A0AA82N861_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB (A0A5K4FBL3), UniProt , Accession A0AA82N861, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 601 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	30.9	Very low	26.4	Very low	248 Å²	248	173.7 Å²	173.7	100%	1.222	88%	0.875	S	S	*	*				0	60.3	0	-158.1	-167.4	-73.3	0	0	107.2
2	E	27.3	Very low	26.3	Very low	191 Å²	191	172.8 Å²	172.8	89%	0.893	87%	0.874	S	S	*	*			trans	-163.2	115.8	172.5	-104.4	169.6	-177.7	0	0	102
3	R	25.3	Very low	26.1	Very low	247 Å²	247	169.8 Å²	169.8	93%	0.932	88%	0.877	S	S	*	*			trans	-95.7	115.8	179.8	-91.4	-176.5	175	173.9	-1.9	107.2
4	E	24.3	Very low	25.9	Very low	195 Å²	195	169.9 Å²	169.9	91%	0.911	88%	0.878	S	S	*	*			trans	-60.9	135	160.8	-64.9	-177.3	152.6	0	0	109.9
5	L	26.6	Very low	25.9	Very low	163 Å²	163	174.5 Å²	174.5	85%	0.853	88%	0.88	S	S	*	*			trans	-124.6	134.4	163.7	-103.8	141	0	0	0	106.9
6	P	28	Very low	25.9	Very low	110 Å²	110	171 Å²	171	71%	0.714	87%	0.87	S	S	*	*			trans	-88.4	129.2	-166.3	32.9	-31	0	0	0	112.4	V8	P6-V8 PolarHBondContact O-N 2.98Å
7	N	25.4	Very low	25.9	Very low	170 Å²	170	167.2 Å²	167.2	91%	0.909	86%	0.863	S	S	*	*			trans	-69.8	116.4	163	-85	-30	0	0	0	109.5
8	V	28.4	Very low	26	Very low	123 Å²	123	166.5 Å²	166.5	75%	0.745	86%	0.861	S	S	*	*			trans	-93.2	106.1	171.7	175.7	0	0	0	0	108.7	P6	P6-V8 PolarHBondContact O-N 2.98Å
9	L	25.4	Very low	25.8	Very low	150 Å²	150	164.9 Å²	164.9	79%	0.785	86%	0.859	S	S	*	*			trans	52.4	83.8	145.9	-66.4	164.2	0	0	0	118.6
10	L	24.9	Very low	25.9	Very low	174 Å²	174	165 Å²	165	91%	0.911	86%	0.858	S	S	*	*			trans	-117.7	88.4	145.4	-139.3	129.5	0	0	0	106.8
11	N	24.3	Very low	25.8	Very low	140 Å²	140	159.6 Å²	159.6	75%	0.749	84%	0.844	S	S	*	*			trans	-154	96.6	173.2	-98.1	-23.2	0	0	0	108.3
12	N	24.5	Very low	25.7	Very low	162 Å²	162	156 Å²	156	87%	0.866	83%	0.826	S	S	*	*	S	Bend	trans	173.9	87.7	135.6	-86.1	-18	0	0	0	109.4
13	C	23.4	Very low	25.7	Very low	135 Å²	135	155.2 Å²	155.2	91%	0.912	82%	0.822	S	S	*	*			trans	-179.3	73.4	141.3	-93.3	0	0	0	0	109.2
14	L	23.7	Very low	25.5	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	82%	0.817	S	S	*	*			trans	-132.5	109.1	161.1	-83	170.4	0	0	0	108.6
15	R	26.5	Very low	25.6	Very low	239 Å²	239	150.1 Å²	150.1	90%	0.902	81%	0.814	S	S	*	*			trans	-131.9	94.4	150.1	-84.7	-171.9	175.6	-177.4	-0	106.2
16	T	25	Very low	25.5	Very low	118 Å²	118	148.9 Å²	148.9	72%	0.724	81%	0.808	S	S	*	*				57.8	108.7	104.3	59.9	0	0	0	0	112.5
17	S	26.8	Very low	25.3	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	81%	0.81	S	S	*	*				174.2	150.5	81.8	34.2	0	0	0	0	107.3
18	N	27	Very low	25.4	Very low	155 Å²	155	151.1 Å²	151.1	83%	0.829	81%	0.808	S	S	*	*			cis	-152.9	149.3	23.1	-98	-32.4	0	0	0	110.7
19	V	23.3	Very low	25.2	Very low	136 Å²	136	152.7 Å²	152.7	82%	0.824	81%	0.812	S	S	*	*			trans	-80.6	127	168	170.3	0	0	0	0	109.5
20	I	27.8	Very low	25.7	Very low	166 Å²	166	150.2 Å²	150.2	85%	0.851	81%	0.805	S	S	*	*			trans	-133.3	108.8	144.6	-60.9	-179.7	0	0	0	106.2
21	G	24.1	Very low	25.6	Very low	53 Å²	53	149 Å²	149	55%	0.546	80%	0.799	S	S	.	*			trans	-84.1	150.7	169.3	0	0	0	0	0	111.1
22	M	27.1	Very low	25.5	Very low	171 Å²	171	148.9 Å²	148.9	84%	0.842	80%	0.798	S	S	*	*			trans	-163.5	117.8	136	-84.8	-129.5	175.8	0	0	110.6
23	Q	27	Very low	25.7	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	79%	0.789	S	S	*	*			trans	55.3	128.1	136.6	-77.2	168.3	-33.1	0	0	122.7
24	Q	22.4	Very low	25.9	Very low	176 Å²	176	148.6 Å²	148.6	82%	0.822	78%	0.78	S	S	*	*			trans	-49.1	144	161	-64.5	165.6	-27	0	0	113.2
25	N	27	Very low	25.9	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	78%	0.776	S	S	*	*				-168.4	151.5	123.6	-95.1	-24.3	0	0	0	112.3
26	N	23.7	Very low	25.8	Very low	136 Å²	136	144.4 Å²	144.4	73%	0.727	77%	0.771	S	S	*	*			trans	-73.7	168.5	-170.4	-61	-34.9	0	0	0	115
27	D	24.2	Very low	25.9	Very low	140 Å²	140	146 Å²	146	75%	0.749	77%	0.773	S	S	*	*			trans	95.7	126.8	138.6	-67.8	-30.5	0	0	0	121.1
28	E	27.3	Very low	25.8	Very low	188 Å²	188	152.2 Å²	152.2	88%	0.879	78%	0.782	S	S	*	*			trans	87.5	109.9	145.8	-70.6	-178.8	-175.8	0	0	122.1
29	N	24.4	Very low	25.6	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	78%	0.782	S	S	*	*			trans	-74.3	173.7	147.6	-105.4	-21	0	0	0	109.8
30	P	35.2	Very low	25.8	Very low	99 Å²	99	151 Å²	151	64%	0.643	78%	0.78	S	S	*	*			cis	-145.7	177.5	-3.2	33.5	-9.7	0	0	0	117.5
31	L	23	Very low	25.7	Very low	149 Å²	149	146.4 Å²	146.4	78%	0.78	77%	0.773	S	S	*	*			trans	75.8	130.6	142.2	-81.5	152.5	0	0	0	124
32	N	22.8	Very low	25.7	Very low	137 Å²	137	152 Å²	152	73%	0.733	79%	0.789	S	S	*	*			trans	82.9	109.2	153.7	-74.4	-5.9	0	0	0	120.7
33	D	27	Very low	25.5	Very low	126 Å²	126	152.6 Å²	152.6	67%	0.674	79%	0.789	S	S	*	*				-174.6	135.1	106.6	-106.7	-3.5	0	0	0	114.5
34	K	28.9	Very low	25.4	Very low	165 Å²	165	150.2 Å²	150.2	72%	0.717	79%	0.791	S	S	*	*			trans	81.6	105.3	143.1	-68	169.7	-180	126.6	0	122.1
35	E	22.7	Very low	25.5	Very low	173 Å²	173	145.3 Å²	145.3	81%	0.808	79%	0.787	S	S	*	*				28	138.9	119.8	-70.6	-177	154.1	0	0	121.1
36	N	25.2	Very low	25.5	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	79%	0.785	S	S	*	*			trans	86.9	99.5	166.4	-60.2	-36.3	0	0	0	116.7
37	I	27.2	Very low	25.4	Very low	152 Å²	152	146.7 Å²	146.7	78%	0.779	79%	0.794	S	S	*	*				-176.9	97.3	111.7	-79.8	146.1	0	0	0	106.6
38	Y	23.6	Very low	25.5	Very low	237 Å²	237	147.6 Å²	147.6	93%	0.929	80%	0.798	S	S	*	*			trans	-88.3	92.7	157.9	-99.5	-88.9	0	0	0	106.4
39	N	24.1	Very low	25.3	Very low	155 Å²	155	144 Å²	144	83%	0.829	79%	0.793	S	S	*	*			trans	-177	87.5	160.1	-96.2	-17.2	0	0	0	109.1
40	S	26.7	Very low	25.1	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	79%	0.79	S	S	*	*			trans	-149.4	115.8	159.3	53.4	0	0	0	0	105.9
41	G	25.3	Very low	24.6	Very low	68 Å²	68	142.3 Å²	142.3	70%	0.701	80%	0.796	S	S	*	*			cis	69.7	72	39.4	0	0	0	0	0	107.5	Q43	G41-Q43 VanDerWaalsContact C-N 3.31Å; G41-Q43 PolarHBondContact O-N 2.89Å
42	I	24.8	Very low	24.6	Very low	171 Å²	171	140.5 Å²	140.5	88%	0.877	80%	0.796	S	S	*	*			trans	-64.4	95.9	176.2	-62.5	174.5	0	0	0	107.1
43	Q	23.2	Very low	24.6	Very low	183 Å²	183	142.8 Å²	142.8	86%	0.855	80%	0.804	S	S	*	*			trans	-130.7	97.1	167.9	-144.3	174.2	4.3	0	0	105.6	G41 G45	G41-Q43 VanDerWaalsContact C-N 3.31Å; G41-Q43 PolarHBondContact O-N 2.89Å; Q43-G45 PolarHBondContact O-N 3.48Å
44	C	25.5	Very low	24.5	Very low	127 Å²	127	141.9 Å²	141.9	86%	0.858	81%	0.807	S	S	*	*			trans	-66.2	97	171.2	-73.2	0	0	0	0	108.4	L46	C44-L46 PolarHBondContact O-N 3.3Å
45	G	23.6	Very low	24.1	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	82%	0.818	S	S	*	*			trans	-80.3	105.1	167.6	0	0	0	0	0	110.2	Q43 N47	Q43-G45 PolarHBondContact O-N 3.48Å; G45-N47 PolarHBondContact O-N 3.48Å
46	L	27.9	Very low	24.5	Very low	156 Å²	156	142.7 Å²	142.7	82%	0.817	81%	0.813	S	S	*	*			trans	-76.5	110.4	155.6	-77.7	166.6	0	0	0	107.6	C44 L48	C44-L46 PolarHBondContact O-N 3.3Å; L46-L48 PolarHBondContact O-N 3.19Å
47	N	20.8	Very low	24.8	Very low	168 Å²	168	143.4 Å²	143.4	90%	0.898	81%	0.811	S	S	*	*			trans	-72.8	106.2	164.4	-88.7	-24	0	0	0	108.6	G45	G45-N47 PolarHBondContact O-N 3.48Å
48	L	26.3	Very low	25	Very low	160 Å²	160	144 Å²	144	84%	0.838	82%	0.816	S	S	*	*			trans	-121.2	100.4	162.7	-89.2	152.5	0	0	0	108	L46 S50	L46-L48 PolarHBondContact O-N 3.19Å; L48-S50 PolarHBondContact O-N 3.45Å
49	S	22.6	Very low	25.9	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	79%	0.793	S	S	*	*			trans	-80	111.4	168	52.6	0	0	0	0	109.9
50	S	21.7	Very low	26.9	Very low	109 Å²	109	136 Å²	136	76%	0.762	79%	0.794	S	S	*	*			trans	50.4	93.9	144	61.2	0	0	0	0	119.3	L48	L48-S50 PolarHBondContact O-N 3.45Å
51	S	23.9	Very low	28.1	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	78%	0.775	S	S	*	*			trans	-167.4	112.7	132.5	50.3	0	0	0	0	112.2
52	S	22.9	Very low	29.4	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	76%	0.764	S	S	*	*			trans	55.6	111.4	152.5	59.3	0	0	0	0	121.8
53	M	22.7	Very low	30.9	Very low	184 Å²	184	133.8 Å²	133.8	91%	0.906	76%	0.763	S	S	*	*			trans	61.2	89.6	147.2	-60.5	-165.4	85.5	0	0	118.6
54	C	24.3	Very low	32.9	Very low	108 Å²	108	129.2 Å²	129.2	73%	0.73	75%	0.751	S	S	*	*			trans	-155.3	105.1	136	-94.4	0	0	0	0	107.8	H56	C54-H56 PolarHBondContact O-N 2.76Å
55	E	22.5	Very low	34.9	Very low	203 Å²	203	126.1 Å²	126.1	95%	0.949	73%	0.726	S	S	*	*			trans	-69.7	78.7	163.6	-78.9	-178.3	154.4	0	0	108.3	Q57	E55-Q57 PolarHBondContact O-N 3.14Å
56	H	30.1	Very low	37.5	Very low	152 Å²	152	129.5 Å²	129.5	70%	0.704	72%	0.716	S	S	*	*			trans	-73.4	109.1	163.7	-84.4	-45	0	0	0	108.2	C54 N58	C54-H56 PolarHBondContact O-N 2.76Å; H56-N58 PolarHBondContact O-N 3.2Å; H56-N58 VanDerWaalsContact O-N 3.14Å
57	Q	31.6	Very low	40.4	Very low	162 Å²	162	124.3 Å²	124.3	76%	0.757	69%	0.692	S	S	*	*			trans	-45.7	119.5	167.6	-68.9	175.6	-9.2	0	0	109.1	E55 L59	E55-Q57 PolarHBondContact O-N 3.14Å; Q57-L59 PolarHBondContact O-N 2.91Å
58	N	30.9	Very low	43.8	Very low	165 Å²	165	116.3 Å²	116.3	88%	0.882	65%	0.649	S	S	*	*			trans	-64.2	78.8	168.1	-84.2	-33.2	0	0	0	109.1	H56 T60	H56-N58 PolarHBondContact O-N 3.2Å; H56-N58 VanDerWaalsContact O-N 3.14Å; N58-T60 PolarHBondContact O-N 3.45Å
59	L	43.1	Very low	47	Very low	85 Å²	85	109 Å²	109	45%	0.445	61%	0.611	S	S	.	*			trans	-73.5	101	168.4	-81	150.9	0	0	0	107.4	Q57 F61	Q57-L59 PolarHBondContact O-N 2.91Å; L59-F61 HydrophobicContact CB-CE1 4.08Å; L59-F61 HydrophobicContact CB-CE2 4.03Å; L59-F61 HydrophobicContact CB-CZ 3.73Å; L59-F61 HydrophobicContact CD1-CZ 4.4Å; L59-F61 VanDerWaalsContact O-CD2 3.28Å; L59-F61 WeakPolarHBondContact O-CD2 3.26Å; L59-F61 WeakPolarHBondContact O-CE2 3.36Å; L59-F61 PolarHBondContact O-N 3.42Å; L59-F61 VanDerWaalsContact O-N 3.08Å
60	T	44.5	Very low	50.4	Low	139 Å²	139	103.7 Å²	103.7	85%	0.853	57%	0.573	S	S	*	*			trans	-69	99.5	166.4	51	0	0	0	0	108.1	N58	N58-T60 PolarHBondContact O-N 3.45Å
61	F	51.9	Low	53.9	Low	84 Å²	84	98.6 Å²	98.6	37%	0.368	54%	0.538	S	S	.	.			trans	-72.1	140.6	177.7	-64.2	-72.3	0	0	0	110.9	L59 P63 I158 P160	L59-F61 HydrophobicContact CB-CE1 4.08Å; L59-F61 HydrophobicContact CB-CE2 4.03Å; L59-F61 HydrophobicContact CB-CZ 3.73Å; L59-F61 HydrophobicContact CD1-CZ 4.4Å; L59-F61 VanDerWaalsContact O-CD2 3.28Å; L59-F61 WeakPolarHBondContact O-CD2 3.26Å; L59-F61 WeakPolarHBondContact O-CE2 3.36Å; L59-F61 PolarHBondContact O-N 3.42Å; L59-F61 VanDerWaalsContact O-N 3.08Å; F61-P63 WeakPolarHBondContact O-CD 3.4Å; F61-I158 WeakPolarHBondContact CD1-O 3.41Å; F61-I158 WeakPolarHBondContact CE1-O 3.47Å; F61-P160 HydrophobicContact CB-CG 4.07Å; F61-P160 HydrophobicContact CD1-CG 4.1Å; F61-P160 HydrophobicContact CG-CG 4.01Å
62	D	53.2	Low	57.3	Low	87 Å²	87	93.4 Å²	93.4	47%	0.465	50%	0.501	S	S	.	.			trans	-64.2	118.5	171	-176.2	-19.2	0	0	0	108.5	S64 L65	D62-S64 PolarHBondContact O-N 3.08Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.28Å; D62-S64 PolarHBondContact OD1-N 2.93Å; D62-S64 PolarHBondContact OD1-OG 3.07Å; D62-S64 PolarHBondContact OD2-OG 3.16Å; D62-S64 VanDerWaalsContact OD2-OG 3.05Å; D62-L65 HydrophobicContact CB-CD1 3.95Å; D62-L65 HydrophobicContact CB-CG 4.1Å; D62-L65 WeakPolarHBondContact O-CB 3.47Å; D62-L65 PolarHBondContact O-N 3.4Å
63	P	56.7	Low	60.8	Low	133 Å²	133	88.7 Å²	88.7	86%	0.864	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.2	-178	25.2	-33.1	0	0	0	113.4	F61 L65	F61-P63 WeakPolarHBondContact O-CD 3.4Å; P63-L65 VanDerWaalsContact C-N 3.34Å
64	S	64.1	Low	64.1	Low	87 Å²	87	80.1 Å²	80.1	61%	0.608	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.6	171.6	70.9	0	0	0	0	113.6	D62 R66	D62-S64 PolarHBondContact O-N 3.08Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.28Å; D62-S64 PolarHBondContact OD1-N 2.93Å; D62-S64 PolarHBondContact OD1-OG 3.07Å; D62-S64 PolarHBondContact OD2-OG 3.16Å; D62-S64 VanDerWaalsContact OD2-OG 3.05Å; S64-R66 PolarHBondContact O-N 3.19Å
65	L	68.8	Low	67.2	Low	62 Å²	62	76 Å²	76	33%	0.325	40%	0.398	S	S	.	.	S	Bend	trans	-80.1	114.2	-179.9	-68.7	170.7	0	0	0	110.3	D62 P63	D62-L65 HydrophobicContact CB-CD1 3.95Å; D62-L65 HydrophobicContact CB-CG 4.1Å; D62-L65 WeakPolarHBondContact O-CB 3.47Å; D62-L65 PolarHBondContact O-N 3.4Å; P63-L65 VanDerWaalsContact C-N 3.34Å
66	R	77.4	Confident	70	Confident	143 Å²	143	69.7 Å²	69.7	54%	0.54	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.2	173.1	-62.2	-156.3	-171.8	158.7	-8.8	110.5	S64 E141 T159	S64-R66 PolarHBondContact O-N 3.19Å; R66-E141 WeakPolarHBondContact CD-OE1 2.84Å; R66-E141 IonicContact CZ-OE1 3.66Å; R66-E141 IonicContact NE-OE1 2.76Å; R66-E141 PolarHBondContact NE-OE1 3.05Å; R66-E141 VanDerWaalsContact NE-OE1 3.11Å; R66-E141 VanDerWaalsContact NH1-CD 3.26Å; R66-E141 IonicContact NH1-OE1 3.47Å; R66-E141 PolarHBondContact NH1-OE1 2.83Å; R66-T159 WeakPolarHBondContact O-CG2 3.42Å
67	P	88.4	Confident	72.3	Confident	47 Å²	47	71.9 Å²	71.9	31%	0.305	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.8	145.8	179.5	27.1	-33.5	0	0	0	111.7	P160 L162	P67-P160 CarbonylContact C-O 3.58Å; P67-P160 WeakPolarHBondContact CA-O 3.49Å; P67-P160 HydrophobicContact CB-CB 4.18Å; P67-L162 HydrophobicContact CB-CD1 3.69Å; P67-L162 HydrophobicContact CB-CG 3.87Å; P67-L162 HydrophobicContact CG-CD1 3.84Å
68	V	91.7	Very high	74.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.8	166.9	173.2	0	0	0	0	108.3	I101 L137 L139 V154 L156 T159 P160 I161 L162	V68-I101 HydrophobicContact CB-CD1 4.4Å; V68-I101 HydrophobicContact CG1-CD1 3.75Å; V68-I101 HydrophobicContact CG2-CD1 3.66Å; V68-L137 HydrophobicContact CG1-CB 4.45Å; V68-L137 HydrophobicContact CG1-CD2 4.26Å; V68-L139 HydrophobicContact CG2-CD2 3.81Å; V68-V154 HydrophobicContact CG2-CG1 3.87Å; V68-L156 HydrophobicContact CG1-CD2 4.29Å; V68-L156 HydrophobicContact CG2-CD2 4.29Å; V68-T159 HydrophobicContact CG2-CG2 3.81Å; V68-P160 PolarHBondContact N-O 2.68Å; V68-I161 CarbonylContact O-C 3.52Å; V68-I161 WeakPolarHBondContact O-CA 3.38Å; V68-L162 PolarHBondContact O-N 2.91Å
69	H	93.5	Very high	76.5	Confident	7 Å²	7	63.8 Å²	63.8	3%	0.032	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.8	172.3	-69	-105.8	0	0	0	108.9	L137 M138 D140 L162 H164	H69-L137 WeakPolarHBondContact O-CA 3.16Å; H69-M138 PolarHBondContact N-O 2.86Å; H69-M138 PolarHBondContact O-N 2.7Å; H69-D140 IonicContact CD2-OD1 3.12Å; H69-D140 IonicContact CD2-OD2 3.8Å; H69-D140 IonicContact CE1-OD1 2.75Å; H69-D140 IonicContact CE1-OD2 2.92Å; H69-D140 PolarHBondContact CE1-OD2 3.49Å; H69-D140 IonicContact NE2-OD1 2.62Å; H69-D140 IonicContact NE2-OD2 3.77Å; H69-D140 PolarHBondContact NE2-OD2 3.2Å; H69-L162 WeakPolarHBondContact CA-O 3.44Å; H69-H164 AromaticContact CE1-NE2 3.89Å; H69-H164 AromaticContact CG-NE2 3.84Å; H69-H164 AromaticContact ND1-CD2 3.88Å; H69-H164 AromaticContact ND1-CE1 3.75Å; H69-H164 AromaticContact ND1-NE2 3.01Å; H69-H164 PolarHBondContact ND1-NE2 3.11Å
70	A	95.2	Very high	78.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	100	173.4	0	0	0	0	0	109.1	V72 L93 I135 L137 I161 L162 V163 H164	A70-V72 PolarHBondContact O-N 3.17Å; A70-L93 HydrophobicContact CB-CD1 3.87Å; A70-I135 HydrophobicContact CB-CG2 4.48Å; A70-L137 HydrophobicContact CB-CD2 3.71Å; A70-I161 HydrophobicContact CB-CG2 3.88Å; A70-L162 PolarHBondContact N-O 3.21Å; A70-V163 HydrophobicContact CB-CG2 4.47Å; A70-V163 CarbonylContact O-C 3.49Å; A70-V163 WeakPolarHBondContact O-CA 3.39Å; A70-H164 PolarHBondContact O-N 3.47Å
71	E	95.6	Very high	80.5	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.3	175.2	-63	175	-173.2	0	0	108.8	I135 N136 M138 H164 Y166 K264 I267 R268	E71-I135 WeakPolarHBondContact O-CA 3.31Å; E71-N136 HydrophobicContact CB-CB 4.25Å; E71-N136 PolarHBondContact N-O 2.97Å; E71-N136 PolarHBondContact O-N 2.88Å; E71-M138 HydrophobicContact CG-CE 4.28Å; E71-M138 WeakPolarHBondContact OE1-CE 3.43Å; E71-M138 WeakPolarHBondContact OE2-CE 3.42Å; E71-H164 HydrophobicContact CG-CB 4.42Å; E71-Y166 HydrophobicContact CB-CE1 4.07Å; E71-K264 VanDerWaalsContact CD-NZ 3.33Å; E71-K264 WeakPolarHBondContact OE1-CE 3.47Å; E71-K264 IonicContact OE1-NZ 3.79Å; E71-K264 PolarHBondContact OE1-NZ 2.94Å; E71-K264 VanDerWaalsContact OE1-NZ 3.1Å; E71-K264 IonicContact OE2-NZ 2.68Å; E71-K264 PolarHBondContact OE2-NZ 2.86Å; E71-I267 HydrophobicContact CB-CG2 3.99Å; E71-I267 HydrophobicContact CG-CG2 3.71Å; E71-R268 IonicContact OE1-CZ 3.11Å; E71-R268 IonicContact OE1-NE 2.79Å; E71-R268 PolarHBondContact OE1-NE 2.86Å; E71-R268 IonicContact OE1-NH2 3.05Å; E71-R268 PolarHBondContact OE1-NH2 2.83Å
72	V	95.3	Very high	82.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.6	-173.4	-172.9	0	0	0	0	109	A70 I85 V89 V132 I135 V163 H164 I165 Y166	A70-V72 PolarHBondContact O-N 3.17Å; V72-I85 HydrophobicContact CG1-CG2 4.48Å; V72-V89 HydrophobicContact CG1-CG2 4.13Å; V72-V89 HydrophobicContact CG2-CG1 3.87Å; V72-V89 HydrophobicContact CG2-CG2 4.41Å; V72-V132 HydrophobicContact CG1-CG1 3.72Å; V72-V132 HydrophobicContact CG1-CG2 4.15Å; V72-I135 HydrophobicContact CG1-CG1 4.19Å; V72-I135 HydrophobicContact CG2-CG1 4.21Å; V72-V163 HydrophobicContact CG2-CG1 3.55Å; V72-H164 PolarHBondContact N-O 2.92Å; V72-I165 HydrophobicContact CB-CG1 4.24Å; V72-Y166 WeakPolarHBondContact O-CD1 3.3Å; V72-Y166 PolarHBondContact O-N 3.42Å
73	C	94.4	Very high	84.1	Confident	13 Å²	13	62.1 Å²	62.1	9%	0.088	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.6	173	-170.7	0	0	0	0	109.2	A133 S134 Y166	C73-A133 HydrophobicContact CB-CB 4.41Å; C73-A133 WeakPolarHBondContact O-CB 3.35Å; C73-A133 PolarHBondContact O-N 3.11Å; C73-S134 WeakPolarHBondContact CB-OG 3.32Å; C73-S134 PolarHBondContact N-O 3.36Å; C73-S134 PolarHBondContact O-N 3.36Å; C73-Y166 WeakPolarHBondContact CA-O 3.38Å; C73-Y166 HydrophobicContact CB-CE1 4.13Å; C73-Y166 HydrophobicContact CB-CE2 4.03Å
74	V	93.6	Very high	85.7	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	151.5	173.9	-62.9	0	0	0	0	112.1	F82 I85 C131 I165 Y166 Q167	V74-F82 HydrophobicContact CG2-CE1 4.13Å; V74-F82 HydrophobicContact CG2-CZ 4.31Å; V74-I85 HydrophobicContact CG1-CD1 3.95Å; V74-I85 HydrophobicContact CG1-CG2 4.46Å; V74-C131 CarbonylContact C-O 3.5Å; V74-C131 VanDerWaalsContact CA-O 3.22Å; V74-C131 WeakPolarHBondContact CA-O 3.25Å; V74-C131 WeakPolarHBondContact CB-O 3.35Å; V74-I165 HydrophobicContact CG1-CG2 3.59Å; V74-Y166 WeakPolarHBondContact CG2-O 3.11Å; V74-Y166 PolarHBondContact N-O 3.39Å; V74-Q167 HydrophobicContact CG2-CB 3.75Å; V74-Q167 HydrophobicContact CG2-CG 4.21Å
75	S	88.5	Confident	87	Confident	22 Å²	22	53.5 Å²	53.5	15%	0.154	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.2	143.7	171.2	171.6	0	0	0	0	110.7	Y77 N78 S130 C131	S75-Y77 PolarHBondContact O-N 3.41Å; S75-Y77 VanDerWaalsContact O-N 3.15Å; S75-Y77 PolarHBondContact OG-N 3.04Å; S75-N78 VanDerWaalsContact O-CB 3.28Å; S75-N78 WeakPolarHBondContact O-CB 3.45Å; S75-N78 PolarHBondContact O-N 2.93Å; S75-N78 VanDerWaalsContact O-N 3.1Å; S75-S130 WeakPolarHBondContact CB-O 3.16Å; S75-C131 PolarHBondContact N-O 3.13Å
76	P	81.4	Confident	88.2	Confident	70 Å²	70	54.6 Å²	54.6	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.2	177.7	26.3	-34.1	0	0	0	114.1
77	Y	78.1	Confident	88.8	Confident	198 Å²	198	50.8 Å²	50.8	78%	0.776	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	19.7	177.1	-51.2	-70	0	0	0	112.7	S75 C79	S75-Y77 PolarHBondContact O-N 3.41Å; S75-Y77 VanDerWaalsContact O-N 3.15Å; S75-Y77 PolarHBondContact OG-N 3.04Å; Y77-C79 PolarHBondContact O-N 3.44Å
78	N	77.2	Confident	88.9	Confident	36 Å²	36	50 Å²	50	19%	0.193	26%	0.262	C	S	.	.			trans	-60.5	130.3	178.3	174.9	41.1	0	0	0	111.1	S75 E80 I85 C131	S75-N78 VanDerWaalsContact O-CB 3.28Å; S75-N78 WeakPolarHBondContact O-CB 3.45Å; S75-N78 PolarHBondContact O-N 2.93Å; S75-N78 VanDerWaalsContact O-N 3.1Å; N78-E80 PolarHBondContact ND2-O 3.21Å; N78-E80 PolarHBondContact OD1-N 3.34Å; N78-I85 WeakPolarHBondContact ND2-CD1 3.27Å; N78-C131 HydrophobicContact CB-CB 4.46Å; N78-C131 WeakPolarHBondContact OD1-CB 3.46Å; N78-C131 PolarHBondContact OD1-SG 3.46Å
79	C	74	Confident	88.9	Confident	121 Å²	121	50 Å²	50	82%	0.818	26%	0.262	S	S	*	.			trans	-108	-5.9	177.1	-63.3	0	0	0	0	113.1	Y77	Y77-C79 PolarHBondContact O-N 3.44Å
80	E	85	Confident	88.9	Confident	67 Å²	67	51.5 Å²	51.5	31%	0.313	27%	0.271	S	S	.	.	S	Bend	trans	-99.2	151.1	-173.9	-64.4	-67.1	164.4	0	0	111.7	N78 I85 V127	N78-E80 PolarHBondContact ND2-O 3.21Å; N78-E80 PolarHBondContact OD1-N 3.34Å; E80-I85 HydrophobicContact CB-CD1 4.33Å; E80-I85 HydrophobicContact CB-CG1 4.17Å; E80-V127 HydrophobicContact CG-CG1 4.15Å; E80-V127 HydrophobicContact CG-CG2 4.08Å
81	E	87	Confident	88.6	Confident	130 Å²	130	55.5 Å²	55.5	61%	0.607	29%	0.29	S	S	*	.			trans	-68.7	143.2	175.8	-162.8	-175.3	144.8	0	0	111	T83 V84 I85	E81-T83 WeakPolarHBondContact CG-OG1 3.33Å; E81-T83 PolarHBondContact O-N 3.01Å; E81-T83 PolarHBondContact OE1-OG1 3.33Å; E81-V84 HydrophobicContact CB-CG2 4.29Å; E81-V84 WeakPolarHBondContact O-CB 3.17Å; E81-V84 PolarHBondContact O-N 3.45Å; E81-I85 PolarHBondContact O-N 3.19Å
82	F	89.8	Confident	88.4	Confident	92 Å²	92	55.4 Å²	55.4	40%	0.404	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-32.3	-178.6	-73.4	1.5	0	0	0	112.8	V74 V84 I85 E86 I165	V74-F82 HydrophobicContact CG2-CE1 4.13Å; V74-F82 HydrophobicContact CG2-CZ 4.31Å; F82-V84 VanDerWaalsContact C-N 3.33Å; F82-V84 PolarHBondContact O-N 2.85Å; F82-I85 HydrophobicContact CD1-CD1 4.36Å; F82-I85 PolarHBondContact O-N 3.48Å; F82-E86 WeakPolarHBondContact O-CB 3.34Å; F82-E86 PolarHBondContact O-N 2.76Å; F82-I165 HydrophobicContact CB-CD1 4.2Å; F82-I165 HydrophobicContact CB-CG2 4.38Å; F82-I165 HydrophobicContact CD1-CG2 3.94Å; F82-I165 HydrophobicContact CD2-CB 4.33Å; F82-I165 HydrophobicContact CD2-CG2 3.96Å; F82-I165 HydrophobicContact CE1-CG2 4.15Å; F82-I165 HydrophobicContact CE2-CG2 4.17Å; F82-I165 HydrophobicContact CG-CB 4.45Å; F82-I165 HydrophobicContact CG-CG2 3.84Å; F82-I165 HydrophobicContact CZ-CG2 4.26Å; F82-I165 WeakPolarHBondContact O-CD1 3.43Å
83	T	90.2	Very high	88.2	Confident	71 Å²	71	55.4 Å²	55.4	44%	0.436	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-36.8	176.1	52.5	0	0	0	0	112.9	E81 S87	E81-T83 WeakPolarHBondContact CG-OG1 3.33Å; E81-T83 PolarHBondContact O-N 3.01Å; E81-T83 PolarHBondContact OE1-OG1 3.33Å; T83-S87 PolarHBondContact O-N 3.21Å; T83-S87 VanDerWaalsContact O-N 3.15Å; T83-S87 PolarHBondContact O-OG 2.99Å
84	V	90.7	Very high	88.1	Confident	40 Å²	40	57.1 Å²	57.1	24%	0.242	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-45.3	176.3	179.1	0	0	0	0	110.1	E81 F82 E86 S87 Y88	E81-V84 HydrophobicContact CB-CG2 4.29Å; E81-V84 WeakPolarHBondContact O-CB 3.17Å; E81-V84 PolarHBondContact O-N 3.45Å; F82-V84 VanDerWaalsContact C-N 3.33Å; F82-V84 PolarHBondContact O-N 2.85Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.18Å; V84-S87 PolarHBondContact O-N 3.02Å; V84-Y88 HydrophobicContact CG1-CD2 4.15Å; V84-Y88 HydrophobicContact CG1-CE2 3.79Å; V84-Y88 PolarHBondContact O-N 3.18Å; V84-Y88 VanDerWaalsContact O-N 3.09Å
85	I	91.1	Very high	87.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-45.4	177.1	-62.3	173.4	0	0	0	110.1	V72 V74 N78 E80 E81 F82 S87 Y88 V89 V127 C131 V132 I165	V72-I85 HydrophobicContact CG1-CG2 4.48Å; V74-I85 HydrophobicContact CG1-CD1 3.95Å; V74-I85 HydrophobicContact CG1-CG2 4.46Å; N78-I85 WeakPolarHBondContact ND2-CD1 3.27Å; E80-I85 HydrophobicContact CB-CD1 4.33Å; E80-I85 HydrophobicContact CB-CG1 4.17Å; E81-I85 PolarHBondContact O-N 3.19Å; F82-I85 HydrophobicContact CD1-CD1 4.36Å; F82-I85 PolarHBondContact O-N 3.48Å; I85-S87 VanDerWaalsContact C-N 3.35Å; I85-S87 PolarHBondContact O-N 3.24Å; I85-Y88 PolarHBondContact O-N 2.74Å; I85-V89 HydrophobicContact CG2-CG2 4.06Å; I85-V89 WeakPolarHBondContact O-CB 3.42Å; I85-V89 VanDerWaalsContact O-CG2 3.24Å; I85-V89 WeakPolarHBondContact O-CG2 3.34Å; I85-V89 PolarHBondContact O-N 3.06Å; I85-V127 HydrophobicContact CG1-CG1 4.44Å; I85-C131 HydrophobicContact CD1-CB 4.11Å; I85-V132 HydrophobicContact CG2-CG2 3.94Å; I85-I165 HydrophobicContact CB-CD1 4.12Å; I85-I165 HydrophobicContact CG2-CD1 4.06Å
86	E	93.2	Very high	87.7	Confident	85 Å²	85	60.4 Å²	60.4	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-55.6	-50.7	177.3	-174.1	176.1	-179.4	0	0	111.2	F82 V84 Y88 V89 V90 V163 I165	F82-E86 WeakPolarHBondContact O-CB 3.34Å; F82-E86 PolarHBondContact O-N 2.76Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.18Å; E86-Y88 PolarHBondContact O-N 2.72Å; E86-V89 PolarHBondContact O-N 3.41Å; E86-V90 HydrophobicContact CG-CG2 4.47Å; E86-V90 WeakPolarHBondContact O-CG2 3.41Å; E86-V90 PolarHBondContact O-N 2.88Å; E86-V163 HydrophobicContact CG-CB 3.93Å; E86-V163 HydrophobicContact CG-CG1 4.15Å; E86-V163 HydrophobicContact CG-CG2 4.08Å; E86-I165 HydrophobicContact CB-CD1 3.71Å
87	S	91.4	Very high	87.8	Confident	63 Å²	63	57.4 Å²	57.4	44%	0.441	29%	0.29	S	S	.	.	H	α-helix	trans	-57.9	-47.4	-179.3	-59.8	0	0	0	0	111.7	T83 V84 I85 V90 E91	T83-S87 PolarHBondContact O-N 3.21Å; T83-S87 VanDerWaalsContact O-N 3.15Å; T83-S87 PolarHBondContact O-OG 2.99Å; V84-S87 PolarHBondContact O-N 3.02Å; I85-S87 VanDerWaalsContact C-N 3.35Å; I85-S87 PolarHBondContact O-N 3.24Å; S87-V90 PolarHBondContact O-N 3.32Å; S87-E91 WeakPolarHBondContact O-CB 3.48Å; S87-E91 PolarHBondContact O-N 3.37Å
88	Y	91	Very high	88.3	Confident	30 Å²	30	52 Å²	52	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-35.8	178.7	-68.7	-16.7	0	0	0	113.4	V84 I85 E86 E91 F92 F124 V127	V84-Y88 HydrophobicContact CG1-CD2 4.15Å; V84-Y88 HydrophobicContact CG1-CE2 3.79Å; V84-Y88 PolarHBondContact O-N 3.18Å; V84-Y88 VanDerWaalsContact O-N 3.09Å; I85-Y88 PolarHBondContact O-N 2.74Å; E86-Y88 PolarHBondContact O-N 2.72Å; Y88-E91 PolarHBondContact O-N 3.15Å; Y88-F92 WeakPolarHBondContact O-CB 2.97Å; Y88-F92 PolarHBondContact O-N 3.09Å; Y88-F124 AromaticContact CD1-CD2 3.67Å; Y88-F124 HydrophobicContact CD1-CD2 3.67Å; Y88-F124 HydrophobicContact CD1-CE2 4.14Å; Y88-F124 HydrophobicContact CD2-CD2 4.37Å; Y88-F124 HydrophobicContact CE1-CD2 4.26Å; Y88-F124 AromaticContact CG-CD2 3.74Å; Y88-F124 HydrophobicContact CG-CD2 3.74Å; Y88-F124 HydrophobicContact CG-CE2 4.14Å; Y88-F124 WeakPolarHBondContact O-CE2 3.07Å; Y88-V127 HydrophobicContact CD2-CB 3.94Å; Y88-V127 HydrophobicContact CD2-CG1 3.8Å; Y88-V127 HydrophobicContact CD2-CG2 4.44Å; Y88-V127 HydrophobicContact CE2-CB 4.06Å; Y88-V127 HydrophobicContact CE2-CG1 4.19Å; Y88-V127 HydrophobicContact CE2-CG2 4.07Å
89	V	91.6	Very high	88.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-44.4	175	168.9	0	0	0	0	110.6	V72 I85 E86 E91 F92 L93 L128 V132 I135	V72-V89 HydrophobicContact CG1-CG2 4.13Å; V72-V89 HydrophobicContact CG2-CG1 3.87Å; V72-V89 HydrophobicContact CG2-CG2 4.41Å; I85-V89 HydrophobicContact CG2-CG2 4.06Å; I85-V89 WeakPolarHBondContact O-CB 3.42Å; I85-V89 VanDerWaalsContact O-CG2 3.24Å; I85-V89 WeakPolarHBondContact O-CG2 3.34Å; I85-V89 PolarHBondContact O-N 3.06Å; E86-V89 PolarHBondContact O-N 3.41Å; V89-E91 PolarHBondContact O-N 3.09Å; V89-F92 WeakPolarHBondContact O-CB 3.34Å; V89-F92 PolarHBondContact O-N 2.98Å; V89-L93 HydrophobicContact CG1-CD1 3.8Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CB 3.44Å; V89-L93 WeakPolarHBondContact O-CG 3.42Å; V89-L93 PolarHBondContact O-N 3.47Å; V89-L128 HydrophobicContact CG2-CD2 3.82Å; V89-V132 HydrophobicContact CG2-CG2 4.13Å; V89-I135 HydrophobicContact CG1-CD1 3.84Å; V89-I135 HydrophobicContact CG1-CG1 4.46Å; V89-I135 HydrophobicContact CG2-CD1 4.17Å
90	V	92.6	Very high	89.3	Confident	38 Å²	38	52.6 Å²	52.6	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-48	175.9	173.5	0	0	0	0	110.1	E86 S87 F92 L93 R94 V163	E86-V90 HydrophobicContact CG-CG2 4.47Å; E86-V90 WeakPolarHBondContact O-CG2 3.41Å; E86-V90 PolarHBondContact O-N 2.88Å; S87-V90 PolarHBondContact O-N 3.32Å; V90-F92 PolarHBondContact O-N 3.43Å; V90-L93 PolarHBondContact O-N 3.42Å; V90-R94 HydrophobicContact CG1-CG 4.13Å; V90-R94 WeakPolarHBondContact O-CB 3.04Å; V90-R94 WeakPolarHBondContact O-CG 3.31Å; V90-R94 PolarHBondContact O-N 3.06Å; V90-V163 HydrophobicContact CG2-CG2 3.55Å
91	E	90.1	Very high	89.3	Confident	84 Å²	84	49.6 Å²	49.6	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-44.4	177.9	-179.1	166.9	-167	0	0	112.1	S87 Y88 V89 R94 Q95 F124	S87-E91 WeakPolarHBondContact O-CB 3.48Å; S87-E91 PolarHBondContact O-N 3.37Å; Y88-E91 PolarHBondContact O-N 3.15Å; V89-E91 PolarHBondContact O-N 3.09Å; E91-R94 PolarHBondContact O-N 2.84Å; E91-Q95 WeakPolarHBondContact O-CG 3.49Å; E91-Q95 PolarHBondContact O-N 3.11Å; E91-Q95 VanDerWaalsContact O-N 3.11Å; E91-F124 HydrophobicContact CB-CE2 4.12Å; E91-F124 HydrophobicContact CG-CE2 4.12Å
92	F	90.2	Very high	89.2	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-53.1	173.7	173	-112.3	0	0	0	111.8	Y88 V89 V90 R94 Q95 L96 L105 F108 E111 L112 V115 F124 L128 I135	Y88-F92 WeakPolarHBondContact O-CB 2.97Å; Y88-F92 PolarHBondContact O-N 3.09Å; V89-F92 WeakPolarHBondContact O-CB 3.34Å; V89-F92 PolarHBondContact O-N 2.98Å; V90-F92 PolarHBondContact O-N 3.43Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.2Å; F92-Q95 PolarHBondContact O-N 2.71Å; F92-Q95 VanDerWaalsContact O-N 3.08Å; F92-L96 HydrophobicContact CD1-CD1 4.32Å; F92-L96 HydrophobicContact CE1-CD1 3.71Å; F92-L96 HydrophobicContact CE1-CG 4.28Å; F92-L96 HydrophobicContact CE2-CD1 4.49Å; F92-L96 HydrophobicContact CE2-CD2 3.91Å; F92-L96 HydrophobicContact CE2-CG 4.27Å; F92-L96 HydrophobicContact CZ-CD1 3.79Å; F92-L96 HydrophobicContact CZ-CD2 3.87Å; F92-L96 HydrophobicContact CZ-CG 4.06Å; F92-L96 PolarHBondContact O-N 2.81Å; F92-L96 VanDerWaalsContact O-N 3.13Å; F92-L105 HydrophobicContact CE1-CD1 4.1Å; F92-F108 AromaticContact CE1-CD1 3.58Å; F92-F108 HydrophobicContact CE1-CD1 3.58Å; F92-F108 AromaticContact CE1-CE1 3.96Å; F92-F108 HydrophobicContact CE1-CE1 3.96Å; F92-F108 HydrophobicContact CE1-CG 4.43Å; F92-F108 HydrophobicContact CZ-CB 4.17Å; F92-F108 AromaticContact CZ-CD1 3.71Å; F92-F108 HydrophobicContact CZ-CD1 3.71Å; F92-F108 HydrophobicContact CZ-CG 4.3Å; F92-E111 HydrophobicContact CE2-CB 4.39Å; F92-E111 HydrophobicContact CZ-CB 4.05Å; F92-L112 HydrophobicContact CD2-CD1 4.44Å; F92-L112 HydrophobicContact CE2-CD1 3.81Å; F92-L112 HydrophobicContact CE2-CG 4.24Å; F92-L112 HydrophobicContact CZ-CD1 4.21Å; F92-V115 HydrophobicContact CD2-CG1 4.34Å; F92-V115 HydrophobicContact CD2-CG2 4.01Å; F92-V115 HydrophobicContact CE2-CG2 4Å; F92-F124 HydrophobicContact CB-CE1 4.45Å; F92-F124 HydrophobicContact CB-CZ 3.74Å; F92-L128 HydrophobicContact CB-CD1 3.87Å; F92-L128 HydrophobicContact CD2-CD1 4.11Å; F92-L128 HydrophobicContact CG-CD1 4.02Å; F92-I135 HydrophobicContact CD1-CD1 4.22Å; F92-I135 HydrophobicContact CE1-CD1 4.34Å
93	L	91.2	Very high	89	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-36.8	-178.6	-69.1	176.6	0	0	0	112.2	A70 V89 V90 Q95 L96 L105 I135 L137 L156 I161	A70-L93 HydrophobicContact CB-CD1 3.87Å; V89-L93 HydrophobicContact CG1-CD1 3.8Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CB 3.44Å; V89-L93 WeakPolarHBondContact O-CG 3.42Å; V89-L93 PolarHBondContact O-N 3.47Å; V90-L93 PolarHBondContact O-N 3.42Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.34Å; L93-L96 HydrophobicContact CD2-CD1 4.1Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-L105 HydrophobicContact CD2-CD1 4.19Å; L93-I135 HydrophobicContact CD2-CG2 4.41Å; L93-L137 HydrophobicContact CD1-CD2 3.89Å; L93-L137 HydrophobicContact CD2-CD1 4.02Å; L93-L137 HydrophobicContact CD2-CD2 3.98Å; L93-L137 HydrophobicContact CD2-CG 4.48Å; L93-L156 HydrophobicContact CB-CD1 4.43Å; L93-L156 HydrophobicContact CD2-CD1 4.34Å; L93-L156 VanDerWaalsContact O-CB 3.29Å; L93-L156 WeakPolarHBondContact O-CB 3.44Å; L93-I161 HydrophobicContact CB-CD1 3.97Å; L93-I161 HydrophobicContact CD1-CD1 4.36Å; L93-I161 HydrophobicContact CD1-CG2 4.15Å
94	R	91.5	Very high	88.8	Confident	49 Å²	49	43.1 Å²	43.1	19%	0.185	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-35.5	175.1	-67.9	-80.3	-179.2	-154.9	2.8	111.6	V90 E91 F92 L156 C157 T159	V90-R94 HydrophobicContact CG1-CG 4.13Å; V90-R94 WeakPolarHBondContact O-CB 3.04Å; V90-R94 WeakPolarHBondContact O-CG 3.31Å; V90-R94 PolarHBondContact O-N 3.06Å; E91-R94 PolarHBondContact O-N 2.84Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.2Å; R94-L156 WeakPolarHBondContact CD-O 3.24Å; R94-L156 PolarHBondContact NH1-O 3.12Å; R94-C157 WeakPolarHBondContact CD-O 3.44Å; R94-C157 PolarHBondContact NH1-O 2.65Å; R94-C157 PolarHBondContact O-SG 2.92Å; R94-T159 VanDerWaalsContact CZ-O 3.27Å; R94-T159 PolarHBondContact NH1-O 3.17Å; R94-T159 PolarHBondContact NH2-O 2.79Å
95	Q	88.1	Confident	88.7	Confident	71 Å²	71	41.6 Å²	41.6	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-77.2	-24.5	178.9	-68.8	-173.6	42.7	0	0	113.6	E91 F92 L93 G97 V115	E91-Q95 WeakPolarHBondContact O-CG 3.49Å; E91-Q95 PolarHBondContact O-N 3.11Å; E91-Q95 VanDerWaalsContact O-N 3.11Å; F92-Q95 PolarHBondContact O-N 2.71Å; F92-Q95 VanDerWaalsContact O-N 3.08Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.34Å; Q95-G97 PolarHBondContact O-N 3.32Å; Q95-V115 HydrophobicContact CB-CB 4.48Å; Q95-V115 HydrophobicContact CB-CG1 3.94Å; Q95-V115 HydrophobicContact CB-CG2 4Å; Q95-V115 HydrophobicContact CG-CG1 4.31Å
96	L	86.7	Confident	88	Confident	22 Å²	22	46.6 Å²	46.6	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-23.4	176.2	-68.4	-177.1	0	0	0	114.1	F92 L93 R99 L105 E111 V115	F92-L96 HydrophobicContact CD1-CD1 4.32Å; F92-L96 HydrophobicContact CE1-CD1 3.71Å; F92-L96 HydrophobicContact CE1-CG 4.28Å; F92-L96 HydrophobicContact CE2-CD1 4.49Å; F92-L96 HydrophobicContact CE2-CD2 3.91Å; F92-L96 HydrophobicContact CE2-CG 4.27Å; F92-L96 HydrophobicContact CZ-CD1 3.79Å; F92-L96 HydrophobicContact CZ-CD2 3.87Å; F92-L96 HydrophobicContact CZ-CG 4.06Å; F92-L96 PolarHBondContact O-N 2.81Å; F92-L96 VanDerWaalsContact O-N 3.13Å; L93-L96 HydrophobicContact CD2-CD1 4.1Å; L93-L96 PolarHBondContact O-N 3.48Å; L96-R99 HydrophobicContact CB-CG 4.49Å; L96-L105 HydrophobicContact CD1-CD1 3.81Å; L96-E111 HydrophobicContact CD2-CB 3.98Å; L96-V115 HydrophobicContact CD2-CG2 4.09Å
97	G	84.2	Confident	86.7	Confident	8 Å²	8	51 Å²	51	8%	0.082	26%	0.264	C	S	.	.			trans	73.7	-146.7	179.5	0	0	0	0	0	114.5	Q95 R99 L156	Q95-G97 PolarHBondContact O-N 3.32Å; G97-R99 PolarHBondContact O-N 2.9Å; G97-L156 WeakPolarHBondContact O-CB 3.34Å; G97-L156 PolarHBondContact O-N 2.92Å
98	P	87.8	Confident	85.6	Confident	84 Å²	84	48.5 Å²	48.5	55%	0.545	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.6	179.3	-21.4	33.2	0	0	0	112.9	V154	P98-V154 WeakPolarHBondContact CA-O 3.35Å
99	R	86.6	Confident	84.1	Confident	55 Å²	55	51.4 Å²	51.4	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.6	178.5	-74	-63.5	-177.2	143	0.2	112.1	L96 G97 E111 S153 V154 L156	L96-R99 HydrophobicContact CB-CG 4.49Å; G97-R99 PolarHBondContact O-N 2.9Å; R99-E111 IonicContact CZ-OE1 3.03Å; R99-E111 IonicContact CZ-OE2 3.8Å; R99-E111 IonicContact NH1-OE1 3.15Å; R99-E111 PolarHBondContact NH1-OE1 3.17Å; R99-E111 IonicContact NH2-OE1 3.64Å; R99-E111 PolarHBondContact NH2-OE1 2.63Å; R99-E111 IonicContact NH2-OE2 3.43Å; R99-E111 PolarHBondContact NH2-OE2 3.31Å; R99-S153 CarbonylContact O-C 3.6Å; R99-S153 WeakPolarHBondContact O-CA 3.42Å; R99-V154 PolarHBondContact N-O 3.34Å; R99-V154 PolarHBondContact O-N 3.45Å; R99-L156 HydrophobicContact CB-CD1 3.97Å; R99-L156 HydrophobicContact CB-CG 4.37Å; R99-L156 HydrophobicContact CG-CD1 3.77Å
100	H	86	Confident	82.8	Confident	114 Å²	114	57.9 Å²	57.9	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.9	168.8	-73.2	-82.6	0	0	0	109.3	T103 G151 R152	H100-T103 WeakPolarHBondContact O-CB 3.26Å; H100-T103 PolarHBondContact O-OG1 3.48Å; H100-G151 PolarHBondContact ND1-O 2.83Å; H100-R152 CarbonylContact C-O 3.57Å; H100-R152 WeakPolarHBondContact CA-O 3.34Å
101	I	84.6	Confident	81.5	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.2	-179.4	-59.3	-176.3	0	0	0	108.2	V68 L137 L139 G151 R152 V154 L156	V68-I101 HydrophobicContact CB-CD1 4.4Å; V68-I101 HydrophobicContact CG1-CD1 3.75Å; V68-I101 HydrophobicContact CG2-CD1 3.66Å; I101-L137 HydrophobicContact CD1-CB 4.48Å; I101-L137 HydrophobicContact CG1-CB 4.45Å; I101-L137 HydrophobicContact CG2-CB 4.49Å; I101-L137 WeakPolarHBondContact CG2-O 3.41Å; I101-L139 HydrophobicContact CG2-CD1 4.45Å; I101-L139 HydrophobicContact CG2-CG 3.91Å; I101-G151 CarbonylContact O-C 3.56Å; I101-G151 WeakPolarHBondContact O-CA 3.48Å; I101-R152 PolarHBondContact N-O 3.12Å; I101-R152 PolarHBondContact O-N 3Å; I101-V154 HydrophobicContact CD1-CB 3.78Å; I101-V154 HydrophobicContact CD1-CG1 4.22Å; I101-V154 HydrophobicContact CD1-CG2 4Å; I101-V154 HydrophobicContact CG1-CB 4.34Å; I101-V154 HydrophobicContact CG1-CG2 4.4Å; I101-L156 HydrophobicContact CD1-CD2 4.07Å
102	P	84.9	Confident	80.2	Confident	43 Å²	43	53.7 Å²	53.7	28%	0.279	28%	0.276	S	S	.	.	S	Bend	cis	-77.4	147.2	10.9	31.9	-35.1	0	0	0	114.1	L137 M138 N148	P102-L137 VanDerWaalsContact CA-O 3.26Å; P102-L137 WeakPolarHBondContact CA-O 3.48Å; P102-M138 HydrophobicContact CB-CG 4.27Å; P102-N148 HydrophobicContact CG-CB 3.81Å
103	T	85.7	Confident	78.9	Confident	38 Å²	38	59.6 Å²	59.6	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.1	173.4	-76.9	0	0	0	0	110.2	H100 L105 L137	H100-T103 WeakPolarHBondContact O-CB 3.26Å; H100-T103 PolarHBondContact O-OG1 3.48Å; T103-L105 HydrophobicContact CG2-CD2 3.58Å; T103-L105 HydrophobicContact CG2-CG 4.17Å; T103-L137 PolarHBondContact N-O 3.46Å; T103-L137 VanDerWaalsContact N-O 3.14Å; T103-L137 PolarHBondContact O-N 3.46Å
104	V	86.6	Confident	77.6	Confident	76 Å²	76	65.8 Å²	65.8	46%	0.461	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.4	170.3	-173	0	0	0	0	108.8	N106 N136	V104-N106 WeakPolarHBondContact CG1-OD1 3.38Å; V104-N136 HydrophobicContact CG2-CB 4.49Å
105	L	87.6	Confident	76.1	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	104.1	175.8	-58.1	-179.2	0	0	0	107.9	F92 L93 L96 T103 F108 E111 S134 I135 L137	F92-L105 HydrophobicContact CE1-CD1 4.1Å; L93-L105 HydrophobicContact CD2-CD1 4.19Å; L96-L105 HydrophobicContact CD1-CD1 3.81Å; T103-L105 HydrophobicContact CG2-CD2 3.58Å; T103-L105 HydrophobicContact CG2-CG 4.17Å; L105-F108 HydrophobicContact CB-CD1 3.51Å; L105-F108 HydrophobicContact CB-CE1 3.09Å; L105-F108 HydrophobicContact CB-CZ 3.96Å; L105-F108 HydrophobicContact CD1-CD1 4.16Å; L105-F108 HydrophobicContact CD1-CE1 3.91Å; L105-F108 HydrophobicContact CG-CD1 4.44Å; L105-F108 HydrophobicContact CG-CE1 4.14Å; L105-F108 WeakPolarHBondContact O-CE1 3.35Å; L105-F108 WeakPolarHBondContact O-CZ 3.19Å; L105-E111 WeakPolarHBondContact CD2-OE1 3.4Å; L105-E111 VanDerWaalsContact CD2-OE2 3.22Å; L105-E111 WeakPolarHBondContact CD2-OE2 3.33Å; L105-S134 WeakPolarHBondContact O-CA 3.39Å; L105-I135 HydrophobicContact CB-CB 4.38Å; L105-I135 PolarHBondContact N-O 3.31Å; L105-I135 PolarHBondContact O-N 2.9Å; L105-I135 VanDerWaalsContact O-N 3.11Å; L105-L137 HydrophobicContact CD1-CD1 4.43Å
106	N	77.2	Confident	74.6	Confident	105 Å²	105	64.8 Å²	64.8	56%	0.561	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.3	177	-66.8	-37.7	0	0	0	108	V104 S134	V104-N106 WeakPolarHBondContact CG1-OD1 3.38Å; N106-S134 VanDerWaalsContact OD1-CB 3.25Å; N106-S134 WeakPolarHBondContact OD1-CB 3.45Å
107	K	66.1	Low	72.8	Confident	177 Å²	177	67.9 Å²	67.9	77%	0.77	37%	0.367	S	S	*	.	S	Bend	trans	54.5	68.4	177.6	-55.5	179.9	180	-177.3	0	111.6	D109	K107-D109 PolarHBondContact O-N 2.87Å
