 3.3Å
551	G	84.4	Confident	91.5	Very high	70 Å²	70	31.9 Å²	31.9	72%	0.722	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	10.5	-176.2	0	0	0	0	0	114.7	M547 E548	M547-G551 PolarHBondContact O-N 2.87Å; E548-G551 PolarHBondContact O-N 3.32Å
552	N	84.9	Confident	91.6	Very high	17 Å²	17	31.9 Å²	31.9	9%	0.091	19%	0.191	C	C	.	.			trans	-127.3	121.1	-175.3	-173.3	-16.3	0	0	0	111.5	L344 M547 T550 I554 V555	L344-N552 VanDerWaalsContact C-ND2 3.29Å; L344-N552 PolarHBondContact O-ND2 3.37Å; M547-N552 WeakPolarHBondContact CG-O 3.41Å; M547-N552 PolarHBondContact O-N 3.3Å; T550-N552 PolarHBondContact O-N 3.47Å; T550-N552 PolarHBondContact OG1-N 3.3Å; N552-I554 VanDerWaalsContact OD1-CB 3.27Å; N552-I554 WeakPolarHBondContact OD1-CB 3.35Å; N552-I554 PolarHBondContact OD1-N 3.33Å; N552-V555 VanDerWaalsContact O-CG2 3.29Å; N552-V555 WeakPolarHBondContact O-CG2 3.42Å
553	V	88.1	Confident	91.7	Very high	106 Å²	106	31.8 Å²	31.8	64%	0.642	19%	0.191	S	C	*	.	S	Bend	trans	-75.6	-26.7	-178.7	-179.2	0	0	0	0	112.6	M547 V555 G556	M547-V553 HydrophobicContact SD-CB 4.28Å; M547-V553 HydrophobicContact SD-CG1 4Å; M547-V553 HydrophobicContact SD-CG2 4.32Å; V553-V555 VanDerWaalsContact C-N 3.3Å; V553-V555 PolarHBondContact O-N 2.97Å; V553-G556 PolarHBondContact O-N 3.32Å
554	I	88.8	Confident	91.8	Very high	79 Å²	79	33.7 Å²	33.7	41%	0.405	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.7	-172.2	-62.7	173.8	0	0	0	111.3	N345 Y347 N552 G556	N345-I554 VanDerWaalsContact O-CD1 3.29Å; N345-I554 WeakPolarHBondContact O-CD1 3.29Å; Y347-I554 HydrophobicContact CD1-CG2 3.9Å; Y347-I554 HydrophobicContact CE1-CG2 3.59Å; Y347-I554 WeakPolarHBondContact CE1-O 3.26Å; N552-I554 VanDerWaalsContact OD1-CB 3.27Å; N552-I554 WeakPolarHBondContact OD1-CB 3.35Å; N552-I554 PolarHBondContact OD1-N 3.33Å; I554-G556 PolarHBondContact O-N 3.45Å
555	V	88.3	Confident	91.9	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.036	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.3	174.8	-69.3	0	0	0	0	114.9	L344 N552 V553 L557 P558 L559	L344-V555 HydrophobicContact CB-CG1 4.13Å; L344-V555 HydrophobicContact CD1-CG1 3.98Å; L344-V555 HydrophobicContact CD2-CG1 3.77Å; L344-V555 HydrophobicContact CG-CG1 4.19Å; N552-V555 VanDerWaalsContact O-CG2 3.29Å; N552-V555 WeakPolarHBondContact O-CG2 3.42Å; V553-V555 VanDerWaalsContact C-N 3.3Å; V553-V555 PolarHBondContact O-N 2.97Å; V555-L557 VanDerWaalsContact C-N 3.25Å; V555-L557 PolarHBondContact O-N 3.35Å; V555-P558 WeakPolarHBondContact O-CD 3.33Å; V555-L559 HydrophobicContact CB-CD1 4.19Å; V555-L559 HydrophobicContact CB-CG 4.48Å; V555-L559 HydrophobicContact CG2-CD1 3.93Å; V555-L559 WeakPolarHBondContact O-CB 3.47Å; V555-L559 WeakPolarHBondContact O-CD1 3.47Å; V555-L559 VanDerWaalsContact O-CG 3.22Å; V555-L559 WeakPolarHBondContact O-CG 3.18Å; V555-L559 PolarHBondContact O-N 2.86Å
556	G	91.9	Very high	92.1	Very high	12 Å²	12	33.9 Å²	33.9	12%	0.124	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-36.3	179.4	0	0	0	0	0	113.4	T543 V553 I554 L560	T543-G556 WeakPolarHBondContact CG2-O 3.46Å; V553-G556 PolarHBondContact O-N 3.32Å; I554-G556 PolarHBondContact O-N 3.45Å; G556-L560 VanDerWaalsContact O-CB 3.3Å; G556-L560 WeakPolarHBondContact O-CB 3.42Å; G556-L560 PolarHBondContact O-N 3.35Å
557	L	92.4	Very high	92.2	Very high	88 Å²	88	36.7 Å²	36.7	46%	0.461	22%	0.216	S	C	.	.	H	α-helix	trans	-73.4	-51.5	178.4	-178.6	66.4	0	0	0	112.8	V555 L559 L560 M561	V555-L557 VanDerWaalsContact C-N 3.25Å; V555-L557 PolarHBondContact O-N 3.35Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 3.35Å; L557-L560 PolarHBondContact O-N 3.43Å; L557-M561 HydrophobicContact CD1-CE 3.87Å; L557-M561 HydrophobicContact CD1-CG 4.46Å; L557-M561 HydrophobicContact CD2-CE 4.27Å; L557-M561 HydrophobicContact CG-CE 4Å; L557-M561 WeakPolarHBondContact O-CG 3.33Å; L557-M561 PolarHBondContact O-N 3.41Å
558	P	92.9	Very high	92.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	24%	0.238	C	C	.	.	H	α-helix	trans	-50.1	-45.2	168.7	-33.4	36.7	0	0	0	114.3	Y347 F355 I526 V555 T562	Y347-P558 HydrophobicContact CD1-CG 4.02Å; Y347-P558 HydrophobicContact CD2-CG 3.97Å; Y347-P558 HydrophobicContact CE1-CG 3.68Å; Y347-P558 HydrophobicContact CE2-CG 3.63Å; Y347-P558 HydrophobicContact CG-CG 4.16Å; Y347-P558 VanDerWaalsContact CZ-CG 3.49Å; F355-P558 HydrophobicContact CD2-CB 3.77Å; F355-P558 HydrophobicContact CD2-CG 4.33Å; F355-P558 HydrophobicContact CE2-CB 4Å; F355-P558 HydrophobicContact CE2-CG 4.25Å; I526-P558 HydrophobicContact CD1-CB 3.99Å; V555-P558 WeakPolarHBondContact O-CD 3.33Å; P558-T562 WeakPolarHBondContact O-CB 3.36Å; P558-T562 PolarHBondContact O-N 2.9Å; P558-T562 PolarHBondContact O-OG1 3.27Å
559	L	95.1	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-48.5	178.2	-72.7	168.1	0	0	0	111.1	I526 A529 T543 L546 V555 L557 M561 T562 L563	I526-L559 HydrophobicContact CD1-CD2 4.07Å; I526-L559 HydrophobicContact CD1-CG 4.42Å; A529-L559 HydrophobicContact CB-CD2 3.49Å; A529-L559 VanDerWaalsContact CB-CD2 3.49Å; T543-L559 HydrophobicContact CG2-CB 4.17Å; L546-L559 HydrophobicContact CB-CD1 3.93Å; L546-L559 HydrophobicContact CB-CD2 4.48Å; L546-L559 HydrophobicContact CD1-CD2 3.99Å; V555-L559 HydrophobicContact CB-CD1 4.19Å; V555-L559 HydrophobicContact CB-CG 4.48Å; V555-L559 HydrophobicContact CG2-CD1 3.93Å; V555-L559 WeakPolarHBondContact O-CB 3.47Å; V555-L559 WeakPolarHBondContact O-CD1 3.47Å; V555-L559 VanDerWaalsContact O-CG 3.22Å; V555-L559 WeakPolarHBondContact O-CG 3.18Å; V555-L559 PolarHBondContact O-N 2.86Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 3.35Å; L559-M561 PolarHBondContact O-N 2.88Å; L559-T562 PolarHBondContact O-N 3.47Å; L559-L563 VanDerWaalsContact O-CB 3.27Å; L559-L563 WeakPolarHBondContact O-CB 3.27Å; L559-L563 WeakPolarHBondContact O-CG 3.49Å; L559-L563 PolarHBondContact O-N 3.04Å
560	L	95.9	Very high	93	Very high	59 Å²	59	42.6 Å²	42.6	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-43.5	179.7	-175.8	61	0	0	0	112.4	L540 T543 G556 L557 T564	L540-L560 HydrophobicContact CD2-CD1 4.2Å; T543-L560 HydrophobicContact CG2-CB 4.02Å; G556-L560 VanDerWaalsContact O-CB 3.3Å; G556-L560 WeakPolarHBondContact O-CB 3.42Å; G556-L560 PolarHBondContact O-N 3.35Å; L557-L560 PolarHBondContact O-N 3.43Å; L560-T564 VanDerWaalsContact O-CB 3.25Å; L560-T564 WeakPolarHBondContact O-CB 3.35Å; L560-T564 PolarHBondContact O-N 3.48Å; L560-T564 PolarHBondContact O-OG1 2.99Å
561	M	95.6	Very high	93.3	Very high	69 Å²	69	45.5 Å²	45.5	34%	0.34	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-50.7	176.2	-71.4	-169.3	-178.7	0	0	111.3	I352 L356 L557 L559 L563 T564 V565	I352-M561 HydrophobicContact CG2-SD 3.62Å; L356-M561 HydrophobicContact CD2-CB 4.07Å; L557-M561 HydrophobicContact CD1-CE 3.87Å; L557-M561 HydrophobicContact CD1-CG 4.46Å; L557-M561 HydrophobicContact CD2-CE 4.27Å; L557-M561 HydrophobicContact CG-CE 4Å; L557-M561 WeakPolarHBondContact O-CG 3.33Å; L557-M561 PolarHBondContact O-N 3.41Å; L559-M561 PolarHBondContact O-N 2.88Å; M561-L563 PolarHBondContact O-N 3.08Å; M561-T564 PolarHBondContact O-N 3.09Å; M561-V565 PolarHBondContact O-N 3.35Å
562	T	96.5	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-48.3	179.4	-55.7	0	0	0	0	111.7	F355 I526 A530 P558 L559 T564 V565 A566	F355-T562 PolarHBondContact O-OG1 2.86Å; I526-T562 HydrophobicContact CG2-CG2 3.87Å; A530-T562 HydrophobicContact CB-CG2 3.64Å; P558-T562 WeakPolarHBondContact O-CB 3.36Å; P558-T562 PolarHBondContact O-N 2.9Å; P558-T562 PolarHBondContact O-OG1 3.27Å; L559-T562 PolarHBondContact O-N 3.47Å; T562-T564 VanDerWaalsContact C-N 3.34Å; T562-T564 PolarHBondContact O-N 3.04Å; T562-V565 PolarHBondContact O-N 2.56Å; T562-A566 WeakPolarHBondContact O-CB 3.37Å; T562-A566 PolarHBondContact O-N 3.21Å
563	L	97.3	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-36.2	-179.8	-73	171	0	0	0	112.2	A529 T539 L542 T543 L559 M561 K567	A529-L563 HydrophobicContact CB-CD2 4.32Å; A529-L563 WeakPolarHBondContact O-CD2 3.42Å; T539-L563 HydrophobicContact CG2-CB 4.43Å; L542-L563 HydrophobicContact CB-CD1 4.28Å; L542-L563 HydrophobicContact CD2-CD1 4.34Å; L542-L563 HydrophobicContact CD2-CD2 3.66Å; L542-L563 HydrophobicContact CG-CD1 4Å; L542-L563 HydrophobicContact CG-CD2 4.22Å; T543-L563 WeakPolarHBondContact OG1-CD1 3.31Å; L559-L563 VanDerWaalsContact O-CB 3.27Å; L559-L563 WeakPolarHBondContact O-CB 3.27Å; L559-L563 WeakPolarHBondContact O-CG 3.49Å; L559-L563 PolarHBondContact O-N 3.04Å; M561-L563 PolarHBondContact O-N 3.08Å; L563-K567 VanDerWaalsContact O-CB 3.31Å; L563-K567 WeakPolarHBondContact O-CB 3.18Å; L563-K567 PolarHBondContact O-N 3.37Å
564	T	96.9	Very high	94	Very high	51 Å²	51	46.4 Å²	46.4	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-47.5	175.6	-60.3	0	0	0	0	110.9	L560 M561 T562 K567 Y568	L560-T564 VanDerWaalsContact O-CB 3.25Å; L560-T564 WeakPolarHBondContact O-CB 3.35Å; L560-T564 PolarHBondContact O-N 3.48Å; L560-T564 PolarHBondContact O-OG1 2.99Å; M561-T564 PolarHBondContact O-N 3.09Å; T562-T564 VanDerWaalsContact C-N 3.34Å; T562-T564 PolarHBondContact O-N 3.04Å; T564-K567 PolarHBondContact O-N 2.91Å; T564-Y568 HydrophobicContact CG2-CD2 3.78Å; T564-Y568 HydrophobicContact CG2-CE2 3.63Å; T564-Y568 VanDerWaalsContact O-CD2 3.26Å; T564-Y568 WeakPolarHBondContact O-CD2 3.4Å; T564-Y568 PolarHBondContact O-N 3.17Å
565	V	97.3	Very high	94	Very high	35 Å²	35	47.5 Å²	47.5	21%	0.212	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-43.5	176.6	175.5	0	0	0	0	111.7	L356 L360 M561 T562 K567 Y568 M569	L356-V565 HydrophobicContact CD2-CG2 3.63Å; L360-V565 HydrophobicContact CD2-CG1 3.46Å; L360-V565 VanDerWaalsContact CD2-CG1 3.46Å; L360-V565 HydrophobicContact CG-CG1 3.68Å; M561-V565 PolarHBondContact O-N 3.35Å; T562-V565 PolarHBondContact O-N 2.56Å; V565-K567 VanDerWaalsContact C-N 3.3Å; V565-K567 PolarHBondContact O-N 2.83Å; V565-Y568 PolarHBondContact O-N 3.35Å; V565-M569 WeakPolarHBondContact O-CB 3.42Å; V565-M569 PolarHBondContact O-N 3Å
566	A	97.6	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-38.2	176.8	0	0	0	0	0	112.4	G359 G363 T562 G570	G359-A566 WeakPolarHBondContact O-CA 3.38Å; G359-A566 WeakPolarHBondContact O-CB 3.13Å; G363-A566 WeakPolarHBondContact CA-O 3.35Å; T562-A566 WeakPolarHBondContact O-CB 3.37Å; T562-A566 PolarHBondContact O-N 3.21Å; A566-G570 PolarHBondContact O-N 2.99Å
567	K	95.9	Very high	94.3	Very high	62 Å²	62	46.8 Å²	46.8	27%	0.27	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-56.4	172.7	178	170.4	177.4	52.9	0	111.3	R537 T539 L563 T564 V565 M569 G570 D571	R537-K567 WeakPolarHBondContact O-CD 3.39Å; R537-K567 PolarHBondContact O-NZ 3.32Å; T539-K567 HydrophobicContact CG2-CB 4.02Å; T539-K567 HydrophobicContact CG2-CD 3.66Å; T539-K567 HydrophobicContact CG2-CG 4.46Å; L563-K567 VanDerWaalsContact O-CB 3.31Å; L563-K567 WeakPolarHBondContact O-CB 3.18Å; L563-K567 PolarHBondContact O-N 3.37Å; T564-K567 PolarHBondContact O-N 2.91Å; V565-K567 VanDerWaalsContact C-N 3.3Å; V565-K567 PolarHBondContact O-N 2.83Å; K567-M569 PolarHBondContact O-N 3.47Å; K567-G570 PolarHBondContact O-N 2.93Å; K567-D571 VanDerWaalsContact CE-OD2 3.26Å; K567-D571 WeakPolarHBondContact CE-OD2 3.43Å; K567-D571 VanDerWaalsContact CG-OD2 3.26Å; K567-D571 WeakPolarHBondContact CG-OD2 3.43Å; K567-D571 IonicContact NZ-OD1 2.77Å; K567-D571 PolarHBondContact NZ-OD1 3.37Å; K567-D571 IonicContact NZ-OD2 2.98Å; K567-D571 PolarHBondContact NZ-OD2 2.92Å; K567-D571 VanDerWaalsContact O-CB 3.29Å; K567-D571 WeakPolarHBondContact O-CB 3.26Å; K567-D571 PolarHBondContact O-N 2.71Å
568	Y	95.7	Very high	94.2	Very high	169 Å²	169	42.7 Å²	42.7	66%	0.663	22%	0.219	S	C	*	.	H	α-helix	trans	-58.6	-48.6	-178	-83.1	-66.7	0	0	0	112.6	T564 V565 G570 D571 C572	T564-Y568 HydrophobicContact CG2-CD2 3.78Å; T564-Y568 HydrophobicContact CG2-CE2 3.63Å; T564-Y568 VanDerWaalsContact O-CD2 3.26Å; T564-Y568 WeakPolarHBondContact O-CD2 3.4Å; T564-Y568 PolarHBondContact O-N 3.17Å; V565-Y568 PolarHBondContact O-N 3.35Å; Y568-G570 VanDerWaalsContact C-N 3.28Å; Y568-G570 PolarHBondContact O-N 3.38Å; Y568-D571 PolarHBondContact O-N 2.95Å; Y568-C572 PolarHBondContact O-N 3.21Å; Y568-C572 PolarHBondContact O-SG 3.32Å; Y568-C572 VanDerWaalsContact O-SG 3.4Å
569	M	96	Very high	94.1	Very high	61 Å²	61	44.4 Å²	44.4	30%	0.3	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-39.7	-179.4	-179.3	61.1	-138.7	0	0	112.2	L360 L364 V565 K567 L573	L360-M569 HydrophobicContact CD2-CB 4.06Å; L360-M569 HydrophobicContact CD2-CG 4.12Å; L360-M569 HydrophobicContact CD2-SD 4.17Å; L364-M569 HydrophobicContact CB-CE 4.45Å; L364-M569 HydrophobicContact CD1-CE 4.3Å; V565-M569 WeakPolarHBondContact O-CB 3.42Å; V565-M569 PolarHBondContact O-N 3Å; K567-M569 PolarHBondContact O-N 3.47Å; M569-L573 HydrophobicContact CE-CD1 3.84Å
570	G	94.6	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-76.7	-34.9	176.9	0	0	0	0	0	114	R537 A566 K567 Y568 C572 L573 S574	R537-G570 PolarHBondContact NH1-O 3.37Å; R537-G570 VanDerWaalsContact NH1-O 3.08Å; R537-G570 PolarHBondContact NH2-O 3.48Å; R537-G570 VanDerWaalsContact NH2-O 3.14Å; A566-G570 PolarHBondContact O-N 2.99Å; K567-G570 PolarHBondContact O-N 2.93Å; Y568-G570 VanDerWaalsContact C-N 3.28Å; Y568-G570 PolarHBondContact O-N 3.38Å; G570-C572 PolarHBondContact O-N 3.19Å; G570-L573 PolarHBondContact O-N 3.36Å; G570-S574 PolarHBondContact O-N 3.4Å; G570-S574 VanDerWaalsContact O-O 3.08Å
571	D	92.2	Very high	93.6	Very high	69 Å²	69	43.2 Å²	43.2	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-23.2	-176.9	-76.4	-0.6	0	0	0	110.9	R537 K567 Y568 L573	R537-D571 IonicContact CZ-OD1 3.19Å; R537-D571 VanDerWaalsContact NH1-CA 3.29Å; R537-D571 IonicContact NH1-OD1 2.69Å; R537-D571 PolarHBondContact NH1-OD1 3.01Å; K567-D571 VanDerWaalsContact CE-OD2 3.26Å; K567-D571 WeakPolarHBondContact CE-OD2 3.43Å; K567-D571 VanDerWaalsContact CG-OD2 3.26Å; K567-D571 WeakPolarHBondContact CG-OD2 3.43Å; K567-D571 IonicContact NZ-OD1 2.77Å; K567-D571 PolarHBondContact NZ-OD1 3.37Å; K567-D571 IonicContact NZ-OD2 2.98Å; K567-D571 PolarHBondContact NZ-OD2 2.92Å; K567-D571 VanDerWaalsContact O-CB 3.29Å; K567-D571 WeakPolarHBondContact O-CB 3.26Å; K567-D571 PolarHBondContact O-N 2.71Å; Y568-D571 PolarHBondContact O-N 2.95Å; D571-L573 VanDerWaalsContact C-N 3.26Å; D571-L573 PolarHBondContact O-N 2.91Å
572	C	92.1	Very high	93.3	Very high	108 Å²	108	40.2 Å²	40.2	73%	0.73	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.2	168.4	-64.3	0	0	0	0	115.1	Y568 G570	Y568-C572 PolarHBondContact O-N 3.21Å; Y568-C572 PolarHBondContact O-SG 3.32Å; Y568-C572 VanDerWaalsContact O-SG 3.4Å; G570-C572 PolarHBondContact O-N 3.19Å
573	L	91.2	Very high	92.7	Very high	91 Å²	91	41.5 Å²	41.5	48%	0.476	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-34.1	-170.6	-67.9	174.3	0	0	0	114.2	L364 A367 M569 G570 D571	L364-L573 HydrophobicContact CD1-CD1 3.62Å; A367-L573 HydrophobicContact CB-CB 3.66Å; A367-L573 HydrophobicContact CB-CD1 4.02Å; M569-L573 HydrophobicContact CE-CD1 3.84Å; G570-L573 PolarHBondContact O-N 3.36Å; D571-L573 VanDerWaalsContact C-N 3.26Å; D571-L573 PolarHBondContact O-N 2.91Å
574	S	89.9	Confident	92.1	Very high	13 Å²	13	41.5 Å²	41.5	9%	0.091	22%	0.22	C	C	.	.			trans	-156.3	161.4	176.2	77.7	0	0	0	0	111.4	R537 G570	R537-S574 PolarHBondContact NH1-O 3.44Å; R537-S574 PolarHBondContact NH2-O 2.83Å; R537-S574 PolarHBondContact NH2-OG 2.97Å; G570-S574 PolarHBondContact O-N 3.4Å; G570-S574 VanDerWaalsContact O-O 3.08Å
575	E	88.6	Confident	91.5	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	22%	0.223	S	C	.	.			trans	-66.3	173.8	159.6	-64.4	-167.4	174.3	0	0	111
576	G	92.2	Very high	90.7	Very high	3 Å²	3	41 Å²	41	3%	0.031	21%	0.214	C	C	.	.			trans	-75.7	154.4	172.9	0	0	0	0	0	112.6	R537 Y578 D579 E580	R537-G576 VanDerWaalsContact CG-CA 3.42Å; G576-Y578 PolarHBondContact O-N 3.29Å; G576-Y578 VanDerWaalsContact O-N 3.09Å; G576-D579 PolarHBondContact O-N 2.93Å; G576-D579 VanDerWaalsContact O-N 3.08Å; G576-E580 PolarHBondContact O-N 3.34Å
577	I	93.7	Very high	89.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.2	-36	-171.6	-161.6	179.7	0	0	0	113.9	F369 V370 N373 Y482 L490 I535 V536 H581	F369-I577 HydrophobicContact CE1-CD1 4.15Å; V370-I577 HydrophobicContact CG2-CB 3.89Å; V370-I577 HydrophobicContact CG2-CG1 4.37Å; N373-I577 WeakPolarHBondContact ND2-CD1 3.28Å; Y482-I577 HydrophobicContact CD1-CD1 4.02Å; Y482-I577 HydrophobicContact CE1-CD1 3.7Å; Y482-I577 HydrophobicContact CE1-CG1 4.12Å; Y482-I577 HydrophobicContact CE2-CD1 4.32Å; Y482-I577 HydrophobicContact CG-CD1 4.42Å; L490-I577 HydrophobicContact CD1-CD1 4.3Å; L490-I577 HydrophobicContact CD2-CD1 3.62Å; L490-I577 HydrophobicContact CG-CD1 4.49Å; I535-I577 HydrophobicContact CG2-CB 3.87Å; I535-I577 HydrophobicContact CG2-CD1 4.08Å; I535-I577 HydrophobicContact CG2-CG2 3.89Å; I535-I577 PolarHBondContact O-N 3.33Å; V536-I577 HydrophobicContact CG1-CG2 4.15Å; I577-H581 WeakPolarHBondContact O-CB 3.49Å; I577-H581 PolarHBondContact O-N 2.9Å; I577-H581 PolarHBondContact O-ND1 2.92Å
578	Y	92	Very high	89.1	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-73.8	-40.1	-179.1	-60	-42	0	0	0	111.8	I184 P185 F491 V536 G576 H581 I582	I184-Y578 HydrophobicContact CB-CD1 4.48Å; I184-Y578 HydrophobicContact CB-CE1 4.28Å; I184-Y578 HydrophobicContact CD1-CE1 4.16Å; I184-Y578 HydrophobicContact CD1-CE2 4.21Å; I184-Y578 WeakPolarHBondContact CD1-OH 2.84Å; I184-Y578 HydrophobicContact CG2-CD1 4.48Å; I184-Y578 HydrophobicContact CG2-CD2 3.98Å; I184-Y578 HydrophobicContact CG2-CE1 4.49Å; I184-Y578 HydrophobicContact CG2-CE2 3.98Å; I184-Y578 HydrophobicContact CG2-CG 4.25Å; P185-Y578 HydrophobicContact CG-CD1 3.93Å; P185-Y578 HydrophobicContact CG-CG 4.44Å; F491-Y578 WeakPolarHBondContact CE2-OH 3.25Å; V536-Y578 HydrophobicContact CB-CE2 4.04Å; V536-Y578 HydrophobicContact CG1-CE2 3.74Å; G576-Y578 PolarHBondContact O-N 3.29Å; G576-Y578 VanDerWaalsContact O-N 3.09Å; Y578-H581 CarbonylContact O-C 3.27Å; Y578-H581 PolarHBondContact O-N 2.72Å; Y578-I582 VanDerWaalsContact O-CG1 3.26Å; Y578-I582 WeakPolarHBondContact O-CG1 3.31Å; Y578-I582 PolarHBondContact O-N 3.07Å
579	D	89.7	Confident	88.5	Confident	38 Å²	38	31.9 Å²	31.9	20%	0.203	18%	0.18	C	C	.	.	H	α-helix	trans	-76	-38.4	-178.8	-61.8	-56.7	0	0	0	111.7	K188 G576 H581 I582 G583	K188-D579 WeakPolarHBondContact CD-OD1 3.4Å; K188-D579 WeakPolarHBondContact CE-OD1 3.49Å; K188-D579 VanDerWaalsContact NZ-CG 3.3Å; K188-D579 IonicContact NZ-OD1 2.7Å; K188-D579 PolarHBondContact NZ-OD1 3.45Å; K188-D579 IonicContact NZ-OD2 2.68Å; K188-D579 PolarHBondContact NZ-OD2 3.4Å; G576-D579 PolarHBondContact O-N 2.93Å; G576-D579 VanDerWaalsContact O-N 3.08Å; D579-H581 VanDerWaalsContact C-N 3.25Å; D579-H581 PolarHBondContact O-N 3.23Å; D579-I582 WeakPolarHBondContact O-CA 3.44Å; D579-I582 WeakPolarHBondContact O-CB 3.18Å; D579-I582 PolarHBondContact O-N 3.42Å; D579-G583 PolarHBondContact O-N 3.36Å
580	E	90.5	Very high	87.9	Confident	19 Å²	19	29 Å²	29	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-55.4	-41.8	166.8	178.9	83.1	-148.4	0	0	110.7	V370 S374 R378 G576 I582 G583 L584	V370-E580 HydrophobicContact CG1-CB 4.08Å; V370-E580 HydrophobicContact CG1-CG 4.08Å; S374-E580 VanDerWaalsContact CB-OE1 3.22Å; S374-E580 WeakPolarHBondContact CB-OE1 3.49Å; S374-E580 PolarHBondContact OG-OE1 3.3Å; R378-E580 IonicContact NH2-OE1 2.87Å; R378-E580 PolarHBondContact NH2-OE1 3.33Å; G576-E580 PolarHBondContact O-N 3.34Å; E580-I582 VanDerWaalsContact C-N 3.31Å; E580-I582 PolarHBondContact O-N 3.34Å; E580-G583 PolarHBondContact O-N 2.95Å; E580-L584 HydrophobicContact CG-CD1 4.13Å; E580-L584 WeakPolarHBondContact O-CB 3.43Å; E580-L584 VanDerWaalsContact O-CG 3.3Å; E580-L584 WeakPolarHBondContact O-CG 3.32Å; E580-L584 PolarHBondContact O-N 3.42Å
581	H	90.2	Very high	87.4	Confident	16 Å²	16	31.8 Å²	31.8	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-73.2	-19	176.3	-81.3	64.1	0	0	0	114.1	N373 T377 Y482 I577 Y578 D579 N585	N373-H581 PolarHBondContact ND2-CE1 2.89Å; N373-H581 VanDerWaalsContact ND2-CE1 3.3Å; T377-H581 PolarHBondContact OG1-NE2 3.44Å; Y482-H581 AromaticContact CE1-CD2 3.9Å; Y482-H581 AromaticContact CE1-CE1 3.72Å; Y482-H581 AromaticContact CE1-NE2 3.53Å; I577-H581 WeakPolarHBondContact O-CB 3.49Å; I577-H581 PolarHBondContact O-N 2.9Å; I577-H581 PolarHBondContact O-ND1 2.92Å; Y578-H581 CarbonylContact O-C 3.27Å; Y578-H581 PolarHBondContact O-N 2.72Å; D579-H581 VanDerWaalsContact C-N 3.25Å; D579-H581 PolarHBondContact O-N 3.23Å; H581-N585 WeakPolarHBondContact O-CB 3.38Å; H581-N585 PolarHBondContact O-N 2.81Å; H581-N585 PolarHBondContact O-ND2 3.4Å
582	I	88.3	Confident	86.8	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-77.3	-42.5	171.1	-72.7	167.9	0	0	0	109.5	P185 K188 Y578 D579 E580 N585 S586 M587 L589	P185-I582 HydrophobicContact CB-CD1 4.34Å; P185-I582 HydrophobicContact CB-CG1 3.93Å; K188-I582 HydrophobicContact CB-CD1 4.31Å; K188-I582 HydrophobicContact CD-CD1 3.75Å; K188-I582 HydrophobicContact CG-CD1 4.3Å; Y578-I582 VanDerWaalsContact O-CG1 3.26Å; Y578-I582 WeakPolarHBondContact O-CG1 3.31Å; Y578-I582 PolarHBondContact O-N 3.07Å; D579-I582 WeakPolarHBondContact O-CA 3.44Å; D579-I582 WeakPolarHBondContact O-CB 3.18Å; D579-I582 PolarHBondContact O-N 3.42Å; E580-I582 VanDerWaalsContact C-N 3.31Å; E580-I582 PolarHBondContact O-N 3.34Å; I582-N585 CarbonylContact O-C 3.59Å; I582-N585 PolarHBondContact O-N 3.41Å; I582-S586 PolarHBondContact O-N 2.85Å; I582-M587 HydrophobicContact CB-CE 4.21Å; I582-M587 HydrophobicContact CG1-CE 3.83Å; I582-M587 HydrophobicContact CG2-CB 3.98Å; I582-M587 HydrophobicContact CG2-CE 4.35Å; I582-M587 PolarHBondContact O-N 2.89Å; I582-M587 VanDerWaalsContact O-N 3.16Å; I582-L589 HydrophobicContact CD1-CD1 4.4Å; I582-L589 HydrophobicContact CD1-CD2 4.03Å; I582-L589 HydrophobicContact CG2-CB 3.61Å; I582-L589 HydrophobicContact CG2-CD2 4.23Å; I582-L589 HydrophobicContact CG2-CG 4.37Å
583	G	84.7	Confident	86.2	Confident	27 Å²	27	33.9 Å²	33.9	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-50.1	173	0	0	0	0	0	113.1	D579 E580 N585 S586	D579-G583 PolarHBondContact O-N 3.36Å; E580-G583 PolarHBondContact O-N 2.95Å; G583-N585 PolarHBondContact O-N 2.69Å; G583-N585 VanDerWaalsContact O-N 3.14Å; G583-S586 PolarHBondContact O-N 2.94Å
584	L	85.7	Confident	85.8	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.3	176.9	-69.6	173.2	0	0	0	113.8	P63 T377 R378 Q381 E580	P63-L584 HydrophobicContact CG-CD2 4.26Å; T377-L584 HydrophobicContact CG2-CD1 3.88Å; R378-L584 HydrophobicContact CG-CD2 3.66Å; Q381-L584 PolarHBondContact NE2-O 2.88Å; E580-L584 HydrophobicContact CG-CD1 4.13Å; E580-L584 WeakPolarHBondContact O-CB 3.43Å; E580-L584 VanDerWaalsContact O-CG 3.3Å; E580-L584 WeakPolarHBondContact O-CG 3.32Å; E580-L584 PolarHBondContact O-N 3.42Å
585	N	83.1	Confident	85.4	Confident	72 Å²	72	33.3 Å²	33.3	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	10.3	173	-75.7	-62.7	0	0	0	113.3	H581 I582 G583 M587	H581-N585 WeakPolarHBondContact O-CB 3.38Å; H581-N585 PolarHBondContact O-N 2.81Å; H581-N585 PolarHBondContact O-ND2 3.4Å; I582-N585 CarbonylContact O-C 3.59Å; I582-N585 PolarHBondContact O-N 3.41Å; G583-N585 PolarHBondContact O-N 2.69Å; G583-N585 VanDerWaalsContact O-N 3.14Å; N585-M587 HydrophobicContact CB-CE 4.06Å; N585-M587 HydrophobicContact CB-CG 3.99Å; N585-M587 HydrophobicContact CB-SD 4.41Å; N585-M587 WeakPolarHBondContact O-CG 3.37Å; N585-M587 PolarHBondContact O-N 3.42Å
586	S	79.8	Confident	84.9	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	27.7	176.5	-59.7	0	0	0	0	114.6	P63 L66 D68 I582 G583 K786	P63-S586 PolarHBondContact O-OG 3.32Å; L66-S586 WeakPolarHBondContact O-CA 3.4Å; L66-S586 WeakPolarHBondContact O-CB 3.48Å; L66-S586 PolarHBondContact O-OG 3.45Å; D68-S586 PolarHBondContact N-O 3.31Å; I582-S586 PolarHBondContact O-N 2.85Å; G583-S586 PolarHBondContact O-N 2.94Å; S586-K786 PolarHBondContact OG-NZ 3.35Å
587	M	80.6	Confident	84.4	Confident	17 Å²	17	33.5 Å²	33.5	8%	0.084	19%	0.188	C	C	.	.			trans	-89.6	129.4	-172.7	-59.7	-162.6	-72.8	0	0	112	I71 C189 L194 I196 I582 N585 L589	I71-M587 HydrophobicContact CD1-CB 4.44Å; I71-M587 HydrophobicContact CD1-CG 3.66Å; I71-M587 HydrophobicContact CD1-SD 4.06Å; C189-M587 VanDerWaalsContact SG-CE 3.54Å; L194-M587 HydrophobicContact CD1-CB 4.41Å; I196-M587 HydrophobicContact CD1-CE 4.42Å; I196-M587 HydrophobicContact CD1-SD 3.59Å; I196-M587 VanDerWaalsContact CD1-SD 3.59Å; I196-M587 HydrophobicContact CG1-SD 4.26Å; I582-M587 HydrophobicContact CB-CE 4.21Å; I582-M587 HydrophobicContact CG1-CE 3.83Å; I582-M587 HydrophobicContact CG2-CB 3.98Å; I582-M587 HydrophobicContact CG2-CE 4.35Å; I582-M587 PolarHBondContact O-N 2.89Å; I582-M587 VanDerWaalsContact O-N 3.16Å; N585-M587 HydrophobicContact CB-CE 4.06Å; N585-M587 HydrophobicContact CB-CG 3.99Å; N585-M587 HydrophobicContact CB-SD 4.41Å; N585-M587 WeakPolarHBondContact O-CG 3.37Å; N585-M587 PolarHBondContact O-N 3.42Å; M587-L589 PolarHBondContact O-N 3Å
588	A	79.6	Confident	83.8	Confident	7 Å²	7	33.6 Å²	33.6	6%	0.058	19%	0.188	C	C	.	.			trans	-76.2	57.2	-175.3	0	0	0	0	0	114	L67 L194 R761	L67-A588 HydrophobicContact CD2-CB 4.18Å; L194-A588 HydrophobicContact CD2-CB 4.38Å; A588-R761 HydrophobicContact CB-CG 4.48Å; A588-R761 WeakPolarHBondContact O-CD 3.29Å
589	L	83.5	Confident	83.5	Confident	16 Å²	16	38 Å²	38	8%	0.084	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.5	134.2	174.6	-167.7	85.3	0	0	0	110.3	K188 N192 I582 M587	K188-L589 HydrophobicContact CD-CD2 4.44Å; K188-L589 HydrophobicContact CG-CD1 4.42Å; N192-L589 HydrophobicContact CB-CD1 3.52Å; I582-L589 HydrophobicContact CD1-CD1 4.4Å; I582-L589 HydrophobicContact CD1-CD2 4.03Å; I582-L589 HydrophobicContact CG2-CB 3.61Å; I582-L589 HydrophobicContact CG2-CD2 4.23Å; I582-L589 HydrophobicContact CG2-CG 4.37Å; M587-L589 PolarHBondContact O-N 3Å
590	L	84.6	Confident	83.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-91.7	117.8	168.8	-62.5	-179	0	0	0	108.7	N192 Y735 F738 R739 R761 L764 R765	N192-L590 PolarHBondContact ND2-O 3.4Å; N192-L590 PolarHBondContact OD1-N 3.28Å; N192-L590 VanDerWaalsContact OD1-N 3.1Å; L590-Y735 HydrophobicContact CB-CE2 4.47Å; L590-Y735 WeakPolarHBondContact CB-OH 3.31Å; L590-Y735 HydrophobicContact CD2-CE2 3.99Å; L590-F738 HydrophobicContact CD1-CD1 3.83Å; L590-F738 HydrophobicContact CD1-CE1 4.07Å; L590-R739 PolarHBondContact O-NH1 2.95Å; L590-R761 HydrophobicContact CD1-CG 4.15Å; L590-R761 HydrophobicContact CD2-CG 4.26Å; L590-R761 HydrophobicContact CG-CG 4.03Å; L590-L764 HydrophobicContact CD2-CB 4.06Å; L590-R765 HydrophobicContact CD2-CB 4.42Å
591	P	82.9	Confident	83.2	Confident	57 Å²	57	41.4 Å²	41.4	37%	0.37	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-62.5	173.2	172.2	24.8	-34.2	0	0	0	113.4	Y735 R739	P591-Y735 WeakPolarHBondContact CD-OH 3.04Å; P591-Y735 WeakPolarHBondContact CG-OH 3.29Å; P591-Y735 PolarHBondContact O-OH 3.35Å; P591-R739 WeakPolarHBondContact O-CD 3.4Å; P591-R739 PolarHBondContact O-NE 3.37Å
592	W	79.9	Confident	83.2	Confident	121 Å²	121	47.2 Å²	47.2	46%	0.458	26%	0.255	S	S	.	.	S	Bend	trans	-62.1	-50.1	-178.6	-86.5	108.4	0	0	0	113.8	L290 E291 A294 R739	L290-W592 WeakPolarHBondContact O-CZ2 3.18Å; E291-W592 WeakPolarHBondContact O-CZ2 3.34Å; E291-W592 PolarHBondContact O-NE1 2.97Å; A294-W592 WeakPolarHBondContact O-CH2 3.43Å; W592-R739 VanDerWaalsContact CD2-NH2 3.28Å; W592-R739 VanDerWaalsContact CE3-NH2 3.29Å
593	T	79.8	Confident	83.4	Confident	101 Å²	101	47 Å²	47	62%	0.62	25%	0.254	S	S	*	.	S	Bend	trans	-110	147.1	176.7	44.3	0	0	0	0	110.5
594	P	83.2	Confident	83.7	Confident	20 Å²	20	51 Å²	51	13%	0.13	26%	0.262	C	S	.	.			trans	-71	156.8	164.5	32.1	-33.8	0	0	0	110.1	T732 Y735	P594-T732 HydrophobicContact CG-CG2 3.76Å; P594-Y735 HydrophobicContact CB-CD1 3.78Å; P594-Y735 HydrophobicContact CB-CD2 4.2Å; P594-Y735 HydrophobicContact CB-CE1 4.19Å; P594-Y735 HydrophobicContact CB-CG 3.8Å; P594-Y735 HydrophobicContact CG-CD1 3.96Å; P594-Y735 HydrophobicContact CG-CG 4.32Å
595	H	80.4	Confident	83.8	Confident	72 Å²	72	54 Å²	54	33%	0.333	28%	0.278	S	S	.	.			trans	-62.2	148.8	172.8	-169.2	-102.7	0	0	0	111	L597 S598 F769	H595-L597 VanDerWaalsContact C-N 3.27Å; H595-L597 PolarHBondContact ND1-N 3Å; H595-L597 PolarHBondContact O-N 2.9Å; H595-S598 WeakPolarHBondContact O-CB 3.48Å; H595-S598 PolarHBondContact O-N 2.9Å; H595-S598 PolarHBondContact O-OG 2.61Å; H595-F769 HydrophobicContact CB-CB 4.03Å; H595-F769 HydrophobicContact CB-CD2 3.75Å; H595-F769 HydrophobicContact CB-CE2 4.43Å; H595-F769 HydrophobicContact CB-CG 3.97Å; H595-F769 AromaticContact CG-CG 3.88Å; H595-F769 VanDerWaalsContact ND1-CB 3.3Å; H595-F769 WeakPolarHBondContact ND1-CB 3.45Å; H595-F769 AromaticContact ND1-CD1 3.91Å; H595-F769 AromaticContact ND1-CG 3.58Å
596	S	79.6	Confident	84.1	Confident	81 Å²	81	50.7 Å²	50.7	57%	0.566	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-54.1	-42.1	-177.3	54.1	0	0	0	0	112.8	S598 V599	S596-S598 PolarHBondContact O-N 3.33Å; S596-S598 VanDerWaalsContact O-N 3.09Å; S596-V599 PolarHBondContact O-N 3.33Å
597	L	80.6	Confident	84.5	Confident	28 Å²	28	51 Å²	51	15%	0.147	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.8	-9.6	177.7	-63.3	174.4	0	0	0	114.9	H595 V599 T600 F769 Y776	H595-L597 VanDerWaalsContact C-N 3.27Å; H595-L597 PolarHBondContact ND1-N 3Å; H595-L597 PolarHBondContact O-N 2.9Å; L597-V599 PolarHBondContact O-N 3.03Å; L597-V599 VanDerWaalsContact O-N 3.11Å; L597-T600 WeakPolarHBondContact O-CB 3.4Å; L597-T600 WeakPolarHBondContact O-CG2 3.14Å; L597-T600 PolarHBondContact O-N 3Å; L597-T600 PolarHBondContact O-OG1 3.02Å; L597-F769 HydrophobicContact CB-CD1 3.67Å; L597-F769 HydrophobicContact CB-CE1 3.76Å; L597-F769 HydrophobicContact CD1-CD1 3.91Å; L597-F769 HydrophobicContact CG-CD1 4.44Å; L597-Y776 HydrophobicContact CD1-CD1 3.59Å; L597-Y776 HydrophobicContact CD1-CE1 4.36Å; L597-Y776 HydrophobicContact CD1-CG 3.69Å; L597-Y776 HydrophobicContact CG-CD1 4.46Å
598	S	82.2	Confident	85	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.5	-27.5	174.1	61.1	0	0	0	0	112.6	H595 S596 T600 K601 M731 T732	H595-S598 WeakPolarHBondContact O-CB 3.48Å; H595-S598 PolarHBondContact O-N 2.9Å; H595-S598 PolarHBondContact O-OG 2.61Å; S596-S598 PolarHBondContact O-N 3.33Å; S596-S598 VanDerWaalsContact O-N 3.09Å; S598-T600 PolarHBondContact O-N 2.95Å; S598-T600 VanDerWaalsContact O-N 3.12Å; S598-K601 PolarHBondContact O-N 2.78Å; S598-K601 VanDerWaalsContact O-N 3.09Å; S598-M731 WeakPolarHBondContact O-CB 3.48Å; S598-T732 PolarHBondContact OG-OG1 3.25Å
599	V	85.6	Confident	85.2	Confident	94 Å²	94	56 Å²	56	57%	0.57	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-58.2	-26.7	175.7	-178	0	0	0	0	112.2	S596 L597 K601 T732	S596-V599 PolarHBondContact O-N 3.33Å; L597-V599 PolarHBondContact O-N 3.03Å; L597-V599 VanDerWaalsContact O-N 3.11Å; V599-K601 VanDerWaalsContact C-N 3.31Å; V599-K601 PolarHBondContact O-N 3.48Å; V599-T732 WeakPolarHBondContact CA-OG1 3.33Å; V599-T732 WeakPolarHBondContact CG2-OG1 3.5Å; V599-T732 PolarHBondContact N-OG1 2.83Å
600	T	84.8	Confident	85.5	Confident	74 Å²	74	60 Å²	60	45%	0.454	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-75.3	-14.5	180	69	0	0	0	0	114.3	L597 S598	L597-T600 WeakPolarHBondContact O-CB 3.4Å; L597-T600 WeakPolarHBondContact O-CG2 3.14Å; L597-T600 PolarHBondContact O-N 3Å; L597-T600 PolarHBondContact O-OG1 3.02Å; S598-T600 PolarHBondContact O-N 2.95Å; S598-T600 VanDerWaalsContact O-N 3.12Å
601	K	87.3	Confident	85.8	Confident	56 Å²	56	60.6 Å²	60.6	24%	0.243	32%	0.322	C	S	.	.			trans	-109.8	146.7	-176.8	-69.3	-60.2	-168.6	175.7	0	112.1	S598 V599 D605 T730 M731	S598-K601 PolarHBondContact O-N 2.78Å; S598-K601 VanDerWaalsContact O-N 3.09Å; V599-K601 VanDerWaalsContact C-N 3.31Å; V599-K601 PolarHBondContact O-N 3.48Å; K601-D605 HydrophobicContact CD-CB 3.87Å; K601-T730 CarbonylContact O-C 3.49Å; K601-T730 WeakPolarHBondContact O-CA 3.41Å; K601-M731 HydrophobicContact CB-CB 4.03Å; K601-M731 HydrophobicContact CB-SD 4.37Å; K601-M731 PolarHBondContact O-N 2.91Å
602	R	91.5	Very high	86.2	Confident	137 Å²	137	58.9 Å²	58.9	52%	0.517	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-112.7	163.5	179.1	-58.3	-175.4	-177	-140.5	-0.3	111.3	Y604 D605 L606 M729	R602-Y604 PolarHBondContact O-N 3.35Å; R602-Y604 VanDerWaalsContact O-N 3.17Å; R602-D605 PolarHBondContact N-OD2 3.1Å; R602-D605 WeakPolarHBondContact O-CB 3.19Å; R602-D605 PolarHBondContact O-N 2.77Å; R602-L606 WeakPolarHBondContact O-CG 3.43Å; R602-L606 PolarHBondContact O-N 2.86Å; R602-M729 CarbonylContact C-O 3.3Å; R602-M729 VanDerWaalsContact CA-O 3.26Å; R602-M729 WeakPolarHBondContact CA-O 3.48Å
603	A	92.7	Very high	86.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-52.6	-37.5	176.1	0	0	0	0	0	112.3	D605 L606 M607 V725 E727 M729 V734 V748 I759	A603-D605 VanDerWaalsContact C-N 3.31Å; A603-D605 PolarHBondContact O-N 3.15Å; A603-L606 PolarHBondContact O-N 3.09Å; A603-L606 VanDerWaalsContact O-N 3.13Å; A603-M607 WeakPolarHBondContact O-CB 3.42Å; A603-M607 PolarHBondContact O-N 3.1Å; A603-V725 HydrophobicContact CB-CG2 4.17Å; A603-E727 PolarHBondContact N-O 3.07Å; A603-M729 PolarHBondContact N-O 3.28Å; A603-V734 HydrophobicContact CB-CG2 4.07Å; A603-V748 HydrophobicContact CB-CG1 3.93Å; A603-V748 HydrophobicContact CB-CG2 4.22Å; A603-I759 HydrophobicContact CB-CD1 3.97Å
604	Y	90.5	Very high	87.6	Confident	113 Å²	113	49.4 Å²	49.4	44%	0.443	26%	0.264	S	S	.	.	H	α-helix	trans	-56	-36.5	171.9	-170.9	-87.4	0	0	0	114.5	R602 L606 M607 E727	R602-Y604 PolarHBondContact O-N 3.35Å; R602-Y604 VanDerWaalsContact O-N 3.17Å; Y604-L606 VanDerWaalsContact C-N 3.32Å; Y604-M607 HydrophobicContact CD2-CE 3.39Å; Y604-M607 HydrophobicContact CD2-SD 4.49Å; Y604-M607 HydrophobicContact CE2-CE 3.61Å; Y604-M607 HydrophobicContact CG-CE 4.03Å; Y604-E727 HydrophobicContact CD2-CB 4.41Å; Y604-E727 PolarHBondContact N-O 3.01Å
605	D	88.1	Confident	88.1	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	27%	0.269	S	S	.	.	H	α-helix	trans	-75	-23.7	178.2	-61.7	-64.1	0	0	0	113	K601 R602 A603	K601-D605 HydrophobicContact CD-CB 3.87Å; R602-D605 PolarHBondContact N-OD2 3.1Å; R602-D605 WeakPolarHBondContact O-CB 3.19Å; R602-D605 PolarHBondContact O-N 2.77Å; A603-D605 VanDerWaalsContact C-N 3.31Å; A603-D605 PolarHBondContact O-N 3.15Å
606	L	88.1	Confident	88.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-93.8	-32.2	-173.6	-56	170.1	0	0	0	112.3	R602 A603 Y604 S608 M731 I759 D763 L764 F767	R602-L606 WeakPolarHBondContact O-CG 3.43Å; R602-L606 PolarHBondContact O-N 2.86Å; A603-L606 PolarHBondContact O-N 3.09Å; A603-L606 VanDerWaalsContact O-N 3.13Å; Y604-L606 VanDerWaalsContact C-N 3.32Å; L606-S608 PolarHBondContact O-N 3.45Å; L606-M731 HydrophobicContact CD1-CB 3.76Å; L606-M731 HydrophobicContact CD1-CG 3.67Å; L606-M731 HydrophobicContact CD2-CB 4.4Å; L606-M731 HydrophobicContact CD2-CE 4.09Å; L606-M731 HydrophobicContact CD2-CG 3.93Å; L606-M731 HydrophobicContact CD2-SD 3.91Å; L606-M731 HydrophobicContact CG-CG 4.4Å; L606-I759 HydrophobicContact CB-CD1 3.84Å; L606-I759 HydrophobicContact CB-CG1 4.1Å; L606-I759 HydrophobicContact CD1-CD1 4.08Å; L606-D763 WeakPolarHBondContact O-CB 3.42Å; L606-L764 HydrophobicContact CD1-CD2 4.11Å; L606-F767 HydrophobicContact CD2-CD2 3.83Å; L606-F767 HydrophobicContact CD2-CE2 3.59Å
607	M	90.1	Very high	89.4	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.049	25%	0.25	C	S	.	.			trans	-69.9	131.1	-164.8	70.3	-171.9	-174.5	0	0	113.3	A603 Y604 N609 V748 R756 I759	A603-M607 WeakPolarHBondContact O-CB 3.42Å; A603-M607 PolarHBondContact O-N 3.1Å; Y604-M607 HydrophobicContact CD2-CE 3.39Å; Y604-M607 HydrophobicContact CD2-SD 4.49Å; Y604-M607 HydrophobicContact CE2-CE 3.61Å; Y604-M607 HydrophobicContact CG-CE 4.03Å; M607-N609 PolarHBondContact O-ND2 3.34Å; M607-N609 VanDerWaalsContact O-ND2 3.07Å; M607-V748 HydrophobicContact CB-CB 4.33Å; M607-V748 HydrophobicContact CB-CG2 3.85Å; M607-V748 HydrophobicContact SD-CB 3.84Å; M607-V748 HydrophobicContact SD-CG1 3.7Å; M607-V748 HydrophobicContact SD-CG2 4.35Å; M607-R756 HydrophobicContact CE-CB 3.95Å; M607-R756 HydrophobicContact SD-CB 3.97Å; M607-I759 HydrophobicContact CB-CG1 3.97Å
608	S	89.3	Confident	90	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-68	132.3	167.9	-86.6	0	0	0	0	110.1	L606 G757 I758 D763	L606-S608 PolarHBondContact O-N 3.45Å; S608-G757 WeakPolarHBondContact O-CA 3.45Å; S608-I758 PolarHBondContact N-O 3.14Å; S608-I758 PolarHBondContact O-N 2.58Å; S608-I758 VanDerWaalsContact O-N 3.16Å; S608-D763 PolarHBondContact OG-OD1 2.97Å
609	N	85.3	Confident	90.5	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	26%	0.263	S	S	.	.			trans	-146.7	153.6	176.1	59.6	84.7	0	0	0	109	M607 F647	M607-N609 PolarHBondContact O-ND2 3.34Å; M607-N609 VanDerWaalsContact O-ND2 3.07Å; N609-F647 HydrophobicContact CB-CD1 4.34Å
610	P	89.3	Confident	90.8	Very high	100 Å²	100	47.9 Å²	47.9	65%	0.649	24%	0.236	S	C	*	.	S	Bend	cis	-67.6	159.1	-1.9	31.5	-37.4	0	0	0	113.2	Y649	P610-Y649 WeakPolarHBondContact CA-OH 3.34Å; P610-Y649 HydrophobicContact CB-CE1 4.49Å; P610-Y649 WeakPolarHBondContact CB-OH 3.49Å