108	F	68.4	Low	71.3	Confident	11 Å²	11	73.9 Å²	73.9	5%	0.048	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	9.3	-172.1	-47.9	-96.8	0	0	0	115.5	F92 L105 N110 E111 L112 V132 I135	F92-F108 AromaticContact CE1-CD1 3.58Å; F92-F108 HydrophobicContact CE1-CD1 3.58Å; F92-F108 AromaticContact CE1-CE1 3.96Å; F92-F108 HydrophobicContact CE1-CE1 3.96Å; F92-F108 HydrophobicContact CE1-CG 4.43Å; F92-F108 HydrophobicContact CZ-CB 4.17Å; F92-F108 AromaticContact CZ-CD1 3.71Å; F92-F108 HydrophobicContact CZ-CD1 3.71Å; F92-F108 HydrophobicContact CZ-CG 4.3Å; L105-F108 HydrophobicContact CB-CD1 3.51Å; L105-F108 HydrophobicContact CB-CE1 3.09Å; L105-F108 HydrophobicContact CB-CZ 3.96Å; L105-F108 HydrophobicContact CD1-CD1 4.16Å; L105-F108 HydrophobicContact CD1-CE1 3.91Å; L105-F108 HydrophobicContact CG-CD1 4.44Å; L105-F108 HydrophobicContact CG-CE1 4.14Å; L105-F108 WeakPolarHBondContact O-CE1 3.35Å; L105-F108 WeakPolarHBondContact O-CZ 3.19Å; F108-N110 VanDerWaalsContact C-N 3.29Å; F108-N110 PolarHBondContact O-N 3.01Å; F108-E111 CarbonylContact O-C 3.53Å; F108-E111 WeakPolarHBondContact O-CA 3.32Å; F108-E111 PolarHBondContact O-N 3Å; F108-L112 HydrophobicContact CB-CD1 3.15Å; F108-L112 HydrophobicContact CG-CD1 4.19Å; F108-L112 VanDerWaalsContact O-CD1 3.25Å; F108-L112 WeakPolarHBondContact O-CD1 3.44Å; F108-L112 PolarHBondContact O-N 3.02Å; F108-V132 HydrophobicContact CE2-CB 4.38Å; F108-V132 HydrophobicContact CE2-CG1 3.83Å; F108-V132 HydrophobicContact CZ-CG1 3.96Å; F108-I135 HydrophobicContact CD1-CD1 4.46Å; F108-I135 HydrophobicContact CE1-CB 3.82Å; F108-I135 HydrophobicContact CE1-CD1 3.41Å; F108-I135 VanDerWaalsContact CE1-CD1 3.41Å; F108-I135 HydrophobicContact CE1-CG1 3.8Å; F108-I135 HydrophobicContact CE2-CD1 4.46Å; F108-I135 HydrophobicContact CZ-CB 3.77Å; F108-I135 HydrophobicContact CZ-CD1 3.47Å; F108-I135 VanDerWaalsContact CZ-CD1 3.47Å; F108-I135 HydrophobicContact CZ-CG1 3.49Å; F108-I135 VanDerWaalsContact CZ-CG1 3.49Å
109	D	59.5	Low	69.7	Low	91 Å²	91	76 Å²	76	49%	0.487	41%	0.413	S	S	.	.	H	α-helix	trans	-52.3	-43.5	-173.4	-66.5	-25.7	0	0	0	113.1	K107 E111 N113	K107-D109 PolarHBondContact O-N 2.87Å; D109-E111 VanDerWaalsContact C-N 3.32Å; D109-E111 PolarHBondContact O-N 3.3Å; D109-N113 PolarHBondContact O-N 2.84Å; D109-N113 PolarHBondContact O-ND2 3.42Å
110	N	62.7	Low	68.5	Low	136 Å²	136	79.2 Å²	79.2	73%	0.727	43%	0.431	S	S	*	.	H	α-helix	trans	-68.2	-33.3	177.3	-73.5	-23.2	0	0	0	112.6	F108	F108-N110 VanDerWaalsContact C-N 3.29Å; F108-N110 PolarHBondContact O-N 3.01Å
111	E	67	Low	67.7	Low	31 Å²	31	75.7 Å²	75.7	15%	0.145	42%	0.418	C	S	.	.	H	α-helix	trans	-83.5	-33.6	-177.7	-56	-157.5	152	0	0	112.2	F92 L96 R99 L105 F108 D109 N113 L114 V115	F92-E111 HydrophobicContact CE2-CB 4.39Å; F92-E111 HydrophobicContact CZ-CB 4.05Å; L96-E111 HydrophobicContact CD2-CB 3.98Å; R99-E111 IonicContact CZ-OE1 3.03Å; R99-E111 IonicContact CZ-OE2 3.8Å; R99-E111 IonicContact NH1-OE1 3.15Å; R99-E111 PolarHBondContact NH1-OE1 3.17Å; R99-E111 IonicContact NH2-OE1 3.64Å; R99-E111 PolarHBondContact NH2-OE1 2.63Å; R99-E111 IonicContact NH2-OE2 3.43Å; R99-E111 PolarHBondContact NH2-OE2 3.31Å; L105-E111 WeakPolarHBondContact CD2-OE1 3.4Å; L105-E111 VanDerWaalsContact CD2-OE2 3.22Å; L105-E111 WeakPolarHBondContact CD2-OE2 3.33Å; F108-E111 CarbonylContact O-C 3.53Å; F108-E111 WeakPolarHBondContact O-CA 3.32Å; F108-E111 PolarHBondContact O-N 3Å; D109-E111 VanDerWaalsContact C-N 3.32Å; D109-E111 PolarHBondContact O-N 3.3Å; E111-N113 VanDerWaalsContact C-N 3.26Å; E111-N113 PolarHBondContact O-N 2.64Å; E111-L114 WeakPolarHBondContact O-CB 3.28Å; E111-L114 PolarHBondContact O-N 2.75Å; E111-V115 WeakPolarHBondContact O-CG2 3.29Å
112	L	61.8	Low	67	Low	3 Å²	3	82 Å²	82	2%	0.016	45%	0.451	C	S	.	.	H	α-helix	trans	-61.5	-36.3	174.1	-100.4	88.6	0	0	0	110.9	F92 F108 L114 V115 H125 L128	F92-L112 HydrophobicContact CD2-CD1 4.44Å; F92-L112 HydrophobicContact CE2-CD1 3.81Å; F92-L112 HydrophobicContact CE2-CG 4.24Å; F92-L112 HydrophobicContact CZ-CD1 4.21Å; F108-L112 HydrophobicContact CB-CD1 3.15Å; F108-L112 HydrophobicContact CG-CD1 4.19Å; F108-L112 VanDerWaalsContact O-CD1 3.25Å; F108-L112 WeakPolarHBondContact O-CD1 3.44Å; F108-L112 PolarHBondContact O-N 3.02Å; L112-L114 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact O-N 3.15Å; L112-V115 WeakPolarHBondContact O-CB 3.41Å; L112-V115 PolarHBondContact O-N 3.07Å; L112-V115 VanDerWaalsContact O-O 3.14Å; L112-H125 VanDerWaalsContact CB-CE1 3.45Å; L112-H125 WeakPolarHBondContact CB-CE1 3.38Å; L112-H125 HydrophobicContact CD2-CB 3.74Å; L112-H125 WeakPolarHBondContact CD2-ND1 3.48Å; L112-H125 PolarHBondContact O-CE1 2.69Å; L112-H125 VanDerWaalsContact O-CE1 3.24Å; L112-L128 HydrophobicContact CD2-CB 4.43Å
113	N	63.2	Low	66.8	Low	124 Å²	124	84.7 Å²	84.7	66%	0.663	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.4	176.1	-70.4	-30.2	0	0	0	113.7	D109 E111 V115	D109-N113 PolarHBondContact O-N 2.84Å; D109-N113 PolarHBondContact O-ND2 3.42Å; E111-N113 VanDerWaalsContact C-N 3.26Å; E111-N113 PolarHBondContact O-N 2.64Å; N113-V115 VanDerWaalsContact C-N 3.32Å
114	L	63.3	Low	66.6	Low	130 Å²	130	83.6 Å²	83.6	68%	0.681	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.8	175.6	-61.5	166.6	0	0	0	112.4	E111 L112	E111-L114 WeakPolarHBondContact O-CB 3.28Å; E111-L114 PolarHBondContact O-N 2.75Å; L112-L114 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact O-N 3.15Å
115	V	61.4	Low	66.2	Low	3 Å²	3	81.8 Å²	81.8	2%	0.018	44%	0.437	C	S	.	.			trans	-105.9	101.2	-169.7	174.4	0	0	0	0	107.3	F92 Q95 L96 E111 L112 N113 F124 H125	F92-V115 HydrophobicContact CD2-CG1 4.34Å; F92-V115 HydrophobicContact CD2-CG2 4.01Å; F92-V115 HydrophobicContact CE2-CG2 4Å; Q95-V115 HydrophobicContact CB-CB 4.48Å; Q95-V115 HydrophobicContact CB-CG1 3.94Å; Q95-V115 HydrophobicContact CB-CG2 4Å; Q95-V115 HydrophobicContact CG-CG1 4.31Å; L96-V115 HydrophobicContact CD2-CG2 4.09Å; E111-V115 WeakPolarHBondContact O-CG2 3.29Å; L112-V115 WeakPolarHBondContact O-CB 3.41Å; L112-V115 PolarHBondContact O-N 3.07Å; L112-V115 VanDerWaalsContact O-O 3.14Å; N113-V115 VanDerWaalsContact C-N 3.32Å; V115-F124 HydrophobicContact CG1-CE1 3.97Å; V115-F124 HydrophobicContact CG1-CZ 4.39Å; V115-H125 PolarHBondContact O-NE2 2.95Å
116	T	54.7	Low	66	Low	96 Å²	96	87.7 Å²	87.7	59%	0.589	46%	0.464	S	S	*	.			trans	-141.8	111	177.7	44.8	0	0	0	0	111
117	C	50.9	Low	66.3	Low	88 Å²	88	83 Å²	83	60%	0.595	44%	0.439	S	S	*	.			trans	-161.6	115	158.3	-84.7	0	0	0	0	109.3
118	N	52.4	Low	67.2	Low	133 Å²	133	74.7 Å²	74.7	71%	0.711	40%	0.403	S	S	*	.	S	Bend	trans	110.3	158.9	162.6	-56.4	-22.8	0	0	0	119.2	E120 V121	N118-E120 PolarHBondContact O-N 3.25Å; N118-E120 VanDerWaalsContact O-N 3.12Å; N118-V121 WeakPolarHBondContact O-CB 3.48Å; N118-V121 WeakPolarHBondContact O-CG2 3.29Å; N118-V121 PolarHBondContact O-N 2.81Å
119	S	53.4	Low	68	Low	128 Å²	128	77.9 Å²	77.9	90%	0.895	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-8.9	-171.4	51.3	0	0	0	0	115.6
120	E	61.7	Low	69.3	Low	124 Å²	124	76.7 Å²	76.7	58%	0.579	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	6.4	174.9	-64.3	-154.7	159.9	0	0	114.1	N118 N122 K123 F124	N118-E120 PolarHBondContact O-N 3.25Å; N118-E120 VanDerWaalsContact O-N 3.12Å; E120-N122 PolarHBondContact O-N 3.31Å; E120-K123 PolarHBondContact O-N 3.23Å; E120-F124 PolarHBondContact O-N 2.81Å
121	V	69.2	Low	70.5	Confident	40 Å²	40	70.4 Å²	70.4	24%	0.242	39%	0.389	C	S	.	.	H	α-helix	trans	-45.8	-40.1	-179.1	159	0	0	0	0	112.6	N118 K123 F124 H125	N118-V121 WeakPolarHBondContact O-CB 3.48Å; N118-V121 WeakPolarHBondContact O-CG2 3.29Å; N118-V121 PolarHBondContact O-N 2.81Å; V121-K123 PolarHBondContact O-N 3.44Å; V121-F124 PolarHBondContact O-N 3.02Å; V121-H125 VanDerWaalsContact O-CB 3.32Å; V121-H125 WeakPolarHBondContact O-CB 3.46Å; V121-H125 PolarHBondContact O-CD2 3.29Å; V121-H125 PolarHBondContact O-N 3.27Å
122	N	70.4	Confident	71.6	Confident	136 Å²	136	69.4 Å²	69.4	73%	0.727	39%	0.385	S	S	*	.	H	α-helix	trans	-63.4	-43	179.2	-70.6	-15.7	0	0	0	112.6	E120 Q126	E120-N122 PolarHBondContact O-N 3.31Å; N122-Q126 WeakPolarHBondContact O-CB 3.4Å; N122-Q126 PolarHBondContact O-N 2.83Å
123	K	79	Confident	72.9	Confident	100 Å²	100	71.8 Å²	71.8	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-70.6	-43.7	178.7	-170.9	-177.8	179.7	-170	0	110.6	E120 V121 Q126 V127	E120-K123 PolarHBondContact O-N 3.23Å; V121-K123 PolarHBondContact O-N 3.44Å; K123-Q126 PolarHBondContact O-N 3.32Å; K123-V127 HydrophobicContact CG-CG2 4.33Å; K123-V127 WeakPolarHBondContact O-CB 3.22Å; K123-V127 VanDerWaalsContact O-CG2 3.31Å; K123-V127 WeakPolarHBondContact O-CG2 3.22Å; K123-V127 PolarHBondContact O-N 2.82Å
124	F	81.6	Confident	74.3	Confident	16 Å²	16	67 Å²	67	7%	0.07	38%	0.381	C	S	.	.	H	α-helix	trans	-56.4	-53.3	176.4	177.2	-91.6	0	0	0	111.9	Y88 E91 F92 V115 E120 V121 Q126 V127 L128	Y88-F124 AromaticContact CD1-CD2 3.67Å; Y88-F124 HydrophobicContact CD1-CD2 3.67Å; Y88-F124 HydrophobicContact CD1-CE2 4.14Å; Y88-F124 HydrophobicContact CD2-CD2 4.37Å; Y88-F124 HydrophobicContact CE1-CD2 4.26Å; Y88-F124 AromaticContact CG-CD2 3.74Å; Y88-F124 HydrophobicContact CG-CD2 3.74Å; Y88-F124 HydrophobicContact CG-CE2 4.14Å; Y88-F124 WeakPolarHBondContact O-CE2 3.07Å; E91-F124 HydrophobicContact CB-CE2 4.12Å; E91-F124 HydrophobicContact CG-CE2 4.12Å; F92-F124 HydrophobicContact CB-CE1 4.45Å; F92-F124 HydrophobicContact CB-CZ 3.74Å; V115-F124 HydrophobicContact CG1-CE1 3.97Å; V115-F124 HydrophobicContact CG1-CZ 4.39Å; E120-F124 PolarHBondContact O-N 2.81Å; V121-F124 PolarHBondContact O-N 3.02Å; F124-Q126 PolarHBondContact O-N 3.28Å; F124-V127 PolarHBondContact O-N 2.9Å; F124-L128 HydrophobicContact CD1-CD1 3.85Å; F124-L128 HydrophobicContact CE1-CD1 3.34Å; F124-L128 HydrophobicContact CE2-CD1 4.13Å; F124-L128 HydrophobicContact CG-CD1 4.46Å; F124-L128 HydrophobicContact CZ-CD1 3.52Å; F124-L128 WeakPolarHBondContact O-CG 3.49Å; F124-L128 PolarHBondContact O-N 3.03Å; F124-L128 VanDerWaalsContact O-N 3.07Å
125	H	79.9	Confident	75.7	Confident	38 Å²	38	60.8 Å²	60.8	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-45.3	177.5	-81.3	-115.8	0	0	0	111.5	L112 V115 V121 V127 L128 T129	L112-H125 VanDerWaalsContact CB-CE1 3.45Å; L112-H125 WeakPolarHBondContact CB-CE1 3.38Å; L112-H125 HydrophobicContact CD2-CB 3.74Å; L112-H125 WeakPolarHBondContact CD2-ND1 3.48Å; L112-H125 PolarHBondContact O-CE1 2.69Å; L112-H125 VanDerWaalsContact O-CE1 3.24Å; V115-H125 PolarHBondContact O-NE2 2.95Å; V121-H125 VanDerWaalsContact O-CB 3.32Å; V121-H125 WeakPolarHBondContact O-CB 3.46Å; V121-H125 PolarHBondContact O-CD2 3.29Å; V121-H125 PolarHBondContact O-N 3.27Å; H125-V127 PolarHBondContact O-N 3.16Å; H125-L128 PolarHBondContact O-N 3.45Å; H125-T129 WeakPolarHBondContact O-CB 3.38Å; H125-T129 PolarHBondContact O-N 3.27Å; H125-T129 PolarHBondContact O-OG1 3.2Å; H125-T129 VanDerWaalsContact O-OG1 3.04Å
126	Q	81.9	Confident	77.2	Confident	132 Å²	132	61.8 Å²	61.8	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-58.4	-49	-179.9	-178.6	178.4	2.3	0	0	111.1	N122 K123 F124 T129 S130	N122-Q126 WeakPolarHBondContact O-CB 3.4Å; N122-Q126 PolarHBondContact O-N 2.83Å; K123-Q126 PolarHBondContact O-N 3.32Å; F124-Q126 PolarHBondContact O-N 3.28Å; Q126-T129 PolarHBondContact O-N 3.45Å; Q126-S130 VanDerWaalsContact O-CB 3.25Å; Q126-S130 WeakPolarHBondContact O-CB 3.24Å; Q126-S130 PolarHBondContact O-N 2.85Å; Q126-S130 PolarHBondContact O-OG 3.3Å
127	V	83.9	Confident	78.9	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-46.5	-179.9	171.7	0	0	0	0	111	E80 I85 Y88 K123 F124 H125 T129 S130 C131	E80-V127 HydrophobicContact CG-CG1 4.15Å; E80-V127 HydrophobicContact CG-CG2 4.08Å; I85-V127 HydrophobicContact CG1-CG1 4.44Å; Y88-V127 HydrophobicContact CD2-CB 3.94Å; Y88-V127 HydrophobicContact CD2-CG1 3.8Å; Y88-V127 HydrophobicContact CD2-CG2 4.44Å; Y88-V127 HydrophobicContact CE2-CB 4.06Å; Y88-V127 HydrophobicContact CE2-CG1 4.19Å; Y88-V127 HydrophobicContact CE2-CG2 4.07Å; K123-V127 HydrophobicContact CG-CG2 4.33Å; K123-V127 WeakPolarHBondContact O-CB 3.22Å; K123-V127 VanDerWaalsContact O-CG2 3.31Å; K123-V127 WeakPolarHBondContact O-CG2 3.22Å; K123-V127 PolarHBondContact O-N 2.82Å; F124-V127 PolarHBondContact O-N 2.9Å; H125-V127 PolarHBondContact O-N 3.16Å; V127-T129 PolarHBondContact O-N 3.08Å; V127-S130 PolarHBondContact O-N 3.05Å; V127-C131 HydrophobicContact CG1-CB 4.4Å; V127-C131 WeakPolarHBondContact O-CA 3.35Å; V127-C131 WeakPolarHBondContact O-CB 3.39Å; V127-C131 PolarHBondContact O-N 3.38Å
128	L	85.6	Confident	80.7	Confident	3 Å²	3	54 Å²	54	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-47.8	177.7	-71.1	175.2	0	0	0	111.6	V89 F92 L112 F124 H125 V132	V89-L128 HydrophobicContact CG2-CD2 3.82Å; F92-L128 HydrophobicContact CB-CD1 3.87Å; F92-L128 HydrophobicContact CD2-CD1 4.11Å; F92-L128 HydrophobicContact CG-CD1 4.02Å; L112-L128 HydrophobicContact CD2-CB 4.43Å; F124-L128 HydrophobicContact CD1-CD1 3.85Å; F124-L128 HydrophobicContact CE1-CD1 3.34Å; F124-L128 HydrophobicContact CE2-CD1 4.13Å; F124-L128 HydrophobicContact CG-CD1 4.46Å; F124-L128 HydrophobicContact CZ-CD1 3.52Å; F124-L128 WeakPolarHBondContact O-CG 3.49Å; F124-L128 PolarHBondContact O-N 3.03Å; F124-L128 VanDerWaalsContact O-N 3.07Å; H125-L128 PolarHBondContact O-N 3.45Å; L128-V132 HydrophobicContact CD2-CG2 4.1Å; L128-V132 VanDerWaalsContact O-CB 3.27Å; L128-V132 WeakPolarHBondContact O-CB 3.48Å; L128-V132 PolarHBondContact O-N 3.08Å
129	T	84.4	Confident	82.3	Confident	79 Å²	79	49.5 Å²	49.5	49%	0.485	28%	0.279	S	S	.	.	H	α-helix	trans	-71.4	-33.7	-177.7	-55.6	0	0	0	0	113	H125 Q126 V127	H125-T129 WeakPolarHBondContact O-CB 3.38Å; H125-T129 PolarHBondContact O-N 3.27Å; H125-T129 PolarHBondContact O-OG1 3.2Å; H125-T129 VanDerWaalsContact O-OG1 3.04Å; Q126-T129 PolarHBondContact O-N 3.45Å; V127-T129 PolarHBondContact O-N 3.08Å
130	S	86.2	Confident	83.2	Confident	65 Å²	65	46.5 Å²	46.5	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-85.2	-35.7	-179.1	67.4	0	0	0	0	113.5	S75 Q126 V127	S75-S130 WeakPolarHBondContact CB-O 3.16Å; Q126-S130 VanDerWaalsContact O-CB 3.25Å; Q126-S130 WeakPolarHBondContact O-CB 3.24Å; Q126-S130 PolarHBondContact O-N 2.85Å; Q126-S130 PolarHBondContact O-OG 3.3Å; V127-S130 PolarHBondContact O-N 3.05Å
131	C	88.9	Confident	83.3	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-102	-26.3	-170.1	-57	0	0	0	0	113.2	V74 S75 N78 I85 V127	V74-C131 CarbonylContact C-O 3.5Å; V74-C131 VanDerWaalsContact CA-O 3.22Å; V74-C131 WeakPolarHBondContact CA-O 3.25Å; V74-C131 WeakPolarHBondContact CB-O 3.35Å; S75-C131 PolarHBondContact N-O 3.13Å; N78-C131 HydrophobicContact CB-CB 4.46Å; N78-C131 WeakPolarHBondContact OD1-CB 3.46Å; N78-C131 PolarHBondContact OD1-SG 3.46Å; I85-C131 HydrophobicContact CD1-CB 4.11Å; V127-C131 HydrophobicContact CG1-CB 4.4Å; V127-C131 WeakPolarHBondContact O-CA 3.35Å; V127-C131 WeakPolarHBondContact O-CB 3.39Å; V127-C131 PolarHBondContact O-N 3.38Å
132	V	89.6	Confident	82.3	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117	-177.4	-175.6	0	0	0	0	110.5	V72 I85 V89 F108 L128 I135	V72-V132 HydrophobicContact CG1-CG1 3.72Å; V72-V132 HydrophobicContact CG1-CG2 4.15Å; I85-V132 HydrophobicContact CG2-CG2 3.94Å; V89-V132 HydrophobicContact CG2-CG2 4.13Å; F108-V132 HydrophobicContact CE2-CB 4.38Å; F108-V132 HydrophobicContact CE2-CG1 3.83Å; F108-V132 HydrophobicContact CZ-CG1 3.96Å; L128-V132 HydrophobicContact CD2-CG2 4.1Å; L128-V132 VanDerWaalsContact O-CB 3.27Å; L128-V132 WeakPolarHBondContact O-CB 3.48Å; L128-V132 PolarHBondContact O-N 3.08Å; V132-I135 HydrophobicContact CG1-CD1 4.11Å; V132-I135 HydrophobicContact CG1-CG1 3.79Å
133	A	89.7	Confident	81	Confident	53 Å²	53	41.9 Å²	41.9	44%	0.438	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-43.2	177.2	0	0	0	0	0	111.8	C73	C73-A133 HydrophobicContact CB-CB 4.41Å; C73-A133 WeakPolarHBondContact O-CB 3.35Å; C73-A133 PolarHBondContact O-N 3.11Å
134	S	91.9	Very high	79.3	Confident	23 Å²	23	39.3 Å²	39.3	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.8	178.3	62.1	0	0	0	0	111.9	C73 L105 N106	C73-S134 WeakPolarHBondContact CB-OG 3.32Å; C73-S134 PolarHBondContact N-O 3.36Å; C73-S134 PolarHBondContact O-N 3.36Å; L105-S134 WeakPolarHBondContact O-CA 3.39Å; N106-S134 VanDerWaalsContact OD1-CB 3.25Å; N106-S134 WeakPolarHBondContact OD1-CB 3.45Å
135	I	93.4	Very high	77.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.2	170.5	-65.9	162.1	0	0	0	107.6	A70 E71 V72 V89 F92 L93 L105 F108 V132 L137	A70-I135 HydrophobicContact CB-CG2 4.48Å; E71-I135 WeakPolarHBondContact O-CA 3.31Å; V72-I135 HydrophobicContact CG1-CG1 4.19Å; V72-I135 HydrophobicContact CG2-CG1 4.21Å; V89-I135 HydrophobicContact CG1-CD1 3.84Å; V89-I135 HydrophobicContact CG1-CG1 4.46Å; V89-I135 HydrophobicContact CG2-CD1 4.17Å; F92-I135 HydrophobicContact CD1-CD1 4.22Å; F92-I135 HydrophobicContact CE1-CD1 4.34Å; L93-I135 HydrophobicContact CD2-CG2 4.41Å; L105-I135 HydrophobicContact CB-CB 4.38Å; L105-I135 PolarHBondContact N-O 3.31Å; L105-I135 PolarHBondContact O-N 2.9Å; L105-I135 VanDerWaalsContact O-N 3.11Å; F108-I135 HydrophobicContact CD1-CD1 4.46Å; F108-I135 HydrophobicContact CE1-CB 3.82Å; F108-I135 HydrophobicContact CE1-CD1 3.41Å; F108-I135 VanDerWaalsContact CE1-CD1 3.41Å; F108-I135 HydrophobicContact CE1-CG1 3.8Å; F108-I135 HydrophobicContact CE2-CD1 4.46Å; F108-I135 HydrophobicContact CZ-CB 3.77Å; F108-I135 HydrophobicContact CZ-CD1 3.47Å; F108-I135 VanDerWaalsContact CZ-CD1 3.47Å; F108-I135 HydrophobicContact CZ-CG1 3.49Å; F108-I135 VanDerWaalsContact CZ-CG1 3.49Å; V132-I135 HydrophobicContact CG1-CD1 4.11Å; V132-I135 HydrophobicContact CG1-CG1 3.79Å; I135-L137 HydrophobicContact CG2-CD2 3.79Å; I135-L137 HydrophobicContact CG2-CG 4.18Å
136	N	91.8	Very high	76.5	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.5	174.1	-172.4	2.2	0	0	0	109.5	E71 V104 M138	E71-N136 HydrophobicContact CB-CB 4.25Å; E71-N136 PolarHBondContact N-O 2.97Å; E71-N136 PolarHBondContact O-N 2.88Å; V104-N136 HydrophobicContact CG2-CB 4.49Å; N136-M138 WeakPolarHBondContact OD1-CG 3.05Å
137	L	91.6	Very high	75.1	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.2	178.2	-59.9	178.6	0	0	0	109.6	V68 H69 A70 L93 I101 P102 T103 L105 I135 L156	V68-L137 HydrophobicContact CG1-CB 4.45Å; V68-L137 HydrophobicContact CG1-CD2 4.26Å; H69-L137 WeakPolarHBondContact O-CA 3.16Å; A70-L137 HydrophobicContact CB-CD2 3.71Å; L93-L137 HydrophobicContact CD1-CD2 3.89Å; L93-L137 HydrophobicContact CD2-CD1 4.02Å; L93-L137 HydrophobicContact CD2-CD2 3.98Å; L93-L137 HydrophobicContact CD2-CG 4.48Å; I101-L137 HydrophobicContact CD1-CB 4.48Å; I101-L137 HydrophobicContact CG1-CB 4.45Å; I101-L137 HydrophobicContact CG2-CB 4.49Å; I101-L137 WeakPolarHBondContact CG2-O 3.41Å; P102-L137 VanDerWaalsContact CA-O 3.26Å; P102-L137 WeakPolarHBondContact CA-O 3.48Å; T103-L137 PolarHBondContact N-O 3.46Å; T103-L137 VanDerWaalsContact N-O 3.14Å; T103-L137 PolarHBondContact O-N 3.46Å; L105-L137 HydrophobicContact CD1-CD1 4.43Å; I135-L137 HydrophobicContact CG2-CD2 3.79Å; I135-L137 HydrophobicContact CG2-CG 4.18Å; L137-L156 HydrophobicContact CD1-CD1 3.95Å
138	M	89.1	Confident	73.6	Confident	20 Å²	20	41.2 Å²	41.2	10%	0.099	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.5	178.6	-57.9	-171.3	-70.3	0	0	112.7	H69 E71 P102 N136 K264	H69-M138 PolarHBondContact N-O 2.86Å; H69-M138 PolarHBondContact O-N 2.7Å; E71-M138 HydrophobicContact CG-CE 4.28Å; E71-M138 WeakPolarHBondContact OE1-CE 3.43Å; E71-M138 WeakPolarHBondContact OE2-CE 3.42Å; P102-M138 HydrophobicContact CB-CG 4.27Å; N136-M138 WeakPolarHBondContact OD1-CG 3.05Å; M138-K264 VanDerWaalsContact CE-CE 3.42Å
139	L	85	Confident	71.9	Confident	39 Å²	39	45.3 Å²	45.3	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.7	170.7	-62.2	170.3	0	0	0	109.1	V68 I101 E141 R152 V154	V68-L139 HydrophobicContact CG2-CD2 3.81Å; I101-L139 HydrophobicContact CG2-CD1 4.45Å; I101-L139 HydrophobicContact CG2-CG 3.91Å; L139-E141 HydrophobicContact CB-CG 4.21Å; L139-E141 PolarHBondContact O-N 3.36Å; L139-R152 HydrophobicContact CD1-CB 4.41Å; L139-V154 HydrophobicContact CD1-CG2 4.24Å
140	D	73.2	Confident	70.5	Confident	64 Å²	64	45.3 Å²	45.3	34%	0.342	27%	0.273	S	S	.	.			trans	-80.2	3.8	175	-83.6	-6.3	0	0	0	113.1	H69 R268	H69-D140 IonicContact CD2-OD1 3.12Å; H69-D140 IonicContact CD2-OD2 3.8Å; H69-D140 IonicContact CE1-OD1 2.75Å; H69-D140 IonicContact CE1-OD2 2.92Å; H69-D140 PolarHBondContact CE1-OD2 3.49Å; H69-D140 IonicContact NE2-OD1 2.62Å; H69-D140 IonicContact NE2-OD2 3.77Å; H69-D140 PolarHBondContact NE2-OD2 3.2Å; D140-R268 IonicContact OD1-CZ 2.78Å; D140-R268 IonicContact OD1-NH1 2.75Å; D140-R268 PolarHBondContact OD1-NH1 3.35Å
141	E	64	Low	69.3	Low	37 Å²	37	42.7 Å²	42.7	17%	0.173	26%	0.257	C	S	.	.			trans	-75.8	156	-167.5	-52.9	-160.2	118.4	0	0	116.3	R66 L139 D143 R152	R66-E141 WeakPolarHBondContact CD-OE1 2.84Å; R66-E141 IonicContact CZ-OE1 3.66Å; R66-E141 IonicContact NE-OE1 2.76Å; R66-E141 PolarHBondContact NE-OE1 3.05Å; R66-E141 VanDerWaalsContact NE-OE1 3.11Å; R66-E141 VanDerWaalsContact NH1-CD 3.26Å; R66-E141 IonicContact NH1-OE1 3.47Å; R66-E141 PolarHBondContact NH1-OE1 2.83Å; L139-E141 HydrophobicContact CB-CG 4.21Å; L139-E141 PolarHBondContact O-N 3.36Å; E141-D143 VanDerWaalsContact C-N 3.33Å; E141-D143 PolarHBondContact O-N 3.25Å; E141-R152 IonicContact OE1-NH1 3.25Å; E141-R152 IonicContact OE2-NH1 3.02Å; E141-R152 PolarHBondContact OE2-NH1 2.87Å
142	A	47.1	Very low	68.7	Low	48 Å²	48	49 Å²	49	40%	0.397	28%	0.28	S	S	.	.			trans	-87	22.7	178.2	0	0	0	0	0	114.7	G144 D213	A142-G144 PolarHBondContact O-N 3.47Å; A142-D213 VanDerWaalsContact CA-OD1 3.23Å; A142-D213 WeakPolarHBondContact CA-OD1 3.43Å; A142-D213 HydrophobicContact CB-CB 4.04Å; A142-D213 WeakPolarHBondContact CB-OD2 3.16Å
143	D	42.7	Very low	68.5	Low	118 Å²	118	52 Å²	52	63%	0.631	30%	0.301	S	S	*	.			trans	-91.4	109.3	-171.1	-80.2	-15.3	0	0	0	111.4	E141	E141-D143 VanDerWaalsContact C-N 3.33Å; E141-D143 PolarHBondContact O-N 3.25Å
144	G	44.8	Very low	68.3	Low	46 Å²	46	50.3 Å²	50.3	47%	0.474	29%	0.285	S	S	.	.			trans	69.8	73.1	152.4	0	0	0	0	0	113.7	A142 Y146	A142-G144 PolarHBondContact O-N 3.47Å; G144-Y146 PolarHBondContact O-N 2.84Å
145	I	49.4	Very low	68.2	Low	75 Å²	75	52.1 Å²	52.1	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-2.9	114.5	145.2	-20.2	172	0	0	0	113.2	F210 D211	I145-F210 WeakPolarHBondContact CG2-O 3.26Å; I145-D211 VanDerWaalsContact CD1-O 3.24Å; I145-D211 WeakPolarHBondContact CD1-O 3.11Å; I145-D211 WeakPolarHBondContact CG1-O 3.05Å; I145-D211 HydrophobicContact CG2-CB 4.41Å; I145-D211 WeakPolarHBondContact CG2-O 3.35Å
146	Y	52.4	Low	68	Low	26 Å²	26	52.1 Å²	52.1	10%	0.102	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	102	0.7	160.1	-49.5	-53.2	0	0	0	121.9	G144 I209 D211 S392 P394 A395 S398 Y424	G144-Y146 PolarHBondContact O-N 2.84Å; Y146-I209 HydrophobicContact CD1-CG2 3.77Å; Y146-I209 HydrophobicContact CE1-CG2 4.06Å; Y146-D211 WeakPolarHBondContact OH-CA 3.29Å; Y146-D211 WeakPolarHBondContact OH-CB 3.4Å; Y146-D211 PolarHBondContact OH-OD1 3.33Å; Y146-S392 PolarHBondContact OH-OG 2.83Å; Y146-P394 WeakPolarHBondContact CD1-O 3.27Å; Y146-P394 HydrophobicContact CD2-CB 3.4Å; Y146-P394 VanDerWaalsContact CD2-CB 3.4Å; Y146-P394 VanDerWaalsContact CE1-C 3.48Å; Y146-P394 HydrophobicContact CE1-CB 4.22Å; Y146-P394 HydrophobicContact CE2-CB 2.94Å; Y146-P394 HydrophobicContact CE2-CG 4.07Å; Y146-P394 HydrophobicContact CG-CB 4.2Å; Y146-A395 HydrophobicContact CD1-CB 4.28Å; Y146-A395 HydrophobicContact CE1-CB 3.45Å; Y146-A395 VanDerWaalsContact CE1-CB 3.45Å; Y146-S398 WeakPolarHBondContact CB-OG 3.3Å; Y146-S398 PolarHBondContact O-OG 3.4Å; Y146-Y424 AromaticContact CD2-CD1 3.7Å; Y146-Y424 HydrophobicContact CD2-CD1 3.7Å; Y146-Y424 HydrophobicContact CD2-CE1 4.28Å; Y146-Y424 HydrophobicContact CD2-CG 4.12Å; Y146-Y424 HydrophobicContact CE2-CD1 4.39Å
147	D	52.8	Low	67.9	Low	29 Å²	29	53.4 Å²	53.4	16%	0.155	30%	0.303	C	S	.	.			trans	-151.9	118.1	-177.2	-146.3	41.6	0	0	0	117.4	D149 T150 R401 S423	D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 WeakPolarHBondContact OD2-CB 3.36Å; D147-T150 PolarHBondContact OD2-N 3.19Å; D147-R401 IonicContact OD1-CZ 3.51Å; D147-R401 IonicContact OD1-NH1 3.57Å; D147-R401 PolarHBondContact OD1-NH1 3.3Å; D147-S423 VanDerWaalsContact OD1-CB 3.28Å; D147-S423 WeakPolarHBondContact OD1-CB 3.43Å; D147-S423 WeakPolarHBondContact OD2-CB 3.35Å; D147-S423 PolarHBondContact OD2-OG 3.44Å
148	N	52.7	Low	67.7	Low	101 Å²	101	57.6 Å²	57.6	54%	0.54	33%	0.325	S	S	.	.	S	Bend	trans	-76.2	-14.4	164.6	-72.2	-12.8	0	0	0	112	P102	P102-N148 HydrophobicContact CG-CB 3.81Å
149	D	50.3	Low	67.8	Low	90 Å²	90	56.9 Å²	56.9	48%	0.481	32%	0.322	S	S	.	.	S	Bend	trans	-83.9	-27.1	-168.7	-68.2	0.6	0	0	0	113.5	D147 G151 R401	D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 WeakPolarHBondContact OD2-CB 3.36Å; D149-G151 PolarHBondContact O-N 3.49Å; D149-R401 IonicContact OD2-CZ 2.79Å; D149-R401 IonicContact OD2-NH1 3.48Å; D149-R401 PolarHBondContact OD2-NH1 3.49Å; D149-R401 IonicContact OD2-NH2 3.43Å; D149-R401 PolarHBondContact OD2-NH2 3.07Å
150	T	53.6	Low	68.1	Low	79 Å²	79	56.5 Å²	56.5	49%	0.485	32%	0.321	S	S	.	.	S	Bend	trans	-91.5	56.3	168.6	58.6	0	0	0	0	110.1	D147 R152	D147-T150 PolarHBondContact OD2-N 3.19Å; T150-R152 PolarHBondContact O-N 3.44Å
151	G	62.2	Low	69	Low	10 Å²	10	54.5 Å²	54.5	10%	0.103	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-54.1	140.1	177.5	0	0	0	0	0	111	H100 I101 D149 S153	H100-G151 PolarHBondContact ND1-O 2.83Å; I101-G151 CarbonylContact O-C 3.56Å; I101-G151 WeakPolarHBondContact O-CA 3.48Å; D149-G151 PolarHBondContact O-N 3.49Å; G151-S153 PolarHBondContact O-N 3.43Å
152	R	76.1	Confident	70.4	Confident	138 Å²	138	56.5 Å²	56.5	52%	0.521	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.8	175.2	-174.5	175.3	177.4	176.1	0.3	108.3	H100 I101 L139 E141 T150 V154	H100-R152 CarbonylContact C-O 3.57Å; H100-R152 WeakPolarHBondContact CA-O 3.34Å; I101-R152 PolarHBondContact N-O 3.12Å; I101-R152 PolarHBondContact O-N 3Å; L139-R152 HydrophobicContact CD1-CB 4.41Å; E141-R152 IonicContact OE1-NH1 3.25Å; E141-R152 IonicContact OE2-NH1 3.02Å; E141-R152 PolarHBondContact OE2-NH1 2.87Å; T150-R152 PolarHBondContact O-N 3.44Å; R152-V154 HydrophobicContact CB-CG2 4.43Å; R152-V154 HydrophobicContact CG-CG2 4.23Å; R152-V154 PolarHBondContact O-N 3.03Å
153	S	83.9	Confident	72.7	Confident	72 Å²	72	55.2 Å²	55.2	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.8	172	-166.9	0	0	0	0	108.8	R99 G151	R99-S153 CarbonylContact O-C 3.6Å; R99-S153 WeakPolarHBondContact O-CA 3.42Å; G151-S153 PolarHBondContact O-N 3.43Å
154	V	86.3	Confident	75.2	Confident	16 Å²	16	50.6 Å²	50.6	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.9	-179.3	178.9	0	0	0	0	108.4	V68 P98 R99 I101 L139 R152 L156 T159	V68-V154 HydrophobicContact CG2-CG1 3.87Å; P98-V154 WeakPolarHBondContact CA-O 3.35Å; R99-V154 PolarHBondContact N-O 3.34Å; R99-V154 PolarHBondContact O-N 3.45Å; I101-V154 HydrophobicContact CD1-CB 3.78Å; I101-V154 HydrophobicContact CD1-CG1 4.22Å; I101-V154 HydrophobicContact CD1-CG2 4Å; I101-V154 HydrophobicContact CG1-CB 4.34Å; I101-V154 HydrophobicContact CG1-CG2 4.4Å; L139-V154 HydrophobicContact CD1-CG2 4.24Å; R152-V154 HydrophobicContact CB-CG2 4.43Å; R152-V154 HydrophobicContact CG-CG2 4.23Å; R152-V154 PolarHBondContact O-N 3.03Å; V154-L156 PolarHBondContact O-N 2.86Å; V154-T159 HydrophobicContact CG1-CG2 4.01Å; V154-T159 WeakPolarHBondContact CG1-OG1 3.45Å
155	N	90	Very high	77.6	Confident	62 Å²	62	49.2 Å²	49.2	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102.5	176.3	-171.3	-12.6	0	0	0	110.5	C157 I158 T159	N155-C157 PolarHBondContact O-N 3.31Å; N155-C157 VanDerWaalsContact OD1-CB 3.27Å; N155-C157 WeakPolarHBondContact OD1-CB 3.41Å; N155-C157 PolarHBondContact OD1-N 2.89Å; N155-C157 PolarHBondContact OD1-SG 2.87Å; N155-I158 HydrophobicContact CB-CD1 4.41Å; N155-I158 HydrophobicContact CB-CG1 4.08Å; N155-I158 PolarHBondContact O-N 2.86Å; N155-T159 WeakPolarHBondContact O-CB 3.24Å; N155-T159 PolarHBondContact O-N 2.92Å; N155-T159 PolarHBondContact O-OG1 2.85Å
156	L	89.9	Confident	79.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.7	-179.1	-62	177.3	0	0	0	112.7	V68 L93 R94 G97 R99 I101 L137 V154 I158	V68-L156 HydrophobicContact CG1-CD2 4.29Å; V68-L156 HydrophobicContact CG2-CD2 4.29Å; L93-L156 HydrophobicContact CB-CD1 4.43Å; L93-L156 HydrophobicContact CD2-CD1 4.34Å; L93-L156 VanDerWaalsContact O-CB 3.29Å; L93-L156 WeakPolarHBondContact O-CB 3.44Å; R94-L156 WeakPolarHBondContact CD-O 3.24Å; R94-L156 PolarHBondContact NH1-O 3.12Å; G97-L156 WeakPolarHBondContact O-CB 3.34Å; G97-L156 PolarHBondContact O-N 2.92Å; R99-L156 HydrophobicContact CB-CD1 3.97Å; R99-L156 HydrophobicContact CB-CG 4.37Å; R99-L156 HydrophobicContact CG-CD1 3.77Å; I101-L156 HydrophobicContact CD1-CD2 4.07Å; L137-L156 HydrophobicContact CD1-CD1 3.95Å; V154-L156 PolarHBondContact O-N 2.86Å; L156-I158 PolarHBondContact O-N 3.16Å
157	C	88.4	Confident	81.8	Confident	51 Å²	51	49.7 Å²	49.7	35%	0.345	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.4	178.8	-58.6	0	0	0	0	113.2	R94 N155	R94-C157 WeakPolarHBondContact CD-O 3.44Å; R94-C157 PolarHBondContact NH1-O 2.65Å; R94-C157 PolarHBondContact O-SG 2.92Å; N155-C157 PolarHBondContact O-N 3.31Å; N155-C157 VanDerWaalsContact OD1-CB 3.27Å; N155-C157 WeakPolarHBondContact OD1-CB 3.41Å; N155-C157 PolarHBondContact OD1-N 2.89Å; N155-C157 PolarHBondContact OD1-SG 2.87Å
158	I	88.6	Confident	83.7	Confident	88 Å²	88	49.1 Å²	49.1	45%	0.451	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-15.3	-171.7	60.8	171.3	0	0	0	114.1	F61 N155 L156	F61-I158 WeakPolarHBondContact CD1-O 3.41Å; F61-I158 WeakPolarHBondContact CE1-O 3.47Å; N155-I158 HydrophobicContact CB-CD1 4.41Å; N155-I158 HydrophobicContact CB-CG1 4.08Å; N155-I158 PolarHBondContact O-N 2.86Å; L156-I158 PolarHBondContact O-N 3.16Å
159	T	89.4	Confident	85.7	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.037	25%	0.245	C	C	.	.	S	Bend	trans	-78.6	141.7	-176.8	-51.7	0	0	0	0	110.4	R66 V68 R94 V154 N155 I161	R66-T159 WeakPolarHBondContact O-CG2 3.42Å; V68-T159 HydrophobicContact CG2-CG2 3.81Å; R94-T159 VanDerWaalsContact CZ-O 3.27Å; R94-T159 PolarHBondContact NH1-O 3.17Å; R94-T159 PolarHBondContact NH2-O 2.79Å; V154-T159 HydrophobicContact CG1-CG2 4.01Å; V154-T159 WeakPolarHBondContact CG1-OG1 3.45Å; N155-T159 WeakPolarHBondContact O-CB 3.24Å; N155-T159 PolarHBondContact O-N 2.92Å; N155-T159 PolarHBondContact O-OG1 2.85Å; T159-I161 PolarHBondContact O-N 3.35Å
160	P	91.8	Very high	87.7	Confident	30 Å²	30	45.3 Å²	45.3	20%	0.195	24%	0.243	C	C	.	.			trans	-58.2	133.7	171.3	-22	32.7	0	0	0	110.6	F61 P67 V68	F61-P160 HydrophobicContact CB-CG 4.07Å; F61-P160 HydrophobicContact CD1-CG 4.1Å; F61-P160 HydrophobicContact CG-CG 4.01Å; P67-P160 CarbonylContact C-O 3.58Å; P67-P160 WeakPolarHBondContact CA-O 3.49Å; P67-P160 HydrophobicContact CB-CB 4.18Å; V68-P160 PolarHBondContact N-O 2.68Å
161	I	93.2	Very high	89.3	Confident	23 Å²	23	43 Å²	43	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.8	179.1	-56.5	175.8	0	0	0	107.5	V68 A70 L93 T159 V163	V68-I161 CarbonylContact O-C 3.52Å; V68-I161 WeakPolarHBondContact O-CA 3.38Å; A70-I161 HydrophobicContact CB-CG2 3.88Å; L93-I161 HydrophobicContact CB-CD1 3.97Å; L93-I161 HydrophobicContact CD1-CD1 4.36Å; L93-I161 HydrophobicContact CD1-CG2 4.15Å; T159-I161 PolarHBondContact O-N 3.35Å; I161-V163 HydrophobicContact CG2-CG2 3.99Å
162	L	93.6	Very high	90.6	Very high	79 Å²	79	48.8 Å²	48.8	41%	0.414	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.4	172.4	-65.2	175.5	0	0	0	108.1	P67 V68 H69 A70 H164	P67-L162 HydrophobicContact CB-CD1 3.69Å; P67-L162 HydrophobicContact CB-CG 3.87Å; P67-L162 HydrophobicContact CG-CD1 3.84Å; V68-L162 PolarHBondContact O-N 2.91Å; H69-L162 WeakPolarHBondContact CA-O 3.44Å; A70-L162 PolarHBondContact N-O 3.21Å; L162-H164 PolarHBondContact O-CD2 3.44Å; L162-H164 VanDerWaalsContact O-CD2 3.23Å; L162-H164 PolarHBondContact O-NE2 3.2Å
163	V	95.3	Very high	91.2	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.2	-177.8	-171.8	0	0	0	0	109.7	A70 V72 E86 V90 I161 I165	A70-V163 HydrophobicContact CB-CG2 4.47Å; A70-V163 CarbonylContact O-C 3.49Å; A70-V163 WeakPolarHBondContact O-CA 3.39Å; V72-V163 HydrophobicContact CG2-CG1 3.55Å; E86-V163 HydrophobicContact CG-CB 3.93Å; E86-V163 HydrophobicContact CG-CG1 4.15Å; E86-V163 HydrophobicContact CG-CG2 4.08Å; V90-V163 HydrophobicContact CG2-CG2 3.55Å; I161-V163 HydrophobicContact CG2-CG2 3.99Å; V163-I165 HydrophobicContact CG1-CD1 4.27Å; V163-I165 HydrophobicContact CG1-CG1 3.73Å
164	H	95.3	Very high	91.4	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	96.4	177.7	-54.5	-84.7	0	0	0	107.6	H69 A70 E71 V72 L162 I267 R268	H69-H164 AromaticContact CE1-NE2 3.89Å; H69-H164 AromaticContact CG-NE2 3.84Å; H69-H164 AromaticContact ND1-CD2 3.88Å; H69-H164 AromaticContact ND1-CE1 3.75Å; H69-H164 AromaticContact ND1-NE2 3.01Å; H69-H164 PolarHBondContact ND1-NE2 3.11Å; A70-H164 PolarHBondContact O-N 3.47Å; E71-H164 HydrophobicContact CG-CB 4.42Å; V72-H164 PolarHBondContact N-O 2.92Å; L162-H164 PolarHBondContact O-CD2 3.44Å; L162-H164 VanDerWaalsContact O-CD2 3.23Å; L162-H164 PolarHBondContact O-NE2 3.2Å; H164-I267 HydrophobicContact CB-CG2 4.42Å; H164-R268 PolarHBondContact ND1-O 3.41Å
165	I	95.2	Very high	91.5	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.9	-179.3	-56.5	-176	0	0	0	109	V72 V74 F82 I85 E86 V163 A270	V72-I165 HydrophobicContact CB-CG1 4.24Å; V74-I165 HydrophobicContact CG1-CG2 3.59Å; F82-I165 HydrophobicContact CB-CD1 4.2Å; F82-I165 HydrophobicContact CB-CG2 4.38Å; F82-I165 HydrophobicContact CD1-CG2 3.94Å; F82-I165 HydrophobicContact CD2-CB 4.33Å; F82-I165 HydrophobicContact CD2-CG2 3.96Å; F82-I165 HydrophobicContact CE1-CG2 4.15Å; F82-I165 HydrophobicContact CE2-CG2 4.17Å; F82-I165 HydrophobicContact CG-CB 4.45Å; F82-I165 HydrophobicContact CG-CG2 3.84Å; F82-I165 HydrophobicContact CZ-CG2 4.26Å; F82-I165 WeakPolarHBondContact O-CD1 3.43Å; I85-I165 HydrophobicContact CB-CD1 4.12Å; I85-I165 HydrophobicContact CG2-CD1 4.06Å; E86-I165 HydrophobicContact CB-CD1 3.71Å; V163-I165 HydrophobicContact CG1-CD1 4.27Å; V163-I165 HydrophobicContact CG1-CG1 3.73Å; I165-A270 VanDerWaalsContact O-CB 3.25Å; I165-A270 WeakPolarHBondContact O-CB 3.05Å
166	Y	94.9	Very high	91.6	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.2	179.8	72.1	-82.1	0	0	0	111.4	E71 V72 C73 V74 M168 P197 I267	E71-Y166 HydrophobicContact CB-CE1 4.07Å; V72-Y166 WeakPolarHBondContact O-CD1 3.3Å; V72-Y166 PolarHBondContact O-N 3.42Å; C73-Y166 WeakPolarHBondContact CA-O 3.38Å; C73-Y166 HydrophobicContact CB-CE1 4.13Å; C73-Y166 HydrophobicContact CB-CE2 4.03Å; V74-Y166 WeakPolarHBondContact CG2-O 3.11Å; V74-Y166 PolarHBondContact N-O 3.39Å; Y166-M168 HydrophobicContact CE2-CB 4.49Å; Y166-M168 HydrophobicContact CE2-CE 3.85Å; Y166-M168 HydrophobicContact CE2-SD 4.41Å; Y166-P197 HydrophobicContact CD2-CB 4.1Å; Y166-P197 HydrophobicContact CD2-CG 3.75Å; Y166-P197 HydrophobicContact CE2-CB 4.37Å; Y166-P197 HydrophobicContact CE2-CG 4.46Å; Y166-P197 HydrophobicContact CG-CG 4.31Å; Y166-I267 HydrophobicContact CD1-CB 4.33Å; Y166-I267 HydrophobicContact CD1-CG1 4.16Å; Y166-I267 HydrophobicContact CD1-CG2 3.56Å; Y166-I267 HydrophobicContact CD2-CG1 3.97Å; Y166-I267 HydrophobicContact CE1-CD1 4.33Å; Y166-I267 HydrophobicContact CE1-CG1 4.21Å; Y166-I267 HydrophobicContact CE1-CG2 3.69Å; Y166-I267 HydrophobicContact CE2-CD1 4.09Å; Y166-I267 HydrophobicContact CE2-CG1 4.02Å; Y166-I267 HydrophobicContact CG-CB 4.47Å; Y166-I267 HydrophobicContact CG-CG1 4.02Å; Y166-I267 HydrophobicContact CG-CG2 4.17Å
167	Q	93.8	Very high	91.6	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125	171.7	-174	173.2	-17.3	0	0	109	V74	V74-Q167 HydrophobicContact CG2-CB 3.75Å; V74-Q167 HydrophobicContact CG2-CG 4.21Å
168	M	93.9	Very high	91.4	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.089	30%	0.302	C	S	.	.			trans	-73.5	134	176.1	-166.8	72.4	79.4	0	0	110.2	Y166 N170 P197 A199	Y166-M168 HydrophobicContact CE2-CB 4.49Å; Y166-M168 HydrophobicContact CE2-CE 3.85Å; Y166-M168 HydrophobicContact CE2-SD 4.41Å; M168-N170 PolarHBondContact O-ND2 2.93Å; M168-P197 VanDerWaalsContact SD-C 3.6Å; M168-P197 HydrophobicContact SD-CB 3.83Å; M168-P197 VanDerWaalsContact SD-O 3.4Å; M168-A199 HydrophobicContact CG-CB 4.07Å
169	V	94.3	Very high	90.8	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.158	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-76.1	124.2	168.2	-174.7	0	0	0	0	108.3	E173 A174 L195 P197 A199	V169-E173 HydrophobicContact CG1-CB 3.73Å; V169-A174 HydrophobicContact CG1-CB 4.27Å; V169-A174 WeakPolarHBondContact O-CB 3.25Å; V169-L195 HydrophobicContact CG1-CB 4.29Å; V169-L195 HydrophobicContact CG1-CD1 4.5Å; V169-L195 HydrophobicContact CG2-CB 4.04Å; V169-P197 WeakPolarHBondContact CB-O 3.33Å; V169-P197 WeakPolarHBondContact CG2-O 3.48Å; V169-P197 PolarHBondContact N-O 2.72Å; V169-A199 VanDerWaalsContact O-CB 3.31Å; V169-A199 WeakPolarHBondContact O-CB 3.48Å; V169-A199 PolarHBondContact O-N 3.01Å
170	N	91.2	Very high	90	Very high	84 Å²	84	58.9 Å²	58.9	45%	0.449	32%	0.315	S	S	.	.			trans	-127.8	167.1	-174.6	-61.4	-64.9	0	0	0	111.1	M168 A199	M168-N170 PolarHBondContact O-ND2 2.93Å; N170-A199 WeakPolarHBondContact OD1-CB 3.42Å
171	G	88.8	Confident	88.8	Confident	30 Å²	30	58.4 Å²	58.4	31%	0.309	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	65.8	-150.2	177.4	0	0	0	0	0	112.7	E173 A174	G171-E173 PolarHBondContact O-N 3.3Å; G171-E173 VanDerWaalsContact O-N 3.15Å; G171-A174 WeakPolarHBondContact O-CB 3.41Å; G171-A174 PolarHBondContact O-N 3.02Å
172	D	88.4	Confident	87.6	Confident	132 Å²	132	65.1 Å²	65.1	71%	0.706	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-59.1	-29.1	-175.6	-69.4	-24.9	0	0	0	113.6	A174 L175	D172-A174 VanDerWaalsContact C-N 3.26Å; D172-A174 PolarHBondContact O-N 3.16Å; D172-L175 WeakPolarHBondContact O-CB 3.47Å; D172-L175 PolarHBondContact O-N 3.46Å
173	E	88.8	Confident	86	Confident	140 Å²	140	64.3 Å²	64.3	65%	0.654	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21.6	177.6	-65.2	-175	174.4	0	0	113.2	V169 G171 L175	V169-E173 HydrophobicContact CG1-CB 3.73Å; G171-E173 PolarHBondContact O-N 3.3Å; G171-E173 VanDerWaalsContact O-N 3.15Å; E173-L175 VanDerWaalsContact C-N 3.28Å
174	A	87.9	Confident	84.9	Confident	2 Å²	2	67.3 Å²	67.3	2%	0.017	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-77.6	-17.8	176.9	0	0	0	0	0	112.4	V169 G171 D172 S198 A199 E200	V169-A174 HydrophobicContact CG1-CB 4.27Å; V169-A174 WeakPolarHBondContact O-CB 3.25Å; G171-A174 WeakPolarHBondContact O-CB 3.41Å; G171-A174 PolarHBondContact O-N 3.02Å; D172-A174 VanDerWaalsContact C-N 3.26Å; D172-A174 PolarHBondContact O-N 3.16Å; A174-S198 PolarHBondContact O-OG 3.43Å; A174-A199 HydrophobicContact CB-CB 4.42Å; A174-E200 HydrophobicContact CB-CG 4.37Å
175	L	89.5	Confident	83.5	Confident	82 Å²	82	72.2 Å²	72.2	43%	0.429	41%	0.407	S	S	.	.	S	Bend	trans	-70	145.1	-179.8	-63.5	173.2	0	0	0	111	D172 E173 V177	D172-L175 WeakPolarHBondContact O-CB 3.47Å; D172-L175 PolarHBondContact O-N 3.46Å; E173-L175 VanDerWaalsContact C-N 3.28Å; L175-V177 PolarHBondContact O-N 3.04Å
176	P	90.4	Very high	81.9	Confident	60 Å²	60	77.8 Å²	77.8	39%	0.39	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.9	175.4	18.6	-27	0	0	0	111.9	T193 W194	P176-T193 WeakPolarHBondContact CA-O 3.49Å; P176-W194 HydrophobicContact CB-CD2 4.21Å; P176-W194 HydrophobicContact CB-CZ2 3.82Å; P176-W194 HydrophobicContact CG-CZ2 4.36Å
177	V	90.3	Very high	80.6	Confident	96 Å²	96	80.4 Å²	80.4	58%	0.582	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.2	168.1	-178.3	0	0	0	0	108.6	L175 T192 T193	L175-V177 PolarHBondContact O-N 3.04Å; V177-T192 CarbonylContact O-C 3.2Å; V177-T192 WeakPolarHBondContact O-CA 3.43Å; V177-T193 PolarHBondContact N-O 2.85Å; V177-T193 PolarHBondContact O-N 2.79Å
178	Q	84.7	Confident	79.3	Confident	114 Å²	114	76.8 Å²	76.8	53%	0.533	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.8	171.2	-66.2	-170.9	8.5	0	0	109.3	L180 N189 T192	Q178-L180 PolarHBondContact O-N 2.8Å; Q178-N189 VanDerWaalsContact CD-ND2 3.32Å; Q178-N189 PolarHBondContact OE1-ND2 2.85Å; Q178-T192 HydrophobicContact CG-CG2 4.22Å
179	E	75.5	Confident	78.2	Confident	53 Å²	53	77.7 Å²	77.7	25%	0.248	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	100.5	171.9	-74.9	-165.5	-178.1	0	0	109.3	N189 G190 G191 T193	E179-N189 WeakPolarHBondContact O-CA 3.38Å; E179-G190 PolarHBondContact O-N 3.24Å; E179-G191 PolarHBondContact N-O 2.82Å; E179-T193 PolarHBondContact OE1-OG1 3.01Å; E179-T193 VanDerWaalsContact OE1-OG1 3.1Å
180	L	72.1	Confident	77.1	Confident	99 Å²	99	76.6 Å²	76.6	52%	0.518	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.6	175.1	-68.1	176	0	0	0	109.2	Q178 N189	Q178-L180 PolarHBondContact O-N 2.8Å; L180-N189 HydrophobicContact CD2-CB 4.47Å
181	I	67.6	Low	76.8	Confident	20 Å²	20	72.9 Å²	72.9	10%	0.103	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112	172.7	-52.6	175.6	0	0	0	107.2	F183 I188 W290 L297 M301	I181-F183 PolarHBondContact O-N 3.03Å; I181-I188 PolarHBondContact N-O 3.37Å; I181-I188 PolarHBondContact O-N 3.43Å; I181-W290 HydrophobicContact CB-CH2 4.25Å; I181-W290 HydrophobicContact CD1-CH2 3.91Å; I181-L297 HydrophobicContact CG2-CD2 3.48Å; I181-L297 VanDerWaalsContact CG2-CD2 3.48Å; I181-M301 HydrophobicContact CD1-CB 3.67Å; I181-M301 HydrophobicContact CD1-CG 4.09Å; I181-M301 HydrophobicContact CD1-SD 4.42Å
182	E	67.8	Low	77	Confident	163 Å²	163	72.8 Å²	72.8	76%	0.762	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.7	176	-67.7	-171.1	166.3	0	0	111.1
183	F	60.4	Low	77.3	Confident	62 Å²	62	67.1 Å²	67.1	27%	0.272	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	99.4	176.7	-175.8	-104.3	0	0	0	110.8	I181 S185 E186 I188 E293 L297	I181-F183 PolarHBondContact O-N 3.03Å; F183-S185 PolarHBondContact O-N 2.92Å; F183-E186 CarbonylContact C-O 3.57Å; F183-E186 PolarHBondContact N-O 2.82Å; F183-E186 PolarHBondContact O-N 2.9Å; F183-I188 HydrophobicContact CB-CD1 4.48Å; F183-E293 HydrophobicContact CE2-CB 4.43Å; F183-E293 HydrophobicContact CE2-CG 4.27Å; F183-E293 WeakPolarHBondContact CE2-OE2 3.4Å; F183-E293 HydrophobicContact CZ-CB 4.25Å; F183-E293 HydrophobicContact CZ-CG 3.91Å; F183-E293 VanDerWaalsContact CZ-OE1 3.29Å; F183-E293 WeakPolarHBondContact CZ-OE1 3.2Å; F183-E293 WeakPolarHBondContact CZ-OE2 3.5Å; F183-L297 HydrophobicContact CB-CD2 4.15Å; F183-L297 HydrophobicContact CD2-CD1 4.07Å; F183-L297 HydrophobicContact CD2-CD2 4.01Å; F183-L297 HydrophobicContact CG-CD1 4.22Å; F183-L297 HydrophobicContact CG-CD2 4.35Å
184	G	71.3	Confident	77.6	Confident	84 Å²	84	61.5 Å²	61.5	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-112.5	-176.3	0	0	0	0	0	110.5
185	S	66.7	Low	78	Confident	124 Å²	124	64.6 Å²	64.6	87%	0.867	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.4	176.5	55.9	0	0	0	0	114.3	F183	F183-S185 PolarHBondContact O-N 2.92Å
186	E	62.7	Low	78.4	Confident	134 Å²	134	61.1 Å²	61.1	63%	0.626	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.8	-176.6	-66.8	-172.6	169.8	0	0	111	F183	F183-E186 CarbonylContact C-O 3.57Å; F183-E186 PolarHBondContact N-O 2.82Å; F183-E186 PolarHBondContact O-N 2.9Å
187	S	66	Low	78.7	Confident	73 Å²	73	58.8 Å²	58.8	51%	0.51	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.1	170.9	53.9	0	0	0	0	109.2
188	I	66.6	Low	78.9	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.087	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.4	-176.5	-49.4	169.1	0	0	0	108.3	I181 F183 G190 K289 W290	I181-I188 PolarHBondContact N-O 3.37Å; I181-I188 PolarHBondContact O-N 3.43Å; F183-I188 HydrophobicContact CB-CD1 4.48Å; I188-G190 PolarHBondContact O-N 3.38Å; I188-G190 VanDerWaalsContact O-N 3.15Å; I188-K289 HydrophobicContact CG2-CB 4.24Å; I188-K289 HydrophobicContact CG2-CD 3.79Å; I188-W290 HydrophobicContact CB-CH2 3.43Å; I188-W290 VanDerWaalsContact CB-CH2 3.43Å; I188-W290 HydrophobicContact CB-CZ2 3.72Å; I188-W290 HydrophobicContact CB-CZ3 3.94Å; I188-W290 HydrophobicContact CD1-CD2 4.41Å; I188-W290 HydrophobicContact CD1-CE3 3.79Å; I188-W290 HydrophobicContact CD1-CH2 3.92Å; I188-W290 HydrophobicContact CD1-CZ3 3.46Å; I188-W290 VanDerWaalsContact CD1-CZ3 3.46Å; I188-W290 HydrophobicContact CG1-CH2 4.26Å; I188-W290 HydrophobicContact CG1-CZ3 4.28Å; I188-W290 HydrophobicContact CG2-CD2 4.29Å; I188-W290 HydrophobicContact CG2-CE3 4.5Å; I188-W290 HydrophobicContact CG2-CH2 3.45Å; I188-W290 VanDerWaalsContact CG2-CH2 3.45Å; I188-W290 HydrophobicContact CG2-CZ2 3.15Å; I188-W290 HydrophobicContact CG2-CZ3 4.07Å
189	N	71.7	Confident	79.3	Confident	36 Å²	36	50.5 Å²	50.5	19%	0.193	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	110.7	175.1	-175.3	-7.3	0	0	0	109.7	Q178 E179 L180 G191	Q178-N189 VanDerWaalsContact CD-ND2 3.32Å; Q178-N189 PolarHBondContact OE1-ND2 2.85Å; E179-N189 WeakPolarHBondContact O-CA 3.38Å; L180-N189 HydrophobicContact CD2-CB 4.47Å; N189-G191 PolarHBondContact OD1-N 2.94Å; N189-G191 PolarHBondContact OD1-O 3.26Å
190	G	71.6	Confident	80.1	Confident	4 Å²	4	54 Å²	54	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-27.2	176.5	0	0	0	0	0	113.2	E179 I188 M301	E179-G190 PolarHBondContact O-N 3.24Å; I188-G190 PolarHBondContact O-N 3.38Å; I188-G190 VanDerWaalsContact O-N 3.15Å; G190-M301 VanDerWaalsContact C-SD 3.6Å
191	G	85.1	Confident	81.1	Confident	5 Å²	5	49.7 Å²	49.7	5%	0.052	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	176.5	-176.9	0	0	0	0	0	112.1	E179 N189 E280	E179-G191 PolarHBondContact N-O 2.82Å; N189-G191 PolarHBondContact OD1-N 2.94Å; N189-G191 PolarHBondContact OD1-O 3.26Å; G191-E280 CarbonylContact C-O 3.33Å; G191-E280 WeakPolarHBondContact CA-O 3.34Å
192	T	92	Very high	82.1	Confident	28 Å²	28	52.4 Å²	52.4	17%	0.172	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.8	176.1	42.7	0	0	0	0	109.4	V177 Q178 W194 E280	V177-T192 CarbonylContact O-C 3.2Å; V177-T192 WeakPolarHBondContact O-CA 3.43Å; Q178-T192 HydrophobicContact CG-CG2 4.22Å; T192-W194 WeakPolarHBondContact O-CZ3 3.32Å; T192-W194 WeakPolarHBondContact OG1-CH2 3.38Å; T192-W194 VanDerWaalsContact OG1-CZ3 3.26Å; T192-W194 WeakPolarHBondContact OG1-CZ3 3.25Å; T192-E280 PolarHBondContact N-O 2.79Å; T192-E280 PolarHBondContact O-N 3.2Å
193	T	94.1	Very high	83.2	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.08	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.7	-178	-60.1	0	0	0	0	109.9	P176 V177 E179 Q277 L278 I279	P176-T193 WeakPolarHBondContact CA-O 3.49Å; V177-T193 PolarHBondContact N-O 2.85Å; V177-T193 PolarHBondContact O-N 2.79Å; E179-T193 PolarHBondContact OE1-OG1 3.01Å; E179-T193 VanDerWaalsContact OE1-OG1 3.1Å; T193-Q277 HydrophobicContact CG2-CB 4.47Å; T193-Q277 HydrophobicContact CG2-CG 4.46Å; T193-L278 CarbonylContact C-O 3.55Å; T193-L278 VanDerWaalsContact CA-O 3.3Å; T193-L278 WeakPolarHBondContact CA-O 3.45Å; T193-I279 HydrophobicContact CG2-CG1 4.07Å
194	W	96	Very high	84.7	Confident	23 Å²	23	45.3 Å²	45.3	9%	0.087	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.8	171.6	-63.3	-100.1	0	0	0	109.5	P176 T192 M201 Q277 L278 E280	P176-W194 HydrophobicContact CB-CD2 4.21Å; P176-W194 HydrophobicContact CB-CZ2 3.82Å; P176-W194 HydrophobicContact CG-CZ2 4.36Å; T192-W194 WeakPolarHBondContact O-CZ3 3.32Å; T192-W194 WeakPolarHBondContact OG1-CH2 3.38Å; T192-W194 VanDerWaalsContact OG1-CZ3 3.26Å; T192-W194 WeakPolarHBondContact OG1-CZ3 3.25Å; W194-M201 HydrophobicContact CD2-CE 4.13Å; W194-M201 HydrophobicContact CG-CE 4.15Å; W194-Q277 CarbonylContact O-C 3.56Å; W194-Q277 VanDerWaalsContact O-CA 3.27Å; W194-Q277 WeakPolarHBondContact O-CA 3.43Å; W194-L278 HydrophobicContact CB-CB 4.41Å; W194-L278 HydrophobicContact CD2-CD2 4.29Å; W194-L278 HydrophobicContact CE3-CB 4.26Å; W194-L278 HydrophobicContact CE3-CD2 3.68Å; W194-L278 HydrophobicContact CE3-CG 3.94Å; W194-L278 HydrophobicContact CZ3-CD2 3.99Å; W194-L278 HydrophobicContact CZ3-CG 4.33Å; W194-L278 PolarHBondContact N-O 3.18Å; W194-L278 PolarHBondContact O-N 2.75Å; W194-E280 HydrophobicContact CH2-CB 3.9Å; W194-E280 VanDerWaalsContact CH2-OE2 3.28Å; W194-E280 WeakPolarHBondContact CH2-OE2 3.31Å; W194-E280 HydrophobicContact CZ3-CB 3.44Å; W194-E280 VanDerWaalsContact CZ3-CB 3.44Å
195	L	96.7	Very high	85.8	Confident	66 Å²	66	42.6 Å²	42.6	35%	0.346	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.5	162.7	-64.2	169.7	0	0	0	109.2	V169 S198 Q277	V169-L195 HydrophobicContact CG1-CB 4.29Å; V169-L195 HydrophobicContact CG1-CD1 4.5Å; V169-L195 HydrophobicContact CG2-CB 4.04Å; L195-S198 WeakPolarHBondContact O-CB 3.27Å; L195-Q277 HydrophobicContact CD2-CG 3.87Å
196	L	97.4	Very high	86.9	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.3	-178.8	-60.5	176.4	0	0	0	110.9	M201 A262 N263 A266 A276 L278	L196-M201 HydrophobicContact CD2-SD 3.92Å; L196-A262 HydrophobicContact CD1-CB 3.91Å; L196-N263 HydrophobicContact CD2-CB 4.26Å; L196-A266 HydrophobicContact CB-CB 3.6Å; L196-A266 HydrophobicContact CD1-CB 4.24Å; L196-A276 HydrophobicContact CB-CB 3.95Å; L196-A276 HydrophobicContact CD1-CB 4.5Å; L196-A276 PolarHBondContact N-O 2.89Å; L196-L278 HydrophobicContact CD1-CB 3.99Å; L196-L278 HydrophobicContact CD2-CB 4.37Å; L196-L278 HydrophobicContact CG-CB 4.31Å
197	P	97	Very high	88.2	Confident	11 Å²	11	35.3 Å²	35.3	7%	0.071	21%	0.211	C	C	.	.	S	Bend	cis	-73.1	133.2	-4.1	-18.2	34.3	0	0	0	112.4	Y166 M168 V169 N263 A266 I267	Y166-P197 HydrophobicContact CD2-CB 4.1Å; Y166-P197 HydrophobicContact CD2-CG 3.75Å; Y166-P197 HydrophobicContact CE2-CB 4.37Å; Y166-P197 HydrophobicContact CE2-CG 4.46Å; Y166-P197 HydrophobicContact CG-CG 4.31Å; M168-P197 VanDerWaalsContact SD-C 3.6Å; M168-P197 HydrophobicContact SD-CB 3.83Å; M168-P197 VanDerWaalsContact SD-O 3.4Å; V169-P197 WeakPolarHBondContact CB-O 3.33Å; V169-P197 WeakPolarHBondContact CG2-O 3.48Å; V169-P197 PolarHBondContact N-O 2.72Å; P197-N263 WeakPolarHBondContact CA-OD1 3.4Å; P197-A266 HydrophobicContact CG-CB 4.1Å; P197-I267 HydrophobicContact CB-CD1 4.29Å; P197-I267 HydrophobicContact CB-CG1 3.8Å; P197-I267 HydrophobicContact CG-CG1 3.56Å
198	S	95.2	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-101	136.7	-176.7	176.6	0	0	0	0	112.1	A174 L195 E200 M201 S202 N263	A174-S198 PolarHBondContact O-OG 3.43Å; L195-S198 WeakPolarHBondContact O-CB 3.27Å; S198-E200 PolarHBondContact O-N 3.38Å; S198-E200 WeakPolarHBondContact OG-CB 3.49Å; S198-E200 PolarHBondContact OG-N 3.25Å; S198-M201 PolarHBondContact O-N 2.98Å; S198-S202 PolarHBondContact O-N 3.42Å; S198-N263 PolarHBondContact N-OD1 2.92Å
199	A	92.7	Very high	90.7	Very high	35 Å²	35	33.4 Å²	33.4	29%	0.289	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58.3	-33.4	171.8	0	0	0	0	0	113	M168 V169 N170 A174 M201 S202	M168-A199 HydrophobicContact CG-CB 4.07Å; V169-A199 VanDerWaalsContact O-CB 3.31Å; V169-A199 WeakPolarHBondContact O-CB 3.48Å; V169-A199 PolarHBondContact O-N 3.01Å; N170-A199 WeakPolarHBondContact OD1-CB 3.42Å; A174-A199 HydrophobicContact CB-CB 4.42Å; A199-M201 PolarHBondContact O-N 3.02Å; A199-S202 WeakPolarHBondContact O-CB 3.45Å; A199-S202 PolarHBondContact O-N 3.04Å
200	E	91.6	Very high	91.6	Very high	127 Å²	127	33.2 Å²	33.2	59%	0.593	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-62.2	-23.7	175.6	-70.8	-67.1	128.4	0	0	112.6	A174 S198	A174-E200 HydrophobicContact CB-CG 4.37Å; S198-E200 PolarHBondContact O-N 3.38Å; S198-E200 WeakPolarHBondContact OG-CB 3.49Å; S198-E200 PolarHBondContact OG-N 3.25Å
201	M	93.2	Very high	92	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.039	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-102.1	2.3	178.5	-60.9	-163.7	167.5	0	0	113.1	W194 L196 S198 A199 L204 R259 N263 L278	W194-M201 HydrophobicContact CD2-CE 4.13Å; W194-M201 HydrophobicContact CG-CE 4.15Å; L196-M201 HydrophobicContact CD2-SD 3.92Å; S198-M201 PolarHBondContact O-N 2.98Å; A199-M201 PolarHBondContact O-N 3.02Å; M201-L204 WeakPolarHBondContact O-CB 3.25Å; M201-L204 PolarHBondContact O-N 3.09Å; M201-R259 HydrophobicContact CE-CB 3.65Å; M201-R259 HydrophobicContact CE-CG 3.74Å; M201-R259 HydrophobicContact SD-CB 3.98Å; M201-N263 HydrophobicContact CB-CB 4.01Å; M201-N263 HydrophobicContact SD-CB 4.12Å; M201-L278 HydrophobicContact CE-CD2 3.47Å; M201-L278 VanDerWaalsContact CE-CD2 3.47Å; M201-L278 HydrophobicContact SD-CD2 4.39Å
202	S	89.6	Confident	91.8	Very high	77 Å²	77	38.9 Å²	38.9	54%	0.538	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	135.4	178.5	-170.1	0	0	0	0	111	S198 A199 L204	S198-S202 PolarHBondContact O-N 3.42Å; A199-S202 WeakPolarHBondContact O-CB 3.45Å; A199-S202 PolarHBondContact O-N 3.04Å; S202-L204 PolarHBondContact O-N 3.42Å; S202-L204 VanDerWaalsContact O-N 3.13Å
203	G	89.1	Confident	91.4	Very high	38 Å²	38	39.9 Å²	39.9	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-7.1	-177.5	0	0	0	0	0	115.1	W205 E206 S207	G203-W205 VanDerWaalsContact C-N 3.31Å; G203-W205 PolarHBondContact O-N 3.46Å; G203-E206 WeakPolarHBondContact CA-OE2 3.13Å; G203-E206 PolarHBondContact O-N 2.86Å; G203-S207 WeakPolarHBondContact O-CB 3.02Å; G203-S207 PolarHBondContact O-N 2.93Å
204	L	93.6	Very high	91.2	Very high	39 Å²	39	40.2 Å²	40.2	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-39.9	-178.5	-173.9	63.4	0	0	0	111.2	M201 S202 E206 S207 L208 S256 R259 A260	M201-L204 WeakPolarHBondContact O-CB 3.25Å; M201-L204 PolarHBondContact O-N 3.09Å; S202-L204 PolarHBondContact O-N 3.42Å; S202-L204 VanDerWaalsContact O-N 3.13Å; L204-E206 PolarHBondContact O-N 3.49Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 PolarHBondContact O-OG 2.87Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.25Å; L204-S256 WeakPolarHBondContact CD2-O 3.44Å; L204-R259 HydrophobicContact CD2-CB 3.91Å; L204-A260 HydrophobicContact CB-CB 4.36Å; L204-A260 HydrophobicContact CD2-CB 4.08Å; L204-A260 HydrophobicContact CG-CB 3.98Å
205	W	93.4	Very high	91	Very high	27 Å²	27	41.2 Å²	41.2	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-44	178.2	-179.9	-97.4	0	0	0	112.7	G203 L208 K215 L219 L257 A260 L261 K264	G203-W205 VanDerWaalsContact C-N 3.31Å; G203-W205 PolarHBondContact O-N 3.46Å; W205-L208 PolarHBondContact O-N 2.91Å; W205-K215 HydrophobicContact CD2-CD 4.29Å; W205-K215 HydrophobicContact CH2-CB 3.68Å; W205-K215 HydrophobicContact CH2-CG 4.38Å; W205-K215 VanDerWaalsContact CH2-O 3.31Å; W205-K215 WeakPolarHBondContact CH2-O 3.19Å; W205-K215 HydrophobicContact CZ2-CB 3.54Å; W205-K215 HydrophobicContact CZ2-CD 4.37Å; W205-K215 HydrophobicContact CZ2-CG 4.39Å; W205-K215 HydrophobicContact CZ3-CB 4.4Å; W205-K215 PolarHBondContact O-NZ 3.38Å; W205-L219 HydrophobicContact CH2-CB 4.02Å; W205-L219 HydrophobicContact CH2-CD2 4.42Å; W205-L219 HydrophobicContact CZ2-CB 4.47Å; W205-L219 HydrophobicContact CZ2-CD2 4.23Å; W205-L257 HydrophobicContact CZ3-CD1 4.49Å; W205-A260 HydrophobicContact CB-CB 4.25Å; W205-A260 HydrophobicContact CE3-CB 3.91Å; W205-L261 HydrophobicContact CH2-CD1 4.38Å; W205-L261 HydrophobicContact CZ3-CB 4.23Å; W205-L261 HydrophobicContact CZ3-CD1 4.17Å; W205-K264 HydrophobicContact CD2-CB 4.24Å; W205-K264 HydrophobicContact CD2-CD 4.38Å; W205-K264 HydrophobicContact CD2-CG 4.06Å; W205-K264 HydrophobicContact CE3-CB 3.99Å; W205-K264 HydrophobicContact CE3-CG 4.27Å; W205-K264 HydrophobicContact CG-CD 4.26Å; W205-K264 HydrophobicContact CG-CG 4.46Å; W205-K264 HydrophobicContact CZ2-CG 4.33Å; W205-K264 HydrophobicContact CZ3-CB 4.24Å
206	E	89.1	Confident	90.7	Very high	67 Å²	67	39.6 Å²	39.6	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-72.6	-32.6	179.9	-64	70.1	-152.3	0	0	111	G203 L204 L208 K264	G203-E206 WeakPolarHBondContact CA-OE2 3.13Å; G203-E206 PolarHBondContact O-N 2.86Å; L204-E206 PolarHBondContact O-N 3.49Å; E206-L208 VanDerWaalsContact C-N 3.25Å; E206-L208 PolarHBondContact O-N 3.42Å; E206-K264 IonicContact OE1-NZ 2.8Å; E206-K264 PolarHBondContact OE1-NZ 3.26Å
207	S	91.1	Very high	90.4	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-67.4	-23.5	177.5	83.1	0	0	0	0	113.6	G203 L204 I209 R460	G203-S207 WeakPolarHBondContact O-CB 3.02Å; G203-S207 PolarHBondContact O-N 2.93Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 PolarHBondContact O-OG 2.87Å; S207-I209 PolarHBondContact O-N 3.3Å; S207-R460 PolarHBondContact O-NH2 3.3Å
208	L	93.1	Very high	90.3	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	25%	0.247	C	C	.	.			trans	-86.1	116.5	-179.1	-65.7	170.3	0	0	0	110.2	L204 W205 E206 F210 K215 L257 A260	L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.25Å; W205-L208 PolarHBondContact O-N 2.91Å; E206-L208 VanDerWaalsContact C-N 3.25Å; E206-L208 PolarHBondContact O-N 3.42Å; L208-F210 HydrophobicContact CB-CD2 4.47Å; L208-F210 HydrophobicContact CB-CE2 3.7Å; L208-F210 HydrophobicContact CB-CZ 4.22Å; L208-K215 HydrophobicContact CB-CD 4.44Å; L208-K215 PolarHBondContact O-NZ 2.98Å; L208-L257 VanDerWaalsContact CD1-CA 3.49Å; L208-L257 HydrophobicContact CD1-CB 3.99Å; L208-L257 HydrophobicContact CD1-CD1 4.15Å; L208-A260 HydrophobicContact CD1-CB 3.92Å
209	I	91.9	Very high	90.3	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.159	25%	0.248	C	C	.	.			trans	-112.5	121.7	-176.8	-60.5	167.4	0	0	0	108	Y146 S207 A395 I399 T402	Y146-I209 HydrophobicContact CD1-CG2 3.77Å; Y146-I209 HydrophobicContact CE1-CG2 4.06Å; S207-I209 PolarHBondContact O-N 3.3Å; I209-A395 HydrophobicContact CG2-CB 4.14Å; I209-I399 HydrophobicContact CB-CG1 4.2Å; I209-I399 HydrophobicContact CD1-CG1 3.86Å; I209-T402 HydrophobicContact CD1-CG2 4.17Å
210	F	90.7	Very high	90.3	Very high	33 Å²	33	47.3 Å²	47.3	15%	0.145	26%	0.26	C	S	.	.			trans	-129.8	158.8	178.5	-60.1	-72.7	0	0	0	110.5	I145 L208 T212 I214 K215 L257 I388	I145-F210 WeakPolarHBondContact CG2-O 3.26Å; L208-F210 HydrophobicContact CB-CD2 4.47Å; L208-F210 HydrophobicContact CB-CE2 3.7Å; L208-F210 HydrophobicContact CB-CZ 4.22Å; F210-T212 VanDerWaalsContact C-N 3.3Å; F210-I214 HydrophobicContact CB-CD1 4.39Å; F210-K215 HydrophobicContact CD2-CD 4.18Å; F210-K215 HydrophobicContact CD2-CG 3.84Å; F210-K215 HydrophobicContact CE2-CD 4.36Å; F210-K215 HydrophobicContact CE2-CG 4.14Å; F210-L257 HydrophobicContact CE2-CD1 3.98Å; F210-L257 HydrophobicContact CE2-CD2 3.86Å; F210-L257 HydrophobicContact CE2-CG 4.38Å; F210-L257 HydrophobicContact CZ-CB 4.38Å; F210-L257 HydrophobicContact CZ-CD2 3.84Å; F210-L257 HydrophobicContact CZ-CG 4.49Å; F210-I388 HydrophobicContact CD1-CG2 4.35Å; F210-I388 HydrophobicContact CE1-CG2 3.69Å
211	D	80.5	Confident	90.4	Very high	46 Å²	46	43.7 Å²	43.7	25%	0.246	24%	0.241	C	C	.	.	S	Bend	trans	-79.2	-15.8	-175.5	-53.3	-30.7	0	0	0	113.9	I145 Y146 S392 A395	I145-D211 VanDerWaalsContact CD1-O 3.24Å; I145-D211 WeakPolarHBondContact CD1-O 3.11Å; I145-D211 WeakPolarHBondContact CG1-O 3.05Å; I145-D211 HydrophobicContact CG2-CB 4.41Å; I145-D211 WeakPolarHBondContact CG2-O 3.35Å; Y146-D211 WeakPolarHBondContact OH-CA 3.29Å; Y146-D211 WeakPolarHBondContact OH-CB 3.4Å; Y146-D211 PolarHBondContact OH-OD1 3.33Å; D211-S392 VanDerWaalsContact CG-CB 3.49Å; D211-S392 WeakPolarHBondContact OD1-CB 3.28Å; D211-S392 PolarHBondContact OD1-N 3.37Å; D211-S392 PolarHBondContact OD1-OG 2.98Å; D211-S392 WeakPolarHBondContact OD2-CB 3.25Å; D211-S392 PolarHBondContact OD2-N 2.82Å; D211-S392 VanDerWaalsContact OD2-N 3.11Å; D211-S392 PolarHBondContact OD2-OG 3.47Å; D211-A395 WeakPolarHBondContact OD1-CB 3.37Å
212	T	79.3	Confident	90.6	Very high	82 Å²	82	43.3 Å²	43.3	50%	0.503	24%	0.239	S	C	.	.	S	Bend	trans	-131	164.1	-173.8	43.5	0	0	0	0	108.3	F210 I214	F210-T212 VanDerWaalsContact C-N 3.3Å; T212-I214 PolarHBondContact O-N 2.92Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.27Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.23Å
213	D	84.5	Confident	90.9	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	34.2	-178.3	-46.6	-60.4	0	0	0	112.8	A142 K215 S216 N217	A142-D213 VanDerWaalsContact CA-OD1 3.23Å; A142-D213 WeakPolarHBondContact CA-OD1 3.43Å; A142-D213 HydrophobicContact CB-CB 4.04Å; A142-D213 WeakPolarHBondContact CB-OD2 3.16Å; D213-K215 PolarHBondContact O-N 2.85Å; D213-S216 PolarHBondContact O-N 3.15Å; D213-N217 VanDerWaalsContact O-CB 3.27Å; D213-N217 WeakPolarHBondContact O-CB 3.24Å; D213-N217 PolarHBondContact O-N 3.4Å; D213-N217 PolarHBondContact O-ND2 3.05Å
214	I	90.2	Very high	91.1	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-48.4	-45.1	176.2	-76	165.9	0	0	0	110.6	F210 T212 L218 L257 L386 I388	F210-I214 HydrophobicContact CB-CD1 4.39Å; T212-I214 PolarHBondContact O-N 2.92Å; T212-I214 WeakPolarHBondContact OG1-CD1 3.27Å; T212-I214 WeakPolarHBondContact OG1-CG1 3.23Å; I214-L218 HydrophobicContact CG2-CD1 3.75Å; I214-L218 HydrophobicContact CG2-CG 4.34Å; I214-L218 VanDerWaalsContact O-CB 3.24Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3.46Å; I214-L257 HydrophobicContact CG2-CD2 3.85Å; I214-L386 HydrophobicContact CB-CD2 4.26Å; I214-L386 HydrophobicContact CD1-CD2 4.44Å; I214-L386 HydrophobicContact CG1-CD1 4.4Å; I214-L386 HydrophobicContact CG1-CD2 3.99Å; I214-L386 HydrophobicContact CG2-CD2 3.48Å; I214-L386 VanDerWaalsContact CG2-CD2 3.48Å; I214-I388 HydrophobicContact CD1-CD1 3.98Å; I214-I388 HydrophobicContact CG2-CD1 4.08Å
215	K	91.9	Very high	91.2	Very high	45 Å²	45	41 Å²	41	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-56	-178.8	-66.9	-161.7	-56.4	-170.4	0	111.1	W205 L208 F210 D213 N217 L218 L219 L257	W205-K215 HydrophobicContact CD2-CD 4.29Å; W205-K215 HydrophobicContact CH2-CB 3.68Å; W205-K215 HydrophobicContact CH2-CG 4.38Å; W205-K215 VanDerWaalsContact CH2-O 3.31Å; W205-K215 WeakPolarHBondContact CH2-O 3.19Å; W205-K215 HydrophobicContact CZ2-CB 3.54Å; W205-K215 HydrophobicContact CZ2-CD 4.37Å; W205-K215 HydrophobicContact CZ2-CG 4.39Å; W205-K215 HydrophobicContact CZ3-CB 4.4Å; W205-K215 PolarHBondContact O-NZ 3.38Å; L208-K215 HydrophobicContact CB-CD 4.44Å; L208-K215 PolarHBondContact O-NZ 2.98Å; F210-K215 HydrophobicContact CD2-CD 4.18Å; F210-K215 HydrophobicContact CD2-CG 3.84Å; F210-K215 HydrophobicContact CE2-CD 4.36Å; F210-K215 HydrophobicContact CE2-CG 4.14Å; D213-K215 PolarHBondContact O-N 2.85Å; K215-N217 PolarHBondContact O-N 3.48Å; K215-L218 PolarHBondContact O-N 2.85Å; K215-L219 WeakPolarHBondContact O-CB 3.37Å; K215-L219 PolarHBondContact O-N 3.07Å; K215-L257 HydrophobicContact CG-CD1 4.14Å
216	S	89.4	Confident	91.3	Very high	32 Å²	32	39.8 Å²	39.8	22%	0.224	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-43.4	-179.5	-50.9	0	0	0	0	111.6	D213 L218 L219 Q220	D213-S216 PolarHBondContact O-N 3.15Å; S216-L218 PolarHBondContact O-N 3.41Å; S216-L219 PolarHBondContact O-N 3.24Å; S216-Q220 VanDerWaalsContact O-CB 3.3Å; S216-Q220 WeakPolarHBondContact O-CB 3.32Å; S216-Q220 PolarHBondContact O-N 2.89Å
217	N	91.5	Very high	91.5	Very high	92 Å²	92	40.6 Å²	40.6	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-42.4	178.3	-67.9	-22.5	0	0	0	112.4	D213 K215 Y221	D213-N217 VanDerWaalsContact O-CB 3.27Å; D213-N217 WeakPolarHBondContact O-CB 3.24Å; D213-N217 PolarHBondContact O-N 3.4Å; D213-N217 PolarHBondContact O-ND2 3.05Å; K215-N217 PolarHBondContact O-N 3.48Å; N217-Y221 VanDerWaalsContact O-CB 3.29Å; N217-Y221 WeakPolarHBondContact O-CB 3.48Å; N217-Y221 PolarHBondContact O-N 3.49Å
218	L	94.5	Very high	91.7	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-41.6	176.8	-76.6	175.6	0	0	0	112	I214 K215 S216 Y221 A222 I244 L246 L257 L261 I384 L386	I214-L218 HydrophobicContact CG2-CD1 3.75Å; I214-L218 HydrophobicContact CG2-CG 4.34Å; I214-L218 VanDerWaalsContact O-CB 3.24Å; I214-L218 WeakPolarHBondContact O-CB 3.31Å; I214-L218 WeakPolarHBondContact O-CG 3.48Å; I214-L218 PolarHBondContact O-N 3.46Å; K215-L218 PolarHBondContact O-N 2.85Å; S216-L218 PolarHBondContact O-N 3.41Å; L218-Y221 PolarHBondContact O-N 3.08Å; L218-A222 WeakPolarHBondContact O-CB 3.33Å; L218-A222 PolarHBondContact O-N 3.04Å; L218-I244 HydrophobicContact CD2-CD1 4.34Å; L218-I244 HydrophobicContact CD2-CG2 3.71Å; L218-L246 HydrophobicContact CD1-CD2 4.12Å; L218-L246 HydrophobicContact CD2-CD2 4.44Å; L218-L257 HydrophobicContact CD1-CD2 3.83Å; L218-L257 HydrophobicContact CD1-CG 4.23Å; L218-L261 HydrophobicContact CB-CD1 4.32Å; L218-L261 HydrophobicContact CB-CD2 4.17Å; L218-I384 HydrophobicContact CD2-CG2 4.38Å; L218-L386 HydrophobicContact CD1-CD2 3.97Å; L218-L386 HydrophobicContact CD2-CD2 4.23Å; L218-L386 HydrophobicContact CG-CD2 4.16Å
219	L	94.8	Very high	91.7	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-48.6	176.9	-178	60.7	0	0	0	111	W205 K215 S216 Y221 A222 Q223 L261 K264 L265 R268	W205-L219 HydrophobicContact CH2-CB 4.02Å; W205-L219 HydrophobicContact CH2-CD2 4.42Å; W205-L219 HydrophobicContact CZ2-CB 4.47Å; W205-L219 HydrophobicContact CZ2-CD2 4.23Å; K215-L219 WeakPolarHBondContact O-CB 3.37Å; K215-L219 PolarHBondContact O-N 3.07Å; S216-L219 PolarHBondContact O-N 3.24Å; L219-Y221 VanDerWaalsContact C-N 3.33Å; L219-Y221 PolarHBondContact O-N 2.79Å; L219-A222 PolarHBondContact O-N 3.45Å; L219-Q223 HydrophobicContact CD1-CG 4.41Å; L219-Q223 WeakPolarHBondContact O-CG 3.31Å; L219-Q223 PolarHBondContact O-N 2.86Å; L219-L261 HydrophobicContact CB-CD1 4.14Å; L219-L261 HydrophobicContact CD1-CD1 4.14Å; L219-K264 HydrophobicContact CD1-CB 4.43Å; L219-K264 HydrophobicContact CD1-CG 4.32Å; L219-K264 HydrophobicContact CD2-CG 3.99Å; L219-L265 HydrophobicContact CD1-CD1 4.18Å; L219-R268 HydrophobicContact CD1-CG 4.43Å; L219-R268 HydrophobicContact CD2-CG 4.34Å
220	Q	92.9	Very high	91.6	Very high	117 Å²	117	43.4 Å²	43.4	55%	0.547	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-43	177.9	-174	177.6	32.9	0	0	111.5	S216 T224	S216-Q220 VanDerWaalsContact O-CB 3.3Å; S216-Q220 WeakPolarHBondContact O-CB 3.32Å; S216-Q220 PolarHBondContact O-N 2.89Å; Q220-T224 VanDerWaalsContact O-CB 3.31Å; Q220-T224 WeakPolarHBondContact O-CB 3.45Å; Q220-T224 PolarHBondContact O-N 3.37Å; Q220-T224 PolarHBondContact O-OG1 3.13Å
221	Y	94.8	Very high	91.8	Very high	51 Å²	51	50.8 Å²	50.8	20%	0.2	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-49.7	174.7	174	-97.8	0	0	0	111.5	N217 L218 L219 Q223 T224 A225 I244 D383 I384	N217-Y221 VanDerWaalsContact O-CB 3.29Å; N217-Y221 WeakPolarHBondContact O-CB 3.48Å; N217-Y221 PolarHBondContact O-N 3.49Å; L218-Y221 PolarHBondContact O-N 3.08Å; L219-Y221 VanDerWaalsContact C-N 3.33Å; L219-Y221 PolarHBondContact O-N 2.79Å; Y221-Q223 PolarHBondContact O-N 2.95Å; Y221-T224 PolarHBondContact O-N 3.1Å; Y221-A225 HydrophobicContact CE1-CB 4.28Å; Y221-A225 VanDerWaalsContact O-CB 3.27Å; Y221-A225 WeakPolarHBondContact O-CB 3.47Å; Y221-A225 PolarHBondContact O-N 3.07Å; Y221-I244 HydrophobicContact CD1-CD1 3.64Å; Y221-I244 HydrophobicContact CD1-CG1 3.89Å; Y221-I244 HydrophobicContact CE1-CD1 3.88Å; Y221-I244 HydrophobicContact CE1-CG1 3.64Å; Y221-D383 WeakPolarHBondContact OH-CB 3.48Å; Y221-D383 PolarHBondContact OH-OD2 3.12Å; Y221-I384 HydrophobicContact CD1-CD1 3.47Å; Y221-I384 VanDerWaalsContact CD1-CD1 3.47Å; Y221-I384 HydrophobicContact CD1-CG1 4.18Å; Y221-I384 HydrophobicContact CD2-CD1 3.42Å; Y221-I384 VanDerWaalsContact CD2-CD1 3.42Å; Y221-I384 HydrophobicContact CD2-CG1 4.1Å; Y221-I384 HydrophobicContact CE1-CD1 3.87Å; Y221-I384 HydrophobicContact CE1-CG1 4.06Å; Y221-I384 HydrophobicContact CE2-CD1 3.81Å; Y221-I384 HydrophobicContact CE2-CG1 3.96Å; Y221-I384 HydrophobicContact CG-CD1 3.22Å; Y221-I384 HydrophobicContact CG-CG1 4.2Å
222	A	96.4	Very high	92.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-46.8	-179.4	0	0	0	0	0	111.7	L218 L219 T224 A225 L226 L265 L363	L218-A222 WeakPolarHBondContact O-CB 3.33Å; L218-A222 PolarHBondContact O-N 3.04Å; L219-A222 PolarHBondContact O-N 3.45Å; A222-T224 PolarHBondContact O-N 2.71Å; A222-A225 PolarHBondContact O-N 2.95Å; A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 2.67Å; A222-L265 HydrophobicContact CB-CD1 4.01Å; A222-L265 HydrophobicContact CB-CD2 4.05Å; A222-L363 HydrophobicContact CB-CD2 3.74Å
223	Q	95.4	Very high	93	Very high	41 Å²	41	55.8 Å²	55.8	19%	0.192	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45	175.5	-70.9	175.3	-58.1	0	0	111.7	L219 Y221 A225 L226 L227 L265	L219-Q223 HydrophobicContact CD1-CG 4.41Å; L219-Q223 WeakPolarHBondContact O-CG 3.31Å; L219-Q223 PolarHBondContact O-N 2.86Å; Y221-Q223 PolarHBondContact O-N 2.95Å; Q223-A225 VanDerWaalsContact C-N 3.35Å; Q223-A225 PolarHBondContact O-N 3.35Å; Q223-L226 PolarHBondContact O-N 2.82Å; Q223-L227 WeakPolarHBondContact O-CB 3.37Å; Q223-L227 PolarHBondContact O-N 3.38Å; Q223-L265 HydrophobicContact CG-CD1 3.7Å
224	T	95.2	Very high	93.3	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-40.8	179.2	-56.2	0	0	0	0	111.4	Q220 Y221 A222 L227 F228	Q220-T224 VanDerWaalsContact O-CB 3.31Å; Q220-T224 WeakPolarHBondContact O-CB 3.45Å; Q220-T224 PolarHBondContact O-N 3.37Å; Q220-T224 PolarHBondContact O-OG1 3.13Å; Y221-T224 PolarHBondContact O-N 3.1Å; A222-T224 PolarHBondContact O-N 2.71Å; T224-L227 WeakPolarHBondContact O-CB 3.36Å; T224-L227 PolarHBondContact O-N 3.3Å; T224-F228 HydrophobicContact CG2-CD1 4.01Å; T224-F228 HydrophobicContact CG2-CE1 3.8Å; T224-F228 VanDerWaalsContact O-CD1 3.25Å; T224-F228 WeakPolarHBondContact O-CD1 3Å; T224-F228 PolarHBondContact O-N 3.02Å
225	A	94.8	Very high	93.2	Very high	6 Å²	6	59.1 Å²	59.1	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-38.9	-179.7	0	0	0	0	0	111.8	Y221 A222 Q223 A229 R242	Y221-A225 HydrophobicContact CE1-CB 4.28Å; Y221-A225 VanDerWaalsContact O-CB 3.27Å; Y221-A225 WeakPolarHBondContact O-CB 3.47Å; Y221-A225 PolarHBondContact O-N 3.07Å; A222-A225 PolarHBondContact O-N 2.95Å; Q223-A225 VanDerWaalsContact C-N 3.35Å; Q223-A225 PolarHBondContact O-N 3.35Å; A225-A229 PolarHBondContact O-N 2.94Å; A225-R242 HydrophobicContact CB-CG 4.16Å
226	L	95	Very high	92.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-40.8	172.6	-70.9	174.9	0	0	0	111.8	A222 Q223 F228 A229 D230 L265 M269 Y273 L315	A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 2.67Å; Q223-L226 PolarHBondContact O-N 2.82Å; L226-F228 VanDerWaalsContact C-N 3.33Å; L226-F228 PolarHBondContact O-N 3.49Å; L226-A229 WeakPolarHBondContact O-CB 3.44Å; L226-A229 PolarHBondContact O-N 3.4Å; L226-D230 WeakPolarHBondContact O-CB 3.45Å; L226-D230 PolarHBondContact O-N 2.67Å; L226-L265 HydrophobicContact CD1-CD1 4.22Å; L226-L265 HydrophobicContact CD1-CD2 3.69Å; L226-L265 HydrophobicContact CD1-CG 4.13Å; L226-M269 HydrophobicContact CB-CE 4.39Å; L226-M269 HydrophobicContact CB-SD 4.11Å; L226-M269 HydrophobicContact CD1-SD 3.57Å; L226-M269 VanDerWaalsContact CD1-SD 3.57Å; L226-Y273 HydrophobicContact CD1-CE2 4.27Å; L226-L315 HydrophobicContact CD1-CD1 3.71Å; L226-L315 HydrophobicContact CD1-CD2 4.36Å; L226-L315 HydrophobicContact CD2-CD1 3.97Å
227	L	94.1	Very high	93	Very high	84 Å²	84	66.7 Å²	66.7	44%	0.44	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-44	173.7	175.2	65.3	0	0	0	111.8	Q223 T224 A229 D230 R231	Q223-L227 WeakPolarHBondContact O-CB 3.37Å; Q223-L227 PolarHBondContact O-N 3.38Å; T224-L227 WeakPolarHBondContact O-CB 3.36Å; T224-L227 PolarHBondContact O-N 3.3Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.19Å; L227-D230 PolarHBondContact O-N 2.84Å; L227-R231 HydrophobicContact CD1-CG 4.05Å; L227-R231 HydrophobicContact CG-CG 4.5Å; L227-R231 WeakPolarHBondContact O-CB 3.26Å; L227-R231 VanDerWaalsContact O-CG 3.26Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.42Å
228	F	94.7	Very high	93	Very high	76 Å²	76	66.5 Å²	66.5	33%	0.333	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.2	-88.8	41.4	0	0	0	111.6	T224 L226 K232 V233 W240	T224-F228 HydrophobicContact CG2-CD1 4.01Å; T224-F228 HydrophobicContact CG2-CE1 3.8Å; T224-F228 VanDerWaalsContact O-CD1 3.25Å; T224-F228 WeakPolarHBondContact O-CD1 3Å; T224-F228 PolarHBondContact O-N 3.02Å; L226-F228 VanDerWaalsContact C-N 3.33Å; L226-F228 PolarHBondContact O-N 3.49Å; F228-K232 PolarHBondContact O-N 3.4Å; F228-V233 HydrophobicContact CB-CG2 4.26Å; F228-V233 HydrophobicContact CD2-CB 4.48Å; F228-V233 HydrophobicContact CD2-CG1 4.39Å; F228-V233 HydrophobicContact CD2-CG2 4.29Å; F228-V233 HydrophobicContact CG-CG2 4.23Å; F228-V233 WeakPolarHBondContact O-CG2 3.41Å; F228-V233 PolarHBondContact O-N 3.33Å; F228-V233 VanDerWaalsContact O-N 3.11Å; F228-W240 HydrophobicContact CB-CZ2 4.36Å
229	A	92.7	Very high	92.6	Very high	10 Å²	10	71.1 Å²	71.1	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-43.2	177.3	0	0	0	0	0	111.9	A225 L226 L227 R231 K232 P360	A225-A229 PolarHBondContact O-N 2.94Å; L226-A229 WeakPolarHBondContact O-CB 3.44Å; L226-A229 PolarHBondContact O-N 3.4Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.19Å; A229-R231 VanDerWaalsContact C-N 3.33Å; A229-R231 PolarHBondContact O-N 3.49Å; A229-K232 PolarHBondContact O-N 2.84Å; A229-P360 HydrophobicContact CB-CB 4.03Å; A229-P360 VanDerWaalsContact CB-O 3.26Å; A229-P360 WeakPolarHBondContact CB-O 3.28Å
230	D	90.9	Very high	92.3	Very high	60 Å²	60	72.5 Å²	72.5	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-38	177.8	-164.1	55.3	0	0	0	111.9	L226 L227 K232 R272	L226-D230 WeakPolarHBondContact O-CB 3.45Å; L226-D230 PolarHBondContact O-N 2.67Å; L227-D230 PolarHBondContact O-N 2.84Å; D230-K232 PolarHBondContact O-N 3.46Å; D230-R272 IonicContact OD1-CZ 3.43Å; D230-R272 IonicContact OD1-NE 2.76Å; D230-R272 PolarHBondContact OD1-NE 3.12Å; D230-R272 IonicContact OD1-NH2 3.48Å; D230-R272 PolarHBondContact OD1-NH2 2.92Å; D230-R272 IonicContact OD2-NE 3.11Å; D230-R272 PolarHBondContact OD2-NE 2.69Å
231	R	94	Very high	92.1	Very high	187 Å²	187	68.4 Å²	68.4	71%	0.706	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	3.6	173.5	-64.2	-63	-176.5	160.9	-0.9	114.1	L227 A229 V233	L227-R231 HydrophobicContact CD1-CG 4.05Å; L227-R231 HydrophobicContact CG-CG 4.5Å; L227-R231 WeakPolarHBondContact O-CB 3.26Å; L227-R231 VanDerWaalsContact O-CG 3.26Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.42Å; A229-R231 VanDerWaalsContact C-N 3.33Å; A229-R231 PolarHBondContact O-N 3.49Å; R231-V233 HydrophobicContact CB-CG2 4.26Å; R231-V233 PolarHBondContact O-N 3.47Å
232	K	92	Very high	92	Very high	185 Å²	185	66.5 Å²	66.5	80%	0.804	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39	179.5	-57.3	180	-178.6	177.6	0	112.4	F228 A229 D230 S234	F228-K232 PolarHBondContact O-N 3.4Å; A229-K232 PolarHBondContact O-N 2.84Å; D230-K232 PolarHBondContact O-N 3.46Å; K232-S234 PolarHBondContact O-N 2.87Å
233	V	93.6	Very high	92	Very high	49 Å²	49	66.5 Å²	66.5	30%	0.297	36%	0.361	S	S	.	.			trans	-55.8	141.9	171.3	-176.3	0	0	0	0	106.8	F228 R231 S235 I238 W240	F228-V233 HydrophobicContact CB-CG2 4.26Å; F228-V233 HydrophobicContact CD2-CB 4.48Å; F228-V233 HydrophobicContact CD2-CG1 4.39Å; F228-V233 HydrophobicContact CD2-CG2 4.29Å; F228-V233 HydrophobicContact CG-CG2 4.23Å; F228-V233 WeakPolarHBondContact O-CG2 3.41Å; F228-V233 PolarHBondContact O-N 3.33Å; F228-V233 VanDerWaalsContact O-N 3.11Å; R231-V233 HydrophobicContact CB-CG2 4.26Å; R231-V233 PolarHBondContact O-N 3.47Å; V233-S235 PolarHBondContact O-N 3.34Å; V233-I238 HydrophobicContact CG1-CD1 4.03Å; V233-W240 HydrophobicContact CB-CH2 3.35Å; V233-W240 HydrophobicContact CB-CZ2 3.77Å; V233-W240 HydrophobicContact CB-CZ3 4.17Å; V233-W240 HydrophobicContact CG1-CH2 3.31Å; V233-W240 HydrophobicContact CG1-CZ2 4.19Å; V233-W240 HydrophobicContact CG1-CZ3 3.64Å; V233-W240 WeakPolarHBondContact O-CH2 3.5Å; V233-W240 WeakPolarHBondContact O-CZ2 3.07Å
234	S	90.9	Very high	92	Very high	61 Å²	61	64.6 Å²	64.6	43%	0.427	35%	0.353	S	S	.	.			trans	-78.8	117.9	178.8	-179	0	0	0	0	111.4	K232 S236 V237 I238 W240	K232-S234 PolarHBondContact O-N 2.87Å; S234-S236 PolarHBondContact O-N 3.23Å; S234-S236 VanDerWaalsContact O-N 3.16Å; S234-S236 PolarHBondContact OG-N 3.2Å; S234-V237 PolarHBondContact O-N 2.9Å; S234-I238 PolarHBondContact O-N 2.87Å; S234-W240 VanDerWaalsContact C-CH2 3.42Å; S234-W240 WeakPolarHBondContact O-CZ3 3.22Å
235	S	86.9	Confident	92.1	Very high	76 Å²	76	61.8 Å²	61.8	53%	0.531	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.7	176.5	60.5	0	0	0	0	113.9	V233 I238	V233-S235 PolarHBondContact O-N 3.34Å; S235-I238 CarbonylContact C-O 3.17Å; S235-I238 WeakPolarHBondContact CA-O 2.87Å
236	S	86.6	Confident	92.2	Very high	114 Å²	114	61.7 Å²	61.7	80%	0.797	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.1	173.9	-56.5	0	0	0	0	112.7	S234	S234-S236 PolarHBondContact O-N 3.23Å; S234-S236 VanDerWaalsContact O-N 3.16Å; S234-S236 PolarHBondContact OG-N 3.2Å
237	V	92	Very high	92.2	Very high	123 Å²	123	64.8 Å²	64.8	75%	0.745	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-49.1	-179.1	-178.7	0	0	0	0	110.5	S234	S234-V237 PolarHBondContact O-N 2.9Å
238	I	91.3	Very high	92.3	Very high	87 Å²	87	60.8 Å²	60.8	45%	0.446	33%	0.325	S	S	.	.	S	Bend	trans	-110.5	131.2	172.5	-55.7	169.6	0	0	0	105.4	V233 S234 S235 W240	V233-I238 HydrophobicContact CG1-CD1 4.03Å; S234-I238 PolarHBondContact O-N 2.87Å; S235-I238 CarbonylContact C-O 3.17Å; S235-I238 WeakPolarHBondContact CA-O 2.87Å; I238-W240 VanDerWaalsContact C-CE3 3.47Å; I238-W240 HydrophobicContact CB-CE3 3.84Å; I238-W240 HydrophobicContact CB-CZ3 3.56Å; I238-W240 HydrophobicContact CG2-CE3 3.78Å; I238-W240 HydrophobicContact CG2-CZ3 4.03Å; I238-W240 WeakPolarHBondContact O-CZ3 3.3Å
239	S	86.3	Confident	92.2	Very high	103 Å²	103	59.1 Å²	59.1	72%	0.72	32%	0.322	S	S	*	.			trans	-91.3	121.3	-179.7	-169.8	0	0	0	0	109.7
240	W	88.1	Confident	92.3	Very high	33 Å²	33	62.2 Å²	62.2	13%	0.125	34%	0.341	C	S	.	.			trans	-152	143.8	166.6	69.9	101.7	0	0	0	109.6	F228 V233 S234 I238	F228-W240 HydrophobicContact CB-CZ2 4.36Å; V233-W240 HydrophobicContact CB-CH2 3.35Å; V233-W240 HydrophobicContact CB-CZ2 3.77Å; V233-W240 HydrophobicContact CB-CZ3 4.17Å; V233-W240 HydrophobicContact CG1-CH2 3.31Å; V233-W240 HydrophobicContact CG1-CZ2 4.19Å; V233-W240 HydrophobicContact CG1-CZ3 3.64Å; V233-W240 WeakPolarHBondContact O-CH2 3.5Å; V233-W240 WeakPolarHBondContact O-CZ2 3.07Å; S234-W240 VanDerWaalsContact C-CH2 3.42Å; S234-W240 WeakPolarHBondContact O-CZ3 3.22Å; I238-W240 VanDerWaalsContact C-CE3 3.47Å; I238-W240 HydrophobicContact CB-CE3 3.84Å; I238-W240 HydrophobicContact CB-CZ3 3.56Å; I238-W240 HydrophobicContact CG2-CE3 3.78Å; I238-W240 HydrophobicContact CG2-CZ3 4.03Å; I238-W240 WeakPolarHBondContact O-CZ3 3.3Å
241	N	88.8	Confident	92.4	Very high	30 Å²	30	59.8 Å²	59.8	16%	0.16	33%	0.331	C	S	.	.			trans	-113.4	-12.5	-175.7	-66.5	-72.9	0	0	0	113.6	V243 K357 R381 D383	N241-V243 VanDerWaalsContact C-N 3.3Å; N241-V243 HydrophobicContact CB-CG2 4.04Å; N241-K357 HydrophobicContact CB-CD 4.35Å; N241-K357 PolarHBondContact OD1-NZ 2.83Å; N241-R381 WeakPolarHBondContact CB-O 3.47Å; N241-R381 PolarHBondContact ND2-O 2.91Å; N241-D383 WeakPolarHBondContact CA-OD2 3.03Å; N241-D383 WeakPolarHBondContact CB-OD1 3.39Å; N241-D383 PolarHBondContact N-OD1 3.01Å; N241-D383 PolarHBondContact N-OD2 3Å; N241-D383 PolarHBondContact ND2-OD1 2.78Å; N241-D383 VanDerWaalsContact ND2-OD1 3.16Å
242	R	92.8	Very high	92.4	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.045	30%	0.3	C	S	.	.			trans	60.7	37.9	-173.5	-58.4	173.7	-79.2	163.6	-5.6	112.9	A225 K357 F359 P360 V362 L363 I364 D383	A225-R242 HydrophobicContact CB-CG 4.16Å; R242-K357 VanDerWaalsContact NH2-C 3.33Å; R242-K357 PolarHBondContact NH2-O 2.88Å; R242-F359 PolarHBondContact NH1-O 3.35Å; R242-F359 PolarHBondContact NH2-O 2.84Å; R242-P360 VanDerWaalsContact NH1-CA 3.3Å; R242-P360 PolarHBondContact NH1-O 3.21Å; R242-V362 PolarHBondContact NH1-O 3.25Å; R242-L363 HydrophobicContact CB-CD1 4.4Å; R242-I364 PolarHBondContact O-N 3.12Å; R242-D383 WeakPolarHBondContact CA-OD2 3.39Å; R242-D383 PolarHBondContact N-OD2 3.02Å
243	V	95.5	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.4	178.5	-179.1	0	0	0	0	109.2	N241 I364 F378 R381 A382 D383 I384	N241-V243 VanDerWaalsContact C-N 3.3Å; N241-V243 HydrophobicContact CB-CG2 4.04Å; V243-I364 CarbonylContact C-O 3.46Å; V243-I364 WeakPolarHBondContact CA-O 3.29Å; V243-I364 HydrophobicContact CB-CB 4.49Å; V243-I364 HydrophobicContact CG1-CG2 4.21Å; V243-I364 HydrophobicContact CG2-CB 4.04Å; V243-I364 HydrophobicContact CG2-CD1 3.93Å; V243-I364 HydrophobicContact CG2-CG2 4.3Å; V243-F378 HydrophobicContact CG1-CZ 4.34Å; V243-R381 VanDerWaalsContact CB-O 3.31Å; V243-R381 WeakPolarHBondContact CB-O 3.41Å; V243-A382 HydrophobicContact CG1-CB 4.14Å; V243-D383 PolarHBondContact N-OD2 2.92Å; V243-D383 PolarHBondContact O-N 3.06Å; V243-I384 PolarHBondContact O-N 3.37Å