611	V	90.5	Very high	91.1	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.079	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-97.2	132.1	179.6	-176	0	0	0	0	110.4	Y613 P636 Y649 V755 G757 I758	V611-Y613 WeakPolarHBondContact O-CD1 3.32Å; V611-P636 HydrophobicContact CG1-CG 3.69Å; V611-Y649 HydrophobicContact CB-CD2 3.73Å; V611-Y649 HydrophobicContact CB-CE2 4.07Å; V611-Y649 HydrophobicContact CB-CG 4.13Å; V611-Y649 HydrophobicContact CG2-CD2 3.76Å; V611-Y649 HydrophobicContact CG2-CE2 3.91Å; V611-V755 HydrophobicContact CB-CG1 4.48Å; V611-V755 HydrophobicContact CG1-CG1 4.14Å; V611-V755 HydrophobicContact CG2-CG1 4.24Å; V611-G757 VanDerWaalsContact CG2-CA 3.41Å; V611-I758 HydrophobicContact CG1-CD1 4.05Å; V611-I758 HydrophobicContact CG1-CG1 4.31Å
612	V	92	Very high	91.4	Very high	21 Å²	21	46.3 Å²	46.3	13%	0.127	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-85.5	116.2	166.4	-177.6	0	0	0	0	108.4	N630 F635 P636	V612-N630 HydrophobicContact CG2-CB 3.69Å; V612-F635 HydrophobicContact CB-CD1 4.33Å; V612-F635 HydrophobicContact CB-CE1 4.44Å; V612-F635 HydrophobicContact CG1-CD1 3.99Å; V612-F635 HydrophobicContact CG1-CE1 4Å; V612-P636 VanDerWaalsContact O-CD 3.29Å; V612-P636 WeakPolarHBondContact O-CD 3.39Å
613	Y	92.9	Very high	91.4	Very high	22 Å²	22	39.8 Å²	39.8	9%	0.086	20%	0.204	C	C	.	.			trans	-121.7	160	-175.4	62.9	-94.8	0	0	0	111.1	V611 Y615 R626 V638 T642 Y649	V611-Y613 WeakPolarHBondContact O-CD1 3.32Å; Y613-Y615 HydrophobicContact CD2-CE1 4.31Å; Y613-Y615 AromaticContact CE2-CE1 3.81Å; Y613-Y615 HydrophobicContact CE2-CE1 3.81Å; Y613-Y615 AromaticContact CE2-CZ 3.82Å; Y613-R626 PolarHBondContact OH-NH1 3.49Å; Y613-V638 HydrophobicContact CD2-CG2 3.31Å; Y613-V638 HydrophobicContact CE2-CG2 4.15Å; Y613-V638 HydrophobicContact CG-CG2 3.77Å; Y613-T642 HydrophobicContact CE1-CG2 4.45Å; Y613-T642 HydrophobicContact CE2-CG2 3.9Å; Y613-Y649 AromaticContact CD1-CD1 3.96Å; Y613-Y649 HydrophobicContact CD1-CD1 3.96Å; Y613-Y649 HydrophobicContact CD1-CG 4.19Å; Y613-Y649 AromaticContact CE1-CD1 3.82Å; Y613-Y649 HydrophobicContact CE1-CD1 3.82Å; Y613-Y649 HydrophobicContact CE1-CG 4.45Å
614	L	95	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-124	152.7	178.9	-58.6	176	0	0	0	110.8	M618 L623 I627 F635 P636 V637 V638 I656 L661 L714	L614-M618 HydrophobicContact CB-SD 3.95Å; L614-M618 HydrophobicContact CD2-CE 4.2Å; L614-M618 HydrophobicContact CD2-SD 3.89Å; L614-M618 HydrophobicContact CG-SD 4.46Å; L614-L623 HydrophobicContact CD1-CD1 4.18Å; L614-L623 HydrophobicContact CD2-CD1 4.17Å; L614-L623 HydrophobicContact CD2-CG 4.26Å; L614-I627 HydrophobicContact CD1-CD1 4.4Å; L614-I627 HydrophobicContact CD2-CD1 4.12Å; L614-I627 HydrophobicContact CD2-CG1 4.33Å; L614-F635 HydrophobicContact CD1-CB 3.78Å; L614-F635 HydrophobicContact CD1-CD2 4.33Å; L614-F635 HydrophobicContact CD1-CG 4.09Å; L614-F635 HydrophobicContact CG-CB 4.02Å; L614-F635 HydrophobicContact CG-CG 4.45Å; L614-P636 PolarHBondContact N-O 2.97Å; L614-V637 CarbonylContact O-C 3.59Å; L614-V637 VanDerWaalsContact O-CA 3.31Å; L614-V637 WeakPolarHBondContact O-CA 3.25Å; L614-V638 PolarHBondContact O-N 3.11Å; L614-I656 HydrophobicContact CD1-CG2 4.06Å; L614-L661 HydrophobicContact CD1-CD2 4.05Å; L614-L714 HydrophobicContact CB-CD1 3.91Å; L614-L714 HydrophobicContact CD1-CD1 3.99Å
615	Y	95	Very high	91.4	Very high	59 Å²	59	43 Å²	43	23%	0.231	23%	0.225	C	C	.	.			trans	-90	156.1	171.8	-58.8	-54.3	0	0	0	110.9	Y613 I617 E622 R626 V638 L714	Y613-Y615 HydrophobicContact CD2-CE1 4.31Å; Y613-Y615 AromaticContact CE2-CE1 3.81Å; Y613-Y615 HydrophobicContact CE2-CE1 3.81Å; Y613-Y615 AromaticContact CE2-CZ 3.82Å; Y615-I617 PolarHBondContact O-N 3.12Å; Y615-E622 WeakPolarHBondContact CE2-OE1 3.22Å; Y615-R626 PolarHBondContact OH-NH2 3.22Å; Y615-V638 HydrophobicContact CD1-CG2 4.33Å; Y615-V638 HydrophobicContact CE1-CG2 4.43Å; Y615-L714 WeakPolarHBondContact O-CD1 3.22Å
616	P	93.7	Very high	91.4	Very high	18 Å²	18	43 Å²	43	12%	0.117	22%	0.22	C	C	.	.	S	Bend	trans	-67.1	-27.2	-176.6	-14.3	26.8	0	0	0	113.3	V637 V638 V639 L714 R715	P616-V637 HydrophobicContact CB-CG1 4.02Å; P616-V637 HydrophobicContact CG-CG1 3.86Å; P616-V638 WeakPolarHBondContact CD-O 3.28Å; P616-V639 HydrophobicContact CG-CG2 3.36Å; P616-L714 PolarHBondContact O-N 3.08Å; P616-R715 HydrophobicContact CB-CG 3.58Å
617	I	93.2	Very high	91.4	Very high	77 Å²	77	43 Å²	43	40%	0.395	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.6	168.9	-52.5	172.6	0	0	0	106.6	Y615 L671 Y711 L712	Y615-I617 PolarHBondContact O-N 3.12Å; I617-L671 HydrophobicContact CG2-CD1 4.22Å; I617-Y711 HydrophobicContact CG2-CD1 4.21Å; I617-L712 WeakPolarHBondContact CA-O 3.3Å
618	M	92.7	Very high	91	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	166.7	177.6	60.2	-169.8	-55.7	0	0	111.6	L614 E622 L623 Y711 L712	L614-M618 HydrophobicContact CB-SD 3.95Å; L614-M618 HydrophobicContact CD2-CE 4.2Å; L614-M618 HydrophobicContact CD2-SD 3.89Å; L614-M618 HydrophobicContact CG-SD 4.46Å; M618-E622 HydrophobicContact CE-CB 4.03Å; M618-E622 HydrophobicContact CE-CG 3.97Å; M618-L623 HydrophobicContact CE-CB 3.78Å; M618-L623 HydrophobicContact CG-CB 4.41Å; M618-L623 HydrophobicContact CG-CD1 4.48Å; M618-L623 HydrophobicContact SD-CB 4.07Å; M618-L623 HydrophobicContact SD-CD1 3.97Å; M618-L623 HydrophobicContact SD-CG 4.46Å; M618-Y711 WeakPolarHBondContact O-CA 3.33Å; M618-L712 PolarHBondContact N-O 3.38Å; M618-L712 PolarHBondContact O-N 3.45Å
619	R	92.4	Very high	90.6	Very high	107 Å²	107	49.5 Å²	49.5	40%	0.404	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	148.6	171.1	-67.9	-172.1	-178.9	-171.5	0.3	110.6	S621 E622 L623 A710 Y711	R619-S621 VanDerWaalsContact C-N 3.3Å; R619-S621 WeakPolarHBondContact CB-OG 3.13Å; R619-S621 PolarHBondContact O-N 3.02Å; R619-E622 HydrophobicContact CB-CB 4.47Å; R619-E622 PolarHBondContact O-N 3.38Å; R619-L623 PolarHBondContact O-N 3.25Å; R619-L623 VanDerWaalsContact O-N 3.09Å; R619-A710 WeakPolarHBondContact CA-O 3.26Å; R619-Y711 HydrophobicContact CG-CD1 4.05Å; R619-Y711 HydrophobicContact CG-CD2 4.23Å; R619-Y711 HydrophobicContact CG-CE1 3.69Å; R619-Y711 HydrophobicContact CG-CE2 3.87Å; R619-Y711 HydrophobicContact CG-CG 4.32Å; R619-Y711 PolarHBondContact NE-OH 3.45Å; R619-Y711 PolarHBondContact NH2-OH 2.92Å; R619-Y711 VanDerWaalsContact NH2-OH 3.16Å
620	V	92.3	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-41.1	175.4	174.1	0	0	0	0	110.7	E622 L623 V624 L665 F670 L703 D707 M708 A710 L712	V620-E622 PolarHBondContact O-N 3.2Å; V620-L623 WeakPolarHBondContact O-CB 3.1Å; V620-L623 PolarHBondContact O-N 3.42Å; V620-L623 VanDerWaalsContact O-N 3.14Å; V620-V624 HydrophobicContact CG1-CG2 4.27Å; V620-V624 WeakPolarHBondContact O-CG2 3.46Å; V620-V624 PolarHBondContact O-N 2.83Å; V620-L665 HydrophobicContact CG1-CD2 4.19Å; V620-L665 HydrophobicContact CG2-CD2 4.48Å; V620-F670 HydrophobicContact CG2-CD1 3.98Å; V620-F670 HydrophobicContact CG2-CE1 3.52Å; V620-F670 HydrophobicContact CG2-CZ 4.1Å; V620-L703 HydrophobicContact CG1-CD1 3.76Å; V620-D707 WeakPolarHBondContact CB-O 3.48Å; V620-D707 WeakPolarHBondContact CG1-O 3.22Å; V620-D707 WeakPolarHBondContact CG2-O 3.38Å; V620-M708 HydrophobicContact CG1-SD 4.24Å; V620-A710 HydrophobicContact CG2-CB 4.34Å; V620-A710 PolarHBondContact N-O 2.9Å; V620-L712 HydrophobicContact CG2-CB 4.43Å
621	S	91.8	Very high	90	Very high	41 Å²	41	49 Å²	49	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-51.1	-52.3	171.6	33.9	0	0	0	0	113.6	R619 L623 V624 E625 M708	R619-S621 VanDerWaalsContact C-N 3.3Å; R619-S621 WeakPolarHBondContact CB-OG 3.13Å; R619-S621 PolarHBondContact O-N 3.02Å; S621-L623 VanDerWaalsContact C-N 3.29Å; S621-L623 PolarHBondContact O-N 3.39Å; S621-V624 PolarHBondContact O-N 3.48Å; S621-E625 PolarHBondContact O-N 3.4Å; S621-M708 VanDerWaalsContact CB-O 3.29Å; S621-M708 WeakPolarHBondContact CB-O 3.31Å; S621-M708 PolarHBondContact N-O 3.41Å; S621-M708 PolarHBondContact OG-O 3.45Å
622	E	92.2	Very high	89.8	Confident	55 Å²	55	52.2 Å²	52.2	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-36.8	177.5	-166.5	-162.3	165.5	0	0	111.9	Y615 M618 R619 V620 E625 R626	Y615-E622 WeakPolarHBondContact CE2-OE1 3.22Å; M618-E622 HydrophobicContact CE-CB 4.03Å; M618-E622 HydrophobicContact CE-CG 3.97Å; R619-E622 HydrophobicContact CB-CB 4.47Å; R619-E622 PolarHBondContact O-N 3.38Å; V620-E622 PolarHBondContact O-N 3.2Å; E622-E625 PolarHBondContact O-N 2.88Å; E622-R626 WeakPolarHBondContact O-CG 3.4Å; E622-R626 PolarHBondContact O-N 3Å; E622-R626 IonicContact OE1-CZ 3.68Å; E622-R626 IonicContact OE1-NE 3.79Å; E622-R626 PolarHBondContact OE1-NE 3.45Å; E622-R626 IonicContact OE1-NH2 2.72Å; E622-R626 PolarHBondContact OE1-NH2 2.79Å
623	L	92.2	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-40	177	-179.5	141.1	0	0	0	111.8	L614 M618 R619 V620 S621 I627 L661 L665 L700 L712	L614-L623 HydrophobicContact CD1-CD1 4.18Å; L614-L623 HydrophobicContact CD2-CD1 4.17Å; L614-L623 HydrophobicContact CD2-CG 4.26Å; M618-L623 HydrophobicContact CE-CB 3.78Å; M618-L623 HydrophobicContact CG-CB 4.41Å; M618-L623 HydrophobicContact CG-CD1 4.48Å; M618-L623 HydrophobicContact SD-CB 4.07Å; M618-L623 HydrophobicContact SD-CD1 3.97Å; M618-L623 HydrophobicContact SD-CG 4.46Å; R619-L623 PolarHBondContact O-N 3.25Å; R619-L623 VanDerWaalsContact O-N 3.09Å; V620-L623 WeakPolarHBondContact O-CB 3.1Å; V620-L623 PolarHBondContact O-N 3.42Å; V620-L623 VanDerWaalsContact O-N 3.14Å; S621-L623 VanDerWaalsContact C-N 3.29Å; S621-L623 PolarHBondContact O-N 3.39Å; L623-I627 HydrophobicContact CD1-CD1 4.49Å; L623-I627 HydrophobicContact CD2-CD1 3.88Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 WeakPolarHBondContact O-CB 3.42Å; L623-I627 VanDerWaalsContact O-CG1 3.3Å; L623-I627 WeakPolarHBondContact O-CG1 3.29Å; L623-I627 PolarHBondContact O-N 3.42Å; L623-L661 HydrophobicContact CD1-CD1 3.82Å; L623-L661 HydrophobicContact CD1-CD2 4.12Å; L623-L661 HydrophobicContact CD2-CD1 4.41Å; L623-L661 HydrophobicContact CD2-CD2 4.28Å; L623-L665 HydrophobicContact CD2-CD1 4.05Å; L623-L700 HydrophobicContact CD2-CD2 4.33Å; L623-L712 HydrophobicContact CD1-CD2 3.92Å
624	V	91.5	Very high	89.6	Confident	26 Å²	26	53.7 Å²	53.7	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-47.4	174	-177.4	0	0	0	0	110.1	V620 S621 R626 I627 A628 L700 L703 M708	V620-V624 HydrophobicContact CG1-CG2 4.27Å; V620-V624 WeakPolarHBondContact O-CG2 3.46Å; V620-V624 PolarHBondContact O-N 2.83Å; S621-V624 PolarHBondContact O-N 3.48Å; V624-R626 PolarHBondContact O-N 2.9Å; V624-I627 PolarHBondContact O-N 3.43Å; V624-A628 VanDerWaalsContact O-CB 3.25Å; V624-A628 WeakPolarHBondContact O-CB 3.25Å; V624-A628 PolarHBondContact O-N 3.36Å; V624-L700 HydrophobicContact CB-CD2 4.2Å; V624-L700 HydrophobicContact CG1-CD2 4.24Å; V624-L700 HydrophobicContact CG2-CD2 3.52Å; V624-L703 HydrophobicContact CG2-CD1 3.88Å; V624-M708 HydrophobicContact CB-CE 4.41Å; V624-M708 HydrophobicContact CB-SD 4.34Å; V624-M708 HydrophobicContact CG1-CE 4.29Å; V624-M708 HydrophobicContact CG2-CE 3.85Å; V624-M708 HydrophobicContact CG2-SD 3.63Å
625	E	90.8	Very high	89.6	Confident	155 Å²	155	53.7 Å²	53.7	72%	0.724	27%	0.271	S	S	*	.	H	α-helix	trans	-59.1	-44.4	-179.4	-172.5	173.6	-156	0	0	112.5	S621 E622 I627	S621-E625 PolarHBondContact O-N 3.4Å; E622-E625 PolarHBondContact O-N 2.88Å; E625-I627 PolarHBondContact O-N 3.49Å
626	R	88.4	Confident	89.6	Confident	65 Å²	65	50.9 Å²	50.9	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-32.9	177.2	-71.9	176.7	-177	-93.4	-0.6	113.7	Y613 Y615 E622 V624	Y613-R626 PolarHBondContact OH-NH1 3.49Å; Y615-R626 PolarHBondContact OH-NH2 3.22Å; E622-R626 WeakPolarHBondContact O-CG 3.4Å; E622-R626 PolarHBondContact O-N 3Å; E622-R626 IonicContact OE1-CZ 3.68Å; E622-R626 IonicContact OE1-NE 3.79Å; E622-R626 PolarHBondContact OE1-NE 3.45Å; E622-R626 IonicContact OE1-NH2 2.72Å; E622-R626 PolarHBondContact OE1-NH2 2.79Å; V624-R626 PolarHBondContact O-N 2.9Å
627	I	89.3	Confident	89.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-95.8	-27.8	-172.8	-65.7	179.2	0	0	0	113.2	L614 L623 V624 E625 N629 N630 L631 F635 L661 L696 L700	L614-I627 HydrophobicContact CD1-CD1 4.4Å; L614-I627 HydrophobicContact CD2-CD1 4.12Å; L614-I627 HydrophobicContact CD2-CG1 4.33Å; L623-I627 HydrophobicContact CD1-CD1 4.49Å; L623-I627 HydrophobicContact CD2-CD1 3.88Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 WeakPolarHBondContact O-CB 3.42Å; L623-I627 VanDerWaalsContact O-CG1 3.3Å; L623-I627 WeakPolarHBondContact O-CG1 3.29Å; L623-I627 PolarHBondContact O-N 3.42Å; V624-I627 PolarHBondContact O-N 3.43Å; E625-I627 PolarHBondContact O-N 3.49Å; I627-N629 VanDerWaalsContact C-N 3.28Å; I627-N629 PolarHBondContact O-N 3.33Å; I627-N629 VanDerWaalsContact O-N 3.1Å; I627-N630 CarbonylContact O-C 3.55Å; I627-N630 PolarHBondContact O-N 3.1Å; I627-L631 HydrophobicContact CG2-CD2 3.93Å; I627-F635 HydrophobicContact CD1-CE1 4.34Å; I627-F635 HydrophobicContact CD1-CE2 4.11Å; I627-F635 HydrophobicContact CD1-CZ 4Å; I627-F635 HydrophobicContact CG1-CE1 4.05Å; I627-F635 HydrophobicContact CG1-CZ 4.05Å; I627-F635 HydrophobicContact CG2-CZ 4.08Å; I627-L661 HydrophobicContact CD1-CD2 3.52Å; I627-L696 HydrophobicContact CD1-CD2 4.31Å; I627-L696 HydrophobicContact CG2-CD2 3.85Å; I627-L696 HydrophobicContact CG2-CG 4.41Å; I627-L700 HydrophobicContact CG2-CD1 4Å
628	A	81.6	Confident	89.8	Confident	57 Å²	57	46.4 Å²	46.4	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-52.3	-41.6	-169	0	0	0	0	0	114.2	V624	V624-A628 VanDerWaalsContact O-CB 3.25Å; V624-A628 WeakPolarHBondContact O-CB 3.25Å; V624-A628 PolarHBondContact O-N 3.36Å
629	N	79.8	Confident	89.9	Confident	147 Å²	147	49.5 Å²	49.5	79%	0.786	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.2	178.7	-65.5	-45.1	0	0	0	113.8	I627	I627-N629 VanDerWaalsContact C-N 3.28Å; I627-N629 PolarHBondContact O-N 3.33Å; I627-N629 VanDerWaalsContact O-N 3.1Å
630	N	81	Confident	89.7	Confident	69 Å²	69	46.7 Å²	46.7	37%	0.369	26%	0.259	S	S	.	.			trans	-137.8	71.3	-168.3	-72.3	-53.9	0	0	0	111.4	V612 I627 H632	V612-N630 HydrophobicContact CG2-CB 3.69Å; I627-N630 CarbonylContact O-C 3.55Å; I627-N630 PolarHBondContact O-N 3.1Å; N630-H632 PolarHBondContact O-N 2.93Å
631	L	80.7	Confident	89.2	Confident	92 Å²	92	51.6 Å²	51.6	48%	0.482	29%	0.293	S	S	.	.			trans	-71.7	68.4	174.5	-70.5	166.6	0	0	0	111.5	I627 L696 L700	I627-L631 HydrophobicContact CG2-CD2 3.93Å; L631-L696 HydrophobicContact CD2-CB 4.34Å; L631-L696 HydrophobicContact CD2-CD2 4.49Å; L631-L696 HydrophobicContact CD2-CG 4.29Å; L631-L700 HydrophobicContact CD2-CD1 4.25Å
632	H	88.1	Confident	88.8	Confident	82 Å²	82	51.8 Å²	51.8	38%	0.38	29%	0.293	S	S	.	.			trans	-77.3	164.1	171.1	-57.8	-30.8	0	0	0	111.6	N630 F635 S658	N630-H632 PolarHBondContact O-N 2.93Å; H632-F635 HydrophobicContact CB-CE1 3.92Å; H632-F635 HydrophobicContact CB-CZ 4.1Å; H632-F635 WeakPolarHBondContact O-CZ 3.32Å; H632-S658 WeakPolarHBondContact O-CB 3.33Å
633	H	88.9	Confident	88.4	Confident	69 Å²	69	51.9 Å²	51.9	32%	0.319	30%	0.295	S	S	.	.	S	Bend	trans	-92.5	-8.8	-174.7	-66.9	97.3	0	0	0	114.7	E72 S658 R744	E72-H633 IonicContact OE1-NE2 3.18Å; E72-H633 IonicContact OE2-CD2 3.84Å; E72-H633 IonicContact OE2-NE2 2.7Å; H633-S658 WeakPolarHBondContact CA-OG 3.19Å; H633-S658 PolarHBondContact O-N 3.49Å; H633-S658 PolarHBondContact O-OG 3.47Å; H633-R744 PolarHBondContact CD2-NH2 3.41Å; H633-R744 VanDerWaalsContact CG-NH2 3.28Å
634	G	91.3	Very high	87.7	Confident	5 Å²	5	55.7 Å²	55.7	5%	0.052	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	146	175.9	0	0	0	0	0	110.5	I656	G634-I656 CarbonylContact C-O 3.13Å; G634-I656 WeakPolarHBondContact CA-O 3.4Å
635	F	94.5	Very high	87	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.9	-174.4	-55	-84.3	0	0	0	109.6	V612 L614 I627 H632 M655 I656 L661 L696	V612-F635 HydrophobicContact CB-CD1 4.33Å; V612-F635 HydrophobicContact CB-CE1 4.44Å; V612-F635 HydrophobicContact CG1-CD1 3.99Å; V612-F635 HydrophobicContact CG1-CE1 4Å; L614-F635 HydrophobicContact CD1-CB 3.78Å; L614-F635 HydrophobicContact CD1-CD2 4.33Å; L614-F635 HydrophobicContact CD1-CG 4.09Å; L614-F635 HydrophobicContact CG-CB 4.02Å; L614-F635 HydrophobicContact CG-CG 4.45Å; I627-F635 HydrophobicContact CD1-CE1 4.34Å; I627-F635 HydrophobicContact CD1-CE2 4.11Å; I627-F635 HydrophobicContact CD1-CZ 4Å; I627-F635 HydrophobicContact CG1-CE1 4.05Å; I627-F635 HydrophobicContact CG1-CZ 4.05Å; I627-F635 HydrophobicContact CG2-CZ 4.08Å; H632-F635 HydrophobicContact CB-CE1 3.92Å; H632-F635 HydrophobicContact CB-CZ 4.1Å; H632-F635 WeakPolarHBondContact O-CZ 3.32Å; F635-M655 WeakPolarHBondContact O-CA 3.33Å; F635-M655 VanDerWaalsContact O-CG 3.3Å; F635-M655 WeakPolarHBondContact O-CG 3.48Å; F635-I656 HydrophobicContact CB-CG2 4.37Å; F635-I656 PolarHBondContact N-O 3.39Å; F635-I656 PolarHBondContact O-N 2.89Å; F635-L661 HydrophobicContact CD2-CD2 4.36Å; F635-L661 HydrophobicContact CE2-CD2 4.36Å; F635-L696 HydrophobicContact CE2-CD2 3.91Å; F635-L696 HydrophobicContact CZ-CD2 4.24Å
636	P	95.6	Very high	86.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.6	171.2	32.3	-29.5	0	0	0	109.6	V611 V612 L614 V638 L652 V755 I758	V611-P636 HydrophobicContact CG1-CG 3.69Å; V612-P636 VanDerWaalsContact O-CD 3.29Å; V612-P636 WeakPolarHBondContact O-CD 3.39Å; L614-P636 PolarHBondContact N-O 2.97Å; P636-V638 HydrophobicContact CB-CG1 4.34Å; P636-L652 HydrophobicContact CB-CD1 3.87Å; P636-V755 HydrophobicContact CB-CG2 4.38Å; P636-V755 HydrophobicContact CG-CG1 4.38Å; P636-I758 HydrophobicContact CG-CD1 4.04Å
637	V	95.6	Very high	86	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126	172.4	-175.4	0	0	0	0	107.9	L614 P616 V653 G654 I656 L714 M718	L614-V637 CarbonylContact O-C 3.59Å; L614-V637 VanDerWaalsContact O-CA 3.31Å; L614-V637 WeakPolarHBondContact O-CA 3.25Å; P616-V637 HydrophobicContact CB-CG1 4.02Å; P616-V637 HydrophobicContact CG-CG1 3.86Å; V637-V653 PolarHBondContact O-N 3.37Å; V637-G654 PolarHBondContact N-O 3.3Å; V637-G654 PolarHBondContact O-N 3.36Å; V637-G654 VanDerWaalsContact O-N 3.16Å; V637-I656 HydrophobicContact CG2-CG2 4.19Å; V637-L714 HydrophobicContact CG2-CD1 4.12Å; V637-M718 HydrophobicContact CB-SD 3.83Å; V637-M718 HydrophobicContact CG1-SD 3.8Å; V637-M718 HydrophobicContact CG2-CB 4.24Å; V637-M718 HydrophobicContact CG2-SD 3.94Å
638	V	95.3	Very high	85.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.3	-166.9	-61.7	0	0	0	0	113.4	Y613 L614 Y615 P616 P636 Y649 T651 V755	Y613-V638 HydrophobicContact CD2-CG2 3.31Å; Y613-V638 HydrophobicContact CE2-CG2 4.15Å; Y613-V638 HydrophobicContact CG-CG2 3.77Å; L614-V638 PolarHBondContact O-N 3.11Å; Y615-V638 HydrophobicContact CD1-CG2 4.33Å; Y615-V638 HydrophobicContact CE1-CG2 4.43Å; P616-V638 WeakPolarHBondContact CD-O 3.28Å; P636-V638 HydrophobicContact CB-CG1 4.34Å; V638-Y649 WeakPolarHBondContact CB-O 3.31Å; V638-Y649 VanDerWaalsContact CG2-O 3.3Å; V638-Y649 WeakPolarHBondContact CG2-O 3.24Å; V638-T651 CarbonylContact C-O 3.59Å; V638-T651 WeakPolarHBondContact CA-O 3.35Å; V638-T651 WeakPolarHBondContact CB-O 3.34Å; V638-V755 HydrophobicContact CG1-CB 4.39Å; V638-V755 HydrophobicContact CG1-CG2 3.71Å
639	V	94.2	Very high	86.2	Confident	69 Å²	69	59.8 Å²	59.8	42%	0.418	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.4	177.3	172.8	0	0	0	0	111.5	P616 T651 V653	P616-V639 HydrophobicContact CG-CG2 3.36Å; V639-T651 PolarHBondContact N-O 3.47Å; V639-T651 WeakPolarHBondContact O-CB 3.42Å; V639-T651 PolarHBondContact O-N 2.87Å; V639-T651 PolarHBondContact O-OG1 2.9Å; V639-V653 HydrophobicContact CB-CG2 3.84Å; V639-V653 HydrophobicContact CG2-CG2 3.67Å
640	G	88.8	Confident	86.8	Confident	48 Å²	48	52.8 Å²	52.8	50%	0.495	30%	0.298	S	S	.	.	S	Bend	trans	111.1	-166.8	174.6	0	0	0	0	0	113.2
641	S	82.1	Confident	87.5	Confident	103 Å²	103	51.8 Å²	51.8	72%	0.72	29%	0.294	S	S	*	.			trans	-70	129.1	179.5	51.2	0	0	0	0	111.8
642	T	83.7	Confident	88.2	Confident	45 Å²	45	48.1 Å²	48.1	28%	0.276	28%	0.275	S	S	.	.			trans	-104.2	123.9	174.9	59.7	0	0	0	0	110.2	Y613 S648	Y613-T642 HydrophobicContact CE1-CG2 4.45Å; Y613-T642 HydrophobicContact CE2-CG2 3.9Å; T642-S648 CarbonylContact C-O 3.57Å; T642-S648 WeakPolarHBondContact CA-O 3.4Å
643	D	82.2	Confident	88.5	Confident	58 Å²	58	47 Å²	47	31%	0.31	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-117.2	93.3	174.8	-178.6	-2.7	0	0	0	109.8	S645 R646 F647 S648	D643-S645 PolarHBondContact O-N 3.45Å; D643-S645 WeakPolarHBondContact OD1-CA 3.36Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.36Å; D643-S645 PolarHBondContact OD1-N 2.69Å; D643-S645 PolarHBondContact OD1-OG 3.3Å; D643-R646 HydrophobicContact CB-CB 4.48Å; D643-R646 PolarHBondContact O-N 3.28Å; D643-R646 PolarHBondContact OD1-N 2.94Å; D643-R646 WeakPolarHBondContact OD2-CD 3.27Å; D643-R646 WeakPolarHBondContact OD2-CG 3.4Å; D643-R646 IonicContact OD2-NE 3.23Å; D643-R646 PolarHBondContact OD2-NE 2.81Å; D643-F647 PolarHBondContact O-N 3.24Å; D643-S648 CarbonylContact C-O 2.99Å; D643-S648 PolarHBondContact N-O 3.45Å; D643-S648 PolarHBondContact O-N 3.46Å
644	S	78.3	Confident	88.7	Confident	79 Å²	79	43.7 Å²	43.7	55%	0.552	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-59.9	-26.6	176.8	-54.4	0	0	0	0	113.1	R646 F647	S644-R646 VanDerWaalsContact C-N 3.32Å; S644-F647 PolarHBondContact O-N 2.97Å
645	S	76	Confident	88.9	Confident	98 Å²	98	44.9 Å²	44.9	69%	0.685	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-73.2	-27	-179.3	78.6	0	0	0	0	112.6	D643	D643-S645 PolarHBondContact O-N 3.45Å; D643-S645 WeakPolarHBondContact OD1-CA 3.36Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.36Å; D643-S645 PolarHBondContact OD1-N 2.69Å; D643-S645 PolarHBondContact OD1-OG 3.3Å
646	R	78.5	Confident	88.8	Confident	186 Å²	186	45 Å²	45	70%	0.702	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-101.3	8.4	176.8	-66.3	-176.2	-174.6	-157.9	-2	113.5	D643 S644 S648 R756	D643-R646 HydrophobicContact CB-CB 4.48Å; D643-R646 PolarHBondContact O-N 3.28Å; D643-R646 PolarHBondContact OD1-N 2.94Å; D643-R646 WeakPolarHBondContact OD2-CD 3.27Å; D643-R646 WeakPolarHBondContact OD2-CG 3.4Å; D643-R646 IonicContact OD2-NE 3.23Å; D643-R646 PolarHBondContact OD2-NE 2.81Å; S644-R646 VanDerWaalsContact C-N 3.32Å; R646-S648 VanDerWaalsContact C-N 3.31Å; R646-S648 PolarHBondContact O-N 3.41Å; R646-R756 PolarHBondContact O-NH1 3.17Å
647	F	80.7	Confident	88.7	Confident	84 Å²	84	45.8 Å²	45.8	37%	0.368	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	47.1	-170.6	-51.6	-91.9	0	0	0	112	N609 D643 S644 Y649 R756	N609-F647 HydrophobicContact CB-CD1 4.34Å; D643-F647 PolarHBondContact O-N 3.24Å; S644-F647 PolarHBondContact O-N 2.97Å; F647-Y649 HydrophobicContact CB-CE2 4.23Å; F647-Y649 WeakPolarHBondContact CD1-OH 3.21Å; F647-R756 WeakPolarHBondContact O-CD 3.41Å; F647-R756 PolarHBondContact O-NH1 2.9Å
648	S	87.1	Confident	88.4	Confident	14 Å²	14	46.3 Å²	46.3	10%	0.098	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-118	104.4	-179.3	-161.7	0	0	0	0	110.2	T642 D643 R646	T642-S648 CarbonylContact C-O 3.57Å; T642-S648 WeakPolarHBondContact CA-O 3.4Å; D643-S648 CarbonylContact C-O 2.99Å; D643-S648 PolarHBondContact N-O 3.45Å; D643-S648 PolarHBondContact O-N 3.46Å; R646-S648 VanDerWaalsContact C-N 3.31Å; R646-S648 PolarHBondContact O-N 3.41Å
649	Y	88.6	Confident	88.2	Confident	8 Å²	8	49.1 Å²	49.1	3%	0.031	29%	0.286	C	S	.	.			trans	-101.1	23.8	-168.1	-56.7	-65.9	0	0	0	114.2	P610 V611 Y613 V638 F647 V755	P610-Y649 WeakPolarHBondContact CA-OH 3.34Å; P610-Y649 HydrophobicContact CB-CE1 4.49Å; P610-Y649 WeakPolarHBondContact CB-OH 3.49Å; V611-Y649 HydrophobicContact CB-CD2 3.73Å; V611-Y649 HydrophobicContact CB-CE2 4.07Å; V611-Y649 HydrophobicContact CB-CG 4.13Å; V611-Y649 HydrophobicContact CG2-CD2 3.76Å; V611-Y649 HydrophobicContact CG2-CE2 3.91Å; Y613-Y649 AromaticContact CD1-CD1 3.96Å; Y613-Y649 HydrophobicContact CD1-CD1 3.96Å; Y613-Y649 HydrophobicContact CD1-CG 4.19Å; Y613-Y649 AromaticContact CE1-CD1 3.82Å; Y613-Y649 HydrophobicContact CE1-CD1 3.82Å; Y613-Y649 HydrophobicContact CE1-CG 4.45Å; V638-Y649 WeakPolarHBondContact CB-O 3.31Å; V638-Y649 VanDerWaalsContact CG2-O 3.3Å; V638-Y649 WeakPolarHBondContact CG2-O 3.24Å; F647-Y649 HydrophobicContact CB-CE2 4.23Å; F647-Y649 WeakPolarHBondContact CD1-OH 3.21Å; Y649-V755 WeakPolarHBondContact CB-O 3.17Å; Y649-V755 WeakPolarHBondContact CD2-O 3.4Å; Y649-V755 PolarHBondContact N-O 3.34Å
650	G	91.9	Very high	88	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.			trans	87.7	164.6	179.8	0	0	0	0	0	113.4	Q754 V755	G650-Q754 CarbonylContact O-C 3.53Å; G650-Q754 WeakPolarHBondContact O-CA 3.27Å; G650-V755 PolarHBondContact O-N 3Å
651	T	94.8	Very high	88.2	Confident	47 Å²	47	44.1 Å²	44.1	29%	0.288	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.8	-177.5	-41	0	0	0	0	110.6	V638 V639 V653 N753 Q754	V638-T651 CarbonylContact C-O 3.59Å; V638-T651 WeakPolarHBondContact CA-O 3.35Å; V638-T651 WeakPolarHBondContact CB-O 3.34Å; V639-T651 PolarHBondContact N-O 3.47Å; V639-T651 WeakPolarHBondContact O-CB 3.42Å; V639-T651 PolarHBondContact O-N 2.87Å; V639-T651 PolarHBondContact O-OG1 2.9Å; T651-V653 PolarHBondContact O-N 2.86Å; T651-N753 CarbonylContact C-O 3.17Å; T651-N753 WeakPolarHBondContact CA-O 3.21Å; T651-N753 HydrophobicContact CG2-CB 4.18Å; T651-Q754 PolarHBondContact OG1-NE2 3.45Å
652	L	95.7	Very high	88.7	Confident	16 Å²	16	39.2 Å²	39.2	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.3	176.8	-175.5	63	0	0	0	111.3	P636 G654 P722 P747 V749 N753 V755	P636-L652 HydrophobicContact CB-CD1 3.87Å; L652-G654 WeakPolarHBondContact CD1-O 3.33Å; L652-P722 HydrophobicContact CD2-CG 4.19Å; L652-P722 HydrophobicContact CG-CG 4.43Å; L652-P747 HydrophobicContact CD2-CB 3.88Å; L652-P747 HydrophobicContact CD2-CG 4.3Å; L652-V749 HydrophobicContact CB-CG1 4.19Å; L652-V749 HydrophobicContact CD2-CG1 3.96Å; L652-N753 PolarHBondContact N-O 2.89Å; L652-N753 PolarHBondContact O-ND2 2.69Å; L652-V755 HydrophobicContact CB-CG2 3.76Å; L652-V755 HydrophobicContact CD1-CG2 3.82Å; L652-V755 HydrophobicContact CG-CG2 4.3Å
653	V	94	Very high	89.2	Confident	58 Å²	58	37.2 Å²	37.2	35%	0.352	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-21.5	177.7	-175.9	0	0	0	0	112.3	V637 V639 T651 M718	V637-V653 PolarHBondContact O-N 3.37Å; V639-V653 HydrophobicContact CB-CG2 3.84Å; V639-V653 HydrophobicContact CG2-CG2 3.67Å; T651-V653 PolarHBondContact O-N 2.86Å; V653-M718 HydrophobicContact CG1-CE 4Å
654	G	94.5	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-171.9	175.6	0	0	0	0	0	113.4	V637 L652 C719	V637-G654 PolarHBondContact N-O 3.3Å; V637-G654 PolarHBondContact O-N 3.36Å; V637-G654 VanDerWaalsContact O-N 3.16Å; L652-G654 WeakPolarHBondContact CD1-O 3.33Å; G654-C719 CarbonylContact C-O 3.59Å; G654-C719 WeakPolarHBondContact CA-O 3.36Å
655	M	94.2	Very high	90.3	Very high	30 Å²	30	30.8 Å²	30.8	15%	0.148	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.8	171.1	-159.9	-157.4	-46.5	0	0	110.9	F635 C719 P722 H745 P747	F635-M655 WeakPolarHBondContact O-CA 3.33Å; F635-M655 VanDerWaalsContact O-CG 3.3Å; F635-M655 WeakPolarHBondContact O-CG 3.48Å; M655-C719 PolarHBondContact N-O 3.49Å; M655-C719 PolarHBondContact O-N 3.2Å; M655-P722 HydrophobicContact CB-CB 3.96Å; M655-P722 HydrophobicContact CB-CG 4.29Å; M655-P722 HydrophobicContact CE-CB 3.86Å; M655-H745 HydrophobicContact CE-CB 4.15Å; M655-H745 HydrophobicContact SD-CB 3.83Å; M655-P747 HydrophobicContact CE-CG 3.87Å
656	I	93.7	Very high	91	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.1	174.7	-166.6	170	0	0	0	111	L614 G634 F635 V637 H660 L661 L664 L714 M718	L614-I656 HydrophobicContact CD1-CG2 4.06Å; G634-I656 CarbonylContact C-O 3.13Å; G634-I656 WeakPolarHBondContact CA-O 3.4Å; F635-I656 HydrophobicContact CB-CG2 4.37Å; F635-I656 PolarHBondContact N-O 3.39Å; F635-I656 PolarHBondContact O-N 2.89Å; V637-I656 HydrophobicContact CG2-CG2 4.19Å; I656-H660 HydrophobicContact CG1-CB 4.17Å; I656-L661 HydrophobicContact CD1-CB 4.36Å; I656-L664 HydrophobicContact CD1-CD1 3.76Å; I656-L714 HydrophobicContact CD1-CD2 3.92Å; I656-M718 HydrophobicContact CB-CB 4.29Å
657	S	92	Very high	91.6	Very high	15 Å²	15	26.6 Å²	26.6	11%	0.105	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	150.9	174.6	69.1	0	0	0	0	111.5	E659 H660 L661	S657-E659 PolarHBondContact O-N 3.04Å; S657-H660 PolarHBondContact O-N 3Å; S657-H660 WeakPolarHBondContact OG-CB 3.41Å; S657-H660 PolarHBondContact OG-CD2 2.95Å; S657-H660 PolarHBondContact OG-N 3.29Å; S657-L661 WeakPolarHBondContact O-CB 3.26Å; S657-L661 PolarHBondContact O-N 3.46Å
658	S	90.7	Very high	92	Very high	11 Å²	11	28.7 Å²	28.7	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-31.8	174.6	61.2	0	0	0	0	112.6	H632 H633 A662	H632-S658 WeakPolarHBondContact O-CB 3.33Å; H633-S658 WeakPolarHBondContact CA-OG 3.19Å; H633-S658 PolarHBondContact O-N 3.49Å; H633-S658 PolarHBondContact O-OG 3.47Å; S658-A662 VanDerWaalsContact O-CB 3.24Å; S658-A662 WeakPolarHBondContact O-CB 3.25Å; S658-A662 PolarHBondContact O-N 2.68Å
659	E	90.2	Very high	92.1	Very high	60 Å²	60	28.1 Å²	28.1	28%	0.28	14%	0.135	S	C	.	.	H	α-helix	trans	-69.3	-43.2	178.5	-63.7	-170.2	139.8	0	0	111.8	S657 L663 Y693	S657-E659 PolarHBondContact O-N 3.04Å; E659-L663 WeakPolarHBondContact O-CB 3.45Å; E659-L663 PolarHBondContact O-N 3.12Å; E659-Y693 HydrophobicContact CB-CD1 4.25Å; E659-Y693 HydrophobicContact CB-CD2 3.76Å; E659-Y693 HydrophobicContact CB-CE2 4.31Å; E659-Y693 HydrophobicContact CB-CG 3.7Å; E659-Y693 HydrophobicContact CG-CD2 3.99Å; E659-Y693 HydrophobicContact CG-CG 4.19Å; E659-Y693 VanDerWaalsContact OE2-CD2 3.23Å; E659-Y693 WeakPolarHBondContact OE2-CD2 3.45Å; E659-Y693 WeakPolarHBondContact OE2-CE2 3.32Å
660	H	91.3	Very high	92.1	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.056	14%	0.137	C	C	.	.	H	α-helix	trans	-68.5	-38.9	175	-70.1	-168.5	0	0	0	111.2	F84 I656 S657 L663 L664 Y686	F84-H660 AromaticContact CE2-CE1 3.96Å; I656-H660 HydrophobicContact CG1-CB 4.17Å; S657-H660 PolarHBondContact O-N 3Å; S657-H660 WeakPolarHBondContact OG-CB 3.41Å; S657-H660 PolarHBondContact OG-CD2 2.95Å; S657-H660 PolarHBondContact OG-N 3.29Å; H660-L663 PolarHBondContact O-N 3.13Å; H660-L664 WeakPolarHBondContact O-CG 3.5Å; H660-L664 PolarHBondContact O-N 3.04Å; H660-Y686 HydrophobicContact CB-CE1 4.26Å; H660-Y686 AromaticContact CD2-CD1 3.88Å; H660-Y686 AromaticContact CD2-CE1 3.67Å; H660-Y686 AromaticContact CE1-CE1 3.85Å; H660-Y686 AromaticContact CG-CE1 3.67Å; H660-Y686 AromaticContact ND1-CE1 3.78Å; H660-Y686 AromaticContact NE2-CD1 3.78Å; H660-Y686 AromaticContact NE2-CE1 3.78Å
661	L	92.8	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-41.5	175.7	-178.2	58	0	0	0	112.3	L614 L623 I627 F635 I656 S657 L663 L664 L665 L696 L712 L714	L614-L661 HydrophobicContact CD1-CD2 4.05Å; L623-L661 HydrophobicContact CD1-CD1 3.82Å; L623-L661 HydrophobicContact CD1-CD2 4.12Å; L623-L661 HydrophobicContact CD2-CD1 4.41Å; L623-L661 HydrophobicContact CD2-CD2 4.28Å; I627-L661 HydrophobicContact CD1-CD2 3.52Å; F635-L661 HydrophobicContact CD2-CD2 4.36Å; F635-L661 HydrophobicContact CE2-CD2 4.36Å; I656-L661 HydrophobicContact CD1-CB 4.36Å; S657-L661 WeakPolarHBondContact O-CB 3.26Å; S657-L661 PolarHBondContact O-N 3.46Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 3.19Å; L661-L664 WeakPolarHBondContact O-CB 3.47Å; L661-L664 PolarHBondContact O-N 3.19Å; L661-L665 HydrophobicContact CD1-CD1 4.43Å; L661-L665 HydrophobicContact CD1-CG 4.43Å; L661-L665 HydrophobicContact CG-CD1 4.33Å; L661-L665 WeakPolarHBondContact O-CG 3.26Å; L661-L665 PolarHBondContact O-N 3.01Å; L661-L696 HydrophobicContact CB-CD1 4.47Å; L661-L696 HydrophobicContact CD2-CD1 4.26Å; L661-L696 HydrophobicContact CD2-CD2 4.14Å; L661-L696 HydrophobicContact CG-CD1 4.03Å; L661-L712 HydrophobicContact CD1-CD2 3.85Å; L661-L714 HydrophobicContact CD1-CD2 4.19Å
662	A	92.9	Very high	90.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-36.6	174.4	0	0	0	0	0	112	S658 Q666 P694 L696 V699	S658-A662 VanDerWaalsContact O-CB 3.24Å; S658-A662 WeakPolarHBondContact O-CB 3.25Å; S658-A662 PolarHBondContact O-N 2.68Å; A662-Q666 VanDerWaalsContact O-CB 3.26Å; A662-Q666 WeakPolarHBondContact O-CB 3.13Å; A662-Q666 PolarHBondContact O-N 3.24Å; A662-P694 HydrophobicContact CB-CG 3.92Å; A662-P694 WeakPolarHBondContact CB-O 3.34Å; A662-L696 HydrophobicContact CB-CB 4.16Å; A662-L696 HydrophobicContact CB-CD1 4.06Å; A662-V699 HydrophobicContact CB-CG2 4.26Å
663	L	92.6	Very high	89.5	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-41	174.3	-175.6	62.8	0	0	0	112.4	E659 H660 L661 K667 L681 Y686 A689 Y693	E659-L663 WeakPolarHBondContact O-CB 3.45Å; E659-L663 PolarHBondContact O-N 3.12Å; H660-L663 PolarHBondContact O-N 3.13Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 3.19Å; L663-K667 HydrophobicContact CD1-CG 4.16Å; L663-K667 VanDerWaalsContact O-CB 3.28Å; L663-K667 WeakPolarHBondContact O-CB 3.05Å; L663-K667 VanDerWaalsContact O-CG 3.29Å; L663-K667 WeakPolarHBondContact O-CG 3.01Å; L663-K667 PolarHBondContact O-N 2.97Å; L663-L681 HydrophobicContact CD2-CD1 4.33Å; L663-L681 HydrophobicContact CD2-CD2 4.41Å; L663-L681 HydrophobicContact CG-CD1 4.3Å; L663-L681 HydrophobicContact CG-CD2 4.1Å; L663-Y686 HydrophobicContact CD2-CD1 3.73Å; L663-Y686 HydrophobicContact CD2-CE1 4.01Å; L663-Y686 HydrophobicContact CD2-CG 4.06Å; L663-A689 HydrophobicContact CD1-CB 4.14Å; L663-A689 HydrophobicContact CD2-CB 4.42Å; L663-Y693 HydrophobicContact CD2-CE1 4.35Å
664	L	92.2	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-50.2	174.5	-76.3	167.7	0	0	0	111.8	I656 H660 L661 K667 R668 V669 L681 L712 L714 Y717	I656-L664 HydrophobicContact CD1-CD1 3.76Å; H660-L664 WeakPolarHBondContact O-CG 3.5Å; H660-L664 PolarHBondContact O-N 3.04Å; L661-L664 WeakPolarHBondContact O-CB 3.47Å; L661-L664 PolarHBondContact O-N 3.19Å; L664-K667 CarbonylContact O-C 3.51Å; L664-K667 PolarHBondContact O-N 3.46Å; L664-R668 PolarHBondContact O-N 2.84Å; L664-V669 HydrophobicContact CB-CB 4.48Å; L664-V669 HydrophobicContact CD2-CB 3.73Å; L664-V669 HydrophobicContact CD2-CG1 3.54Å; L664-V669 HydrophobicContact CD2-CG2 4.02Å; L664-V669 PolarHBondContact O-N 3.15Å; L664-V669 VanDerWaalsContact O-N 3.11Å; L664-L681 HydrophobicContact CD2-CD1 3.48Å; L664-L681 VanDerWaalsContact CD2-CD1 3.48Å; L664-L681 HydrophobicContact CD2-CG 4.13Å; L664-L681 HydrophobicContact CG-CD1 3.93Å; L664-L712 HydrophobicContact CB-CD1 4.48Å; L664-L714 HydrophobicContact CD1-CD2 4.2Å; L664-Y717 HydrophobicContact CD1-CD2 4Å; L664-Y717 HydrophobicContact CD1-CG 4.07Å; L664-Y717 HydrophobicContact CD2-CD1 3.91Å; L664-Y717 HydrophobicContact CD2-CD2 3.41Å; L664-Y717 VanDerWaalsContact CD2-CD2 3.41Å; L664-Y717 HydrophobicContact CD2-CE1 4.04Å; L664-Y717 HydrophobicContact CD2-CE2 3.55Å; L664-Y717 HydrophobicContact CD2-CG 3.62Å; L664-Y717 HydrophobicContact CG-CD2 4.36Å; L664-Y717 HydrophobicContact CG-CG 4.38Å
665	L	92	Very high	87.1	Confident	2 Å²	2	45 Å²	45	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-45.3	179.7	-67.1	172.3	0	0	0	111.4	V620 L623 L661 K667 R668 F670 L696 V699 L700 L712	V620-L665 HydrophobicContact CG1-CD2 4.19Å; V620-L665 HydrophobicContact CG2-CD2 4.48Å; L623-L665 HydrophobicContact CD2-CD1 4.05Å; L661-L665 HydrophobicContact CD1-CD1 4.43Å; L661-L665 HydrophobicContact CD1-CG 4.43Å; L661-L665 HydrophobicContact CG-CD1 4.33Å; L661-L665 WeakPolarHBondContact O-CG 3.26Å; L661-L665 PolarHBondContact O-N 3.01Å; L665-K667 PolarHBondContact O-N 3.49Å; L665-R668 PolarHBondContact O-N 3.4Å; L665-F670 HydrophobicContact CD2-CE1 4.1Å; L665-F670 HydrophobicContact CD2-CZ 4.48Å; L665-L696 HydrophobicContact CD1-CD1 3.85Å; L665-V699 HydrophobicContact CB-CG1 3.55Å; L665-L700 HydrophobicContact CD1-CD2 3.88Å; L665-L712 HydrophobicContact CD2-CD2 4.44Å
666	Q	91.4	Very high	85.9	Confident	115 Å²	115	49.2 Å²	49.2	54%	0.537	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-31.9	177.5	-170.9	-174.9	34.3	0	0	112.4	A662 P694 V699	A662-Q666 VanDerWaalsContact O-CB 3.26Å; A662-Q666 WeakPolarHBondContact O-CB 3.13Å; A662-Q666 PolarHBondContact O-N 3.24Å; Q666-P694 HydrophobicContact CB-CG 4.46Å; Q666-V699 HydrophobicContact CB-CG1 4.23Å; Q666-V699 HydrophobicContact CB-CG2 4.24Å
667	K	90.6	Very high	84.6	Confident	80 Å²	80	52.5 Å²	52.5	35%	0.348	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.6	179.4	-70.2	-82.1	-178.1	154	0	113.7	L663 L664 L665 V669 Y679 L681 D685	L663-K667 HydrophobicContact CD1-CG 4.16Å; L663-K667 VanDerWaalsContact O-CB 3.28Å; L663-K667 WeakPolarHBondContact O-CB 3.05Å; L663-K667 VanDerWaalsContact O-CG 3.29Å; L663-K667 WeakPolarHBondContact O-CG 3.01Å; L663-K667 PolarHBondContact O-N 2.97Å; L664-K667 CarbonylContact O-C 3.51Å; L664-K667 PolarHBondContact O-N 3.46Å; L665-K667 PolarHBondContact O-N 3.49Å; K667-V669 VanDerWaalsContact C-N 3.29Å; K667-V669 HydrophobicContact CB-CG2 3.81Å; K667-V669 PolarHBondContact O-N 3.05Å; K667-Y679 HydrophobicContact CB-CD1 4.26Å; K667-Y679 HydrophobicContact CB-CE1 4.19Å; K667-Y679 HydrophobicContact CD-CE1 4.07Å; K667-L681 HydrophobicContact CB-CD2 3.91Å; K667-L681 HydrophobicContact CG-CD2 3.76Å; K667-D685 WeakPolarHBondContact CE-OD1 3.45Å; K667-D685 IonicContact NZ-OD1 3.48Å; K667-D685 PolarHBondContact NZ-OD1 3.45Å