244	I	96.7	Very high	92.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.6	175.1	-57.1	176.1	0	0	0	108.2	L218 Y221 L246 L261 L363 I364 L365 A366 I384	L218-I244 HydrophobicContact CD2-CD1 4.34Å; L218-I244 HydrophobicContact CD2-CG2 3.71Å; Y221-I244 HydrophobicContact CD1-CD1 3.64Å; Y221-I244 HydrophobicContact CD1-CG1 3.89Å; Y221-I244 HydrophobicContact CE1-CD1 3.88Å; Y221-I244 HydrophobicContact CE1-CG1 3.64Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L261 HydrophobicContact CD1-CD2 4.22Å; I244-L363 HydrophobicContact CD1-CD1 4.19Å; I244-I364 PolarHBondContact N-O 3.29Å; I244-L365 HydrophobicContact CB-CD2 3.97Å; I244-L365 HydrophobicContact CD1-CD2 3.85Å; I244-L365 HydrophobicContact CG1-CD2 4.29Å; I244-L365 CarbonylContact O-C 3.53Å; I244-A366 PolarHBondContact O-N 3.27Å; I244-I384 HydrophobicContact CG2-CB 4.37Å; I244-I384 HydrophobicContact CG2-CG2 4.28Å
245	L	96.5	Very high	93	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.3	174.6	174.3	62.3	0	0	0	110.6	V323 A366 I374 F378 L379 A382 I384 R385 L386	L245-V323 HydrophobicContact CD1-CG2 3.91Å; L245-A366 CarbonylContact C-O 3.48Å; L245-A366 WeakPolarHBondContact CA-O 3.37Å; L245-A366 HydrophobicContact CD1-CB 3.94Å; L245-I374 HydrophobicContact CD2-CD1 3.95Å; L245-I374 HydrophobicContact CD2-CG2 4.42Å; L245-F378 HydrophobicContact CD1-CE1 4.09Å; L245-F378 HydrophobicContact CD2-CD1 4.39Å; L245-F378 HydrophobicContact CD2-CE1 4.4Å; L245-L379 HydrophobicContact CD2-CD2 3.49Å; L245-L379 VanDerWaalsContact CD2-CD2 3.49Å; L245-A382 HydrophobicContact CB-CB 3.87Å; L245-I384 PolarHBondContact N-O 3.02Å; L245-R385 WeakPolarHBondContact O-CA 3.18Å; L245-L386 PolarHBondContact O-N 2.91Å
246	L	96.8	Very high	93.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.4	169.6	-49.9	-174.4	0	0	0	109.6	L218 I244 K254 L257 C258 A366 T367 S368 L386 I388	L218-L246 HydrophobicContact CD1-CD2 4.12Å; L218-L246 HydrophobicContact CD2-CD2 4.44Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; L246-K254 HydrophobicContact CB-CB 4.24Å; L246-K254 HydrophobicContact CB-CG 4.38Å; L246-L257 HydrophobicContact CD1-CB 4.2Å; L246-L257 HydrophobicContact CD1-CD2 3.92Å; L246-L257 HydrophobicContact CD1-CG 4.1Å; L246-C258 VanDerWaalsContact CD1-SG 3.53Å; L246-A366 PolarHBondContact N-O 3.48Å; L246-T367 HydrophobicContact CB-CG2 4.28Å; L246-T367 CarbonylContact O-C 3.56Å; L246-T367 VanDerWaalsContact O-CA 3.24Å; L246-T367 WeakPolarHBondContact O-CA 3.48Å; L246-S368 PolarHBondContact O-N 2.92Å; L246-L386 CarbonylContact C-O 3.59Å; L246-L386 WeakPolarHBondContact CA-O 3.21Å; L246-L386 HydrophobicContact CD2-CB 3.86Å; L246-L386 HydrophobicContact CD2-CD2 4.02Å; L246-L386 HydrophobicContact CD2-CG 4.42Å; L246-I388 HydrophobicContact CB-CG1 4.29Å
247	Y	95.6	Very high	94	Very high	66 Å²	66	32.7 Å²	32.7	26%	0.259	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.7	179.5	69.8	-80.6	0	0	0	111.9	S368 I374 R385 L386 F387 I388	Y247-S368 VanDerWaalsContact CA-O 3.3Å; Y247-S368 WeakPolarHBondContact CA-O 3.23Å; Y247-I374 HydrophobicContact CG-CD1 4.36Å; Y247-R385 HydrophobicContact CE1-CB 4.23Å; Y247-L386 WeakPolarHBondContact CD1-O 3.27Å; Y247-L386 PolarHBondContact N-O 3.47Å; Y247-F387 AromaticContact CD2-CD2 3.97Å; Y247-F387 HydrophobicContact CD2-CD2 3.97Å; Y247-F387 HydrophobicContact CE1-CB 4.15Å; Y247-F387 HydrophobicContact CE2-CB 3.97Å; Y247-F387 AromaticContact CE2-CD2 3.71Å; Y247-F387 HydrophobicContact CE2-CD2 3.71Å; Y247-F387 HydrophobicContact CE2-CG 4.29Å; Y247-F387 CarbonylContact O-C 3.57Å; Y247-F387 VanDerWaalsContact O-CA 3.28Å; Y247-F387 WeakPolarHBondContact O-CA 3.44Å; Y247-I388 PolarHBondContact O-N 3.4Å
248	G	94.9	Very high	94.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.			trans	153	179.1	-179	0	0	0	0	0	112.9	K254 S368 N369	G248-K254 PolarHBondContact O-NZ 2.85Å; G248-S368 PolarHBondContact N-O 2.94Å; G248-N369 CarbonylContact O-C 3.51Å; G248-N369 WeakPolarHBondContact O-CA 3.4Å; G248-N369 VanDerWaalsContact O-O 3.11Å
249	P	93.9	Very high	94.6	Very high	41 Å²	41	26 Å²	26	27%	0.266	15%	0.152	S	C	.	.	S	Bend	trans	-55.7	153.5	-178	-24.9	34.4	0	0	0	113.5	T252 K254 T371	P249-T252 HydrophobicContact CB-CG2 4.16Å; P249-T252 WeakPolarHBondContact O-CG2 3.22Å; P249-T252 PolarHBondContact O-OG1 3.2Å; P249-K254 PolarHBondContact O-NZ 3.13Å; P249-T371 HydrophobicContact CG-CG2 4.39Å
250	P	93.8	Very high	95.1	Very high	75 Å²	75	21.2 Å²	21.2	49%	0.487	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	147	176.2	27.3	-34.5	0	0	0	111.4	N369 N455	P250-N369 HydrophobicContact CB-CB 4.39Å; P250-N455 PolarHBondContact O-ND2 2.86Å
251	G	93.5	Very high	95.6	Very high	10 Å²	10	19.8 Å²	19.8	10%	0.103	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	10.5	177.4	0	0	0	0	0	115.7	G456 R457	G251-G456 PolarHBondContact O-N 3.31Å; G251-R457 PolarHBondContact O-N 3.38Å
252	T	93.8	Very high	96	Very high	11 Å²	11	18.3 Å²	18.3	7%	0.067	11%	0.105	C	C	.	.	S	Bend	trans	-88.1	2.9	175.8	60.1	0	0	0	0	114.4	P249 I388 G389	P249-T252 HydrophobicContact CB-CG2 4.16Å; P249-T252 WeakPolarHBondContact O-CG2 3.22Å; P249-T252 PolarHBondContact O-OG1 3.2Å; T252-I388 WeakPolarHBondContact CB-O 3.36Å; T252-I388 PolarHBondContact OG1-O 3.17Å; T252-I388 VanDerWaalsContact OG1-O 3.08Å; T252-G389 WeakPolarHBondContact CG2-O 3.37Å
253	G	95.3	Very high	96.3	Very high	18 Å²	18	18.3 Å²	18.3	19%	0.186	11%	0.105	C	C	.	.	S	Bend	trans	89.2	15.7	173.5	0	0	0	0	0	115.8	S256 L257	G253-S256 PolarHBondContact O-N 2.98Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.4Å; G253-L257 PolarHBondContact O-N 2.89Å
254	K	96.9	Very high	96.3	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-55.4	-55.7	179.7	-54.9	178.8	-64.3	-88.4	0	113.5	L246 G248 P249 S256 L257 C258 T367 S368 N369 I388	L246-K254 HydrophobicContact CB-CB 4.24Å; L246-K254 HydrophobicContact CB-CG 4.38Å; G248-K254 PolarHBondContact O-NZ 2.85Å; P249-K254 PolarHBondContact O-NZ 3.13Å; K254-S256 VanDerWaalsContact C-N 3.33Å; K254-S256 PolarHBondContact O-N 3.27Å; K254-L257 WeakPolarHBondContact O-CB 3.47Å; K254-L257 PolarHBondContact O-N 2.87Å; K254-L257 VanDerWaalsContact O-N 3.14Å; K254-C258 PolarHBondContact O-N 3.41Å; K254-T367 HydrophobicContact CB-CG2 3.75Å; K254-S368 WeakPolarHBondContact CD-O 3.43Å; K254-S368 WeakPolarHBondContact CE-O 3.36Å; K254-N369 VanDerWaalsContact CE-OD1 3.31Å; K254-N369 WeakPolarHBondContact CE-OD1 3.41Å; K254-N369 PolarHBondContact NZ-OD1 2.87Å; K254-I388 HydrophobicContact CG-CB 4.04Å; K254-I388 HydrophobicContact CG-CG1 4.25Å; K254-I388 HydrophobicContact CG-CG2 4.45Å
255	T	96.7	Very high	96.3	Very high	28 Å²	28	18.5 Å²	18.5	17%	0.172	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-44.3	178.2	-44.2	0	0	0	0	110.8	L257 C258 R259 L319 D321	T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 2.83Å; T255-C258 PolarHBondContact O-N 2.83Å; T255-R259 WeakPolarHBondContact O-CG 3.43Å; T255-R259 PolarHBondContact O-N 2.76Å; T255-L319 HydrophobicContact CG2-CD2 3.97Å; T255-D321 WeakPolarHBondContact CG2-OD2 3.39Å; T255-D321 PolarHBondContact OG1-OD2 2.84Å
256	S	97.3	Very high	96.4	Very high	39 Å²	39	18.8 Å²	18.8	27%	0.273	11%	0.109	S	C	.	.	H	α-helix	trans	-60.9	-38.5	175.7	-57.7	0	0	0	0	112.6	L204 G253 K254 R259 A260	L204-S256 WeakPolarHBondContact CD2-O 3.44Å; G253-S256 PolarHBondContact O-N 2.98Å; K254-S256 VanDerWaalsContact C-N 3.33Å; K254-S256 PolarHBondContact O-N 3.27Å; S256-R259 PolarHBondContact O-N 3.44Å; S256-A260 VanDerWaalsContact O-CB 3.26Å; S256-A260 WeakPolarHBondContact O-CB 3.11Å; S256-A260 PolarHBondContact O-N 2.76Å
257	L	97.4	Very high	96.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-67.8	-40.8	177.3	179.7	55.8	0	0	0	111.4	W205 L208 F210 I214 K215 L218 L246 G253 K254 T255 A260 L261 I388	W205-L257 HydrophobicContact CZ3-CD1 4.49Å; L208-L257 VanDerWaalsContact CD1-CA 3.49Å; L208-L257 HydrophobicContact CD1-CB 3.99Å; L208-L257 HydrophobicContact CD1-CD1 4.15Å; F210-L257 HydrophobicContact CE2-CD1 3.98Å; F210-L257 HydrophobicContact CE2-CD2 3.86Å; F210-L257 HydrophobicContact CE2-CG 4.38Å; F210-L257 HydrophobicContact CZ-CB 4.38Å; F210-L257 HydrophobicContact CZ-CD2 3.84Å; F210-L257 HydrophobicContact CZ-CG 4.49Å; I214-L257 HydrophobicContact CG2-CD2 3.85Å; K215-L257 HydrophobicContact CG-CD1 4.14Å; L218-L257 HydrophobicContact CD1-CD2 3.83Å; L218-L257 HydrophobicContact CD1-CG 4.23Å; L246-L257 HydrophobicContact CD1-CB 4.2Å; L246-L257 HydrophobicContact CD1-CD2 3.92Å; L246-L257 HydrophobicContact CD1-CG 4.1Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.4Å; G253-L257 PolarHBondContact O-N 2.89Å; K254-L257 WeakPolarHBondContact O-CB 3.47Å; K254-L257 PolarHBondContact O-N 2.87Å; K254-L257 VanDerWaalsContact O-N 3.14Å; T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 2.83Å; L257-A260 PolarHBondContact O-N 2.72Å; L257-L261 WeakPolarHBondContact O-CB 3.22Å; L257-L261 PolarHBondContact O-N 3.1Å; L257-I388 HydrophobicContact CD2-CD1 4.22Å
258	C	98.2	Very high	96.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-46.9	173.2	-69.3	0	0	0	0	112	L246 K254 T255 L261 A262 L319 L365 T367	L246-C258 VanDerWaalsContact CD1-SG 3.53Å; K254-C258 PolarHBondContact O-N 3.41Å; T255-C258 PolarHBondContact O-N 2.83Å; C258-L261 PolarHBondContact O-N 3.31Å; C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 3.31Å; C258-L319 HydrophobicContact CB-CD1 3.6Å; C258-L319 HydrophobicContact CB-CD2 3.92Å; C258-L319 HydrophobicContact CB-CG 4.34Å; C258-L365 HydrophobicContact CB-CB 4.12Å; C258-L365 HydrophobicContact CB-CD1 3.8Å; C258-L365 WeakPolarHBondContact O-CD1 3.41Å; C258-T367 VanDerWaalsContact SG-CG2 3.53Å
259	R	98	Very high	96.4	Very high	69 Å²	69	17.4 Å²	17.4	26%	0.26	11%	0.105	S	C	.	.	H	α-helix	trans	-60.2	-47.2	176.3	-69	-175.8	-171.2	150.6	4.7	111.8	M201 L204 T255 S256 L261 A262 N263 L278 E280 L319	M201-R259 HydrophobicContact CE-CB 3.65Å; M201-R259 HydrophobicContact CE-CG 3.74Å; M201-R259 HydrophobicContact SD-CB 3.98Å; L204-R259 HydrophobicContact CD2-CB 3.91Å; T255-R259 WeakPolarHBondContact O-CG 3.43Å; T255-R259 PolarHBondContact O-N 2.76Å; S256-R259 PolarHBondContact O-N 3.44Å; R259-L261 VanDerWaalsContact C-N 3.35Å; R259-L261 PolarHBondContact O-N 2.88Å; R259-A262 PolarHBondContact O-N 3.49Å; R259-N263 PolarHBondContact O-N 2.83Å; R259-L278 HydrophobicContact CB-CD2 4.33Å; R259-L278 HydrophobicContact CG-CD2 3.77Å; R259-E280 IonicContact CZ-OE1 2.72Å; R259-E280 IonicContact CZ-OE2 3.39Å; R259-E280 IonicContact NE-OE2 2.82Å; R259-E280 PolarHBondContact NE-OE2 2.95Å; R259-E280 IonicContact NH2-OE1 2.72Å; R259-E280 PolarHBondContact NH2-OE1 3.39Å; R259-E280 IonicContact NH2-OE2 2.7Å; R259-E280 PolarHBondContact NH2-OE2 3.15Å; R259-L319 HydrophobicContact CG-CD2 4.19Å
260	A	97.4	Very high	96.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-41.7	177.7	0	0	0	0	0	112.1	L204 W205 L208 S256 L257 N263 K264	L204-A260 HydrophobicContact CB-CB 4.36Å; L204-A260 HydrophobicContact CD2-CB 4.08Å; L204-A260 HydrophobicContact CG-CB 3.98Å; W205-A260 HydrophobicContact CB-CB 4.25Å; W205-A260 HydrophobicContact CE3-CB 3.91Å; L208-A260 HydrophobicContact CD1-CB 3.92Å; S256-A260 VanDerWaalsContact O-CB 3.26Å; S256-A260 WeakPolarHBondContact O-CB 3.11Å; S256-A260 PolarHBondContact O-N 2.76Å; L257-A260 PolarHBondContact O-N 2.72Å; A260-N263 PolarHBondContact O-N 3.3Å; A260-K264 VanDerWaalsContact O-CB 3.3Å; A260-K264 WeakPolarHBondContact O-CB 3.49Å; A260-K264 PolarHBondContact O-N 3.48Å
261	L	97.7	Very high	96.3	Very high	3 Å²	3	20 Å²	20	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-46.8	176.7	177	63.3	0	0	0	111.2	W205 L218 L219 I244 L257 C258 R259 N263 K264 L265 L365	W205-L261 HydrophobicContact CH2-CD1 4.38Å; W205-L261 HydrophobicContact CZ3-CB 4.23Å; W205-L261 HydrophobicContact CZ3-CD1 4.17Å; L218-L261 HydrophobicContact CB-CD1 4.32Å; L218-L261 HydrophobicContact CB-CD2 4.17Å; L219-L261 HydrophobicContact CB-CD1 4.14Å; L219-L261 HydrophobicContact CD1-CD1 4.14Å; I244-L261 HydrophobicContact CD1-CD2 4.22Å; L257-L261 WeakPolarHBondContact O-CB 3.22Å; L257-L261 PolarHBondContact O-N 3.1Å; C258-L261 PolarHBondContact O-N 3.31Å; R259-L261 VanDerWaalsContact C-N 3.35Å; R259-L261 PolarHBondContact O-N 2.88Å; L261-N263 PolarHBondContact O-N 3.46Å; L261-K264 PolarHBondContact O-N 3.2Å; L261-L265 VanDerWaalsContact O-CB 3.22Å; L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 PolarHBondContact O-N 3.32Å; L261-L365 HydrophobicContact CD2-CD2 3.87Å
262	A	98.2	Very high	96.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-47.6	176.9	0	0	0	0	0	111.4	L196 C258 R259 K264 L265 A266 L278 C317 L365	L196-A262 HydrophobicContact CD1-CB 3.91Å; C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 3.31Å; R259-A262 PolarHBondContact O-N 3.49Å; A262-K264 PolarHBondContact O-N 3.4Å; A262-L265 PolarHBondContact O-N 3.24Å; A262-A266 PolarHBondContact O-N 2.98Å; A262-L278 HydrophobicContact CB-CB 4.49Å; A262-L278 HydrophobicContact CB-CD1 3.98Å; A262-C317 HydrophobicContact CB-CB 3.61Å; A262-L365 HydrophobicContact CB-CD1 4.46Å
263	N	97.6	Very high	96.5	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-43	177.2	-166.6	64	0	0	0	112.1	L196 P197 S198 M201 R259 A260 L261 A266 I267	L196-N263 HydrophobicContact CD2-CB 4.26Å; P197-N263 WeakPolarHBondContact CA-OD1 3.4Å; S198-N263 PolarHBondContact N-OD1 2.92Å; M201-N263 HydrophobicContact CB-CB 4.01Å; M201-N263 HydrophobicContact SD-CB 4.12Å; R259-N263 PolarHBondContact O-N 2.83Å; A260-N263 PolarHBondContact O-N 3.3Å; L261-N263 PolarHBondContact O-N 3.46Å; N263-A266 PolarHBondContact O-N 2.89Å; N263-I267 WeakPolarHBondContact O-CG1 3.39Å; N263-I267 PolarHBondContact O-N 3.21Å
264	K	96.3	Very high	96.4	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.022	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178.2	-158.2	61.6	157.9	-175.3	0	112	E71 M138 W205 E206 L219 A260 L261 A262 I267 R268	E71-K264 VanDerWaalsContact CD-NZ 3.33Å; E71-K264 WeakPolarHBondContact OE1-CE 3.47Å; E71-K264 IonicContact OE1-NZ 3.79Å; E71-K264 PolarHBondContact OE1-NZ 2.94Å; E71-K264 VanDerWaalsContact OE1-NZ 3.1Å; E71-K264 IonicContact OE2-NZ 2.68Å; E71-K264 PolarHBondContact OE2-NZ 2.86Å; M138-K264 VanDerWaalsContact CE-CE 3.42Å; W205-K264 HydrophobicContact CD2-CB 4.24Å; W205-K264 HydrophobicContact CD2-CD 4.38Å; W205-K264 HydrophobicContact CD2-CG 4.06Å; W205-K264 HydrophobicContact CE3-CB 3.99Å; W205-K264 HydrophobicContact CE3-CG 4.27Å; W205-K264 HydrophobicContact CG-CD 4.26Å; W205-K264 HydrophobicContact CG-CG 4.46Å; W205-K264 HydrophobicContact CZ2-CG 4.33Å; W205-K264 HydrophobicContact CZ3-CB 4.24Å; E206-K264 IonicContact OE1-NZ 2.8Å; E206-K264 PolarHBondContact OE1-NZ 3.26Å; L219-K264 HydrophobicContact CD1-CB 4.43Å; L219-K264 HydrophobicContact CD1-CG 4.32Å; L219-K264 HydrophobicContact CD2-CG 3.99Å; A260-K264 VanDerWaalsContact O-CB 3.3Å; A260-K264 WeakPolarHBondContact O-CB 3.49Å; A260-K264 PolarHBondContact O-N 3.48Å; L261-K264 PolarHBondContact O-N 3.2Å; A262-K264 PolarHBondContact O-N 3.4Å; K264-I267 PolarHBondContact O-N 3.16Å; K264-R268 WeakPolarHBondContact O-CB 3.24Å; K264-R268 VanDerWaalsContact O-CG 3.24Å; K264-R268 WeakPolarHBondContact O-CG 3.4Å; K264-R268 PolarHBondContact O-N 3.49Å
265	L	97.1	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66	-40.4	177.5	-168.7	65.7	0	0	0	111.6	L219 A222 Q223 L226 L261 A262 I267 R268 M269 L315 L363	L219-L265 HydrophobicContact CD1-CD1 4.18Å; A222-L265 HydrophobicContact CB-CD1 4.01Å; A222-L265 HydrophobicContact CB-CD2 4.05Å; Q223-L265 HydrophobicContact CG-CD1 3.7Å; L226-L265 HydrophobicContact CD1-CD1 4.22Å; L226-L265 HydrophobicContact CD1-CD2 3.69Å; L226-L265 HydrophobicContact CD1-CG 4.13Å; L261-L265 VanDerWaalsContact O-CB 3.22Å; L261-L265 WeakPolarHBondContact O-CB 3.5Å; L261-L265 PolarHBondContact O-N 3.32Å; A262-L265 PolarHBondContact O-N 3.24Å; L265-I267 VanDerWaalsContact C-N 3.3Å; L265-I267 PolarHBondContact O-N 3.38Å; L265-R268 PolarHBondContact O-N 2.59Å; L265-M269 HydrophobicContact CD1-CG 4.2Å; L265-M269 HydrophobicContact CD1-SD 4.06Å; L265-M269 WeakPolarHBondContact O-CB 3.1Å; L265-M269 PolarHBondContact O-N 3.14Å; L265-L315 HydrophobicContact CD2-CD2 4.15Å; L265-L315 HydrophobicContact CG-CD2 4.1Å; L265-L363 HydrophobicContact CD2-CD2 3.64Å
266	A	97.6	Very high	96.3	Very high	7 Å²	7	26.4 Å²	26.4	6%	0.058	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-40.9	173.6	0	0	0	0	0	112.1	L196 P197 A262 N263 A270 A276	L196-A266 HydrophobicContact CB-CB 3.6Å; L196-A266 HydrophobicContact CD1-CB 4.24Å; P197-A266 HydrophobicContact CG-CB 4.1Å; A262-A266 PolarHBondContact O-N 2.98Å; N263-A266 PolarHBondContact O-N 2.89Å; A266-A270 PolarHBondContact O-N 2.76Å; A266-A276 HydrophobicContact CB-CB 3.62Å
267	I	96.5	Very high	96.2	Very high	6 Å²	6	26 Å²	26	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-49.3	174.2	-66.3	168.4	0	0	0	110.8	E71 H164 Y166 P197 N263 K264 L265 M269 A270	E71-I267 HydrophobicContact CB-CG2 3.99Å; E71-I267 HydrophobicContact CG-CG2 3.71Å; H164-I267 HydrophobicContact CB-CG2 4.42Å; Y166-I267 HydrophobicContact CD1-CB 4.33Å; Y166-I267 HydrophobicContact CD1-CG1 4.16Å; Y166-I267 HydrophobicContact CD1-CG2 3.56Å; Y166-I267 HydrophobicContact CD2-CG1 3.97Å; Y166-I267 HydrophobicContact CE1-CD1 4.33Å; Y166-I267 HydrophobicContact CE1-CG1 4.21Å; Y166-I267 HydrophobicContact CE1-CG2 3.69Å; Y166-I267 HydrophobicContact CE2-CD1 4.09Å; Y166-I267 HydrophobicContact CE2-CG1 4.02Å; Y166-I267 HydrophobicContact CG-CB 4.47Å; Y166-I267 HydrophobicContact CG-CG1 4.02Å; Y166-I267 HydrophobicContact CG-CG2 4.17Å; P197-I267 HydrophobicContact CB-CD1 4.29Å; P197-I267 HydrophobicContact CB-CG1 3.8Å; P197-I267 HydrophobicContact CG-CG1 3.56Å; N263-I267 WeakPolarHBondContact O-CG1 3.39Å; N263-I267 PolarHBondContact O-N 3.21Å; K264-I267 PolarHBondContact O-N 3.16Å; L265-I267 VanDerWaalsContact C-N 3.3Å; L265-I267 PolarHBondContact O-N 3.38Å; I267-M269 PolarHBondContact O-N 3.43Å; I267-A270 WeakPolarHBondContact O-CB 3.21Å; I267-A270 PolarHBondContact O-N 2.71Å
268	R	95.4	Very high	96.3	Very high	10 Å²	10	26 Å²	26	4%	0.038	14%	0.141	C	C	.	.	H	α-helix	trans	-72.4	-11	-173.8	-69.7	-68.1	178.6	92.3	1.6	115.3	E71 D140 H164 L219 K264 L265	E71-R268 IonicContact OE1-CZ 3.11Å; E71-R268 IonicContact OE1-NE 2.79Å; E71-R268 PolarHBondContact OE1-NE 2.86Å; E71-R268 IonicContact OE1-NH2 3.05Å; E71-R268 PolarHBondContact OE1-NH2 2.83Å; D140-R268 IonicContact OD1-CZ 2.78Å; D140-R268 IonicContact OD1-NH1 2.75Å; D140-R268 PolarHBondContact OD1-NH1 3.35Å; H164-R268 PolarHBondContact ND1-O 3.41Å; L219-R268 HydrophobicContact CD1-CG 4.43Å; L219-R268 HydrophobicContact CD2-CG 4.34Å; K264-R268 WeakPolarHBondContact O-CB 3.24Å; K264-R268 VanDerWaalsContact O-CG 3.24Å; K264-R268 WeakPolarHBondContact O-CG 3.4Å; K264-R268 PolarHBondContact O-N 3.49Å; L265-R268 PolarHBondContact O-N 2.59Å
269	M	95.5	Very high	96.1	Very high	24 Å²	24	26 Å²	26	12%	0.118	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	21.5	-179.4	-61.4	-155.1	65.7	0	0	112	L226 L265 I267 D271 R272 Y273	L226-M269 HydrophobicContact CB-CE 4.39Å; L226-M269 HydrophobicContact CB-SD 4.11Å; L226-M269 HydrophobicContact CD1-SD 3.57Å; L226-M269 VanDerWaalsContact CD1-SD 3.57Å; L265-M269 HydrophobicContact CD1-CG 4.2Å; L265-M269 HydrophobicContact CD1-SD 4.06Å; L265-M269 WeakPolarHBondContact O-CB 3.1Å; L265-M269 PolarHBondContact O-N 3.14Å; I267-M269 PolarHBondContact O-N 3.43Å; M269-D271 WeakPolarHBondContact CA-OD1 3.18Å; M269-D271 PolarHBondContact O-N 2.84Å; M269-R272 HydrophobicContact CE-CB 4.13Å; M269-R272 HydrophobicContact CE-CG 4.2Å; M269-R272 PolarHBondContact O-N 2.85Å; M269-Y273 HydrophobicContact CB-CD2 3.79Å; M269-Y273 HydrophobicContact CB-CE2 4.19Å; M269-Y273 HydrophobicContact CE-CD2 4.26Å; M269-Y273 HydrophobicContact CE-CE2 3.62Å; M269-Y273 PolarHBondContact O-N 2.87Å; M269-Y273 HydrophobicContact SD-CD2 4.49Å; M269-Y273 HydrophobicContact SD-CE2 3.93Å
270	A	94.4	Very high	96	Very high	28 Å²	28	23.5 Å²	23.5	23%	0.231	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.5	179.3	0	0	0	0	0	113.1	I165 A266 I267	I165-A270 VanDerWaalsContact O-CB 3.25Å; I165-A270 WeakPolarHBondContact O-CB 3.05Å; A266-A270 PolarHBondContact O-N 2.76Å; I267-A270 WeakPolarHBondContact O-CB 3.21Å; I267-A270 PolarHBondContact O-N 2.71Å
271	D	92	Very high	95.7	Very high	141 Å²	141	23.6 Å²	23.6	75%	0.754	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-31.1	171.7	66.1	-41.8	0	0	0	112.5	M269	M269-D271 WeakPolarHBondContact CA-OD1 3.18Å; M269-D271 PolarHBondContact O-N 2.84Å
272	R	94.4	Very high	95.1	Very high	65 Å²	65	25.1 Å²	25.1	25%	0.245	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-39.4	-178.8	177.3	58	-171.6	81.9	3.4	113.1	D230 M269 N312 D313	D230-R272 IonicContact OD1-CZ 3.43Å; D230-R272 IonicContact OD1-NE 2.76Å; D230-R272 PolarHBondContact OD1-NE 3.12Å; D230-R272 IonicContact OD1-NH2 3.48Å; D230-R272 PolarHBondContact OD1-NH2 2.92Å; D230-R272 IonicContact OD2-NE 3.11Å; D230-R272 PolarHBondContact OD2-NE 2.69Å; M269-R272 HydrophobicContact CE-CB 4.13Å; M269-R272 HydrophobicContact CE-CG 4.2Å; M269-R272 PolarHBondContact O-N 2.85Å; R272-N312 PolarHBondContact NH1-O 3.11Å; R272-N312 VanDerWaalsContact NH1-O 3.09Å; R272-N312 PolarHBondContact NH2-O 3.47Å; R272-D313 IonicContact NH1-OD1 2.71Å
273	Y	96.2	Very high	94.3	Very high	12 Å²	12	25.1 Å²	25.1	5%	0.047	14%	0.141	C	C	.	.			trans	-113.9	123.7	-175.1	-60.5	-70.7	0	0	0	110.7	L226 M269 S275 D313 L315 N361	L226-Y273 HydrophobicContact CD1-CE2 4.27Å; M269-Y273 HydrophobicContact CB-CD2 3.79Å; M269-Y273 HydrophobicContact CB-CE2 4.19Å; M269-Y273 HydrophobicContact CE-CD2 4.26Å; M269-Y273 HydrophobicContact CE-CE2 3.62Å; M269-Y273 PolarHBondContact O-N 2.87Å; M269-Y273 HydrophobicContact SD-CD2 4.49Å; M269-Y273 HydrophobicContact SD-CE2 3.93Å; Y273-S275 VanDerWaalsContact C-N 3.29Å; Y273-S275 PolarHBondContact O-N 3.43Å; Y273-D313 CarbonylContact C-O 3.58Å; Y273-D313 VanDerWaalsContact CA-O 3.28Å; Y273-D313 WeakPolarHBondContact CA-O 3.37Å; Y273-L315 HydrophobicContact CD1-CB 3.97Å; Y273-L315 HydrophobicContact CD2-CB 3.77Å; Y273-L315 HydrophobicContact CD2-CD2 4.05Å; Y273-L315 HydrophobicContact CD2-CG 4.33Å; Y273-L315 HydrophobicContact CE1-CB 4.36Å; Y273-L315 HydrophobicContact CE2-CB 4.15Å; Y273-L315 HydrophobicContact CE2-CD1 4.12Å; Y273-L315 HydrophobicContact CE2-CD2 4.25Å; Y273-L315 HydrophobicContact CE2-CG 4.4Å; Y273-L315 HydrophobicContact CG-CB 3.66Å; Y273-N361 HydrophobicContact CE1-CB 3.85Å
274	S	93.2	Very high	93.2	Very high	91 Å²	91	28.6 Å²	28.6	64%	0.636	16%	0.158	S	C	*	.	S	Bend	trans	-72.9	-23.4	-179.9	59.6	0	0	0	0	113	D313	S274-D313 PolarHBondContact N-O 2.93Å; S274-D313 PolarHBondContact OG-O 2.83Å
275	S	94.4	Very high	92.1	Very high	36 Å²	36	32.4 Å²	32.4	25%	0.252	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.1	170.6	58.2	0	0	0	0	110.8	Y273 Y308 H314 L315	Y273-S275 VanDerWaalsContact C-N 3.29Å; Y273-S275 PolarHBondContact O-N 3.43Å; S275-Y308 PolarHBondContact OG-OH 3.36Å; S275-H314 CarbonylContact O-C 3.54Å; S275-H314 WeakPolarHBondContact O-CA 3.36Å; S275-H314 PolarHBondContact OG-CE1 2.81Å; S275-H314 PolarHBondContact OG-ND1 3.1Å; S275-L315 PolarHBondContact O-N 2.97Å
276	A	97.3	Very high	90.9	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147	177	0	0	0	0	0	110.6	L196 A266 L315	L196-A276 HydrophobicContact CB-CB 3.95Å; L196-A276 HydrophobicContact CD1-CB 4.5Å; L196-A276 PolarHBondContact N-O 2.89Å; A266-A276 HydrophobicContact CB-CB 3.62Å; A276-L315 CarbonylContact C-O 3.53Å; A276-L315 VanDerWaalsContact CA-O 3.23Å; A276-L315 WeakPolarHBondContact CA-O 3.43Å; A276-L315 HydrophobicContact CB-CB 3.99Å; A276-L315 HydrophobicContact CB-CD2 4.34Å; A276-L315 HydrophobicContact CB-CG 4.43Å
277	Q	96.4	Very high	89.6	Confident	30 Å²	30	32.8 Å²	32.8	14%	0.14	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.8	176.7	-73.9	-177.9	8.7	0	0	111.4	T193 W194 L195 Y308 L315 C317	T193-Q277 HydrophobicContact CG2-CB 4.47Å; T193-Q277 HydrophobicContact CG2-CG 4.46Å; W194-Q277 CarbonylContact O-C 3.56Å; W194-Q277 VanDerWaalsContact O-CA 3.27Å; W194-Q277 WeakPolarHBondContact O-CA 3.43Å; L195-Q277 HydrophobicContact CD2-CG 3.87Å; Q277-Y308 HydrophobicContact CB-CE1 4.14Å; Q277-Y308 VanDerWaalsContact CD-CZ 3.49Å; Q277-Y308 HydrophobicContact CG-CE1 3.91Å; Q277-L315 PolarHBondContact N-O 3.31Å; Q277-C317 PolarHBondContact O-N 2.83Å
278	L	97.8	Very high	88.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.6	161.7	173.9	72.4	0	0	0	108.3	T193 W194 L196 M201 R259 A262 C317 L319	T193-L278 CarbonylContact C-O 3.55Å; T193-L278 VanDerWaalsContact CA-O 3.3Å; T193-L278 WeakPolarHBondContact CA-O 3.45Å; W194-L278 HydrophobicContact CB-CB 4.41Å; W194-L278 HydrophobicContact CD2-CD2 4.29Å; W194-L278 HydrophobicContact CE3-CB 4.26Å; W194-L278 HydrophobicContact CE3-CD2 3.68Å; W194-L278 HydrophobicContact CE3-CG 3.94Å; W194-L278 HydrophobicContact CZ3-CD2 3.99Å; W194-L278 HydrophobicContact CZ3-CG 4.33Å; W194-L278 PolarHBondContact N-O 3.18Å; W194-L278 PolarHBondContact O-N 2.75Å; L196-L278 HydrophobicContact CD1-CB 3.99Å; L196-L278 HydrophobicContact CD2-CB 4.37Å; L196-L278 HydrophobicContact CG-CB 4.31Å; M201-L278 HydrophobicContact CE-CD2 3.47Å; M201-L278 VanDerWaalsContact CE-CD2 3.47Å; M201-L278 HydrophobicContact SD-CD2 4.39Å; R259-L278 HydrophobicContact CB-CD2 4.33Å; R259-L278 HydrophobicContact CG-CD2 3.77Å; A262-L278 HydrophobicContact CB-CB 4.49Å; A262-L278 HydrophobicContact CB-CD1 3.98Å; L278-C317 WeakPolarHBondContact CA-O 3.2Å; L278-C317 HydrophobicContact CD1-CB 4.03Å; L278-C317 WeakPolarHBondContact CD1-O 3.06Å; L278-L319 HydrophobicContact CD1-CB 3.86Å
279	I	95.5	Very high	86.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.2	171.6	-55	179.4	0	0	0	107.2	T193 I281 I305 V316 C317 L318 L319	T193-I279 HydrophobicContact CG2-CG1 4.07Å; I279-I281 HydrophobicContact CG2-CG1 4.4Å; I279-I305 HydrophobicContact CD1-CB 4.37Å; I279-I305 HydrophobicContact CD1-CD1 4.16Å; I279-I305 HydrophobicContact CD1-CG1 3.72Å; I279-I305 HydrophobicContact CD1-CG2 4.08Å; I279-I305 HydrophobicContact CG2-CD1 4.11Å; I279-V316 HydrophobicContact CD1-CG1 3.97Å; I279-V316 HydrophobicContact CG1-CG1 4.28Å; I279-C317 PolarHBondContact N-O 3.01Å; I279-L318 HydrophobicContact CB-CD1 3.9Å; I279-L318 HydrophobicContact CG2-CD1 3.95Å; I279-L318 CarbonylContact O-C 3.59Å; I279-L318 WeakPolarHBondContact O-CA 3.45Å; I279-L318 WeakPolarHBondContact O-CD1 3.33Å; I279-L319 PolarHBondContact O-N 3.43Å
280	E	95	Very high	84.8	Confident	17 Å²	17	40.8 Å²	40.8	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.3	177.4	-176.1	178.1	151.7	0	0	111	G191 T192 W194 R259 L319	G191-E280 CarbonylContact C-O 3.33Å; G191-E280 WeakPolarHBondContact CA-O 3.34Å; T192-E280 PolarHBondContact N-O 2.79Å; T192-E280 PolarHBondContact O-N 3.2Å; W194-E280 HydrophobicContact CH2-CB 3.9Å; W194-E280 VanDerWaalsContact CH2-OE2 3.28Å; W194-E280 WeakPolarHBondContact CH2-OE2 3.31Å; W194-E280 HydrophobicContact CZ3-CB 3.44Å; W194-E280 VanDerWaalsContact CZ3-CB 3.44Å; R259-E280 IonicContact CZ-OE1 2.72Å; R259-E280 IonicContact CZ-OE2 3.39Å; R259-E280 IonicContact NE-OE2 2.82Å; R259-E280 PolarHBondContact NE-OE2 2.95Å; R259-E280 IonicContact NH2-OE1 2.72Å; R259-E280 PolarHBondContact NH2-OE1 3.39Å; R259-E280 IonicContact NH2-OE2 2.7Å; R259-E280 PolarHBondContact NH2-OE2 3.15Å; E280-L319 CarbonylContact C-O 3.58Å; E280-L319 WeakPolarHBondContact CA-O 3.47Å; E280-L319 HydrophobicContact CB-CB 4.29Å; E280-L319 HydrophobicContact CB-CD2 4.39Å; E280-L319 HydrophobicContact CG-CB 4.33Å; E280-L319 HydrophobicContact CG-CD2 3.9Å; E280-L319 HydrophobicContact CG-CG 4.02Å
281	I	91.8	Very high	83	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.8	178.6	-62.4	168.1	0	0	0	107.4	I279 L286 M301 F302 I305 L318 L319 I320 D321	I279-I281 HydrophobicContact CG2-CG1 4.4Å; I281-L286 HydrophobicContact CG2-CD1 3.15Å; I281-L286 HydrophobicContact CG2-CD2 4.46Å; I281-L286 HydrophobicContact CG2-CG 3.78Å; I281-M301 HydrophobicContact CD1-CE 3.4Å; I281-M301 HydrophobicContact CD1-SD 4.16Å; I281-M301 HydrophobicContact CG1-CE 4.03Å; I281-M301 HydrophobicContact CG1-SD 4.24Å; I281-M301 HydrophobicContact CG2-CE 4.29Å; I281-F302 HydrophobicContact CD1-CE2 4.27Å; I281-F302 HydrophobicContact CD1-CZ 4.12Å; I281-I305 HydrophobicContact CD1-CD1 4.36Å; I281-L318 HydrophobicContact CD1-CD1 3.53Å; I281-L318 HydrophobicContact CD1-CD2 4.48Å; I281-L318 HydrophobicContact CD1-CG 4.39Å; I281-L318 HydrophobicContact CG1-CD1 4.2Å; I281-L319 PolarHBondContact N-O 3.36Å; I281-I320 WeakPolarHBondContact O-CA 3.42Å; I281-D321 PolarHBondContact O-N 2.8Å
282	N	85.6	Confident	81.5	Confident	35 Å²	35	41 Å²	41	19%	0.187	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.5	170.7	-179.1	-61.3	0	0	0	109.9	M284 N285 L286 E322	N282-M284 PolarHBondContact O-N 3.1Å; N282-M284 WeakPolarHBondContact OD1-CA 3.45Å; N282-M284 WeakPolarHBondContact OD1-CB 3.32Å; N282-M284 PolarHBondContact OD1-N 2.95Å; N282-N285 HydrophobicContact CB-CB 4.31Å; N282-N285 PolarHBondContact O-N 2.8Å; N282-N285 PolarHBondContact OD1-N 3.25Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 VanDerWaalsContact O-N 3.12Å; N282-E322 PolarHBondContact ND2-OE2 2.93Å
283	T	80.7	Confident	80.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-28.5	-176.2	49	0	0	0	0	113.8	L286 M287 I320 D321 E322 S325 L326	T283-L286 WeakPolarHBondContact O-CB 3.31Å; T283-L286 PolarHBondContact O-N 2.95Å; T283-M287 VanDerWaalsContact O-CG 3.31Å; T283-M287 WeakPolarHBondContact O-CG 3.47Å; T283-M287 PolarHBondContact O-N 3.47Å; T283-I320 HydrophobicContact CG2-CG2 3.42Å; T283-I320 VanDerWaalsContact CG2-CG2 3.42Å; T283-D321 PolarHBondContact N-O 3.48Å; T283-D321 PolarHBondContact OG1-O 3.44Å; T283-E322 PolarHBondContact OG1-O 3.45Å; T283-S325 WeakPolarHBondContact CB-OG 3.43Å; T283-S325 PolarHBondContact OG1-OG 2.62Å; T283-L326 HydrophobicContact CG2-CD1 4.11Å; T283-L326 HydrophobicContact CG2-CD2 4.02Å; T283-L326 HydrophobicContact CG2-CG 4.03Å
284	M	74.6	Confident	78.8	Confident	84 Å²	84	41.1 Å²	41.1	41%	0.414	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-38.4	173.6	-63.5	-92.2	59.6	0	0	112.5	N282 L286 M287 S288 E322	N282-M284 PolarHBondContact O-N 3.1Å; N282-M284 WeakPolarHBondContact OD1-CA 3.45Å; N282-M284 WeakPolarHBondContact OD1-CB 3.32Å; N282-M284 PolarHBondContact OD1-N 2.95Å; M284-L286 VanDerWaalsContact C-N 3.32Å; M284-M287 PolarHBondContact O-N 2.84Å; M284-S288 WeakPolarHBondContact O-CB 3.35Å; M284-S288 PolarHBondContact O-N 3.26Å; M284-S288 VanDerWaalsContact O-N 3.09Å; M284-S288 PolarHBondContact O-OG 3.01Å; M284-E322 HydrophobicContact CG-CB 4.37Å; M284-E322 WeakPolarHBondContact CG-OE2 3.37Å
285	N	71.9	Confident	77.9	Confident	86 Å²	86	38.4 Å²	38.4	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-66.6	-36.1	173.3	-69.3	-18.9	0	0	0	111.6	N282 S288 W290	N282-N285 HydrophobicContact CB-CB 4.31Å; N282-N285 PolarHBondContact O-N 2.8Å; N282-N285 PolarHBondContact OD1-N 3.25Å; N285-S288 PolarHBondContact O-OG 2.73Å; N285-W290 PolarHBondContact O-NE1 2.71Å
286	L	72.9	Confident	77.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-28.2	174.1	-78.1	-177.6	0	0	0	114.5	I281 N282 T283 M284 V298 V349	I281-L286 HydrophobicContact CG2-CD1 3.15Å; I281-L286 HydrophobicContact CG2-CD2 4.46Å; I281-L286 HydrophobicContact CG2-CG 3.78Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 VanDerWaalsContact O-N 3.12Å; T283-L286 WeakPolarHBondContact O-CB 3.31Å; T283-L286 PolarHBondContact O-N 2.95Å; M284-L286 VanDerWaalsContact C-N 3.32Å; L286-V298 HydrophobicContact CD2-CG2 4.48Å; L286-V349 HydrophobicContact CD1-CG2 4.41Å
287	M	69.3	Low	76.3	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-86.6	-39.2	179.5	-65.4	-60.1	122.9	0	0	112	T283 M284 F291 L326 V329 V345 V346	T283-M287 VanDerWaalsContact O-CG 3.31Å; T283-M287 WeakPolarHBondContact O-CG 3.47Å; T283-M287 PolarHBondContact O-N 3.47Å; M284-M287 PolarHBondContact O-N 2.84Å; M287-F291 WeakPolarHBondContact O-CD2 3.36Å; M287-L326 HydrophobicContact CE-CD2 3.71Å; M287-V329 HydrophobicContact CB-CG2 4.47Å; M287-V329 HydrophobicContact CG-CG2 4.03Å; M287-V329 HydrophobicContact SD-CG2 4.19Å; M287-V345 HydrophobicContact CE-CB 3.86Å; M287-V345 HydrophobicContact CE-CG1 3.4Å; M287-V345 VanDerWaalsContact CE-CG1 3.4Å; M287-V345 HydrophobicContact SD-CB 4.06Å; M287-V345 HydrophobicContact SD-CG1 4.15Å; M287-V346 HydrophobicContact CE-CG2 4.41Å; M287-V346 HydrophobicContact SD-CG2 4.15Å
288	S	66.2	Low	75.7	Confident	82 Å²	82	41.5 Å²	41.5	57%	0.573	22%	0.217	S	C	*	.	H	α-helix	trans	-70.7	-36	-171.9	53.8	0	0	0	0	114.8	M284 N285	M284-S288 WeakPolarHBondContact O-CB 3.35Å; M284-S288 PolarHBondContact O-N 3.26Å; M284-S288 VanDerWaalsContact O-N 3.09Å; M284-S288 PolarHBondContact O-OG 3.01Å; N285-S288 PolarHBondContact O-OG 2.73Å
289	K	59.7	Low	75.2	Confident	120 Å²	120	43.5 Å²	43.5	52%	0.522	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.4	-172.7	-63.9	-176.2	-179.2	178.9	0	115.1	I188	I188-K289 HydrophobicContact CG2-CB 4.24Å; I188-K289 HydrophobicContact CG2-CD 3.79Å
290	W	60.8	Low	74.7	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.027	25%	0.249	C	C	.	.			trans	-127.6	24.9	-155.4	-52.7	84.7	0	0	0	115.1	I181 I188 N285 S292 S294 L297	I181-W290 HydrophobicContact CB-CH2 4.25Å; I181-W290 HydrophobicContact CD1-CH2 3.91Å; I188-W290 HydrophobicContact CB-CH2 3.43Å; I188-W290 VanDerWaalsContact CB-CH2 3.43Å; I188-W290 HydrophobicContact CB-CZ2 3.72Å; I188-W290 HydrophobicContact CB-CZ3 3.94Å; I188-W290 HydrophobicContact CD1-CD2 4.41Å; I188-W290 HydrophobicContact CD1-CE3 3.79Å; I188-W290 HydrophobicContact CD1-CH2 3.92Å; I188-W290 HydrophobicContact CD1-CZ3 3.46Å; I188-W290 VanDerWaalsContact CD1-CZ3 3.46Å; I188-W290 HydrophobicContact CG1-CH2 4.26Å; I188-W290 HydrophobicContact CG1-CZ3 4.28Å; I188-W290 HydrophobicContact CG2-CD2 4.29Å; I188-W290 HydrophobicContact CG2-CE3 4.5Å; I188-W290 HydrophobicContact CG2-CH2 3.45Å; I188-W290 VanDerWaalsContact CG2-CH2 3.45Å; I188-W290 HydrophobicContact CG2-CZ2 3.15Å; I188-W290 HydrophobicContact CG2-CZ3 4.07Å; N285-W290 PolarHBondContact O-NE1 2.71Å; W290-S292 PolarHBondContact O-N 2.81Å; W290-S294 VanDerWaalsContact CB-CB 3.43Å; W290-S294 WeakPolarHBondContact O-CA 3.31Å; W290-S294 WeakPolarHBondContact O-CB 3.49Å; W290-S294 PolarHBondContact O-N 2.93Å; W290-S294 VanDerWaalsContact O-N 3.09Å; W290-S294 PolarHBondContact O-OG 2.9Å; W290-L297 HydrophobicContact CE3-CB 3.55Å; W290-L297 HydrophobicContact CE3-CD1 3.34Å; W290-L297 HydrophobicContact CE3-CG 3.93Å; W290-L297 HydrophobicContact CH2-CB 3.92Å; W290-L297 HydrophobicContact CZ3-CB 3.14Å; W290-L297 HydrophobicContact CZ3-CD1 3.28Å; W290-L297 HydrophobicContact CZ3-CD2 3.87Å; W290-L297 HydrophobicContact CZ3-CG 3.5Å
291	F	57.1	Low	74.3	Confident	70 Å²	70	47.3 Å²	47.3	31%	0.307	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	13	-165.7	-114.7	-85.4	0	0	0	118.4	M287 E338 P339 D341 A342	M287-F291 WeakPolarHBondContact O-CD2 3.36Å; F291-E338 HydrophobicContact CZ-CG 3.9Å; F291-P339 HydrophobicContact CD1-CB 4.09Å; F291-P339 HydrophobicContact CD1-CG 3.86Å; F291-P339 HydrophobicContact CE1-CB 3.74Å; F291-P339 VanDerWaalsContact CE1-CD 3.5Å; F291-P339 HydrophobicContact CE1-CG 3.48Å; F291-P339 VanDerWaalsContact CE1-CG 3.48Å; F291-P339 HydrophobicContact CZ-CG 4.46Å; F291-D341 HydrophobicContact CD1-CB 4.47Å; F291-A342 HydrophobicContact CE1-CB 3.54Å; F291-A342 HydrophobicContact CE2-CB 4.19Å; F291-A342 HydrophobicContact CZ-CB 3.26Å
292	S	61.6	Low	74.3	Confident	104 Å²	104	47.2 Å²	47.2	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.8	-27.2	167.1	80.4	0	0	0	0	116.1	W290	W290-S292 PolarHBondContact O-N 2.81Å
293	E	64.8	Low	74.6	Confident	75 Å²	75	48.9 Å²	48.9	35%	0.35	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	0.9	176.7	-82.4	-135.8	-161.1	0	0	114.9	F183 A295 R296 L297	F183-E293 HydrophobicContact CE2-CB 4.43Å; F183-E293 HydrophobicContact CE2-CG 4.27Å; F183-E293 WeakPolarHBondContact CE2-OE2 3.4Å; F183-E293 HydrophobicContact CZ-CB 4.25Å; F183-E293 HydrophobicContact CZ-CG 3.91Å; F183-E293 VanDerWaalsContact CZ-OE1 3.29Å; F183-E293 WeakPolarHBondContact CZ-OE1 3.2Å; F183-E293 WeakPolarHBondContact CZ-OE2 3.5Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 3.38Å; E293-A295 VanDerWaalsContact O-N 3.14Å; E293-R296 PolarHBondContact O-N 3.36Å; E293-R296 IonicContact OE2-CZ 3.83Å; E293-R296 IonicContact OE2-NE 2.82Å; E293-R296 PolarHBondContact OE2-NE 2.99Å; E293-R296 IonicContact OE2-NH2 3.22Å; E293-R296 PolarHBondContact OE2-NH2 3.32Å; E293-L297 HydrophobicContact CB-CD1 3.88Å; E293-L297 PolarHBondContact O-N 2.75Å
294	S	68.5	Low	74.9	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-36.3	-53.2	177.7	28.8	0	0	0	0	116.2	W290 R296 L297 V298 V345	W290-S294 VanDerWaalsContact CB-CB 3.43Å; W290-S294 WeakPolarHBondContact O-CA 3.31Å; W290-S294 WeakPolarHBondContact O-CB 3.49Å; W290-S294 PolarHBondContact O-N 2.93Å; W290-S294 VanDerWaalsContact O-N 3.09Å; W290-S294 PolarHBondContact O-OG 2.9Å; S294-R296 PolarHBondContact O-N 3.44Å; S294-L297 PolarHBondContact O-N 2.79Å; S294-L297 VanDerWaalsContact O-N 3.08Å; S294-V298 WeakPolarHBondContact O-CG2 3.49Å; S294-V298 PolarHBondContact O-N 3.39Å; S294-V345 WeakPolarHBondContact OG-CG2 3.49Å
295	A	74.7	Confident	75.8	Confident	34 Å²	34	46.7 Å²	46.7	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-33.3	-169.4	0	0	0	0	0	112.4	E293 T299 S348	E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 3.38Å; E293-A295 VanDerWaalsContact O-N 3.14Å; A295-T299 PolarHBondContact O-N 2.89Å; A295-T299 PolarHBondContact O-OG1 3.41Å; A295-S348 PolarHBondContact O-OG 3.09Å
296	R	79.8	Confident	76.9	Confident	130 Å²	130	43.9 Å²	43.9	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-73.7	-38.2	176.7	-172.1	171.8	72.6	139.8	-4.8	111.5	E293 S294 T299 K300	E293-R296 PolarHBondContact O-N 3.36Å; E293-R296 IonicContact OE2-CZ 3.83Å; E293-R296 IonicContact OE2-NE 2.82Å; E293-R296 PolarHBondContact OE2-NE 2.99Å; E293-R296 IonicContact OE2-NH2 3.22Å; E293-R296 PolarHBondContact OE2-NH2 3.32Å; S294-R296 PolarHBondContact O-N 3.44Å; R296-T299 WeakPolarHBondContact O-CB 3.31Å; R296-T299 PolarHBondContact O-N 3.44Å; R296-K300 PolarHBondContact O-N 2.94Å
297	L	78.5	Confident	77.8	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-75.1	-38.1	-176.5	-66.8	149.1	0	0	0	111.2	I181 F183 W290 E293 S294 T299 K300 M301	I181-L297 HydrophobicContact CG2-CD2 3.48Å; I181-L297 VanDerWaalsContact CG2-CD2 3.48Å; F183-L297 HydrophobicContact CB-CD2 4.15Å; F183-L297 HydrophobicContact CD2-CD1 4.07Å; F183-L297 HydrophobicContact CD2-CD2 4.01Å; F183-L297 HydrophobicContact CG-CD1 4.22Å; F183-L297 HydrophobicContact CG-CD2 4.35Å; W290-L297 HydrophobicContact CE3-CB 3.55Å; W290-L297 HydrophobicContact CE3-CD1 3.34Å; W290-L297 HydrophobicContact CE3-CG 3.93Å; W290-L297 HydrophobicContact CH2-CB 3.92Å; W290-L297 HydrophobicContact CZ3-CB 3.14Å; W290-L297 HydrophobicContact CZ3-CD1 3.28Å; W290-L297 HydrophobicContact CZ3-CD2 3.87Å; W290-L297 HydrophobicContact CZ3-CG 3.5Å; E293-L297 HydrophobicContact CB-CD1 3.88Å; E293-L297 PolarHBondContact O-N 2.75Å; S294-L297 PolarHBondContact O-N 2.79Å; S294-L297 VanDerWaalsContact O-N 3.08Å; L297-T299 VanDerWaalsContact C-N 3.31Å; L297-T299 PolarHBondContact O-N 2.82Å; L297-K300 PolarHBondContact O-N 3.33Å; L297-M301 PolarHBondContact O-N 2.99Å
298	V	83.5	Confident	78.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-48.5	165.9	170.8	0	0	0	0	110.1	L286 S294 K300 M301 F302 V345 V349 Q352	L286-V298 HydrophobicContact CD2-CG2 4.48Å; S294-V298 WeakPolarHBondContact O-CG2 3.49Å; S294-V298 PolarHBondContact O-N 3.39Å; V298-K300 PolarHBondContact O-N 2.87Å; V298-M301 WeakPolarHBondContact O-CB 3.33Å; V298-M301 PolarHBondContact O-N 3.25Å; V298-F302 HydrophobicContact CG1-CD2 3.87Å; V298-F302 HydrophobicContact CG1-CE2 3.94Å; V298-F302 VanDerWaalsContact O-CD2 3.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.44Å; V298-F302 PolarHBondContact O-N 3.05Å; V298-V345 HydrophobicContact CG2-CG1 3.93Å; V298-V349 HydrophobicContact CG1-CG2 3.73Å; V298-V349 HydrophobicContact CG2-CG2 4.14Å; V298-Q352 HydrophobicContact CG1-CG 4.22Å