668	R	89.6	Confident	83.6	Confident	128 Å²	128	57.1 Å²	57.1	48%	0.483	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	49	-177.6	-67.4	-175.8	158.5	138.5	-0.9	112.7	L664 L665 F670 D707	L664-R668 PolarHBondContact O-N 2.84Å; L665-R668 PolarHBondContact O-N 3.4Å; R668-F670 HydrophobicContact CB-CD2 3.87Å; R668-F670 HydrophobicContact CB-CE2 3.68Å; R668-F670 HydrophobicContact CB-CZ 4.37Å; R668-F670 HydrophobicContact CG-CD2 4.37Å; R668-F670 HydrophobicContact CG-CE2 3.72Å; R668-F670 HydrophobicContact CG-CZ 4.34Å; R668-F670 PolarHBondContact O-N 2.04Å; R668-D707 WeakPolarHBondContact CD-OD1 3.5Å; R668-D707 IonicContact CZ-OD1 3.47Å; R668-D707 IonicContact CZ-OD2 3.41Å; R668-D707 IonicContact NE-OD1 2.74Å; R668-D707 PolarHBondContact NE-OD1 3.36Å; R668-D707 IonicContact NE-OD2 2.75Å; R668-D707 PolarHBondContact NE-OD2 2.87Å; R668-D707 IonicContact NH2-OD1 3.6Å; R668-D707 PolarHBondContact NH2-OD1 3.46Å; R668-D707 IonicContact NH2-OD2 3.32Å; R668-D707 PolarHBondContact NH2-OD2 3.35Å
669	V	89	Confident	83	Confident	2 Å²	2	61 Å²	61	1%	0.012	31%	0.307	C	S	.	.			trans	-77.4	74.4	-179.4	177.6	0	0	0	0	108.9	L664 K667 Y679 L681 L712 Y717	L664-V669 HydrophobicContact CB-CB 4.48Å; L664-V669 HydrophobicContact CD2-CB 3.73Å; L664-V669 HydrophobicContact CD2-CG1 3.54Å; L664-V669 HydrophobicContact CD2-CG2 4.02Å; L664-V669 PolarHBondContact O-N 3.15Å; L664-V669 VanDerWaalsContact O-N 3.11Å; K667-V669 VanDerWaalsContact C-N 3.29Å; K667-V669 HydrophobicContact CB-CG2 3.81Å; K667-V669 PolarHBondContact O-N 3.05Å; V669-Y679 HydrophobicContact CG2-CD1 3.93Å; V669-L681 HydrophobicContact CG2-CD2 4.15Å; V669-L681 HydrophobicContact CG2-CG 3.94Å; V669-L712 WeakPolarHBondContact O-CD1 3.22Å; V669-Y717 HydrophobicContact CG1-CE2 3.6Å; V669-Y717 WeakPolarHBondContact CG1-OH 3.39Å
670	F	89	Confident	82.6	Confident	14 Å²	14	61.1 Å²	61.1	6%	0.061	31%	0.314	C	S	.	.			trans	-115.2	153.7	-172.3	-56.5	-38	0	0	0	112.3	V620 L665 R668 M677 V678 L703 D707 A710	V620-F670 HydrophobicContact CG2-CD1 3.98Å; V620-F670 HydrophobicContact CG2-CE1 3.52Å; V620-F670 HydrophobicContact CG2-CZ 4.1Å; L665-F670 HydrophobicContact CD2-CE1 4.1Å; L665-F670 HydrophobicContact CD2-CZ 4.48Å; R668-F670 HydrophobicContact CB-CD2 3.87Å; R668-F670 HydrophobicContact CB-CE2 3.68Å; R668-F670 HydrophobicContact CB-CZ 4.37Å; R668-F670 HydrophobicContact CG-CD2 4.37Å; R668-F670 HydrophobicContact CG-CE2 3.72Å; R668-F670 HydrophobicContact CG-CZ 4.34Å; R668-F670 PolarHBondContact O-N 2.04Å; F670-M677 WeakPolarHBondContact O-CA 3.28Å; F670-V678 PolarHBondContact O-N 3.13Å; F670-L703 HydrophobicContact CZ-CD2 4.39Å; F670-D707 HydrophobicContact CE2-CB 3.98Å; F670-D707 WeakPolarHBondContact CE2-OD1 3.43Å; F670-D707 HydrophobicContact CZ-CB 4.25Å; F670-A710 HydrophobicContact CB-CB 4Å; F670-A710 HydrophobicContact CD1-CB 4.28Å; F670-A710 HydrophobicContact CD2-CB 3.92Å; F670-A710 HydrophobicContact CE2-CB 4.47Å; F670-A710 HydrophobicContact CG-CB 3.81Å
671	L	85.1	Confident	82.4	Confident	36 Å²	36	60.9 Å²	60.9	19%	0.188	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-76.8	129.7	168.3	-67.9	162.4	0	0	0	109.7	I617 G675 M677 Y711 D713	I617-L671 HydrophobicContact CG2-CD1 4.22Å; L671-G675 VanDerWaalsContact CD2-O 3.25Å; L671-G675 WeakPolarHBondContact CD2-O 3.5Å; L671-M677 HydrophobicContact CD2-CG 3.82Å; L671-Y711 PolarHBondContact N-O 3.13Å; L671-D713 HydrophobicContact CD1-CB 4.19Å
672	S	73.3	Confident	82.2	Confident	44 Å²	44	63.9 Å²	63.9	31%	0.308	33%	0.332	S	S	.	.			trans	-63.2	164.2	163.1	-170.7	0	0	0	0	110.3	D674 G675 N676	S672-D674 PolarHBondContact O-N 3.16Å; S672-D674 VanDerWaalsContact O-N 3.12Å; S672-D674 PolarHBondContact OG-OD2 2.94Å; S672-G675 PolarHBondContact O-N 3.4Å; S672-N676 VanDerWaalsContact CB-O 3.28Å; S672-N676 WeakPolarHBondContact CB-O 3.45Å; S672-N676 PolarHBondContact N-O 3.44Å
673	K	68.4	Low	81.8	Confident	216 Å²	216	65.9 Å²	65.9	94%	0.939	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.8	171.1	-65.3	-177.9	178.8	178.8	0	112.4	G675	K673-G675 VanDerWaalsContact C-N 3.3Å
674	D	67.3	Low	81.4	Confident	125 Å²	125	71.6 Å²	71.6	67%	0.668	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.5	176.3	-32.2	-77.8	0	0	0	113.7	S672 N676	S672-D674 PolarHBondContact O-N 3.16Å; S672-D674 VanDerWaalsContact O-N 3.12Å; S672-D674 PolarHBondContact OG-OD2 2.94Å; D674-N676 PolarHBondContact O-N 3.1Å
675	G	70.6	Confident	81.3	Confident	49 Å²	49	72.4 Å²	72.4	51%	0.505	37%	0.369	S	S	.	.	S	Bend	trans	76.6	-9.4	-177.3	0	0	0	0	0	115.6	L671 S672 K673	L671-G675 VanDerWaalsContact CD2-O 3.25Å; L671-G675 WeakPolarHBondContact CD2-O 3.5Å; S672-G675 PolarHBondContact O-N 3.4Å; K673-G675 VanDerWaalsContact C-N 3.3Å
676	N	69.2	Low	81.1	Confident	118 Å²	118	72.5 Å²	72.5	63%	0.631	37%	0.369	S	S	*	.			trans	-74.1	136.6	172.2	-69.4	-43.9	0	0	0	110.9	S672 D674	S672-N676 VanDerWaalsContact CB-O 3.28Å; S672-N676 WeakPolarHBondContact CB-O 3.45Å; S672-N676 PolarHBondContact N-O 3.44Å; D674-N676 PolarHBondContact O-N 3.1Å
677	M	66.3	Low	80.8	Confident	73 Å²	73	67.4 Å²	67.4	36%	0.36	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-72.6	134.2	173.5	-62.4	-161.8	-46.6	0	0	111.2	F670 L671 Y717	F670-M677 WeakPolarHBondContact O-CA 3.28Å; L671-M677 HydrophobicContact CD2-CG 3.82Å; M677-Y717 WeakPolarHBondContact CE-OH 3.39Å
678	V	70.2	Confident	80.6	Confident	111 Å²	111	67.8 Å²	67.8	67%	0.673	35%	0.351	S	S	*	.	S	Bend	trans	-69.2	-35.2	179.8	178.8	0	0	0	0	111.7	F670	F670-V678 PolarHBondContact O-N 3.13Å
679	Y	78.9	Confident	80.4	Confident	92 Å²	92	62.6 Å²	62.6	36%	0.361	34%	0.336	S	S	.	.			trans	-149.6	148.2	178	-179.1	-113.1	0	0	0	109.6	K667 V669 L681 D685	K667-Y679 HydrophobicContact CB-CD1 4.26Å; K667-Y679 HydrophobicContact CB-CE1 4.19Å; K667-Y679 HydrophobicContact CD-CE1 4.07Å; V669-Y679 HydrophobicContact CG2-CD1 3.93Å; Y679-L681 HydrophobicContact CE1-CD2 4.32Å; Y679-D685 PolarHBondContact OH-OD1 2.78Å; Y679-D685 PolarHBondContact OH-OD2 2.91Å
680	S	82.8	Confident	80.3	Confident	64 Å²	64	63.2 Å²	63.2	45%	0.448	34%	0.338	S	S	.	.			trans	-119.7	131.2	172	54.9	0	0	0	0	110.1
681	L	87.1	Confident	79.8	Confident	6 Å²	6	66 Å²	66	3%	0.031	36%	0.357	C	S	.	.			trans	-58.8	141.8	172.3	-67.9	174.3	0	0	0	110.4	I83 L663 L664 K667 V669 Y679 D685 Y686 Y717	I83-L681 HydrophobicContact CD1-CB 4.07Å; I83-L681 WeakPolarHBondContact CD1-O 3.17Å; L663-L681 HydrophobicContact CD2-CD1 4.33Å; L663-L681 HydrophobicContact CD2-CD2 4.41Å; L663-L681 HydrophobicContact CG-CD1 4.3Å; L663-L681 HydrophobicContact CG-CD2 4.1Å; L664-L681 HydrophobicContact CD2-CD1 3.48Å; L664-L681 VanDerWaalsContact CD2-CD1 3.48Å; L664-L681 HydrophobicContact CD2-CG 4.13Å; L664-L681 HydrophobicContact CG-CD1 3.93Å; K667-L681 HydrophobicContact CB-CD2 3.91Å; K667-L681 HydrophobicContact CG-CD2 3.76Å; V669-L681 HydrophobicContact CG2-CD2 4.15Å; V669-L681 HydrophobicContact CG2-CG 3.94Å; Y679-L681 HydrophobicContact CE1-CD2 4.32Å; L681-D685 HydrophobicContact CD2-CB 3.85Å; L681-Y686 HydrophobicContact CB-CE2 3.97Å; L681-Y686 HydrophobicContact CD1-CE1 4.43Å; L681-Y686 HydrophobicContact CD1-CE2 3.98Å; L681-Y686 WeakPolarHBondContact CD1-OH 3.34Å; L681-Y717 HydrophobicContact CB-CE1 3.95Å; L681-Y717 HydrophobicContact CD1-CD1 4.23Å; L681-Y717 HydrophobicContact CD1-CE1 4.22Å; L681-Y717 HydrophobicContact CG-CE1 4.27Å
682	T	87.4	Confident	79.8	Confident	64 Å²	64	67.4 Å²	67.4	39%	0.393	37%	0.37	S	S	.	.			trans	-105.8	162.6	168.6	72.1	0	0	0	0	109.9	K684 D685 Y686	T682-K684 PolarHBondContact O-N 3.22Å; T682-K684 WeakPolarHBondContact OG1-CB 3.42Å; T682-K684 PolarHBondContact OG1-N 3.49Å; T682-D685 WeakPolarHBondContact CB-OD2 3.5Å; T682-D685 PolarHBondContact N-OD2 2.65Å; T682-D685 WeakPolarHBondContact O-CB 3.4Å; T682-D685 PolarHBondContact O-N 3.06Å; T682-D685 PolarHBondContact OG1-OD2 2.86Å; T682-Y686 WeakPolarHBondContact O-CD2 3.36Å
683	Y	84.5	Confident	80.4	Confident	41 Å²	41	67 Å²	67	16%	0.161	36%	0.362	C	S	.	.	H	α-helix	trans	-53.7	-29.2	171	178.4	-90	0	0	0	112.5	F84 E87 R91 D685 Y686 D687	F84-Y683 AromaticContact CD1-CD2 3.75Å; F84-Y683 HydrophobicContact CD1-CD2 3.75Å; F84-Y683 AromaticContact CD1-CE2 3.68Å; F84-Y683 HydrophobicContact CD1-CE2 3.68Å; F84-Y683 AromaticContact CE1-CD2 3.7Å; F84-Y683 HydrophobicContact CE1-CD2 3.7Å; F84-Y683 AromaticContact CE1-CE2 3.55Å; F84-Y683 HydrophobicContact CE1-CE2 3.55Å; E87-Y683 HydrophobicContact CB-CD2 4.13Å; E87-Y683 HydrophobicContact CB-CG 4.27Å; E87-Y683 HydrophobicContact CG-CD1 4.12Å; E87-Y683 HydrophobicContact CG-CD2 3.8Å; E87-Y683 HydrophobicContact CG-CE2 4.2Å; E87-Y683 HydrophobicContact CG-CG 3.74Å; R91-Y683 PolarHBondContact NH1-OH 2.93Å; R91-Y683 VanDerWaalsContact NH1-OH 3.16Å; R91-Y683 VanDerWaalsContact NH2-CZ 3.27Å; R91-Y683 PolarHBondContact NH2-OH 3.22Å; Y683-D685 VanDerWaalsContact C-N 3.31Å; Y683-D685 PolarHBondContact O-N 3.35Å; Y683-Y686 PolarHBondContact O-N 3.07Å; Y683-D687 HydrophobicContact CE1-CB 4.34Å; Y683-D687 WeakPolarHBondContact O-CB 3.48Å; Y683-D687 PolarHBondContact O-N 3.31Å
684	K	85.8	Confident	81.2	Confident	124 Å²	124	58 Å²	58	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-33	177	-173.7	-173.1	169.2	-165.8	0	112.2	T682 D687 D688	T682-K684 PolarHBondContact O-N 3.22Å; T682-K684 WeakPolarHBondContact OG1-CB 3.42Å; T682-K684 PolarHBondContact OG1-N 3.49Å; K684-D687 PolarHBondContact O-N 3.33Å; K684-D688 WeakPolarHBondContact CE-OD2 3.28Å; K684-D688 WeakPolarHBondContact CG-OD2 3.27Å; K684-D688 WeakPolarHBondContact O-CB 3.44Å; K684-D688 PolarHBondContact O-N 2.83Å
685	D	89.2	Confident	82.2	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-40.5	179.9	-61.3	-77.7	0	0	0	111.9	K667 Y679 L681 T682 Y683 A689	K667-D685 WeakPolarHBondContact CE-OD1 3.45Å; K667-D685 IonicContact NZ-OD1 3.48Å; K667-D685 PolarHBondContact NZ-OD1 3.45Å; Y679-D685 PolarHBondContact OH-OD1 2.78Å; Y679-D685 PolarHBondContact OH-OD2 2.91Å; L681-D685 HydrophobicContact CD2-CB 3.85Å; T682-D685 WeakPolarHBondContact CB-OD2 3.5Å; T682-D685 PolarHBondContact N-OD2 2.65Å; T682-D685 WeakPolarHBondContact O-CB 3.4Å; T682-D685 PolarHBondContact O-N 3.06Å; T682-D685 PolarHBondContact OG1-OD2 2.86Å; Y683-D685 VanDerWaalsContact C-N 3.31Å; Y683-D685 PolarHBondContact O-N 3.35Å; D685-A689 WeakPolarHBondContact O-CB 3.46Å; D685-A689 PolarHBondContact O-N 3.29Å; D685-A689 VanDerWaalsContact O-N 3.13Å
686	Y	88.2	Confident	82.9	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-47.7	171.1	-66	-85.7	0	0	0	111.3	I83 F84 H660 L663 L681 T682 Y683 D688 A689 Y690	I83-Y686 HydrophobicContact CD1-CE2 3.98Å; I83-Y686 HydrophobicContact CG2-CE2 4.35Å; F84-Y686 HydrophobicContact CE2-CD1 4.37Å; F84-Y686 HydrophobicContact CE2-CE1 4.48Å; F84-Y686 HydrophobicContact CE2-CG 4.46Å; F84-Y686 HydrophobicContact CZ-CD1 4.18Å; F84-Y686 HydrophobicContact CZ-CD2 4.43Å; F84-Y686 HydrophobicContact CZ-CG 4.01Å; H660-Y686 HydrophobicContact CB-CE1 4.26Å; H660-Y686 AromaticContact CD2-CD1 3.88Å; H660-Y686 AromaticContact CD2-CE1 3.67Å; H660-Y686 AromaticContact CE1-CE1 3.85Å; H660-Y686 AromaticContact CG-CE1 3.67Å; H660-Y686 AromaticContact ND1-CE1 3.78Å; H660-Y686 AromaticContact NE2-CD1 3.78Å; H660-Y686 AromaticContact NE2-CE1 3.78Å; L663-Y686 HydrophobicContact CD2-CD1 3.73Å; L663-Y686 HydrophobicContact CD2-CE1 4.01Å; L663-Y686 HydrophobicContact CD2-CG 4.06Å; L681-Y686 HydrophobicContact CB-CE2 3.97Å; L681-Y686 HydrophobicContact CD1-CE1 4.43Å; L681-Y686 HydrophobicContact CD1-CE2 3.98Å; L681-Y686 WeakPolarHBondContact CD1-OH 3.34Å; T682-Y686 WeakPolarHBondContact O-CD2 3.36Å; Y683-Y686 PolarHBondContact O-N 3.07Å; Y686-D688 PolarHBondContact O-N 3.36Å; Y686-A689 PolarHBondContact O-N 2.94Å; Y686-Y690 PolarHBondContact O-N 2.84Å
687	D	84.4	Confident	83.7	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-40.5	177.1	167.1	38	0	0	0	112.6	R243 K255 R258 Y683 K684 A689	R243-D687 VanDerWaalsContact CZ-O 3.25Å; R243-D687 IonicContact CZ-OD1 3.56Å; R243-D687 PolarHBondContact NH1-O 2.94Å; R243-D687 IonicContact NH1-OD1 3.33Å; R243-D687 PolarHBondContact NH2-O 3.25Å; R243-D687 IonicContact NH2-OD1 2.68Å; R243-D687 PolarHBondContact NH2-OD1 3.06Å; K255-D687 VanDerWaalsContact CD-OD2 3.31Å; K255-D687 WeakPolarHBondContact CD-OD2 3.47Å; K255-D687 WeakPolarHBondContact CE-OD2 3.49Å; K255-D687 VanDerWaalsContact CG-OD2 3.29Å; K255-D687 WeakPolarHBondContact CG-OD2 3.07Å; K255-D687 IonicContact NZ-OD2 2.76Å; K255-D687 PolarHBondContact NZ-OD2 3.39Å; R258-D687 WeakPolarHBondContact CD-OD1 3.23Å; R258-D687 IonicContact CZ-OD1 2.92Å; R258-D687 IonicContact NE-OD1 2.65Å; R258-D687 IonicContact NH1-OD1 2.93Å; R258-D687 PolarHBondContact NH1-OD1 3.13Å; R258-D687 IonicContact NH1-OD2 3.24Å; Y683-D687 HydrophobicContact CE1-CB 4.34Å; Y683-D687 WeakPolarHBondContact O-CB 3.48Å; Y683-D687 PolarHBondContact O-N 3.31Å; K684-D687 PolarHBondContact O-N 3.33Å; D687-A689 VanDerWaalsContact C-N 3.35Å
688	D	85.4	Confident	84.7	Confident	89 Å²	89	53 Å²	53	48%	0.476	29%	0.288	S	S	.	.	H	α-helix	trans	-76.4	-18.6	179.2	-74.1	-29.2	0	0	0	113.5	R243 K684 Y686	R243-D688 IonicContact NH2-OD1 2.66Å; R243-D688 PolarHBondContact NH2-OD1 2.89Å; K684-D688 WeakPolarHBondContact CE-OD2 3.28Å; K684-D688 WeakPolarHBondContact CG-OD2 3.27Å; K684-D688 WeakPolarHBondContact O-CB 3.44Å; K684-D688 PolarHBondContact O-N 2.83Å; Y686-D688 PolarHBondContact O-N 3.36Å
689	A	86.8	Confident	85.6	Confident	18 Å²	18	48.3 Å²	48.3	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-83	-34.5	169.9	0	0	0	0	0	113.9	L663 D685 Y686 D687 S692 Y693	L663-A689 HydrophobicContact CD1-CB 4.14Å; L663-A689 HydrophobicContact CD2-CB 4.42Å; D685-A689 WeakPolarHBondContact O-CB 3.46Å; D685-A689 PolarHBondContact O-N 3.29Å; D685-A689 VanDerWaalsContact O-N 3.13Å; Y686-A689 PolarHBondContact O-N 2.94Å; D687-A689 VanDerWaalsContact C-N 3.35Å; A689-S692 CarbonylContact O-C 3.41Å; A689-S692 PolarHBondContact O-N 3.15Å; A689-Y693 HydrophobicContact CB-CD1 3.5Å; A689-Y693 VanDerWaalsContact CB-CD1 3.5Å; A689-Y693 HydrophobicContact CB-CE1 3.66Å; A689-Y693 HydrophobicContact CB-CG 4.41Å; A689-Y693 PolarHBondContact O-N 2.65Å
690	Y	85.9	Confident	86.1	Confident	15 Å²	15	44.8 Å²	44.8	6%	0.059	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	137.4	-178.3	-172.3	-93.1	0	0	0	113.2	R243 R258 D260 K263 Y686 Y693	R243-Y690 PolarHBondContact NH1-O 3.43Å; R258-Y690 HydrophobicContact CB-CD1 3.93Å; R258-Y690 HydrophobicContact CB-CE1 4.4Å; D260-Y690 PolarHBondContact OD1-OH 3.19Å; D260-Y690 VanDerWaalsContact OD2-CE2 3.28Å; D260-Y690 WeakPolarHBondContact OD2-CE2 3.27Å; D260-Y690 PolarHBondContact OD2-OH 2.96Å; K263-Y690 WeakPolarHBondContact CD-OH 3.49Å; K263-Y690 PolarHBondContact NZ-OH 3.35Å; Y686-Y690 PolarHBondContact O-N 2.84Å; Y690-Y693 AromaticContact CD2-CE2 3.97Å; Y690-Y693 HydrophobicContact CD2-CE2 3.97Å
691	P	79.8	Confident	86.2	Confident	73 Å²	73	45.8 Å²	45.8	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	cis	-103.5	44.8	0.8	40.7	-34.5	0	0	0	112
692	S	83.5	Confident	86.4	Confident	65 Å²	65	51.8 Å²	51.8	46%	0.455	29%	0.291	S	S	.	.	S	Bend	trans	-148.7	63.9	-179.3	-63.8	0	0	0	0	109.3	R245 A689	R245-S692 PolarHBondContact NH2-OG 3.16Å; A689-S692 CarbonylContact O-C 3.41Å; A689-S692 PolarHBondContact O-N 3.15Å
693	Y	86.2	Confident	86.4	Confident	37 Å²	37	50 Å²	50	15%	0.145	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-53.7	150.5	173.1	-68.5	-77.6	0	0	0	111.3	E659 L663 A689 Y690	E659-Y693 HydrophobicContact CB-CD1 4.25Å; E659-Y693 HydrophobicContact CB-CD2 3.76Å; E659-Y693 HydrophobicContact CB-CE2 4.31Å; E659-Y693 HydrophobicContact CB-CG 3.7Å; E659-Y693 HydrophobicContact CG-CD2 3.99Å; E659-Y693 HydrophobicContact CG-CG 4.19Å; E659-Y693 VanDerWaalsContact OE2-CD2 3.23Å; E659-Y693 WeakPolarHBondContact OE2-CD2 3.45Å; E659-Y693 WeakPolarHBondContact OE2-CE2 3.32Å; L663-Y693 HydrophobicContact CD2-CE1 4.35Å; A689-Y693 HydrophobicContact CB-CD1 3.5Å; A689-Y693 VanDerWaalsContact CB-CD1 3.5Å; A689-Y693 HydrophobicContact CB-CE1 3.66Å; A689-Y693 HydrophobicContact CB-CG 4.41Å; A689-Y693 PolarHBondContact O-N 2.65Å; Y690-Y693 AromaticContact CD2-CE2 3.97Å; Y690-Y693 HydrophobicContact CD2-CE2 3.97Å
694	P	86.4	Confident	86.6	Confident	26 Å²	26	50 Å²	50	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62.5	142.3	172.5	31.9	-38.5	0	0	0	109.5	A662 Q666 V699	A662-P694 HydrophobicContact CB-CG 3.92Å; A662-P694 WeakPolarHBondContact CB-O 3.34Å; Q666-P694 HydrophobicContact CB-CG 4.46Å; P694-V699 HydrophobicContact CB-CG2 3.62Å; P694-V699 HydrophobicContact CG-CG2 4.11Å
695	K	86.6	Confident	86.6	Confident	139 Å²	139	49.2 Å²	49.2	60%	0.604	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-72.5	138.1	174.8	-59.4	-172.4	-157.1	145.4	0	109.7	G697 D698 V699	K695-G697 VanDerWaalsContact C-N 3.35Å; K695-G697 PolarHBondContact O-N 3.29Å; K695-D698 HydrophobicContact CB-CB 4.1Å; K695-D698 WeakPolarHBondContact CD-OD2 3.46Å; K695-D698 IonicContact NZ-OD2 3.17Å; K695-D698 PolarHBondContact O-N 3.07Å; K695-D698 VanDerWaalsContact O-N 3.13Å; K695-V699 WeakPolarHBondContact O-CG2 3.15Å; K695-V699 PolarHBondContact O-N 3.3Å
696	L	86.8	Confident	86.4	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-56.7	-45.3	-179.6	-173.6	54.9	0	0	0	112.6	I627 L631 F635 L661 A662 L665 D698 V699 L700	I627-L696 HydrophobicContact CD1-CD2 4.31Å; I627-L696 HydrophobicContact CG2-CD2 3.85Å; I627-L696 HydrophobicContact CG2-CG 4.41Å; L631-L696 HydrophobicContact CD2-CB 4.34Å; L631-L696 HydrophobicContact CD2-CD2 4.49Å; L631-L696 HydrophobicContact CD2-CG 4.29Å; F635-L696 HydrophobicContact CE2-CD2 3.91Å; F635-L696 HydrophobicContact CZ-CD2 4.24Å; L661-L696 HydrophobicContact CB-CD1 4.47Å; L661-L696 HydrophobicContact CD2-CD1 4.26Å; L661-L696 HydrophobicContact CD2-CD2 4.14Å; L661-L696 HydrophobicContact CG-CD1 4.03Å; A662-L696 HydrophobicContact CB-CB 4.16Å; A662-L696 HydrophobicContact CB-CD1 4.06Å; L665-L696 HydrophobicContact CD1-CD1 3.85Å; L696-D698 PolarHBondContact O-N 3.19Å; L696-V699 PolarHBondContact O-N 2.86Å; L696-L700 HydrophobicContact CD1-CD1 4.24Å; L696-L700 HydrophobicContact CD1-CG 4.2Å; L696-L700 HydrophobicContact CG-CD1 3.93Å; L696-L700 HydrophobicContact CG-CG 4.38Å; L696-L700 WeakPolarHBondContact O-CB 3.33Å; L696-L700 WeakPolarHBondContact O-CG 3.35Å; L696-L700 PolarHBondContact O-N 3.39Å
697	G	86.3	Confident	86.3	Confident	25 Å²	25	55.2 Å²	55.2	26%	0.258	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-42.1	175.7	0	0	0	0	0	113.8	K695 V699 L700 A701	K695-G697 VanDerWaalsContact C-N 3.35Å; K695-G697 PolarHBondContact O-N 3.29Å; G697-V699 VanDerWaalsContact C-N 3.27Å; G697-V699 PolarHBondContact O-N 3.07Å; G697-L700 PolarHBondContact O-N 3.5Å; G697-A701 PolarHBondContact O-N 3.4Å; G697-A701 VanDerWaalsContact O-N 3.16Å
698	D	87.2	Confident	86.4	Confident	85 Å²	85	57.4 Å²	57.4	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-31.8	178.1	-56.5	-1.8	0	0	0	110.8	K695 L696 N702	K695-D698 HydrophobicContact CB-CB 4.1Å; K695-D698 WeakPolarHBondContact CD-OD2 3.46Å; K695-D698 IonicContact NZ-OD2 3.17Å; K695-D698 PolarHBondContact O-N 3.07Å; K695-D698 VanDerWaalsContact O-N 3.13Å; L696-D698 PolarHBondContact O-N 3.19Å; D698-N702 PolarHBondContact O-ND2 3.18Å
699	V	89.2	Confident	86.6	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-78.2	-44.3	176	177.9	0	0	0	0	112.1	A662 L665 Q666 P694 K695 L696 G697 A701 N702	A662-V699 HydrophobicContact CB-CG2 4.26Å; L665-V699 HydrophobicContact CB-CG1 3.55Å; Q666-V699 HydrophobicContact CB-CG1 4.23Å; Q666-V699 HydrophobicContact CB-CG2 4.24Å; P694-V699 HydrophobicContact CB-CG2 3.62Å; P694-V699 HydrophobicContact CG-CG2 4.11Å; K695-V699 WeakPolarHBondContact O-CG2 3.15Å; K695-V699 PolarHBondContact O-N 3.3Å; L696-V699 PolarHBondContact O-N 2.86Å; G697-V699 VanDerWaalsContact C-N 3.27Å; G697-V699 PolarHBondContact O-N 3.07Å; V699-A701 PolarHBondContact O-N 3.26Å; V699-N702 PolarHBondContact O-N 3.01Å
700	L	87.8	Confident	86.7	Confident	17 Å²	17	58.6 Å²	58.6	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-56.7	-37.3	178.2	-71.7	167.2	0	0	0	111.6	L623 V624 I627 L631 L665 L696 G697 N702 L703	L623-L700 HydrophobicContact CD2-CD2 4.33Å; V624-L700 HydrophobicContact CB-CD2 4.2Å; V624-L700 HydrophobicContact CG1-CD2 4.24Å; V624-L700 HydrophobicContact CG2-CD2 3.52Å; I627-L700 HydrophobicContact CG2-CD1 4Å; L631-L700 HydrophobicContact CD2-CD1 4.25Å; L665-L700 HydrophobicContact CD1-CD2 3.88Å; L696-L700 HydrophobicContact CD1-CD1 4.24Å; L696-L700 HydrophobicContact CD1-CG 4.2Å; L696-L700 HydrophobicContact CG-CD1 3.93Å; L696-L700 HydrophobicContact CG-CG 4.38Å; L696-L700 WeakPolarHBondContact O-CB 3.33Å; L696-L700 WeakPolarHBondContact O-CG 3.35Å; L696-L700 PolarHBondContact O-N 3.39Å; G697-L700 PolarHBondContact O-N 3.5Å; L700-N702 PolarHBondContact O-N 3.48Å; L700-L703 HydrophobicContact CD2-CD1 4.03Å; L700-L703 PolarHBondContact O-N 3.18Å
701	A	86.2	Confident	86.9	Confident	85 Å²	85	62.6 Å²	62.6	70%	0.702	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.6	176.2	0	0	0	0	0	115.1	G697 V699	G697-A701 PolarHBondContact O-N 3.4Å; G697-A701 VanDerWaalsContact O-N 3.16Å; V699-A701 PolarHBondContact O-N 3.26Å
702	N	90.2	Very high	87.5	Confident	132 Å²	132	59.1 Å²	59.1	71%	0.706	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	5.8	179.8	-78.9	-74.1	0	0	0	113.5	D698 V699 L700	D698-N702 PolarHBondContact O-ND2 3.18Å; V699-N702 PolarHBondContact O-N 3.01Å; L700-N702 PolarHBondContact O-N 3.48Å
703	L	88	Confident	87.9	Confident	26 Å²	26	56.8 Å²	56.8	14%	0.136	32%	0.319	C	S	.	.			trans	-74.4	136.4	174.7	-66.9	169.5	0	0	0	110.8	V620 V624 F670 L700 D707 M708	V620-L703 HydrophobicContact CG1-CD1 3.76Å; V624-L703 HydrophobicContact CG2-CD1 3.88Å; F670-L703 HydrophobicContact CZ-CD2 4.39Å; L700-L703 HydrophobicContact CD2-CD1 4.03Å; L700-L703 PolarHBondContact O-N 3.18Å; L703-D707 HydrophobicContact CB-CB 4.21Å; L703-D707 HydrophobicContact CD2-CB 3.92Å; L703-M708 HydrophobicContact CB-CE 4.09Å; L703-M708 HydrophobicContact CD1-CE 4.33Å; L703-M708 HydrophobicContact CD1-SD 4.48Å
704	S	88.4	Confident	88.2	Confident	41 Å²	41	55 Å²	55	29%	0.287	31%	0.312	S	S	.	.			trans	-81.6	168.8	172.3	74.8	0	0	0	0	111.8	D706 D707 M708	S704-D706 VanDerWaalsContact C-N 3.27Å; S704-D706 PolarHBondContact O-N 3.05Å; S704-D706 PolarHBondContact OG-N 3.44Å; S704-D707 PolarHBondContact N-OD2 3.4Å; S704-D707 WeakPolarHBondContact O-CB 3.5Å; S704-D707 PolarHBondContact O-N 2.87Å; S704-D707 VanDerWaalsContact O-N 3.15Å; S704-D707 VanDerWaalsContact OG-CG 3.27Å; S704-D707 PolarHBondContact OG-N 2.86Å; S704-D707 PolarHBondContact OG-OD2 3.35Å; S704-D707 VanDerWaalsContact OG-OD2 3.08Å; S704-M708 WeakPolarHBondContact O-CG 3.34Å; S704-M708 PolarHBondContact O-N 3Å
705	C	85.6	Confident	88.5	Confident	108 Å²	108	59.2 Å²	59.2	73%	0.73	32%	0.324	S	S	*	.	H	α-helix	trans	-59.3	-38.4	172.7	-58.8	0	0	0	0	112.1	D707 M708	C705-D707 VanDerWaalsContact C-N 3.31Å; C705-D707 PolarHBondContact O-N 2.98Å; C705-M708 WeakPolarHBondContact O-CB 3.28Å; C705-M708 PolarHBondContact O-N 2.71Å; C705-M708 VanDerWaalsContact O-N 3.14Å
706	D	85.1	Confident	88.6	Confident	136 Å²	136	54 Å²	54	73%	0.727	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-34.9	175.9	-53.3	-42.6	0	0	0	112.1	S704 M708	S704-D706 VanDerWaalsContact C-N 3.27Å; S704-D706 PolarHBondContact O-N 3.05Å; S704-D706 PolarHBondContact OG-N 3.44Å; D706-M708 VanDerWaalsContact C-N 3.27Å; D706-M708 PolarHBondContact O-N 2.85Å
707	D	87	Confident	88.9	Confident	12 Å²	12	53.6 Å²	53.6	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-28.7	175.1	-61.7	-45.3	0	0	0	111.8	V620 R668 F670 L703 S704 C705 A710	V620-D707 WeakPolarHBondContact CB-O 3.48Å; V620-D707 WeakPolarHBondContact CG1-O 3.22Å; V620-D707 WeakPolarHBondContact CG2-O 3.38Å; R668-D707 WeakPolarHBondContact CD-OD1 3.5Å; R668-D707 IonicContact CZ-OD1 3.47Å; R668-D707 IonicContact CZ-OD2 3.41Å; R668-D707 IonicContact NE-OD1 2.74Å; R668-D707 PolarHBondContact NE-OD1 3.36Å; R668-D707 IonicContact NE-OD2 2.75Å; R668-D707 PolarHBondContact NE-OD2 2.87Å; R668-D707 IonicContact NH2-OD1 3.6Å; R668-D707 PolarHBondContact NH2-OD1 3.46Å; R668-D707 IonicContact NH2-OD2 3.32Å; R668-D707 PolarHBondContact NH2-OD2 3.35Å; F670-D707 HydrophobicContact CE2-CB 3.98Å; F670-D707 WeakPolarHBondContact CE2-OD1 3.43Å; F670-D707 HydrophobicContact CZ-CB 4.25Å; L703-D707 HydrophobicContact CB-CB 4.21Å; L703-D707 HydrophobicContact CD2-CB 3.92Å; S704-D707 PolarHBondContact N-OD2 3.4Å; S704-D707 WeakPolarHBondContact O-CB 3.5Å; S704-D707 PolarHBondContact O-N 2.87Å; S704-D707 VanDerWaalsContact O-N 3.15Å; S704-D707 VanDerWaalsContact OG-CG 3.27Å; S704-D707 PolarHBondContact OG-N 2.86Å; S704-D707 PolarHBondContact OG-OD2 3.35Å; S704-D707 VanDerWaalsContact OG-OD2 3.08Å; C705-D707 VanDerWaalsContact C-N 3.31Å; C705-D707 PolarHBondContact O-N 2.98Å; D707-A710 WeakPolarHBondContact O-CB 3.36Å; D707-A710 PolarHBondContact O-N 3.24Å
708	M	86.8	Confident	89.1	Confident	52 Å²	52	52.7 Å²	52.7	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-74.7	-31.4	-177.5	-68.8	-71.6	-169.1	0	0	114	V620 S621 V624 L703 S704 C705 D706 A710	V620-M708 HydrophobicContact CG1-SD 4.24Å; S621-M708 VanDerWaalsContact CB-O 3.29Å; S621-M708 WeakPolarHBondContact CB-O 3.31Å; S621-M708 PolarHBondContact N-O 3.41Å; S621-M708 PolarHBondContact OG-O 3.45Å; V624-M708 HydrophobicContact CB-CE 4.41Å; V624-M708 HydrophobicContact CB-SD 4.34Å; V624-M708 HydrophobicContact CG1-CE 4.29Å; V624-M708 HydrophobicContact CG2-CE 3.85Å; V624-M708 HydrophobicContact CG2-SD 3.63Å; L703-M708 HydrophobicContact CB-CE 4.09Å; L703-M708 HydrophobicContact CD1-CE 4.33Å; L703-M708 HydrophobicContact CD1-SD 4.48Å; S704-M708 WeakPolarHBondContact O-CG 3.34Å; S704-M708 PolarHBondContact O-N 3Å; C705-M708 WeakPolarHBondContact O-CB 3.28Å; C705-M708 PolarHBondContact O-N 2.71Å; C705-M708 VanDerWaalsContact O-N 3.14Å; D706-M708 VanDerWaalsContact C-N 3.27Å; D706-M708 PolarHBondContact O-N 2.85Å; M708-A710 VanDerWaalsContact C-N 3.29Å
709	D	88	Confident	89.4	Confident	114 Å²	114	49.3 Å²	49.3	61%	0.61	28%	0.275	S	S	*	.	S	Bend	trans	-80.5	-11.6	176	-91.3	-18.5	0	0	0	112.9
710	A	89.2	Confident	89.5	Confident	18 Å²	18	52.9 Å²	52.9	15%	0.149	29%	0.29	C	S	.	.	S	Bend	trans	-69.8	156.2	177.4	0	0	0	0	0	112.6	R619 V620 F670 D707 M708	R619-A710 WeakPolarHBondContact CA-O 3.26Å; V620-A710 HydrophobicContact CG2-CB 4.34Å; V620-A710 PolarHBondContact N-O 2.9Å; F670-A710 HydrophobicContact CB-CB 4Å; F670-A710 HydrophobicContact CD1-CB 4.28Å; F670-A710 HydrophobicContact CD2-CB 3.92Å; F670-A710 HydrophobicContact CE2-CB 4.47Å; F670-A710 HydrophobicContact CG-CB 3.81Å; D707-A710 WeakPolarHBondContact O-CB 3.36Å; D707-A710 PolarHBondContact O-N 3.24Å; M708-A710 VanDerWaalsContact C-N 3.29Å
711	Y	91	Very high	89.6	Confident	99 Å²	99	55.6 Å²	55.6	39%	0.388	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.5	173.8	-77.4	-102.3	0	0	0	111	I617 M618 R619 L671	I617-Y711 HydrophobicContact CG2-CD1 4.21Å; M618-Y711 WeakPolarHBondContact O-CA 3.33Å; R619-Y711 HydrophobicContact CG-CD1 4.05Å; R619-Y711 HydrophobicContact CG-CD2 4.23Å; R619-Y711 HydrophobicContact CG-CE1 3.69Å; R619-Y711 HydrophobicContact CG-CE2 3.87Å; R619-Y711 HydrophobicContact CG-CG 4.32Å; R619-Y711 PolarHBondContact NE-OH 3.45Å; R619-Y711 PolarHBondContact NH2-OH 2.92Å; R619-Y711 VanDerWaalsContact NH2-OH 3.16Å; L671-Y711 PolarHBondContact N-O 3.13Å
712	L	91.8	Very high	89.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.3	178.6	-179.4	64.9	0	0	0	109.6	I617 M618 V620 L623 L661 L664 L665 V669 L714	I617-L712 WeakPolarHBondContact CA-O 3.3Å; M618-L712 PolarHBondContact N-O 3.38Å; M618-L712 PolarHBondContact O-N 3.45Å; V620-L712 HydrophobicContact CG2-CB 4.43Å; L623-L712 HydrophobicContact CD1-CD2 3.92Å; L661-L712 HydrophobicContact CD1-CD2 3.85Å; L664-L712 HydrophobicContact CB-CD1 4.48Å; L665-L712 HydrophobicContact CD2-CD2 4.44Å; V669-L712 WeakPolarHBondContact O-CD1 3.22Å; L712-L714 HydrophobicContact CD2-CD2 3.58Å; L712-L714 HydrophobicContact CG-CD2 3.82Å
713	D	92.2	Very high	90.1	Very high	16 Å²	16	50.9 Å²	50.9	9%	0.086	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.4	171	-173.1	-5.6	0	0	0	109.6	L671 R715 Y717	L671-D713 HydrophobicContact CD1-CB 4.19Å; D713-R715 VanDerWaalsContact OD1-CB 3.22Å; D713-R715 WeakPolarHBondContact OD1-CB 3.36Å; D713-R715 VanDerWaalsContact OD1-CG 3.23Å; D713-R715 WeakPolarHBondContact OD1-CG 3.49Å; D713-R715 IonicContact OD1-CZ 2.6Å; D713-R715 PolarHBondContact OD1-N 3.05Å; D713-R715 IonicContact OD1-NE 3.62Å; D713-R715 PolarHBondContact OD1-NE 3.12Å; D713-R715 IonicContact OD1-NH2 3.54Å; D713-R715 IonicContact OD2-CZ 2.72Å; D713-R715 IonicContact OD2-NE 3.31Å; D713-R715 PolarHBondContact OD2-NE 3.09Å; D713-R715 VanDerWaalsContact OD2-NE 3.16Å; D713-R715 IonicContact OD2-NH2 3.4Å; D713-R715 PolarHBondContact OD2-NH2 3.46Å; D713-Y717 VanDerWaalsContact O-CD2 3.32Å; D713-Y717 WeakPolarHBondContact O-CD2 3.49Å
714	L	92.8	Very high	90.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.			trans	-86.7	-16.6	-179.9	-60	-177	0	0	0	112.9	L614 Y615 P616 V637 I656 L661 L664 L712 Y717 M718	L614-L714 HydrophobicContact CB-CD1 3.91Å; L614-L714 HydrophobicContact CD1-CD1 3.99Å; Y615-L714 WeakPolarHBondContact O-CD1 3.22Å; P616-L714 PolarHBondContact O-N 3.08Å; V637-L714 HydrophobicContact CG2-CD1 4.12Å; I656-L714 HydrophobicContact CD1-CD2 3.92Å; L661-L714 HydrophobicContact CD1-CD2 4.19Å; L664-L714 HydrophobicContact CD1-CD2 4.2Å; L712-L714 HydrophobicContact CD2-CD2 3.58Å; L712-L714 HydrophobicContact CG-CD2 3.82Å; L714-Y717 PolarHBondContact O-N 2.63Å; L714-M718 PolarHBondContact O-N 3.4Å
715	R	91.4	Very high	90.9	Very high	114 Å²	114	50 Å²	50	43%	0.43	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-45.9	-168.7	-63.1	173.2	-64.4	175.1	4.6	114.4	P616 D713 Y717 M718	P616-R715 HydrophobicContact CB-CG 3.58Å; D713-R715 VanDerWaalsContact OD1-CB 3.22Å; D713-R715 WeakPolarHBondContact OD1-CB 3.36Å; D713-R715 VanDerWaalsContact OD1-CG 3.23Å; D713-R715 WeakPolarHBondContact OD1-CG 3.49Å; D713-R715 IonicContact OD1-CZ 2.6Å; D713-R715 PolarHBondContact OD1-N 3.05Å; D713-R715 IonicContact OD1-NE 3.62Å; D713-R715 PolarHBondContact OD1-NE 3.12Å; D713-R715 IonicContact OD1-NH2 3.54Å; D713-R715 IonicContact OD2-CZ 2.72Å; D713-R715 IonicContact OD2-NE 3.31Å; D713-R715 PolarHBondContact OD2-NE 3.09Å; D713-R715 VanDerWaalsContact OD2-NE 3.16Å; D713-R715 IonicContact OD2-NH2 3.4Å; D713-R715 PolarHBondContact OD2-NH2 3.46Å; R715-Y717 VanDerWaalsContact C-N 3.26Å; R715-Y717 PolarHBondContact O-N 3.08Å; R715-M718 HydrophobicContact CB-CE 4.46Å
716	P	89.5	Confident	91.4	Very high	29 Å²	29	47.9 Å²	47.9	19%	0.188	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.3	179.6	30.6	-33.8	0	0	0	114.1
717	Y	92.1	Very high	91.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.016	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-25.9	-170.7	-57.1	-62.8	0	0	0	114.6	N81 I83 L664 V669 M677 L681 D713 L714 R715	N81-Y717 WeakPolarHBondContact CB-O 3.17Å; N81-Y717 PolarHBondContact ND2-O 3.1Å; I83-Y717 HydrophobicContact CD1-CD1 3.8Å; I83-Y717 HydrophobicContact CD1-CE1 3.6Å; L664-Y717 HydrophobicContact CD1-CD2 4Å; L664-Y717 HydrophobicContact CD1-CG 4.07Å; L664-Y717 HydrophobicContact CD2-CD1 3.91Å; L664-Y717 HydrophobicContact CD2-CD2 3.41Å; L664-Y717 VanDerWaalsContact CD2-CD2 3.41Å; L664-Y717 HydrophobicContact CD2-CE1 4.04Å; L664-Y717 HydrophobicContact CD2-CE2 3.55Å; L664-Y717 HydrophobicContact CD2-CG 3.62Å; L664-Y717 HydrophobicContact CG-CD2 4.36Å; L664-Y717 HydrophobicContact CG-CG 4.38Å; V669-Y717 HydrophobicContact CG1-CE2 3.6Å; V669-Y717 WeakPolarHBondContact CG1-OH 3.39Å; M677-Y717 WeakPolarHBondContact CE-OH 3.39Å; L681-Y717 HydrophobicContact CB-CE1 3.95Å; L681-Y717 HydrophobicContact CD1-CD1 4.23Å; L681-Y717 HydrophobicContact CD1-CE1 4.22Å; L681-Y717 HydrophobicContact CG-CE1 4.27Å; D713-Y717 VanDerWaalsContact O-CD2 3.32Å; D713-Y717 WeakPolarHBondContact O-CD2 3.49Å; L714-Y717 PolarHBondContact O-N 2.63Å; R715-Y717 VanDerWaalsContact C-N 3.26Å; R715-Y717 PolarHBondContact O-N 3.08Å
718	M	92.1	Very high	92.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.03	25%	0.252	C	S	.	.	S	Bend	trans	-69.6	159.4	172.8	70.9	-170.4	-171.7	0	0	112	N81 V637 V653 I656 L714 R715 E720	N81-M718 WeakPolarHBondContact CB-O 3.39Å; V637-M718 HydrophobicContact CB-SD 3.83Å; V637-M718 HydrophobicContact CG1-SD 3.8Å; V637-M718 HydrophobicContact CG2-CB 4.24Å; V637-M718 HydrophobicContact CG2-SD 3.94Å; V653-M718 HydrophobicContact CG1-CE 4Å; I656-M718 HydrophobicContact CB-CB 4.29Å; L714-M718 PolarHBondContact O-N 3.4Å; R715-M718 HydrophobicContact CB-CE 4.46Å; M718-E720 HydrophobicContact CE-CG 4.14Å; M718-E720 PolarHBondContact O-N 2.89Å
719	C	92.9	Very high	92.5	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.095	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-71.3	118.8	159.9	-171.1	0	0	0	0	108.2	V79 G654 M655 A721	V79-C719 HydrophobicContact CG1-CB 4.31Å; G654-C719 CarbonylContact C-O 3.59Å; G654-C719 WeakPolarHBondContact CA-O 3.36Å; M655-C719 PolarHBondContact N-O 3.49Å; M655-C719 PolarHBondContact O-N 3.2Å; C719-A721 VanDerWaalsContact C-N 3.31Å
720	E	90.8	Very high	92.8	Very high	87 Å²	87	42.9 Å²	42.9	41%	0.407	23%	0.23	S	C	.	.	S	Bend	trans	-76.3	-18.8	-179.8	-63.6	-173	168.2	0	0	112.7	R82 M718	R82-E720 IonicContact CZ-OE1 3.16Å; R82-E720 IonicContact NE-OE1 3.16Å; R82-E720 PolarHBondContact NE-OE1 3.21Å; R82-E720 IonicContact NH2-OE1 2.74Å; R82-E720 PolarHBondContact NH2-OE1 3.31Å; R82-E720 IonicContact NH2-OE2 2.71Å; M718-E720 HydrophobicContact CE-CG 4.14Å; M718-E720 PolarHBondContact O-N 2.89Å
721	A	91	Very high	92.9	Very high	75 Å²	75	42.2 Å²	42.2	62%	0.62	22%	0.224	S	C	*	.	S	Bend	trans	-131	62.5	-177	0	0	0	0	0	112.6	C719	C719-A721 VanDerWaalsContact C-N 3.31Å
722	P	92.6	Very high	92.9	Very high	18 Å²	18	38.9 Å²	38.9	12%	0.117	21%	0.214	C	C	.	.			trans	-67	140.8	175.7	30.7	-35.8	0	0	0	111	L652 M655 S724	L652-P722 HydrophobicContact CD2-CG 4.19Å; L652-P722 HydrophobicContact CG-CG 4.43Å; M655-P722 HydrophobicContact CB-CB 3.96Å; M655-P722 HydrophobicContact CB-CG 4.29Å; M655-P722 HydrophobicContact CE-CB 3.86Å; P722-S724 PolarHBondContact O-N 2.97Å
723	Y	94.6	Very high	93	Very high	99 Å²	99	46.9 Å²	46.9	39%	0.388	24%	0.244	S	C	.	.			trans	-58	129.4	168.3	-68.4	-75.7	0	0	0	110.3	D77 L741 L743 L746 P747	D77-Y723 WeakPolarHBondContact OD2-CD2 3.48Å; Y723-L741 HydrophobicContact CD1-CD1 3.76Å; Y723-L741 HydrophobicContact CD2-CD1 4.01Å; Y723-L741 HydrophobicContact CE1-CD1 3.63Å; Y723-L741 HydrophobicContact CE2-CD1 3.88Å; Y723-L741 HydrophobicContact CG-CD1 3.95Å; Y723-L743 HydrophobicContact CD2-CD2 3.87Å; Y723-L743 HydrophobicContact CE2-CD2 4.46Å; Y723-L746 VanDerWaalsContact O-CD1 3.31Å; Y723-L746 WeakPolarHBondContact O-CD1 3.47Å; Y723-P747 WeakPolarHBondContact O-CD 3.46Å
724	S	95.1	Very high	93.1	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	24%	0.24	S	C	.	.			trans	-132.5	158.3	177.4	64	0	0	0	0	111	P722 P747	P722-S724 PolarHBondContact O-N 2.97Å; S724-P747 WeakPolarHBondContact CA-O 3.41Å
725	V	96.6	Very high	93.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.4	176.7	-68.3	0	0	0	0	111.7	A603 M729 V734 L737 L746 P747 V748 V749	A603-V725 HydrophobicContact CB-CG2 4.17Å; V725-M729 HydrophobicContact CB-SD 3.68Å; V725-M729 HydrophobicContact CG1-CE 4.06Å; V725-M729 HydrophobicContact CG1-SD 3.46Å; V725-M729 WeakPolarHBondContact CG1-SD 3.26Å; V725-V734 HydrophobicContact CG2-CG2 4.35Å; V725-L737 HydrophobicContact CG1-CD2 3.52Å; V725-L746 HydrophobicContact CG1-CD1 4.17Å; V725-L746 HydrophobicContact CG1-CD2 4.06Å; V725-L746 HydrophobicContact CG1-CG 4.37Å; V725-L746 HydrophobicContact CG2-CD2 4.19Å; V725-L746 HydrophobicContact CG2-CG 4.13Å; V725-P747 PolarHBondContact N-O 3.24Å; V725-V748 HydrophobicContact CG2-CG2 3.96Å; V725-V748 WeakPolarHBondContact O-CA 3.45Å; V725-V749 PolarHBondContact O-N 3.47Å
726	P	96.4	Very high	93	Very high	63 Å²	63	44.5 Å²	44.5	41%	0.409	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.1	171.9	27.8	-31.4	0	0	0	110.5	T728 M729 V749	P726-T728 PolarHBondContact O-N 2.86Å; P726-M729 HydrophobicContact CG-CB 4.2Å; P726-M729 WeakPolarHBondContact O-CB 3.09Å; P726-M729 PolarHBondContact O-N 3.09Å; P726-V749 CarbonylContact C-O 3.53Å; P726-V749 VanDerWaalsContact CA-O 3.29Å; P726-V749 WeakPolarHBondContact CA-O 3.34Å
727	E	93.9	Very high	93.2	Very high	52 Å²	52	45.5 Å²	45.5	24%	0.243	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.5	-177.9	68.9	-176.5	169.4	0	0	114.6	A603 Y604 V748 V749	A603-E727 PolarHBondContact N-O 3.07Å; Y604-E727 HydrophobicContact CD2-CB 4.41Å; Y604-E727 PolarHBondContact N-O 3.01Å; E727-V748 VanDerWaalsContact CA-CG1 3.49Å; E727-V748 HydrophobicContact CB-CG1 3.79Å; E727-V749 PolarHBondContact N-O 3.22Å
728	T	93.8	Very high	93.1	Very high	82 Å²	82	45.3 Å²	45.3	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.8	179.2	55.7	0	0	0	0	114.6	P726	P726-T728 PolarHBondContact O-N 2.86Å
729	M	94.9	Very high	92.9	Very high	32 Å²	32	45.6 Å²	45.6	16%	0.158	24%	0.24	C	C	.	.	S	Bend	trans	-66.4	136	-176.1	-169	163.9	171.4	0	0	111.9	R602 A603 V725 P726 R733 V734	R602-M729 CarbonylContact C-O 3.3Å; R602-M729 VanDerWaalsContact CA-O 3.26Å; R602-M729 WeakPolarHBondContact CA-O 3.48Å; A603-M729 PolarHBondContact N-O 3.28Å; V725-M729 HydrophobicContact CB-SD 3.68Å; V725-M729 HydrophobicContact CG1-CE 4.06Å; V725-M729 HydrophobicContact CG1-SD 3.46Å; V725-M729 WeakPolarHBondContact CG1-SD 3.26Å; P726-M729 HydrophobicContact CG-CB 4.2Å; P726-M729 WeakPolarHBondContact O-CB 3.09Å; P726-M729 PolarHBondContact O-N 3.09Å; M729-R733 HydrophobicContact CE-CB 3.52Å; M729-R733 HydrophobicContact CG-CB 4.03Å; M729-V734 HydrophobicContact CB-CG2 4.14Å; M729-V734 HydrophobicContact CG-CG2 3.91Å; M729-V734 HydrophobicContact SD-CG2 4.33Å