299	T	86.6	Confident	80.2	Confident	43 Å²	43	48.3 Å²	48.3	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-48.8	177.5	-59.2	0	0	0	0	111.8	A295 R296 L297 M301 F302 D303 Q352	A295-T299 PolarHBondContact O-N 2.89Å; A295-T299 PolarHBondContact O-OG1 3.41Å; R296-T299 WeakPolarHBondContact O-CB 3.31Å; R296-T299 PolarHBondContact O-N 3.44Å; L297-T299 VanDerWaalsContact C-N 3.31Å; L297-T299 PolarHBondContact O-N 2.82Å; T299-M301 PolarHBondContact O-N 2.8Å; T299-F302 PolarHBondContact O-N 2.82Å; T299-D303 WeakPolarHBondContact CG2-OD2 3.5Å; T299-D303 PolarHBondContact O-N 2.77Å; T299-Q352 PolarHBondContact OG1-NE2 2.73Å
300	K	85.4	Confident	81.9	Confident	94 Å²	94	49.5 Å²	49.5	41%	0.409	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-43.5	177.6	-76.4	-173.3	174.6	-169.9	0	113.5	R296 L297 V298 D303 G304	R296-K300 PolarHBondContact O-N 2.94Å; L297-K300 PolarHBondContact O-N 3.33Å; V298-K300 PolarHBondContact O-N 2.87Å; K300-D303 PolarHBondContact O-N 2.8Å; K300-G304 PolarHBondContact O-N 3.27Å; K300-G304 VanDerWaalsContact O-N 3.13Å
301	M	86.9	Confident	83.5	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-52	176.9	-172.6	-177.1	66.7	0	0	110.7	I181 G190 I281 L297 V298 T299 D303 G304 I305	I181-M301 HydrophobicContact CD1-CB 3.67Å; I181-M301 HydrophobicContact CD1-CG 4.09Å; I181-M301 HydrophobicContact CD1-SD 4.42Å; G190-M301 VanDerWaalsContact C-SD 3.6Å; I281-M301 HydrophobicContact CD1-CE 3.4Å; I281-M301 HydrophobicContact CD1-SD 4.16Å; I281-M301 HydrophobicContact CG1-CE 4.03Å; I281-M301 HydrophobicContact CG1-SD 4.24Å; I281-M301 HydrophobicContact CG2-CE 4.29Å; L297-M301 PolarHBondContact O-N 2.99Å; V298-M301 WeakPolarHBondContact O-CB 3.33Å; V298-M301 PolarHBondContact O-N 3.25Å; T299-M301 PolarHBondContact O-N 2.8Å; M301-D303 PolarHBondContact O-N 3.46Å; M301-G304 PolarHBondContact O-N 2.81Å; M301-G304 VanDerWaalsContact O-N 3.14Å; M301-I305 WeakPolarHBondContact O-CG1 3.35Å; M301-I305 PolarHBondContact O-N 3.21Å; M301-I305 VanDerWaalsContact O-N 3.16Å
302	F	91.4	Very high	85.3	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-25.7	179.1	-83.6	-93.6	0	0	0	113	I281 V298 T299 I305 K306 L318 Q352 I353 I356	I281-F302 HydrophobicContact CD1-CE2 4.27Å; I281-F302 HydrophobicContact CD1-CZ 4.12Å; V298-F302 HydrophobicContact CG1-CD2 3.87Å; V298-F302 HydrophobicContact CG1-CE2 3.94Å; V298-F302 VanDerWaalsContact O-CD2 3.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.44Å; V298-F302 PolarHBondContact O-N 3.05Å; T299-F302 PolarHBondContact O-N 2.82Å; F302-I305 HydrophobicContact CD1-CD1 4.29Å; F302-I305 PolarHBondContact O-N 3.06Å; F302-K306 VanDerWaalsContact O-CG 3.25Å; F302-K306 WeakPolarHBondContact O-CG 3.3Å; F302-K306 PolarHBondContact O-N 2.86Å; F302-L318 HydrophobicContact CE1-CD2 3.74Å; F302-L318 HydrophobicContact CZ-CD2 4.21Å; F302-Q352 HydrophobicContact CB-CB 3.87Å; F302-Q352 HydrophobicContact CB-CG 3.88Å; F302-Q352 HydrophobicContact CD1-CB 3.55Å; F302-Q352 HydrophobicContact CD1-CG 4.45Å; F302-Q352 HydrophobicContact CD2-CB 3.68Å; F302-Q352 HydrophobicContact CD2-CG 3.9Å; F302-Q352 HydrophobicContact CE1-CB 3.87Å; F302-Q352 HydrophobicContact CE2-CB 4.01Å; F302-Q352 HydrophobicContact CG-CB 3.42Å; F302-Q352 VanDerWaalsContact CG-CB 3.42Å; F302-Q352 HydrophobicContact CG-CG 3.84Å; F302-Q352 HydrophobicContact CZ-CB 4.1Å; F302-I353 HydrophobicContact CE1-CG1 4.48Å; F302-I353 HydrophobicContact CZ-CG1 4.46Å; F302-I356 HydrophobicContact CD1-CD1 4.12Å; F302-I356 HydrophobicContact CD1-CG2 3.9Å; F302-I356 HydrophobicContact CE1-CD1 3.76Å; F302-I356 HydrophobicContact CE1-CG1 4.43Å
303	D	90.7	Very high	86.9	Confident	70 Å²	70	51 Å²	51	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-68.4	-38.2	172.8	-66.6	-23.2	0	0	0	111.5	T299 K300 M301 I305 K306 E307	T299-D303 WeakPolarHBondContact CG2-OD2 3.5Å; T299-D303 PolarHBondContact O-N 2.77Å; K300-D303 PolarHBondContact O-N 2.8Å; M301-D303 PolarHBondContact O-N 3.46Å; D303-I305 VanDerWaalsContact C-N 3.34Å; D303-I305 PolarHBondContact O-N 3.31Å; D303-K306 WeakPolarHBondContact O-CB 3.22Å; D303-K306 PolarHBondContact O-N 3.08Å; D303-K306 IonicContact OD1-NZ 3.68Å; D303-K306 PolarHBondContact OD1-NZ 3.46Å; D303-E307 PolarHBondContact O-N 3.28Å
304	G	88.7	Confident	88.4	Confident	36 Å²	36	49.4 Å²	49.4	37%	0.371	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-39.7	170.6	0	0	0	0	0	112.7	K300 M301 K306 E307 Y308	K300-G304 PolarHBondContact O-N 3.27Å; K300-G304 VanDerWaalsContact O-N 3.13Å; M301-G304 PolarHBondContact O-N 2.81Å; M301-G304 VanDerWaalsContact O-N 3.14Å; G304-K306 VanDerWaalsContact C-N 3.34Å; G304-K306 PolarHBondContact O-N 3.48Å; G304-E307 PolarHBondContact O-N 3.45Å; G304-Y308 PolarHBondContact O-N 3Å
305	I	92.6	Very high	89.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-42.2	173.1	-57.3	177.2	0	0	0	110.9	I279 I281 M301 F302 D303 Y308 L309 V316 L318	I279-I305 HydrophobicContact CD1-CB 4.37Å; I279-I305 HydrophobicContact CD1-CD1 4.16Å; I279-I305 HydrophobicContact CD1-CG1 3.72Å; I279-I305 HydrophobicContact CD1-CG2 4.08Å; I279-I305 HydrophobicContact CG2-CD1 4.11Å; I281-I305 HydrophobicContact CD1-CD1 4.36Å; M301-I305 WeakPolarHBondContact O-CG1 3.35Å; M301-I305 PolarHBondContact O-N 3.21Å; M301-I305 VanDerWaalsContact O-N 3.16Å; F302-I305 HydrophobicContact CD1-CD1 4.29Å; F302-I305 PolarHBondContact O-N 3.06Å; D303-I305 VanDerWaalsContact C-N 3.34Å; D303-I305 PolarHBondContact O-N 3.31Å; I305-Y308 PolarHBondContact O-N 3.44Å; I305-L309 HydrophobicContact CG2-CD1 4Å; I305-L309 WeakPolarHBondContact O-CG 3.33Å; I305-L309 PolarHBondContact O-N 2.87Å; I305-L309 VanDerWaalsContact O-N 3.09Å; I305-V316 HydrophobicContact CG2-CG1 4.24Å; I305-L318 HydrophobicContact CD1-CD1 3.89Å
306	K	94.8	Very high	90.9	Very high	26 Å²	26	47.7 Å²	47.7	11%	0.113	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-41.3	178.2	-73.6	169.4	-150.3	160.4	0	111.8	F302 D303 G304 Y308 L309 E310 I356 F359	F302-K306 VanDerWaalsContact O-CG 3.25Å; F302-K306 WeakPolarHBondContact O-CG 3.3Å; F302-K306 PolarHBondContact O-N 2.86Å; D303-K306 WeakPolarHBondContact O-CB 3.22Å; D303-K306 PolarHBondContact O-N 3.08Å; D303-K306 IonicContact OD1-NZ 3.68Å; D303-K306 PolarHBondContact OD1-NZ 3.46Å; G304-K306 VanDerWaalsContact C-N 3.34Å; G304-K306 PolarHBondContact O-N 3.48Å; K306-Y308 VanDerWaalsContact C-N 3.3Å; K306-Y308 PolarHBondContact O-N 3.21Å; K306-L309 CarbonylContact O-C 3.6Å; K306-L309 WeakPolarHBondContact O-CA 3.34Å; K306-L309 WeakPolarHBondContact O-CB 3.25Å; K306-L309 PolarHBondContact O-N 3.18Å; K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 3.25Å; K306-I356 HydrophobicContact CG-CG2 3.91Å; K306-F359 HydrophobicContact CB-CZ 4.33Å; K306-F359 HydrophobicContact CG-CE2 4.01Å; K306-F359 HydrophobicContact CG-CZ 4.29Å
307	E	92.4	Very high	91.7	Very high	143 Å²	143	41.5 Å²	41.5	67%	0.668	22%	0.216	S	C	*	.	H	α-helix	trans	-56.8	-45.8	178	-174.3	175.6	-179	0	0	110.9	D303 G304 L309 E310	D303-E307 PolarHBondContact O-N 3.28Å; G304-E307 PolarHBondContact O-N 3.45Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 2.91Å; E307-E310 WeakPolarHBondContact O-CB 3.49Å; E307-E310 PolarHBondContact O-N 3.14Å
308	Y	91.2	Very high	92.6	Very high	46 Å²	46	41.4 Å²	41.4	18%	0.18	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-33.1	175.1	-172.6	-103.4	0	0	0	112.8	S275 Q277 G304 I305 K306 E310 H314 V316	S275-Y308 PolarHBondContact OG-OH 3.36Å; Q277-Y308 HydrophobicContact CB-CE1 4.14Å; Q277-Y308 VanDerWaalsContact CD-CZ 3.49Å; Q277-Y308 HydrophobicContact CG-CE1 3.91Å; G304-Y308 PolarHBondContact O-N 3Å; I305-Y308 PolarHBondContact O-N 3.44Å; K306-Y308 VanDerWaalsContact C-N 3.3Å; K306-Y308 PolarHBondContact O-N 3.21Å; Y308-E310 VanDerWaalsContact C-N 3.32Å; Y308-E310 PolarHBondContact O-N 2.96Å; Y308-H314 HydrophobicContact CD1-CB 4.21Å; Y308-H314 AromaticContact CD2-CD2 3.99Å; Y308-H314 HydrophobicContact CE1-CB 3.62Å; Y308-H314 HydrophobicContact CE2-CB 4.33Å; Y308-H314 AromaticContact CE2-CD2 3.63Å; Y308-H314 AromaticContact CZ-CD2 3.88Å; Y308-H314 AromaticContact CZ-CG 3.77Å; Y308-V316 HydrophobicContact CD1-CG2 3.4Å; Y308-V316 VanDerWaalsContact CD1-CG2 3.4Å; Y308-V316 HydrophobicContact CE1-CG2 3.73Å
309	L	95.4	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-16.5	176.4	-76.6	168.9	0	0	0	114.5	I305 K306 E307 S311 V316 I356 F359 N361 V362	I305-L309 HydrophobicContact CG2-CD1 4Å; I305-L309 WeakPolarHBondContact O-CG 3.33Å; I305-L309 PolarHBondContact O-N 2.87Å; I305-L309 VanDerWaalsContact O-N 3.09Å; K306-L309 CarbonylContact O-C 3.6Å; K306-L309 WeakPolarHBondContact O-CA 3.34Å; K306-L309 WeakPolarHBondContact O-CB 3.25Å; K306-L309 PolarHBondContact O-N 3.18Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 2.91Å; L309-S311 PolarHBondContact O-N 2.78Å; L309-V316 HydrophobicContact CD2-CB 3.81Å; L309-V316 HydrophobicContact CD2-CG2 3.58Å; L309-V316 HydrophobicContact CG-CB 4.35Å; L309-V316 HydrophobicContact CG-CG2 3.89Å; L309-I356 HydrophobicContact CD1-CB 4.35Å; L309-I356 HydrophobicContact CD1-CG2 4.49Å; L309-F359 HydrophobicContact CB-CB 4.26Å; L309-F359 HydrophobicContact CB-CD1 3.77Å; L309-F359 HydrophobicContact CB-CE1 4.24Å; L309-F359 HydrophobicContact CB-CG 3.96Å; L309-F359 HydrophobicContact CD1-CB 4.22Å; L309-F359 HydrophobicContact CD1-CD2 4.31Å; L309-F359 HydrophobicContact CD1-CG 4.21Å; L309-F359 HydrophobicContact CD2-CB 4.35Å; L309-N361 WeakPolarHBondContact CD2-O 3.26Å; L309-N361 PolarHBondContact O-ND2 3.31Å; L309-N361 PolarHBondContact O-OD1 3.4Å; L309-V362 HydrophobicContact CD1-CB 4.2Å; L309-V362 HydrophobicContact CD1-CG2 4.2Å; L309-V362 HydrophobicContact CD2-CB 3.9Å; L309-V362 HydrophobicContact CD2-CG2 4.36Å
310	E	95.4	Very high	93.7	Very high	145 Å²	145	39.2 Å²	39.2	68%	0.678	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.2	179.2	-66.1	-170.8	161.8	0	0	112.2	K306 E307 Y308 N312	K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 3.25Å; E307-E310 WeakPolarHBondContact O-CB 3.49Å; E307-E310 PolarHBondContact O-N 3.14Å; Y308-E310 VanDerWaalsContact C-N 3.32Å; Y308-E310 PolarHBondContact O-N 2.96Å; E310-N312 PolarHBondContact O-N 2.93Å
311	S	94.5	Very high	94.1	Very high	41 Å²	41	35.3 Å²	35.3	29%	0.287	19%	0.185	S	C	.	.	S	Bend	trans	-80.8	111.7	170.6	176.2	0	0	0	0	110.4	L309 D313 H314 N361	L309-S311 PolarHBondContact O-N 2.78Å; S311-D313 PolarHBondContact O-N 3.25Å; S311-H314 WeakPolarHBondContact CB-CD2 3.47Å; S311-H314 WeakPolarHBondContact CB-NE2 3.34Å; S311-H314 PolarHBondContact O-N 2.89Å; S311-H314 VanDerWaalsContact O-N 3.16Å; S311-H314 PolarHBondContact OG-CD2 3.13Å; S311-H314 PolarHBondContact OG-NE2 3.28Å; S311-N361 PolarHBondContact O-ND2 3.28Å
312	N	93	Very high	94.3	Very high	85 Å²	85	37.9 Å²	37.9	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.5	178.6	-68.5	-46.7	0	0	0	114.1	R272 E310	R272-N312 PolarHBondContact NH1-O 3.11Å; R272-N312 VanDerWaalsContact NH1-O 3.09Å; R272-N312 PolarHBondContact NH2-O 3.47Å; E310-N312 PolarHBondContact O-N 2.93Å
313	D	95.5	Very high	94.3	Very high	86 Å²	86	37.9 Å²	37.9	46%	0.46	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.7	178.7	-62	-23.3	0	0	0	112.3	R272 Y273 S274 S311	R272-D313 IonicContact NH1-OD1 2.71Å; Y273-D313 CarbonylContact C-O 3.58Å; Y273-D313 VanDerWaalsContact CA-O 3.28Å; Y273-D313 WeakPolarHBondContact CA-O 3.37Å; S274-D313 PolarHBondContact N-O 2.93Å; S274-D313 PolarHBondContact OG-O 2.83Å; S311-D313 PolarHBondContact O-N 3.25Å
314	H	96.6	Very high	94.4	Very high	43 Å²	43	36 Å²	36	20%	0.199	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136	179.4	-57.3	-20.4	0	0	0	110.8	S275 Y308 S311 N361	S275-H314 CarbonylContact O-C 3.54Å; S275-H314 WeakPolarHBondContact O-CA 3.36Å; S275-H314 PolarHBondContact OG-CE1 2.81Å; S275-H314 PolarHBondContact OG-ND1 3.1Å; Y308-H314 HydrophobicContact CD1-CB 4.21Å; Y308-H314 AromaticContact CD2-CD2 3.99Å; Y308-H314 HydrophobicContact CE1-CB 3.62Å; Y308-H314 HydrophobicContact CE2-CB 4.33Å; Y308-H314 AromaticContact CE2-CD2 3.63Å; Y308-H314 AromaticContact CZ-CD2 3.88Å; Y308-H314 AromaticContact CZ-CG 3.77Å; S311-H314 WeakPolarHBondContact CB-CD2 3.47Å; S311-H314 WeakPolarHBondContact CB-NE2 3.34Å; S311-H314 PolarHBondContact O-N 2.89Å; S311-H314 VanDerWaalsContact O-N 3.16Å; S311-H314 PolarHBondContact OG-CD2 3.13Å; S311-H314 PolarHBondContact OG-NE2 3.28Å; H314-N361 WeakPolarHBondContact O-CB 3.12Å; H314-N361 PolarHBondContact O-ND2 2.98Å
315	L	97.7	Very high	94.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	173.5	173.9	63.1	0	0	0	110.7	L226 L265 Y273 S275 A276 Q277	L226-L315 HydrophobicContact CD1-CD1 3.71Å; L226-L315 HydrophobicContact CD1-CD2 4.36Å; L226-L315 HydrophobicContact CD2-CD1 3.97Å; L265-L315 HydrophobicContact CD2-CD2 4.15Å; L265-L315 HydrophobicContact CG-CD2 4.1Å; Y273-L315 HydrophobicContact CD1-CB 3.97Å; Y273-L315 HydrophobicContact CD2-CB 3.77Å; Y273-L315 HydrophobicContact CD2-CD2 4.05Å; Y273-L315 HydrophobicContact CD2-CG 4.33Å; Y273-L315 HydrophobicContact CE1-CB 4.36Å; Y273-L315 HydrophobicContact CE2-CB 4.15Å; Y273-L315 HydrophobicContact CE2-CD1 4.12Å; Y273-L315 HydrophobicContact CE2-CD2 4.25Å; Y273-L315 HydrophobicContact CE2-CG 4.4Å; Y273-L315 HydrophobicContact CG-CB 3.66Å; S275-L315 PolarHBondContact O-N 2.97Å; A276-L315 CarbonylContact C-O 3.53Å; A276-L315 VanDerWaalsContact CA-O 3.23Å; A276-L315 WeakPolarHBondContact CA-O 3.43Å; A276-L315 HydrophobicContact CB-CB 3.99Å; A276-L315 HydrophobicContact CB-CD2 4.34Å; A276-L315 HydrophobicContact CB-CG 4.43Å; Q277-L315 PolarHBondContact N-O 3.31Å
316	V	97.6	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.7	170.5	-178.1	0	0	0	0	110.7	I279 I305 Y308 L309 N361 V362 L363	I279-V316 HydrophobicContact CD1-CG1 3.97Å; I279-V316 HydrophobicContact CG1-CG1 4.28Å; I305-V316 HydrophobicContact CG2-CG1 4.24Å; Y308-V316 HydrophobicContact CD1-CG2 3.4Å; Y308-V316 VanDerWaalsContact CD1-CG2 3.4Å; Y308-V316 HydrophobicContact CE1-CG2 3.73Å; L309-V316 HydrophobicContact CD2-CB 3.81Å; L309-V316 HydrophobicContact CD2-CG2 3.58Å; L309-V316 HydrophobicContact CG-CB 4.35Å; L309-V316 HydrophobicContact CG-CG2 3.89Å; V316-N361 PolarHBondContact N-O 3.24Å; V316-V362 HydrophobicContact CB-CG2 4.27Å; V316-V362 HydrophobicContact CG1-CG2 4.45Å; V316-V362 CarbonylContact O-C 3.6Å; V316-V362 WeakPolarHBondContact O-CA 3.01Å; V316-L363 PolarHBondContact O-N 3.15Å
317	C	98.1	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111	163.4	-66.9	0	0	0	0	108.4	A262 Q277 L278 I279 L363	A262-C317 HydrophobicContact CB-CB 3.61Å; Q277-C317 PolarHBondContact O-N 2.83Å; L278-C317 WeakPolarHBondContact CA-O 3.2Å; L278-C317 HydrophobicContact CD1-CB 4.03Å; L278-C317 WeakPolarHBondContact CD1-O 3.06Å; I279-C317 PolarHBondContact N-O 3.01Å; C317-L363 CarbonylContact C-O 3.59Å; C317-L363 WeakPolarHBondContact CA-O 2.95Å
318	L	97.3	Very high	92.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.5	175.6	-175.6	67.4	0	0	0	109.9	I279 I281 F302 I305 I320 I356 L363 I364 L365	I279-L318 HydrophobicContact CB-CD1 3.9Å; I279-L318 HydrophobicContact CG2-CD1 3.95Å; I279-L318 CarbonylContact O-C 3.59Å; I279-L318 WeakPolarHBondContact O-CA 3.45Å; I279-L318 WeakPolarHBondContact O-CD1 3.33Å; I281-L318 HydrophobicContact CD1-CD1 3.53Å; I281-L318 HydrophobicContact CD1-CD2 4.48Å; I281-L318 HydrophobicContact CD1-CG 4.39Å; I281-L318 HydrophobicContact CG1-CD1 4.2Å; F302-L318 HydrophobicContact CE1-CD2 3.74Å; F302-L318 HydrophobicContact CZ-CD2 4.21Å; I305-L318 HydrophobicContact CD1-CD1 3.89Å; L318-I320 HydrophobicContact CD2-CD1 4.15Å; L318-I320 HydrophobicContact CD2-CG1 4.21Å; L318-I320 HydrophobicContact CG-CG1 4.17Å; L318-I356 HydrophobicContact CD2-CD1 3.27Å; L318-L363 PolarHBondContact N-O 3.45Å; L318-I364 HydrophobicContact CB-CG1 4.36Å; L318-I364 CarbonylContact O-C 3.52Å; L318-I364 WeakPolarHBondContact O-CA 3.42Å; L318-L365 PolarHBondContact O-N 3.34Å; L318-L365 VanDerWaalsContact O-O 3.11Å
319	L	97.3	Very high	92.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.3	173.7	175.5	56.2	0	0	0	110.9	T255 C258 R259 L278 I279 E280 I281 L365 T367	T255-L319 HydrophobicContact CG2-CD2 3.97Å; C258-L319 HydrophobicContact CB-CD1 3.6Å; C258-L319 HydrophobicContact CB-CD2 3.92Å; C258-L319 HydrophobicContact CB-CG 4.34Å; R259-L319 HydrophobicContact CG-CD2 4.19Å; L278-L319 HydrophobicContact CD1-CB 3.86Å; I279-L319 PolarHBondContact O-N 3.43Å; E280-L319 CarbonylContact C-O 3.58Å; E280-L319 WeakPolarHBondContact CA-O 3.47Å; E280-L319 HydrophobicContact CB-CB 4.29Å; E280-L319 HydrophobicContact CB-CD2 4.39Å; E280-L319 HydrophobicContact CG-CB 4.33Å; E280-L319 HydrophobicContact CG-CD2 3.9Å; E280-L319 HydrophobicContact CG-CG 4.02Å; I281-L319 PolarHBondContact N-O 3.36Å; L319-L365 CarbonylContact C-O 3.6Å; L319-L365 VanDerWaalsContact CA-O 3.31Å; L319-L365 WeakPolarHBondContact CA-O 3.45Å; L319-L365 HydrophobicContact CD1-CB 3.99Å; L319-T367 HydrophobicContact CD1-CG2 4.17Å
320	I	94.8	Very high	91.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	100.5	173.6	-50.5	-178	0	0	0	108.3	I281 T283 L318 V323 I353 I364 L365 A366 T367	I281-I320 WeakPolarHBondContact O-CA 3.42Å; T283-I320 HydrophobicContact CG2-CG2 3.42Å; T283-I320 VanDerWaalsContact CG2-CG2 3.42Å; L318-I320 HydrophobicContact CD2-CD1 4.15Å; L318-I320 HydrophobicContact CD2-CG1 4.21Å; L318-I320 HydrophobicContact CG-CG1 4.17Å; I320-V323 HydrophobicContact CB-CG1 4.18Å; I320-V323 HydrophobicContact CG2-CG1 3.68Å; I320-V323 WeakPolarHBondContact O-CG1 3.35Å; I320-I353 HydrophobicContact CD1-CD1 3.39Å; I320-I353 HydrophobicContact CD1-CG1 3.79Å; I320-I364 HydrophobicContact CD1-CG2 4.27Å; I320-L365 PolarHBondContact N-O 3.34Å; I320-A366 VanDerWaalsContact O-CA 3.31Å; I320-A366 WeakPolarHBondContact O-CA 3.45Å; I320-T367 PolarHBondContact O-N 3.1Å; I320-T367 VanDerWaalsContact O-N 3.13Å
321	D	93.4	Very high	90.4	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	149.7	-178.2	-153.7	-7.6	0	0	0	112.2	T255 I281 T283 T367	T255-D321 WeakPolarHBondContact CG2-OD2 3.39Å; T255-D321 PolarHBondContact OG1-OD2 2.84Å; I281-D321 PolarHBondContact O-N 2.8Å; T283-D321 PolarHBondContact N-O 3.48Å; T283-D321 PolarHBondContact OG1-O 3.44Å; D321-T367 VanDerWaalsContact CA-OG1 3.3Å; D321-T367 WeakPolarHBondContact CA-OG1 3.31Å; D321-T367 WeakPolarHBondContact OD1-CB 3.17Å; D321-T367 PolarHBondContact OD1-OG1 3.49Å
322	E	91.5	Very high	89.5	Confident	57 Å²	57	26.7 Å²	26.7	27%	0.266	15%	0.149	S	C	.	.			trans	58.9	42.8	176.1	-54.8	-176	143.1	0	0	114.9	N282 T283 M284 E324 S325 T367	N282-E322 PolarHBondContact ND2-OE2 2.93Å; T283-E322 PolarHBondContact OG1-O 3.45Å; M284-E322 HydrophobicContact CG-CB 4.37Å; M284-E322 WeakPolarHBondContact CG-OE2 3.37Å; E322-E324 VanDerWaalsContact C-OE2 3.22Å; E322-E324 WeakPolarHBondContact CA-OE2 3.46Å; E322-E324 PolarHBondContact O-N 2.82Å; E322-S325 WeakPolarHBondContact O-CB 3.1Å; E322-S325 PolarHBondContact O-N 3.11Å; E322-S325 PolarHBondContact O-OG 3.48Å; E322-T367 WeakPolarHBondContact CA-O 3.38Å; E322-T367 PolarHBondContact N-O 3.2Å; E322-T367 VanDerWaalsContact N-O 3.11Å
323	V	92.8	Very high	88.3	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.5	-175.7	-60.6	0	0	0	0	114.5	L245 I320 S325 L326 A366 T367 I374 F378	L245-V323 HydrophobicContact CD1-CG2 3.91Å; I320-V323 HydrophobicContact CB-CG1 4.18Å; I320-V323 HydrophobicContact CG2-CG1 3.68Å; I320-V323 WeakPolarHBondContact O-CG1 3.35Å; V323-S325 PolarHBondContact O-N 3Å; V323-L326 HydrophobicContact CB-CD1 4.47Å; V323-L326 WeakPolarHBondContact O-CB 3.13Å; V323-L326 PolarHBondContact O-N 3.45Å; V323-L326 VanDerWaalsContact O-N 3.17Å; V323-A366 HydrophobicContact CG1-CB 4.05Å; V323-T367 PolarHBondContact N-O 3.44Å; V323-I374 HydrophobicContact CG2-CG2 4.32Å; V323-F378 HydrophobicContact CG1-CE1 4.41Å; V323-F378 HydrophobicContact CG1-CE2 4.16Å; V323-F378 HydrophobicContact CG1-CZ 4.05Å; V323-F378 HydrophobicContact CG2-CD1 4.43Å; V323-F378 HydrophobicContact CG2-CE1 4.37Å
324	E	90.9	Very high	87.1	Confident	31 Å²	31	27.3 Å²	27.3	15%	0.145	15%	0.15	C	C	.	.	H	α-helix	trans	-54.5	-29.9	168.9	59.9	-88.8	-150.9	0	0	112.5	E322 L326 T327 A328 S368 N369 V370	E322-E324 VanDerWaalsContact C-OE2 3.22Å; E322-E324 WeakPolarHBondContact CA-OE2 3.46Å; E322-E324 PolarHBondContact O-N 2.82Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 2.47Å; E324-T327 WeakPolarHBondContact O-CA 3.3Å; E324-T327 WeakPolarHBondContact O-CB 3.24Å; E324-T327 PolarHBondContact O-N 2.8Å; E324-T327 PolarHBondContact O-OG1 2.95Å; E324-A328 PolarHBondContact O-N 3.18Å; E324-S368 WeakPolarHBondContact OE2-CA 3.49Å; E324-S368 VanDerWaalsContact OE2-CB 3.24Å; E324-S368 WeakPolarHBondContact OE2-CB 3.34Å; E324-S368 PolarHBondContact OE2-OG 2.78Å; E324-N369 VanDerWaalsContact CD-N 3.33Å; E324-N369 WeakPolarHBondContact OE1-CB 3.42Å; E324-N369 PolarHBondContact OE1-N 2.94Å; E324-N369 PolarHBondContact OE1-ND2 3.2Å; E324-N369 PolarHBondContact OE2-N 3.08Å; E324-N369 VanDerWaalsContact OE2-N 3.12Å; E324-V370 HydrophobicContact CB-CB 4.19Å; E324-V370 HydrophobicContact CB-CG2 3.65Å; E324-V370 HydrophobicContact CG-CG2 3.76Å
325	S	86	Confident	86.1	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-36.5	179.2	63.3	0	0	0	0	113.2	T283 E322 V323 T327 A328 V329	T283-S325 WeakPolarHBondContact CB-OG 3.43Å; T283-S325 PolarHBondContact OG1-OG 2.62Å; E322-S325 WeakPolarHBondContact O-CB 3.1Å; E322-S325 PolarHBondContact O-N 3.11Å; E322-S325 PolarHBondContact O-OG 3.48Å; V323-S325 PolarHBondContact O-N 3Å; S325-T327 PolarHBondContact O-N 2.84Å; S325-A328 PolarHBondContact O-N 3.17Å; S325-V329 WeakPolarHBondContact O-CG2 3.28Å; S325-V329 PolarHBondContact O-N 3.42Å
326	L	85.3	Confident	84.7	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-37.8	175.7	-56.6	177.6	0	0	0	110.3	T283 M287 V323 E324 R330 V346	T283-L326 HydrophobicContact CG2-CD1 4.11Å; T283-L326 HydrophobicContact CG2-CD2 4.02Å; T283-L326 HydrophobicContact CG2-CG 4.03Å; M287-L326 HydrophobicContact CE-CD2 3.71Å; V323-L326 HydrophobicContact CB-CD1 4.47Å; V323-L326 WeakPolarHBondContact O-CB 3.13Å; V323-L326 PolarHBondContact O-N 3.45Å; V323-L326 VanDerWaalsContact O-N 3.17Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 2.47Å; L326-R330 PolarHBondContact O-N 3.14Å; L326-R330 VanDerWaalsContact O-N 3.13Å; L326-V346 HydrophobicContact CB-CG1 4.11Å; L326-V346 HydrophobicContact CB-CG2 4.35Å; L326-V346 HydrophobicContact CD2-CG1 4.49Å; L326-V346 HydrophobicContact CD2-CG2 4.01Å
327	T	82.7	Confident	83	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-44.8	177.3	-41.8	0	0	0	0	110.9	E324 S325 V329 R330 T331 V373 D375	E324-T327 WeakPolarHBondContact O-CA 3.3Å; E324-T327 WeakPolarHBondContact O-CB 3.24Å; E324-T327 PolarHBondContact O-N 2.8Å; E324-T327 PolarHBondContact O-OG1 2.95Å; S325-T327 PolarHBondContact O-N 2.84Å; T327-V329 VanDerWaalsContact C-N 3.33Å; T327-V329 PolarHBondContact O-N 3.41Å; T327-R330 PolarHBondContact O-N 2.66Å; T327-T331 WeakPolarHBondContact O-CB 3.02Å; T327-T331 PolarHBondContact O-N 3.06Å; T327-T331 PolarHBondContact O-OG1 2.9Å; T327-V373 HydrophobicContact CG2-CG1 4.11Å; T327-D375 HydrophobicContact CG2-CB 4.28Å; T327-D375 WeakPolarHBondContact OG1-CB 3.38Å; T327-D375 PolarHBondContact OG1-N 3.27Å
328	A	80.9	Confident	81.2	Confident	58 Å²	58	41.1 Å²	41.1	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-46.9	178.1	0	0	0	0	0	110.8	E324 S325 R330 T331 S332	E324-A328 PolarHBondContact O-N 3.18Å; S325-A328 PolarHBondContact O-N 3.17Å; A328-R330 PolarHBondContact O-N 3.39Å; A328-T331 PolarHBondContact O-N 3.48Å; A328-S332 WeakPolarHBondContact O-CB 3.24Å; A328-S332 PolarHBondContact O-N 3.07Å; A328-S332 PolarHBondContact O-OG 3.31Å; A328-S332 VanDerWaalsContact O-OG 3.08Å
329	V	77.2	Confident	79.6	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-46.4	177.3	168.1	0	0	0	0	112.1	M287 S325 T327 S332 S333 A342 V346	M287-V329 HydrophobicContact CB-CG2 4.47Å; M287-V329 HydrophobicContact CG-CG2 4.03Å; M287-V329 HydrophobicContact SD-CG2 4.19Å; S325-V329 WeakPolarHBondContact O-CG2 3.28Å; S325-V329 PolarHBondContact O-N 3.42Å; T327-V329 VanDerWaalsContact C-N 3.33Å; T327-V329 PolarHBondContact O-N 3.41Å; V329-S332 PolarHBondContact O-OG 3.13Å; V329-S332 VanDerWaalsContact O-OG 3.1Å; V329-S333 VanDerWaalsContact O-CB 3.31Å; V329-S333 WeakPolarHBondContact O-CB 3.43Å; V329-S333 PolarHBondContact O-N 3.37Å; V329-S333 PolarHBondContact O-OG 2.81Å; V329-A342 HydrophobicContact CG1-CB 3.27Å; V329-V346 HydrophobicContact CB-CG2 4.18Å; V329-V346 HydrophobicContact CG1-CG2 3.84Å
330	R	76.8	Confident	78.4	Confident	49 Å²	49	48 Å²	48	19%	0.185	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-42.2	178.4	-86.3	179.4	162.8	177.7	-0.4	112.1	L326 T327 A328 M334 V346 N347 D375	L326-R330 PolarHBondContact O-N 3.14Å; L326-R330 VanDerWaalsContact O-N 3.13Å; T327-R330 PolarHBondContact O-N 2.66Å; A328-R330 PolarHBondContact O-N 3.39Å; R330-M334 WeakPolarHBondContact O-CG 3.5Å; R330-M334 PolarHBondContact O-N 3.11Å; R330-M334 VanDerWaalsContact O-N 3.1Å; R330-V346 HydrophobicContact CG-CG1 4.15Å; R330-N347 PolarHBondContact NH2-OD1 3.41Å; R330-D375 WeakPolarHBondContact CD-OD2 3.34Å; R330-D375 IonicContact CZ-OD1 3.85Å; R330-D375 IonicContact CZ-OD2 3.97Å; R330-D375 IonicContact NE-OD2 2.78Å; R330-D375 IonicContact NH1-OD1 2.86Å; R330-D375 PolarHBondContact NH1-OD1 3.46Å; R330-D375 IonicContact NH1-OD2 3.66Å; R330-D375 PolarHBondContact NH1-OD2 3.38Å
331	T	78.6	Confident	77.4	Confident	86 Å²	86	50.2 Å²	50.2	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-45.5	-179.8	-50.7	0	0	0	0	111.4	T327 A328 S333 M334 S335	T327-T331 WeakPolarHBondContact O-CB 3.02Å; T327-T331 PolarHBondContact O-N 3.06Å; T327-T331 PolarHBondContact O-OG1 2.9Å; A328-T331 PolarHBondContact O-N 3.48Å; T331-S333 VanDerWaalsContact C-N 3.32Å; T331-S333 PolarHBondContact O-N 3.42Å; T331-M334 PolarHBondContact O-N 3.38Å; T331-S335 PolarHBondContact O-N 3.11Å; T331-S335 PolarHBondContact O-OG 3.24Å
332	S	74.6	Confident	76.5	Confident	24 Å²	24	49.7 Å²	49.7	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-35	179.2	62.4	0	0	0	0	112.6	A328 V329 S335 G336 C337 E338	A328-S332 WeakPolarHBondContact O-CB 3.24Å; A328-S332 PolarHBondContact O-N 3.07Å; A328-S332 PolarHBondContact O-OG 3.31Å; A328-S332 VanDerWaalsContact O-OG 3.08Å; V329-S332 PolarHBondContact O-OG 3.13Å; V329-S332 VanDerWaalsContact O-OG 3.1Å; S332-S335 VanDerWaalsContact C-OG 3.3Å; S332-S335 WeakPolarHBondContact CA-OG 3.42Å; S332-S335 PolarHBondContact O-N 3.03Å; S332-S335 PolarHBondContact O-OG 3.17Å; S332-G336 PolarHBondContact O-N 3.11Å; S332-C337 PolarHBondContact O-N 3.35Å; S332-C337 VanDerWaalsContact O-N 3.07Å; S332-E338 WeakPolarHBondContact CB-OE2 3.42Å; S332-E338 WeakPolarHBondContact OG-CB 3.46Å; S332-E338 PolarHBondContact OG-OE2 3.18Å
333	S	69.2	Low	76	Confident	15 Å²	15	49.4 Å²	49.4	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-39.5	174.5	-54.8	0	0	0	0	112.6	V329 T331 S335 G336 E338 I343	V329-S333 VanDerWaalsContact O-CB 3.31Å; V329-S333 WeakPolarHBondContact O-CB 3.43Å; V329-S333 PolarHBondContact O-N 3.37Å; V329-S333 PolarHBondContact O-OG 2.81Å; T331-S333 VanDerWaalsContact C-N 3.32Å; T331-S333 PolarHBondContact O-N 3.42Å; S333-S335 PolarHBondContact O-N 3.13Å; S333-G336 PolarHBondContact O-N 3.4Å; S333-E338 WeakPolarHBondContact OG-CB 3.34Å; S333-I343 VanDerWaalsContact CB-CG1 3.46Å; S333-I343 WeakPolarHBondContact OG-CG1 3.46Å
334	M	70.7	Confident	75.5	Confident	170 Å²	170	57 Å²	57	84%	0.837	34%	0.336	S	S	*	.	H	α-helix	trans	-63.8	-29.5	176	-72.6	179	74.4	0	0	112.4	R330 T331 G336	R330-M334 WeakPolarHBondContact O-CG 3.5Å; R330-M334 PolarHBondContact O-N 3.11Å; R330-M334 VanDerWaalsContact O-N 3.1Å; T331-M334 PolarHBondContact O-N 3.38Å; M334-G336 VanDerWaalsContact C-N 3.26Å; M334-G336 PolarHBondContact O-N 2.51Å
335	S	75.1	Confident	75	Confident	86 Å²	86	55.7 Å²	55.7	60%	0.601	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	1.3	171.1	42.6	0	0	0	0	114.6	T331 S332 S333 C337	T331-S335 PolarHBondContact O-N 3.11Å; T331-S335 PolarHBondContact O-OG 3.24Å; S332-S335 VanDerWaalsContact C-OG 3.3Å; S332-S335 WeakPolarHBondContact CA-OG 3.42Å; S332-S335 PolarHBondContact O-N 3.03Å; S332-S335 PolarHBondContact O-OG 3.17Å; S333-S335 PolarHBondContact O-N 3.13Å; S335-C337 VanDerWaalsContact C-N 3.32Å; S335-C337 PolarHBondContact O-N 2.66Å
336	G	67.1	Low	74.9	Confident	66 Å²	66	55.6 Å²	55.6	68%	0.68	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	11.4	178.8	0	0	0	0	0	115.2	S332 S333 M334	S332-G336 PolarHBondContact O-N 3.11Å; S333-G336 PolarHBondContact O-N 3.4Å; M334-G336 VanDerWaalsContact C-N 3.26Å; M334-G336 PolarHBondContact O-N 2.51Å
337	C	61.7	Low	75	Confident	107 Å²	107	58.6 Å²	58.6	72%	0.723	35%	0.346	S	S	*	.			trans	-89.1	-28.9	-178.4	-86.1	0	0	0	0	113.9	S332 S335	S332-C337 PolarHBondContact O-N 3.35Å; S332-C337 VanDerWaalsContact O-N 3.07Å; S335-C337 VanDerWaalsContact C-N 3.32Å; S335-C337 PolarHBondContact O-N 2.66Å
338	E	62	Low	75.3	Confident	74 Å²	74	58.9 Å²	58.9	35%	0.346	35%	0.348	S	S	.	.	S	Bend	trans	-103.7	142.1	-178.1	-137.4	77.1	-142.5	0	0	111	F291 S332 S333 A342	F291-E338 HydrophobicContact CZ-CG 3.9Å; S332-E338 WeakPolarHBondContact CB-OE2 3.42Å; S332-E338 WeakPolarHBondContact OG-CB 3.46Å; S332-E338 PolarHBondContact OG-OE2 3.18Å; S333-E338 WeakPolarHBondContact OG-CB 3.34Å; E338-A342 HydrophobicContact CG-CB 3.98Å
339	P	63.4	Low	75.7	Confident	66 Å²	66	56.2 Å²	56.2	43%	0.429	33%	0.326	S	S	.	.			trans	-59.7	143.2	175.5	-17.9	25.4	0	0	0	112.1	F291 D341 A342	F291-P339 HydrophobicContact CD1-CB 4.09Å; F291-P339 HydrophobicContact CD1-CG 3.86Å; F291-P339 HydrophobicContact CE1-CB 3.74Å; F291-P339 VanDerWaalsContact CE1-CD 3.5Å; F291-P339 HydrophobicContact CE1-CG 3.48Å; F291-P339 VanDerWaalsContact CE1-CG 3.48Å; F291-P339 HydrophobicContact CZ-CG 4.46Å; P339-D341 PolarHBondContact O-N 2.68Å; P339-A342 WeakPolarHBondContact O-CB 3.46Å; P339-A342 PolarHBondContact O-N 2.83Å
340	S	71	Confident	76.3	Confident	78 Å²	78	56 Å²	56	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-52.6	-20.6	178.3	54.8	0	0	0	0	114.8	A342 I343 R344	S340-A342 VanDerWaalsContact C-N 3.32Å; S340-I343 PolarHBondContact O-N 2.85Å; S340-R344 PolarHBondContact O-N 3.34Å
341	D	73.6	Confident	77.1	Confident	49 Å²	49	57 Å²	57	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-67.3	-33.1	179.5	-61.2	-35.5	0	0	0	112.2	F291 P339 I343 R344 V345	F291-D341 HydrophobicContact CD1-CB 4.47Å; P339-D341 PolarHBondContact O-N 2.68Å; D341-I343 PolarHBondContact O-N 3.48Å; D341-R344 WeakPolarHBondContact O-CB 3.3Å; D341-R344 PolarHBondContact O-N 2.77Å; D341-V345 WeakPolarHBondContact O-CG2 3.47Å; D341-V345 PolarHBondContact O-N 3.4Å; D341-V345 VanDerWaalsContact O-N 3.11Å
342	A	75.6	Confident	77.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-46.1	176.5	0	0	0	0	0	111.8	F291 V329 E338 P339 S340 R344 V345 V346	F291-A342 HydrophobicContact CE1-CB 3.54Å; F291-A342 HydrophobicContact CE2-CB 4.19Å; F291-A342 HydrophobicContact CZ-CB 3.26Å; V329-A342 HydrophobicContact CG1-CB 3.27Å; E338-A342 HydrophobicContact CG-CB 3.98Å; P339-A342 WeakPolarHBondContact O-CB 3.46Å; P339-A342 PolarHBondContact O-N 2.83Å; S340-A342 VanDerWaalsContact C-N 3.32Å; A342-R344 VanDerWaalsContact C-N 3.28Å; A342-R344 PolarHBondContact O-N 2.86Å; A342-V345 WeakPolarHBondContact O-CB 3.32Å; A342-V345 PolarHBondContact O-N 3.41Å; A342-V345 VanDerWaalsContact O-N 3.14Å; A342-V346 PolarHBondContact O-N 2.92Å; A342-V346 VanDerWaalsContact O-N 3.13Å
343	I	80.7	Confident	78.6	Confident	52 Å²	52	52.1 Å²	52.1	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-38.1	176	-65	164.4	0	0	0	110.8	S333 S340 D341 V345 V346 N347	S333-I343 VanDerWaalsContact CB-CG1 3.46Å; S333-I343 WeakPolarHBondContact OG-CG1 3.46Å; S340-I343 PolarHBondContact O-N 2.85Å; D341-I343 PolarHBondContact O-N 3.48Å; I343-V345 VanDerWaalsContact C-N 3.28Å; I343-V345 PolarHBondContact O-N 3.49Å; I343-V346 PolarHBondContact O-N 3.35Å; I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 VanDerWaalsContact O-CG 3.3Å; I343-N347 PolarHBondContact O-N 3.33Å
344	R	81.4	Confident	79.7	Confident	162 Å²	162	53.1 Å²	53.1	61%	0.611	31%	0.308	S	S	*	.	H	α-helix	trans	-62.5	-37.3	177.5	-67.1	178	177.1	-173.7	-0.5	111.2	S340 D341 A342 S348	S340-R344 PolarHBondContact O-N 3.34Å; D341-R344 WeakPolarHBondContact O-CB 3.3Å; D341-R344 PolarHBondContact O-N 2.77Å; A342-R344 VanDerWaalsContact C-N 3.28Å; A342-R344 PolarHBondContact O-N 2.86Å; R344-S348 WeakPolarHBondContact O-CB 2.98Å; R344-S348 PolarHBondContact O-N 2.92Å
345	V	81.6	Confident	80.8	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-50.1	174.9	-162.5	0	0	0	0	111	M287 S294 V298 D341 A342 I343 N347 S348 V349	M287-V345 HydrophobicContact CE-CB 3.86Å; M287-V345 HydrophobicContact CE-CG1 3.4Å; M287-V345 VanDerWaalsContact CE-CG1 3.4Å; M287-V345 HydrophobicContact SD-CB 4.06Å; M287-V345 HydrophobicContact SD-CG1 4.15Å; S294-V345 WeakPolarHBondContact OG-CG2 3.49Å; V298-V345 HydrophobicContact CG2-CG1 3.93Å; D341-V345 WeakPolarHBondContact O-CG2 3.47Å; D341-V345 PolarHBondContact O-N 3.4Å; D341-V345 VanDerWaalsContact O-N 3.11Å; A342-V345 WeakPolarHBondContact O-CB 3.32Å; A342-V345 PolarHBondContact O-N 3.41Å; A342-V345 VanDerWaalsContact O-N 3.14Å; I343-V345 VanDerWaalsContact C-N 3.28Å; I343-V345 PolarHBondContact O-N 3.49Å; V345-N347 VanDerWaalsContact C-N 3.3Å; V345-N347 PolarHBondContact O-N 3.42Å; V345-S348 WeakPolarHBondContact O-CA 3.21Å; V345-S348 WeakPolarHBondContact O-CB 2.7Å; V345-S348 PolarHBondContact O-N 3.14Å; V345-V349 WeakPolarHBondContact O-CG2 3.42Å; V345-V349 PolarHBondContact O-N 2.62Å
346	V	84.2	Confident	81.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-46.1	179.7	176.8	0	0	0	0	110.4	M287 L326 V329 R330 A342 I343 S348 V349 L350	M287-V346 HydrophobicContact CE-CG2 4.41Å; M287-V346 HydrophobicContact SD-CG2 4.15Å; L326-V346 HydrophobicContact CB-CG1 4.11Å; L326-V346 HydrophobicContact CB-CG2 4.35Å; L326-V346 HydrophobicContact CD2-CG1 4.49Å; L326-V346 HydrophobicContact CD2-CG2 4.01Å; V329-V346 HydrophobicContact CB-CG2 4.18Å; V329-V346 HydrophobicContact CG1-CG2 3.84Å; R330-V346 HydrophobicContact CG-CG1 4.15Å; A342-V346 PolarHBondContact O-N 2.92Å; A342-V346 VanDerWaalsContact O-N 3.13Å; I343-V346 PolarHBondContact O-N 3.35Å; V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 3.14Å; V346-V349 PolarHBondContact O-N 2.87Å; V346-L350 HydrophobicContact CG1-CD1 4.09Å; V346-L350 WeakPolarHBondContact O-CG 3.42Å; V346-L350 PolarHBondContact O-N 3.44Å
347	N	87.2	Confident	82.9	Confident	66 Å²	66	43.1 Å²	43.1	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-38	176.1	-70.9	-13.2	0	0	0	112.2	R330 I343 V345 T351	R330-N347 PolarHBondContact NH2-OD1 3.41Å; I343-N347 WeakPolarHBondContact O-CB 3.48Å; I343-N347 VanDerWaalsContact O-CG 3.3Å; I343-N347 PolarHBondContact O-N 3.33Å; V345-N347 VanDerWaalsContact C-N 3.3Å; V345-N347 PolarHBondContact O-N 3.42Å; N347-T351 VanDerWaalsContact O-CB 3.31Å; N347-T351 WeakPolarHBondContact O-CB 3.09Å; N347-T351 PolarHBondContact O-N 3.03Å; N347-T351 PolarHBondContact O-OG1 3.49Å
348	S	88.6	Confident	84.3	Confident	15 Å²	15	47.1 Å²	47.1	11%	0.105	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-51	175.1	-170.4	0	0	0	0	110.7	A295 R344 V345 V346 L350 T351 Q352	A295-S348 PolarHBondContact O-OG 3.09Å; R344-S348 WeakPolarHBondContact O-CB 2.98Å; R344-S348 PolarHBondContact O-N 2.92Å; V345-S348 WeakPolarHBondContact O-CA 3.21Å; V345-S348 WeakPolarHBondContact O-CB 2.7Å; V345-S348 PolarHBondContact O-N 3.14Å; V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 3.14Å; S348-L350 PolarHBondContact O-N 2.75Å; S348-T351 WeakPolarHBondContact O-CB 3.3Å; S348-T351 PolarHBondContact O-N 3.31Å; S348-T351 VanDerWaalsContact O-N 3.13Å; S348-Q352 WeakPolarHBondContact O-CG 3.28Å; S348-Q352 PolarHBondContact O-N 3.35Å
349	V	88.8	Confident	85.8	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-49.7	177.4	173.3	0	0	0	0	111.1	L286 V298 V345 V346 T351 Q352 I353	L286-V349 HydrophobicContact CD1-CG2 4.41Å; V298-V349 HydrophobicContact CG1-CG2 3.73Å; V298-V349 HydrophobicContact CG2-CG2 4.14Å; V345-V349 WeakPolarHBondContact O-CG2 3.42Å; V345-V349 PolarHBondContact O-N 2.62Å; V346-V349 PolarHBondContact O-N 2.87Å; V349-T351 VanDerWaalsContact C-N 3.31Å; V349-T351 PolarHBondContact O-N 2.97Å; V349-Q352 PolarHBondContact O-N 3.41Å; V349-I353 HydrophobicContact CG1-CD1 3.98Å; V349-I353 WeakPolarHBondContact O-CG1 3.48Å; V349-I353 PolarHBondContact O-N 2.78Å
350	L	90.4	Very high	87.2	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-37.9	178.6	-68.3	172.8	0	0	0	112.6	V346 S348 I353 D354 A377 F378	V346-L350 HydrophobicContact CG1-CD1 4.09Å; V346-L350 WeakPolarHBondContact O-CG 3.42Å; V346-L350 PolarHBondContact O-N 3.44Å; S348-L350 PolarHBondContact O-N 2.75Å; L350-I353 HydrophobicContact CD2-CD1 4.47Å; L350-I353 PolarHBondContact O-N 2.75Å; L350-D354 PolarHBondContact O-N 2.83Å; L350-D354 VanDerWaalsContact O-N 3.12Å; L350-A377 HydrophobicContact CD1-CB 4.23Å; L350-F378 HydrophobicContact CD2-CB 4.33Å; L350-F378 HydrophobicContact CD2-CD2 3.87Å
351	T	92.6	Very high	88.4	Confident	69 Å²	69	41.2 Å²	41.2	42%	0.423	19%	0.192	S	C	.	.	H	α-helix	trans	-66.7	-41.4	176.3	-57.7	0	0	0	0	111	N347 S348 V349 D354 Q355	N347-T351 VanDerWaalsContact O-CB 3.31Å; N347-T351 WeakPolarHBondContact O-CB 3.09Å; N347-T351 PolarHBondContact O-N 3.03Å; N347-T351 PolarHBondContact O-OG1 3.49Å; S348-T351 WeakPolarHBondContact O-CB 3.3Å; S348-T351 PolarHBondContact O-N 3.31Å; S348-T351 VanDerWaalsContact O-N 3.13Å; V349-T351 VanDerWaalsContact C-N 3.31Å; V349-T351 PolarHBondContact O-N 2.97Å; T351-D354 PolarHBondContact O-N 3.15Å; T351-Q355 WeakPolarHBondContact O-CG 3.11Å; T351-Q355 PolarHBondContact O-N 3.23Å; T351-Q355 VanDerWaalsContact O-N 3.16Å
352	Q	92.8	Very high	89.5	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-41.2	177.4	-66.7	-57.6	-23.1	0	0	111.6	V298 T299 F302 S348 V349 D354 Q355 I356	V298-Q352 HydrophobicContact CG1-CG 4.22Å; T299-Q352 PolarHBondContact OG1-NE2 2.73Å; F302-Q352 HydrophobicContact CB-CB 3.87Å; F302-Q352 HydrophobicContact CB-CG 3.88Å; F302-Q352 HydrophobicContact CD1-CB 3.55Å; F302-Q352 HydrophobicContact CD1-CG 4.45Å; F302-Q352 HydrophobicContact CD2-CB 3.68Å; F302-Q352 HydrophobicContact CD2-CG 3.9Å; F302-Q352 HydrophobicContact CE1-CB 3.87Å; F302-Q352 HydrophobicContact CE2-CB 4.01Å; F302-Q352 HydrophobicContact CG-CB 3.42Å; F302-Q352 VanDerWaalsContact CG-CB 3.42Å; F302-Q352 HydrophobicContact CG-CG 3.84Å; F302-Q352 HydrophobicContact CZ-CB 4.1Å; S348-Q352 WeakPolarHBondContact O-CG 3.28Å; S348-Q352 PolarHBondContact O-N 3.35Å; V349-Q352 PolarHBondContact O-N 3.41Å; Q352-D354 VanDerWaalsContact C-N 3.28Å; Q352-D354 PolarHBondContact O-N 2.86Å; Q352-Q355 WeakPolarHBondContact O-CB 3.26Å; Q352-Q355 PolarHBondContact O-N 3.05Å; Q352-I356 WeakPolarHBondContact O-CG1 3.49Å; Q352-I356 PolarHBondContact O-N 3.2Å
353	I	93	Very high	90.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-53.3	-46.2	171.1	-72	168.6	0	0	0	111	F302 I320 V349 L350 Q355 I356 K357 I364 F378	F302-I353 HydrophobicContact CE1-CG1 4.48Å; F302-I353 HydrophobicContact CZ-CG1 4.46Å; I320-I353 HydrophobicContact CD1-CD1 3.39Å; I320-I353 HydrophobicContact CD1-CG1 3.79Å; V349-I353 HydrophobicContact CG1-CD1 3.98Å; V349-I353 WeakPolarHBondContact O-CG1 3.48Å; V349-I353 PolarHBondContact O-N 2.78Å; L350-I353 HydrophobicContact CD2-CD1 4.47Å; L350-I353 PolarHBondContact O-N 2.75Å; I353-Q355 PolarHBondContact O-N 3.31Å; I353-I356 WeakPolarHBondContact O-CG1 3.49Å; I353-I356 PolarHBondContact O-N 2.88Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 2.87Å; I353-K357 PolarHBondContact O-N 3.04Å; I353-I364 HydrophobicContact CG2-CD1 4.01Å; I353-F378 HydrophobicContact CD1-CE2 3.98Å
354	D	93.1	Very high	91.4	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-22.6	178.8	-73.6	-31	0	0	0	114.3	L350 T351 Q352 K357 R358 R381	L350-D354 PolarHBondContact O-N 2.83Å; L350-D354 VanDerWaalsContact O-N 3.12Å; T351-D354 PolarHBondContact O-N 3.15Å; Q352-D354 VanDerWaalsContact C-N 3.28Å; Q352-D354 PolarHBondContact O-N 2.86Å; D354-K357 VanDerWaalsContact OD1-CE 3.26Å; D354-K357 WeakPolarHBondContact OD1-CE 3.4Å; D354-K357 IonicContact OD1-NZ 3.33Å; D354-K357 PolarHBondContact OD1-NZ 2.86Å; D354-R358 PolarHBondContact O-NE 2.99Å; D354-R381 VanDerWaalsContact CG-NE 3.3Å; D354-R381 IonicContact OD1-CZ 2.8Å; D354-R381 IonicContact OD1-NE 2.73Å; D354-R381 PolarHBondContact OD1-NE 3.13Å; D354-R381 IonicContact OD1-NH2 4Å; D354-R381 IonicContact OD2-CZ 3.73Å; D354-R381 VanDerWaalsContact OD2-CZ 3.3Å; D354-R381 IonicContact OD2-NE 2.85Å; D354-R381 PolarHBondContact OD2-NE 2.89Å; D354-R381 VanDerWaalsContact OD2-NE 3.12Å; D354-R381 IonicContact OD2-NH2 3.83Å; D354-R381 PolarHBondContact OD2-NH2 2.98Å