730	T	93.7	Very high	92.5	Very high	42 Å²	42	49.1 Å²	49.1	26%	0.258	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-68.8	145.3	-178.8	56.5	0	0	0	0	112.4	K601 T732 R733 V734	K601-T730 CarbonylContact O-C 3.49Å; K601-T730 WeakPolarHBondContact O-CA 3.41Å; T730-T732 PolarHBondContact O-N 3.01Å; T730-T732 VanDerWaalsContact O-N 3.13Å; T730-R733 PolarHBondContact O-N 2.43Å; T730-V734 WeakPolarHBondContact O-CG2 3.13Å; T730-V734 PolarHBondContact O-N 3.39Å
731	M	92	Very high	92.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-51.7	-38.7	178.1	-179.8	-171.4	-171.6	0	0	111.2	S598 K601 L606 R733 V734 Y735 L764 F767 F769	S598-M731 WeakPolarHBondContact O-CB 3.48Å; K601-M731 HydrophobicContact CB-CB 4.03Å; K601-M731 HydrophobicContact CB-SD 4.37Å; K601-M731 PolarHBondContact O-N 2.91Å; L606-M731 HydrophobicContact CD1-CB 3.76Å; L606-M731 HydrophobicContact CD1-CG 3.67Å; L606-M731 HydrophobicContact CD2-CB 4.4Å; L606-M731 HydrophobicContact CD2-CE 4.09Å; L606-M731 HydrophobicContact CD2-CG 3.93Å; L606-M731 HydrophobicContact CD2-SD 3.91Å; L606-M731 HydrophobicContact CG-CG 4.4Å; M731-R733 PolarHBondContact O-N 3.34Å; M731-V734 PolarHBondContact O-N 3.2Å; M731-Y735 WeakPolarHBondContact O-CB 3.36Å; M731-Y735 PolarHBondContact O-N 3.21Å; M731-L764 WeakPolarHBondContact CE-O 3.47Å; M731-F767 HydrophobicContact CE-CD2 4.43Å; M731-F769 HydrophobicContact CE-CE2 4.28Å; M731-F769 HydrophobicContact SD-CE2 4.28Å; M731-F769 HydrophobicContact SD-CZ 4.17Å
732	T	91.5	Very high	92	Very high	29 Å²	29	43.9 Å²	43.9	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-48.7	176	-36.6	0	0	0	0	112	P594 S598 V599 T730 H736	P594-T732 HydrophobicContact CG-CG2 3.76Å; S598-T732 PolarHBondContact OG-OG1 3.25Å; V599-T732 WeakPolarHBondContact CA-OG1 3.33Å; V599-T732 WeakPolarHBondContact CG2-OG1 3.5Å; V599-T732 PolarHBondContact N-OG1 2.83Å; T730-T732 PolarHBondContact O-N 3.01Å; T730-T732 VanDerWaalsContact O-N 3.13Å; T732-H736 PolarHBondContact O-CD2 2.73Å; T732-H736 PolarHBondContact O-N 3.03Å; T732-H736 VanDerWaalsContact O-N 3.13Å
733	R	93.8	Very high	91.9	Very high	167 Å²	167	43.2 Å²	43.2	63%	0.63	22%	0.218	S	C	*	.	H	α-helix	trans	-72.4	-39.3	179.6	-66.8	-176.1	65.9	-179.6	-1	112	M729 T730 M731 Y735 H736 L737	M729-R733 HydrophobicContact CE-CB 3.52Å; M729-R733 HydrophobicContact CG-CB 4.03Å; T730-R733 PolarHBondContact O-N 2.43Å; M731-R733 PolarHBondContact O-N 3.34Å; R733-Y735 VanDerWaalsContact C-N 3.32Å; R733-H736 PolarHBondContact O-N 2.68Å; R733-L737 WeakPolarHBondContact O-CB 3.46Å; R733-L737 PolarHBondContact O-N 2.99Å
734	V	94.5	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-45	174.4	177.9	0	0	0	0	110.6	A603 V725 M729 T730 M731 L737 F738 L746 I759 L764	A603-V734 HydrophobicContact CB-CG2 4.07Å; V725-V734 HydrophobicContact CG2-CG2 4.35Å; M729-V734 HydrophobicContact CB-CG2 4.14Å; M729-V734 HydrophobicContact CG-CG2 3.91Å; M729-V734 HydrophobicContact SD-CG2 4.33Å; T730-V734 WeakPolarHBondContact O-CG2 3.13Å; T730-V734 PolarHBondContact O-N 3.39Å; M731-V734 PolarHBondContact O-N 3.2Å; V734-L737 PolarHBondContact O-N 3.46Å; V734-F738 VanDerWaalsContact O-CB 3.31Å; V734-F738 WeakPolarHBondContact O-CB 3.41Å; V734-F738 PolarHBondContact O-N 3.19Å; V734-L746 HydrophobicContact CG1-CD2 3.76Å; V734-I759 HydrophobicContact CG1-CD1 3.85Å; V734-I759 HydrophobicContact CG1-CG2 4.34Å; V734-L764 HydrophobicContact CG1-CD2 4.17Å
735	Y	91.7	Very high	91.5	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-47.6	-179.9	-173.7	-82.6	0	0	0	112	L590 P591 P594 M731 R733 F738 R739	L590-Y735 HydrophobicContact CB-CE2 4.47Å; L590-Y735 WeakPolarHBondContact CB-OH 3.31Å; L590-Y735 HydrophobicContact CD2-CE2 3.99Å; P591-Y735 WeakPolarHBondContact CD-OH 3.04Å; P591-Y735 WeakPolarHBondContact CG-OH 3.29Å; P591-Y735 PolarHBondContact O-OH 3.35Å; P594-Y735 HydrophobicContact CB-CD1 3.78Å; P594-Y735 HydrophobicContact CB-CD2 4.2Å; P594-Y735 HydrophobicContact CB-CE1 4.19Å; P594-Y735 HydrophobicContact CB-CG 3.8Å; P594-Y735 HydrophobicContact CG-CD1 3.96Å; P594-Y735 HydrophobicContact CG-CG 4.32Å; M731-Y735 WeakPolarHBondContact O-CB 3.36Å; M731-Y735 PolarHBondContact O-N 3.21Å; R733-Y735 VanDerWaalsContact C-N 3.32Å; Y735-F738 PolarHBondContact O-N 3.15Å; Y735-R739 VanDerWaalsContact O-CB 3.28Å; Y735-R739 WeakPolarHBondContact O-CB 3.38Å; Y735-R739 PolarHBondContact O-N 3.4Å
736	H	90.6	Very high	91.5	Very high	74 Å²	74	38.3 Å²	38.3	34%	0.343	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-44.7	175.6	-74.9	-62.1	0	0	0	111.8	T732 R733 R739 L740	T732-H736 PolarHBondContact O-CD2 2.73Å; T732-H736 PolarHBondContact O-N 3.03Å; T732-H736 VanDerWaalsContact O-N 3.13Å; R733-H736 PolarHBondContact O-N 2.68Å; H736-R739 PolarHBondContact O-N 3.43Å; H736-L740 HydrophobicContact CB-CD1 4.24Å; H736-L740 WeakPolarHBondContact O-CB 3.36Å; H736-L740 WeakPolarHBondContact O-CD1 3.45Å; H736-L740 WeakPolarHBondContact O-CG 3.35Å; H736-L740 PolarHBondContact O-N 3.33Å
737	L	92	Very high	91.4	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-58	-51.4	176.2	-175.7	70.8	0	0	0	111.6	V725 R733 V734 R739 L741 L746	V725-L737 HydrophobicContact CG1-CD2 3.52Å; R733-L737 WeakPolarHBondContact O-CB 3.46Å; R733-L737 PolarHBondContact O-N 2.99Å; V734-L737 PolarHBondContact O-N 3.46Å; L737-R739 PolarHBondContact O-N 2.78Å; L737-L741 HydrophobicContact CD1-CD1 3.53Å; L737-L741 HydrophobicContact CD1-CG 4.41Å; L737-L741 HydrophobicContact CG-CD1 4.11Å; L737-L741 WeakPolarHBondContact O-CB 3.39Å; L737-L741 PolarHBondContact O-N 3.1Å; L737-L741 VanDerWaalsContact O-N 3.15Å; L737-L746 HydrophobicContact CD2-CD1 4.34Å; L737-L746 HydrophobicContact CD2-CD2 4.39Å
738	F	91.2	Very high	91.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-43.6	-178.1	-166.4	-79.1	0	0	0	112.2	L590 V734 Y735 G742 L743 L746 R761 L764	L590-F738 HydrophobicContact CD1-CD1 3.83Å; L590-F738 HydrophobicContact CD1-CE1 4.07Å; V734-F738 VanDerWaalsContact O-CB 3.31Å; V734-F738 WeakPolarHBondContact O-CB 3.41Å; V734-F738 PolarHBondContact O-N 3.19Å; Y735-F738 PolarHBondContact O-N 3.15Å; F738-G742 PolarHBondContact O-N 3.22Å; F738-G742 VanDerWaalsContact O-N 3.11Å; F738-L743 HydrophobicContact CD2-CB 3.92Å; F738-L743 HydrophobicContact CD2-CD1 4.5Å; F738-L743 WeakPolarHBondContact CE1-O 3.34Å; F738-L743 HydrophobicContact CE2-CB 4.02Å; F738-L743 HydrophobicContact CG-CB 4.2Å; F738-L743 HydrophobicContact CZ-CB 4.38Å; F738-L743 WeakPolarHBondContact CZ-O 3.36Å; F738-L743 PolarHBondContact O-N 3.29Å; F738-L746 HydrophobicContact CD2-CB 3.93Å; F738-L746 HydrophobicContact CD2-CD2 4.08Å; F738-L746 HydrophobicContact CE2-CB 4.19Å; F738-R761 HydrophobicContact CE1-CB 3.89Å; F738-R761 HydrophobicContact CZ-CB 4.01Å; F738-R761 VanDerWaalsContact CZ-N 3.25Å; F738-L764 HydrophobicContact CB-CD1 3.63Å; F738-L764 HydrophobicContact CD1-CD1 3.59Å; F738-L764 HydrophobicContact CD2-CD1 3.87Å; F738-L764 HydrophobicContact CE1-CD1 4.2Å; F738-L764 HydrophobicContact CE2-CD1 4.44Å; F738-L764 HydrophobicContact CG-CD1 3.41Å; F738-L764 VanDerWaalsContact CG-CD1 3.41Å
739	R	87	Confident	91.6	Very high	12 Å²	12	29.4 Å²	29.4	5%	0.045	14%	0.14	C	C	.	.	H	α-helix	trans	-71.8	-45.7	179.6	179.9	174.8	170.3	72.4	8.9	112.8	N192 S295 L590 P591 W592 Y735 H736 L737 G742	N192-R739 PolarHBondContact ND2-NH1 2.88Å; S295-R739 WeakPolarHBondContact CB-O 3.4Å; S295-R739 PolarHBondContact OG-NH1 2.9Å; L590-R739 PolarHBondContact O-NH1 2.95Å; P591-R739 WeakPolarHBondContact O-CD 3.4Å; P591-R739 PolarHBondContact O-NE 3.37Å; W592-R739 VanDerWaalsContact CD2-NH2 3.28Å; W592-R739 VanDerWaalsContact CE3-NH2 3.29Å; Y735-R739 VanDerWaalsContact O-CB 3.28Å; Y735-R739 WeakPolarHBondContact O-CB 3.38Å; Y735-R739 PolarHBondContact O-N 3.4Å; H736-R739 PolarHBondContact O-N 3.43Å; L737-R739 PolarHBondContact O-N 2.78Å; R739-G742 PolarHBondContact O-N 3.42Å
740	L	85.2	Confident	91.5	Very high	89 Å²	89	28.6 Å²	28.6	47%	0.466	14%	0.136	S	C	.	.	H	α-helix	trans	-74.2	-25.6	-174	-67.8	171.6	0	0	0	113.4	F296 H736	F296-L740 WeakPolarHBondContact CB-O 3.29Å; F296-L740 WeakPolarHBondContact CD1-O 3.43Å; F296-L740 VanDerWaalsContact CG-O 3.29Å; F296-L740 WeakPolarHBondContact CG-O 3.33Å; H736-L740 HydrophobicContact CB-CD1 4.24Å; H736-L740 WeakPolarHBondContact O-CB 3.36Å; H736-L740 WeakPolarHBondContact O-CD1 3.45Å; H736-L740 WeakPolarHBondContact O-CG 3.35Å; H736-L740 PolarHBondContact O-N 3.33Å
741	L	85.1	Confident	91.4	Very high	50 Å²	50	32.7 Å²	32.7	26%	0.262	17%	0.167	S	C	.	.	H	α-helix	trans	-93.6	-15.3	171.9	-62.3	174.3	0	0	0	112.7	Y723 L737 L743	Y723-L741 HydrophobicContact CD1-CD1 3.76Å; Y723-L741 HydrophobicContact CD2-CD1 4.01Å; Y723-L741 HydrophobicContact CE1-CD1 3.63Å; Y723-L741 HydrophobicContact CE2-CD1 3.88Å; Y723-L741 HydrophobicContact CG-CD1 3.95Å; L737-L741 HydrophobicContact CD1-CD1 3.53Å; L737-L741 HydrophobicContact CD1-CG 4.41Å; L737-L741 HydrophobicContact CG-CD1 4.11Å; L737-L741 WeakPolarHBondContact O-CB 3.39Å; L737-L741 PolarHBondContact O-N 3.1Å; L737-L741 VanDerWaalsContact O-N 3.15Å; L741-L743 HydrophobicContact CB-CD2 3.64Å; L741-L743 HydrophobicContact CB-CG 3.9Å; L741-L743 HydrophobicContact CD1-CD2 4.36Å
742	G	86	Confident	91.4	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	35.5	-179.5	0	0	0	0	0	113.7	F738 R739	F738-G742 PolarHBondContact O-N 3.22Å; F738-G742 VanDerWaalsContact O-N 3.11Å; R739-G742 PolarHBondContact O-N 3.42Å
743	L	89.5	Confident	91.4	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.205	C	C	.	.			trans	-66.6	156.7	-174.9	-52.5	-176	0	0	0	112.4	D77 Y723 F738 L741 L746	D77-L743 HydrophobicContact CB-CD2 4.01Å; Y723-L743 HydrophobicContact CD2-CD2 3.87Å; Y723-L743 HydrophobicContact CE2-CD2 4.46Å; F738-L743 HydrophobicContact CD2-CB 3.92Å; F738-L743 HydrophobicContact CD2-CD1 4.5Å; F738-L743 WeakPolarHBondContact CE1-O 3.34Å; F738-L743 HydrophobicContact CE2-CB 4.02Å; F738-L743 HydrophobicContact CG-CB 4.2Å; F738-L743 HydrophobicContact CZ-CB 4.38Å; F738-L743 WeakPolarHBondContact CZ-O 3.36Å; F738-L743 PolarHBondContact O-N 3.29Å; L741-L743 HydrophobicContact CB-CD2 3.64Å; L741-L743 HydrophobicContact CB-CG 3.9Å; L741-L743 HydrophobicContact CD1-CD2 4.36Å; L743-L746 HydrophobicContact CD1-CB 4.42Å; L743-L746 HydrophobicContact CD1-CD1 3.93Å; L743-L746 HydrophobicContact CD1-CD2 4.47Å
744	R	89.9	Confident	91.4	Very high	20 Å²	20	33.7 Å²	33.7	8%	0.075	18%	0.178	C	C	.	.	S	Bend	trans	-103.8	-42.1	169.8	-170.3	179	177.9	160.5	9.3	111.8	E72 G73 D75 H633	E72-R744 IonicContact OE2-CZ 2.75Å; E72-R744 IonicContact OE2-NH2 3.7Å; E72-R744 PolarHBondContact OE2-NH2 3.5Å; G73-R744 PolarHBondContact O-NE 3.47Å; G73-R744 PolarHBondContact O-NH1 2.96Å; D75-R744 WeakPolarHBondContact OD1-CB 3.33Å; D75-R744 WeakPolarHBondContact OD1-CD 3.49Å; D75-R744 WeakPolarHBondContact OD2-CD 3.44Å; D75-R744 IonicContact OD2-CZ 3.76Å; D75-R744 IonicContact OD2-NE 3.76Å; D75-R744 IonicContact OD2-NH1 3.82Å; D75-R744 PolarHBondContact OD2-NH1 2.95Å; H633-R744 PolarHBondContact CD2-NH2 3.41Å; H633-R744 VanDerWaalsContact CG-NH2 3.28Å
745	H	93.2	Very high	91.4	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.116	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.3	-178.1	-47.1	104.4	0	0	0	109.3	M655 I758	M655-H745 HydrophobicContact CE-CB 4.15Å; M655-H745 HydrophobicContact SD-CB 3.83Å; H745-I758 HydrophobicContact CB-CG2 4.47Å
746	L	95.1	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	99.7	179.8	179	58.2	0	0	0	110	Y723 V725 V734 L737 F738 L743 I759	Y723-L746 VanDerWaalsContact O-CD1 3.31Å; Y723-L746 WeakPolarHBondContact O-CD1 3.47Å; V725-L746 HydrophobicContact CG1-CD1 4.17Å; V725-L746 HydrophobicContact CG1-CD2 4.06Å; V725-L746 HydrophobicContact CG1-CG 4.37Å; V725-L746 HydrophobicContact CG2-CD2 4.19Å; V725-L746 HydrophobicContact CG2-CG 4.13Å; V734-L746 HydrophobicContact CG1-CD2 3.76Å; L737-L746 HydrophobicContact CD2-CD1 4.34Å; L737-L746 HydrophobicContact CD2-CD2 4.39Å; F738-L746 HydrophobicContact CD2-CB 3.93Å; F738-L746 HydrophobicContact CD2-CD2 4.08Å; F738-L746 HydrophobicContact CE2-CB 4.19Å; L743-L746 HydrophobicContact CD1-CB 4.42Å; L743-L746 HydrophobicContact CD1-CD1 3.93Å; L743-L746 HydrophobicContact CD1-CD2 4.47Å; L746-I759 HydrophobicContact CB-CB 4.36Å; L746-I759 PolarHBondContact N-O 2.88Å; L746-I759 PolarHBondContact O-N 3.04Å
747	P	95.4	Very high	91.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	135.3	173.5	-27.7	35.9	0	0	0	113	L652 M655 Y723 S724 V725	L652-P747 HydrophobicContact CD2-CB 3.88Å; L652-P747 HydrophobicContact CD2-CG 4.3Å; M655-P747 HydrophobicContact CE-CG 3.87Å; Y723-P747 WeakPolarHBondContact O-CD 3.46Å; S724-P747 WeakPolarHBondContact CA-O 3.41Å; V725-P747 PolarHBondContact N-O 3.24Å
748	V	96.7	Very high	91.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.7	171.3	-175.1	0	0	0	0	108.2	A603 M607 V725 E727 R756 G757 I759	A603-V748 HydrophobicContact CB-CG1 3.93Å; A603-V748 HydrophobicContact CB-CG2 4.22Å; M607-V748 HydrophobicContact CB-CB 4.33Å; M607-V748 HydrophobicContact CB-CG2 3.85Å; M607-V748 HydrophobicContact SD-CB 3.84Å; M607-V748 HydrophobicContact SD-CG1 3.7Å; M607-V748 HydrophobicContact SD-CG2 4.35Å; V725-V748 HydrophobicContact CG2-CG2 3.96Å; V725-V748 WeakPolarHBondContact O-CA 3.45Å; E727-V748 VanDerWaalsContact CA-CG1 3.49Å; E727-V748 HydrophobicContact CB-CG1 3.79Å; V748-R756 PolarHBondContact O-N 3.31Å; V748-G757 PolarHBondContact N-O 2.86Å; V748-G757 PolarHBondContact O-N 2.95Å; V748-I759 HydrophobicContact CG2-CD1 3.54Å; V748-I759 HydrophobicContact CG2-CG1 3.67Å
749	V	95.4	Very high	91.9	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.4	-176.7	-63.4	0	0	0	0	112.1	L652 V725 P726 E727 Q754	L652-V749 HydrophobicContact CB-CG1 4.19Å; L652-V749 HydrophobicContact CD2-CG1 3.96Å; V725-V749 PolarHBondContact O-N 3.47Å; P726-V749 CarbonylContact C-O 3.53Å; P726-V749 VanDerWaalsContact CA-O 3.29Å; P726-V749 WeakPolarHBondContact CA-O 3.34Å; E727-V749 PolarHBondContact N-O 3.22Å; V749-Q754 WeakPolarHBondContact CA-O 3.27Å
750	D	93	Very high	92	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.08	17%	0.169	C	C	.	.			trans	-94.6	-171.8	170.9	70.5	8.2	0	0	0	112.7	Q752 N753 Q754 R756	D750-Q752 PolarHBondContact O-N 3.46Å; D750-Q752 VanDerWaalsContact OD1-C 3.28Å; D750-Q752 VanDerWaalsContact OD1-CA 3.31Å; D750-Q752 WeakPolarHBondContact OD1-CA 3.44Å; D750-Q752 WeakPolarHBondContact OD1-CB 3.48Å; D750-Q752 PolarHBondContact OD1-N 3.39Å; D750-N753 PolarHBondContact O-N 2.99Å; D750-N753 VanDerWaalsContact O-N 3.12Å; D750-N753 PolarHBondContact OD1-N 2.87Å; D750-N753 VanDerWaalsContact OD1-N 3.14Å; D750-Q754 PolarHBondContact N-O 2.91Å; D750-Q754 VanDerWaalsContact N-O 3.12Å; D750-Q754 WeakPolarHBondContact OD1-CB 3.3Å; D750-Q754 PolarHBondContact OD1-N 3.17Å; D750-Q754 WeakPolarHBondContact OD2-CB 3.22Å; D750-R756 HydrophobicContact CB-CG 4Å; D750-R756 IonicContact OD2-CZ 2.86Å; D750-R756 IonicContact OD2-NE 2.64Å; D750-R756 PolarHBondContact OD2-NE 2.95Å; D750-R756 IonicContact OD2-NH2 3.91Å; D750-R756 PolarHBondContact OD2-NH2 3.48Å
751	S	91.1	Very high	92.1	Very high	128 Å²	128	28 Å²	28	90%	0.895	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.2	176.7	54.4	0	0	0	0	114.9
752	Q	91.3	Very high	92	Very high	144 Å²	144	28 Å²	28	67%	0.673	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	15.8	174.6	-64	-176	-11.3	0	0	111.7	D750 Q754	D750-Q752 PolarHBondContact O-N 3.46Å; D750-Q752 VanDerWaalsContact OD1-C 3.28Å; D750-Q752 VanDerWaalsContact OD1-CA 3.31Å; D750-Q752 WeakPolarHBondContact OD1-CA 3.44Å; D750-Q752 WeakPolarHBondContact OD1-CB 3.48Å; D750-Q752 PolarHBondContact OD1-N 3.39Å; Q752-Q754 HydrophobicContact CB-CG 4.04Å; Q752-Q754 PolarHBondContact O-N 3.22Å; Q752-Q754 VanDerWaalsContact O-N 3.12Å; Q752-Q754 PolarHBondContact O-NE2 3.25Å
753	N	92.3	Very high	92	Very high	61 Å²	61	28.1 Å²	28.1	33%	0.326	15%	0.148	S	C	.	.			trans	54.9	23.7	-175.2	-168.2	45.2	0	0	0	113.6	T651 L652 D750	T651-N753 CarbonylContact C-O 3.17Å; T651-N753 WeakPolarHBondContact CA-O 3.21Å; T651-N753 HydrophobicContact CG2-CB 4.18Å; L652-N753 PolarHBondContact N-O 2.89Å; L652-N753 PolarHBondContact O-ND2 2.69Å; D750-N753 PolarHBondContact O-N 2.99Å; D750-N753 VanDerWaalsContact O-N 3.12Å; D750-N753 PolarHBondContact OD1-N 2.87Å; D750-N753 VanDerWaalsContact OD1-N 3.14Å
754	Q	93.4	Very high	91.8	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.079	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-75.3	135.1	173.3	-54.9	-57.5	-68.8	0	0	109.6	G650 T651 V749 D750 Q752 R756	G650-Q754 CarbonylContact O-C 3.53Å; G650-Q754 WeakPolarHBondContact O-CA 3.27Å; T651-Q754 PolarHBondContact OG1-NE2 3.45Å; V749-Q754 WeakPolarHBondContact CA-O 3.27Å; D750-Q754 PolarHBondContact N-O 2.91Å; D750-Q754 VanDerWaalsContact N-O 3.12Å; D750-Q754 WeakPolarHBondContact OD1-CB 3.3Å; D750-Q754 PolarHBondContact OD1-N 3.17Å; D750-Q754 WeakPolarHBondContact OD2-CB 3.22Å; Q752-Q754 HydrophobicContact CB-CG 4.04Å; Q752-Q754 PolarHBondContact O-N 3.22Å; Q752-Q754 VanDerWaalsContact O-N 3.12Å; Q752-Q754 PolarHBondContact O-NE2 3.25Å; Q754-R756 PolarHBondContact O-N 3.35Å
755	V	95.1	Very high	91.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124	173.4	178.8	0	0	0	0	109.5	V611 P636 V638 Y649 G650 L652	V611-V755 HydrophobicContact CB-CG1 4.48Å; V611-V755 HydrophobicContact CG1-CG1 4.14Å; V611-V755 HydrophobicContact CG2-CG1 4.24Å; P636-V755 HydrophobicContact CB-CG2 4.38Å; P636-V755 HydrophobicContact CG-CG1 4.38Å; V638-V755 HydrophobicContact CG1-CB 4.39Å; V638-V755 HydrophobicContact CG1-CG2 3.71Å; Y649-V755 WeakPolarHBondContact CB-O 3.17Å; Y649-V755 WeakPolarHBondContact CD2-O 3.4Å; Y649-V755 PolarHBondContact N-O 3.34Å; G650-V755 PolarHBondContact O-N 3Å; L652-V755 HydrophobicContact CB-CG2 3.76Å; L652-V755 HydrophobicContact CD1-CG2 3.82Å; L652-V755 HydrophobicContact CG-CG2 4.3Å
756	R	93.2	Very high	90.4	Very high	43 Å²	43	32.8 Å²	32.8	16%	0.162	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-31.1	179.2	-60.9	-52.1	-170.7	152.4	-2.4	113.2	M607 R646 F647 V748 D750 Q754	M607-R756 HydrophobicContact CE-CB 3.95Å; M607-R756 HydrophobicContact SD-CB 3.97Å; R646-R756 PolarHBondContact O-NH1 3.17Å; F647-R756 WeakPolarHBondContact O-CD 3.41Å; F647-R756 PolarHBondContact O-NH1 2.9Å; V748-R756 PolarHBondContact O-N 3.31Å; D750-R756 HydrophobicContact CB-CG 4Å; D750-R756 IonicContact OD2-CZ 2.86Å; D750-R756 IonicContact OD2-NE 2.64Å; D750-R756 PolarHBondContact OD2-NE 2.95Å; D750-R756 IonicContact OD2-NH2 3.91Å; D750-R756 PolarHBondContact OD2-NH2 3.48Å; Q754-R756 PolarHBondContact O-N 3.35Å
757	G	93.7	Very high	89.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	176.8	-178.4	0	0	0	0	0	112	S608 V611 V748	S608-G757 WeakPolarHBondContact O-CA 3.45Å; V611-G757 VanDerWaalsContact CG2-CA 3.41Å; V748-G757 PolarHBondContact N-O 2.86Å; V748-G757 PolarHBondContact O-N 2.95Å