355	Q	94	Very high	92.2	Very high	68 Å²	68	28.7 Å²	28.7	32%	0.318	14%	0.138	S	C	.	.	H	α-helix	trans	-81.6	-50.4	175	-68.6	177.4	21.2	0	0	111	T351 Q352 I353 K357 R358	T351-Q355 WeakPolarHBondContact O-CG 3.11Å; T351-Q355 PolarHBondContact O-N 3.23Å; T351-Q355 VanDerWaalsContact O-N 3.16Å; Q352-Q355 WeakPolarHBondContact O-CB 3.26Å; Q352-Q355 PolarHBondContact O-N 3.05Å; I353-Q355 PolarHBondContact O-N 3.31Å; Q355-K357 VanDerWaalsContact C-N 3.3Å; Q355-K357 PolarHBondContact O-N 3.02Å; Q355-R358 WeakPolarHBondContact O-CB 3.42Å; Q355-R358 WeakPolarHBondContact O-CG 3.22Å; Q355-R358 PolarHBondContact O-N 2.87Å
356	I	94.1	Very high	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-34	-177.6	60.4	164	0	0	0	111.9	F302 K306 L309 L318 Q352 I353 R358 F359 V362 I364	F302-I356 HydrophobicContact CD1-CD1 4.12Å; F302-I356 HydrophobicContact CD1-CG2 3.9Å; F302-I356 HydrophobicContact CE1-CD1 3.76Å; F302-I356 HydrophobicContact CE1-CG1 4.43Å; K306-I356 HydrophobicContact CG-CG2 3.91Å; L309-I356 HydrophobicContact CD1-CB 4.35Å; L309-I356 HydrophobicContact CD1-CG2 4.49Å; L318-I356 HydrophobicContact CD2-CD1 3.27Å; Q352-I356 WeakPolarHBondContact O-CG1 3.49Å; Q352-I356 PolarHBondContact O-N 3.2Å; I353-I356 WeakPolarHBondContact O-CG1 3.49Å; I353-I356 PolarHBondContact O-N 2.88Å; I356-R358 PolarHBondContact O-N 3.04Å; I356-F359 WeakPolarHBondContact O-CD2 3.38Å; I356-F359 PolarHBondContact O-N 3.46Å; I356-V362 VanDerWaalsContact O-CG1 3.24Å; I356-V362 WeakPolarHBondContact O-CG1 3.19Å; I356-I364 HydrophobicContact CD1-CD1 4.04Å; I356-I364 HydrophobicContact CD1-CG1 4.15Å; I356-I364 HydrophobicContact CG1-CD1 4.21Å
357	K	91.5	Very high	93.5	Very high	44 Å²	44	28.5 Å²	28.5	19%	0.191	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	2.1	178.9	78.5	-179.8	-171	-175.1	0	114.1	N241 R242 I353 D354 Q355 I364	N241-K357 HydrophobicContact CB-CD 4.35Å; N241-K357 PolarHBondContact OD1-NZ 2.83Å; R242-K357 VanDerWaalsContact NH2-C 3.33Å; R242-K357 PolarHBondContact NH2-O 2.88Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 2.87Å; I353-K357 PolarHBondContact O-N 3.04Å; D354-K357 VanDerWaalsContact OD1-CE 3.26Å; D354-K357 WeakPolarHBondContact OD1-CE 3.4Å; D354-K357 IonicContact OD1-NZ 3.33Å; D354-K357 PolarHBondContact OD1-NZ 2.86Å; Q355-K357 VanDerWaalsContact C-N 3.3Å; Q355-K357 PolarHBondContact O-N 3.02Å; K357-I364 HydrophobicContact CB-CD1 3.94Å
358	R	90	Very high	93.9	Very high	192 Å²	192	25.4 Å²	25.4	73%	0.725	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-24.6	173.3	-60.2	176.5	-174.4	177.7	-3.2	112.6	D354 Q355 I356	D354-R358 PolarHBondContact O-NE 2.99Å; Q355-R358 WeakPolarHBondContact O-CB 3.42Å; Q355-R358 WeakPolarHBondContact O-CG 3.22Å; Q355-R358 PolarHBondContact O-N 2.87Å; I356-R358 PolarHBondContact O-N 3.04Å
359	F	94.2	Very high	94.1	Very high	54 Å²	54	26.6 Å²	26.6	24%	0.237	13%	0.125	C	C	.	.	S	Bend	trans	-71.8	131.6	178.1	-71.7	-94.3	0	0	0	109.9	R242 K306 L309 I356 N361	R242-F359 PolarHBondContact NH1-O 3.35Å; R242-F359 PolarHBondContact NH2-O 2.84Å; K306-F359 HydrophobicContact CB-CZ 4.33Å; K306-F359 HydrophobicContact CG-CE2 4.01Å; K306-F359 HydrophobicContact CG-CZ 4.29Å; L309-F359 HydrophobicContact CB-CB 4.26Å; L309-F359 HydrophobicContact CB-CD1 3.77Å; L309-F359 HydrophobicContact CB-CE1 4.24Å; L309-F359 HydrophobicContact CB-CG 3.96Å; L309-F359 HydrophobicContact CD1-CB 4.22Å; L309-F359 HydrophobicContact CD1-CD2 4.31Å; L309-F359 HydrophobicContact CD1-CG 4.21Å; L309-F359 HydrophobicContact CD2-CB 4.35Å; I356-F359 WeakPolarHBondContact O-CD2 3.38Å; I356-F359 PolarHBondContact O-N 3.46Å; F359-N361 PolarHBondContact O-N 2.81Å; F359-N361 VanDerWaalsContact O-N 3.17Å
360	P	93.9	Very high	94	Very high	38 Å²	38	29.3 Å²	29.3	25%	0.247	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	-170.8	27.5	-35.2	0	0	0	114.5	A229 R242	A229-P360 HydrophobicContact CB-CB 4.03Å; A229-P360 VanDerWaalsContact CB-O 3.26Å; A229-P360 WeakPolarHBondContact CB-O 3.28Å; R242-P360 VanDerWaalsContact NH1-CA 3.3Å; R242-P360 PolarHBondContact NH1-O 3.21Å
361	N	96.1	Very high	93.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	27.2	-170	57.9	-38.6	0	0	0	113.6	Y273 L309 S311 H314 V316 F359	Y273-N361 HydrophobicContact CE1-CB 3.85Å; L309-N361 WeakPolarHBondContact CD2-O 3.26Å; L309-N361 PolarHBondContact O-ND2 3.31Å; L309-N361 PolarHBondContact O-OD1 3.4Å; S311-N361 PolarHBondContact O-ND2 3.28Å; H314-N361 WeakPolarHBondContact O-CB 3.12Å; H314-N361 PolarHBondContact O-ND2 2.98Å; V316-N361 PolarHBondContact N-O 3.24Å; F359-N361 PolarHBondContact O-N 2.81Å; F359-N361 VanDerWaalsContact O-N 3.17Å
362	V	96.9	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.9	173.4	78.8	0	0	0	0	111.7	R242 L309 V316 I356 I364	R242-V362 PolarHBondContact NH1-O 3.25Å; L309-V362 HydrophobicContact CD1-CB 4.2Å; L309-V362 HydrophobicContact CD1-CG2 4.2Å; L309-V362 HydrophobicContact CD2-CB 3.9Å; L309-V362 HydrophobicContact CD2-CG2 4.36Å; V316-V362 HydrophobicContact CB-CG2 4.27Å; V316-V362 HydrophobicContact CG1-CG2 4.45Å; V316-V362 CarbonylContact O-C 3.6Å; V316-V362 WeakPolarHBondContact O-CA 3.01Å; I356-V362 VanDerWaalsContact O-CG1 3.24Å; I356-V362 WeakPolarHBondContact O-CG1 3.19Å; V362-I364 HydrophobicContact CG2-CG1 4.5Å
363	L	97.5	Very high	91.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.4	165.5	-179.5	69.2	0	0	0	109.1	A222 R242 I244 L265 V316 C317 L318 L365	A222-L363 HydrophobicContact CB-CD2 3.74Å; R242-L363 HydrophobicContact CB-CD1 4.4Å; I244-L363 HydrophobicContact CD1-CD1 4.19Å; L265-L363 HydrophobicContact CD2-CD2 3.64Å; V316-L363 PolarHBondContact O-N 3.15Å; C317-L363 CarbonylContact C-O 3.59Å; C317-L363 WeakPolarHBondContact CA-O 2.95Å; L318-L363 PolarHBondContact N-O 3.45Å; L363-L365 HydrophobicContact CD2-CD2 3.96Å; L363-L365 HydrophobicContact CG-CD2 4.13Å
364	I	97.5	Very high	91.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.8	178.5	-61.2	156.7	0	0	0	109	R242 V243 I244 L318 I320 I353 I356 K357 V362	R242-I364 PolarHBondContact O-N 3.12Å; V243-I364 CarbonylContact C-O 3.46Å; V243-I364 WeakPolarHBondContact CA-O 3.29Å; V243-I364 HydrophobicContact CB-CB 4.49Å; V243-I364 HydrophobicContact CG1-CG2 4.21Å; V243-I364 HydrophobicContact CG2-CB 4.04Å; V243-I364 HydrophobicContact CG2-CD1 3.93Å; V243-I364 HydrophobicContact CG2-CG2 4.3Å; I244-I364 PolarHBondContact N-O 3.29Å; L318-I364 HydrophobicContact CB-CG1 4.36Å; L318-I364 CarbonylContact O-C 3.52Å; L318-I364 WeakPolarHBondContact O-CA 3.42Å; I320-I364 HydrophobicContact CD1-CG2 4.27Å; I353-I364 HydrophobicContact CG2-CD1 4.01Å; I356-I364 HydrophobicContact CD1-CD1 4.04Å; I356-I364 HydrophobicContact CD1-CG1 4.15Å; I356-I364 HydrophobicContact CG1-CD1 4.21Å; K357-I364 HydrophobicContact CB-CD1 3.94Å; V362-I364 HydrophobicContact CG2-CG1 4.5Å
365	L	98	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.2	175.5	-55.9	177.4	0	0	0	108.1	I244 C258 L261 A262 L318 L319 I320 L363	I244-L365 HydrophobicContact CB-CD2 3.97Å; I244-L365 HydrophobicContact CD1-CD2 3.85Å; I244-L365 HydrophobicContact CG1-CD2 4.29Å; I244-L365 CarbonylContact O-C 3.53Å; C258-L365 HydrophobicContact CB-CB 4.12Å; C258-L365 HydrophobicContact CB-CD1 3.8Å; C258-L365 WeakPolarHBondContact O-CD1 3.41Å; L261-L365 HydrophobicContact CD2-CD2 3.87Å; A262-L365 HydrophobicContact CB-CD1 4.46Å; L318-L365 PolarHBondContact O-N 3.34Å; L318-L365 VanDerWaalsContact O-O 3.11Å; L319-L365 CarbonylContact C-O 3.6Å; L319-L365 VanDerWaalsContact CA-O 3.31Å; L319-L365 WeakPolarHBondContact CA-O 3.45Å; L319-L365 HydrophobicContact CD1-CB 3.99Å; I320-L365 PolarHBondContact N-O 3.34Å; L363-L365 HydrophobicContact CD2-CD2 3.96Å; L363-L365 HydrophobicContact CG-CD2 4.13Å
366	A	96.9	Very high	90.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.5	179.1	0	0	0	0	0	111.1	I244 L245 L246 I320 V323 F378	I244-A366 PolarHBondContact O-N 3.27Å; L245-A366 CarbonylContact C-O 3.48Å; L245-A366 WeakPolarHBondContact CA-O 3.37Å; L245-A366 HydrophobicContact CD1-CB 3.94Å; L246-A366 PolarHBondContact N-O 3.48Å; I320-A366 VanDerWaalsContact O-CA 3.31Å; I320-A366 WeakPolarHBondContact O-CA 3.45Å; V323-A366 HydrophobicContact CG1-CB 4.05Å; A366-F378 HydrophobicContact CB-CE1 3.67Å; A366-F378 HydrophobicContact CB-CZ 3.37Å
367	T	96.2	Very high	90.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.2	-176.8	43.3	0	0	0	0	111.1	L246 K254 C258 L319 I320 D321 E322 V323	L246-T367 HydrophobicContact CB-CG2 4.28Å; L246-T367 CarbonylContact O-C 3.56Å; L246-T367 VanDerWaalsContact O-CA 3.24Å; L246-T367 WeakPolarHBondContact O-CA 3.48Å; K254-T367 HydrophobicContact CB-CG2 3.75Å; C258-T367 VanDerWaalsContact SG-CG2 3.53Å; L319-T367 HydrophobicContact CD1-CG2 4.17Å; I320-T367 PolarHBondContact O-N 3.1Å; I320-T367 VanDerWaalsContact O-N 3.13Å; D321-T367 VanDerWaalsContact CA-OG1 3.3Å; D321-T367 WeakPolarHBondContact CA-OG1 3.31Å; D321-T367 WeakPolarHBondContact OD1-CB 3.17Å; D321-T367 PolarHBondContact OD1-OG1 3.49Å; E322-T367 WeakPolarHBondContact CA-O 3.38Å; E322-T367 PolarHBondContact N-O 3.2Å; E322-T367 VanDerWaalsContact N-O 3.11Å; V323-T367 PolarHBondContact N-O 3.44Å
368	S	95.1	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.4	173.2	-172.9	0	0	0	0	114.4	L246 Y247 G248 K254 E324 V370	L246-S368 PolarHBondContact O-N 2.92Å; Y247-S368 VanDerWaalsContact CA-O 3.3Å; Y247-S368 WeakPolarHBondContact CA-O 3.23Å; G248-S368 PolarHBondContact N-O 2.94Å; K254-S368 WeakPolarHBondContact CD-O 3.43Å; K254-S368 WeakPolarHBondContact CE-O 3.36Å; E324-S368 WeakPolarHBondContact OE2-CA 3.49Å; E324-S368 VanDerWaalsContact OE2-CB 3.24Å; E324-S368 WeakPolarHBondContact OE2-CB 3.34Å; E324-S368 PolarHBondContact OE2-OG 2.78Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact OG-N 3.31Å
369	N	93.4	Very high	90	Very high	40 Å²	40	27.1 Å²	27.1	21%	0.214	17%	0.172	C	C	.	.	S	Bend	trans	-85.3	-3.4	177.4	-59	-61.9	0	0	0	114.4	G248 P250 K254 E324	G248-N369 CarbonylContact O-C 3.51Å; G248-N369 WeakPolarHBondContact O-CA 3.4Å; G248-N369 VanDerWaalsContact O-O 3.11Å; P250-N369 HydrophobicContact CB-CB 4.39Å; K254-N369 VanDerWaalsContact CE-OD1 3.31Å; K254-N369 WeakPolarHBondContact CE-OD1 3.41Å; K254-N369 PolarHBondContact NZ-OD1 2.87Å; E324-N369 VanDerWaalsContact CD-N 3.33Å; E324-N369 WeakPolarHBondContact OE1-CB 3.42Å; E324-N369 PolarHBondContact OE1-N 2.94Å; E324-N369 PolarHBondContact OE1-ND2 3.2Å; E324-N369 PolarHBondContact OE2-N 3.08Å; E324-N369 VanDerWaalsContact OE2-N 3.12Å
370	V	87.7	Confident	89.7	Confident	60 Å²	60	30.3 Å²	30.3	36%	0.364	19%	0.192	S	C	.	.			trans	-102.7	130	-176.7	-177.5	0	0	0	0	109.3	E324 S368 G372	E324-V370 HydrophobicContact CB-CB 4.19Å; E324-V370 HydrophobicContact CB-CG2 3.65Å; E324-V370 HydrophobicContact CG-CG2 3.76Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact OG-N 3.31Å; V370-G372 VanDerWaalsContact C-N 3.34Å
371	T	78.6	Confident	89.6	Confident	53 Å²	53	30.9 Å²	30.9	33%	0.325	19%	0.189	S	C	.	.	S	Bend	trans	-81.7	-18	174.4	53.6	0	0	0	0	112.9	P249 F387 E597	P249-T371 HydrophobicContact CG-CG2 4.39Å; T371-F387 HydrophobicContact CG2-CE2 3.82Å; T371-E597 PolarHBondContact OG1-OE1 2.91Å
372	G	76.8	Confident	89.4	Confident	52 Å²	52	31.2 Å²	31.2	54%	0.536	19%	0.192	S	C	.	.	S	Bend	trans	-87.3	-120.3	179.5	0	0	0	0	0	113.9	V370 I374	V370-G372 VanDerWaalsContact C-N 3.34Å; G372-I374 PolarHBondContact O-N 3.49Å
373	V	76.3	Confident	89.2	Confident	107 Å²	107	33.7 Å²	33.7	65%	0.648	21%	0.205	S	C	*	.			trans	-82.4	113.7	-166.3	-170.2	0	0	0	0	110.9	T327	T327-V373 HydrophobicContact CG2-CG1 4.11Å
374	I	84.5	Confident	89	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.046	22%	0.215	C	C	.	.			trans	-104	149.6	163.7	-58.9	174.4	0	0	0	107.4	L245 Y247 V323 G372 P376 L379	L245-I374 HydrophobicContact CD2-CD1 3.95Å; L245-I374 HydrophobicContact CD2-CG2 4.42Å; Y247-I374 HydrophobicContact CG-CD1 4.36Å; V323-I374 HydrophobicContact CG2-CG2 4.32Å; G372-I374 PolarHBondContact O-N 3.49Å; I374-P376 WeakPolarHBondContact O-CD 3.37Å; I374-L379 HydrophobicContact CB-CD1 4.15Å; I374-L379 HydrophobicContact CB-CD2 4.15Å; I374-L379 HydrophobicContact CB-CG 4.08Å; I374-L379 HydrophobicContact CG2-CD2 4.09Å; I374-L379 HydrophobicContact CG2-CG 4Å
375	D	82.7	Confident	88.8	Confident	9 Å²	9	41.4 Å²	41.4	5%	0.048	24%	0.237	C	C	.	.			trans	-51.6	122.4	-179.7	-177.7	-97.7	0	0	0	111.4	T327 R330 A377 F378 L379	T327-D375 HydrophobicContact CG2-CB 4.28Å; T327-D375 WeakPolarHBondContact OG1-CB 3.38Å; T327-D375 PolarHBondContact OG1-N 3.27Å; R330-D375 WeakPolarHBondContact CD-OD2 3.34Å; R330-D375 IonicContact CZ-OD1 3.85Å; R330-D375 IonicContact CZ-OD2 3.97Å; R330-D375 IonicContact NE-OD2 2.78Å; R330-D375 IonicContact NH1-OD1 2.86Å; R330-D375 PolarHBondContact NH1-OD1 3.46Å; R330-D375 IonicContact NH1-OD2 3.66Å; R330-D375 PolarHBondContact NH1-OD2 3.38Å; D375-A377 VanDerWaalsContact C-N 3.26Å; D375-A377 PolarHBondContact O-N 2.93Å; D375-A377 WeakPolarHBondContact OD1-CA 3.29Å; D375-A377 WeakPolarHBondContact OD1-CB 3.41Å; D375-A377 PolarHBondContact OD1-N 3.31Å; D375-F378 HydrophobicContact CB-CB 4.09Å; D375-F378 WeakPolarHBondContact O-CB 3.31Å; D375-F378 PolarHBondContact O-N 3.06Å; D375-F378 VanDerWaalsContact O-N 3.1Å; D375-F378 PolarHBondContact OD1-N 3.13Å; D375-L379 PolarHBondContact O-N 3.15Å
376	P	85.4	Confident	88.6	Confident	83 Å²	83	43.4 Å²	43.4	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-57.9	-37.5	-178.5	-27.2	34.8	0	0	0	113.2	I374 F378 L379 D380	I374-P376 WeakPolarHBondContact O-CD 3.37Å; P376-F378 VanDerWaalsContact C-N 3.33Å; P376-F378 PolarHBondContact O-N 3.1Å; P376-L379 PolarHBondContact O-N 2.86Å; P376-D380 VanDerWaalsContact O-CG 3.27Å; P376-D380 PolarHBondContact O-N 3.12Å
377	A	85.1	Confident	88.4	Confident	25 Å²	25	48 Å²	48	21%	0.207	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-37.2	179.8	0	0	0	0	0	111	L350 D375 R381	L350-A377 HydrophobicContact CD1-CB 4.23Å; D375-A377 VanDerWaalsContact C-N 3.26Å; D375-A377 PolarHBondContact O-N 2.93Å; D375-A377 WeakPolarHBondContact OD1-CA 3.29Å; D375-A377 WeakPolarHBondContact OD1-CB 3.41Å; D375-A377 PolarHBondContact OD1-N 3.31Å; A377-R381 PolarHBondContact O-NH1 2.62Å
378	F	87.2	Confident	88.4	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-45.7	172.4	-167.4	-85.4	0	0	0	111.4	V243 L245 V323 L350 I353 A366 D375 P376 D380 R381 A382	V243-F378 HydrophobicContact CG1-CZ 4.34Å; L245-F378 HydrophobicContact CD1-CE1 4.09Å; L245-F378 HydrophobicContact CD2-CD1 4.39Å; L245-F378 HydrophobicContact CD2-CE1 4.4Å; V323-F378 HydrophobicContact CG1-CE1 4.41Å; V323-F378 HydrophobicContact CG1-CE2 4.16Å; V323-F378 HydrophobicContact CG1-CZ 4.05Å; V323-F378 HydrophobicContact CG2-CD1 4.43Å; V323-F378 HydrophobicContact CG2-CE1 4.37Å; L350-F378 HydrophobicContact CD2-CB 4.33Å; L350-F378 HydrophobicContact CD2-CD2 3.87Å; I353-F378 HydrophobicContact CD1-CE2 3.98Å; A366-F378 HydrophobicContact CB-CE1 3.67Å; A366-F378 HydrophobicContact CB-CZ 3.37Å; D375-F378 HydrophobicContact CB-CB 4.09Å; D375-F378 WeakPolarHBondContact O-CB 3.31Å; D375-F378 PolarHBondContact O-N 3.06Å; D375-F378 VanDerWaalsContact O-N 3.1Å; D375-F378 PolarHBondContact OD1-N 3.13Å; P376-F378 VanDerWaalsContact C-N 3.33Å; P376-F378 PolarHBondContact O-N 3.1Å; F378-D380 VanDerWaalsContact C-N 3.31Å; F378-D380 PolarHBondContact O-N 3.43Å; F378-R381 WeakPolarHBondContact O-CB 3.48Å; F378-R381 PolarHBondContact O-N 3.49Å; F378-A382 PolarHBondContact O-N 3.08Å
379	L	89.2	Confident	88.3	Confident	36 Å²	36	49 Å²	49	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-43	178.9	-75	175.5	0	0	0	112.3	L245 I374 D375 P376 R381 A382 R385	L245-L379 HydrophobicContact CD2-CD2 3.49Å; L245-L379 VanDerWaalsContact CD2-CD2 3.49Å; I374-L379 HydrophobicContact CB-CD1 4.15Å; I374-L379 HydrophobicContact CB-CD2 4.15Å; I374-L379 HydrophobicContact CB-CG 4.08Å; I374-L379 HydrophobicContact CG2-CD2 4.09Å; I374-L379 HydrophobicContact CG2-CG 4Å; D375-L379 PolarHBondContact O-N 3.15Å; P376-L379 PolarHBondContact O-N 2.86Å; L379-R381 PolarHBondContact O-N 3.05Å; L379-R381 VanDerWaalsContact O-N 3.13Å; L379-A382 PolarHBondContact O-N 3.22Å; L379-R385 PolarHBondContact O-NE 3.01Å; L379-R385 PolarHBondContact O-NH2 2.89Å
380	D	88.6	Confident	88.3	Confident	121 Å²	121	50.2 Å²	50.2	65%	0.647	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-19.3	179.4	-71.5	-15.8	0	0	0	113.7	P376 F378	P376-D380 VanDerWaalsContact O-CG 3.27Å; P376-D380 PolarHBondContact O-N 3.12Å; F378-D380 VanDerWaalsContact C-N 3.31Å; F378-D380 PolarHBondContact O-N 3.43Å
381	R	91.1	Very high	88.6	Confident	49 Å²	49	48.1 Å²	48.1	19%	0.185	28%	0.276	C	S	.	.	H	α-helix	trans	-89.8	-20.5	175.6	-66.9	169	173.6	72.8	-0.3	113	N241 V243 D354 A377 F378 L379 D383	N241-R381 WeakPolarHBondContact CB-O 3.47Å; N241-R381 PolarHBondContact ND2-O 2.91Å; V243-R381 VanDerWaalsContact CB-O 3.31Å; V243-R381 WeakPolarHBondContact CB-O 3.41Å; D354-R381 VanDerWaalsContact CG-NE 3.3Å; D354-R381 IonicContact OD1-CZ 2.8Å; D354-R381 IonicContact OD1-NE 2.73Å; D354-R381 PolarHBondContact OD1-NE 3.13Å; D354-R381 IonicContact OD1-NH2 4Å; D354-R381 IonicContact OD2-CZ 3.73Å; D354-R381 VanDerWaalsContact OD2-CZ 3.3Å; D354-R381 IonicContact OD2-NE 2.85Å; D354-R381 PolarHBondContact OD2-NE 2.89Å; D354-R381 VanDerWaalsContact OD2-NE 3.12Å; D354-R381 IonicContact OD2-NH2 3.83Å; D354-R381 PolarHBondContact OD2-NH2 2.98Å; A377-R381 PolarHBondContact O-NH1 2.62Å; F378-R381 WeakPolarHBondContact O-CB 3.48Å; F378-R381 PolarHBondContact O-N 3.49Å; L379-R381 PolarHBondContact O-N 3.05Å; L379-R381 VanDerWaalsContact O-N 3.13Å; R381-D383 PolarHBondContact O-N 2.79Å
382	A	92.7	Very high	89.4	Confident	8 Å²	8	47 Å²	47	7%	0.066	27%	0.269	C	S	.	.			trans	-79.4	117.8	-178.2	0	0	0	0	0	111	V243 L245 F378 L379 R385	V243-A382 HydrophobicContact CG1-CB 4.14Å; L245-A382 HydrophobicContact CB-CB 3.87Å; F378-A382 PolarHBondContact O-N 3.08Å; L379-A382 PolarHBondContact O-N 3.22Å; A382-R385 HydrophobicContact CB-CG 4.08Å
383	D	92.2	Very high	90.2	Very high	52 Å²	52	45.8 Å²	45.8	28%	0.278	25%	0.252	S	S	.	.	S	Bend	trans	-74.9	-41.6	175.8	-55.1	-44.8	0	0	0	110.7	Y221 N241 R242 V243 R381	Y221-D383 WeakPolarHBondContact OH-CB 3.48Å; Y221-D383 PolarHBondContact OH-OD2 3.12Å; N241-D383 WeakPolarHBondContact CA-OD2 3.03Å; N241-D383 WeakPolarHBondContact CB-OD1 3.39Å; N241-D383 PolarHBondContact N-OD1 3.01Å; N241-D383 PolarHBondContact N-OD2 3Å; N241-D383 PolarHBondContact ND2-OD1 2.78Å; N241-D383 VanDerWaalsContact ND2-OD1 3.16Å; R242-D383 WeakPolarHBondContact CA-OD2 3.39Å; R242-D383 PolarHBondContact N-OD2 3.02Å; V243-D383 PolarHBondContact N-OD2 2.92Å; V243-D383 PolarHBondContact O-N 3.06Å; R381-D383 PolarHBondContact O-N 2.79Å
384	I	92.9	Very high	91.1	Very high	43 Å²	43	41.5 Å²	41.5	22%	0.221	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.5	174	-66.5	-167.1	0	0	0	109.2	L218 Y221 V243 I244 L245 L386	L218-I384 HydrophobicContact CD2-CG2 4.38Å; Y221-I384 HydrophobicContact CD1-CD1 3.47Å; Y221-I384 VanDerWaalsContact CD1-CD1 3.47Å; Y221-I384 HydrophobicContact CD1-CG1 4.18Å; Y221-I384 HydrophobicContact CD2-CD1 3.42Å; Y221-I384 VanDerWaalsContact CD2-CD1 3.42Å; Y221-I384 HydrophobicContact CD2-CG1 4.1Å; Y221-I384 HydrophobicContact CE1-CD1 3.87Å; Y221-I384 HydrophobicContact CE1-CG1 4.06Å; Y221-I384 HydrophobicContact CE2-CD1 3.81Å; Y221-I384 HydrophobicContact CE2-CG1 3.96Å; Y221-I384 HydrophobicContact CG-CD1 3.22Å; Y221-I384 HydrophobicContact CG-CG1 4.2Å; V243-I384 PolarHBondContact O-N 3.37Å; I244-I384 HydrophobicContact CG2-CB 4.37Å; I244-I384 HydrophobicContact CG2-CG2 4.28Å; L245-I384 PolarHBondContact N-O 3.02Å; I384-L386 HydrophobicContact CG2-CB 4.18Å
385	R	93.3	Very high	91.5	Very high	119 Å²	119	41.1 Å²	41.1	45%	0.449	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	107.2	170.7	-56.2	175.2	-170.4	177.4	5.4	107.4	L245 Y247 L379 A382	L245-R385 WeakPolarHBondContact O-CA 3.18Å; Y247-R385 HydrophobicContact CE1-CB 4.23Å; L379-R385 PolarHBondContact O-NE 3.01Å; L379-R385 PolarHBondContact O-NH2 2.89Å; A382-R385 HydrophobicContact CB-CG 4.08Å
386	L	94.1	Very high	92.1	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.225	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.6	-174.1	-175.3	66.1	0	0	0	111.3	I214 L218 L245 L246 Y247 I384 I388	I214-L386 HydrophobicContact CB-CD2 4.26Å; I214-L386 HydrophobicContact CD1-CD2 4.44Å; I214-L386 HydrophobicContact CG1-CD1 4.4Å; I214-L386 HydrophobicContact CG1-CD2 3.99Å; I214-L386 HydrophobicContact CG2-CD2 3.48Å; I214-L386 VanDerWaalsContact CG2-CD2 3.48Å; L218-L386 HydrophobicContact CD1-CD2 3.97Å; L218-L386 HydrophobicContact CD2-CD2 4.23Å; L218-L386 HydrophobicContact CG-CD2 4.16Å; L245-L386 PolarHBondContact O-N 2.91Å; L246-L386 CarbonylContact C-O 3.59Å; L246-L386 WeakPolarHBondContact CA-O 3.21Å; L246-L386 HydrophobicContact CD2-CB 3.86Å; L246-L386 HydrophobicContact CD2-CD2 4.02Å; L246-L386 HydrophobicContact CD2-CG 4.42Å; Y247-L386 WeakPolarHBondContact CD1-O 3.27Å; Y247-L386 PolarHBondContact N-O 3.47Å; I384-L386 HydrophobicContact CG2-CB 4.18Å; L386-I388 HydrophobicContact CD2-CD1 3.71Å; L386-I388 HydrophobicContact CG-CD1 3.87Å
387	F	94.3	Very high	92.6	Very high	96 Å²	96	36.7 Å²	36.7	42%	0.421	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.7	173.1	176.9	-106.8	0	0	0	110.9	Y247 T371 G389	Y247-F387 AromaticContact CD2-CD2 3.97Å; Y247-F387 HydrophobicContact CD2-CD2 3.97Å; Y247-F387 HydrophobicContact CE1-CB 4.15Å; Y247-F387 HydrophobicContact CE2-CB 3.97Å; Y247-F387 AromaticContact CE2-CD2 3.71Å; Y247-F387 HydrophobicContact CE2-CD2 3.71Å; Y247-F387 HydrophobicContact CE2-CG 4.29Å; Y247-F387 CarbonylContact O-C 3.57Å; Y247-F387 VanDerWaalsContact O-CA 3.28Å; Y247-F387 WeakPolarHBondContact O-CA 3.44Å; T371-F387 HydrophobicContact CG2-CE2 3.82Å; F387-G389 VanDerWaalsContact CE1-CA 3.49Å
388	I	94.6	Very high	93	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.188	C	C	.	.			trans	-113.6	94.3	174.8	-50.7	-62.4	0	0	0	108.9	F210 I214 L246 Y247 T252 K254 L257 L386	F210-I388 HydrophobicContact CD1-CG2 4.35Å; F210-I388 HydrophobicContact CE1-CG2 3.69Å; I214-I388 HydrophobicContact CD1-CD1 3.98Å; I214-I388 HydrophobicContact CG2-CD1 4.08Å; L246-I388 HydrophobicContact CB-CG1 4.29Å; Y247-I388 PolarHBondContact O-N 3.4Å; T252-I388 WeakPolarHBondContact CB-O 3.36Å; T252-I388 PolarHBondContact OG1-O 3.17Å; T252-I388 VanDerWaalsContact OG1-O 3.08Å; K254-I388 HydrophobicContact CG-CB 4.04Å; K254-I388 HydrophobicContact CG-CG1 4.25Å; K254-I388 HydrophobicContact CG-CG2 4.45Å; L257-I388 HydrophobicContact CD2-CD1 4.22Å; L386-I388 HydrophobicContact CD2-CD1 3.71Å; L386-I388 HydrophobicContact CG-CD1 3.87Å
389	G	92.7	Very high	93.4	Very high	20 Å²	20	36 Å²	36	21%	0.206	19%	0.19	C	C	.	.			trans	-79.5	179.4	179.3	0	0	0	0	0	114.4	T252 F387	T252-G389 WeakPolarHBondContact CG2-O 3.37Å; F387-G389 VanDerWaalsContact CE1-CA 3.49Å
390	P	93.4	Very high	93.7	Very high	65 Å²	65	34.3 Å²	34.3	42%	0.422	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-62.7	150.8	167.3	29.7	-34.2	0	0	0	110.6
391	P	94.5	Very high	94	Very high	16 Å²	16	29.2 Å²	29.2	10%	0.104	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-67.2	143.8	-178.5	26.6	-33.3	0	0	0	112.2	A395 I396 I399 L459	P391-A395 HydrophobicContact CB-CB 3.47Å; P391-A395 VanDerWaalsContact CB-CB 3.47Å; P391-I396 HydrophobicContact CB-CG1 4.04Å; P391-I396 HydrophobicContact CG-CD1 4.47Å; P391-I396 HydrophobicContact CG-CG1 3.8Å; P391-I399 HydrophobicContact CB-CD1 4.32Å; P391-I399 HydrophobicContact CG-CD1 4.27Å; P391-L459 HydrophobicContact CG-CD1 3.45Å; P391-L459 VanDerWaalsContact CG-CD1 3.45Å
392	S	94.7	Very high	94.1	Very high	28 Å²	28	29.8 Å²	29.8	20%	0.196	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-67.9	165.5	169.2	73.2	0	0	0	0	112.5	Y146 D211 P394 A395 I396	Y146-S392 PolarHBondContact OH-OG 2.83Å; D211-S392 VanDerWaalsContact CG-CB 3.49Å; D211-S392 WeakPolarHBondContact OD1-CB 3.28Å; D211-S392 PolarHBondContact OD1-N 3.37Å; D211-S392 PolarHBondContact OD1-OG 2.98Å; D211-S392 WeakPolarHBondContact OD2-CB 3.25Å; D211-S392 PolarHBondContact OD2-N 2.82Å; D211-S392 VanDerWaalsContact OD2-N 3.11Å; D211-S392 PolarHBondContact OD2-OG 3.47Å; S392-P394 VanDerWaalsContact C-N 3.33Å; S392-P394 WeakPolarHBondContact OG-CD 3.31Å; S392-A395 WeakPolarHBondContact O-CA 3.46Å; S392-A395 WeakPolarHBondContact O-CB 3.45Å; S392-A395 PolarHBondContact O-N 2.86Å; S392-A395 PolarHBondContact OG-N 2.87Å; S392-I396 VanDerWaalsContact O-CG1 3.29Å; S392-I396 WeakPolarHBondContact O-CG1 3.47Å; S392-I396 PolarHBondContact O-N 3.27Å
393	P	95.4	Very high	94.2	Very high	28 Å²	28	30.1 Å²	30.1	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-55.4	-40.7	178.4	-19.8	30	0	0	0	114	A395 I396 Y397 W445 E449 L452	P393-A395 PolarHBondContact O-N 2.68Å; P393-I396 PolarHBondContact O-N 3.4Å; P393-Y397 WeakPolarHBondContact O-CB 3.36Å; P393-Y397 PolarHBondContact O-N 3.2Å; P393-W445 HydrophobicContact CB-CH2 3.97Å; P393-W445 HydrophobicContact CB-CZ3 4.2Å; P393-E449 HydrophobicContact CB-CG 4.24Å; P393-L452 HydrophobicContact CG-CD1 4.1Å
394	P	93.8	Very high	94.3	Very high	17 Å²	17	27.7 Å²	27.7	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-38.9	170.8	-30.1	40.1	0	0	0	114.9	Y146 S392 Y397 S398 Y424 W445	Y146-P394 WeakPolarHBondContact CD1-O 3.27Å; Y146-P394 HydrophobicContact CD2-CB 3.4Å; Y146-P394 VanDerWaalsContact CD2-CB 3.4Å; Y146-P394 VanDerWaalsContact CE1-C 3.48Å; Y146-P394 HydrophobicContact CE1-CB 4.22Å; Y146-P394 HydrophobicContact CE2-CB 2.94Å; Y146-P394 HydrophobicContact CE2-CG 4.07Å; Y146-P394 HydrophobicContact CG-CB 4.2Å; S392-P394 VanDerWaalsContact C-N 3.33Å; S392-P394 WeakPolarHBondContact OG-CD 3.31Å; P394-Y397 WeakPolarHBondContact O-CB 3.43Å; P394-Y397 PolarHBondContact O-N 2.8Å; P394-S398 PolarHBondContact O-N 2.89Å; P394-S398 VanDerWaalsContact O-N 3.17Å; P394-Y424 HydrophobicContact CB-CD1 4.15Å; P394-Y424 HydrophobicContact CB-CD2 3.89Å; P394-Y424 HydrophobicContact CB-CE1 4.05Å; P394-Y424 HydrophobicContact CB-CE2 3.8Å; P394-Y424 HydrophobicContact CB-CG 4.06Å; P394-Y424 HydrophobicContact CG-CD2 4.13Å; P394-Y424 HydrophobicContact CG-CE1 4.14Å; P394-Y424 HydrophobicContact CG-CE2 3.54Å; P394-W445 HydrophobicContact CB-CZ3 4.44Å; P394-W445 HydrophobicContact CG-CH2 3.93Å; P394-W445 HydrophobicContact CG-CZ3 3.99Å
395	A	93.6	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-44.8	172	0	0	0	0	0	111.9	Y146 I209 D211 P391 S392 P393 Y397 S398 I399	Y146-A395 HydrophobicContact CD1-CB 4.28Å; Y146-A395 HydrophobicContact CE1-CB 3.45Å; Y146-A395 VanDerWaalsContact CE1-CB 3.45Å; I209-A395 HydrophobicContact CG2-CB 4.14Å; D211-A395 WeakPolarHBondContact OD1-CB 3.37Å; P391-A395 HydrophobicContact CB-CB 3.47Å; P391-A395 VanDerWaalsContact CB-CB 3.47Å; S392-A395 WeakPolarHBondContact O-CA 3.46Å; S392-A395 WeakPolarHBondContact O-CB 3.45Å; S392-A395 PolarHBondContact O-N 2.86Å; S392-A395 PolarHBondContact OG-N 2.87Å; P393-A395 PolarHBondContact O-N 2.68Å; A395-Y397 VanDerWaalsContact C-N 3.26Å; A395-Y397 PolarHBondContact O-N 2.89Å; A395-S398 PolarHBondContact O-N 2.79Å; A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.31Å; A395-I399 PolarHBondContact O-N 3.42Å
396	I	96.2	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-44.3	177.8	-64.3	171	0	0	0	110	P391 S392 P393 S398 I399 Y400 A448 L459	P391-I396 HydrophobicContact CB-CG1 4.04Å; P391-I396 HydrophobicContact CG-CD1 4.47Å; P391-I396 HydrophobicContact CG-CG1 3.8Å; S392-I396 VanDerWaalsContact O-CG1 3.29Å; S392-I396 WeakPolarHBondContact O-CG1 3.47Å; S392-I396 PolarHBondContact O-N 3.27Å; P393-I396 PolarHBondContact O-N 3.4Å; I396-S398 VanDerWaalsContact C-N 3.35Å; I396-S398 PolarHBondContact O-N 2.85Å; I396-I399 PolarHBondContact O-N 3.31Å; I396-Y400 HydrophobicContact CG2-CD2 3.92Å; I396-Y400 HydrophobicContact CG2-CE2 3.56Å; I396-Y400 PolarHBondContact O-N 3.02Å; I396-A448 HydrophobicContact CB-CB 4.11Å; I396-A448 HydrophobicContact CG2-CB 3.82Å; I396-L459 HydrophobicContact CB-CD1 4.46Å; I396-L459 HydrophobicContact CD1-CD1 4.47Å; I396-L459 HydrophobicContact CG1-CD1 3.74Å; I396-L459 HydrophobicContact CG2-CD1 4.34Å; I396-L459 HydrophobicContact CG2-CD2 3.87Å
397	Y	95.8	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56	-49.4	176.5	179.3	-96.6	0	0	0	111.3	P393 P394 A395 I399 Y400 R401 L422 L427 S441 L444 W445	P393-Y397 WeakPolarHBondContact O-CB 3.36Å; P393-Y397 PolarHBondContact O-N 3.2Å; P394-Y397 WeakPolarHBondContact O-CB 3.43Å; P394-Y397 PolarHBondContact O-N 2.8Å; A395-Y397 VanDerWaalsContact C-N 3.26Å; A395-Y397 PolarHBondContact O-N 2.89Å; Y397-I399 PolarHBondContact O-N 3.21Å; Y397-Y400 PolarHBondContact O-N 3.09Å; Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.32Å; Y397-R401 PolarHBondContact O-N 3.49Å; Y397-L422 WeakPolarHBondContact CE1-O 3.21Å; Y397-L422 PolarHBondContact OH-O 3.28Å; Y397-L427 HydrophobicContact CE1-CD1 4.27Å; Y397-L427 HydrophobicContact CE2-CD1 4Å; Y397-S441 WeakPolarHBondContact CE2-O 3.48Å; Y397-L444 HydrophobicContact CD2-CB 4.41Å; Y397-L444 HydrophobicContact CD2-CD2 4.25Å; Y397-L444 HydrophobicContact CD2-CG 4.04Å; Y397-L444 HydrophobicContact CE2-CB 3.9Å; Y397-L444 HydrophobicContact CE2-CD2 3.79Å; Y397-L444 HydrophobicContact CE2-CG 3.83Å; Y397-W445 HydrophobicContact CD2-CB 4.14Å; Y397-W445 HydrophobicContact CD2-CE3 4.31Å; Y397-W445 HydrophobicContact CE2-CB 4.18Å; Y397-W445 HydrophobicContact CG-CE3 4.34Å
398	S	93.3	Very high	94.1	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-32.5	178.6	-76.7	0	0	0	0	113.6	Y146 P394 A395 I396 R401 T402	Y146-S398 WeakPolarHBondContact CB-OG 3.3Å; Y146-S398 PolarHBondContact O-OG 3.4Å; P394-S398 PolarHBondContact O-N 2.89Å; P394-S398 VanDerWaalsContact O-N 3.17Å; A395-S398 PolarHBondContact O-N 2.79Å; I396-S398 VanDerWaalsContact C-N 3.35Å; I396-S398 PolarHBondContact O-N 2.85Å; S398-R401 PolarHBondContact O-N 3.33Å; S398-T402 VanDerWaalsContact O-CG2 3.32Å; S398-T402 WeakPolarHBondContact O-CG2 3.31Å; S398-T402 PolarHBondContact O-N 2.89Å; S398-T402 PolarHBondContact O-OG1 3.31Å; S398-T402 VanDerWaalsContact O-OG1 3.09Å
399	I	95	Very high	93.8	Very high	8 Å²	8	32 Å²	32	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-49.3	170.3	-68.5	165.4	0	0	0	109.8	I209 P391 A395 I396 Y397 T402 C403 L459 R460	I209-I399 HydrophobicContact CB-CG1 4.2Å; I209-I399 HydrophobicContact CD1-CG1 3.86Å; P391-I399 HydrophobicContact CB-CD1 4.32Å; P391-I399 HydrophobicContact CG-CD1 4.27Å; A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.31Å; A395-I399 PolarHBondContact O-N 3.42Å; I396-I399 PolarHBondContact O-N 3.31Å; Y397-I399 PolarHBondContact O-N 3.21Å; I399-T402 PolarHBondContact O-N 2.57Å; I399-T402 PolarHBondContact O-OG1 3.09Å; I399-C403 PolarHBondContact O-N 3.41Å; I399-C403 PolarHBondContact O-SG 2.91Å; I399-C403 VanDerWaalsContact O-SG 3.35Å; I399-L459 HydrophobicContact CD1-CD1 4.02Å; I399-L459 HydrophobicContact CG2-CB 4.12Å; I399-R460 HydrophobicContact CG2-CG 3.97Å
400	Y	96.4	Very high	93.7	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-43	177.6	-70.2	-34.2	0	0	0	112.8	I396 Y397 T402 C403 L404 L444 L447 A448 S451 L459 L462 L566 V570	I396-Y400 HydrophobicContact CG2-CD2 3.92Å; I396-Y400 HydrophobicContact CG2-CE2 3.56Å; I396-Y400 PolarHBondContact O-N 3.02Å; Y397-Y400 PolarHBondContact O-N 3.09Å; Y400-T402 VanDerWaalsContact C-N 3.33Å; Y400-T402 PolarHBondContact O-N 2.76Å; Y400-C403 PolarHBondContact O-N 3.12Å; Y400-L404 WeakPolarHBondContact O-CB 3.31Å; Y400-L404 VanDerWaalsContact O-CG 3.28Å; Y400-L404 WeakPolarHBondContact O-CG 3.4Å; Y400-L404 PolarHBondContact O-N 3.28Å; Y400-L444 HydrophobicContact CD2-CD1 4.17Å; Y400-L444 HydrophobicContact CG-CD1 4.35Å; Y400-L447 HydrophobicContact CE2-CD2 4.24Å; Y400-L447 HydrophobicContact CE2-CG 4Å; Y400-A448 HydrophobicContact CD2-CB 4.49Å; Y400-S451 WeakPolarHBondContact OH-CB 3.43Å; Y400-S451 PolarHBondContact OH-OG 2.92Å; Y400-L459 HydrophobicContact CE1-CD2 4.1Å; Y400-L459 WeakPolarHBondContact OH-CD2 3.5Å; Y400-L462 HydrophobicContact CE1-CD1 3.89Å; Y400-L462 WeakPolarHBondContact OH-CD1 3.48Å; Y400-L566 HydrophobicContact CD1-CD2 3.97Å; Y400-L566 HydrophobicContact CE1-CD2 4.1Å; Y400-L566 HydrophobicContact CG-CD2 4.21Å; Y400-V570 WeakPolarHBondContact OH-CG2 3.49Å
401	R	94.6	Very high	93.5	Very high	14 Å²	14	32.7 Å²	32.7	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-56.1	-48.2	177.2	-172.3	176.4	-178.1	-88	-17.3	111	D147 D149 Y397 S398 L404 Y405 L421 L422	D147-R401 IonicContact OD1-CZ 3.51Å; D147-R401 IonicContact OD1-NH1 3.57Å; D147-R401 PolarHBondContact OD1-NH1 3.3Å; D149-R401 IonicContact OD2-CZ 2.79Å; D149-R401 IonicContact OD2-NH1 3.48Å; D149-R401 PolarHBondContact OD2-NH1 3.49Å; D149-R401 IonicContact OD2-NH2 3.43Å; D149-R401 PolarHBondContact OD2-NH2 3.07Å; Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.32Å; Y397-R401 PolarHBondContact O-N 3.49Å; S398-R401 PolarHBondContact O-N 3.33Å; R401-L404 PolarHBondContact O-N 2.95Å; R401-Y405 HydrophobicContact CG-CD2 3.81Å; R401-Y405 HydrophobicContact CG-CE2 3.55Å; R401-Y405 PolarHBondContact NH2-OH 3.35Å; R401-Y405 WeakPolarHBondContact O-CD2 3.48Å; R401-Y405 PolarHBondContact O-N 2.88Å; R401-L421 HydrophobicContact CG-CB 4.3Å; R401-L421 PolarHBondContact NE-O 2.65Å; R401-L421 VanDerWaalsContact NE-O 3.09Å; R401-L421 PolarHBondContact NH2-O 3.27Å; R401-L422 PolarHBondContact NE-O 2.91Å
402	T	93.1	Very high	93.2	Very high	61 Å²	61	34.1 Å²	34.1	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-63	-42.4	176.6	56.6	0	0	0	0	112.3	I209 S398 I399 Y400 L404 Y405 E406	I209-T402 HydrophobicContact CD1-CG2 4.17Å; S398-T402 VanDerWaalsContact O-CG2 3.32Å; S398-T402 WeakPolarHBondContact O-CG2 3.31Å; S398-T402 PolarHBondContact O-N 2.89Å; S398-T402 PolarHBondContact O-OG1 3.31Å; S398-T402 VanDerWaalsContact O-OG1 3.09Å; I399-T402 PolarHBondContact O-N 2.57Å; I399-T402 PolarHBondContact O-OG1 3.09Å; Y400-T402 VanDerWaalsContact C-N 3.33Å; Y400-T402 PolarHBondContact O-N 2.76Å; T402-L404 PolarHBondContact O-N 3.09Å; T402-Y405 PolarHBondContact O-N 2.97Å; T402-E406 PolarHBondContact O-N 3.06Å
403	C	95.1	Very high	92.9	Very high	15 Å²	15	32.9 Å²	32.9	10%	0.101	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-42.9	174.7	-72.4	0	0	0	0	112.6	I399 Y400 E406 L407 P463	I399-C403 PolarHBondContact O-N 3.41Å; I399-C403 PolarHBondContact O-SG 2.91Å; I399-C403 VanDerWaalsContact O-SG 3.35Å; Y400-C403 PolarHBondContact O-N 3.12Å; C403-E406 PolarHBondContact O-N 3.43Å; C403-L407 WeakPolarHBondContact O-CG 3.38Å; C403-L407 PolarHBondContact O-N 3.35Å; C403-L407 VanDerWaalsContact O-N 3.08Å; C403-P463 HydrophobicContact CB-CG 3.76Å
404	L	94.3	Very high	92.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-42.5	179.8	-69.5	171.9	0	0	0	111.6	Y400 R401 T402 E406 L407 I408 I413 L421 L444 L559 F562 I563	Y400-L404 WeakPolarHBondContact O-CB 3.31Å; Y400-L404 VanDerWaalsContact O-CG 3.28Å; Y400-L404 WeakPolarHBondContact O-CG 3.4Å; Y400-L404 PolarHBondContact O-N 3.28Å; R401-L404 PolarHBondContact O-N 2.95Å; T402-L404 PolarHBondContact O-N 3.09Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.42Å; L404-L407 PolarHBondContact O-N 2.99Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.38Å; L404-I408 PolarHBondContact O-N 3.48Å; L404-I413 HydrophobicContact CD2-CD1 3.83Å; L404-L421 HydrophobicContact CB-CD1 3.95Å; L404-L421 HydrophobicContact CD1-CD1 3.62Å; L404-L421 HydrophobicContact CG-CD1 4.44Å; L404-L444 HydrophobicContact CD1-CD1 3.78Å; L404-L444 HydrophobicContact CD1-CD2 3.68Å; L404-L444 HydrophobicContact CD1-CG 4.38Å; L404-L559 HydrophobicContact CB-CD1 4.45Å; L404-L559 HydrophobicContact CD1-CD1 4.26Å; L404-L559 HydrophobicContact CD2-CD1 4.09Å; L404-F562 HydrophobicContact CD2-CD1 3.33Å; L404-F562 HydrophobicContact CD2-CE1 3.57Å; L404-F562 HydrophobicContact CD2-CG 4.25Å; L404-I563 HydrophobicContact CD1-CG1 4.38Å
405	Y	92.2	Very high	91.6	Very high	65 Å²	65	37 Å²	37	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-62.9	-36.5	174.8	-81.8	-58.7	0	0	0	112.8	R401 T402 I408 R409 R420 L421	R401-Y405 HydrophobicContact CG-CD2 3.81Å; R401-Y405 HydrophobicContact CG-CE2 3.55Å; R401-Y405 PolarHBondContact NH2-OH 3.35Å; R401-Y405 WeakPolarHBondContact O-CD2 3.48Å; R401-Y405 PolarHBondContact O-N 2.88Å; T402-Y405 PolarHBondContact O-N 2.97Å; Y405-I408 HydrophobicContact CD1-CD1 4.26Å; Y405-I408 PolarHBondContact O-N 3.34Å; Y405-R409 VanDerWaalsContact O-CB 3.32Å; Y405-R409 WeakPolarHBondContact O-CB 3.32Å; Y405-R409 PolarHBondContact O-N 2.88Å; Y405-R420 WeakPolarHBondContact OH-CG 3.43Å; Y405-L421 HydrophobicContact CE2-CB 4.21Å; Y405-L421 PolarHBondContact OH-N 3.18Å; Y405-L421 PolarHBondContact OH-O 2.91Å
406	E	92.4	Very high	90.5	Very high	87 Å²	87	41.7 Å²	41.7	41%	0.407	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-44	173.9	179.6	55.8	-162.4	0	0	111.3	T402 C403 L404 I408 R409 V410	T402-E406 PolarHBondContact O-N 3.06Å; C403-E406 PolarHBondContact O-N 3.43Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.42Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 2.73Å; E406-R409 WeakPolarHBondContact O-CB 3.43Å; E406-R409 PolarHBondContact O-N 2.78Å; E406-R409 IonicContact OE1-CZ 2.67Å; E406-R409 IonicContact OE1-NE 3.3Å; E406-R409 PolarHBondContact OE1-NE 2.64Å; E406-R409 IonicContact OE1-NH2 3.12Å; E406-R409 PolarHBondContact OE1-NH2 3.07Å; E406-R409 IonicContact OE2-CZ 3.28Å; E406-R409 IonicContact OE2-NE 3.63Å; E406-R409 PolarHBondContact OE2-NE 3.18Å; E406-R409 IonicContact OE2-NH2 3.18Å; E406-V410 WeakPolarHBondContact O-CG2 3.19Å; E406-V410 PolarHBondContact O-N 2.79Å
407	L	92.7	Very high	88.7	Confident	26 Å²	26	51.2 Å²	51.2	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-34.7	176.5	-67.4	176.4	0	0	0	113.1	C403 L404 V410 G411 L412 I413 P463 F562	C403-L407 WeakPolarHBondContact O-CG 3.38Å; C403-L407 PolarHBondContact O-N 3.35Å; C403-L407 VanDerWaalsContact O-N 3.08Å; L404-L407 PolarHBondContact O-N 2.99Å; L407-V410 WeakPolarHBondContact O-CG2 3.33Å; L407-G411 PolarHBondContact O-N 3.06Å; L407-L412 HydrophobicContact CB-CB 4.43Å; L407-L412 HydrophobicContact CD2-CB 4.23Å; L407-L412 HydrophobicContact CD2-CD1 3.59Å; L407-L412 PolarHBondContact O-N 3.43Å; L407-I413 HydrophobicContact CB-CD1 3.56Å; L407-I413 HydrophobicContact CB-CG1 3.87Å; L407-I413 HydrophobicContact CD1-CD1 3.77Å; L407-I413 HydrophobicContact CG-CD1 4.34Å; L407-I413 PolarHBondContact O-N 3.29Å; L407-P463 HydrophobicContact CD1-CB 4.09Å; L407-F562 HydrophobicContact CD1-CD2 4.42Å; L407-F562 HydrophobicContact CD1-CE1 3.93Å; L407-F562 HydrophobicContact CD1-CE2 3.6Å; L407-F562 HydrophobicContact CD1-CZ 3.31Å
408	I	91.4	Very high	86.9	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.195	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-45.5	172	-67.7	164.5	0	0	0	110.1	L404 Y405 E406 V410 G411 I413 L559	L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.38Å; L404-I408 PolarHBondContact O-N 3.48Å; Y405-I408 HydrophobicContact CD1-CD1 4.26Å; Y405-I408 PolarHBondContact O-N 3.34Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 2.73Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 3.39Å; I408-G411 PolarHBondContact O-N 3.46Å; I408-I413 HydrophobicContact CG1-CB 3.93Å; I408-I413 HydrophobicContact CG1-CG2 3.96Å; I408-L559 HydrophobicContact CD1-CD1 4.43Å