758	I	94	Very high	87.9	Confident	20 Å²	20	35.4 Å²	35.4	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.1	167.4	-73.8	178.8	0	0	0	109.2	S608 V611 P636 H745 T760	S608-I758 PolarHBondContact N-O 3.14Å; S608-I758 PolarHBondContact O-N 2.58Å; S608-I758 VanDerWaalsContact O-N 3.16Å; V611-I758 HydrophobicContact CG1-CD1 4.05Å; V611-I758 HydrophobicContact CG1-CG1 4.31Å; P636-I758 HydrophobicContact CG-CD1 4.04Å; H745-I758 HydrophobicContact CB-CG2 4.47Å; I758-T760 HydrophobicContact CG2-CG2 4.04Å
759	I	93.6	Very high	86.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	169.2	-68.1	172	0	0	0	108.7	A603 L606 M607 V734 L746 V748 L764	A603-I759 HydrophobicContact CB-CD1 3.97Å; L606-I759 HydrophobicContact CB-CD1 3.84Å; L606-I759 HydrophobicContact CB-CG1 4.1Å; L606-I759 HydrophobicContact CD1-CD1 4.08Å; M607-I759 HydrophobicContact CB-CG1 3.97Å; V734-I759 HydrophobicContact CG1-CD1 3.85Å; V734-I759 HydrophobicContact CG1-CG2 4.34Å; L746-I759 HydrophobicContact CB-CB 4.36Å; L746-I759 PolarHBondContact N-O 2.88Å; L746-I759 PolarHBondContact O-N 3.04Å; V748-I759 HydrophobicContact CG2-CD1 3.54Å; V748-I759 HydrophobicContact CG2-CG1 3.67Å; I759-L764 HydrophobicContact CG2-CD1 4.25Å; I759-L764 HydrophobicContact CG2-CD2 3.94Å; I759-L764 HydrophobicContact CG2-CG 3.76Å
760	T	90.7	Very high	84.7	Confident	35 Å²	35	39.2 Å²	39.2	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	175.4	170.9	79	0	0	0	0	110.5	I758 K762 D763 L764	I758-T760 HydrophobicContact CG2-CG2 4.04Å; T760-K762 PolarHBondContact O-N 2.99Å; T760-K762 PolarHBondContact OG1-N 3.39Å; T760-D763 WeakPolarHBondContact CA-OD2 3.02Å; T760-D763 VanDerWaalsContact CB-OD2 3.27Å; T760-D763 WeakPolarHBondContact CB-OD2 3.33Å; T760-D763 PolarHBondContact N-OD2 2.84Å; T760-D763 PolarHBondContact O-N 3.18Å; T760-D763 PolarHBondContact OG1-OD2 2.97Å; T760-L764 PolarHBondContact O-N 3.4Å; T760-L764 VanDerWaalsContact O-N 3.16Å
761	R	87.5	Confident	82.6	Confident	14 Å²	14	44.3 Å²	44.3	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-31.6	173	-175.2	173.3	-66.7	-102.5	2.4	113.4	N192 A588 L590 F738 R765	N192-R761 PolarHBondContact O-NH1 3.23Å; N192-R761 PolarHBondContact O-NH2 2.73Å; N192-R761 PolarHBondContact OD1-NH1 3.41Å; A588-R761 HydrophobicContact CB-CG 4.48Å; A588-R761 WeakPolarHBondContact O-CD 3.29Å; L590-R761 HydrophobicContact CD1-CG 4.15Å; L590-R761 HydrophobicContact CD2-CG 4.26Å; L590-R761 HydrophobicContact CG-CG 4.03Å; F738-R761 HydrophobicContact CE1-CB 3.89Å; F738-R761 HydrophobicContact CZ-CB 4.01Å; F738-R761 VanDerWaalsContact CZ-N 3.25Å; R761-R765 PolarHBondContact O-N 3.48Å
762	K	82.8	Confident	80.9	Confident	51 Å²	51	40.8 Å²	40.8	22%	0.222	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-41.9	179.8	-80.2	172.7	179.5	159.3	0	110.8	D68 Q69 I71 T760 R765 R766 F783	D68-K762 WeakPolarHBondContact O-CE 3.29Å; Q69-K762 PolarHBondContact O-NZ 3.19Å; I71-K762 WeakPolarHBondContact O-CE 3.46Å; I71-K762 PolarHBondContact O-NZ 3.26Å; T760-K762 PolarHBondContact O-N 2.99Å; T760-K762 PolarHBondContact OG1-N 3.39Å; K762-R765 PolarHBondContact O-N 2.98Å; K762-R766 PolarHBondContact O-N 3.37Å; K762-F783 HydrophobicContact CB-CD1 4.47Å; K762-F783 HydrophobicContact CB-CE1 3.66Å; K762-F783 HydrophobicContact CB-CZ 4.08Å; K762-F783 HydrophobicContact CG-CE1 4.14Å
763	D	85.7	Confident	79	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.7	-48.3	-84.8	0	0	0	112.1	L606 S608 T760 R765 R766	L606-D763 WeakPolarHBondContact O-CB 3.42Å; S608-D763 PolarHBondContact OG-OD1 2.97Å; T760-D763 WeakPolarHBondContact CA-OD2 3.02Å; T760-D763 VanDerWaalsContact CB-OD2 3.27Å; T760-D763 WeakPolarHBondContact CB-OD2 3.33Å; T760-D763 PolarHBondContact N-OD2 2.84Å; T760-D763 PolarHBondContact O-N 3.18Å; T760-D763 PolarHBondContact OG1-OD2 2.97Å; D763-R765 VanDerWaalsContact C-N 3.32Å; D763-R765 PolarHBondContact O-N 2.92Å; D763-R766 VanDerWaalsContact O-CB 3.26Å; D763-R766 WeakPolarHBondContact O-CB 3.48Å; D763-R766 PolarHBondContact O-N 3.29Å
764	L	85.8	Confident	76.9	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-28.4	177.3	-70.7	177.4	0	0	0	114.1	L590 L606 M731 V734 F738 I759 T760	L590-L764 HydrophobicContact CD2-CB 4.06Å; L606-L764 HydrophobicContact CD1-CD2 4.11Å; M731-L764 WeakPolarHBondContact CE-O 3.47Å; V734-L764 HydrophobicContact CG1-CD2 4.17Å; F738-L764 HydrophobicContact CB-CD1 3.63Å; F738-L764 HydrophobicContact CD1-CD1 3.59Å; F738-L764 HydrophobicContact CD2-CD1 3.87Å; F738-L764 HydrophobicContact CE1-CD1 4.2Å; F738-L764 HydrophobicContact CE2-CD1 4.44Å; F738-L764 HydrophobicContact CG-CD1 3.41Å; F738-L764 VanDerWaalsContact CG-CD1 3.41Å; I759-L764 HydrophobicContact CG2-CD1 4.25Å; I759-L764 HydrophobicContact CG2-CD2 3.94Å; I759-L764 HydrophobicContact CG2-CG 3.76Å; T760-L764 PolarHBondContact O-N 3.4Å; T760-L764 VanDerWaalsContact O-N 3.16Å
765	R	79.8	Confident	74.8	Confident	71 Å²	71	45.3 Å²	45.3	27%	0.268	24%	0.235	S	C	.	.	H	α-helix	trans	-93.1	-11.5	176.1	-168.5	50.8	170.1	156.7	-4.2	113.2	L67 L590 R761 K762 D763 F767 L781	L67-R765 HydrophobicContact CD1-CB 4.37Å; L67-R765 HydrophobicContact CD1-CG 4.34Å; L67-R765 HydrophobicContact CD2-CG 4.2Å; L590-R765 HydrophobicContact CD2-CB 4.42Å; R761-R765 PolarHBondContact O-N 3.48Å; K762-R765 PolarHBondContact O-N 2.98Å; D763-R765 VanDerWaalsContact C-N 3.32Å; D763-R765 PolarHBondContact O-N 2.92Å; R765-F767 PolarHBondContact O-N 3.07Å; R765-F767 VanDerWaalsContact O-N 3.12Å; R765-L781 WeakPolarHBondContact O-CD1 3.43Å
766	R	72.6	Confident	73.2	Confident	71 Å²	71	51.2 Å²	51.2	27%	0.268	26%	0.258	S	S	.	.	S	Bend	trans	-53.6	-31.4	-179	-170.7	-179.8	175.7	177.7	-7.2	113.6	K762 D763 E780 L781 F783	K762-R766 PolarHBondContact O-N 3.37Å; D763-R766 VanDerWaalsContact O-CB 3.26Å; D763-R766 WeakPolarHBondContact O-CB 3.48Å; D763-R766 PolarHBondContact O-N 3.29Å; R766-E780 HydrophobicContact CG-CG 3.7Å; R766-E780 IonicContact CZ-OE1 2.72Å; R766-E780 IonicContact CZ-OE2 3.18Å; R766-E780 IonicContact NE-OE1 2.85Å; R766-E780 PolarHBondContact NE-OE1 3.35Å; R766-E780 IonicContact NE-OE2 3.93Å; R766-E780 PolarHBondContact NE-OE2 2.8Å; R766-E780 IonicContact NH2-OE1 2.81Å; R766-E780 PolarHBondContact NH2-OE1 2.77Å; R766-E780 IonicContact NH2-OE2 3.48Å; R766-E780 PolarHBondContact NH2-OE2 2.76Å; R766-E780 WeakPolarHBondContact O-CA 3.38Å; R766-L781 PolarHBondContact O-N 3.35Å; R766-F783 HydrophobicContact CB-CZ 4.08Å; R766-F783 HydrophobicContact CG-CE2 4.17Å; R766-F783 HydrophobicContact CG-CZ 4Å
767	F	70.3	Confident	71.4	Confident	18 Å²	18	55.2 Å²	55.2	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108.2	-179.1	-57.2	-75.2	0	0	0	111	L606 M731 R765 F769 V778 E780	L606-F767 HydrophobicContact CD2-CD2 3.83Å; L606-F767 HydrophobicContact CD2-CE2 3.59Å; M731-F767 HydrophobicContact CE-CD2 4.43Å; R765-F767 PolarHBondContact O-N 3.07Å; R765-F767 VanDerWaalsContact O-N 3.12Å; F767-F769 HydrophobicContact CB-CD2 4.41Å; F767-F769 HydrophobicContact CB-CE2 3.71Å; F767-F769 HydrophobicContact CB-CZ 3.98Å; F767-V778 HydrophobicContact CB-CG1 4.11Å; F767-V778 HydrophobicContact CD1-CG1 3.84Å; F767-V778 HydrophobicContact CG-CG1 4.39Å; F767-E780 HydrophobicContact CD1-CG 4.44Å; F767-E780 HydrophobicContact CE1-CG 4.1Å; F767-E780 WeakPolarHBondContact CE1-OE1 3.39Å
768	K	67.7	Low	69.9	Low	37 Å²	37	57.8 Å²	57.8	16%	0.161	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.9	166.1	-158.4	-171.2	-165.8	-164.1	0	107.1	E64 E770 E779 L781	E64-K768 IonicContact OE2-NZ 3.39Å; E64-K768 PolarHBondContact OE2-NZ 2.93Å; K768-E770 HydrophobicContact CD-CG 4.16Å; K768-E770 VanDerWaalsContact CD-OE1 3.31Å; K768-E770 WeakPolarHBondContact CD-OE1 3.4Å; K768-E770 WeakPolarHBondContact CE-OE1 3.41Å; K768-E770 HydrophobicContact CG-CG 4.22Å; K768-E770 IonicContact NZ-OE1 3.34Å; K768-E770 PolarHBondContact NZ-OE1 3.41Å; K768-E779 HydrophobicContact CB-CB 4.42Å; K768-E779 PolarHBondContact N-O 3.13Å; K768-E779 PolarHBondContact O-N 2.9Å; K768-L781 HydrophobicContact CB-CD1 4.46Å; K768-L781 HydrophobicContact CB-CD2 4.05Å; K768-L781 HydrophobicContact CB-CG 4.27Å; K768-L781 HydrophobicContact CD-CD2 4.38Å
769	F	65.9	Low	68.4	Low	29 Å²	29	60.3 Å²	60.3	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.6	175.9	-62.4	-94.8	0	0	0	107.6	H595 L597 M731 F767 R777 V778	H595-F769 HydrophobicContact CB-CB 4.03Å; H595-F769 HydrophobicContact CB-CD2 3.75Å; H595-F769 HydrophobicContact CB-CE2 4.43Å; H595-F769 HydrophobicContact CB-CG 3.97Å; H595-F769 AromaticContact CG-CG 3.88Å; H595-F769 VanDerWaalsContact ND1-CB 3.3Å; H595-F769 WeakPolarHBondContact ND1-CB 3.45Å; H595-F769 AromaticContact ND1-CD1 3.91Å; H595-F769 AromaticContact ND1-CG 3.58Å; L597-F769 HydrophobicContact CB-CD1 3.67Å; L597-F769 HydrophobicContact CB-CE1 3.76Å; L597-F769 HydrophobicContact CD1-CD1 3.91Å; L597-F769 HydrophobicContact CG-CD1 4.44Å; M731-F769 HydrophobicContact CE-CE2 4.28Å; M731-F769 HydrophobicContact SD-CE2 4.28Å; M731-F769 HydrophobicContact SD-CZ 4.17Å; F767-F769 HydrophobicContact CB-CD2 4.41Å; F767-F769 HydrophobicContact CB-CE2 3.71Å; F767-F769 HydrophobicContact CB-CZ 3.98Å; F769-R777 WeakPolarHBondContact CA-O 3.47Å; F769-V778 HydrophobicContact CD1-CB 4.47Å; F769-V778 HydrophobicContact CD1-CG1 4.18Å; F769-V778 HydrophobicContact CD1-CG2 3.74Å; F769-V778 HydrophobicContact CE1-CG1 3.94Å; F769-V778 HydrophobicContact CE1-CG2 3.79Å; F769-V778 HydrophobicContact CZ-CG1 4.36Å
770	E	59.6	Low	67.1	Low	61 Å²	61	65.1 Å²	65.1	29%	0.285	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.3	178.4	-63.4	-159	166.2	0	0	110.8	K768 V772 Y776 R777	K768-E770 HydrophobicContact CD-CG 4.16Å; K768-E770 VanDerWaalsContact CD-OE1 3.31Å; K768-E770 WeakPolarHBondContact CD-OE1 3.4Å; K768-E770 WeakPolarHBondContact CE-OE1 3.41Å; K768-E770 HydrophobicContact CG-CG 4.22Å; K768-E770 IonicContact NZ-OE1 3.34Å; K768-E770 PolarHBondContact NZ-OE1 3.41Å; E770-V772 HydrophobicContact CB-CG2 4.01Å; E770-Y776 CarbonylContact O-C 3.58Å; E770-Y776 WeakPolarHBondContact O-CA 3.41Å; E770-R777 PolarHBondContact N-O 2.99Å; E770-R777 PolarHBondContact O-N 2.95Å
771	F	49.6	Very low	65.7	Low	123 Å²	123	64 Å²	64	54%	0.539	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108	172	-175.2	-107.1	0	0	0	108.4	G774 E775 Y776	F771-G774 VanDerWaalsContact CE2-C 3.47Å; F771-G774 VanDerWaalsContact CE2-O 3.27Å; F771-G774 WeakPolarHBondContact CE2-O 3.38Å; F771-E775 WeakPolarHBondContact CA-O 3.46Å; F771-Y776 HydrophobicContact CB-CD1 4.08Å; F771-Y776 HydrophobicContact CB-CE1 4.05Å; F771-Y776 AromaticContact CD2-CD1 3.64Å; F771-Y776 HydrophobicContact CD2-CD1 3.64Å; F771-Y776 AromaticContact CD2-CD2 3.92Å; F771-Y776 HydrophobicContact CD2-CD2 3.92Å; F771-Y776 AromaticContact CD2-CE1 3.59Å; F771-Y776 HydrophobicContact CD2-CE1 3.59Å; F771-Y776 AromaticContact CD2-CE2 3.85Å; F771-Y776 HydrophobicContact CD2-CE2 3.85Å; F771-Y776 AromaticContact CD2-CG 3.82Å; F771-Y776 HydrophobicContact CD2-CG 3.82Å; F771-Y776 AromaticContact CD2-CZ 3.69Å; F771-Y776 HydrophobicContact CE2-CD2 4.11Å; F771-Y776 HydrophobicContact CE2-CE1 4.4Å; F771-Y776 AromaticContact CE2-CE2 3.89Å; F771-Y776 HydrophobicContact CE2-CE2 3.89Å; F771-Y776 HydrophobicContact CE2-CG 4.46Å; F771-Y776 HydrophobicContact CG-CD1 4.32Å; F771-Y776 HydrophobicContact CG-CE1 4.14Å
772	V	54.6	Low	64.4	Low	54 Å²	54	66.6 Å²	66.6	33%	0.327	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.7	-172	-175.9	0	0	0	0	108.8	E770 G774 E775	E770-V772 HydrophobicContact CB-CG2 4.01Å; V772-G774 PolarHBondContact O-N 3.11Å; V772-G774 VanDerWaalsContact O-N 3.1Å; V772-E775 PolarHBondContact N-O 3.14Å; V772-E775 PolarHBondContact O-N 3.48Å
773	S	51.8	Low	63.3	Low	131 Å²	131	67 Å²	67	92%	0.916	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	29.7	175.5	-58.3	0	0	0	0	115.6
774	G	48.4	Very low	61.6	Low	53 Å²	53	69 Å²	69	55%	0.546	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-10.7	179.1	0	0	0	0	0	114.9	F771 V772	F771-G774 VanDerWaalsContact CE2-C 3.47Å; F771-G774 VanDerWaalsContact CE2-O 3.27Å; F771-G774 WeakPolarHBondContact CE2-O 3.38Å; V772-G774 PolarHBondContact O-N 3.11Å; V772-G774 VanDerWaalsContact O-N 3.1Å
775	E	49.6	Very low	59.9	Low	132 Å²	132	77.7 Å²	77.7	62%	0.617	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.7	176.7	-66.4	-170.6	144.9	0	0	111.9	F771 V772	F771-E775 WeakPolarHBondContact CA-O 3.46Å; V772-E775 PolarHBondContact N-O 3.14Å; V772-E775 PolarHBondContact O-N 3.48Å
776	Y	59.7	Low	58.4	Low	125 Å²	125	78.8 Å²	78.8	49%	0.49	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.7	168.3	-72.4	-78.1	0	0	0	110.3	L597 E770 F771	L597-Y776 HydrophobicContact CD1-CD1 3.59Å; L597-Y776 HydrophobicContact CD1-CE1 4.36Å; L597-Y776 HydrophobicContact CD1-CG 3.69Å; L597-Y776 HydrophobicContact CG-CD1 4.46Å; E770-Y776 CarbonylContact O-C 3.58Å; E770-Y776 WeakPolarHBondContact O-CA 3.41Å; F771-Y776 HydrophobicContact CB-CD1 4.08Å; F771-Y776 HydrophobicContact CB-CE1 4.05Å; F771-Y776 AromaticContact CD2-CD1 3.64Å; F771-Y776 HydrophobicContact CD2-CD1 3.64Å; F771-Y776 AromaticContact CD2-CD2 3.92Å; F771-Y776 HydrophobicContact CD2-CD2 3.92Å; F771-Y776 AromaticContact CD2-CE1 3.59Å; F771-Y776 HydrophobicContact CD2-CE1 3.59Å; F771-Y776 AromaticContact CD2-CE2 3.85Å; F771-Y776 HydrophobicContact CD2-CE2 3.85Å; F771-Y776 AromaticContact CD2-CG 3.82Å; F771-Y776 HydrophobicContact CD2-CG 3.82Å; F771-Y776 AromaticContact CD2-CZ 3.69Å; F771-Y776 HydrophobicContact CE2-CD2 4.11Å; F771-Y776 HydrophobicContact CE2-CE1 4.4Å; F771-Y776 AromaticContact CE2-CE2 3.89Å; F771-Y776 HydrophobicContact CE2-CE2 3.89Å; F771-Y776 HydrophobicContact CE2-CG 4.46Å; F771-Y776 HydrophobicContact CG-CD1 4.32Å; F771-Y776 HydrophobicContact CG-CE1 4.14Å
777	R	57	Low	56.5	Low	126 Å²	126	87.9 Å²	87.9	48%	0.475	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.4	172.6	-67.9	-173.4	173.2	-166	-1.6	110.4	F769 E770	F769-R777 WeakPolarHBondContact CA-O 3.47Å; E770-R777 PolarHBondContact N-O 2.99Å; E770-R777 PolarHBondContact O-N 2.95Å
778	V	61.1	Low	55.8	Low	55 Å²	55	91.4 Å²	91.4	33%	0.333	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	102.2	168.9	-170.4	0	0	0	0	106.6	F767 F769	F767-V778 HydrophobicContact CB-CG1 4.11Å; F767-V778 HydrophobicContact CD1-CG1 3.84Å; F767-V778 HydrophobicContact CG-CG1 4.39Å; F769-V778 HydrophobicContact CD1-CB 4.47Å; F769-V778 HydrophobicContact CD1-CG1 4.18Å; F769-V778 HydrophobicContact CD1-CG2 3.74Å; F769-V778 HydrophobicContact CE1-CG1 3.94Å; F769-V778 HydrophobicContact CE1-CG2 3.79Å; F769-V778 HydrophobicContact CZ-CG1 4.36Å
779	E	63.7	Low	55.1	Low	72 Å²	72	94.2 Å²	94.2	34%	0.336	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.6	174.9	-59.6	-159.6	152	0	0	110	K768	K768-E779 HydrophobicContact CB-CB 4.42Å; K768-E779 PolarHBondContact N-O 3.13Å; K768-E779 PolarHBondContact O-N 2.9Å
780	E	64.8	Low	54.5	Low	102 Å²	102	97.8 Å²	97.8	48%	0.477	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.9	-179.6	-156.3	-179.6	-108.5	0	0	109.4	R766 F767	R766-E780 HydrophobicContact CG-CG 3.7Å; R766-E780 IonicContact CZ-OE1 2.72Å; R766-E780 IonicContact CZ-OE2 3.18Å; R766-E780 IonicContact NE-OE1 2.85Å; R766-E780 PolarHBondContact NE-OE1 3.35Å; R766-E780 IonicContact NE-OE2 3.93Å; R766-E780 PolarHBondContact NE-OE2 2.8Å; R766-E780 IonicContact NH2-OE1 2.81Å; R766-E780 PolarHBondContact NH2-OE1 2.77Å; R766-E780 IonicContact NH2-OE2 3.48Å; R766-E780 PolarHBondContact NH2-OE2 2.76Å; R766-E780 WeakPolarHBondContact O-CA 3.38Å; F767-E780 HydrophobicContact CD1-CG 4.44Å; F767-E780 HydrophobicContact CE1-CG 4.1Å; F767-E780 WeakPolarHBondContact CE1-OE1 3.39Å
781	L	62.3	Low	54.2	Low	10 Å²	10	100 Å²	100	5%	0.052	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-69.6	138.1	-176.7	-57.5	-179	0	0	0	110.9	I65 L67 R765 R766 K768	I65-L781 CarbonylContact O-C 3.55Å; I65-L781 WeakPolarHBondContact O-CA 3.42Å; L67-L781 HydrophobicContact CD1-CB 3.98Å; L67-L781 HydrophobicContact CD1-CD1 3.96Å; L67-L781 HydrophobicContact CD2-CD1 4.48Å; L67-L781 HydrophobicContact CG-CB 4.24Å; L67-L781 HydrophobicContact CG-CD1 4.11Å; R765-L781 WeakPolarHBondContact O-CD1 3.43Å; R766-L781 PolarHBondContact O-N 3.35Å; K768-L781 HydrophobicContact CB-CD1 4.46Å; K768-L781 HydrophobicContact CB-CD2 4.05Å; K768-L781 HydrophobicContact CB-CG 4.27Å; K768-L781 HydrophobicContact CD-CD2 4.38Å
782	I	60.4	Low	54.5	Low	69 Å²	69	98.6 Å²	98.6	35%	0.354	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.8	-174.4	-60.6	176.6	0	0	0	109.3	F56 L61 I65 L66 L67	F56-I782 HydrophobicContact CE2-CD1 4.31Å; L61-I782 HydrophobicContact CD2-CD1 4.34Å; I65-I782 HydrophobicContact CG2-CG1 4.4Å; I65-I782 PolarHBondContact O-N 2.73Å; L66-I782 WeakPolarHBondContact CA-O 3.37Å; L67-I782 PolarHBondContact N-O 2.94Å; L67-I782 VanDerWaalsContact N-O 3.09Å
783	F	59.8	Low	54.5	Low	60 Å²	60	101.5 Å²	101.5	26%	0.263	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.3	175.9	-55.7	-69.6	0	0	0	110.7	L67 Q69 K762 R766	L67-F783 HydrophobicContact CB-CD1 3.78Å; L67-F783 HydrophobicContact CB-CE1 4.05Å; L67-F783 HydrophobicContact CD1-CD1 4.21Å; L67-F783 HydrophobicContact CD1-CE1 3.63Å; L67-F783 HydrophobicContact CD1-CZ 4.47Å; Q69-F783 HydrophobicContact CG-CB 3.96Å; Q69-F783 PolarHBondContact NE2-O 2.94Å; K762-F783 HydrophobicContact CB-CD1 4.47Å; K762-F783 HydrophobicContact CB-CE1 3.66Å; K762-F783 HydrophobicContact CB-CZ 4.08Å; K762-F783 HydrophobicContact CG-CE1 4.14Å; R766-F783 HydrophobicContact CB-CZ 4.08Å; R766-F783 HydrophobicContact CG-CE2 4.17Å; R766-F783 HydrophobicContact CG-CZ 4Å
784	S	49.5	Very low	54.7	Low	47 Å²	47	99.4 Å²	99.4	33%	0.329	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.7	165.8	111	0	0	0	0	111.2	L67 D68 Q69	L67-S784 PolarHBondContact O-N 2.95Å; D68-S784 WeakPolarHBondContact CA-O 3.46Å; Q69-S784 PolarHBondContact N-O 3.18Å
785	R	50.2	Low	55.2	Low	185 Å²	185	103 Å²	103	70%	0.698	47%	0.471	S	S	*	.			trans	-102.4	107.9	-177.2	-157.6	175.1	-161.2	171.1	7.1	107.6	Q69 M787	Q69-R785 HydrophobicContact CB-CB 4.01Å; Q69-R785 HydrophobicContact CB-CG 4.08Å; R785-M787 PolarHBondContact O-N 3.29Å
786	K	48.4	Very low	55.7	Low	94 Å²	94	100.6 Å²	100.6	41%	0.409	46%	0.459	S	S	.	.			trans	-66.5	127.7	173.1	-76.2	176.3	170.7	170.3	0	108.2	D68 S586	D68-K786 PolarHBondContact OD1-N 2.73Å; S586-K786 PolarHBondContact OG-NZ 3.35Å
787	M	31.5	Very low	55.3	Low	262 Å²	262	98.4 Å²	98.4	100%	1.291	46%	0.456	S	S	*	.			trans	-80.4	0	177.7	-67.2	-171.1	-179.5	0	0	111.7	R785	R785-M787 PolarHBondContact O-N 3.29Å

Retrieved 787 of 787 residues in 158.3 ms (Link to these results)

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