409	R	89.9	Confident	85.6	Confident	178 Å²	178	58.5 Å²	58.5	67%	0.672	30%	0.304	S	S	*	.	H	α-helix	trans	-57.5	-42.4	-179.7	-173.2	-170.1	73.6	85.5	0.2	111.9	Y405 E406 G411	Y405-R409 VanDerWaalsContact O-CB 3.32Å; Y405-R409 WeakPolarHBondContact O-CB 3.32Å; Y405-R409 PolarHBondContact O-N 2.88Å; E406-R409 WeakPolarHBondContact O-CB 3.43Å; E406-R409 PolarHBondContact O-N 2.78Å; E406-R409 IonicContact OE1-CZ 2.67Å; E406-R409 IonicContact OE1-NE 3.3Å; E406-R409 PolarHBondContact OE1-NE 2.64Å; E406-R409 IonicContact OE1-NH2 3.12Å; E406-R409 PolarHBondContact OE1-NH2 3.07Å; E406-R409 IonicContact OE2-CZ 3.28Å; E406-R409 IonicContact OE2-NE 3.63Å; E406-R409 PolarHBondContact OE2-NE 3.18Å; E406-R409 IonicContact OE2-NH2 3.18Å; R409-G411 VanDerWaalsContact C-N 3.28Å; R409-G411 PolarHBondContact O-N 3.35Å
410	V	90.9	Very high	84.9	Confident	71 Å²	71	66.6 Å²	66.6	43%	0.43	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.9	177.8	-57.6	0	0	0	0	113.6	E406 L407 I408 L412	E406-V410 WeakPolarHBondContact O-CG2 3.19Å; E406-V410 PolarHBondContact O-N 2.79Å; L407-V410 WeakPolarHBondContact O-CG2 3.33Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 3.39Å; V410-L412 HydrophobicContact CG2-CB 4.09Å; V410-L412 HydrophobicContact CG2-CD1 3.74Å; V410-L412 HydrophobicContact CG2-CG 3.77Å
411	G	89	Confident	84.6	Confident	27 Å²	27	66.6 Å²	66.6	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	21.4	178.7	0	0	0	0	0	114.8	L407 I408 R409	L407-G411 PolarHBondContact O-N 3.06Å; I408-G411 PolarHBondContact O-N 3.46Å; R409-G411 VanDerWaalsContact C-N 3.28Å; R409-G411 PolarHBondContact O-N 3.35Å
412	L	88.4	Confident	84.4	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.246	34%	0.344	C	S	.	.	S	Bend	trans	-80.3	-22.4	171.4	-76.2	173.2	0	0	0	112.6	L407 V410 Y467 V552	L407-L412 HydrophobicContact CB-CB 4.43Å; L407-L412 HydrophobicContact CD2-CB 4.23Å; L407-L412 HydrophobicContact CD2-CD1 3.59Å; L407-L412 PolarHBondContact O-N 3.43Å; V410-L412 HydrophobicContact CG2-CB 4.09Å; V410-L412 HydrophobicContact CG2-CD1 3.74Å; V410-L412 HydrophobicContact CG2-CG 3.77Å; L412-Y467 HydrophobicContact CB-CE2 4.44Å; L412-Y467 HydrophobicContact CD2-CE2 4.14Å; L412-V552 HydrophobicContact CD2-CG1 3.22Å; L412-V552 HydrophobicContact CG-CG1 4.44Å
413	I	88.4	Confident	84.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	-123.8	125.1	173.9	-62.5	175.3	0	0	0	108.2	L404 L407 I408 S415 L559 F562	L404-I413 HydrophobicContact CD2-CD1 3.83Å; L407-I413 HydrophobicContact CB-CD1 3.56Å; L407-I413 HydrophobicContact CB-CG1 3.87Å; L407-I413 HydrophobicContact CD1-CD1 3.77Å; L407-I413 HydrophobicContact CG-CD1 4.34Å; L407-I413 PolarHBondContact O-N 3.29Å; I408-I413 HydrophobicContact CG1-CB 3.93Å; I408-I413 HydrophobicContact CG1-CG2 3.96Å; I413-S415 PolarHBondContact O-N 2.98Å; I413-L559 HydrophobicContact CG2-CB 3.88Å; I413-L559 HydrophobicContact CG2-CD1 4.06Å; I413-F562 HydrophobicContact CD1-CB 3.82Å; I413-F562 HydrophobicContact CD1-CD1 3.86Å; I413-F562 HydrophobicContact CD1-CD2 3.54Å; I413-F562 HydrophobicContact CD1-CE1 4.34Å; I413-F562 HydrophobicContact CD1-CE2 4.07Å; I413-F562 HydrophobicContact CD1-CG 3.44Å; I413-F562 VanDerWaalsContact CD1-CG 3.44Å; I413-F562 HydrophobicContact CD1-CZ 4.44Å; I413-F562 HydrophobicContact CG1-CB 4.27Å; I413-F562 HydrophobicContact CG1-CD2 3.84Å; I413-F562 HydrophobicContact CG1-CE2 4.49Å; I413-F562 HydrophobicContact CG1-CG 4.11Å
414	N	85.2	Confident	83.9	Confident	76 Å²	76	67.3 Å²	67.3	41%	0.406	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-79.6	120.7	172.1	-67.7	-25.5	0	0	0	109.5	N556 V557 L559	N414-N556 PolarHBondContact ND2-OD1 3.49Å; N414-V557 PolarHBondContact N-O 3.25Å; N414-L559 PolarHBondContact O-N 3.26Å
415	S	75.8	Confident	83.4	Confident	55 Å²	55	71.9 Å²	71.9	39%	0.385	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-101.7	124.2	172.6	-172.8	0	0	0	0	109.1	I413 S419	I413-S415 PolarHBondContact O-N 2.98Å; S415-S419 PolarHBondContact OG-OG 2.97Å
416	T	70.8	Confident	83.2	Confident	99 Å²	99	70.9 Å²	70.9	61%	0.607	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-77.5	156.7	164	51.9	0	0	0	0	109.4	D418 S419	T416-D418 PolarHBondContact O-N 2.8Å; T416-D418 VanDerWaalsContact O-N 3.08Å; T416-S419 PolarHBondContact N-OG 3.19Å; T416-S419 PolarHBondContact O-N 3.48Å; T416-S419 PolarHBondContact O-OG 3.26Å; T416-S419 PolarHBondContact OG1-OG 3.39Å
417	E	59.2	Low	83.1	Confident	199 Å²	199	66.8 Å²	66.8	93%	0.93	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-54.5	-32	-177.2	-65	-170	168.6	0	0	113	S419	E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 3.19Å
418	D	56.5	Low	83	Confident	149 Å²	149	67 Å²	67	80%	0.797	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-78.4	-0.4	179.2	-62.5	-39.5	0	0	0	115.3	T416	T416-D418 PolarHBondContact O-N 2.8Å; T416-D418 VanDerWaalsContact O-N 3.08Å
419	S	65.7	Low	82.9	Confident	8 Å²	8	69.3 Å²	69.3	6%	0.056	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-104.5	25.4	-169.4	55.8	0	0	0	0	115.1	S415 T416 E417 L421 L559	S415-S419 PolarHBondContact OG-OG 2.97Å; T416-S419 PolarHBondContact N-OG 3.19Å; T416-S419 PolarHBondContact O-N 3.48Å; T416-S419 PolarHBondContact O-OG 3.26Å; T416-S419 PolarHBondContact OG1-OG 3.39Å; E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 3.19Å; S419-L421 PolarHBondContact O-N 2.81Å; S419-L559 WeakPolarHBondContact O-CD2 3.4Å
420	R	81.9	Confident	82.9	Confident	179 Å²	179	63.4 Å²	63.4	68%	0.675	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-64.8	120.5	176.3	-164.3	179.2	-162.6	129.7	1.1	110.6	Y405 L422	Y405-R420 WeakPolarHBondContact OH-CG 3.43Å; R420-L422 PolarHBondContact O-N 3.46Å
421	L	89.7	Confident	82.9	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-71.3	117	173.8	-64.5	170.9	0	0	0	110.1	R401 L404 Y405 S419 L440 S441 L444 L559	R401-L421 HydrophobicContact CG-CB 4.3Å; R401-L421 PolarHBondContact NE-O 2.65Å; R401-L421 VanDerWaalsContact NE-O 3.09Å; R401-L421 PolarHBondContact NH2-O 3.27Å; L404-L421 HydrophobicContact CB-CD1 3.95Å; L404-L421 HydrophobicContact CD1-CD1 3.62Å; L404-L421 HydrophobicContact CG-CD1 4.44Å; Y405-L421 HydrophobicContact CE2-CB 4.21Å; Y405-L421 PolarHBondContact OH-N 3.18Å; Y405-L421 PolarHBondContact OH-O 2.91Å; S419-L421 PolarHBondContact O-N 2.81Å; L421-L440 HydrophobicContact CD2-CB 4.2Å; L421-S441 WeakPolarHBondContact CA-OG 3.28Å; L421-L444 HydrophobicContact CD1-CD2 3.97Å; L421-L444 HydrophobicContact CD2-CD2 4.21Å; L421-L559 HydrophobicContact CD1-CD2 4.38Å; L421-L559 HydrophobicContact CD2-CD2 4.14Å; L421-L559 HydrophobicContact CG-CD2 4.12Å
422	L	89.9	Confident	83	Confident	49 Å²	49	69.2 Å²	69.2	26%	0.257	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-64.5	156.6	176.3	-60	-173.6	0	0	0	110.4	Y397 R401 R420 T426 L427 N438 S441	Y397-L422 WeakPolarHBondContact CE1-O 3.21Å; Y397-L422 PolarHBondContact OH-O 3.28Å; R401-L422 PolarHBondContact NE-O 2.91Å; R420-L422 PolarHBondContact O-N 3.46Å; L422-T426 HydrophobicContact CB-CG2 4.38Å; L422-T426 HydrophobicContact CD1-CG2 4.13Å; L422-T426 HydrophobicContact CD2-CG2 4.35Å; L422-L427 HydrophobicContact CB-CD2 4.14Å; L422-L427 HydrophobicContact CB-CG 4.16Å; L422-L427 HydrophobicContact CD1-CD2 4.03Å; L422-N438 HydrophobicContact CD1-CB 3.52Å; L422-N438 HydrophobicContact CG-CB 4.38Å; L422-S441 PolarHBondContact N-OG 2.88Å
423	S	88.1	Confident	83.1	Confident	4 Å²	4	73 Å²	73	3%	0.028	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-79.1	162.1	171.9	64.6	0	0	0	0	112.7	D147 Q425 T426 L427	D147-S423 VanDerWaalsContact OD1-CB 3.28Å; D147-S423 WeakPolarHBondContact OD1-CB 3.43Å; D147-S423 WeakPolarHBondContact OD2-CB 3.35Å; D147-S423 PolarHBondContact OD2-OG 3.44Å; S423-Q425 VanDerWaalsContact C-N 3.29Å; S423-Q425 PolarHBondContact O-N 2.93Å; S423-T426 PolarHBondContact O-N 3.22Å; S423-T426 PolarHBondContact OG-N 3.2Å; S423-T426 PolarHBondContact OG-OG1 2.88Å; S423-L427 WeakPolarHBondContact O-CG 3.44Å; S423-L427 PolarHBondContact O-N 3.48Å
424	Y	89.3	Confident	83.3	Confident	51 Å²	51	77.3 Å²	77.3	20%	0.2	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-45.8	176.4	174.4	-99.6	0	0	0	111.5	Y146 P394 T426 L427 A428 F432 W445	Y146-Y424 AromaticContact CD2-CD1 3.7Å; Y146-Y424 HydrophobicContact CD2-CD1 3.7Å; Y146-Y424 HydrophobicContact CD2-CE1 4.28Å; Y146-Y424 HydrophobicContact CD2-CG 4.12Å; Y146-Y424 HydrophobicContact CE2-CD1 4.39Å; P394-Y424 HydrophobicContact CB-CD1 4.15Å; P394-Y424 HydrophobicContact CB-CD2 3.89Å; P394-Y424 HydrophobicContact CB-CE1 4.05Å; P394-Y424 HydrophobicContact CB-CE2 3.8Å; P394-Y424 HydrophobicContact CB-CG 4.06Å; P394-Y424 HydrophobicContact CG-CD2 4.13Å; P394-Y424 HydrophobicContact CG-CE1 4.14Å; P394-Y424 HydrophobicContact CG-CE2 3.54Å; Y424-T426 VanDerWaalsContact C-N 3.29Å; Y424-T426 PolarHBondContact O-N 3.22Å; Y424-L427 WeakPolarHBondContact O-CB 3.46Å; Y424-L427 PolarHBondContact O-N 3.22Å; Y424-L427 VanDerWaalsContact O-N 3.11Å; Y424-A428 HydrophobicContact CE1-CB 4.45Å; Y424-A428 WeakPolarHBondContact O-CB 3.46Å; Y424-A428 PolarHBondContact O-N 3.2Å; Y424-F432 HydrophobicContact CD2-CE1 4.4Å; Y424-F432 HydrophobicContact CD2-CZ 4.37Å; Y424-F432 HydrophobicContact CE2-CE1 4.04Å; Y424-F432 AromaticContact CE2-CZ 3.66Å; Y424-F432 HydrophobicContact CE2-CZ 3.66Å; Y424-W445 HydrophobicContact CD2-CE3 4.01Å; Y424-W445 HydrophobicContact CD2-CH2 4.3Å; Y424-W445 AromaticContact CD2-CZ3 3.63Å; Y424-W445 HydrophobicContact CD2-CZ3 3.63Å; Y424-W445 HydrophobicContact CE2-CE3 4.12Å; Y424-W445 AromaticContact CE2-CH2 3.62Å; Y424-W445 HydrophobicContact CE2-CH2 3.62Å; Y424-W445 HydrophobicContact CE2-CZ2 4.44Å; Y424-W445 AromaticContact CE2-CZ3 3.43Å; Y424-W445 HydrophobicContact CE2-CZ3 3.43Å; Y424-W445 VanDerWaalsContact CE2-CZ3 3.43Å
425	Q	84.6	Confident	83.5	Confident	99 Å²	99	77.8 Å²	77.8	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-62.4	-38.1	179.8	-170	62.9	12.1	0	0	112.2	S423 A428 S429	S423-Q425 VanDerWaalsContact C-N 3.29Å; S423-Q425 PolarHBondContact O-N 2.93Å; Q425-A428 PolarHBondContact O-N 3.04Å; Q425-S429 WeakPolarHBondContact O-CB 3.36Å; Q425-S429 PolarHBondContact O-N 2.96Å
426	T	88.4	Confident	83.9	Confident	44 Å²	44	84.7 Å²	84.7	27%	0.27	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-40.1	175	-53.4	0	0	0	0	111.4	L422 S423 Y424 S429 V430	L422-T426 HydrophobicContact CB-CG2 4.38Å; L422-T426 HydrophobicContact CD1-CG2 4.13Å; L422-T426 HydrophobicContact CD2-CG2 4.35Å; S423-T426 PolarHBondContact O-N 3.22Å; S423-T426 PolarHBondContact OG-N 3.2Å; S423-T426 PolarHBondContact OG-OG1 2.88Å; Y424-T426 VanDerWaalsContact C-N 3.29Å; Y424-T426 PolarHBondContact O-N 3.22Å; T426-S429 PolarHBondContact O-N 3.37Å; T426-S429 PolarHBondContact O-OG 3.18Å; T426-V430 WeakPolarHBondContact O-CG2 3.48Å; T426-V430 PolarHBondContact O-N 2.82Å
427	L	90.6	Very high	84.6	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-64.1	-41.2	174	-71.5	178.1	0	0	0	111.9	Y397 L422 S423 Y424 V430 Q431 F432 N438 I442 W445	Y397-L427 HydrophobicContact CE1-CD1 4.27Å; Y397-L427 HydrophobicContact CE2-CD1 4Å; L422-L427 HydrophobicContact CB-CD2 4.14Å; L422-L427 HydrophobicContact CB-CG 4.16Å; L422-L427 HydrophobicContact CD1-CD2 4.03Å; S423-L427 WeakPolarHBondContact O-CG 3.44Å; S423-L427 PolarHBondContact O-N 3.48Å; Y424-L427 WeakPolarHBondContact O-CB 3.46Å; Y424-L427 PolarHBondContact O-N 3.22Å; Y424-L427 VanDerWaalsContact O-N 3.11Å; L427-V430 CarbonylContact O-C 3.54Å; L427-V430 WeakPolarHBondContact O-CG2 3.4Å; L427-V430 PolarHBondContact O-N 2.98Å; L427-Q431 PolarHBondContact O-N 3.35Å; L427-F432 HydrophobicContact CB-CD1 3.93Å; L427-F432 HydrophobicContact CB-CE1 3.84Å; L427-F432 PolarHBondContact O-N 3.02Å; L427-N438 HydrophobicContact CD2-CB 4.44Å; L427-I442 HydrophobicContact CD2-CD1 3.84Å; L427-I442 HydrophobicContact CD2-CG1 4.42Å; L427-W445 HydrophobicContact CD1-CB 4.3Å
428	A	89.6	Confident	86.1	Confident	31 Å²	31	74.4 Å²	74.4	26%	0.256	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-40.3	177.5	0	0	0	0	0	111.9	Y424 Q425 V430 Q431 F432	Y424-A428 HydrophobicContact CE1-CB 4.45Å; Y424-A428 WeakPolarHBondContact O-CB 3.46Å; Y424-A428 PolarHBondContact O-N 3.2Å; Q425-A428 PolarHBondContact O-N 3.04Å; A428-V430 VanDerWaalsContact C-N 3.33Å; A428-V430 PolarHBondContact O-N 2.93Å; A428-Q431 WeakPolarHBondContact O-CA 3.44Å; A428-Q431 PolarHBondContact O-N 3.26Å; A428-F432 HydrophobicContact CB-CE2 4.2Å; A428-F432 HydrophobicContact CB-CZ 4.12Å
429	S	88.7	Confident	87.8	Confident	86 Å²	86	69.2 Å²	69.2	60%	0.601	36%	0.359	S	S	*	.	H	α-helix	trans	-66.7	-33.8	178.9	72	0	0	0	0	112.8	Q425 T426 Q431	Q425-S429 WeakPolarHBondContact O-CB 3.36Å; Q425-S429 PolarHBondContact O-N 2.96Å; T426-S429 PolarHBondContact O-N 3.37Å; T426-S429 PolarHBondContact O-OG 3.18Å; S429-Q431 PolarHBondContact O-N 2.9Å
430	V	90.1	Very high	89	Confident	55 Å²	55	70.4 Å²	70.4	33%	0.333	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	13	171.5	-54.5	0	0	0	0	113.2	T426 L427 A428 F432 M433	T426-V430 WeakPolarHBondContact O-CG2 3.48Å; T426-V430 PolarHBondContact O-N 2.82Å; L427-V430 CarbonylContact O-C 3.54Å; L427-V430 WeakPolarHBondContact O-CG2 3.4Å; L427-V430 PolarHBondContact O-N 2.98Å; A428-V430 VanDerWaalsContact C-N 3.33Å; A428-V430 PolarHBondContact O-N 2.93Å; V430-F432 PolarHBondContact O-N 3.42Å; V430-F432 VanDerWaalsContact O-N 3.15Å; V430-M433 PolarHBondContact O-N 3.25Å; V430-M433 VanDerWaalsContact O-N 3.12Å
431	Q	91.7	Very high	89.6	Confident	152 Å²	152	62 Å²	62	71%	0.71	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	33.9	178	-58.3	-176.9	-23.4	0	0	113.7	L427 A428 S429 M433	L427-Q431 PolarHBondContact O-N 3.35Å; A428-Q431 WeakPolarHBondContact O-CA 3.44Å; A428-Q431 PolarHBondContact O-N 3.26Å; S429-Q431 PolarHBondContact O-N 2.9Å; Q431-M433 PolarHBondContact O-N 2.84Å
432	F	91.2	Very high	89.8	Confident	67 Å²	67	62.1 Å²	62.1	29%	0.294	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	22.4	-179.1	-53.5	-91.7	0	0	0	114.1	Y424 L427 A428 V430 E434 I442 W445	Y424-F432 HydrophobicContact CD2-CE1 4.4Å; Y424-F432 HydrophobicContact CD2-CZ 4.37Å; Y424-F432 HydrophobicContact CE2-CE1 4.04Å; Y424-F432 AromaticContact CE2-CZ 3.66Å; Y424-F432 HydrophobicContact CE2-CZ 3.66Å; L427-F432 HydrophobicContact CB-CD1 3.93Å; L427-F432 HydrophobicContact CB-CE1 3.84Å; L427-F432 PolarHBondContact O-N 3.02Å; A428-F432 HydrophobicContact CB-CE2 4.2Å; A428-F432 HydrophobicContact CB-CZ 4.12Å; V430-F432 PolarHBondContact O-N 3.42Å; V430-F432 VanDerWaalsContact O-N 3.15Å; F432-E434 PolarHBondContact O-N 3.01Å; F432-I442 HydrophobicContact CB-CD1 4.09Å; F432-I442 HydrophobicContact CD1-CD1 4.48Å; F432-I442 WeakPolarHBondContact O-CD1 3.43Å; F432-W445 AromaticContact CD1-CD1 3.91Å; F432-W445 HydrophobicContact CD1-CD2 4.25Å; F432-W445 HydrophobicContact CD1-CG 4.12Å; F432-W445 AromaticContact CD1-NE1 3.91Å; F432-W445 AromaticContact CE1-CD2 3.81Å; F432-W445 HydrophobicContact CE1-CD2 3.81Å; F432-W445 AromaticContact CE1-CE2 3.73Å; F432-W445 HydrophobicContact CE1-CE3 4.29Å; F432-W445 HydrophobicContact CE1-CG 4.14Å; F432-W445 HydrophobicContact CE1-CZ2 4.16Å; F432-W445 HydrophobicContact CZ-CZ2 4.39Å
433	M	90.6	Very high	90	Very high	128 Å²	128	62 Å²	62	63%	0.631	33%	0.332	S	S	*	.			trans	-67.2	121.7	175.8	-72.8	-160.3	-70.3	0	0	110.4	V430 Q431 N438	V430-M433 PolarHBondContact O-N 3.25Å; V430-M433 VanDerWaalsContact O-N 3.12Å; Q431-M433 PolarHBondContact O-N 2.84Å; M433-N438 PolarHBondContact O-ND2 3.47Å; M433-N438 PolarHBondContact O-OD1 2.95Å
434	E	91.1	Very high	90.4	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.43	33%	0.331	S	S	.	.			trans	-78.3	128.6	-178.6	-171.8	169.8	-177	0	0	111.5	F432 N438 S439 I442 R446	F432-E434 PolarHBondContact O-N 3.01Å; E434-N438 WeakPolarHBondContact CA-OD1 3.45Å; E434-S439 PolarHBondContact OE1-OG 3.19Å; E434-I442 HydrophobicContact CB-CG1 4.32Å; E434-I442 HydrophobicContact CB-CG2 4.4Å; E434-I442 HydrophobicContact CG-CB 4.46Å; E434-I442 HydrophobicContact CG-CG1 4.4Å; E434-I442 HydrophobicContact CG-CG2 4.41Å; E434-R446 IonicContact OE2-CZ 2.83Å; E434-R446 IonicContact OE2-NH1 3.1Å; E434-R446 PolarHBondContact OE2-NH1 3.28Å; E434-R446 IonicContact OE2-NH2 2.72Å; E434-R446 PolarHBondContact OE2-NH2 3.02Å
435	N	89.5	Confident	90.7	Very high	86 Å²	86	60.7 Å²	60.7	46%	0.46	33%	0.326	S	S	.	.			trans	-138.5	177.2	170.9	66	39.6	0	0	0	109.8	A437 N438 S439	N435-A437 PolarHBondContact O-N 3.4Å; N435-A437 WeakPolarHBondContact OD1-CA 3.33Å; N435-A437 WeakPolarHBondContact OD1-CB 3.45Å; N435-A437 PolarHBondContact OD1-N 3.32Å; N435-N438 PolarHBondContact N-OD1 3.48Å; N435-N438 PolarHBondContact O-N 2.98Å; N435-N438 PolarHBondContact O-OD1 3.29Å; N435-N438 PolarHBondContact OD1-N 3.35Å; N435-N438 PolarHBondContact OD1-OD1 2.83Å; N435-S439 WeakPolarHBondContact O-CB 3.47Å; N435-S439 PolarHBondContact O-N 3.08Å
436	Q	85.4	Confident	91.3	Very high	200 Å²	200	62.2 Å²	62.2	94%	0.935	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.3	-178	-69.4	-178	-17.6	0	0	113.2
437	A	85.8	Confident	91.6	Very high	77 Å²	77	60.5 Å²	60.5	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.9	-176.6	0	0	0	0	0	113.5	N435	N435-A437 PolarHBondContact O-N 3.4Å; N435-A437 WeakPolarHBondContact OD1-CA 3.33Å; N435-A437 WeakPolarHBondContact OD1-CB 3.45Å; N435-A437 PolarHBondContact OD1-N 3.32Å
438	N	89.7	Confident	91.9	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	2.8	-177.2	72.3	6	0	0	0	114.5	L422 L427 M433 E434 N435 L440 S441 I442	L422-N438 HydrophobicContact CD1-CB 3.52Å; L422-N438 HydrophobicContact CG-CB 4.38Å; L427-N438 HydrophobicContact CD2-CB 4.44Å; M433-N438 PolarHBondContact O-ND2 3.47Å; M433-N438 PolarHBondContact O-OD1 2.95Å; E434-N438 WeakPolarHBondContact CA-OD1 3.45Å; N435-N438 PolarHBondContact N-OD1 3.48Å; N435-N438 PolarHBondContact O-N 2.98Å; N435-N438 PolarHBondContact O-OD1 3.29Å; N435-N438 PolarHBondContact OD1-N 3.35Å; N435-N438 PolarHBondContact OD1-OD1 2.83Å; N438-L440 VanDerWaalsContact C-N 3.29Å; N438-L440 PolarHBondContact O-N 3.23Å; N438-S441 WeakPolarHBondContact O-CA 3.41Å; N438-S441 VanDerWaalsContact O-CB 3.31Å; N438-S441 WeakPolarHBondContact O-CB 3.49Å; N438-S441 PolarHBondContact O-N 3.02Å; N438-I442 PolarHBondContact O-N 2.97Å
439	S	91.3	Very high	92.3	Very high	40 Å²	40	63.5 Å²	63.5	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-52.9	-42.2	-175.5	-178.4	0	0	0	0	113.2	E434 N435 S441 I442 E443	E434-S439 PolarHBondContact OE1-OG 3.19Å; N435-S439 WeakPolarHBondContact O-CB 3.47Å; N435-S439 PolarHBondContact O-N 3.08Å; S439-S441 VanDerWaalsContact C-N 3.34Å; S439-S441 PolarHBondContact O-N 3.37Å; S439-I442 PolarHBondContact O-N 3.44Å; S439-E443 PolarHBondContact O-N 2.89Å
440	L	92.1	Very high	92.6	Very high	34 Å²	34	64 Å²	64	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-35.1	176.5	-61.8	179.4	0	0	0	113.1	L421 N438 E443 L444 L559 V560 I563	L421-L440 HydrophobicContact CD2-CB 4.2Å; N438-L440 VanDerWaalsContact C-N 3.29Å; N438-L440 PolarHBondContact O-N 3.23Å; L440-E443 PolarHBondContact O-N 3.2Å; L440-L444 WeakPolarHBondContact O-CB 3.31Å; L440-L444 PolarHBondContact O-N 3.05Å; L440-L559 HydrophobicContact CD1-CD2 4.04Å; L440-L559 HydrophobicContact CD1-CG 4.42Å; L440-V560 HydrophobicContact CD1-CG2 4.16Å; L440-V560 HydrophobicContact CD2-CB 4.36Å; L440-V560 HydrophobicContact CD2-CG1 4.37Å; L440-V560 HydrophobicContact CD2-CG2 3.74Å; L440-I563 HydrophobicContact CB-CD1 4.26Å; L440-I563 HydrophobicContact CD2-CD1 4.46Å
441	S	93.8	Very high	92.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-39.1	176.1	-54.1	0	0	0	0	110.5	Y397 L421 L422 N438 S439 L444 W445	Y397-S441 WeakPolarHBondContact CE2-O 3.48Å; L421-S441 WeakPolarHBondContact CA-OG 3.28Å; L422-S441 PolarHBondContact N-OG 2.88Å; N438-S441 WeakPolarHBondContact O-CA 3.41Å; N438-S441 VanDerWaalsContact O-CB 3.31Å; N438-S441 WeakPolarHBondContact O-CB 3.49Å; N438-S441 PolarHBondContact O-N 3.02Å; S439-S441 VanDerWaalsContact C-N 3.34Å; S439-S441 PolarHBondContact O-N 3.37Å; S441-L444 PolarHBondContact O-N 3.08Å; S441-W445 WeakPolarHBondContact O-CB 3.35Å; S441-W445 PolarHBondContact O-N 2.64Å
442	I	94.4	Very high	93.1	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-40.4	174.3	-63.8	-64.7	0	0	0	111.6	L427 F432 E434 N438 S439 L444 W445 R446	L427-I442 HydrophobicContact CD2-CD1 3.84Å; L427-I442 HydrophobicContact CD2-CG1 4.42Å; F432-I442 HydrophobicContact CB-CD1 4.09Å; F432-I442 HydrophobicContact CD1-CD1 4.48Å; F432-I442 WeakPolarHBondContact O-CD1 3.43Å; E434-I442 HydrophobicContact CB-CG1 4.32Å; E434-I442 HydrophobicContact CB-CG2 4.4Å; E434-I442 HydrophobicContact CG-CB 4.46Å; E434-I442 HydrophobicContact CG-CG1 4.4Å; E434-I442 HydrophobicContact CG-CG2 4.41Å; N438-I442 PolarHBondContact O-N 2.97Å; S439-I442 PolarHBondContact O-N 3.44Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-W445 WeakPolarHBondContact O-CB 3.42Å; I442-W445 PolarHBondContact O-N 3.42Å; I442-R446 WeakPolarHBondContact O-CG 3.34Å; I442-R446 PolarHBondContact O-N 3.34Å
443	E	94.2	Very high	93.2	Very high	46 Å²	46	57.5 Å²	57.5	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-42.5	175.4	-169.4	176	-171.9	0	0	111.3	S439 L440 W445 R446 L447 I563	S439-E443 PolarHBondContact O-N 2.89Å; L440-E443 PolarHBondContact O-N 3.2Å; E443-W445 VanDerWaalsContact C-N 3.34Å; E443-R446 PolarHBondContact O-N 3.49Å; E443-L447 PolarHBondContact O-N 2.85Å; E443-I563 HydrophobicContact CB-CG2 4.41Å; E443-I563 HydrophobicContact CG-CG2 3.82Å
444	L	95.6	Very high	93.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-37.3	174.6	-172.1	65.5	0	0	0	112.3	Y397 Y400 L404 L421 L440 S441 I442 L447 A448	Y397-L444 HydrophobicContact CD2-CB 4.41Å; Y397-L444 HydrophobicContact CD2-CD2 4.25Å; Y397-L444 HydrophobicContact CD2-CG 4.04Å; Y397-L444 HydrophobicContact CE2-CB 3.9Å; Y397-L444 HydrophobicContact CE2-CD2 3.79Å; Y397-L444 HydrophobicContact CE2-CG 3.83Å; Y400-L444 HydrophobicContact CD2-CD1 4.17Å; Y400-L444 HydrophobicContact CG-CD1 4.35Å; L404-L444 HydrophobicContact CD1-CD1 3.78Å; L404-L444 HydrophobicContact CD1-CD2 3.68Å; L404-L444 HydrophobicContact CD1-CG 4.38Å; L421-L444 HydrophobicContact CD1-CD2 3.97Å; L421-L444 HydrophobicContact CD2-CD2 4.21Å; L440-L444 WeakPolarHBondContact O-CB 3.31Å; L440-L444 PolarHBondContact O-N 3.05Å; S441-L444 PolarHBondContact O-N 3.08Å; I442-L444 VanDerWaalsContact C-N 3.34Å; L444-L447 HydrophobicContact CD1-CD2 4.37Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 3.29Å; L444-A448 PolarHBondContact O-N 3.21Å
445	W	96.1	Very high	93.5	Very high	29 Å²	29	49.4 Å²	49.4	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-49.2	173	168.6	-104.1	0	0	0	111.9	P393 P394 Y397 Y424 L427 F432 S441 I442 E443 L447 A448 E449	P393-W445 HydrophobicContact CB-CH2 3.97Å; P393-W445 HydrophobicContact CB-CZ3 4.2Å; P394-W445 HydrophobicContact CB-CZ3 4.44Å; P394-W445 HydrophobicContact CG-CH2 3.93Å; P394-W445 HydrophobicContact CG-CZ3 3.99Å; Y397-W445 HydrophobicContact CD2-CB 4.14Å; Y397-W445 HydrophobicContact CD2-CE3 4.31Å; Y397-W445 HydrophobicContact CE2-CB 4.18Å; Y397-W445 HydrophobicContact CG-CE3 4.34Å; Y424-W445 HydrophobicContact CD2-CE3 4.01Å; Y424-W445 HydrophobicContact CD2-CH2 4.3Å; Y424-W445 AromaticContact CD2-CZ3 3.63Å; Y424-W445 HydrophobicContact CD2-CZ3 3.63Å; Y424-W445 HydrophobicContact CE2-CE3 4.12Å; Y424-W445 AromaticContact CE2-CH2 3.62Å; Y424-W445 HydrophobicContact CE2-CH2 3.62Å; Y424-W445 HydrophobicContact CE2-CZ2 4.44Å; Y424-W445 AromaticContact CE2-CZ3 3.43Å; Y424-W445 HydrophobicContact CE2-CZ3 3.43Å; Y424-W445 VanDerWaalsContact CE2-CZ3 3.43Å; L427-W445 HydrophobicContact CD1-CB 4.3Å; F432-W445 AromaticContact CD1-CD1 3.91Å; F432-W445 HydrophobicContact CD1-CD2 4.25Å; F432-W445 HydrophobicContact CD1-CG 4.12Å; F432-W445 AromaticContact CD1-NE1 3.91Å; F432-W445 AromaticContact CE1-CD2 3.81Å; F432-W445 HydrophobicContact CE1-CD2 3.81Å; F432-W445 AromaticContact CE1-CE2 3.73Å; F432-W445 HydrophobicContact CE1-CE3 4.29Å; F432-W445 HydrophobicContact CE1-CG 4.14Å; F432-W445 HydrophobicContact CE1-CZ2 4.16Å; F432-W445 HydrophobicContact CZ-CZ2 4.39Å; S441-W445 WeakPolarHBondContact O-CB 3.35Å; S441-W445 PolarHBondContact O-N 2.64Å; I442-W445 WeakPolarHBondContact O-CB 3.42Å; I442-W445 PolarHBondContact O-N 3.42Å; E443-W445 VanDerWaalsContact C-N 3.34Å; W445-L447 PolarHBondContact O-N 2.83Å; W445-A448 WeakPolarHBondContact O-CA 3.43Å; W445-A448 WeakPolarHBondContact O-CB 3.32Å; W445-A448 PolarHBondContact O-N 2.97Å; W445-E449 HydrophobicContact CD2-CG 4.33Å; W445-E449 HydrophobicContact CH2-CG 4.25Å; W445-E449 HydrophobicContact CZ2-CG 3.67Å; W445-E449 WeakPolarHBondContact CZ2-OE1 3.49Å; W445-E449 PolarHBondContact NE1-OE1 3.06Å; W445-E449 PolarHBondContact NE1-OE2 3.08Å; W445-E449 PolarHBondContact O-N 3.34Å
446	R	96.5	Very high	93.7	Very high	130 Å²	130	46.1 Å²	46.1	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-37.1	175.6	-69.9	171.2	-177.5	146.7	4.2	111.9	E434 I442 E443 H450	E434-R446 IonicContact OE2-CZ 2.83Å; E434-R446 IonicContact OE2-NH1 3.1Å; E434-R446 PolarHBondContact OE2-NH1 3.28Å; E434-R446 IonicContact OE2-NH2 2.72Å; E434-R446 PolarHBondContact OE2-NH2 3.02Å; I442-R446 WeakPolarHBondContact O-CG 3.34Å; I442-R446 PolarHBondContact O-N 3.34Å; E443-R446 PolarHBondContact O-N 3.49Å; R446-H450 WeakPolarHBondContact O-CB 3.43Å; R446-H450 PolarHBondContact O-N 2.7Å
447	L	96.6	Very high	94.1	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-41.1	174.4	-178.8	61.1	0	0	0	111.7	Y400 E443 L444 W445 H450 S451 L566 K567 V570	Y400-L447 HydrophobicContact CE2-CD2 4.24Å; Y400-L447 HydrophobicContact CE2-CG 4Å; E443-L447 PolarHBondContact O-N 2.85Å; L444-L447 HydrophobicContact CD1-CD2 4.37Å; L444-L447 WeakPolarHBondContact O-CB 3.29Å; L444-L447 PolarHBondContact O-N 3.29Å; W445-L447 PolarHBondContact O-N 2.83Å; L447-H450 PolarHBondContact O-N 2.82Å; L447-S451 WeakPolarHBondContact O-CB 3.38Å; L447-S451 PolarHBondContact O-N 3.18Å; L447-S451 PolarHBondContact O-OG 2.78Å; L447-S451 VanDerWaalsContact O-OG 3.1Å; L447-L566 HydrophobicContact CD2-CB 4.03Å; L447-L566 HydrophobicContact CD2-CD2 3.64Å; L447-L566 HydrophobicContact CD2-CG 3.77Å; L447-K567 HydrophobicContact CD1-CB 4.05Å; L447-K567 HydrophobicContact CD1-CG 4.22Å; L447-V570 HydrophobicContact CD1-CB 4.09Å; L447-V570 HydrophobicContact CD1-CG1 4.38Å; L447-V570 HydrophobicContact CD1-CG2 3.9Å
448	A	96.8	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-41.4	176.3	0	0	0	0	0	112.3	I396 Y400 L444 W445 H450 S451	I396-A448 HydrophobicContact CB-CB 4.11Å; I396-A448 HydrophobicContact CG2-CB 3.82Å; Y400-A448 HydrophobicContact CD2-CB 4.49Å; L444-A448 PolarHBondContact O-N 3.21Å; W445-A448 WeakPolarHBondContact O-CA 3.43Å; W445-A448 WeakPolarHBondContact O-CB 3.32Å; W445-A448 PolarHBondContact O-N 2.97Å; A448-H450 VanDerWaalsContact C-N 3.33Å; A448-S451 PolarHBondContact O-N 3.01Å
449	E	96.5	Very high	94.9	Very high	95 Å²	95	41.9 Å²	41.9	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-42	171.9	-67.6	-178.5	126.4	0	0	111.8	P393 W445 S451 L452	P393-E449 HydrophobicContact CB-CG 4.24Å; W445-E449 HydrophobicContact CD2-CG 4.33Å; W445-E449 HydrophobicContact CH2-CG 4.25Å; W445-E449 HydrophobicContact CZ2-CG 3.67Å; W445-E449 WeakPolarHBondContact CZ2-OE1 3.49Å; W445-E449 PolarHBondContact NE1-OE1 3.06Å; W445-E449 PolarHBondContact NE1-OE2 3.08Å; W445-E449 PolarHBondContact O-N 3.34Å; E449-S451 VanDerWaalsContact C-N 3.28Å; E449-S451 PolarHBondContact O-N 3.04Å; E449-L452 WeakPolarHBondContact O-CB 3.41Å; E449-L452 PolarHBondContact O-N 3.02Å
450	H	96.2	Very high	95.2	Very high	95 Å²	95	44.5 Å²	44.5	44%	0.44	22%	0.217	S	C	.	.	H	α-helix	trans	-67.1	-30	177.8	-165.2	58.5	0	0	0	113.2	R446 L447 A448 L452 D571 F574	R446-H450 WeakPolarHBondContact O-CB 3.43Å; R446-H450 PolarHBondContact O-N 2.7Å; L447-H450 PolarHBondContact O-N 2.82Å; A448-H450 VanDerWaalsContact C-N 3.33Å; H450-L452 VanDerWaalsContact C-N 3.25Å; H450-L452 PolarHBondContact O-N 3.19Å; H450-D571 IonicContact CD2-OD1 3.98Å; H450-D571 IonicContact NE2-OD1 3.41Å; H450-D571 PolarHBondContact NE2-OD1 2.72Å; H450-F574 WeakPolarHBondContact O-CE2 3.49Å; H450-F574 WeakPolarHBondContact O-CZ 3.49Å
451	S	96.8	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.1	179.9	-70.2	0	0	0	0	114.6	Y400 L447 A448 E449 G453 L454 V570	Y400-S451 WeakPolarHBondContact OH-CB 3.43Å; Y400-S451 PolarHBondContact OH-OG 2.92Å; L447-S451 WeakPolarHBondContact O-CB 3.38Å; L447-S451 PolarHBondContact O-N 3.18Å; L447-S451 PolarHBondContact O-OG 2.78Å; L447-S451 VanDerWaalsContact O-OG 3.1Å; A448-S451 PolarHBondContact O-N 3.01Å; E449-S451 VanDerWaalsContact C-N 3.28Å; E449-S451 PolarHBondContact O-N 3.04Å; S451-G453 PolarHBondContact O-N 3.38Å; S451-L454 WeakPolarHBondContact O-CB 3.44Å; S451-L454 WeakPolarHBondContact O-CG 3.39Å; S451-L454 PolarHBondContact O-N 3.42Å; S451-V570 WeakPolarHBondContact OG-CG1 3.13Å; S451-V570 WeakPolarHBondContact OG-CG2 3.44Å
452	L	95	Very high	95.5	Very high	84 Å²	84	48.6 Å²	48.6	44%	0.44	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.9	177.7	-177.6	64	0	0	0	111.4	P393 E449 H450 F574	P393-L452 HydrophobicContact CG-CD1 4.1Å; E449-L452 WeakPolarHBondContact O-CB 3.41Å; E449-L452 PolarHBondContact O-N 3.02Å; H450-L452 VanDerWaalsContact C-N 3.25Å; H450-L452 PolarHBondContact O-N 3.19Å; L452-F574 WeakPolarHBondContact O-CZ 3.46Å
453	G	92.3	Very high	95.6	Very high	55 Å²	55	49 Å²	49	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-12.3	-178	0	0	0	0	0	114.6	S451	S451-G453 PolarHBondContact O-N 3.38Å
454	L	94.4	Very high	95.6	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	26%	0.258	C	S	.	.			trans	-76.1	140.4	170.1	-59.6	-178.6	0	0	0	110.9	S451 T458 L459 L462 F574 L577	S451-L454 WeakPolarHBondContact O-CB 3.44Å; S451-L454 WeakPolarHBondContact O-CG 3.39Å; S451-L454 PolarHBondContact O-N 3.42Å; L454-T458 HydrophobicContact CD1-CG2 4.49Å; L454-T458 HydrophobicContact CD2-CG2 4.26Å; L454-L459 HydrophobicContact CB-CD2 3.84Å; L454-L459 HydrophobicContact CB-CG 4Å; L454-L459 HydrophobicContact CD1-CD2 4.07Å; L454-L462 HydrophobicContact CD1-CD1 4.08Å; L454-F574 HydrophobicContact CD1-CE2 4.31Å; L454-F574 HydrophobicContact CD1-CZ 4.4Å; L454-F574 HydrophobicContact CD2-CE1 4.23Å; L454-F574 HydrophobicContact CD2-CZ 4.11Å; L454-F574 HydrophobicContact CG-CE2 4.34Å; L454-F574 HydrophobicContact CG-CZ 3.95Å; L454-L577 HydrophobicContact CD2-CD1 4.05Å
455	N	94	Very high	95.5	Very high	43 Å²	43	55.4 Å²	55.4	23%	0.23	27%	0.271	C	S	.	.			trans	-81.7	160.8	175.7	66.8	53.7	0	0	0	112.1	P250 R457 T458 L459	P250-N455 PolarHBondContact O-ND2 2.86Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 PolarHBondContact O-N 3.38Å; N455-R457 WeakPolarHBondContact OD1-CB 3.06Å; N455-R457 PolarHBondContact OD1-N 3.45Å; N455-T458 PolarHBondContact O-N 3.2Å; N455-T458 PolarHBondContact OD1-N 2.94Å; N455-T458 PolarHBondContact OD1-OG1 3.44Å; N455-L459 WeakPolarHBondContact O-CG 3.42Å; N455-L459 PolarHBondContact O-N 2.81Å
456	G	93.5	Very high	95.4	Very high	18 Å²	18	54 Å²	54	19%	0.186	27%	0.266	C	S	.	.	H	α-helix	trans	-55.2	-37.9	-177.9	0	0	0	0	0	114	G251 L459 R460	G251-G456 PolarHBondContact O-N 3.31Å; G456-L459 PolarHBondContact O-N 3.04Å; G456-R460 PolarHBondContact O-N 2.97Å
457	R	95	Very high	95.2	Very high	157 Å²	157	49.4 Å²	49.4	59%	0.592	25%	0.249	S	C	*	.	H	α-helix	trans	-62.8	-44.8	175.8	-176.8	-174	-69.3	177.5	-1.8	111.7	G251 N455 K461	G251-R457 PolarHBondContact O-N 3.38Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 PolarHBondContact O-N 3.38Å; N455-R457 WeakPolarHBondContact OD1-CB 3.06Å; N455-R457 PolarHBondContact OD1-N 3.45Å; R457-K461 VanDerWaalsContact O-CG 3.28Å; R457-K461 WeakPolarHBondContact O-CG 3.42Å; R457-K461 PolarHBondContact O-N 2.74Å
458	T	95.6	Very high	94.9	Very high	34 Å²	34	51.4 Å²	51.4	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-46	176.3	-60.1	0	0	0	0	110.5	L454 N455 R460 K461 L462	L454-T458 HydrophobicContact CD1-CG2 4.49Å; L454-T458 HydrophobicContact CD2-CG2 4.26Å; N455-T458 PolarHBondContact O-N 3.2Å; N455-T458 PolarHBondContact OD1-N 2.94Å; N455-T458 PolarHBondContact OD1-OG1 3.44Å; T458-R460 PolarHBondContact O-N 3.1Å; T458-K461 WeakPolarHBondContact O-CB 3.44Å; T458-K461 PolarHBondContact O-N 3.04Å; T458-L462 WeakPolarHBondContact O-CG 3.44Å; T458-L462 PolarHBondContact O-N 3.16Å; T458-L462 VanDerWaalsContact O-N 3.16Å
459	L	96.8	Very high	94.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-45.2	-179.6	-68.9	167.8	0	0	0	112.8	P391 I396 I399 Y400 L454 N455 G456 K461 L462 P463	P391-L459 HydrophobicContact CG-CD1 3.45Å; P391-L459 VanDerWaalsContact CG-CD1 3.45Å; I396-L459 HydrophobicContact CB-CD1 4.46Å; I396-L459 HydrophobicContact CD1-CD1 4.47Å; I396-L459 HydrophobicContact CG1-CD1 3.74Å; I396-L459 HydrophobicContact CG2-CD1 4.34Å; I396-L459 HydrophobicContact CG2-CD2 3.87Å; I399-L459 HydrophobicContact CD1-CD1 4.02Å; I399-L459 HydrophobicContact CG2-CB 4.12Å; Y400-L459 HydrophobicContact CE1-CD2 4.1Å; Y400-L459 WeakPolarHBondContact OH-CD2 3.5Å; L454-L459 HydrophobicContact CB-CD2 3.84Å; L454-L459 HydrophobicContact CB-CG 4Å; L454-L459 HydrophobicContact CD1-CD2 4.07Å; N455-L459 WeakPolarHBondContact O-CG 3.42Å; N455-L459 PolarHBondContact O-N 2.81Å; G456-L459 PolarHBondContact O-N 3.04Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.39Å; L459-L462 HydrophobicContact CD2-CD1 4.16Å; L459-L462 PolarHBondContact O-N 2.93Å; L459-P463 WeakPolarHBondContact O-CD 3.41Å
460	R	96.5	Very high	94	Very high	96 Å²	96	58.4 Å²	58.4	36%	0.362	29%	0.294	S	S	.	.	H	α-helix	trans	-71.6	-16.4	177.4	-71.1	-171.4	171.7	-73.2	-7.8	114	S207 I399 G456 T458	S207-R460 PolarHBondContact O-NH2 3.3Å; I399-R460 HydrophobicContact CG2-CG 3.97Å; G456-R460 PolarHBondContact O-N 2.97Å; T458-R460 PolarHBondContact O-N 3.1Å
461	K	96.1	Very high	93.4	Very high	120 Å²	120	55 Å²	55	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-83.4	-29	173.6	-75.4	174.7	176.5	-169.8	0	113.2	R457 T458 L459 P463 L464 L465	R457-K461 VanDerWaalsContact O-CG 3.28Å; R457-K461 WeakPolarHBondContact O-CG 3.42Å; R457-K461 PolarHBondContact O-N 2.74Å; T458-K461 WeakPolarHBondContact O-CB 3.44Å; T458-K461 PolarHBondContact O-N 3.04Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.39Å; K461-P463 VanDerWaalsContact C-CD 3.45Å; K461-L464 PolarHBondContact O-N 3.35Å; K461-L465 PolarHBondContact O-N 3.37Å
462	L	96.8	Very high	92.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-41.5	-175.5	-71.4	171.2	0	0	0	114.4	Y400 L454 T458 L459 L464 L465 A466 L566 T569 V570 Q573	Y400-L462 HydrophobicContact CE1-CD1 3.89Å; Y400-L462 WeakPolarHBondContact OH-CD1 3.48Å; L454-L462 HydrophobicContact CD1-CD1 4.08Å; T458-L462 WeakPolarHBondContact O-CG 3.44Å; T458-L462 PolarHBondContact O-N 3.16Å; T458-L462 VanDerWaalsContact O-N 3.16Å; L459-L462 HydrophobicContact CD2-CD1 4.16Å; L459-L462 PolarHBondContact O-N 2.93Å; L462-L464 VanDerWaalsContact C-N 3.29Å; L462-L464 PolarHBondContact O-N 3Å; L462-L465 PolarHBondContact O-N 3.33Å; L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 3.3Å; L462-L566 HydrophobicContact CB-CD1 3.71Å; L462-T569 HydrophobicContact CD2-CG2 3.71Å; L462-V570 HydrophobicContact CD1-CG2 3.67Å; L462-V570 HydrophobicContact CD2-CG2 4.36Å; L462-Q573 HydrophobicContact CD2-CG 3.71Å
463	P	95.8	Very high	90.3	Very high	12 Å²	12	63.5 Å²	63.5	8%	0.078	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-39.2	179.3	-25.6	34.7	0	0	0	113.3	C403 L407 L459 K461 A466 Y467 F562	C403-P463 HydrophobicContact CB-CG 3.76Å; L407-P463 HydrophobicContact CD1-CB 4.09Å; L459-P463 WeakPolarHBondContact O-CD 3.41Å; K461-P463 VanDerWaalsContact C-CD 3.45Å; P463-A466 PolarHBondContact O-N 3.31Å; P463-Y467 WeakPolarHBondContact O-CB 3.39Å; P463-Y467 PolarHBondContact O-N 3.49Å; P463-F562 HydrophobicContact CB-CE1 4.39Å; P463-F562 HydrophobicContact CB-CZ 3.95Å
464	L	95.2	Very high	88	Confident	129 Å²	129	63.2 Å²	63.2	68%	0.675	30%	0.303	S	S	*	.	H	α-helix	trans	-65.8	-46.1	176.9	177.5	63.5	0	0	0	111.2	K461 L462 A466 Y467 A468	K461-L464 PolarHBondContact O-N 3.35Å; L462-L464 VanDerWaalsContact C-N 3.29Å; L462-L464 PolarHBondContact O-N 3Å; L464-A466 VanDerWaalsContact C-N 3.33Å; L464-A466 PolarHBondContact O-N 2.99Å; L464-Y467 PolarHBondContact O-N 3.49Å; L464-A468 VanDerWaalsContact O-CB 3.31Å; L464-A468 WeakPolarHBondContact O-CB 3.42Å; L464-A468 PolarHBondContact O-N 3.17Å
465	L	94.2	Very high	85.1	Confident	52 Å²	52	70.2 Å²	70.2	27%	0.272	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-41.5	178.6	-59.6	175.8	0	0	0	111.1	K461 L462 Y467 A468 F469 T569	K461-L465 PolarHBondContact O-N 3.37Å; L462-L465 PolarHBondContact O-N 3.33Å; L465-Y467 PolarHBondContact O-N 2.9Å; L465-A468 PolarHBondContact O-N 3.24Å; L465-F469 HydrophobicContact CB-CD2 4.22Å; L465-F469 HydrophobicContact CB-CE2 4.4Å; L465-F469 HydrophobicContact CD2-CE2 3.86Å; L465-F469 WeakPolarHBondContact O-CB 3.43Å; L465-F469 VanDerWaalsContact O-CD2 3.25Å; L465-F469 WeakPolarHBondContact O-CD2 3.28Å; L465-F469 PolarHBondContact O-N 2.9Å; L465-T569 HydrophobicContact CB-CG2 3.64Å; L465-T569 HydrophobicContact CD1-CG2 4.44Å
466	A	93.8	Very high	82	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-46.9	176.5	0	0	0	0	0	111.7	L462 P463 L464 Y470 F562 A565 L566 T569	L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 3.3Å; P463-A466 PolarHBondContact O-N 3.31Å; L464-A466 VanDerWaalsContact C-N 3.33Å; L464-A466 PolarHBondContact O-N 2.99Å; A466-Y470 WeakPolarHBondContact O-CB 3.46Å; A466-Y470 PolarHBondContact O-N 3.29Å; A466-Y470 VanDerWaalsContact O-N 3.17Å; A466-F562 HydrophobicContact CB-CZ 4.3Å; A466-A565 HydrophobicContact CB-CB 4.31Å; A466-L566 HydrophobicContact CB-CB 4.38Å; A466-L566 HydrophobicContact CB-CD1 3.99Å; A466-T569 WeakPolarHBondContact CA-OG1 3.48Å; A466-T569 WeakPolarHBondContact CB-OG1 3.36Å
467	Y	90.8	Very high	78.7	Confident	34 Å²	34	79.5 Å²	79.5	13%	0.133	39%	0.39	C	S	.	.	I	π-helix	trans	-64.6	-47.8	178	-163.6	-87.8	0	0	0	111.9	L412 P463 L464 L465 L471 N472 V557 F562	L412-Y467 HydrophobicContact CB-CE2 4.44Å; L412-Y467 HydrophobicContact CD2-CE2 4.14Å; P463-Y467 WeakPolarHBondContact O-CB 3.39Å; P463-Y467 PolarHBondContact O-N 3.49Å; L464-Y467 PolarHBondContact O-N 3.49Å; L465-Y467 PolarHBondContact O-N 2.9Å; Y467-L471 HydrophobicContact CD2-CB 4.32Å; Y467-L471 HydrophobicContact CD2-CD1 4Å; Y467-L471 PolarHBondContact O-N 3.48Å; Y467-N472 PolarHBondContact O-N 3.28Å; Y467-V557 HydrophobicContact CE2-CG2 4.27Å; Y467-F562 HydrophobicContact CD2-CD2 4.39Å; Y467-F562 HydrophobicContact CD2-CE2 4Å
468	A	90.4	Very high	75.5	Confident	50 Å²	50	80.7 Å²	80.7	41%	0.413	40%	0.404	S	S	.	.	I	π-helix	trans	-64.1	-45.4	-176.4	0	0	0	0	0	113.1	L464 L465	L464-A468 VanDerWaalsContact O-CB 3.31Å; L464-A468 WeakPolarHBondContact O-CB 3.42Å; L464-A468 PolarHBondContact O-N 3.17Å; L465-A468 PolarHBondContact O-N 3.24Å
469	F	88	Confident	72.1	Confident	154 Å²	154	90.3 Å²	90.3	68%	0.675	44%	0.437	S	S	*	.	I	π-helix	trans	-91.9	-23.2	-170.9	-67.1	-59.5	0	0	0	114.8	L465	L465-F469 HydrophobicContact CB-CD2 4.22Å; L465-F469 HydrophobicContact CB-CE2 4.4Å; L465-F469 HydrophobicContact CD2-CE2 3.86Å; L465-F469 WeakPolarHBondContact O-CB 3.43Å; L465-F469 VanDerWaalsContact O-CD2 3.25Å; L465-F469 WeakPolarHBondContact O-CD2 3.28Å; L465-F469 PolarHBondContact O-N 2.9Å
470	Y	87.4	Confident	68.7	Low	88 Å²	88	101.1 Å²	101.1	35%	0.345	48%	0.479	S	S	.	.	I	π-helix	trans	-121.6	-21.4	-171.8	-59.3	-84.3	0	0	0	114.4	A466 A565 L568 T569	A466-Y470 WeakPolarHBondContact O-CB 3.46Å; A466-Y470 PolarHBondContact O-N 3.29Å; A466-Y470 VanDerWaalsContact O-N 3.17Å; Y470-A565 HydrophobicContact CG-CB 4.4Å; Y470-L568 HydrophobicContact CD1-CB 4.13Å; Y470-L568 HydrophobicContact CD1-CD1 3.72Å; Y470-L568 HydrophobicContact CE1-CB 3.66Å; Y470-L568 HydrophobicContact CE1-CD1 3.83Å; Y470-L568 HydrophobicContact CE1-CG 4.37Å; Y470-L568 HydrophobicContact CE2-CB 4.27Å; Y470-L568 PolarHBondContact OH-O 3.16Å; Y470-T569 WeakPolarHBondContact CD2-OG1 3.42Å; Y470-T569 VanDerWaalsContact CE2-OG1 3.23Å; Y470-T569 WeakPolarHBondContact CE2-OG1 3.44Å
471	L	84	Confident	65.3	Low	24 Å²	24	103 Å²	103	13%	0.126	50%	0.496	C	S	.	.	I	π-helix	trans	-113.5	-30.6	-173.7	-61.5	173.4	0	0	0	113.4	Y467 K473 V557 M561 F562 A565	Y467-L471 HydrophobicContact CD2-CB 4.32Å; Y467-L471 HydrophobicContact CD2-CD1 4Å; Y467-L471 PolarHBondContact O-N 3.48Å; L471-K473 PolarHBondContact O-N 3.4Å; L471-V557 HydrophobicContact CB-CG2 4.28Å; L471-V557 HydrophobicContact CD1-CG1 3.73Å; L471-V557 HydrophobicContact CD2-CG1 4.22Å; L471-V557 HydrophobicContact CG-CG1 4.49Å; L471-M561 HydrophobicContact CD2-CB 4.27Å; L471-F562 HydrophobicContact CD1-CB 4.27Å; L471-F562 HydrophobicContact CD1-CD2 3.27Å; L471-F562 HydrophobicContact CD1-CE2 3.83Å; L471-F562 HydrophobicContact CD1-CG 4.05Å; L471-A565 HydrophobicContact CD1-CB 4.02Å; L471-A565 HydrophobicContact CD2-CB 4.01Å; L471-A565 HydrophobicContact CG-CB 3.83Å
472	N	72.9	Confident	61.8	Low	76 Å²	76	102.8 Å²	102.8	41%	0.406	51%	0.51	S	S	.	.			trans	-76.3	74.5	176.4	-160.5	10.2	0	0	0	111	Y467 V474	Y467-N472 PolarHBondContact O-N 3.28Å; N472-V474 PolarHBondContact O-N 3.09Å
473	K	53.9	Low	58.5	Low	185 Å²	185	108.6 Å²	108.6	80%	0.804	55%	0.545	S	S	*	.			trans	-80.3	55.6	173	-78	-170.9	176.8	179.6	0	111.6	L471	L471-K473 PolarHBondContact O-N 3.4Å
474	V	42.3	Very low	55.3	Low	50 Å²	50	115.5 Å²	115.5	30%	0.303	58%	0.581	S	S	.	*			trans	-146.3	90.5	159.4	-166.6	0	0	0	0	111.9	N472 P476 Y551	N472-V474 PolarHBondContact O-N 3.09Å; V474-P476 HydrophobicContact CG1-CG 4.04Å; V474-Y551 WeakPolarHBondContact CB-OH 3.45Å; V474-Y551 WeakPolarHBondContact CG1-OH 3.49Å; V474-Y551 WeakPolarHBondContact CG2-OH 3.45Å
475	I	33.3	Very low	52.1	Low	153 Å²	153	118.4 Å²	118.4	79%	0.785	59%	0.591	S	S	*	*			trans	-130.1	104.7	134.2	-58.1	176.2	0	0	0	104.7
476	P	28.9	Very low	48.8	Very low	100 Å²	100	121.3 Å²	121.3	65%	0.649	62%	0.615	S	S	*	*			trans	-74.4	138.1	167.9	-1.6	20.9	0	0	0	108.2	V474	V474-P476 HydrophobicContact CG1-CG 4.04Å
477	D	25.7	Very low	45.5	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	66%	0.658	S	S	*	*			trans	71.4	69	174.9	-63.8	-22.1	0	0	0	118.3
478	M	27.2	Very low	42.4	Very low	183 Å²	183	141.8 Å²	141.8	90%	0.901	69%	0.692	S	S	*	*				-115.5	116	129.2	-90.5	-158.1	-168.8	0	0	108.8	Y480	M478-Y480 PolarHBondContact O-N 3.44Å
479	R	25	Very low	39.3	Very low	235 Å²	235	147 Å²	147	89%	0.887	71%	0.712	S	S	*	*			trans	-41.5	128	172.8	-71.4	177.4	176.9	164.2	-0.9	110.1	N481	R479-N481 PolarHBondContact O-N 3.29Å
480	Y	24.1	Very low	36.2	Very low	227 Å²	227	147 Å²	147	89%	0.89	71%	0.714	S	S	*	*			trans	-38.4	105.7	157.3	-102.7	-101.5	0	0	0	109.5	M478	M478-Y480 PolarHBondContact O-N 3.44Å
481	N	25	Very low	33.1	Very low	136 Å²	136	149.4 Å²	149.4	73%	0.727	73%	0.731	S	S	*	*			trans	-131.4	109.4	153.3	-92.8	-17.9	0	0	0	106.3	R479 T483	R479-N481 PolarHBondContact O-N 3.29Å; N481-T483 PolarHBondContact O-N 3.02Å
482	S	24.4	Very low	30.4	Very low	115 Å²	115	154 Å²	154	80%	0.804	76%	0.762	S	S	*	*			trans	-64	73.7	176.6	48.2	0	0	0	0	111.2
483	T	26.5	Very low	28.1	Very low	122 Å²	122	157.7 Å²	157.7	75%	0.748	78%	0.782	S	S	*	*			trans	-161.6	61.4	170.4	42.6	0	0	0	0	111.9	N481	N481-T483 PolarHBondContact O-N 3.02Å
484	L	28.7	Very low	26.6	Very low	158 Å²	158	154.4 Å²	154.4	83%	0.827	78%	0.781	S	S	*	*			trans	-123.5	49.8	164.2	-85.5	169	0	0	0	111.5
485	H	27.6	Very low	25.7	Very low	190 Å²	190	159.2 Å²	159.2	88%	0.88	81%	0.805	S	S	*	*	S	Bend	trans	-127.4	62.6	162.1	-106.3	33.2	0	0	0	108.5
486	S	25.4	Very low	25.5	Very low	112 Å²	112	160.8 Å²	160.8	78%	0.783	81%	0.806	S	S	*	*			trans	159.5	91.8	158.7	56.7	0	0	0	0	110.1
487	R	24.5	Very low	25.2	Very low	240 Å²	240	160.5 Å²	160.5	91%	0.906	81%	0.807	S	S	*	*			trans	-140.2	103.1	151	-100.9	-174.3	-178.5	178.5	-0.2	109.4
488	R	24.7	Very low	25.1	Very low	225 Å²	225	160.6 Å²	160.6	85%	0.849	81%	0.807	S	S	*	*			trans	-49.6	133.5	159.1	-73.6	176.4	-178	162.7	1.7	108.5	H490	R488-H490 VanDerWaalsContact C-N 3.31Å; R488-H490 PolarHBondContact O-N 3.24Å
489	I	25.5	Very low	25.1	Very low	160 Å²	160	157 Å²	157	82%	0.821	80%	0.801	S	S	*	*			trans	-67.2	98.2	158.2	-62.3	171.9	0	0	0	105.6	L491	I489-L491 PolarHBondContact O-N 3.02Å
490	H	23.7	Very low	24.9	Very low	154 Å²	154	150.7 Å²	150.7	71%	0.713	79%	0.792	S	S	*	*			trans	-74.8	110.9	161.2	-106.6	-67.7	0	0	0	106.7	R488	R488-H490 VanDerWaalsContact C-N 3.31Å; R488-H490 PolarHBondContact O-N 3.24Å
491	L	22.2	Very low	25	Very low	138 Å²	138	146.6 Å²	146.6	72%	0.723	78%	0.784	S	S	*	*			trans	-60.4	131.9	152.7	-75.9	110	0	0	0	107.2	I489 D493	I489-L491 PolarHBondContact O-N 3.02Å; L491-D493 PolarHBondContact O-N 3.15Å
492	P	27.7	Very low	25	Very low	119 Å²	119	146.9 Å²	146.9	77%	0.773	79%	0.785	S	S	*	*			trans	-77.1	113.6	174.6	28.9	-27.8	0	0	0	108.8	C494	P492-C494 PolarHBondContact O-N 3.31Å
493	D	23.9	Very low	24.9	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	79%	0.785	S	S	*	*			trans	-60	124.1	161.5	-75.4	-43.8	0	0	0	109.2	L491 N495	L491-D493 PolarHBondContact O-N 3.15Å; D493-N495 PolarHBondContact O-N 3.1Å
494	C	22.4	Very low	24.8	Very low	116 Å²	116	152 Å²	152	78%	0.784	79%	0.793	S	S	*	*			trans	-64.4	114.6	163.8	-68.1	0	0	0	0	109	P492	P492-C494 PolarHBondContact O-N 3.31Å
495	N	23.7	Very low	24.4	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	79%	0.788	S	S	*	*			trans	178	136.8	133.5	-94.4	-37.5	0	0	0	114.3	D493	D493-N495 PolarHBondContact O-N 3.1Å
496	K	28.7	Very low	24.2	Very low	186 Å²	186	145.9 Å²	145.9	81%	0.809	78%	0.784	S	S	*	*			trans	85.7	93.6	153.7	-67.8	175.5	-177.7	-179.1	0	120.8
497	S	23.4	Very low	24.3	Very low	95 Å²	95	145.6 Å²	145.6	66%	0.664	78%	0.782	S	S	*	*				49.2	121.3	115.3	63.3	0	0	0	0	122.5
498	N	23.7	Very low	24.2	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	77%	0.774	S	S	*	*			trans	118.2	132	131	-72.2	-11.2	0	0	0	120.9
499	S	26.3	Very low	24.2	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	78%	0.778	S	S	*	*			trans	79.3	96.1	150.7	61.6	0	0	0	0	122.9
500	S	21.1	Very low	24.1	Very low	101 Å²	101	141 Å²	141	71%	0.706	77%	0.77	S	S	*	*				15.4	140.1	121.4	62.9	0	0	0	0	122.7
501	I	26.6	Very low	24.2	Very low	142 Å²	142	140.8 Å²	140.8	73%	0.728	78%	0.78	S	S	*	*				154.6	123.2	121.4	-81.1	166.7	0	0	0	114.8
502	L	25	Very low	24.1	Very low	142 Å²	142	138.8 Å²	138.8	74%	0.743	78%	0.777	S	S	*	*			trans	58.4	118.9	143.7	-60.4	173.4	0	0	0	121.9
503	N	21.7	Very low	24.1	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	78%	0.779	S	S	*	*				74.4	118.1	82.8	-88.7	2.1	0	0	0	115.9
504	E	24.5	Very low	24.2	Very low	197 Å²	197	137.2 Å²	137.2	92%	0.921	78%	0.775	S	S	*	*				171.1	159.2	119.3	-95.7	-179	-177.2	0	0	113.5
505	S	21.3	Very low	24.3	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	78%	0.776	S	S	*	*			trans	-134.6	165.1	-152	46	0	0	0	0	114.3
506	S	23.2	Very low	24.3	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	78%	0.778	S	S	*	*			trans	93.1	139.2	159.5	79.8	0	0	0	0	117.7
507	S	26.1	Very low	23.9	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	78%	0.775	S	S	*	*			cis	-163.9	140.3	34.8	46.2	0	0	0	0	116
508	F	23.5	Very low	24	Very low	170 Å²	170	139.3 Å²	139.3	75%	0.746	79%	0.785	S	S	*	*			trans	18.7	135.5	144.5	-70.6	-90.9	0	0	0	125.3
509	Y	24.2	Very low	23.9	Very low	238 Å²	238	139.4 Å²	139.4	93%	0.933	79%	0.786	S	S	*	*				-155.1	141.9	109.9	-104.2	-78.7	0	0	0	111.9
510	N	23	Very low	23.9	Very low	121 Å²	121	143.8 Å²	143.8	65%	0.647	79%	0.794	S	S	*	*			trans	-81.8	152	-170.4	-71.4	-37.8	0	0	0	115.5
511	V	25.5	Very low	23.9	Very low	150 Å²	150	144.3 Å²	144.3	91%	0.909	80%	0.798	S	S	*	*				-147.1	131.5	121.2	178.2	0	0	0	0	108.5
512	S	21.6	Very low	23.9	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	81%	0.806	S	S	*	*			trans	-112.3	150.8	-174	41	0	0	0	0	112.2
513	T	26.5	Very low	23.8	Very low	135 Å²	135	147.3 Å²	147.3	83%	0.828	81%	0.809	S	S	*	*			trans	168.5	134.3	144.2	30.4	0	0	0	0	106.5
514	S	25.5	Very low	23.7	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	81%	0.807	S	S	*	*			cis	-155.3	144.8	-18.4	-63.1	0	0	0	0	107.4
515	T	25	Very low	23.5	Very low	129 Å²	129	141 Å²	141	79%	0.791	80%	0.796	S	S	*	*			trans	-43.1	144.3	172.1	-9.6	0	0	0	0	117.5
516	M	23.2	Very low	23.4	Very low	172 Å²	172	142 Å²	142	85%	0.847	80%	0.799	S	S	*	*				-151.7	103.8	110.5	-94.9	-165.6	91.8	0	0	109.7
517	C	21.5	Very low	23.5	Very low	112 Å²	112	144.8 Å²	144.8	76%	0.757	80%	0.803	S	S	*	*			trans	-104.2	139.5	153.3	-73.9	0	0	0	0	107
518	M	24.1	Very low	23.1	Very low	178 Å²	178	144 Å²	144	88%	0.877	80%	0.797	S	S	*	*			trans	-119	114.6	146.9	-77.8	-153.6	170.6	0	0	107.5
519	N	22.6	Very low	23	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	80%	0.797	S	S	*	*			trans	-101.5	133.2	158.2	-95.2	-8.3	0	0	0	106.2
520	E	26	Very low	22.9	Very low	201 Å²	201	137.1 Å²	137.1	94%	0.939	79%	0.794	S	S	*	*			trans	-126.7	129.2	147.1	-89.3	-171.2	164	0	0	108.9
521	S	21.5	Very low	22.8	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	80%	0.797	S	S	*	*			trans	-98.2	134.6	178.8	46.4	0	0	0	0	110
522	I	26.3	Very low	22.7	Very low	172 Å²	172	134.4 Å²	134.4	88%	0.882	80%	0.796	S	S	*	*			trans	-129.6	140.6	160.1	-61.9	-179.3	0	0	0	109.7
523	H	22.5	Very low	22.7	Very low	175 Å²	175	134.2 Å²	134.2	81%	0.81	80%	0.8	S	S	*	*			trans	-57	156	-169.3	-95.1	-72.4	0	0	0	119.5
524	C	19.3	Very low	22.5	Very low	111 Å²	111	132.3 Å²	132.3	75%	0.75	80%	0.798	S	S	*	*			trans	4.7	149.1	138.1	-65.9	0	0	0	0	118.9
525	S	20.2	Very low	22.4	Very low	100 Å²	100	133 Å²	133	70%	0.699	80%	0.798	S	S	*	*			cis	-177.9	150.7	18	35.8	0	0	0	0	109.9
526	T	20.3	Very low	22.3	Very low	128 Å²	128	133 Å²	133	79%	0.785	80%	0.797	S	S	*	*			trans	42.2	118.4	152.6	48.4	0	0	0	0	121
527	I	24.4	Very low	22.3	Very low	172 Å²	172	129.1 Å²	129.1	88%	0.882	79%	0.785	S	S	*	*			trans	-165.3	151.2	131.3	-92.3	148.1	0	0	0	109.7
528	S	18.8	Very low	22.3	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	79%	0.786	S	S	*	*			trans	-69.3	158	-169.2	52.1	0	0	0	0	118.4
529	T	20.7	Very low	22.3	Very low	120 Å²	120	127.2 Å²	127.2	74%	0.736	77%	0.768	S	S	*	*			trans	49	109.7	142.8	55.3	0	0	0	0	119.3
530	T	21.6	Very low	22.3	Very low	144 Å²	144	126.6 Å²	126.6	88%	0.883	76%	0.761	S	S	*	*				155.9	141.6	123.7	41.2	0	0	0	0	109.8
531	G	21.9	Very low	22.5	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	76%	0.756	S	S	*	*			trans	52	106.4	149.5	0	0	0	0	0	118.7
532	T	23.5	Very low	22.8	Very low	145 Å²	145	124 Å²	124	89%	0.89	75%	0.751	S	S	*	*				178.1	128.3	117.7	26.2	0	0	0	0	108.7	A534	T532-A534 PolarHBondContact O-N 2.97Å
533	A	21.9	Very low	22.9	Very low	91 Å²	91	119.8 Å²	119.8	75%	0.752	74%	0.737	S	S	*	*			trans	-51.6	126.5	164.5	0	0	0	0	0	108	V535	A533-V535 VanDerWaalsContact C-N 3.26Å; A533-V535 PolarHBondContact O-N 3.34Å
534	A	22.4	Very low	23.2	Very low	96 Å²	96	117 Å²	117	79%	0.793	73%	0.727	S	S	*	*			trans	-66.7	94.8	171.4	0	0	0	0	0	107.4	T532 V536	T532-A534 PolarHBondContact O-N 2.97Å; A534-V536 PolarHBondContact O-N 3.06Å
535	V	23.3	Very low	23.8	Very low	119 Å²	119	115.4 Å²	115.4	72%	0.721	72%	0.717	S	S	*	*			trans	-51	105.7	162.7	175.6	0	0	0	0	106.6	A533 P537	A533-V535 VanDerWaalsContact C-N 3.26Å; A533-V535 PolarHBondContact O-N 3.34Å; V535-P537 WeakPolarHBondContact O-CD 3.44Å
536	V	22	Very low	25	Very low	130 Å²	130	114.5 Å²	114.5	79%	0.788	71%	0.711	S	S	*	*			trans	-76.8	110.4	159.4	178.7	0	0	0	0	103.9	A534 E538	A534-V536 PolarHBondContact O-N 3.06Å; V536-E538 PolarHBondContact O-N 3.45Å
537	P	23.5	Very low	25.8	Very low	91 Å²	91	112.4 Å²	112.4	59%	0.591	70%	0.7	S	S	*	*			trans	-64.4	130.8	178	26.5	-29.8	0	0	0	107.8	V535 V539	V535-P537 WeakPolarHBondContact O-CD 3.44Å; P537-V539 VanDerWaalsContact C-N 3.29Å; P537-V539 PolarHBondContact O-N 3.25Å
538	E	22	Very low	26.4	Very low	165 Å²	165	109.5 Å²	109.5	77%	0.771	69%	0.685	S	S	*	*			trans	-51.6	99.1	162.3	-82.7	-176.8	141.9	0	0	107.8	V536 E540	V536-E538 PolarHBondContact O-N 3.45Å; E538-E540 PolarHBondContact O-N 3.31Å; E538-E540 VanDerWaalsContact O-N 3.08Å
539	V	24.1	Very low	27.3	Very low	84 Å²	84	110.3 Å²	110.3	51%	0.509	68%	0.681	S	S	.	*			trans	-73.1	101.7	167.5	176	0	0	0	0	105.2	P537 L541 L544	P537-V539 VanDerWaalsContact C-N 3.29Å; P537-V539 PolarHBondContact O-N 3.25Å; V539-L541 PolarHBondContact O-N 3.36Å; V539-L544 HydrophobicContact CG1-CD1 4.27Å
540	E	22.8	Very low	28.2	Very low	146 Å²	146	109.3 Å²	109.3	68%	0.682	67%	0.672	S	S	*	*			trans	-45.8	116.3	157.7	-72.6	-171.7	160.2	0	0	107.6	E538 S542 S543	E538-E540 PolarHBondContact O-N 3.31Å; E538-E540 VanDerWaalsContact O-N 3.08Å; E540-S542 WeakPolarHBondContact CB-OG 3.39Å; E540-S542 PolarHBondContact O-N 3.18Å; E540-S542 PolarHBondContact OE2-OG 3.48Å; E540-S543 PolarHBondContact O-N 2.94Å; E540-S543 PolarHBondContact O-OG 3.33Å
541	L	29.4	Very low	29	Very low	162 Å²	162	107.6 Å²	107.6	85%	0.848	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	1.9	179.8	-95.4	114.5	0	0	0	114	V539	V539-L541 PolarHBondContact O-N 3.36Å
542	S	28.8	Very low	30	Very low	98 Å²	98	106.5 Å²	106.5	69%	0.685	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.8	171.9	58	0	0	0	0	113.9	E540	E540-S542 WeakPolarHBondContact CB-OG 3.39Å; E540-S542 PolarHBondContact O-N 3.18Å; E540-S542 PolarHBondContact OE2-OG 3.48Å
543	S	28.2	Very low	31.1	Very low	82 Å²	82	105.6 Å²	105.6	57%	0.573	61%	0.613	S	S	*	*			trans	-114	2.8	-169.7	65.4	0	0	0	0	116.3	E540 S545	E540-S543 PolarHBondContact O-N 2.94Å; E540-S543 PolarHBondContact O-OG 3.33Å; S543-S545 PolarHBondContact O-N 2.76Å; S543-S545 VanDerWaalsContact O-N 3.09Å
544	L	27.9	Very low	32.5	Very low	116 Å²	116	104.8 Å²	104.8	61%	0.607	60%	0.602	S	S	*	*	S	Bend	trans	-73.3	103.8	169.8	-91.9	139	0	0	0	109.9	V539 S546	V539-L544 HydrophobicContact CG1-CD1 4.27Å; L544-S546 PolarHBondContact O-N 2.83Å
545	S	32.7	Very low	34.3	Very low	79 Å²	79	102 Å²	102	55%	0.552	57%	0.574	S	S	*	*			trans	-42.7	136	178.4	64.5	0	0	0	0	113.2	S543 P547	S543-S545 PolarHBondContact O-N 2.76Å; S543-S545 VanDerWaalsContact O-N 3.09Å; S545-P547 WeakPolarHBondContact O-CD 3.42Å; S545-P547 VanDerWaalsContact O-N 3.13Å
546	S	45.5	Very low	36.7	Very low	81 Å²	81	102.3 Å²	102.3	57%	0.566	57%	0.571	S	S	*	*	H	α-helix	trans	-51	-18.6	-174.6	44.6	0	0	0	0	119.7	L544 N550	L544-S546 PolarHBondContact O-N 2.83Å; S546-N550 VanDerWaalsContact O-CB 3.29Å; S546-N550 WeakPolarHBondContact O-CB 3.23Å; S546-N550 VanDerWaalsContact O-CG 3.29Å; S546-N550 PolarHBondContact O-N 3.21Å; S546-N550 PolarHBondContact O-ND2 2.95Å
547	P	37.3	Very low	39.7	Very low	84 Å²	84	96.4 Å²	96.4	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-69.4	-41.7	-177.6	-21.4	32.9	0	0	0	114.2	S545 N550 Y551	S545-P547 WeakPolarHBondContact O-CD 3.42Å; S545-P547 VanDerWaalsContact O-N 3.13Å; P547-N550 PolarHBondContact O-N 3.28Å; P547-Y551 WeakPolarHBondContact O-CB 3.47Å; P547-Y551 PolarHBondContact O-N 3.46Å
548	I	37.2	Very low	42.8	Very low	111 Å²	111	94 Å²	94	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-71.9	-42	-175.8	-62.8	171.7	0	0	0	110.3	N550 Y551 V552	I548-N550 VanDerWaalsContact C-N 3.33Å; I548-N550 PolarHBondContact O-N 2.83Å; I548-Y551 PolarHBondContact O-N 3.31Å; I548-V552 HydrophobicContact CG2-CG2 4.41Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 VanDerWaalsContact O-CG2 3.3Å; I548-V552 WeakPolarHBondContact O-CG2 3.21Å; I548-V552 PolarHBondContact O-N 3.2Å
549	L	37.4	Very low	46	Very low	104 Å²	104	86.2 Å²	86.2	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-39	177.3	-158.8	77.1	0	0	0	111.5	K553	L549-K553 WeakPolarHBondContact O-CB 3.34Å; L549-K553 WeakPolarHBondContact O-CG 3.31Å; L549-K553 PolarHBondContact O-N 3.05Å; L549-K553 VanDerWaalsContact O-N 3.07Å
550	N	37.9	Very low	49.2	Very low	100 Å²	100	85 Å²	85	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-71.3	-33.7	175.1	-77	-16	0	0	0	112.7	S546 P547 I548 S554	S546-N550 VanDerWaalsContact O-CB 3.29Å; S546-N550 WeakPolarHBondContact O-CB 3.23Å; S546-N550 VanDerWaalsContact O-CG 3.29Å; S546-N550 PolarHBondContact O-N 3.21Å; S546-N550 PolarHBondContact O-ND2 2.95Å; P547-N550 PolarHBondContact O-N 3.28Å; I548-N550 VanDerWaalsContact C-N 3.33Å; I548-N550 PolarHBondContact O-N 2.83Å; N550-S554 PolarHBondContact O-N 3.02Å; N550-S554 VanDerWaalsContact O-N 3.1Å
551	Y	39.7	Very low	52.3	Low	107 Å²	107	83.1 Å²	83.1	42%	0.42	47%	0.469	S	S	.	.	H	α-helix	trans	-69.8	-41.5	176	-177.2	-98.3	0	0	0	112.3	V474 P547 I548 S554	V474-Y551 WeakPolarHBondContact CB-OH 3.45Å; V474-Y551 WeakPolarHBondContact CG1-OH 3.49Å; V474-Y551 WeakPolarHBondContact CG2-OH 3.45Å; P547-Y551 WeakPolarHBondContact O-CB 3.47Å; P547-Y551 PolarHBondContact O-N 3.46Å; I548-Y551 PolarHBondContact O-N 3.31Å; Y551-S554 WeakPolarHBondContact O-CB 3.5Å; Y551-S554 PolarHBondContact O-N 3.49Å; Y551-S554 VanDerWaalsContact O-N 3.1Å; Y551-S554 PolarHBondContact O-OG 3.34Å
552	V	42.8	Very low	55.4	Low	45 Å²	45	75.4 Å²	75.4	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-64	-42.4	173.9	170.1	0	0	0	0	111	L412 I548 S554 N555	L412-V552 HydrophobicContact CD2-CG1 3.22Å; L412-V552 HydrophobicContact CG-CG1 4.44Å; I548-V552 HydrophobicContact CG2-CG2 4.41Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 VanDerWaalsContact O-CG2 3.3Å; I548-V552 WeakPolarHBondContact O-CG2 3.21Å; I548-V552 PolarHBondContact O-N 3.2Å; V552-S554 PolarHBondContact O-N 3.22Å; V552-N555 PolarHBondContact O-N 3.02Å
553	K	47.3	Very low	58.4	Low	127 Å²	127	70.8 Å²	70.8	55%	0.552	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-19.9	172.5	-76.6	179.6	177.8	-177.5	0	114	L549 N555	L549-K553 WeakPolarHBondContact O-CB 3.34Å; L549-K553 WeakPolarHBondContact O-CG 3.31Å; L549-K553 PolarHBondContact O-N 3.05Å; L549-K553 VanDerWaalsContact O-N 3.07Å; K553-N555 VanDerWaalsContact C-N 3.35Å
554	S	49.9	Very low	61.4	Low	73 Å²	73	72.5 Å²	72.5	51%	0.51	39%	0.394	S	S	.	.	H	α-helix	trans	-76.1	-22.1	179.6	79.7	0	0	0	0	113.5	N550 Y551 V552 N556	N550-S554 PolarHBondContact O-N 3.02Å; N550-S554 VanDerWaalsContact O-N 3.1Å; Y551-S554 WeakPolarHBondContact O-CB 3.5Å; Y551-S554 PolarHBondContact O-N 3.49Å; Y551-S554 VanDerWaalsContact O-N 3.1Å; Y551-S554 PolarHBondContact O-OG 3.34Å; V552-S554 PolarHBondContact O-N 3.22Å; S554-N556 PolarHBondContact O-N 3.49Å
555	N	59.6	Low	64.5	Low	39 Å²	39	67.2 Å²	67.2	21%	0.209	37%	0.367	C	S	.	.	S	Bend	trans	-81.2	96.8	171	-80.4	-30.7	0	0	0	108.8	V552 K553 V557	V552-N555 PolarHBondContact O-N 3.02Å; K553-N555 VanDerWaalsContact C-N 3.35Å; N555-V557 HydrophobicContact CB-CG2 4.29Å; N555-V557 PolarHBondContact O-N 2.91Å
556	N	75.2	Confident	67.5	Low	124 Å²	124	63.5 Å²	63.5	66%	0.663	34%	0.341	S	S	*	.			trans	-66.7	66.5	173.8	-92.4	-25.5	0	0	0	111.7	N414 S554 S558	N414-N556 PolarHBondContact ND2-OD1 3.49Å; S554-N556 PolarHBondContact O-N 3.49Å; N556-S558 PolarHBondContact O-N 3.29Å
557	V	85.1	Confident	69.8	Low	7 Å²	7	64.7 Å²	64.7	4%	0.042	34%	0.336	C	S	.	.			trans	-76	111.1	173.8	178.1	0	0	0	0	108.2	N414 Y467 L471 N555 F562	N414-V557 PolarHBondContact N-O 3.25Å; Y467-V557 HydrophobicContact CE2-CG2 4.27Å; L471-V557 HydrophobicContact CB-CG2 4.28Å; L471-V557 HydrophobicContact CD1-CG1 3.73Å; L471-V557 HydrophobicContact CD2-CG1 4.22Å; L471-V557 HydrophobicContact CG-CG1 4.49Å; N555-V557 HydrophobicContact CB-CG2 4.29Å; N555-V557 PolarHBondContact O-N 2.91Å; V557-F562 HydrophobicContact CG1-CB 4.21Å; V557-F562 HydrophobicContact CG1-CD2 4.29Å
558	S	88.5	Confident	72.5	Confident	39 Å²	39	64.9 Å²	64.9	27%	0.273	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-79.6	155	170.4	63.7	0	0	0	0	111.4	N556 V560 M561 F562	N556-S558 PolarHBondContact O-N 3.29Å; S558-V560 PolarHBondContact O-N 2.96Å; S558-M561 WeakPolarHBondContact O-CB 3.48Å; S558-M561 PolarHBondContact O-N 3.3Å; S558-M561 VanDerWaalsContact OG-CG 3.31Å; S558-M561 WeakPolarHBondContact OG-CG 3.48Å; S558-M561 PolarHBondContact OG-N 2.74Å; S558-F562 PolarHBondContact O-N 3.23Å
559	L	89.6	Confident	75.2	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-53.8	-38.6	174.1	-176.3	59.9	0	0	0	112.2	L404 I408 I413 N414 S419 L421 L440 F562 I563	L404-L559 HydrophobicContact CB-CD1 4.45Å; L404-L559 HydrophobicContact CD1-CD1 4.26Å; L404-L559 HydrophobicContact CD2-CD1 4.09Å; I408-L559 HydrophobicContact CD1-CD1 4.43Å; I413-L559 HydrophobicContact CG2-CB 3.88Å; I413-L559 HydrophobicContact CG2-CD1 4.06Å; N414-L559 PolarHBondContact O-N 3.26Å; S419-L559 WeakPolarHBondContact O-CD2 3.4Å; L421-L559 HydrophobicContact CD1-CD2 4.38Å; L421-L559 HydrophobicContact CD2-CD2 4.14Å; L421-L559 HydrophobicContact CG-CD2 4.12Å; L440-L559 HydrophobicContact CD1-CD2 4.04Å; L440-L559 HydrophobicContact CD1-CG 4.42Å; L559-F562 PolarHBondContact O-N 3.07Å; L559-I563 HydrophobicContact CD1-CD1 4.37Å; L559-I563 HydrophobicContact CD1-CG1 4.44Å; L559-I563 HydrophobicContact CG-CD1 4.16Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.26Å
560	V	89.6	Confident	77.9	Confident	57 Å²	57	54.9 Å²	54.9	35%	0.345	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-45.3	176.5	-170	0	0	0	0	111.8	L440 S558 F562 K564	L440-V560 HydrophobicContact CD1-CG2 4.16Å; L440-V560 HydrophobicContact CD2-CB 4.36Å; L440-V560 HydrophobicContact CD2-CG1 4.37Å; L440-V560 HydrophobicContact CD2-CG2 3.74Å; S558-V560 PolarHBondContact O-N 2.96Å; V560-F562 VanDerWaalsContact C-N 3.28Å; V560-F562 PolarHBondContact O-N 2.89Å; V560-K564 WeakPolarHBondContact O-CG 3.44Å; V560-K564 PolarHBondContact O-N 3.48Å
561	M	89.6	Confident	80.5	Confident	107 Å²	107	52.8 Å²	52.8	53%	0.527	27%	0.269	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.9	-73.5	176.1	-175.8	0	0	111.1	L471 S558 K564 A565	L471-M561 HydrophobicContact CD2-CB 4.27Å; S558-M561 WeakPolarHBondContact O-CB 3.48Å; S558-M561 PolarHBondContact O-N 3.3Å; S558-M561 VanDerWaalsContact OG-CG 3.31Å; S558-M561 WeakPolarHBondContact OG-CG 3.48Å; S558-M561 PolarHBondContact OG-N 2.74Å; M561-K564 PolarHBondContact O-N 3.17Å; M561-A565 PolarHBondContact O-N 3.11Å
562	F	93	Very high	82.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-45.5	179.6	-164.6	-79	0	0	0	112.7	L404 L407 I413 P463 A466 Y467 L471 V557 S558 L559 V560 K564 A565 L566	L404-F562 HydrophobicContact CD2-CD1 3.33Å; L404-F562 HydrophobicContact CD2-CE1 3.57Å; L404-F562 HydrophobicContact CD2-CG 4.25Å; L407-F562 HydrophobicContact CD1-CD2 4.42Å; L407-F562 HydrophobicContact CD1-CE1 3.93Å; L407-F562 HydrophobicContact CD1-CE2 3.6Å; L407-F562 HydrophobicContact CD1-CZ 3.31Å; I413-F562 HydrophobicContact CD1-CB 3.82Å; I413-F562 HydrophobicContact CD1-CD1 3.86Å; I413-F562 HydrophobicContact CD1-CD2 3.54Å; I413-F562 HydrophobicContact CD1-CE1 4.34Å; I413-F562 HydrophobicContact CD1-CE2 4.07Å; I413-F562 HydrophobicContact CD1-CG 3.44Å; I413-F562 VanDerWaalsContact CD1-CG 3.44Å; I413-F562 HydrophobicContact CD1-CZ 4.44Å; I413-F562 HydrophobicContact CG1-CB 4.27Å; I413-F562 HydrophobicContact CG1-CD2 3.84Å; I413-F562 HydrophobicContact CG1-CE2 4.49Å; I413-F562 HydrophobicContact CG1-CG 4.11Å; P463-F562 HydrophobicContact CB-CE1 4.39Å; P463-F562 HydrophobicContact CB-CZ 3.95Å; A466-F562 HydrophobicContact CB-CZ 4.3Å; Y467-F562 HydrophobicContact CD2-CD2 4.39Å; Y467-F562 HydrophobicContact CD2-CE2 4Å; L471-F562 HydrophobicContact CD1-CB 4.27Å; L471-F562 HydrophobicContact CD1-CD2 3.27Å; L471-F562 HydrophobicContact CD1-CE2 3.83Å; L471-F562 HydrophobicContact CD1-CG 4.05Å; V557-F562 HydrophobicContact CG1-CB 4.21Å; V557-F562 HydrophobicContact CG1-CD2 4.29Å; S558-F562 PolarHBondContact O-N 3.23Å; L559-F562 PolarHBondContact O-N 3.07Å; V560-F562 VanDerWaalsContact C-N 3.28Å; V560-F562 PolarHBondContact O-N 2.89Å; F562-K564 PolarHBondContact O-N 3.09Å; F562-A565 WeakPolarHBondContact O-CB 3.31Å; F562-A565 PolarHBondContact O-N 3.26Å; F562-A565 VanDerWaalsContact O-N 3.13Å; F562-L566 HydrophobicContact CE1-CB 4.41Å; F562-L566 HydrophobicContact CE1-CD1 4.45Å; F562-L566 WeakPolarHBondContact O-CB 3.3Å; F562-L566 PolarHBondContact O-N 3.32Å
563	I	92.5	Very high	85.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-40	177.1	-68.1	172.2	0	0	0	110.6	L404 L440 E443 L559 L566 K567	L404-I563 HydrophobicContact CD1-CG1 4.38Å; L440-I563 HydrophobicContact CB-CD1 4.26Å; L440-I563 HydrophobicContact CD2-CD1 4.46Å; E443-I563 HydrophobicContact CB-CG2 4.41Å; E443-I563 HydrophobicContact CG-CG2 3.82Å; L559-I563 HydrophobicContact CD1-CD1 4.37Å; L559-I563 HydrophobicContact CD1-CG1 4.44Å; L559-I563 HydrophobicContact CG-CD1 4.16Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.26Å; I563-L566 PolarHBondContact O-N 3.46Å; I563-K567 PolarHBondContact O-N 3.34Å
564	K	92.2	Very high	87.2	Confident	119 Å²	119	45.5 Å²	45.5	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-43.7	174.6	-71	176	-179.1	178.8	0	112.9	V560 M561 F562 L566 K567 L568	V560-K564 WeakPolarHBondContact O-CG 3.44Å; V560-K564 PolarHBondContact O-N 3.48Å; M561-K564 PolarHBondContact O-N 3.17Å; F562-K564 PolarHBondContact O-N 3.09Å; K564-L566 VanDerWaalsContact C-N 3.33Å; K564-K567 WeakPolarHBondContact O-CB 3.29Å; K564-K567 PolarHBondContact O-N 2.96Å; K564-L568 WeakPolarHBondContact O-CG 3.1Å; K564-L568 PolarHBondContact O-N 3.48Å; K564-L568 VanDerWaalsContact O-N 3.14Å
565	A	92.9	Very high	88.9	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-41.5	174.8	0	0	0	0	0	111.8	A466 Y470 L471 M561 F562 K567 L568 T569	A466-A565 HydrophobicContact CB-CB 4.31Å; Y470-A565 HydrophobicContact CG-CB 4.4Å; L471-A565 HydrophobicContact CD1-CB 4.02Å; L471-A565 HydrophobicContact CD2-CB 4.01Å; L471-A565 HydrophobicContact CG-CB 3.83Å; M561-A565 PolarHBondContact O-N 3.11Å; F562-A565 WeakPolarHBondContact O-CB 3.31Å; F562-A565 PolarHBondContact O-N 3.26Å; F562-A565 VanDerWaalsContact O-N 3.13Å; A565-K567 VanDerWaalsContact C-N 3.33Å; A565-K567 PolarHBondContact O-N 3.46Å; A565-L568 PolarHBondContact O-N 3.1Å; A565-T569 PolarHBondContact O-N 3.47Å; A565-T569 PolarHBondContact O-OG1 3.31Å
566	L	94.5	Very high	89.9	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-41.9	177.5	-167.2	65.5	0	0	0	111.1	Y400 L447 L462 A466 F562 I563 K564 T569 V570	Y400-L566 HydrophobicContact CD1-CD2 3.97Å; Y400-L566 HydrophobicContact CE1-CD2 4.1Å; Y400-L566 HydrophobicContact CG-CD2 4.21Å; L447-L566 HydrophobicContact CD2-CB 4.03Å; L447-L566 HydrophobicContact CD2-CD2 3.64Å; L447-L566 HydrophobicContact CD2-CG 3.77Å; L462-L566 HydrophobicContact CB-CD1 3.71Å; A466-L566 HydrophobicContact CB-CB 4.38Å; A466-L566 HydrophobicContact CB-CD1 3.99Å; F562-L566 HydrophobicContact CE1-CB 4.41Å; F562-L566 HydrophobicContact CE1-CD1 4.45Å; F562-L566 WeakPolarHBondContact O-CB 3.3Å; F562-L566 PolarHBondContact O-N 3.32Å; I563-L566 PolarHBondContact O-N 3.46Å; K564-L566 VanDerWaalsContact C-N 3.33Å; L566-T569 WeakPolarHBondContact O-CB 3.46Å; L566-T569 PolarHBondContact O-N 3.07Å; L566-V570 WeakPolarHBondContact O-CG2 3.47Å; L566-V570 PolarHBondContact O-N 3.12Å
567	K	94.7	Very high	90	Very high	107 Å²	107	47.9 Å²	47.9	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-57.1	-50.7	173.3	-175.9	177.1	-179.8	176.8	0	112.7	L447 I563 K564 A565 T569 V570 D571	L447-K567 HydrophobicContact CD1-CB 4.05Å; L447-K567 HydrophobicContact CD1-CG 4.22Å; I563-K567 PolarHBondContact O-N 3.34Å; K564-K567 WeakPolarHBondContact O-CB 3.29Å; K564-K567 PolarHBondContact O-N 2.96Å; A565-K567 VanDerWaalsContact C-N 3.33Å; A565-K567 PolarHBondContact O-N 3.46Å; K567-T569 PolarHBondContact O-N 3.05Å; K567-V570 PolarHBondContact O-N 3.44Å; K567-V570 VanDerWaalsContact O-N 3.15Å; K567-D571 PolarHBondContact O-N 3.16Å
568	L	93.2	Very high	89.6	Confident	88 Å²	88	54.5 Å²	54.5	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-34.6	177.1	-67.2	173.6	0	0	0	112.5	Y470 K564 A565 A572	Y470-L568 HydrophobicContact CD1-CB 4.13Å; Y470-L568 HydrophobicContact CD1-CD1 3.72Å; Y470-L568 HydrophobicContact CE1-CB 3.66Å; Y470-L568 HydrophobicContact CE1-CD1 3.83Å; Y470-L568 HydrophobicContact CE1-CG 4.37Å; Y470-L568 HydrophobicContact CE2-CB 4.27Å; Y470-L568 PolarHBondContact OH-O 3.16Å; K564-L568 WeakPolarHBondContact O-CG 3.1Å; K564-L568 PolarHBondContact O-N 3.48Å; K564-L568 VanDerWaalsContact O-N 3.14Å; A565-L568 PolarHBondContact O-N 3.1Å; L568-A572 PolarHBondContact O-N 2.77Å; L568-A572 VanDerWaalsContact O-N 3.1Å
569	T	94	Very high	88.8	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-41.1	178.4	-50.9	0	0	0	0	111.5	L462 L465 A466 Y470 A565 L566 K567 A572 Q573	L462-T569 HydrophobicContact CD2-CG2 3.71Å; L465-T569 HydrophobicContact CB-CG2 3.64Å; L465-T569 HydrophobicContact CD1-CG2 4.44Å; A466-T569 WeakPolarHBondContact CA-OG1 3.48Å; A466-T569 WeakPolarHBondContact CB-OG1 3.36Å; Y470-T569 WeakPolarHBondContact CD2-OG1 3.42Å; Y470-T569 VanDerWaalsContact CE2-OG1 3.23Å; Y470-T569 WeakPolarHBondContact CE2-OG1 3.44Å; A565-T569 PolarHBondContact O-N 3.47Å; A565-T569 PolarHBondContact O-OG1 3.31Å; L566-T569 WeakPolarHBondContact O-CB 3.46Å; L566-T569 PolarHBondContact O-N 3.07Å; K567-T569 PolarHBondContact O-N 3.05Å; T569-A572 PolarHBondContact O-N 3.1Å; T569-Q573 WeakPolarHBondContact O-CG 3.36Å; T569-Q573 PolarHBondContact O-N 3.08Å
570	V	94.2	Very high	87.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-45.6	174.8	171.2	0	0	0	0	110.8	Y400 L447 S451 L462 L566 K567 A572 Q573 F574	Y400-V570 WeakPolarHBondContact OH-CG2 3.49Å; L447-V570 HydrophobicContact CD1-CB 4.09Å; L447-V570 HydrophobicContact CD1-CG1 4.38Å; L447-V570 HydrophobicContact CD1-CG2 3.9Å; S451-V570 WeakPolarHBondContact OG-CG1 3.13Å; S451-V570 WeakPolarHBondContact OG-CG2 3.44Å; L462-V570 HydrophobicContact CD1-CG2 3.67Å; L462-V570 HydrophobicContact CD2-CG2 4.36Å; L566-V570 WeakPolarHBondContact O-CG2 3.47Å; L566-V570 PolarHBondContact O-N 3.12Å; K567-V570 PolarHBondContact O-N 3.44Å; K567-V570 VanDerWaalsContact O-N 3.15Å; V570-A572 VanDerWaalsContact C-N 3.26Å; V570-A572 PolarHBondContact O-N 3.11Å; V570-Q573 PolarHBondContact O-N 2.91Å; V570-Q573 VanDerWaalsContact O-N 3.1Å; V570-F574 HydrophobicContact CG1-CD2 3.81Å; V570-F574 HydrophobicContact CG1-CE2 3.67Å; V570-F574 WeakPolarHBondContact O-CD2 3.4Å; V570-F574 PolarHBondContact O-N 2.65Å; V570-F574 VanDerWaalsContact O-N 3.09Å
571	D	92.5	Very high	86.4	Confident	56 Å²	56	62.2 Å²	62.2	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-41.4	177	-65.6	-23.6	0	0	0	111.4	H450 K567 T575	H450-D571 IonicContact CD2-OD1 3.98Å; H450-D571 IonicContact NE2-OD1 3.41Å; H450-D571 PolarHBondContact NE2-OD1 2.72Å; K567-D571 PolarHBondContact O-N 3.16Å; D571-T575 PolarHBondContact O-N 3.21Å; D571-T575 VanDerWaalsContact O-N 3.09Å; D571-T575 PolarHBondContact O-OG1 3.14Å
572	A	90.6	Very high	84.6	Confident	41 Å²	41	63.4 Å²	63.4	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-42.2	176.3	0	0	0	0	0	112.3	L568 T569 V570 T575 E576	L568-A572 PolarHBondContact O-N 2.77Å; L568-A572 VanDerWaalsContact O-N 3.1Å; T569-A572 PolarHBondContact O-N 3.1Å; V570-A572 VanDerWaalsContact C-N 3.26Å; V570-A572 PolarHBondContact O-N 3.11Å; A572-T575 WeakPolarHBondContact O-CB 3.47Å; A572-T575 PolarHBondContact O-N 3.32Å; A572-E576 PolarHBondContact O-N 3.1Å
573	Q	89.7	Confident	82.5	Confident	45 Å²	45	66.4 Å²	66.4	21%	0.21	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-43.5	178.1	-72.4	-59.5	-68.8	0	0	112.6	L462 T569 V570 T575 E576 L577	L462-Q573 HydrophobicContact CD2-CG 3.71Å; T569-Q573 WeakPolarHBondContact O-CG 3.36Å; T569-Q573 PolarHBondContact O-N 3.08Å; V570-Q573 PolarHBondContact O-N 2.91Å; V570-Q573 VanDerWaalsContact O-N 3.1Å; Q573-T575 PolarHBondContact O-N 3.09Å; Q573-T575 VanDerWaalsContact C-N 3.3Å; Q573-E576 PolarHBondContact O-N 3Å; Q573-L577 WeakPolarHBondContact O-CG 3.48Å; Q573-L577 PolarHBondContact O-N 3.25Å
574	F	89.7	Confident	80.3	Confident	40 Å²	40	70.2 Å²	70.2	18%	0.175	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-31.4	175.8	-79	-67.2	0	0	0	113.1	H450 L452 L454 V570 E576 L577 K578	H450-F574 WeakPolarHBondContact O-CE2 3.49Å; H450-F574 WeakPolarHBondContact O-CZ 3.49Å; L452-F574 WeakPolarHBondContact O-CZ 3.46Å; L454-F574 HydrophobicContact CD1-CE2 4.31Å; L454-F574 HydrophobicContact CD1-CZ 4.4Å; L454-F574 HydrophobicContact CD2-CE1 4.23Å; L454-F574 HydrophobicContact CD2-CZ 4.11Å; L454-F574 HydrophobicContact CG-CE2 4.34Å; L454-F574 HydrophobicContact CG-CZ 3.95Å; V570-F574 HydrophobicContact CG1-CD2 3.81Å; V570-F574 HydrophobicContact CG1-CE2 3.67Å; V570-F574 WeakPolarHBondContact O-CD2 3.4Å; V570-F574 PolarHBondContact O-N 2.65Å; V570-F574 VanDerWaalsContact O-N 3.09Å; F574-E576 VanDerWaalsContact C-N 3.34Å; F574-L577 HydrophobicContact CD1-CD1 4.23Å; F574-K578 WeakPolarHBondContact O-CG 3.22Å; F574-K578 PolarHBondContact O-N 3.44Å
575	T	85.9	Confident	77.9	Confident	97 Å²	97	68.4 Å²	68.4	60%	0.595	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-41.1	174.3	-55.8	0	0	0	0	110.8	D571 A572 Q573 S579	D571-T575 PolarHBondContact O-N 3.21Å; D571-T575 VanDerWaalsContact O-N 3.09Å; D571-T575 PolarHBondContact O-OG1 3.14Å; A572-T575 WeakPolarHBondContact O-CB 3.47Å; A572-T575 PolarHBondContact O-N 3.32Å; Q573-T575 PolarHBondContact O-N 3.09Å; Q573-T575 VanDerWaalsContact C-N 3.3Å; T575-S579 PolarHBondContact O-N 3.13Å; T575-S579 VanDerWaalsContact O-N 3.11Å
576	E	80.8	Confident	75.4	Confident	110 Å²	110	71.3 Å²	71.3	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-46.4	175.9	-167.1	172.3	-169.9	0	0	111.7	A572 Q573 F574 K578 S579 L580	A572-E576 PolarHBondContact O-N 3.1Å; Q573-E576 PolarHBondContact O-N 3Å; F574-E576 VanDerWaalsContact C-N 3.34Å; E576-K578 PolarHBondContact O-N 3.03Å; E576-S579 WeakPolarHBondContact O-CB 3.25Å; E576-S579 PolarHBondContact O-N 3Å; E576-S579 VanDerWaalsContact O-N 3.12Å; E576-S579 PolarHBondContact O-OG 2.97Å; E576-L580 PolarHBondContact O-N 3.4Å; E576-L580 VanDerWaalsContact O-N 3.1Å
577	L	77.2	Confident	72.5	Confident	80 Å²	80	80.5 Å²	80.5	42%	0.419	45%	0.452	S	S	.	.	H	α-helix	trans	-57.9	-47.4	176.3	-73	169.9	0	0	0	112.4	L454 Q573 F574 S579 L580 D581	L454-L577 HydrophobicContact CD2-CD1 4.05Å; Q573-L577 WeakPolarHBondContact O-CG 3.48Å; Q573-L577 PolarHBondContact O-N 3.25Å; F574-L577 HydrophobicContact CD1-CD1 4.23Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.23Å; L577-L580 PolarHBondContact O-N 2.84Å; L577-L580 VanDerWaalsContact O-N 3.16Å; L577-D581 VanDerWaalsContact O-N 3.1Å; L577-D581 PolarHBondContact O-N 2.94Å
578	K	76.3	Confident	69.3	Low	145 Å²	145	78.6 Å²	78.6	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-60.6	-36.2	176.6	-74.2	174.1	-177.6	173.9	0	112.4	F574 E576 L580 L582	F574-K578 WeakPolarHBondContact O-CG 3.22Å; F574-K578 PolarHBondContact O-N 3.44Å; E576-K578 PolarHBondContact O-N 3.03Å; K578-L580 VanDerWaalsContact C-N 3.35Å; K578-L582 WeakPolarHBondContact O-CD1 3.37Å; K578-L582 WeakPolarHBondContact O-CG 2.88Å; K578-L582 PolarHBondContact O-N 2.61Å; K578-L582 VanDerWaalsContact O-N 3.16Å
579	S	71.5	Confident	66	Low	66 Å²	66	86.5 Å²	86.5	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-35	178.4	79.4	0	0	0	0	112.6	T575 E576 L577 A583	T575-S579 PolarHBondContact O-N 3.13Å; T575-S579 VanDerWaalsContact O-N 3.11Å; E576-S579 WeakPolarHBondContact O-CB 3.25Å; E576-S579 PolarHBondContact O-N 3Å; E576-S579 VanDerWaalsContact O-N 3.12Å; E576-S579 PolarHBondContact O-OG 2.97Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.23Å; S579-A583 WeakPolarHBondContact O-CB 3.19Å; S579-A583 PolarHBondContact O-N 3.17Å; S579-A583 VanDerWaalsContact O-N 3.08Å
580	L	68.6	Low	62.8	Low	102 Å²	102	93.6 Å²	93.6	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-71.1	-40.1	176.8	-71.5	165.9	0	0	0	111.9	E576 L577 K578 L582 A583 S584	E576-L580 PolarHBondContact O-N 3.4Å; E576-L580 VanDerWaalsContact O-N 3.1Å; L577-L580 PolarHBondContact O-N 2.84Å; L577-L580 VanDerWaalsContact O-N 3.16Å; K578-L580 VanDerWaalsContact C-N 3.35Å; L580-L582 VanDerWaalsContact C-N 3.34Å; L580-L582 PolarHBondContact O-N 3.1Å; L580-A583 PolarHBondContact O-N 3.1Å; L580-S584 PolarHBondContact O-OG 3.29Å; L580-S584 PolarHBondContact O-N 2.89Å
581	D	60.4	Low	59.5	Low	94 Å²	94	100 Å²	100	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-38	175.9	-74.5	-21.5	0	0	0	112.5	L577 S584 S585	L577-D581 VanDerWaalsContact O-N 3.1Å; L577-D581 PolarHBondContact O-N 2.94Å; D581-S584 PolarHBondContact O-OG 3.17Å; D581-S585 WeakPolarHBondContact O-CB 2.94Å; D581-S585 PolarHBondContact O-N 3.39Å
582	L	51.9	Low	56.3	Low	132 Å²	132	100.6 Å²	100.6	69%	0.691	58%	0.582	S	S	*	*	H	α-helix	trans	-67.8	-37.4	174.1	-73.3	163.5	0	0	0	111.5	K578 L580 G586	K578-L582 WeakPolarHBondContact O-CD1 3.37Å; K578-L582 WeakPolarHBondContact O-CG 2.88Å; K578-L582 PolarHBondContact O-N 2.61Å; K578-L582 VanDerWaalsContact O-N 3.16Å; L580-L582 VanDerWaalsContact C-N 3.34Å; L580-L582 PolarHBondContact O-N 3.1Å; L582-G586 PolarHBondContact O-N 3.04Å
583	A	48.9	Very low	53.2	Low	62 Å²	62	105.6 Å²	105.6	51%	0.512	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-36.6	177.7	0	0	0	0	0	112.8	S579 L580 G586	S579-A583 WeakPolarHBondContact O-CB 3.19Å; S579-A583 PolarHBondContact O-N 3.17Å; S579-A583 VanDerWaalsContact O-N 3.08Å; L580-A583 PolarHBondContact O-N 3.1Å; A583-G586 PolarHBondContact O-N 3.01Å
584	S	46.1	Very low	50.2	Low	81 Å²	81	112.5 Å²	112.5	57%	0.566	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-37.4	176	66.7	0	0	0	0	111.7	L580 D581 G586 K587	L580-S584 PolarHBondContact O-OG 3.29Å; L580-S584 PolarHBondContact O-N 2.89Å; D581-S584 PolarHBondContact O-OG 3.17Å; S584-G586 VanDerWaalsContact C-N 3.25Å; S584-G586 PolarHBondContact O-N 3.25Å; S584-K587 PolarHBondContact O-N 3.42Å
585	S	43.1	Very low	47.1	Very low	81 Å²	81	121.1 Å²	121.1	57%	0.566	67%	0.672	S	S	*	*	H	α-helix	trans	-71.7	-15.8	176	-164.9	0	0	0	0	114.1	D581	D581-S585 WeakPolarHBondContact O-CB 2.94Å; D581-S585 PolarHBondContact O-N 3.39Å
586	G	39.4	Very low	44.2	Very low	66 Å²	66	123 Å²	123	68%	0.68	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-12.1	178.2	0	0	0	0	0	115.3	L582 A583 S584	L582-G586 PolarHBondContact O-N 3.04Å; A583-G586 PolarHBondContact O-N 3.01Å; S584-G586 VanDerWaalsContact C-N 3.25Å; S584-G586 PolarHBondContact O-N 3.25Å
587	K	33.3	Very low	41.6	Very low	193 Å²	193	124.8 Å²	124.8	84%	0.839	69%	0.692	S	S	*	*	S	Bend	trans	-123.8	89.3	-179.8	-76.3	-177	176.2	-179.6	0	110.5	S584	S584-K587 PolarHBondContact O-N 3.42Å
588	G	29.2	Very low	39.2	Very low	68 Å²	68	128.1 Å²	128.1	70%	0.701	71%	0.709	S	S	*	*			trans	139.3	93.7	163.3	0	0	0	0	0	114.8	L590	G588-L590 PolarHBondContact O-N 2.84Å; G588-L590 VanDerWaalsContact O-N 3.11Å
589	R	23.4	Very low	36.7	Very low	254 Å²	254	130.8 Å²	130.8	96%	0.958	72%	0.721	S	S	*	*			trans	-78.3	70.8	158.4	-166.1	-177.8	-164.2	177.4	4.1	108.2
590	L	26	Very low	34.5	Very low	152 Å²	152	139 Å²	139	80%	0.796	74%	0.743	S	S	*	*			trans	-142.5	112.3	171.1	-78.5	172	0	0	0	110.8	G588	G588-L590 PolarHBondContact O-N 2.84Å; G588-L590 VanDerWaalsContact O-N 3.11Å
591	T	26.3	Very low	32.5	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	78%	0.775	S	S	*	*			trans	48.3	124.6	152.3	57.3	0	0	0	0	119.9
592	G	24.2	Very low	31.1	Very low	69 Å²	69	146 Å²	146	71%	0.711	79%	0.789	S	S	*	*			trans	-61.4	176.5	179.1	0	0	0	0	0	115.2
593	V	26.4	Very low	30.1	Very low	146 Å²	146	146.7 Å²	146.7	89%	0.885	79%	0.794	S	S	*	*			trans	87.7	69.5	-172.9	-162.2	0	0	0	0	113.6
594	Q	26.5	Very low	29	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	81%	0.81	S	S	*	*			trans	178.5	52.6	145.8	-99.5	176.7	17.9	0	0	110.8
595	R	24.9	Very low	28	Very low	221 Å²	221	155.6 Å²	155.6	83%	0.834	82%	0.824	S	S	*	*			trans	-122.7	69	170.2	-87	-174.6	172.3	173.1	-2.1	108.6
596	T	25.1	Very low	27.1	Very low	135 Å²	135	160.3 Å²	160.3	83%	0.828	84%	0.84	S	S	*	*			trans	-147.7	25.5	179.7	10.5	0	0	0	0	114.2
597	E	25.8	Very low	26.2	Very low	149 Å²	149	166.5 Å²	166.5	70%	0.696	85%	0.851	S	S	*	*	S	Bend	trans	-143.2	93.4	170.6	-87.5	178.8	-168.8	0	0	108.3	T371	T371-E597 PolarHBondContact OG1-OE1 2.91Å
598	L	26.1	Very low	25.7	Very low	150 Å²	150	164.6 Å²	164.6	79%	0.785	85%	0.852	S	S	*	*	S	Bend	trans	171.3	1.6	165.1	-97	159.8	0	0	0	112.4	Y600	L598-Y600 VanDerWaalsContact C-N 3.3Å; L598-Y600 PolarHBondContact O-N 3.27Å
599	K	24.2	Very low	25.5	Very low	201 Å²	201	172.1 Å²	172.1	87%	0.874	86%	0.863	S	S	*	*			trans	-91.1	58.8	166.1	-81.4	-171.1	174.5	-176.7	0	111.5
600	Y	24.2	Very low	25.7	Very low	238 Å²	238	165.3 Å²	165.3	93%	0.933	86%	0.856	S	S	*	*			trans	-145	94.7	154.3	-85.7	-75.2	0	0	0	106.7	L598	L598-Y600 VanDerWaalsContact C-N 3.3Å; L598-Y600 PolarHBondContact O-N 3.27Å
601	T	28.2	Very low	25.6	Very low	197 Å²	197	166.5 Å²	166.5	100%	1.209	86%	0.861	S	S	*	*			trans	-118.3	0	162.3	43.8	0	0	0	0	107

Retrieved 601 of 601 residues in 1277.9 ms (Link to these results)

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